#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppb s LYS 3 N 0.00 0.62 -0.01 1.97 -2.85 -1.26 -5.02 119.74 113.19 2ppb s LYS 3 Ca 0.00 1.25 -0.20 0.00 -1.00 0.00 0.00 55.97 56.01 2ppb s LYS 3 Cb 0.00 -1.70 -0.05 0.00 -2.06 0.00 0.00 37.83 34.01 2ppb s LYS 3 CO 0.00 -2.80 0.59 -2.00 0.10 0.00 0.00 175.35 171.23 2ppb s GLU 4 N -4.65 4.32 -0.55 1.78 2.12 -1.26 -5.03 118.70 115.43 2ppb s GLU 4 Ca 0.66 0.72 -0.28 0.00 0.36 0.00 0.00 54.97 56.43 2ppb s GLU 4 Cb -0.22 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 30.84 2ppb s GLU 4 CO 0.59 0.35 1.29 0.08 -0.54 0.00 0.00 175.26 177.03 2ppb s VAL 5 N -0.11 3.94 -0.02 3.70 1.01 -1.26 -4.84 120.40 122.82 2ppb s VAL 5 Ca 0.31 0.86 0.13 0.00 0.00 0.00 0.00 61.98 63.28 2ppb s VAL 5 Cb -0.18 -4.57 -0.21 0.00 0.00 0.00 0.00 36.38 31.43 2ppb s VAL 5 CO 0.17 -1.19 0.28 0.54 0.00 0.00 0.00 175.10 174.89 2ppb n ARG 6 N 8.42 0.50 -3.77 2.72 1.74 -1.26 -4.98 116.66 120.03 2ppb n ARG 6 Ca 0.11 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2ppb n ARG 6 Cb 0.49 -1.32 -0.13 0.00 -1.02 0.00 0.00 32.46 30.48 2ppb n ARG 6 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ppb s LYS 7 N -2.90 0.19 0.22 5.56 1.02 -1.26 -3.04 119.74 119.53 2ppb s LYS 7 Ca -0.05 0.37 0.08 0.00 0.02 0.00 0.00 55.97 56.39 2ppb s LYS 7 Cb 0.08 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2ppb s LYS 7 CO 0.56 -0.10 0.07 0.08 -0.92 0.00 0.00 175.35 175.04 2ppb s VAL 8 N 0.71 3.94 -0.21 3.17 1.01 -1.24 -4.85 120.40 122.94 2ppb s VAL 8 Ca -0.05 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 2ppb s VAL 8 Cb -0.07 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.33 2ppb s VAL 8 CO -0.04 -0.25 0.48 -0.60 0.00 0.00 0.00 175.10 174.69 2ppb s ARG 9 N -3.42 0.42 -0.09 2.72 3.00 -1.25 -0.66 118.95 119.67 2ppb s ARG 9 Ca 0.30 1.04 -0.18 0.00 -1.00 0.00 0.00 55.73 55.90 2ppb s ARG 9 Cb -0.08 0.28 -0.05 0.00 0.00 0.00 0.00 34.95 35.10 2ppb s ARG 9 CO 0.21 -0.21 0.48 0.42 0.00 0.00 0.00 175.30 176.21 2ppb s ILE 10 N 2.19 5.13 0.01 4.11 1.01 -1.25 -4.92 121.20 127.49 2ppb s ILE 10 Ca -0.05 0.98 -0.03 0.00 0.00 0.00 0.00 60.65 61.55 2ppb s ILE 10 Cb -0.10 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2ppb s ILE 10 CO -0.14 0.37 0.04 0.00 0.00 0.00 0.00 174.94 175.20 2ppb s ALA 11 N 0.29 -0.05 1.01 9.38 0.00 -1.26 -3.74 121.76 127.39 2ppb s ALA 11 Ca 0.26 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2ppb s ALA 11 Cb -0.16 0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.30 2ppb s ALA 11 CO 0.12 -0.18 1.10 -0.51 0.00 0.00 0.00 175.76 176.28 2ppb s LEU 12 N -1.46 2.09 -0.24 0.00 1.43 -1.26 -4.95 118.68 114.29 2ppb s LEU 12 Ca -0.15 1.95 -0.14 0.00 -1.03 0.00 0.00 54.13 54.76 2ppb s LEU 12 Cb -0.09 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2ppb s LEU 12 CO -0.00 -3.53 0.31 0.00 0.23 0.00 0.00 176.35 173.36 2ppb s ALA 13 N -2.58 3.57 0.00 4.21 0.00 -1.26 -5.06 121.76 120.65 2ppb s ALA 13 Ca 0.67 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 2ppb s ALA 13 Cb -0.24 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2ppb s ALA 13 CO 0.60 -0.44 0.86 -1.12 0.00 0.00 0.00 175.76 175.67 2ppb s SER 14 N 1.35 7.25 0.40 0.00 0.01 -1.26 -4.73 113.70 116.73 2ppb s SER 14 Ca 0.13 1.51 0.23 0.00 1.31 0.00 0.00 55.95 59.13 2ppb s SER 14 Cb -0.15 -2.51 1.25 0.00 0.21 0.00 0.00 66.02 64.82 2ppb s SER 14 CO 0.08 -0.15 1.67 -0.65 0.41 0.00 0.00 173.24 174.61 2ppb h PRO 15 N 6.43 0.22 -0.29 12.44 0.11 -1.94 1.20 132.00 150.17 2ppb h PRO 15 Ca -0.42 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 2ppb h PRO 15 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2ppb h PRO 15 CO 0.74 0.15 -0.15 1.05 -0.21 0.00 0.00 178.00 179.57 2ppb h GLU 16 N 0.23 0.51 -0.22 1.05 4.11 -2.00 -2.36 114.58 115.91 2ppb h GLU 16 Ca 0.74 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.88 2ppb h GLU 16 Cb 2.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 2ppb h GLU 16 CO -0.44 0.65 -0.42 -0.22 0.07 0.00 0.00 179.01 178.66 2ppb h LYS 17 N 0.47 0.52 -0.46 1.06 3.64 0.10 0.29 116.57 122.19 2ppb h LYS 17 Ca 0.08 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2ppb h LYS 17 Cb 0.54 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 2ppb h LYS 17 CO 0.03 0.85 0.04 0.82 -2.27 0.00 0.00 179.45 178.92 2ppb h ILE 18 N 0.43 0.69 -0.35 2.00 1.08 -0.67 0.70 117.51 121.39 2ppb h ILE 18 Ca 0.03 -0.05 -0.14 0.00 -0.39 0.00 0.00 64.86 64.31 2ppb h ILE 18 Cb 0.91 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2ppb h ILE 18 CO 0.08 0.03 -0.33 0.03 -0.69 0.00 0.00 178.15 177.27 2ppb h ARG 19 N 0.16 0.78 -0.45 2.37 2.47 -1.18 -2.36 114.38 116.17 2ppb h ARG 19 Ca 0.23 -0.37 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 2ppb h ARG 19 Cb 0.32 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 2ppb h ARG 19 CO -0.35 1.00 0.27 1.03 0.56 0.00 0.00 179.97 182.48 2ppb h SER 20 N 0.66 0.43 1.25 7.04 0.87 0.11 -0.36 113.55 123.55 2ppb h SER 20 Ca 0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2ppb h SER 20 Cb 0.87 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2ppb h SER 20 CO 0.08 0.31 -0.02 -0.50 -0.53 0.00 0.00 176.83 176.17 2ppb h TRP 21 N 0.54 0.00 -3.40 2.24 6.55 -0.90 -3.44 115.95 117.53 2ppb h TRP 21 Ca 0.18 0.00 -0.52 0.00 0.95 0.00 0.00 58.89 59.50 2ppb h TRP 21 Cb 0.01 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.33 2ppb h TRP 21 CO -0.07 0.02 0.58 0.45 -1.05 0.00 0.00 178.44 178.36 2ppb s SER 22 N -5.85 7.05 -0.37 -3.49 0.15 -0.14 -4.05 113.70 107.00 2ppb s SER 22 Ca 0.02 2.22 -0.01 0.00 0.70 0.00 0.00 55.95 58.89 2ppb s SER 22 Cb 0.08 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.89 2ppb s SER 22 CO 0.58 -0.42 0.13 -0.31 1.20 0.00 0.00 173.24 174.42 2ppb s TYR 23 N 0.21 3.60 0.08 3.44 1.51 0.40 -4.95 117.35 121.65 2ppb s TYR 23 Ca 0.55 -2.54 0.00 0.00 -1.01 0.00 0.00 57.07 54.07 2ppb s TYR 23 Cb -0.33 -2.99 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 2ppb s TYR 23 CO 0.35 -0.95 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 2ppb n GLY 24 N 4.49 -2.77 3.08 0.71 0.00 -1.26 -4.17 105.19 105.26 2ppb n GLY 24 Ca -0.02 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 2ppb n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 25 N -3.39 2.43 -0.51 1.61 -6.30 -1.26 -2.07 118.70 109.21 2ppb s GLU 25 Ca 0.00 -1.18 -0.28 0.00 -2.50 0.00 0.00 54.97 51.02 2ppb s GLU 25 Cb 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 34.13 31.35 2ppb s GLU 25 CO 0.00 -0.46 1.62 0.08 0.02 0.00 0.00 175.26 176.51 2ppb s VAL 26 N 1.17 3.61 -1.82 3.70 1.01 -1.15 -4.79 120.40 122.13 2ppb s VAL 26 Ca -0.05 0.52 0.15 0.00 0.00 0.00 0.00 61.98 62.60 2ppb s VAL 26 Cb -0.18 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.21 2ppb s VAL 26 CO -0.07 -0.90 0.97 -1.84 0.00 0.00 0.00 175.10 173.26 2ppb n GLU 27 N 8.70 1.08 -3.80 2.72 0.28 -1.26 -4.67 120.64 123.69 2ppb n GLU 27 Ca 0.17 -1.39 -0.13 0.00 -0.16 0.00 0.00 57.16 55.65 2ppb n GLU 27 Cb 0.49 -1.28 -0.12 0.00 1.43 0.00 0.00 31.44 31.96 2ppb n GLU 27 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2ppb s LYS 28 N -1.22 0.25 -0.79 3.44 3.01 -1.26 -5.01 119.74 118.16 2ppb s LYS 28 Ca 0.17 0.28 -0.10 0.00 -1.01 0.00 0.00 55.97 55.31 2ppb s LYS 28 Cb 0.12 0.12 -0.08 0.00 -1.01 0.00 0.00 37.83 36.99 2ppb s LYS 28 CO 0.18 -0.03 1.96 -0.35 0.51 0.00 0.00 175.35 177.63 2ppb n PRO 29 N 2.93 1.74 -3.97 -1.68 -0.04 -1.26 -3.75 135.00 128.96 2ppb n PRO 29 Ca -0.13 -1.47 -0.30 0.00 -0.04 0.00 0.00 63.50 61.56 2ppb n PRO 29 Cb 0.58 -2.53 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 2ppb n PRO 29 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2ppb s GLU 30 N 3.99 1.82 0.00 0.54 0.41 -1.26 -5.00 118.70 119.20 2ppb s GLU 30 Ca 0.41 -2.40 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 2ppb s GLU 30 Cb 0.10 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 2ppb s GLU 30 CO 0.01 -1.06 0.23 2.41 -0.49 0.00 0.00 175.26 176.36 2ppb n THR 31 N 3.46 0.00 -3.67 3.63 -1.04 -1.26 -3.39 114.28 112.01 2ppb n THR 31 Ca 0.05 0.73 -0.09 0.00 -2.04 0.00 0.00 64.05 62.69 2ppb n THR 31 Cb 0.35 -1.68 -0.09 0.00 -1.82 0.00 0.00 70.33 67.09 2ppb n THR 31 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2ppb s ILE 32 N -0.45 -0.05 -0.47 12.58 1.01 -1.26 -3.50 121.20 129.05 2ppb s ILE 32 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 2ppb s ILE 32 Cb 0.00 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.75 2ppb s ILE 32 CO 0.00 0.02 0.72 0.20 0.00 0.00 0.00 174.94 175.89 2ppb s ASN 33 N 1.55 6.32 0.05 3.58 -0.87 -1.22 -4.89 114.94 119.48 2ppb s ASN 33 Ca -0.09 -0.41 -0.09 0.00 -1.57 0.00 0.00 52.86 50.70 2ppb s ASN 33 Cb -0.07 -2.35 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 2ppb s ASN 33 CO -0.15 -0.91 0.47 0.00 -2.57 0.00 0.00 177.10 173.94 2ppb n TYR 34 N 6.55 -0.10 -0.33 2.20 -0.00 -1.26 -1.41 117.16 122.80 2ppb n TYR 34 Ca -0.01 0.38 0.11 0.00 -0.00 0.00 0.00 57.90 58.38 2ppb n TYR 34 Cb 0.47 -0.55 0.22 0.00 -0.00 0.00 0.00 39.34 39.49 2ppb n TYR 34 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 2ppb n ARG 35 N -4.40 -0.08 -3.96 -3.48 1.85 -1.26 -3.63 116.66 101.70 2ppb n ARG 35 Ca 0.01 1.45 -0.29 0.00 -1.00 0.00 0.00 57.85 58.02 2ppb n ARG 35 Cb 0.09 -2.25 -0.16 0.00 -1.05 0.00 0.00 32.46 29.09 2ppb n ARG 35 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2ppb s THR 36 N -6.04 1.41 -1.14 8.89 -4.23 -0.50 -5.01 115.64 109.02 2ppb s THR 36 Ca -0.13 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2ppb s THR 36 Cb 0.27 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.61 2ppb s THR 36 CO 0.74 0.21 0.02 0.18 -0.54 0.00 0.00 174.62 175.23 2ppb n LEU 37 N 4.78 0.04 -4.89 4.79 4.77 -1.24 -4.09 117.00 121.15 2ppb n LEU 37 Ca -0.14 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.53 2ppb n LEU 37 Cb 0.48 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2ppb n LEU 37 CO 0.19 0.01 0.33 -0.54 -1.33 0.00 0.00 177.39 176.05 2ppb s LYS 38 N -1.14 3.69 0.26 3.23 1.02 -1.26 -4.91 119.74 120.63 2ppb s LYS 38 Ca 0.00 0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.92 2ppb s LYS 38 Cb 0.00 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.67 2ppb s LYS 38 CO 0.00 0.06 1.26 -2.30 -0.92 0.00 0.00 175.35 173.45 2ppb n PRO 39 N -1.25 1.79 0.00 -1.68 -0.02 -1.26 -3.39 135.00 129.18 2ppb n PRO 39 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2ppb n PRO 39 Cb 0.54 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2ppb n PRO 39 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2ppb n GLU 40 N 1.39 0.00 0.00 -0.52 4.07 -1.23 -4.81 120.64 119.53 2ppb n GLU 40 Ca 0.10 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2ppb n GLU 40 Cb 0.32 -0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.63 2ppb n GLU 40 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2ppb n ARG 41 N 0.00 3.49 0.08 5.31 -4.01 -1.26 -4.91 116.66 115.36 2ppb n ARG 41 Ca 0.00 0.00 0.18 0.00 -1.04 0.00 0.00 57.85 56.99 2ppb n ARG 41 Cb 0.00 0.00 0.71 0.00 -3.04 0.00 0.00 32.46 30.13 2ppb n ARG 41 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2ppb h ASP 42 N 0.00 0.00 0.00 2.89 3.58 -1.91 -3.37 116.42 117.61 2ppb h ASP 42 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ppb h ASP 42 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ppb h ASP 42 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2ppb n GLY 43 N -1.58 0.00 0.23 -0.78 0.00 -1.25 -3.91 105.19 97.91 2ppb n GLY 43 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2ppb n GLY 43 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2ppb h LEU 44 N 0.00 0.00 -2.58 0.99 -0.00 -1.64 -3.21 115.31 108.87 2ppb h LEU 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ppb h LEU 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ppb h LEU 44 CO 0.00 0.17 0.00 0.49 -0.00 0.00 0.00 178.44 179.10 2ppb n PHE 45 N -4.10 0.29 -1.63 0.17 3.72 -1.26 -4.69 117.46 109.96 2ppb n PHE 45 Ca -0.02 -0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 56.60 2ppb n PHE 45 Cb 0.25 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 2ppb n PHE 45 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ppb n ASP 46 N 0.35 0.98 0.14 4.37 2.03 -1.21 -4.71 116.55 118.50 2ppb n ASP 46 Ca 0.08 0.83 0.12 0.00 0.52 0.00 0.00 54.79 56.35 2ppb n ASP 46 Cb 0.35 -1.41 0.18 0.00 -0.72 0.00 0.00 41.12 39.53 2ppb n ASP 46 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2ppb h GLU 47 N 0.63 0.00 0.05 -0.67 9.09 -1.91 -2.99 114.58 118.78 2ppb h GLU 47 Ca -0.48 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.92 2ppb h GLU 47 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2ppb h GLU 47 CO 0.52 0.00 -0.02 -0.09 0.05 0.00 0.00 179.01 179.46 2ppb h ARG 48 N 0.00 -0.07 -0.13 1.06 2.43 -1.91 0.90 114.38 116.67 2ppb h ARG 48 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2ppb h ARG 48 Cb 0.90 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2ppb h ARG 48 CO 0.00 0.56 0.10 0.82 -1.51 0.00 0.00 179.97 179.94 2ppb h ILE 49 N -0.82 0.82 0.00 1.20 2.04 -1.74 -3.36 117.51 115.65 2ppb h ILE 49 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2ppb h ILE 49 Cb 0.65 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2ppb h ILE 49 CO 0.01 0.00 -0.64 0.49 0.00 0.00 0.00 178.15 178.02 2ppb n PHE 50 N -4.33 -0.11 0.00 1.37 0.99 -1.13 -4.35 117.46 109.90 2ppb n PHE 50 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2ppb n PHE 50 Cb 0.22 0.10 0.00 0.00 -1.00 0.00 0.00 39.48 38.80 2ppb n PHE 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ppb n GLY 51 N 2.80 -0.31 3.57 1.37 0.00 0.31 -3.19 105.19 109.75 2ppb n GLY 51 Ca 0.00 -1.24 -0.49 0.00 0.00 0.00 0.00 46.02 44.29 2ppb n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 52 N -0.89 1.64 0.26 1.61 -0.02 -1.26 -4.31 135.00 132.03 2ppb n PRO 52 Ca 0.00 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.18 2ppb n PRO 52 Cb 0.00 -2.66 0.85 0.00 -0.02 0.00 0.00 33.50 31.67 2ppb n PRO 52 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ppb h ILE 53 N 6.44 0.00 -2.05 4.25 6.09 -1.91 -3.38 117.51 126.96 2ppb h ILE 53 Ca -0.38 -0.20 -0.57 0.00 -1.37 0.00 0.00 64.86 62.33 2ppb h ILE 53 Cb 1.29 1.09 -0.10 0.00 0.47 0.00 0.00 36.82 39.57 2ppb h ILE 53 CO 0.98 0.00 -0.62 -0.75 -3.07 0.00 0.00 178.15 174.69 2ppb s LYS 54 N -3.79 2.21 0.00 2.19 2.47 -1.26 -4.88 119.74 116.68 2ppb s LYS 54 Ca -0.01 -1.57 0.00 0.00 -1.56 0.00 0.00 55.97 52.83 2ppb s LYS 54 Cb 0.10 -2.07 0.00 0.00 -1.46 0.00 0.00 37.83 34.40 2ppb s LYS 54 CO 0.42 0.24 0.00 -0.25 0.16 0.00 0.00 175.35 175.92 2ppb n ASP 55 N -0.95 0.00 -0.04 1.43 9.92 -1.26 -3.05 116.55 122.60 2ppb n ASP 55 Ca -0.05 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.25 2ppb n ASP 55 Cb 0.61 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.92 2ppb n ASP 55 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2ppb n TYR 56 N 0.00 0.00 -1.05 1.24 4.02 -1.26 -2.81 117.16 117.30 2ppb n TYR 56 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 2ppb n TYR 56 Cb 0.00 -0.66 0.13 0.00 -0.02 0.00 0.00 39.34 38.80 2ppb n TYR 56 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2ppb s GLU 57 N -3.17 1.55 0.00 -0.72 2.12 -1.26 -4.70 118.70 112.52 2ppb s GLU 57 Ca -0.09 1.71 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2ppb s GLU 57 Cb 0.11 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.73 2ppb s GLU 57 CO 0.87 -2.27 0.00 0.00 -0.54 0.00 0.00 175.26 173.32 2ppb n ALA 59 N -3.00 -0.23 0.11 0.00 0.00 -1.26 -4.35 120.51 111.77 2ppb n ALA 59 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ppb n ALA 59 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ppb n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppb n GLY 61 N 1.28 0.95 0.17 0.00 0.00 -1.26 -5.01 105.19 101.32 2ppb n GLY 61 Ca -0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2ppb n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ppb h LYS 62 N 0.00 0.51 -4.95 1.61 1.79 -1.94 -3.41 116.57 110.18 2ppb h LYS 62 Ca 0.00 -0.08 -0.67 0.00 -2.18 0.00 0.00 60.65 57.72 2ppb h LYS 62 Cb 0.00 -0.09 -0.32 0.00 -1.58 0.00 0.00 32.23 30.24 2ppb h LYS 62 CO 0.00 0.47 -0.76 0.71 -1.08 0.00 0.00 179.45 178.79 2ppb s TYR 63 N -5.66 2.99 0.00 -1.35 1.51 -1.26 -5.05 117.35 108.53 2ppb s TYR 63 Ca -0.13 -1.46 0.00 0.00 -1.01 0.00 0.00 57.07 54.47 2ppb s TYR 63 Cb 0.10 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 2ppb s TYR 63 CO 0.74 -0.71 0.41 1.17 -1.11 0.00 0.00 175.55 176.04 2ppb n LYS 64 N 4.68 -0.64 0.00 -0.62 4.81 -1.26 -3.54 118.16 121.58 2ppb n LYS 64 Ca -0.18 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 56.86 2ppb n LYS 64 Cb 0.48 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.63 2ppb n LYS 64 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2ppb n ARG 65 N -0.02 3.17 -0.01 1.64 3.00 -1.26 -3.98 116.66 119.19 2ppb n ARG 65 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 2ppb n ARG 65 Cb 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.38 2ppb n ARG 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ppb n GLN 66 N 0.00 0.65 -0.28 -0.14 0.00 -1.26 -4.48 117.38 111.87 2ppb n GLN 66 Ca 0.00 0.03 0.09 0.00 -0.00 0.00 0.00 57.00 57.13 2ppb n GLN 66 Cb 0.00 -1.65 0.23 0.00 0.00 0.00 0.00 30.24 28.82 2ppb n GLN 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2ppb h ARG 67 N 0.00 0.21 -1.19 3.69 9.65 -2.02 -0.97 114.38 123.75 2ppb h ARG 67 Ca -0.21 -0.01 -0.66 0.00 -1.10 0.00 0.00 59.98 57.99 2ppb h ARG 67 Cb 1.57 -0.05 -0.33 0.00 -1.39 0.00 0.00 29.97 29.77 2ppb h ARG 67 CO 0.03 0.14 0.39 1.97 2.80 0.00 0.00 179.97 185.29 2ppb n PHE 68 N -5.22 3.09 0.17 2.20 1.16 -1.26 -4.82 117.46 112.78 2ppb n PHE 68 Ca 0.18 -2.72 0.18 0.00 -1.87 0.00 0.00 57.45 53.22 2ppb n PHE 68 Cb 0.57 -1.03 0.80 0.00 -1.61 0.00 0.00 39.48 38.21 2ppb n PHE 68 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 2ppb h GLU 69 N 2.30 0.00 -0.20 3.97 4.11 -1.40 -2.95 114.58 120.42 2ppb h GLU 69 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2ppb h GLU 69 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2ppb h GLU 69 CO 1.31 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.80 2ppb n GLY 70 N -1.43 1.08 3.88 1.06 0.00 -1.26 -3.86 105.19 104.66 2ppb n GLY 70 Ca 0.03 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 2ppb n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ppb s LYS 71 N -1.29 3.17 0.01 1.61 0.00 -1.12 -4.95 119.74 117.17 2ppb s LYS 71 Ca 0.25 -0.84 -0.02 0.00 0.00 0.00 0.00 55.97 55.36 2ppb s LYS 71 Cb 0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 37.83 35.19 2ppb s LYS 71 CO 0.23 0.45 0.18 0.54 0.00 0.00 0.00 175.35 176.75 2ppb s VAL 72 N -1.93 5.38 -0.01 1.79 0.11 -1.26 -4.50 120.40 119.98 2ppb s VAL 72 Ca 0.33 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 2ppb s VAL 72 Cb -0.09 -3.54 -0.06 0.00 -1.53 0.00 0.00 36.38 31.15 2ppb s VAL 72 CO 0.26 0.27 1.59 0.00 -3.33 0.00 0.00 175.10 173.90 2ppb h GLU 74 N 8.77 0.29 -0.00 0.00 3.07 -1.98 -1.15 114.58 123.57 2ppb h GLU 74 Ca -0.40 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 2ppb h GLU 74 Cb 1.18 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2ppb h GLU 74 CO 0.94 0.19 -0.56 0.54 -1.40 0.00 0.00 179.01 178.72 2ppb n ARG 75 N -5.13 0.41 -3.74 2.33 1.74 -1.26 -4.88 116.66 106.13 2ppb n ARG 75 Ca 0.16 -0.29 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 2ppb n ARG 75 Cb 0.50 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2ppb n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ppb s GLY 77 N 1.01 1.40 -0.31 0.00 0.00 -1.25 -2.49 107.32 105.68 2ppb s GLY 77 Ca -0.07 -2.44 -0.03 0.00 0.00 0.00 0.00 44.72 42.18 2ppb s GLY 77 CO -0.07 2.64 0.15 0.14 0.00 0.00 0.00 173.10 175.95 2ppb s VAL 78 N 4.61 0.12 0.13 1.40 1.01 -1.26 -4.93 120.40 121.48 2ppb s VAL 78 Ca 0.47 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 2ppb s VAL 78 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 2ppb s VAL 78 CO -0.06 -0.78 0.70 -0.70 0.00 0.00 0.00 175.10 174.26 2ppb s GLU 79 N 1.79 4.43 -0.01 2.72 2.12 -1.26 -4.12 118.70 124.37 2ppb s GLU 79 Ca 0.11 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.44 2ppb s GLU 79 Cb -0.18 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2ppb s GLU 79 CO -0.27 0.58 0.01 0.08 -0.54 0.00 0.00 175.26 175.12 2ppb s VAL 80 N -1.08 0.01 0.00 3.70 1.01 -1.25 -4.88 120.40 117.91 2ppb s VAL 80 Ca 0.33 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2ppb s VAL 80 Cb -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2ppb s VAL 80 CO 0.23 0.04 0.00 0.41 0.00 0.00 0.00 175.10 175.78 2ppb n THR 81 N 3.44 0.00 -0.36 3.92 -1.04 -1.26 -4.74 114.28 114.24 2ppb n THR 81 Ca -0.17 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.75 2ppb n THR 81 Cb 0.57 -0.03 0.08 0.00 -1.82 0.00 0.00 70.33 69.13 2ppb n THR 81 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2ppb n LYS 82 N -0.00 -2.21 0.00 -2.82 5.02 -1.24 -4.10 118.16 112.81 2ppb n LYS 82 Ca 0.00 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 2ppb n LYS 82 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2ppb n LYS 82 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2ppb n SER 83 N -3.67 0.00 0.22 4.39 7.64 -1.12 -1.72 113.62 119.35 2ppb n SER 83 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.98 2ppb n SER 83 Cb 0.17 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.86 2ppb n SER 83 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2ppb h ILE 84 N 0.00 1.00 0.00 0.44 3.07 -1.85 0.29 117.51 120.47 2ppb h ILE 84 Ca 0.00 -0.94 -0.00 0.00 1.55 0.00 0.00 64.86 65.47 2ppb h ILE 84 Cb 0.00 1.54 -0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2ppb h ILE 84 CO 0.00 0.25 -0.00 -0.37 -1.05 0.00 0.00 178.15 176.98 2ppb h VAL 85 N 0.00 0.03 -0.24 0.16 -1.51 -1.62 -0.45 116.25 112.63 2ppb h VAL 85 Ca -0.00 -0.09 -0.19 0.00 -1.23 0.00 0.00 66.70 65.19 2ppb h VAL 85 Cb 0.51 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2ppb h VAL 85 CO 0.03 0.00 -0.60 -0.09 -1.23 0.00 0.00 177.57 175.69 2ppb h ARG 86 N 0.00 0.78 0.00 5.19 2.43 -0.37 -2.73 114.38 119.68 2ppb h ARG 86 Ca -0.00 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2ppb h ARG 86 Cb 0.09 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2ppb h ARG 86 CO 0.00 1.15 -0.49 -2.13 -1.51 0.00 0.00 179.97 176.98 2ppb n ARG 87 N -3.98 0.12 -0.03 0.20 0.63 -0.32 -4.03 116.66 109.25 2ppb n ARG 87 Ca -0.05 0.04 0.03 0.00 -0.92 0.00 0.00 57.85 56.95 2ppb n ARG 87 Cb 0.65 -1.58 -0.16 0.00 0.45 0.00 0.00 32.46 31.82 2ppb n ARG 87 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2ppb n TYR 88 N -1.76 0.10 -2.59 -0.14 0.53 -0.36 -4.72 117.16 108.22 2ppb n TYR 88 Ca 0.05 0.03 -0.37 0.00 -1.02 0.00 0.00 57.90 56.59 2ppb n TYR 88 Cb 0.38 -0.73 -0.05 0.00 -1.03 0.00 0.00 39.34 37.92 2ppb n TYR 88 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2ppb s ARG 89 N -3.12 4.25 0.19 -0.72 0.52 -1.03 -4.98 118.95 114.06 2ppb s ARG 89 Ca -0.08 1.48 0.10 0.00 -0.52 0.00 0.00 55.73 56.70 2ppb s ARG 89 Cb 0.11 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2ppb s ARG 89 CO 0.87 -0.06 -0.12 -1.64 0.02 0.00 0.00 175.30 174.37 2ppb s MET 90 N -2.43 1.96 0.17 3.54 -1.94 -1.26 -4.30 119.30 115.04 2ppb s MET 90 Ca 0.56 -1.36 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2ppb s MET 90 Cb -0.21 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.50 2ppb s MET 90 CO 0.27 0.42 -0.13 0.20 -0.01 0.00 0.00 175.02 175.77 2ppb s GLY 91 N -2.90 1.21 0.07 -0.03 0.00 -1.24 0.15 107.32 104.59 2ppb s GLY 91 Ca 0.25 -1.53 0.08 0.00 0.00 0.00 0.00 44.72 43.52 2ppb s GLY 91 CO 0.15 -1.62 -0.21 -2.38 0.00 0.00 0.00 173.10 169.03 2ppb s HIS 92 N -2.99 1.86 -0.29 1.90 -3.43 -0.88 -0.64 115.29 110.82 2ppb s HIS 92 Ca 0.18 -0.39 -0.06 0.00 -0.80 0.00 0.00 55.06 53.98 2ppb s HIS 92 Cb -0.00 -1.07 0.01 0.00 -1.43 0.00 0.00 32.58 30.10 2ppb s HIS 92 CO 0.03 0.15 0.07 0.42 -2.00 0.00 0.00 174.74 173.41 2ppb s ILE 93 N -0.95 3.83 -0.59 -5.38 1.01 -0.96 -2.92 121.20 115.24 2ppb s ILE 93 Ca 0.08 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 2ppb s ILE 93 Cb -0.09 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2ppb s ILE 93 CO 0.03 0.08 1.34 -0.70 0.00 0.00 0.00 174.94 175.68 2ppb s GLU 94 N 1.47 3.34 0.26 2.79 2.56 -1.26 -2.52 118.70 125.34 2ppb s GLU 94 Ca 0.02 0.31 -0.29 0.00 0.00 0.00 0.00 54.97 55.01 2ppb s GLU 94 Cb -0.17 -4.10 -0.09 0.00 2.00 0.00 0.00 34.13 31.76 2ppb s GLU 94 CO 0.02 -1.90 1.26 -1.17 -0.56 0.00 0.00 175.26 172.91 2ppb s LEU 95 N 5.73 4.45 0.00 2.70 0.20 -0.81 -5.00 118.68 125.95 2ppb s LEU 95 Ca 0.48 2.47 0.00 0.00 0.69 0.00 0.00 54.13 57.77 2ppb s LEU 95 Cb -0.09 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.04 2ppb s LEU 95 CO 0.24 -0.45 0.08 0.00 -0.29 0.00 0.00 176.35 175.93 2ppb n ALA 96 N 1.69 0.00 -2.68 5.97 0.00 -1.26 -4.67 120.51 119.56 2ppb n ALA 96 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2ppb n ALA 96 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 2ppb n ALA 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ppb s THR 97 N -0.16 5.16 0.86 0.00 2.01 -1.26 -5.04 115.64 117.21 2ppb s THR 97 Ca 0.00 0.86 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 2ppb s THR 97 Cb 0.00 -3.79 -0.14 0.00 0.01 0.00 0.00 72.50 68.58 2ppb s THR 97 CO 0.00 0.25 -0.67 -2.65 -0.69 0.00 0.00 174.62 170.86 2ppb n PRO 98 N 4.34 0.00 -3.87 4.92 -0.02 -1.26 -4.99 135.00 134.13 2ppb n PRO 98 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 2ppb n PRO 98 Cb 0.51 -0.91 -0.07 0.00 -0.02 0.00 0.00 33.50 33.01 2ppb n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ppb s ALA 99 N -1.82 -0.22 0.28 3.55 0.00 0.11 -4.46 121.76 119.20 2ppb s ALA 99 Ca 0.38 -0.64 0.12 0.00 0.00 0.00 0.00 51.96 51.82 2ppb s ALA 99 Cb -0.20 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 2ppb s ALA 99 CO 0.74 -0.56 -0.20 0.00 0.00 0.00 0.00 175.76 175.74 2ppb s ALA 100 N -3.89 2.76 0.18 0.00 0.00 -1.26 0.55 121.76 120.10 2ppb s ALA 100 Ca 0.08 -1.88 -0.32 0.00 0.00 0.00 0.00 51.96 49.85 2ppb s ALA 100 Cb 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 22.78 2ppb s ALA 100 CO -0.08 0.28 1.66 -1.58 0.00 0.00 0.00 175.76 176.05 2ppb s HIS 101 N -2.51 2.90 -0.31 0.00 2.46 -1.24 -4.87 115.29 111.72 2ppb s HIS 101 Ca 0.30 0.43 0.27 0.00 0.47 0.00 0.00 55.06 56.53 2ppb s HIS 101 Cb -0.05 -4.05 0.73 0.00 -0.13 0.00 0.00 32.58 29.08 2ppb s HIS 101 CO 0.15 -3.97 1.74 0.97 -2.47 0.00 0.00 174.74 171.16 2ppb h ILE 102 N 3.99 0.00 0.00 0.89 2.10 -1.93 -2.91 117.51 119.65 2ppb h ILE 102 Ca -0.43 -0.76 -0.02 0.00 1.08 0.00 0.00 64.86 64.73 2ppb h ILE 102 Cb 1.20 1.75 -0.00 0.00 -1.09 0.00 0.00 36.82 38.68 2ppb h ILE 102 CO 0.94 0.00 -0.09 -0.25 -1.08 0.00 0.00 178.15 177.67 2ppb h TRP 103 N 0.00 0.00 0.00 2.19 7.01 -1.97 -0.25 115.95 122.93 2ppb h TRP 103 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2ppb h TRP 103 Cb 0.79 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2ppb h TRP 103 CO 0.00 0.09 -1.77 1.19 -2.79 0.00 0.00 178.44 175.16 2ppb n PHE 104 N -3.37 0.00 -0.02 2.65 0.99 -1.14 -4.23 117.46 112.34 2ppb n PHE 104 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.24 2ppb n PHE 104 Cb 0.27 -0.40 -0.14 0.00 -1.00 0.00 0.00 39.48 38.21 2ppb n PHE 104 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2ppb n VAL 105 N -2.10 1.73 0.68 -4.37 0.31 -1.06 -2.36 118.33 111.15 2ppb n VAL 105 Ca -0.05 -0.65 0.12 0.00 -0.01 0.00 0.00 64.34 63.75 2ppb n VAL 105 Cb 0.47 -1.64 0.18 0.00 -0.91 0.00 0.00 33.84 31.93 2ppb n VAL 105 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2ppb n LYS 106 N -3.42 2.39 -2.11 5.55 0.00 -0.13 -4.65 118.16 115.79 2ppb n LYS 106 Ca -0.33 -2.06 -0.41 0.00 0.00 0.00 0.00 58.31 55.51 2ppb n LYS 106 Cb 1.04 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 34.56 2ppb n LYS 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2ppb s ASP 107 N -1.73 6.76 0.07 3.14 2.15 -1.26 -4.86 116.67 120.94 2ppb s ASP 107 Ca 0.34 2.68 -0.14 0.00 0.43 0.00 0.00 52.55 55.86 2ppb s ASP 107 Cb 0.21 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2ppb s ASP 107 CO 0.31 -0.55 0.76 0.52 -0.17 0.00 0.00 175.17 176.04 2ppb n VAL 108 N 0.97 -0.31 -2.84 1.11 0.31 -1.26 -2.48 118.33 113.83 2ppb n VAL 108 Ca 0.01 1.19 -0.43 0.00 -0.01 0.00 0.00 64.34 65.10 2ppb n VAL 108 Cb 0.42 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 2ppb n VAL 108 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2ppb s PRO 109 N -4.96 3.51 -0.35 5.55 0.05 -1.26 -4.94 135.00 132.59 2ppb s PRO 109 Ca -0.05 0.12 -0.28 0.00 0.05 0.00 0.00 61.00 60.84 2ppb s PRO 109 Cb 0.05 -3.93 -0.04 0.00 0.05 0.00 0.00 34.50 30.63 2ppb s PRO 109 CO 0.28 -1.22 2.05 -1.12 0.05 0.00 0.00 177.00 177.04 2ppb s SER 110 N 2.26 5.42 0.61 6.66 0.01 -1.04 -4.78 113.70 122.85 2ppb s SER 110 Ca 0.36 1.35 0.32 0.00 1.31 0.00 0.00 55.95 59.29 2ppb s SER 110 Cb -0.10 -2.52 1.84 0.00 0.21 0.00 0.00 66.02 65.45 2ppb s SER 110 CO 0.26 -2.07 2.17 0.11 0.41 0.00 0.00 173.24 174.11 2ppb h LYS 111 N 15.00 0.00 0.00 12.44 6.56 -1.74 0.89 116.57 149.73 2ppb h LYS 111 Ca -0.34 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.20 2ppb h LYS 111 Cb 1.21 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2ppb h LYS 111 CO 1.05 0.00 -1.55 1.51 -2.06 0.00 0.00 179.45 178.40 2ppb n ILE 112 N -3.59 0.52 0.06 1.86 0.13 -1.25 -3.33 119.36 113.77 2ppb n ILE 112 Ca -0.01 -0.57 0.01 0.00 -1.10 0.00 0.00 62.75 61.07 2ppb n ILE 112 Cb 0.23 -0.28 -0.06 0.00 -0.84 0.00 0.00 39.64 38.69 2ppb n ILE 112 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2ppb h GLY 113 N 3.96 0.00 1.05 4.50 0.00 -0.48 -1.66 103.07 110.44 2ppb h GLY 113 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.98 2ppb h GLY 113 CO 0.01 0.00 -1.28 -0.84 0.00 0.00 0.00 176.54 174.42 2ppb h THR 114 N 0.00 1.33 -0.08 4.70 2.02 0.38 -3.34 112.91 117.93 2ppb h THR 114 Ca -0.12 -2.63 -0.12 0.00 0.77 0.00 0.00 66.41 64.30 2ppb h THR 114 Cb 1.53 3.08 0.01 0.00 -1.74 0.00 0.00 68.15 71.03 2ppb h THR 114 CO 0.05 0.78 -0.43 0.25 0.37 0.00 0.00 175.52 176.54 2ppb h LEU 115 N -0.03 0.52 -8.84 2.58 5.85 -1.68 -3.42 115.31 110.30 2ppb h LEU 115 Ca -0.23 -0.65 -0.64 0.00 0.84 0.00 0.00 57.88 57.20 2ppb h LEU 115 Cb 2.00 -0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.72 2ppb h LEU 115 CO 0.23 1.09 -0.22 -0.22 -0.34 0.00 0.00 178.44 178.98 2ppb s LEU 116 N -8.62 4.24 -0.91 2.25 0.20 -0.62 -4.99 118.68 110.22 2ppb s LEU 116 Ca -0.13 0.05 -0.24 0.00 0.69 0.00 0.00 54.13 54.49 2ppb s LEU 116 Cb 0.05 -2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 2ppb s LEU 116 CO 0.80 -0.29 1.78 -0.62 -0.29 0.00 0.00 176.35 177.73 2ppb s ASP 117 N 1.70 5.56 0.27 3.68 2.15 -1.26 -4.37 116.67 124.40 2ppb s ASP 117 Ca 0.14 -0.80 0.02 0.00 0.43 0.00 0.00 52.55 52.34 2ppb s ASP 117 Cb -0.16 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 2ppb s ASP 117 CO 0.11 -2.35 0.07 -0.76 -0.17 0.00 0.00 175.17 172.07 2ppb s LEU 118 N 8.47 1.86 -0.49 -1.34 1.43 -1.25 -5.05 118.68 122.31 2ppb s LEU 118 Ca 0.62 -1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 52.10 2ppb s LEU 118 Cb -0.05 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 2ppb s LEU 118 CO -0.01 -0.67 2.23 -0.44 0.23 0.00 0.00 176.35 177.69 2ppb s SER 119 N -3.35 4.78 0.02 2.29 0.01 -1.26 -4.77 113.70 111.42 2ppb s SER 119 Ca 0.36 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.56 2ppb s SER 119 Cb 0.08 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2ppb s SER 119 CO 0.13 -2.64 0.17 0.00 0.41 0.00 0.00 173.24 171.31 2ppb n ALA 120 N 14.56 -0.02 -0.01 1.44 0.00 -1.26 -1.38 120.51 133.83 2ppb n ALA 120 Ca 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.86 2ppb n ALA 120 Cb 0.53 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 2ppb n ALA 120 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ppb n THR 121 N -4.16 0.18 -0.11 0.00 -2.24 -1.26 -4.54 114.28 102.15 2ppb n THR 121 Ca 0.01 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2ppb n THR 121 Cb 0.04 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 67.86 2ppb n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ppb n GLU 122 N -1.95 0.67 -0.09 -0.78 2.13 -0.73 -3.68 120.64 116.21 2ppb n GLU 122 Ca -0.05 0.15 0.01 0.00 0.66 0.00 0.00 57.16 57.94 2ppb n GLU 122 Cb 0.41 -1.55 0.32 0.00 0.27 0.00 0.00 31.44 30.89 2ppb n GLU 122 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2ppb h LEU 123 N 0.01 0.65 0.04 4.31 5.85 -1.55 0.31 115.31 124.93 2ppb h LEU 123 Ca -0.55 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 2ppb h LEU 123 Cb 1.96 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.83 2ppb h LEU 123 CO -0.05 0.52 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.22 2ppb h GLU 124 N 0.74 -0.05 -1.46 1.25 4.39 -1.75 -2.67 114.58 115.04 2ppb h GLU 124 Ca 0.19 0.00 0.42 0.00 0.34 0.00 0.00 59.36 60.32 2ppb h GLU 124 Cb 0.00 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 2ppb h GLU 124 CO -0.03 -0.03 1.04 0.37 -1.16 0.00 0.00 179.01 179.20 2ppb h GLN 125 N -0.05 0.02 0.72 2.33 5.75 -1.60 0.30 115.11 122.58 2ppb h GLN 125 Ca -0.00 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 2ppb h GLN 125 Cb 0.04 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.59 2ppb h GLN 125 CO 0.01 0.01 -0.35 0.28 -2.65 0.00 0.00 178.83 176.13 2ppb h VAL 126 N 0.02 0.21 0.00 2.39 2.07 -0.66 -3.31 116.25 116.96 2ppb h VAL 126 Ca 0.71 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.92 2ppb h VAL 126 Cb 2.76 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 2ppb h VAL 126 CO -0.04 0.01 -1.29 0.17 0.02 0.00 0.00 177.57 176.44 2ppb h LEU 127 N -1.10 0.00 0.59 2.57 8.10 -0.81 -2.95 115.31 121.72 2ppb h LEU 127 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 2ppb h LEU 127 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.98 2ppb h LEU 127 CO 0.16 0.52 -0.47 1.88 -4.11 0.00 0.00 178.44 176.43 2ppb h TYR 128 N 0.00 -1.29 0.00 0.17 -1.99 -0.60 -3.27 116.97 109.99 2ppb h TYR 128 Ca -0.13 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.38 2ppb h TYR 128 Cb 1.52 0.49 -0.04 0.00 2.00 0.00 0.00 36.73 40.70 2ppb h TYR 128 CO 0.00 -0.66 -1.49 0.74 -0.00 0.00 0.00 178.16 176.76 2ppb h PHE 129 N -1.03 0.00 -0.92 4.88 0.05 -1.76 -3.39 116.94 114.77 2ppb h PHE 129 Ca -0.08 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2ppb h PHE 129 Cb 0.86 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.81 2ppb h PHE 129 CO -0.18 0.76 0.00 0.45 -0.18 0.00 0.00 178.31 179.16 2ppb n SER 130 N -2.98 0.00 -4.07 2.17 2.88 -1.11 -4.62 113.62 105.88 2ppb n SER 130 Ca -0.12 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.09 2ppb n SER 130 Cb 0.93 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.25 2ppb n SER 130 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ppb s LYS 131 N 3.78 1.81 -0.30 -1.46 2.20 -1.26 -4.77 119.74 119.75 2ppb s LYS 131 Ca 0.00 -1.76 -0.00 0.00 -0.36 0.00 0.00 55.97 53.85 2ppb s LYS 131 Cb 0.00 -3.31 0.19 0.00 -1.51 0.00 0.00 37.83 33.20 2ppb s LYS 131 CO 0.00 -0.92 0.64 0.71 -0.36 0.00 0.00 175.35 175.42 2ppb s TYR 132 N 1.03 -1.57 0.41 4.03 1.51 -1.26 -5.00 117.35 116.50 2ppb s TYR 132 Ca 0.07 1.41 -0.11 0.00 -1.01 0.00 0.00 57.07 57.43 2ppb s TYR 132 Cb -0.20 0.46 -0.07 0.00 -0.11 0.00 0.00 41.96 42.03 2ppb s TYR 132 CO -0.06 -0.88 0.79 0.42 -1.11 0.00 0.00 175.55 174.72 2ppb s ILE 133 N 2.86 4.75 0.02 2.71 1.01 -1.04 -3.59 121.20 127.92 2ppb s ILE 133 Ca 0.16 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.57 2ppb s ILE 133 Cb -0.13 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2ppb s ILE 133 CO -0.22 -0.52 -0.15 0.68 0.00 0.00 0.00 174.94 174.73 2ppb s VAL 134 N -2.38 1.18 -0.23 2.92 -7.23 0.53 0.18 120.40 115.37 2ppb s VAL 134 Ca 0.52 -0.85 -0.22 0.00 -1.81 0.00 0.00 61.98 59.62 2ppb s VAL 134 Cb -0.10 -1.02 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 2ppb s VAL 134 CO 0.31 0.17 0.71 -0.76 -0.31 0.00 0.00 175.10 175.22 2ppb s LEU 135 N -0.79 4.10 0.00 1.32 1.43 -1.16 -0.59 118.68 123.00 2ppb s LEU 135 Ca 0.04 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2ppb s LEU 135 Cb -0.07 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.14 2ppb s LEU 135 CO 0.01 -0.39 0.00 0.47 0.23 0.00 0.00 176.35 176.66 2ppb n ASP 136 N 5.58 0.00 -0.03 2.29 10.43 -1.01 -4.08 116.55 129.73 2ppb n ASP 136 Ca 0.02 0.03 -0.03 0.00 2.57 0.00 0.00 54.79 57.38 2ppb n ASP 136 Cb 0.49 -0.04 -0.01 0.00 1.84 0.00 0.00 41.12 43.40 2ppb n ASP 136 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 2ppb n PRO 137 N -0.72 0.18 -3.91 -0.24 -0.02 -1.26 -4.80 135.00 124.23 2ppb n PRO 137 Ca 0.00 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 2ppb n PRO 137 Cb 0.00 -0.88 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 2ppb n PRO 137 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ppb s LYS 138 N -1.62 0.11 -0.49 -0.52 -2.85 -1.26 -4.86 119.74 108.26 2ppb s LYS 138 Ca -0.09 -0.21 0.06 0.00 -1.00 0.00 0.00 55.97 54.73 2ppb s LYS 138 Cb 0.01 0.03 0.19 0.00 -2.06 0.00 0.00 37.83 36.01 2ppb s LYS 138 CO 0.13 -0.02 0.66 0.41 0.10 0.00 0.00 175.35 176.64 2ppb n GLY 139 N 2.58 0.22 0.39 0.59 0.00 -1.21 -3.39 105.19 104.37 2ppb n GLY 139 Ca -0.16 -0.04 0.32 0.00 0.00 0.00 0.00 46.02 46.14 2ppb n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb h ALA 140 N 4.97 2.37 -2.25 4.61 0.00 -1.91 -3.39 119.26 123.66 2ppb h ALA 140 Ca 0.08 0.18 -0.47 0.00 0.00 0.00 0.00 54.91 54.70 2ppb h ALA 140 Cb 1.05 0.23 0.03 0.00 0.00 0.00 0.00 17.79 19.10 2ppb h ALA 140 CO 0.15 -1.05 0.37 -1.50 0.00 0.00 0.00 179.25 177.22 2ppb s ILE 141 N -5.46 4.08 0.56 0.00 1.10 -1.26 -4.61 121.20 115.62 2ppb s ILE 141 Ca -0.09 1.13 -0.05 0.00 -0.51 0.00 0.00 60.65 61.14 2ppb s ILE 141 Cb 0.31 -3.52 0.00 0.00 0.15 0.00 0.00 42.46 39.40 2ppb s ILE 141 CO 0.80 -0.44 0.86 -1.48 -2.11 0.00 0.00 174.94 172.57 2ppb s LEU 142 N -3.86 3.33 -0.03 8.50 0.05 -1.26 -4.50 118.68 120.90 2ppb s LEU 142 Ca 0.63 0.68 0.09 0.00 0.05 0.00 0.00 54.13 55.58 2ppb s LEU 142 Cb -0.13 -3.53 -0.13 0.00 -2.05 0.00 0.00 46.19 40.34 2ppb s LEU 142 CO 0.26 -0.97 0.16 -0.46 -0.55 0.00 0.00 176.35 174.80 2ppb n ASN 143 N -2.48 2.93 0.00 1.48 6.94 -1.26 -4.91 115.26 117.95 2ppb n ASN 143 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 2ppb n ASN 143 Cb 0.57 1.26 0.00 0.00 -2.36 0.00 0.00 39.78 39.26 2ppb n ASN 143 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ppb n GLY 144 N 2.09 1.05 3.58 4.83 0.00 -1.26 -5.14 105.19 110.34 2ppb n GLY 144 Ca -0.04 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2ppb n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb s VAL 145 N 0.00 2.20 1.06 1.61 0.11 -1.26 -5.14 120.40 118.98 2ppb s VAL 145 Ca 0.00 -2.12 -0.15 0.00 -2.93 0.00 0.00 61.98 56.78 2ppb s VAL 145 Cb 0.00 -2.76 0.13 0.00 -1.53 0.00 0.00 36.38 32.22 2ppb s VAL 145 CO 0.00 -0.14 0.48 -0.81 -3.33 0.00 0.00 175.10 171.30 2ppb n PRO 146 N -0.86 -1.28 -1.64 1.54 -0.04 -1.26 -4.51 135.00 126.95 2ppb n PRO 146 Ca -0.05 -0.34 -0.47 0.00 -0.04 0.00 0.00 63.50 62.60 2ppb n PRO 146 Cb 0.64 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 2ppb n PRO 146 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2ppb n VAL 147 N -4.29 0.65 -2.71 0.52 3.14 -1.26 -4.84 118.33 109.52 2ppb n VAL 147 Ca 0.04 -0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 2ppb n VAL 147 Cb 0.57 -1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 32.08 2ppb n VAL 147 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ppb s GLU 148 N -0.06 3.52 0.17 1.45 8.01 -1.26 -4.90 118.70 125.63 2ppb s GLU 148 Ca 0.73 0.17 -0.15 0.00 0.01 0.00 0.00 54.97 55.74 2ppb s GLU 148 Cb -0.75 -3.98 0.14 0.00 -4.31 0.00 0.00 34.13 25.24 2ppb s GLU 148 CO 0.48 -1.44 1.71 0.87 0.01 0.00 0.00 175.26 176.89 2ppb h LYS 149 N 9.29 0.17 0.00 1.61 6.56 -1.89 -3.36 116.57 128.95 2ppb h LYS 149 Ca -0.25 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 2ppb h LYS 149 Cb 1.07 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 2ppb h LYS 149 CO 1.11 0.11 -0.29 0.54 -2.06 0.00 0.00 179.45 178.86 2ppb n ARG 150 N -5.14 3.43 -1.12 3.15 1.74 -1.26 -4.38 116.66 113.07 2ppb n ARG 150 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 2ppb n ARG 150 Cb 0.22 -0.55 0.13 0.00 -1.02 0.00 0.00 32.46 31.24 2ppb n ARG 150 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2ppb s GLN 151 N -0.93 1.46 -0.05 5.56 -0.21 -1.26 -4.61 119.66 119.62 2ppb s GLN 151 Ca 0.00 1.04 -0.00 0.00 0.02 0.00 0.00 55.36 56.42 2ppb s GLN 151 Cb 0.00 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 2ppb s GLN 151 CO 0.00 -2.16 -0.02 -0.48 -2.12 0.00 0.00 175.29 170.51 2ppb s LEU 152 N -6.22 3.44 0.13 2.90 2.34 -1.25 -3.00 118.68 117.01 2ppb s LEU 152 Ca 0.63 0.05 0.06 0.00 0.06 0.00 0.00 54.13 54.94 2ppb s LEU 152 Cb -0.19 -1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 43.57 2ppb s LEU 152 CO 0.57 0.34 -0.15 -1.48 -1.06 0.00 0.00 176.35 174.57 2ppb s LEU 153 N -1.07 2.40 0.60 1.48 2.34 0.46 -4.85 118.68 120.05 2ppb s LEU 153 Ca 0.15 -0.80 -0.13 0.00 0.06 0.00 0.00 54.13 53.41 2ppb s LEU 153 Cb -0.11 -0.62 -0.04 0.00 -0.56 0.00 0.00 46.19 44.86 2ppb s LEU 153 CO 0.04 -0.11 1.03 0.28 -1.06 0.00 0.00 176.35 176.53 2ppb s THR 154 N -2.01 4.40 0.56 5.48 -1.32 -1.26 -2.51 115.64 118.98 2ppb s THR 154 Ca 0.09 0.92 0.24 0.00 -1.21 0.00 0.00 61.69 61.73 2ppb s THR 154 Cb -0.06 -3.67 0.32 0.00 -1.51 0.00 0.00 72.50 67.59 2ppb s THR 154 CO 0.04 -0.88 2.17 0.44 -2.21 0.00 0.00 174.62 174.18 2ppb h ASP 155 N 0.03 0.00 0.01 8.08 5.19 -1.97 -1.02 116.42 126.74 2ppb h ASP 155 Ca -0.45 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2ppb h ASP 155 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2ppb h ASP 155 CO 0.60 0.00 -0.01 -0.33 -3.12 0.00 0.00 179.24 176.39 2ppb h GLU 156 N 0.00 -0.02 0.00 3.56 4.39 -1.98 0.19 114.58 120.73 2ppb h GLU 156 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2ppb h GLU 156 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2ppb h GLU 156 CO -0.00 0.74 -0.01 0.93 -1.16 0.00 0.00 179.01 179.52 2ppb h GLU 157 N -0.82 0.00 0.06 2.33 5.08 -1.92 -1.99 114.58 117.32 2ppb h GLU 157 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 2ppb h GLU 157 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2ppb h GLU 157 CO 0.00 0.01 -1.39 -0.92 -1.00 0.00 0.00 179.01 175.71 2ppb h TYR 158 N 0.00 0.25 -0.63 4.33 3.20 -1.26 -3.14 116.97 119.72 2ppb h TYR 158 Ca -0.00 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 2ppb h TYR 158 Cb 0.70 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2ppb h TYR 158 CO 0.00 1.20 0.02 0.00 -1.64 0.00 0.00 178.16 177.74 2ppb h ARG 159 N 0.04 1.09 0.28 1.82 3.08 -0.76 -3.07 114.38 116.86 2ppb h ARG 159 Ca -0.18 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2ppb h ARG 159 Cb 1.94 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.85 2ppb h ARG 159 CO 0.14 1.05 -0.49 0.93 -1.07 0.00 0.00 179.97 180.53 2ppb h GLU 160 N 1.00 -0.79 0.00 0.04 3.07 -1.44 -3.34 114.58 113.12 2ppb h GLU 160 Ca 0.18 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2ppb h GLU 160 Cb 0.54 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2ppb h GLU 160 CO 0.03 -0.53 0.00 -0.11 -1.40 0.00 0.00 179.01 177.00 2ppb n LEU 161 N -5.34 0.00 -0.30 1.33 0.00 -1.19 -3.38 117.00 108.13 2ppb n LEU 161 Ca -0.10 0.92 0.10 0.00 0.00 0.00 0.00 56.01 56.94 2ppb n LEU 161 Cb 0.41 -0.42 0.22 0.00 0.00 0.00 0.00 43.42 43.63 2ppb n LEU 161 CO 0.19 -0.42 0.83 -0.09 0.00 0.00 0.00 177.39 177.89 2ppb h ARG 162 N 0.00 0.08 -0.03 1.96 9.65 -1.65 0.12 114.38 124.50 2ppb h ARG 162 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ppb h ARG 162 Cb 0.00 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2ppb h ARG 162 CO 0.00 0.05 0.00 0.66 2.80 0.00 0.00 179.97 183.48 2ppb n TYR 163 N -5.39 0.02 0.00 2.20 4.02 -1.25 -4.62 117.16 112.14 2ppb n TYR 163 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2ppb n TYR 163 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 2ppb n TYR 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppb n GLY 164 N 1.14 0.77 2.75 2.72 0.00 0.03 -4.43 105.19 108.16 2ppb n GLY 164 Ca 0.19 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 2ppb n GLY 164 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ppb n LYS 165 N 0.00 3.70 -2.73 1.61 3.00 -1.26 -3.81 118.16 118.67 2ppb n LYS 165 Ca 0.00 -4.62 -0.42 0.00 -0.00 0.00 0.00 58.31 53.26 2ppb n LYS 165 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 35.03 32.60 2ppb n LYS 165 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2ppb s GLN 166 N -2.76 4.36 -0.14 1.64 -0.21 -1.25 -3.40 119.66 117.89 2ppb s GLN 166 Ca 0.35 1.30 -0.05 0.00 0.02 0.00 0.00 55.36 56.98 2ppb s GLN 166 Cb 0.10 -3.57 0.07 0.00 1.00 0.00 0.00 33.01 30.61 2ppb s GLN 166 CO 0.04 -0.38 0.30 -1.21 -2.12 0.00 0.00 175.29 171.93 2ppb s GLU 167 N 2.27 0.19 0.17 2.91 2.02 -1.20 -4.91 118.70 120.14 2ppb s GLU 167 Ca 0.45 0.81 -0.13 0.00 0.02 0.00 0.00 54.97 56.12 2ppb s GLU 167 Cb -0.17 0.05 -0.07 0.00 0.10 0.00 0.00 34.13 34.03 2ppb s GLU 167 CO 0.14 -0.27 0.55 0.99 0.02 0.00 0.00 175.26 176.70 2ppb s THR 168 N 2.41 4.86 -0.27 3.63 2.01 -1.26 -2.16 115.64 124.86 2ppb s THR 168 Ca 0.00 0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.78 2ppb s THR 168 Cb -0.12 -3.71 0.08 0.00 0.01 0.00 0.00 72.50 68.76 2ppb s THR 168 CO -0.09 0.18 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.70 2ppb s TYR 169 N -1.54 2.59 0.73 4.92 1.51 0.71 -4.96 117.35 121.31 2ppb s TYR 169 Ca 0.40 -2.04 -0.14 0.00 -1.01 0.00 0.00 57.07 54.28 2ppb s TYR 169 Cb -0.14 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2ppb s TYR 169 CO 0.19 -0.84 1.15 -2.14 -1.11 0.00 0.00 175.55 172.81 2ppb s PRO 170 N 1.32 2.26 -0.08 -1.71 0.02 -1.26 -1.25 135.00 134.30 2ppb s PRO 170 Ca 0.01 1.54 0.02 0.00 0.02 0.00 0.00 61.00 62.59 2ppb s PRO 170 Cb -0.19 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2ppb s PRO 170 CO -0.10 -1.70 -0.14 -0.51 -0.33 0.00 0.00 177.00 174.22 2ppb s LEU 171 N -5.29 1.69 0.36 -5.54 1.43 -0.38 -4.85 118.68 106.10 2ppb s LEU 171 Ca 0.69 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 2ppb s LEU 171 Cb -0.24 -0.95 -0.11 0.00 0.03 0.00 0.00 46.19 44.92 2ppb s LEU 171 CO 0.46 0.04 1.50 -2.16 0.23 0.00 0.00 176.35 176.42 2ppb s PRO 172 N 0.75 4.12 0.23 1.29 0.04 -1.26 -4.79 135.00 135.37 2ppb s PRO 172 Ca -0.12 2.57 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 2ppb s PRO 172 Cb -0.16 -2.98 -0.16 0.00 0.04 0.00 0.00 34.50 31.24 2ppb s PRO 172 CO 0.03 -0.55 0.75 -0.35 0.04 0.00 0.00 177.00 176.92 2ppb n PRO 173 N 0.81 0.58 -0.96 0.56 -0.04 -1.26 -1.80 135.00 132.88 2ppb n PRO 173 Ca 0.02 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2ppb n PRO 173 Cb 0.39 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2ppb n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ppb n GLY 174 N 1.68 0.76 3.76 0.55 0.00 -1.26 -5.02 105.19 105.66 2ppb n GLY 174 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2ppb n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 175 N -3.14 5.37 0.09 1.61 1.01 -0.75 -5.09 120.40 119.50 2ppb s VAL 175 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2ppb s VAL 175 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 2ppb s VAL 175 CO 0.00 0.46 0.43 -0.62 0.00 0.00 0.00 175.10 175.37 2ppb s ASP 176 N 0.11 6.70 0.57 3.32 -1.08 -1.26 -4.89 116.67 120.13 2ppb s ASP 176 Ca 0.13 0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 52.96 2ppb s ASP 176 Cb -0.12 -2.21 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2ppb s ASP 176 CO 0.02 0.17 0.90 0.00 0.52 0.00 0.00 175.17 176.78 2ppb s ALA 177 N -1.38 3.27 -0.26 3.66 0.00 -1.26 -4.49 121.76 121.30 2ppb s ALA 177 Ca 0.33 -0.53 0.13 0.00 0.00 0.00 0.00 51.96 51.89 2ppb s ALA 177 Cb -0.14 -2.69 0.68 0.00 0.00 0.00 0.00 23.12 20.96 2ppb s ALA 177 CO 0.18 -0.68 1.65 1.28 0.00 0.00 0.00 175.76 178.19 2ppb n LEU 178 N -2.54 5.19 -3.90 0.00 4.77 -0.99 -4.91 117.00 114.62 2ppb n LEU 178 Ca 0.04 -3.15 -0.10 0.00 -0.03 0.00 0.00 56.01 52.77 2ppb n LEU 178 Cb 0.56 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 2ppb n LEU 178 CO 0.54 0.77 -0.20 -0.69 -1.33 0.00 0.00 177.39 176.47 2ppb s VAL 179 N -2.92 0.10 0.53 4.08 1.01 -1.26 -4.92 120.40 117.02 2ppb s VAL 179 Ca 0.50 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2ppb s VAL 179 Cb 0.40 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 2ppb s VAL 179 CO 0.11 -0.44 0.91 -0.54 0.00 0.00 0.00 175.10 175.14 2ppb s LYS 180 N -1.66 3.67 0.19 2.72 -0.14 -1.26 -4.93 119.74 118.32 2ppb s LYS 180 Ca -0.13 0.58 0.03 0.00 -1.36 0.00 0.00 55.97 55.10 2ppb s LYS 180 Cb -0.07 -2.22 0.52 0.00 -1.68 0.00 0.00 37.83 34.38 2ppb s LYS 180 CO -0.00 -0.33 0.92 -3.47 -0.76 0.00 0.00 175.35 171.71 2ppb n ASP 181 N -2.20 -0.01 -2.44 2.83 -0.08 -1.26 -0.83 116.55 112.56 2ppb n ASP 181 Ca 0.04 1.00 -0.04 0.00 -1.51 0.00 0.00 54.79 54.28 2ppb n ASP 181 Cb 0.54 -0.39 0.05 0.00 2.34 0.00 0.00 41.12 43.66 2ppb n ASP 181 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ppb n GLY 182 N -1.27 2.63 3.79 0.27 0.00 -1.22 -3.30 105.19 106.10 2ppb n GLY 182 Ca 0.16 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2ppb n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 183 N -3.25 4.22 -0.06 1.61 2.12 -0.01 -4.78 118.70 118.55 2ppb s GLU 183 Ca 0.33 1.36 -0.30 0.00 0.36 0.00 0.00 54.97 56.72 2ppb s GLU 183 Cb 0.35 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 2ppb s GLU 183 CO -0.04 -0.06 1.44 -1.21 -0.54 0.00 0.00 175.26 174.84 2ppb s GLU 184 N -2.66 4.24 -0.02 4.30 0.41 -1.26 -2.28 118.70 121.43 2ppb s GLU 184 Ca 0.58 1.94 0.05 0.00 -0.41 0.00 0.00 54.97 57.13 2ppb s GLU 184 Cb -0.17 -3.75 -0.03 0.00 -1.78 0.00 0.00 34.13 28.40 2ppb s GLU 184 CO 0.22 -0.69 -0.15 0.14 -0.49 0.00 0.00 175.26 174.29 2ppb s VAL 185 N 3.20 2.98 0.17 2.63 -7.23 0.21 -4.95 120.40 117.42 2ppb s VAL 185 Ca 0.64 -0.87 0.07 0.00 -1.81 0.00 0.00 61.98 60.01 2ppb s VAL 185 Cb -0.29 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2ppb s VAL 185 CO 0.24 0.51 -0.00 0.68 -0.31 0.00 0.00 175.10 176.21 2ppb s VAL 186 N -0.80 3.72 -0.27 1.32 -7.23 -1.26 -0.87 120.40 115.00 2ppb s VAL 186 Ca 0.13 -1.42 -0.34 0.00 -1.81 0.00 0.00 61.98 58.54 2ppb s VAL 186 Cb -0.11 -2.87 -0.11 0.00 0.56 0.00 0.00 36.38 33.86 2ppb s VAL 186 CO 0.02 -0.10 2.11 1.17 -0.31 0.00 0.00 175.10 177.99 2ppb n LYS 187 N -0.10 1.44 0.00 4.82 3.00 -1.24 -1.33 118.16 124.74 2ppb n LYS 187 Ca -0.10 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2ppb n LYS 187 Cb 0.55 -2.61 0.00 0.00 0.00 0.00 0.00 35.03 32.97 2ppb n LYS 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ppb n GLY 188 N 5.89 0.33 3.76 3.14 0.00 -0.53 -4.93 105.19 112.86 2ppb n GLY 188 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2ppb n GLY 188 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppb s GLN 189 N -0.81 4.46 -0.31 1.61 0.74 -0.44 -4.65 119.66 120.27 2ppb s GLN 189 Ca 0.00 1.88 -0.29 0.00 0.05 0.00 0.00 55.36 57.00 2ppb s GLN 189 Cb 0.00 -3.05 0.01 0.00 1.10 0.00 0.00 33.01 31.07 2ppb s GLN 189 CO 0.00 0.03 1.20 -1.21 -0.55 0.00 0.00 175.29 174.76 2ppb s GLU 190 N -1.72 3.99 0.00 1.67 2.02 -1.26 -0.21 118.70 123.19 2ppb s GLU 190 Ca 0.48 1.17 0.29 0.00 0.02 0.00 0.00 54.97 56.94 2ppb s GLU 190 Cb -0.33 -3.81 1.35 0.00 0.10 0.00 0.00 34.13 31.44 2ppb s GLU 190 CO 0.42 -1.01 1.94 1.28 0.02 0.00 0.00 175.26 177.91 2ppb n LEU 191 N 7.26 0.27 0.00 1.80 4.77 -1.03 -4.56 117.00 125.50 2ppb n LEU 191 Ca 0.13 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2ppb n LEU 191 Cb 0.47 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ppb n LEU 191 CO 0.61 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.72 2ppb n ALA 192 N -1.10 0.00 -0.20 -1.18 0.00 -1.20 -2.34 120.51 114.48 2ppb n ALA 192 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 2ppb n ALA 192 Cb 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 2ppb n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ppb h PRO 193 N 0.00 -0.28 0.23 0.00 0.13 -1.91 -3.07 132.00 127.10 2ppb h PRO 193 Ca 0.00 0.02 -0.32 0.00 -0.87 0.00 0.00 66.00 64.82 2ppb h PRO 193 Cb 0.00 0.06 0.03 0.00 0.13 0.00 0.00 31.00 31.23 2ppb h PRO 193 CO 0.00 -0.19 -1.43 0.78 -0.23 0.00 0.00 178.00 176.94 2ppb h GLY 194 N -0.29 0.57 -2.69 1.56 0.00 -1.97 -3.47 103.07 96.78 2ppb h GLY 194 Ca 0.11 -1.44 -0.48 0.00 0.00 0.00 0.00 47.33 45.52 2ppb h GLY 194 CO -0.68 1.26 0.17 0.14 0.00 0.00 0.00 176.54 177.43 2ppb s VAL 195 N -2.63 4.58 -0.07 4.60 1.01 -1.16 -5.05 120.40 121.68 2ppb s VAL 195 Ca -0.08 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 2ppb s VAL 195 Cb 0.05 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2ppb s VAL 195 CO 0.94 -0.20 0.16 -0.69 0.00 0.00 0.00 175.10 175.31 2ppb s VAL 196 N -2.01 -0.09 0.69 2.92 1.01 -1.26 -2.46 120.40 119.20 2ppb s VAL 196 Ca 0.56 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 2ppb s VAL 196 Cb -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.02 2ppb s VAL 196 CO 0.16 0.08 1.18 -0.55 0.00 0.00 0.00 175.10 175.98 2ppb s SER 197 N 1.38 4.55 0.00 3.32 0.15 0.70 -4.90 113.70 118.91 2ppb s SER 197 Ca -0.07 2.28 0.09 0.00 0.70 0.00 0.00 55.95 58.95 2ppb s SER 197 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2ppb s SER 197 CO -0.06 -2.02 0.61 0.54 1.20 0.00 0.00 173.24 173.51 2ppb n ARG 198 N -2.48 2.00 -3.72 5.44 1.74 -1.26 -1.45 116.66 116.92 2ppb n ARG 198 Ca 0.13 -0.61 -0.10 0.00 -0.77 0.00 0.00 57.85 56.50 2ppb n ARG 198 Cb 0.50 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.84 2ppb n ARG 198 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ppb s LEU 199 N -1.48 0.36 0.53 0.55 1.43 -1.26 -4.77 118.68 114.04 2ppb s LEU 199 Ca 0.08 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 2ppb s LEU 199 Cb 0.07 1.86 -0.07 0.00 0.03 0.00 0.00 46.19 48.09 2ppb s LEU 199 CO 0.22 -0.94 1.02 -1.81 0.23 0.00 0.00 176.35 175.06 2ppb s ASP 200 N -2.86 6.31 0.00 2.29 -0.00 -1.26 -3.68 116.67 117.48 2ppb s ASP 200 Ca 0.07 1.74 0.00 0.00 -0.00 0.00 0.00 52.55 54.36 2ppb s ASP 200 Cb 0.01 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.40 2ppb s ASP 200 CO -0.07 -0.80 0.00 0.61 -0.00 0.00 0.00 175.17 174.91 2ppb n GLY 201 N -1.00 -0.08 3.18 0.21 0.00 -0.05 -3.81 105.19 103.64 2ppb n GLY 201 Ca 0.08 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 2ppb n GLY 201 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 202 N -3.84 2.25 -0.11 1.61 1.01 -0.30 -0.62 120.40 120.41 2ppb s VAL 202 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2ppb s VAL 202 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2ppb s VAL 202 CO 0.00 0.53 1.11 0.00 0.00 0.00 0.00 175.10 176.74 2ppb s ALA 203 N 0.99 3.50 0.02 5.51 0.00 -0.97 -1.79 121.76 129.02 2ppb s ALA 203 Ca -0.02 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2ppb s ALA 203 Cb -0.15 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2ppb s ALA 203 CO -0.05 -0.78 -0.18 -0.51 0.00 0.00 0.00 175.76 174.23 2ppb s LEU 204 N 2.41 2.56 -0.09 0.00 1.43 -0.86 -3.42 118.68 120.71 2ppb s LEU 204 Ca 0.51 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.05 2ppb s LEU 204 Cb -0.20 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2ppb s LEU 204 CO 0.17 0.28 0.43 -0.31 0.23 0.00 0.00 176.35 177.16 2ppb s TYR 205 N -0.86 3.57 -0.39 0.29 1.51 -1.21 -1.06 117.35 119.20 2ppb s TYR 205 Ca 0.14 0.88 -0.11 0.00 -1.01 0.00 0.00 57.07 56.97 2ppb s TYR 205 Cb -0.10 -2.45 0.04 0.00 -0.11 0.00 0.00 41.96 39.33 2ppb s TYR 205 CO 0.04 0.31 0.23 1.03 -1.11 0.00 0.00 175.55 176.05 2ppb s ARG 206 N 0.13 2.78 0.00 -0.62 1.81 -0.12 -4.95 118.95 117.98 2ppb s ARG 206 Ca 0.24 -1.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 2ppb s ARG 206 Cb -0.15 -3.77 0.00 0.00 -0.45 0.00 0.00 34.95 30.58 2ppb s ARG 206 CO 0.10 -0.78 0.00 1.19 -0.68 0.00 0.00 175.30 175.13 2ppb n PHE 207 N 4.99 0.00 0.00 -0.53 3.01 -1.26 -3.26 117.46 120.42 2ppb n PHE 207 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2ppb n PHE 207 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2ppb n PHE 207 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ppb n ALA 391 N 0.00 0.00 -3.44 4.37 0.00 -1.26 -5.16 120.51 115.01 2ppb n ALA 391 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2ppb n ALA 391 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ppb n ALA 391 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ppb s SER 392 N -0.28 -0.56 -0.08 0.00 0.01 -1.20 -1.24 113.70 110.35 2ppb s SER 392 Ca 0.00 0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.39 2ppb s SER 392 Cb 0.00 0.57 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2ppb s SER 392 CO 0.00 -0.88 -0.16 -0.63 0.41 0.00 0.00 173.24 171.98 2ppb s ILE 393 N -3.31 1.42 -0.37 1.44 1.01 -0.38 -0.95 121.20 120.07 2ppb s ILE 393 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 2ppb s ILE 393 Cb -0.01 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.24 2ppb s ILE 393 CO -0.09 0.42 0.17 -1.48 0.00 0.00 0.00 174.94 173.95 2ppb s LEU 394 N 0.58 4.65 0.51 2.97 0.05 -0.22 -0.21 118.68 127.01 2ppb s LEU 394 Ca -0.16 -1.24 -0.17 0.00 0.05 0.00 0.00 54.13 52.61 2ppb s LEU 394 Cb -0.16 -1.93 -0.08 0.00 -2.05 0.00 0.00 46.19 41.97 2ppb s LEU 394 CO 0.05 -0.40 0.99 -0.69 -0.55 0.00 0.00 176.35 175.75 2ppb s VAL 395 N 1.43 4.46 -0.03 1.48 1.01 -0.92 -2.02 120.40 125.80 2ppb s VAL 395 Ca 0.01 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2ppb s VAL 395 Cb -0.20 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ppb s VAL 395 CO 0.03 -0.62 0.03 0.68 0.00 0.00 0.00 175.10 175.22 2ppb s VAL 396 N -2.55 -0.00 -1.00 2.92 -7.23 -0.74 -3.25 120.40 108.56 2ppb s VAL 396 Ca 0.60 0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 60.80 2ppb s VAL 396 Cb -0.10 -0.15 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 2ppb s VAL 396 CO 0.29 0.13 2.03 1.17 -0.31 0.00 0.00 175.10 178.41 2ppb n LYS 397 N 4.45 1.95 -4.06 4.82 4.81 -1.22 -1.15 118.16 127.76 2ppb n LYS 397 Ca -0.22 -2.10 -0.09 0.00 -0.87 0.00 0.00 58.31 55.04 2ppb n LYS 397 Cb 0.50 -3.04 -0.11 0.00 0.02 0.00 0.00 35.03 32.40 2ppb n LYS 397 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ppb s ALA 398 N 4.40 0.46 0.28 3.14 0.00 -1.26 0.16 121.76 128.94 2ppb s ALA 398 Ca 0.54 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2ppb s ALA 398 Cb 0.14 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 2ppb s ALA 398 CO 0.05 -0.23 0.43 1.03 0.00 0.00 0.00 175.76 177.04 2ppb s ARG 399 N -2.77 3.41 -0.09 0.00 0.52 -0.77 -3.62 118.95 115.63 2ppb s ARG 399 Ca -0.02 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 2ppb s ARG 399 Cb -0.01 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.66 2ppb s ARG 399 CO -0.05 0.30 -0.15 0.54 0.02 0.00 0.00 175.30 175.96 2ppb s VAL 400 N -2.10 1.44 -0.26 3.52 0.11 -1.26 -0.87 120.40 120.98 2ppb s VAL 400 Ca 0.37 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 2ppb s VAL 400 Cb -0.09 -1.30 0.06 0.00 -1.53 0.00 0.00 36.38 33.51 2ppb s VAL 400 CO 0.31 0.43 -0.11 -0.31 -3.33 0.00 0.00 175.10 172.09 2ppb s TYR 401 N 0.77 3.24 0.34 1.54 1.51 0.03 -4.98 117.35 119.80 2ppb s TYR 401 Ca -0.11 -2.27 -0.26 0.00 -1.01 0.00 0.00 57.07 53.41 2ppb s TYR 401 Cb -0.16 -1.94 -0.09 0.00 -0.11 0.00 0.00 41.96 39.66 2ppb s TYR 401 CO 0.02 -0.87 1.01 -2.14 -1.11 0.00 0.00 175.55 172.46 2ppb s PRO 402 N 1.12 4.46 -0.05 -1.71 0.02 -1.26 -1.34 135.00 136.24 2ppb s PRO 402 Ca -0.08 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.46 2ppb s PRO 402 Cb -0.20 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.53 2ppb s PRO 402 CO -0.05 0.13 -0.07 -0.59 -0.33 0.00 0.00 177.00 176.08 2ppb s PHE 403 N -1.51 0.98 -0.11 6.54 -0.12 -1.24 -4.95 117.98 117.57 2ppb s PHE 403 Ca 0.51 -0.31 0.16 0.00 -0.05 0.00 0.00 56.93 57.25 2ppb s PHE 403 Cb -0.23 -0.78 -0.17 0.00 -0.63 0.00 0.00 43.02 41.21 2ppb s PHE 403 CO 0.29 -0.21 0.72 0.39 -0.05 0.00 0.00 175.22 176.37 2ppb n GLU 404 N 3.89 0.63 -3.89 1.99 4.71 -1.26 -4.77 120.64 121.93 2ppb n GLU 404 Ca -0.24 0.20 -0.22 0.00 -0.01 0.00 0.00 57.16 56.89 2ppb n GLU 404 Cb 0.51 -1.77 -0.05 0.00 -1.01 0.00 0.00 31.44 29.13 2ppb n GLU 404 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ppb s ASP 405 N -5.75 5.05 0.70 1.62 -0.00 -1.26 -5.09 116.67 111.94 2ppb s ASP 405 Ca -0.04 -0.62 -0.17 0.00 -0.00 0.00 0.00 52.55 51.72 2ppb s ASP 405 Cb 0.09 -0.85 -0.10 0.00 -0.00 0.00 0.00 42.92 42.05 2ppb s ASP 405 CO 0.82 -0.36 0.03 -0.90 -0.00 0.00 0.00 175.17 174.76 2ppb n ASP 406 N -1.31 -3.05 -4.82 0.27 3.85 -1.26 -3.94 116.55 106.29 2ppb n ASP 406 Ca -0.02 0.53 -0.37 0.00 -0.71 0.00 0.00 54.79 54.22 2ppb n ASP 406 Cb 0.60 -0.99 -0.06 0.00 -1.35 0.00 0.00 41.12 39.32 2ppb n ASP 406 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2ppb s VAL 407 N -1.96 4.72 -0.08 2.12 1.01 -1.26 -1.87 120.40 123.08 2ppb s VAL 407 Ca 0.57 1.14 0.19 0.00 0.00 0.00 0.00 61.98 63.88 2ppb s VAL 407 Cb -0.37 -3.85 -0.29 0.00 0.00 0.00 0.00 36.38 31.87 2ppb s VAL 407 CO 0.66 0.39 0.32 1.21 0.00 0.00 0.00 175.10 177.68 2ppb n GLU 408 N 1.23 0.72 -2.74 2.72 4.07 -0.39 -4.94 120.64 121.30 2ppb n GLU 408 Ca -0.07 -0.13 -0.27 0.00 -0.06 0.00 0.00 57.16 56.63 2ppb n GLU 408 Cb 0.51 -1.48 -0.00 0.00 -0.06 0.00 0.00 31.44 30.40 2ppb n GLU 408 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ppb s VAL 409 N -3.10 4.93 0.14 6.31 1.01 -1.17 -5.05 120.40 123.47 2ppb s VAL 409 Ca -0.08 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2ppb s VAL 409 Cb 0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2ppb s VAL 409 CO 0.82 -0.80 -0.20 -0.94 0.00 0.00 0.00 175.10 173.98 2ppb s SER 410 N -4.06 2.67 0.03 3.32 1.04 -1.26 -4.95 113.70 110.48 2ppb s SER 410 Ca 0.47 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 2ppb s SER 410 Cb -0.10 -0.16 -0.08 0.00 0.10 0.00 0.00 66.02 65.78 2ppb s SER 410 CO 0.43 0.01 1.76 -0.89 0.98 0.00 0.00 173.24 175.54 2ppb s THR 411 N -1.65 3.13 0.00 2.02 2.01 -1.26 -2.29 115.64 117.60 2ppb s THR 411 Ca 0.12 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.49 2ppb s THR 411 Cb -0.08 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.20 2ppb s THR 411 CO 0.06 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2ppb n GLY 412 N 4.22 2.18 3.61 4.40 0.00 -0.05 -4.95 105.19 114.59 2ppb n GLY 412 Ca 0.18 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2ppb n GLY 412 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ppb n ASP 413 N 0.09 0.11 -4.87 1.61 9.92 -0.97 -4.48 116.55 117.96 2ppb n ASP 413 Ca 0.00 0.54 -0.33 0.00 -0.53 0.00 0.00 54.79 54.46 2ppb n ASP 413 Cb 0.00 -1.41 -0.05 0.00 -0.64 0.00 0.00 41.12 39.02 2ppb n ASP 413 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2ppb s ARG 414 N -3.83 3.34 0.09 -1.24 3.00 -1.26 -1.78 118.95 117.28 2ppb s ARG 414 Ca 0.69 -0.36 0.03 0.00 0.00 0.00 0.00 55.73 56.10 2ppb s ARG 414 Cb -0.29 -3.04 -0.03 0.00 0.00 0.00 0.00 34.95 31.59 2ppb s ARG 414 CO 0.55 0.67 -0.09 0.08 0.00 0.00 0.00 175.30 176.51 2ppb s VAL 415 N -1.28 0.86 0.32 3.52 1.01 0.44 -4.94 120.40 120.32 2ppb s VAL 415 Ca 0.26 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.68 2ppb s VAL 415 Cb -0.12 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.91 2ppb s VAL 415 CO 0.17 -0.56 0.07 0.00 0.00 0.00 0.00 175.10 174.78 2ppb s ALA 416 N -2.40 2.28 -0.07 5.51 0.00 -1.26 -0.82 121.76 125.00 2ppb s ALA 416 Ca 0.04 -2.01 -0.31 0.00 0.00 0.00 0.00 51.96 49.68 2ppb s ALA 416 Cb -0.03 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 2ppb s ALA 416 CO -0.00 -0.33 2.01 -2.30 0.00 0.00 0.00 175.76 175.13 2ppb n PRO 417 N -0.66 2.38 0.00 0.00 -0.02 -1.26 -2.23 135.00 133.22 2ppb n PRO 417 Ca -0.02 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2ppb n PRO 417 Cb 0.67 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2ppb n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 418 N 4.85 3.27 2.91 -1.23 0.00 -0.69 -5.00 105.19 109.31 2ppb n GLY 418 Ca 0.24 -1.01 -0.50 0.00 0.00 0.00 0.00 46.02 44.75 2ppb n GLY 418 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ppb n ASP 419 N 0.27 0.14 -4.76 1.61 9.92 -0.95 -4.30 116.55 118.47 2ppb n ASP 419 Ca 0.00 0.96 -0.38 0.00 -0.53 0.00 0.00 54.79 54.84 2ppb n ASP 419 Cb 0.00 -0.75 0.01 0.00 -0.64 0.00 0.00 41.12 39.74 2ppb n ASP 419 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ppb s VAL 420 N 0.36 2.73 0.00 2.53 1.01 -1.26 -1.53 120.40 124.23 2ppb s VAL 420 Ca 0.76 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.29 2ppb s VAL 420 Cb -1.07 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2ppb s VAL 420 CO 0.50 -0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.77 2ppb n LEU 421 N -0.66 2.02 -3.64 3.92 4.77 0.16 -4.66 117.00 118.90 2ppb n LEU 421 Ca 0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2ppb n LEU 421 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2ppb n LEU 421 CO 0.50 0.34 0.98 0.00 -1.33 0.00 0.00 177.39 177.87 2ppb s ALA 422 N -1.80 -2.10 -1.29 -1.18 0.00 -1.13 -1.26 121.76 113.00 2ppb s ALA 422 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.55 2ppb s ALA 422 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2ppb s ALA 422 CO 0.00 -1.01 1.11 -0.25 0.00 0.00 0.00 175.76 175.61 2ppb n ASP 423 N -0.45 -5.21 0.00 0.00 8.00 -0.78 -2.39 116.55 115.72 2ppb n ASP 423 Ca -0.07 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.88 2ppb n ASP 423 Cb 0.62 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 36.76 2ppb n ASP 423 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ppb n GLY 424 N -1.76 0.39 0.00 0.44 0.00 -1.26 -2.60 105.19 100.39 2ppb n GLY 424 Ca -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 46.02 45.12 2ppb n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppb n GLY 425 N 0.00 -0.74 0.47 -0.02 0.00 -1.26 -4.09 105.19 99.56 2ppb n GLY 425 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2ppb n GLY 425 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ppb h LYS 426 N 0.00 -1.16 -5.18 1.61 3.64 -1.66 -3.40 116.57 110.43 2ppb h LYS 426 Ca 0.00 0.08 -0.67 0.00 -1.27 0.00 0.00 60.65 58.79 2ppb h LYS 426 Cb 0.00 0.26 -0.17 0.00 -0.41 0.00 0.00 32.23 31.92 2ppb h LYS 426 CO 0.00 -0.77 0.18 0.08 -2.27 0.00 0.00 179.45 176.67 2ppb s VAL 427 N -5.55 4.75 0.17 2.00 1.01 -1.01 -5.04 120.40 116.74 2ppb s VAL 427 Ca -0.18 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2ppb s VAL 427 Cb 0.02 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2ppb s VAL 427 CO 0.53 -0.90 -0.14 -0.54 0.00 0.00 0.00 175.10 174.05 2ppb s LYS 428 N 2.97 1.91 0.64 2.72 1.02 -1.26 0.38 119.74 128.12 2ppb s LYS 428 Ca 0.19 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 2ppb s LYS 428 Cb -0.18 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2ppb s LYS 428 CO 0.13 0.43 1.04 0.45 -0.92 0.00 0.00 175.35 176.48 2ppb s SER 429 N -2.71 6.00 0.00 2.83 0.15 -0.58 -4.91 113.70 114.48 2ppb s SER 429 Ca 0.23 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2ppb s SER 429 Cb -0.09 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ppb s SER 429 CO 0.13 -0.99 0.16 0.47 1.20 0.00 0.00 173.24 174.21 2ppb n ASP 430 N -2.80 0.32 -4.08 5.45 8.00 -1.26 -1.70 116.55 120.48 2ppb n ASP 430 Ca 0.06 -0.66 -0.07 0.00 0.71 0.00 0.00 54.79 54.83 2ppb n ASP 430 Cb 0.55 0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 42.22 2ppb n ASP 430 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ppb s VAL 431 N -0.67 0.21 0.39 2.53 1.01 -1.26 -4.60 120.40 118.01 2ppb s VAL 431 Ca 0.00 -1.74 -0.25 0.00 0.00 0.00 0.00 61.98 59.99 2ppb s VAL 431 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 2ppb s VAL 431 CO 0.00 -0.96 1.11 -0.31 0.00 0.00 0.00 175.10 174.94 2ppb s TYR 432 N -3.75 3.18 0.00 5.22 1.51 -1.25 -4.22 117.35 118.05 2ppb s TYR 432 Ca 0.05 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 2ppb s TYR 432 Cb 0.07 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 2ppb s TYR 432 CO -0.09 -0.95 0.00 0.41 -1.11 0.00 0.00 175.55 173.80 2ppb n GLY 433 N 0.53 2.06 3.76 0.71 0.00 0.00 -3.83 105.19 108.43 2ppb n GLY 433 Ca 0.04 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 2ppb n GLY 433 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ppb s ARG 434 N -2.00 0.73 0.07 1.61 3.00 -0.42 -0.42 118.95 121.53 2ppb s ARG 434 Ca 0.00 0.25 0.07 0.00 -1.00 0.00 0.00 55.73 55.04 2ppb s ARG 434 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 34.95 33.12 2ppb s ARG 434 CO 0.00 -2.46 -0.18 0.08 0.00 0.00 0.00 175.30 172.74 2ppb s VAL 435 N -3.23 1.45 -0.25 7.11 1.01 -0.73 -2.43 120.40 123.33 2ppb s VAL 435 Ca 0.65 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2ppb s VAL 435 Cb -0.14 -1.33 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2ppb s VAL 435 CO 0.54 -0.05 0.11 -1.61 0.00 0.00 0.00 175.10 174.09 2ppb s GLU 436 N -1.63 0.20 -1.16 2.72 2.02 -1.14 -0.87 118.70 118.84 2ppb s GLU 436 Ca 0.04 -0.42 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 2ppb s GLU 436 Cb -0.09 -1.47 0.11 0.00 0.10 0.00 0.00 34.13 32.78 2ppb s GLU 436 CO 0.03 -0.89 1.48 0.08 0.02 0.00 0.00 175.26 175.98 2ppb s VAL 437 N 2.07 4.51 -0.36 2.63 1.01 -1.26 -3.01 120.40 125.99 2ppb s VAL 437 Ca 0.06 -1.92 -0.29 0.00 0.00 0.00 0.00 61.98 59.83 2ppb s VAL 437 Cb -0.16 -5.01 0.02 0.00 0.00 0.00 0.00 36.38 31.23 2ppb s VAL 437 CO -0.26 -1.78 1.11 -0.62 0.00 0.00 0.00 175.10 173.54 2ppb s ASP 438 N 3.77 6.84 -0.26 3.32 -1.08 -1.02 -4.86 116.67 123.37 2ppb s ASP 438 Ca 0.45 0.91 0.11 0.00 -0.52 0.00 0.00 52.55 53.51 2ppb s ASP 438 Cb -0.01 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.66 2ppb s ASP 438 CO -0.01 -0.99 1.72 0.18 0.52 0.00 0.00 175.17 176.59 2ppb n LEU 439 N 7.17 5.69 -0.04 -1.34 4.77 -1.26 -1.98 117.00 130.02 2ppb n LEU 439 Ca 0.12 -2.92 0.01 0.00 -0.03 0.00 0.00 56.01 53.19 2ppb n LEU 439 Cb 0.48 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 2ppb n LEU 439 CO 0.63 0.68 -0.85 0.52 -1.33 0.00 0.00 177.39 177.04 2ppb n VAL 440 N 0.28 0.72 -0.17 4.08 0.31 -1.26 -4.31 118.33 117.98 2ppb n VAL 440 Ca 0.32 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2ppb n VAL 440 Cb 1.24 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 2ppb n VAL 440 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ppb n ARG 441 N -2.54 2.48 -3.90 5.55 1.74 -1.26 -5.03 116.66 113.70 2ppb n ARG 441 Ca -0.16 -1.33 -0.38 0.00 -0.77 0.00 0.00 57.85 55.21 2ppb n ARG 441 Cb 0.84 -0.91 0.02 0.00 -1.02 0.00 0.00 32.46 31.39 2ppb n ARG 441 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ppb n ASN 442 N -0.42 -4.67 -3.66 0.55 4.13 -1.20 -4.97 115.26 105.03 2ppb n ASN 442 Ca 0.00 -1.14 -0.13 0.00 1.68 0.00 0.00 54.58 54.99 2ppb n ASN 442 Cb 0.29 -2.19 -0.06 0.00 -1.54 0.00 0.00 39.78 36.28 2ppb n ASN 442 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2ppb s VAL 443 N -3.40 0.05 -0.20 2.41 0.11 -0.84 -3.67 120.40 114.87 2ppb s VAL 443 Ca 0.40 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2ppb s VAL 443 Cb -0.20 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2ppb s VAL 443 CO 0.93 -0.24 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.60 2ppb s VAL 444 N -2.44 2.03 0.04 2.04 1.01 -0.45 -2.44 120.40 120.19 2ppb s VAL 444 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.85 2ppb s VAL 444 Cb -0.01 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2ppb s VAL 444 CO -0.02 0.39 0.14 0.00 0.00 0.00 0.00 175.10 175.61 2ppb s ARG 445 N 1.27 3.22 -0.32 2.72 1.70 -1.16 -0.79 118.95 125.58 2ppb s ARG 445 Ca 0.02 -0.49 0.03 0.00 -0.47 0.00 0.00 55.73 54.82 2ppb s ARG 445 Cb -0.15 -2.94 0.09 0.00 -0.57 0.00 0.00 34.95 31.39 2ppb s ARG 445 CO -0.11 0.62 0.03 0.08 -1.08 0.00 0.00 175.30 174.84 2ppb s VAL 446 N -1.37 2.07 0.10 4.99 1.01 -0.05 -2.91 120.40 124.25 2ppb s VAL 446 Ca 0.29 -2.11 -0.31 0.00 0.00 0.00 0.00 61.98 59.86 2ppb s VAL 446 Cb -0.13 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 2ppb s VAL 446 CO 0.22 -0.52 1.59 0.68 0.00 0.00 0.00 175.10 177.06 2ppb s VAL 447 N 1.03 2.96 0.59 2.92 -7.23 -1.02 -1.84 120.40 117.81 2ppb s VAL 447 Ca 0.08 0.55 0.34 0.00 -1.81 0.00 0.00 61.98 61.14 2ppb s VAL 447 Cb -0.19 -3.35 0.50 0.00 0.56 0.00 0.00 36.38 33.90 2ppb s VAL 447 CO -0.10 0.02 1.42 -0.08 -0.31 0.00 0.00 175.10 176.05 2ppb h GLU 448 N 7.64 0.00 -5.53 4.82 4.81 0.13 -2.34 114.58 124.11 2ppb h GLU 448 Ca -0.42 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.22 2ppb h GLU 448 Cb 1.20 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 2ppb h GLU 448 CO 0.92 0.00 -0.25 -1.12 -0.73 0.00 0.00 179.01 177.83 2ppb s SER 449 N -3.69 6.50 0.28 1.04 0.01 -1.25 -4.24 113.70 112.34 2ppb s SER 449 Ca -0.03 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2ppb s SER 449 Cb 0.18 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2ppb s SER 449 CO 0.60 0.03 0.00 0.00 0.41 0.00 0.00 173.24 174.28 2ppb n TYR 450 N 3.85 -1.86 -1.54 2.43 9.36 -1.26 -1.30 117.16 126.84 2ppb n TYR 450 Ca -0.10 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.76 2ppb n TYR 450 Cb 0.52 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.18 2ppb n TYR 450 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2ppb n ASP 451 N -1.58 2.01 -4.11 2.98 8.00 -1.26 -4.87 116.55 117.73 2ppb n ASP 451 Ca 0.00 -0.46 -0.33 0.00 0.71 0.00 0.00 54.79 54.71 2ppb n ASP 451 Cb 0.00 -1.50 -0.15 0.00 -0.02 0.00 0.00 41.12 39.45 2ppb n ASP 451 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2ppb s ILE 452 N 11.88 2.25 -0.12 0.53 2.07 -1.26 -3.35 121.20 133.21 2ppb s ILE 452 Ca 1.03 -1.33 -0.29 0.00 -1.41 0.00 0.00 60.65 58.65 2ppb s ILE 452 Cb -0.32 -2.18 -0.01 0.00 0.13 0.00 0.00 42.46 40.08 2ppb s ILE 452 CO 0.29 0.18 0.98 -1.81 -1.91 0.00 0.00 174.94 172.67 2ppb s ASP 453 N 1.19 7.20 -0.03 4.50 -0.00 -1.22 -4.99 116.67 123.32 2ppb s ASP 453 Ca -0.03 1.48 -0.06 0.00 -0.00 0.00 0.00 52.55 53.94 2ppb s ASP 453 Cb -0.17 -2.54 0.01 0.00 -0.00 0.00 0.00 42.92 40.21 2ppb s ASP 453 CO -0.07 -0.44 0.15 0.00 -0.00 0.00 0.00 175.17 174.80 2ppb s ALA 454 N 2.04 -0.35 -0.28 5.23 0.00 -1.26 -2.40 121.76 124.73 2ppb s ALA 454 Ca 0.47 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 2ppb s ALA 454 Cb -0.18 -0.10 0.12 0.00 0.00 0.00 0.00 23.12 22.96 2ppb s ALA 454 CO 0.17 -0.13 0.91 1.03 0.00 0.00 0.00 175.76 177.74 2ppb s ARG 455 N -0.55 0.51 0.15 0.00 3.00 0.25 -4.96 118.95 117.35 2ppb s ARG 455 Ca -0.06 0.78 0.08 0.00 0.00 0.00 0.00 55.73 56.53 2ppb s ARG 455 Cb -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 34.95 35.03 2ppb s ARG 455 CO 0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 175.30 175.04 2ppb s MET 456 N 1.05 1.21 1.70 3.54 0.23 -1.26 0.20 119.30 125.97 2ppb s MET 456 Ca -0.05 -1.34 0.00 0.00 -1.03 0.00 0.00 55.69 53.26 2ppb s MET 456 Cb -0.04 -1.26 0.00 0.00 -1.53 0.00 0.00 34.83 31.99 2ppb s MET 456 CO -0.13 0.26 0.00 0.41 -2.03 0.00 0.00 175.02 173.53 2ppb n GLY 457 N 0.45 0.28 0.26 3.16 0.00 -1.24 -3.51 105.19 104.59 2ppb n GLY 457 Ca -0.14 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.64 2ppb n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb h ALA 458 N 0.00 1.11 -0.16 4.61 0.00 -1.79 1.24 119.26 124.26 2ppb h ALA 458 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2ppb h ALA 458 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ppb h ALA 458 CO 0.00 -0.11 -0.54 1.49 0.00 0.00 0.00 179.25 180.10 2ppb h GLU 459 N 0.00 0.47 0.00 0.00 4.57 -1.78 -1.43 114.58 116.42 2ppb h GLU 459 Ca 0.00 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 2ppb h GLU 459 Cb 0.25 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2ppb h GLU 459 CO 0.00 0.89 -0.49 0.00 -1.18 0.00 0.00 179.01 178.23 2ppb h ALA 460 N 1.05 0.89 0.10 2.92 0.00 0.14 -3.25 119.26 121.12 2ppb h ALA 460 Ca 0.01 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 54.13 2ppb h ALA 460 Cb 1.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2ppb h ALA 460 CO 0.10 0.62 -1.83 0.82 0.00 0.00 0.00 179.25 178.95 2ppb h ILE 461 N 0.00 0.79 -0.88 0.00 1.08 -1.34 -3.19 117.51 113.96 2ppb h ILE 461 Ca -0.00 -2.51 0.13 0.00 -0.39 0.00 0.00 64.86 62.08 2ppb h ILE 461 Cb 1.08 2.55 -0.09 0.00 -3.07 0.00 0.00 36.82 37.29 2ppb h ILE 461 CO 0.06 0.79 0.49 -0.61 -0.69 0.00 0.00 178.15 178.20 2ppb h GLN 462 N 0.06 0.72 -0.11 2.37 4.15 -1.32 0.14 115.11 121.11 2ppb h GLN 462 Ca -0.36 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 2ppb h GLN 462 Cb 2.03 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 29.56 2ppb h GLN 462 CO 0.11 0.48 -0.09 1.96 -1.93 0.00 0.00 178.83 179.36 2ppb h GLN 463 N 0.74 0.26 -0.41 1.69 1.08 -1.70 -2.47 115.11 114.31 2ppb h GLN 463 Ca 0.46 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2ppb h GLN 463 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2ppb h GLN 463 CO -0.32 0.64 0.26 -0.07 -0.95 0.00 0.00 178.83 178.39 2ppb h LEU 464 N -0.12 0.47 -0.16 1.46 3.38 -1.37 -2.70 115.31 116.27 2ppb h LEU 464 Ca 0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2ppb h LEU 464 Cb 0.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2ppb h LEU 464 CO 0.02 0.35 -0.37 0.25 0.09 0.00 0.00 178.44 178.78 2ppb h LEU 465 N 0.55 0.60 -1.04 1.67 6.46 -0.68 -3.28 115.31 119.59 2ppb h LEU 465 Ca 0.15 -0.57 -0.10 0.00 -0.12 0.00 0.00 57.88 57.24 2ppb h LEU 465 Cb -0.04 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2ppb h LEU 465 CO -0.03 1.06 -0.36 0.11 -0.62 0.00 0.00 178.44 178.60 2ppb h LYS 466 N 0.17 0.22 0.00 1.25 1.79 -1.19 -3.04 116.57 115.76 2ppb h LYS 466 Ca -0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2ppb h LYS 466 Cb 0.98 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 2ppb h LYS 466 CO 0.08 0.56 0.00 0.39 -1.08 0.00 0.00 179.45 179.40 2ppb n GLU 467 N -4.07 0.01 -3.22 3.15 1.02 -1.04 -4.82 120.64 111.66 2ppb n GLU 467 Ca -0.01 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.80 2ppb n GLU 467 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.30 2ppb n GLU 467 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ppb s LEU 468 N -2.99 4.26 -0.76 -4.62 1.43 -1.15 -5.01 118.68 109.84 2ppb s LEU 468 Ca 0.13 0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 2ppb s LEU 468 Cb 0.17 -2.81 0.17 0.00 0.03 0.00 0.00 46.19 43.74 2ppb s LEU 468 CO 0.46 -0.07 0.79 -0.62 0.23 0.00 0.00 176.35 177.14 2ppb s ASP 469 N 0.77 6.55 0.35 2.29 2.15 -1.26 -4.92 116.67 122.60 2ppb s ASP 469 Ca 0.29 -2.21 0.16 0.00 0.43 0.00 0.00 52.55 51.22 2ppb s ASP 469 Cb -0.16 -2.26 1.18 0.00 -0.30 0.00 0.00 42.92 41.37 2ppb s ASP 469 CO 0.12 -0.81 1.60 0.17 -0.17 0.00 0.00 175.17 176.08 2ppb h LEU 470 N 8.85 0.22 -0.51 -1.34 -0.00 -1.97 0.29 115.31 120.84 2ppb h LEU 470 Ca -0.01 0.25 0.07 0.00 -0.00 0.00 0.00 57.88 58.18 2ppb h LEU 470 Cb 1.05 0.28 -0.06 0.00 -0.00 0.00 0.00 40.66 41.93 2ppb h LEU 470 CO 0.93 -0.35 0.19 -0.33 -0.00 0.00 0.00 178.44 178.87 2ppb h GLU 471 N 0.08 0.36 0.44 0.17 5.08 -1.96 0.38 114.58 119.14 2ppb h GLU 471 Ca 0.77 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 59.10 2ppb h GLU 471 Cb 1.92 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 2ppb h GLU 471 CO -0.76 0.24 -0.27 0.00 -1.00 0.00 0.00 179.01 177.23 2ppb h ALA 472 N 1.34 -0.67 0.00 3.43 0.00 -0.85 -0.63 119.26 121.88 2ppb h ALA 472 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ppb h ALA 472 Cb 0.26 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ppb h ALA 472 CO -0.24 -0.89 -0.16 -0.07 0.00 0.00 0.00 179.25 177.89 2ppb h LEU 473 N -0.67 0.00 0.05 0.00 3.38 -1.32 0.17 115.31 116.91 2ppb h LEU 473 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ppb h LEU 473 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ppb h LEU 473 CO 0.06 0.16 -0.02 -0.08 0.09 0.00 0.00 178.44 178.64 2ppb h GLU 474 N 0.00 -0.06 0.20 1.13 4.81 0.46 -0.34 114.58 120.78 2ppb h GLU 474 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2ppb h GLU 474 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2ppb h GLU 474 CO 0.02 0.13 -0.10 0.87 -0.73 0.00 0.00 179.01 179.20 2ppb h LYS 475 N -0.23 -0.26 -0.68 1.92 1.57 -0.60 -0.01 116.57 118.27 2ppb h LYS 475 Ca -0.01 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 2ppb h LYS 475 Cb 0.21 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.46 2ppb h LYS 475 CO 0.01 -0.15 0.01 1.49 -0.57 0.00 0.00 179.45 180.25 2ppb h GLU 476 N -0.30 0.12 -0.15 3.15 4.81 -0.62 0.26 114.58 121.85 2ppb h GLU 476 Ca -0.03 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2ppb h GLU 476 Cb 0.23 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2ppb h GLU 476 CO 0.04 0.08 -0.40 -0.07 -0.73 0.00 0.00 179.01 177.94 2ppb h LEU 477 N 0.12 0.36 -0.71 1.64 3.38 -0.82 -1.53 115.31 117.75 2ppb h LEU 477 Ca 0.37 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.29 2ppb h LEU 477 Cb 0.62 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2ppb h LEU 477 CO -0.58 0.73 0.33 -0.07 0.09 0.00 0.00 178.44 178.94 2ppb h LEU 478 N 0.29 0.41 -0.00 1.67 3.38 0.15 0.31 115.31 121.51 2ppb h LEU 478 Ca 0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ppb h LEU 478 Cb 0.83 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2ppb h LEU 478 CO 0.07 0.22 -0.00 -0.33 0.09 0.00 0.00 178.44 178.48 2ppb h GLU 479 N 0.55 0.00 -0.87 1.13 4.39 -1.12 -3.05 114.58 115.60 2ppb h GLU 479 Ca 0.36 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.13 2ppb h GLU 479 Cb 0.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 2ppb h GLU 479 CO -0.30 0.63 0.57 1.49 -1.16 0.00 0.00 179.01 180.24 2ppb h GLU 480 N -0.62 0.90 0.61 2.33 4.57 -1.04 -1.74 114.58 119.59 2ppb h GLU 480 Ca -0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2ppb h GLU 480 Cb 0.63 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2ppb h GLU 480 CO 0.00 0.60 -0.29 1.98 -1.18 0.00 0.00 179.01 180.11 2ppb h MET 481 N 0.93 -0.79 0.00 1.92 4.05 -0.38 -3.29 114.93 117.37 2ppb h MET 481 Ca 0.39 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.86 2ppb h MET 481 Cb 0.30 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2ppb h MET 481 CO -0.15 -0.50 -0.55 1.63 0.23 0.00 0.00 176.91 177.57 2ppb n LYS 482 N -5.41 0.24 -0.08 0.39 5.02 -1.16 -4.67 118.16 112.50 2ppb n LYS 482 Ca -0.13 0.08 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 2ppb n LYS 482 Cb 0.35 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2ppb n LYS 482 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2ppb n HIS 483 N -2.02 0.18 -0.22 2.13 -0.00 -0.66 -4.99 115.22 109.63 2ppb n HIS 483 Ca 0.04 0.08 -0.25 0.00 -0.00 0.00 0.00 57.72 57.58 2ppb n HIS 483 Cb 0.42 -0.50 0.24 0.00 -0.00 0.00 0.00 29.99 30.15 2ppb n HIS 483 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2ppb n PRO 484 N -4.27 -4.35 -1.22 -0.41 -0.02 -1.24 -5.00 135.00 118.49 2ppb n PRO 484 Ca -0.11 -1.22 -0.29 0.00 -2.02 0.00 0.00 63.50 59.86 2ppb n PRO 484 Cb 0.41 -1.57 0.19 0.00 -0.02 0.00 0.00 33.50 32.51 2ppb n PRO 484 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2ppb s SER 485 N -2.96 2.28 0.63 2.55 1.04 -1.26 -4.82 113.70 111.16 2ppb s SER 485 Ca 0.56 0.97 0.35 0.00 0.48 0.00 0.00 55.95 58.32 2ppb s SER 485 Cb -0.10 -1.51 2.03 0.00 0.10 0.00 0.00 66.02 66.54 2ppb s SER 485 CO 0.47 -3.32 2.25 0.03 0.98 0.00 0.00 173.24 173.65 2ppb h ARG 486 N -2.02 0.00 0.79 4.02 3.08 -1.95 -3.05 114.38 115.26 2ppb h ARG 486 Ca -0.52 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 2ppb h ARG 486 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.38 2ppb h ARG 486 CO 0.52 0.00 -0.38 0.00 -1.07 0.00 0.00 179.97 179.04 2ppb h ALA 487 N 1.91 -1.06 0.00 0.04 0.00 -2.00 -1.75 119.26 116.39 2ppb h ALA 487 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2ppb h ALA 487 Cb 0.13 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ppb h ALA 487 CO -0.00 -1.00 -0.78 0.07 0.00 0.00 0.00 179.25 177.55 2ppb h ARG 488 N -1.26 0.00 -0.28 0.00 0.11 -1.95 -3.31 114.38 107.68 2ppb h ARG 488 Ca -0.11 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.81 2ppb h ARG 488 Cb 0.82 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.90 2ppb h ARG 488 CO 0.18 0.11 -0.44 0.07 0.10 0.00 0.00 179.97 179.99 2ppb h ARG 489 N 0.00 0.79 0.03 0.08 0.11 -1.61 -2.19 114.38 111.60 2ppb h ARG 489 Ca -0.03 -0.48 0.02 0.00 0.10 0.00 0.00 59.98 59.58 2ppb h ARG 489 Cb 1.16 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 2ppb h ARG 489 CO 0.02 1.11 -0.11 0.00 0.10 0.00 0.00 179.97 181.09 2ppb h ALA 490 N 0.67 -0.15 -0.72 0.08 0.00 -1.44 -1.22 119.26 116.49 2ppb h ALA 490 Ca 0.02 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2ppb h ALA 490 Cb 1.05 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2ppb h ALA 490 CO 0.10 -0.61 0.29 -0.22 0.00 0.00 0.00 179.25 178.81 2ppb h LYS 491 N -0.20 0.43 -0.81 0.00 3.64 -1.63 -0.80 116.57 117.19 2ppb h LYS 491 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2ppb h LYS 491 Cb 0.24 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2ppb h LYS 491 CO -0.09 0.29 0.40 0.00 -2.27 0.00 0.00 179.45 177.77 2ppb h ALA 492 N 1.51 1.17 -0.18 5.00 0.00 -0.83 -1.99 119.26 123.94 2ppb h ALA 492 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ppb h ALA 492 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ppb h ALA 492 CO -0.38 0.64 0.12 0.07 0.00 0.00 0.00 179.25 179.70 2ppb h ARG 493 N 1.16 0.23 0.00 0.00 -0.00 0.04 0.27 114.38 116.08 2ppb h ARG 493 Ca 0.28 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 60.20 2ppb h ARG 493 Cb 0.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.01 2ppb h ARG 493 CO -0.04 0.15 -0.22 -0.22 -0.00 0.00 0.00 179.97 179.65 2ppb h LYS 494 N 0.24 0.00 0.00 0.08 3.64 -1.32 -0.88 116.57 118.33 2ppb h LYS 494 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2ppb h LYS 494 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2ppb h LYS 494 CO -0.01 0.22 0.00 -2.13 -2.27 0.00 0.00 179.45 175.25 2ppb n ARG 495 N -4.06 0.24 0.05 1.90 0.63 -0.51 -3.30 116.66 111.62 2ppb n ARG 495 Ca -0.02 0.24 0.05 0.00 -0.92 0.00 0.00 57.85 57.19 2ppb n ARG 495 Cb 0.29 -1.80 -0.06 0.00 0.45 0.00 0.00 32.46 31.34 2ppb n ARG 495 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2ppb n LEU 496 N -2.23 0.75 -0.13 6.15 7.94 0.82 -4.02 117.00 126.28 2ppb n LEU 496 Ca 0.05 0.31 -0.11 0.00 -1.11 0.00 0.00 56.01 55.15 2ppb n LEU 496 Cb 0.40 0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 2ppb n LEU 496 CO 0.29 0.02 0.72 -0.08 -1.11 0.00 0.00 177.39 177.22 2ppb h GLU 497 N 0.00 0.76 -0.31 1.96 4.81 -1.49 -2.13 114.58 118.19 2ppb h GLU 497 Ca -0.10 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2ppb h GLU 497 Cb 1.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2ppb h GLU 497 CO 0.02 0.90 0.10 -0.39 -0.73 0.00 0.00 179.01 178.91 2ppb h VAL 498 N 0.57 1.20 -0.57 0.32 -1.51 -1.72 -2.00 116.25 112.54 2ppb h VAL 498 Ca 0.10 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2ppb h VAL 498 Cb 0.61 1.05 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2ppb h VAL 498 CO 0.04 0.22 0.35 0.58 -1.23 0.00 0.00 177.57 177.53 2ppb h VAL 499 N 0.34 1.16 0.00 7.19 2.07 -1.69 -2.72 116.25 122.60 2ppb h VAL 499 Ca 0.10 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2ppb h VAL 499 Cb 0.24 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2ppb h VAL 499 CO -0.00 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.29 2ppb n ARG 500 N -4.66 0.00 -0.28 1.57 5.12 -0.80 -2.14 116.66 115.47 2ppb n ARG 500 Ca 0.04 0.59 0.23 0.00 -1.93 0.00 0.00 57.85 56.77 2ppb n ARG 500 Cb 0.04 -1.35 0.42 0.00 -1.16 0.00 0.00 32.46 30.42 2ppb n ARG 500 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ppb n ALA 501 N -1.95 0.74 0.32 7.54 0.00 -0.77 -0.11 120.51 126.28 2ppb n ALA 501 Ca 0.00 0.88 -0.16 0.00 0.00 0.00 0.00 53.44 54.15 2ppb n ALA 501 Cb 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.56 2ppb n ALA 501 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2ppb h PHE 502 N 0.00 -0.75 -0.12 0.00 0.05 -1.15 -2.85 116.94 112.13 2ppb h PHE 502 Ca 0.66 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.41 2ppb h PHE 502 Cb 1.64 0.25 -0.00 0.00 2.00 0.00 0.00 35.95 39.83 2ppb h PHE 502 CO -0.14 -0.43 0.02 1.25 -0.18 0.00 0.00 178.31 178.84 2ppb h LEU 503 N -0.92 0.19 -0.11 1.54 6.46 -0.42 -2.33 115.31 119.72 2ppb h LEU 503 Ca -0.08 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 2ppb h LEU 503 Cb 0.65 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2ppb h LEU 503 CO 0.13 0.40 -0.14 0.44 -0.62 0.00 0.00 178.44 178.66 2ppb h ASP 504 N -0.03 -0.46 1.08 1.25 3.32 -0.54 -2.65 116.42 118.40 2ppb h ASP 504 Ca 0.04 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ppb h ASP 504 Cb 0.29 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2ppb h ASP 504 CO 0.00 -0.10 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.20 2ppb n SER 505 N -3.37 0.21 0.00 6.45 7.64 -1.08 -5.01 113.62 118.46 2ppb n SER 505 Ca -0.01 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2ppb n SER 505 Cb 0.08 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2ppb n SER 505 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ppb n GLY 506 N 1.46 1.28 0.00 0.23 0.00 -0.88 -4.57 105.19 102.70 2ppb n GLY 506 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2ppb n GLY 506 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ppb n ASN 507 N 0.06 0.00 -4.84 1.61 5.03 -1.26 -4.31 115.26 111.54 2ppb n ASN 507 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 2ppb n ASN 507 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2ppb n ASN 507 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2ppb s ARG 508 N 0.00 4.05 0.00 3.52 1.81 -1.26 -4.72 118.95 122.35 2ppb s ARG 508 Ca 0.00 0.68 0.04 0.00 -1.72 0.00 0.00 55.73 54.73 2ppb s ARG 508 Cb 0.00 -2.58 0.23 0.00 -0.45 0.00 0.00 34.95 32.15 2ppb s ARG 508 CO 0.00 0.24 0.59 -0.35 -0.68 0.00 0.00 175.30 175.11 2ppb n PRO 509 N -0.03 0.20 0.00 3.54 -0.04 -1.26 -3.80 135.00 133.62 2ppb n PRO 509 Ca 0.01 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.62 2ppb n PRO 509 Cb 0.52 -1.30 0.69 0.00 -0.04 0.00 0.00 33.50 33.37 2ppb n PRO 509 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ppb n GLU 510 N -0.80 0.85 0.12 0.54 4.71 -1.26 -3.63 120.64 121.17 2ppb n GLU 510 Ca 0.03 -0.25 0.12 0.00 -0.01 0.00 0.00 57.16 57.05 2ppb n GLU 510 Cb 0.01 -1.49 0.15 0.00 -1.01 0.00 0.00 31.44 29.10 2ppb n GLU 510 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 2ppb h TRP 511 N 0.61 0.00 0.00 -0.32 -0.00 -1.85 -3.33 115.95 111.07 2ppb h TRP 511 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2ppb h TRP 511 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 2ppb h TRP 511 CO 0.00 0.00 0.27 0.52 -0.00 0.00 0.00 178.44 179.23 2ppb h MET 512 N 0.00 0.00 -6.16 0.49 2.86 -1.87 -3.40 114.93 106.84 2ppb h MET 512 Ca 0.00 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.06 2ppb h MET 512 Cb 0.89 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 2ppb h MET 512 CO 0.00 0.00 -0.08 0.42 1.06 0.00 0.00 176.91 178.31 2ppb s ILE 513 N -4.01 4.83 -0.29 -1.22 1.09 -1.25 -3.70 121.20 116.64 2ppb s ILE 513 Ca -0.03 1.11 -0.08 0.00 -1.10 0.00 0.00 60.65 60.55 2ppb s ILE 513 Cb 0.09 -3.85 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 2ppb s ILE 513 CO 0.28 0.55 0.09 -0.76 -0.10 0.00 0.00 174.94 175.00 2ppb s LEU 514 N -1.04 3.80 0.00 2.97 1.43 0.19 -4.86 118.68 121.18 2ppb s LEU 514 Ca 0.28 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2ppb s LEU 514 Cb -0.19 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2ppb s LEU 514 CO 0.17 -0.15 0.08 -1.84 0.23 0.00 0.00 176.35 174.84 2ppb n GLU 515 N 4.91 5.40 -3.70 1.70 0.28 -1.26 -0.71 120.64 127.26 2ppb n GLU 515 Ca -0.15 -0.08 -0.22 0.00 -0.16 0.00 0.00 57.16 56.55 2ppb n GLU 515 Cb 0.49 -0.56 -0.18 0.00 1.43 0.00 0.00 31.44 32.62 2ppb n GLU 515 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ppb s ALA 516 N -0.80 0.44 -0.35 -1.84 0.00 -1.26 -1.92 121.76 116.03 2ppb s ALA 516 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 2ppb s ALA 516 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2ppb s ALA 516 CO 0.00 -0.59 0.19 0.08 0.00 0.00 0.00 175.76 175.44 2ppb s VAL 517 N 2.09 4.64 0.18 0.00 1.01 -1.05 -4.93 120.40 122.34 2ppb s VAL 517 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 2ppb s VAL 517 Cb -0.13 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 2ppb s VAL 517 CO -0.05 -0.11 1.37 -2.84 0.00 0.00 0.00 175.10 173.48 2ppb s PRO 518 N 1.59 4.34 -0.12 2.72 0.02 -1.26 -2.26 135.00 140.03 2ppb s PRO 518 Ca 0.03 2.12 -0.14 0.00 0.02 0.00 0.00 61.00 63.03 2ppb s PRO 518 Cb -0.18 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 2ppb s PRO 518 CO 0.07 -0.36 0.34 0.08 -0.33 0.00 0.00 177.00 176.80 2ppb s VAL 519 N 0.44 5.24 0.56 3.83 1.01 0.19 -4.98 120.40 126.70 2ppb s VAL 519 Ca 0.60 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.05 2ppb s VAL 519 Cb -0.38 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2ppb s VAL 519 CO 0.36 0.43 1.16 -0.22 0.00 0.00 0.00 175.10 176.83 2ppb s LEU 520 N 0.11 3.72 1.00 3.92 0.20 -1.26 -3.61 118.68 122.76 2ppb s LEU 520 Ca 0.20 2.25 -0.18 0.00 0.69 0.00 0.00 54.13 57.09 2ppb s LEU 520 Cb -0.14 -4.59 -0.07 0.00 -0.43 0.00 0.00 46.19 40.96 2ppb s LEU 520 CO 0.07 -1.35 -0.50 -2.65 -0.29 0.00 0.00 176.35 171.63 2ppb n PRO 521 N -1.41 -0.30 -0.02 0.98 -0.02 -1.26 -4.90 135.00 128.07 2ppb n PRO 521 Ca 0.12 -0.07 -0.16 0.00 -2.02 0.00 0.00 63.50 61.37 2ppb n PRO 521 Cb 0.50 -1.34 -0.13 0.00 -0.02 0.00 0.00 33.50 32.52 2ppb n PRO 521 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ppb h PRO 522 N -1.31 0.15 -0.56 0.52 0.11 -1.84 -3.34 132.00 125.74 2ppb h PRO 522 Ca -0.44 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2ppb h PRO 522 Cb 1.32 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.48 2ppb h PRO 522 CO 0.28 1.03 0.35 -0.44 -0.21 0.00 0.00 178.00 179.01 2ppb h ASP 523 N -0.62 0.66 0.01 -2.05 3.32 -1.90 -3.03 116.42 112.80 2ppb h ASP 523 Ca -0.05 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2ppb h ASP 523 Cb 1.17 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 2ppb h ASP 523 CO 0.06 0.49 -0.39 0.25 -1.72 0.00 0.00 179.24 177.93 2ppb h LEU 524 N 0.77 -1.19 -8.05 1.55 6.46 -1.90 -3.30 115.31 109.65 2ppb h LEU 524 Ca 0.20 0.15 -0.73 0.00 -0.12 0.00 0.00 57.88 57.38 2ppb h LEU 524 Cb -0.06 0.47 -0.22 0.00 -0.73 0.00 0.00 40.66 40.12 2ppb h LEU 524 CO -0.04 -0.44 0.10 0.00 -0.62 0.00 0.00 178.44 177.44 2ppb s ARG 525 N -5.93 3.21 -0.21 1.25 3.03 -1.15 -4.99 118.95 114.16 2ppb s ARG 525 Ca -0.16 -1.72 -0.41 0.00 2.03 0.00 0.00 55.73 55.47 2ppb s ARG 525 Cb 0.08 -4.38 -0.18 0.00 -1.03 0.00 0.00 34.95 29.45 2ppb s ARG 525 CO 0.64 -1.46 1.48 -2.30 -1.13 0.00 0.00 175.30 172.53 2ppb n PRO 526 N 5.56 0.56 -3.82 3.89 -0.02 -1.25 -4.34 135.00 135.59 2ppb n PRO 526 Ca -0.02 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.37 2ppb n PRO 526 Cb 0.43 -1.79 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 2ppb n PRO 526 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2ppb n MET 527 N 3.59 2.02 -4.11 -0.52 1.56 -1.24 -1.03 117.12 117.39 2ppb n MET 527 Ca 0.25 -4.51 -0.22 0.00 -0.27 0.00 0.00 57.70 52.94 2ppb n MET 527 Cb 0.07 -2.30 -0.04 0.00 2.15 0.00 0.00 33.22 33.10 2ppb n MET 527 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2ppb s VAL 528 N -1.58 4.47 -0.36 1.12 1.01 -0.09 -4.94 120.40 120.04 2ppb s VAL 528 Ca 0.27 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 2ppb s VAL 528 Cb -0.03 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2ppb s VAL 528 CO -0.15 -0.33 0.84 -1.58 0.00 0.00 0.00 175.10 173.87 2ppb s GLN 529 N -3.80 3.81 0.00 2.72 2.00 -1.26 -1.76 119.66 121.37 2ppb s GLN 529 Ca 0.33 0.44 0.00 0.00 -2.00 0.00 0.00 55.36 54.13 2ppb s GLN 529 Cb -0.08 -3.80 0.00 0.00 0.80 0.00 0.00 33.01 29.93 2ppb s GLN 529 CO 0.25 -0.86 0.00 0.28 -0.50 0.00 0.00 175.29 174.45 2ppb n VAL 530 N 5.82 0.00 -3.81 1.34 0.31 0.15 -4.96 118.33 117.19 2ppb n VAL 530 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 2ppb n VAL 530 Cb 0.48 -0.13 -0.13 0.00 -0.91 0.00 0.00 33.84 33.15 2ppb n VAL 530 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2ppb s ASP 531 N -1.00 -0.11 0.00 4.52 1.01 -1.25 -4.81 116.67 115.03 2ppb s ASP 531 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2ppb s ASP 531 Cb 0.00 0.21 0.00 0.00 1.01 0.00 0.00 42.92 44.14 2ppb s ASP 531 CO 0.00 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.92 2ppb n GLY 532 N 3.34 1.11 0.00 0.21 0.00 -1.26 -0.87 105.19 107.72 2ppb n GLY 532 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ppb n GLY 532 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppb n GLY 533 N -2.00 0.41 3.77 -0.02 0.00 -1.26 -5.12 105.19 100.96 2ppb n GLY 533 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2ppb n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ppb s ARG 534 N 0.00 3.86 -0.10 1.61 0.52 -0.05 -4.84 118.95 119.95 2ppb s ARG 534 Ca 0.00 2.07 0.02 0.00 -0.52 0.00 0.00 55.73 57.30 2ppb s ARG 534 Cb 0.00 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.84 2ppb s ARG 534 CO 0.00 -0.55 -0.16 -0.06 0.02 0.00 0.00 175.30 174.54 2ppb s PHE 535 N -1.33 2.03 -0.19 -0.53 0.40 -1.26 0.34 117.98 117.44 2ppb s PHE 535 Ca 0.59 -0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 55.96 2ppb s PHE 535 Cb -0.36 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 2ppb s PHE 535 CO 0.45 -0.45 -0.00 0.00 0.70 0.00 0.00 175.22 175.92 2ppb s ALA 536 N 0.84 3.04 -0.02 5.36 0.00 -0.72 -4.95 121.76 125.31 2ppb s ALA 536 Ca -0.10 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2ppb s ALA 536 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2ppb s ALA 536 CO 0.01 -0.08 -0.21 -0.08 0.00 0.00 0.00 175.76 175.39 2ppb s THR 537 N 0.88 1.68 0.19 0.00 -1.32 -1.21 -0.91 115.64 114.94 2ppb s THR 537 Ca 0.01 -0.90 -0.33 0.00 -1.21 0.00 0.00 61.69 59.26 2ppb s THR 537 Cb -0.14 -1.39 -0.13 0.00 -1.51 0.00 0.00 72.50 69.32 2ppb s THR 537 CO 0.02 0.47 1.64 -0.24 -2.21 0.00 0.00 174.62 174.31 2ppb n SER 538 N 2.60 3.54 0.16 8.08 2.88 -0.19 -4.76 113.62 125.92 2ppb n SER 538 Ca -0.15 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 2ppb n SER 538 Cb 0.53 -1.50 0.42 0.00 -0.75 0.00 0.00 64.21 62.90 2ppb n SER 538 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2ppb h ASP 539 N 6.24 0.00 -0.83 -3.46 3.45 -1.92 0.03 116.42 119.92 2ppb h ASP 539 Ca -0.44 0.00 0.17 0.00 0.43 0.00 0.00 57.03 57.19 2ppb h ASP 539 Cb 1.23 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.89 2ppb h ASP 539 CO 0.91 0.00 0.36 0.25 -1.57 0.00 0.00 179.24 179.20 2ppb h LEU 540 N 0.00 0.35 -1.10 1.55 5.85 -1.86 -1.29 115.31 118.81 2ppb h LEU 540 Ca 0.15 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2ppb h LEU 540 Cb 1.78 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.86 2ppb h LEU 540 CO -0.00 0.09 0.51 0.78 -0.34 0.00 0.00 178.44 179.48 2ppb h ASN 541 N 0.47 0.99 -0.74 1.25 2.35 -1.33 0.11 115.58 118.68 2ppb h ASN 541 Ca 0.48 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.15 2ppb h ASN 541 Cb 0.79 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 2ppb h ASN 541 CO -0.45 0.76 0.37 0.44 -1.65 0.00 0.00 177.43 176.90 2ppb h ASP 542 N 1.15 0.98 -0.34 5.81 3.45 -1.41 -1.18 116.42 124.87 2ppb h ASP 542 Ca 0.30 -0.11 -0.11 0.00 0.43 0.00 0.00 57.03 57.54 2ppb h ASP 542 Cb -0.06 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.45 2ppb h ASP 542 CO -0.06 0.82 -0.21 -0.07 -1.57 0.00 0.00 179.24 178.15 2ppb h LEU 543 N 1.08 0.78 -0.31 1.55 3.38 -1.15 -2.63 115.31 118.01 2ppb h LEU 543 Ca 0.26 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ppb h LEU 543 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ppb h LEU 543 CO -0.03 1.04 0.18 1.88 0.09 0.00 0.00 178.44 181.59 2ppb h TYR 544 N 0.53 0.43 -0.63 1.13 0.05 -0.50 -2.27 116.97 115.71 2ppb h TYR 544 Ca 0.07 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.93 2ppb h TYR 544 Cb 0.77 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 2ppb h TYR 544 CO 0.06 0.34 0.26 0.00 -1.05 0.00 0.00 178.16 177.77 2ppb h ARG 545 N 0.39 0.45 -0.29 4.88 3.08 -1.19 0.80 114.38 122.49 2ppb h ARG 545 Ca 0.11 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2ppb h ARG 545 Cb 0.05 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 2ppb h ARG 545 CO -0.02 0.30 -0.45 0.00 -1.07 0.00 0.00 179.97 178.73 2ppb h ARG 546 N 0.46 -0.40 0.31 0.04 2.47 -1.05 0.44 114.38 116.65 2ppb h ARG 546 Ca 0.31 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2ppb h ARG 546 Cb 0.37 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 2ppb h ARG 546 CO -0.29 -0.27 -0.37 1.25 0.56 0.00 0.00 179.97 180.85 2ppb h LEU 547 N -0.41 -1.03 -0.30 3.04 5.85 -0.82 0.08 115.31 121.72 2ppb h LEU 547 Ca 0.10 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2ppb h LEU 547 Cb 0.61 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 2ppb h LEU 547 CO -0.51 -0.50 -0.33 0.40 -0.34 0.00 0.00 178.44 177.16 2ppb h ILE 548 N -0.73 0.24 0.06 4.05 1.08 -0.33 0.21 117.51 122.08 2ppb h ILE 548 Ca -0.02 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2ppb h ILE 548 Cb 0.68 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 2ppb h ILE 548 CO -0.10 0.00 -0.23 -1.13 -0.69 0.00 0.00 178.15 176.00 2ppb h ASN 549 N -0.31 -0.66 0.18 1.72 -0.00 0.02 -0.51 115.58 116.03 2ppb h ASN 549 Ca 0.14 0.08 0.01 0.00 -0.00 0.00 0.00 56.30 56.54 2ppb h ASN 549 Cb 0.54 0.26 -0.04 0.00 -0.00 0.00 0.00 38.32 39.09 2ppb h ASN 549 CO -0.47 -0.31 -0.39 0.03 -0.00 0.00 0.00 177.43 176.29 2ppb h ARG 550 N -0.39 -0.64 -0.24 6.67 2.47 -0.25 0.11 114.38 122.12 2ppb h ARG 550 Ca 0.04 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 2ppb h ARG 550 Cb 0.44 0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 28.84 2ppb h ARG 550 CO -0.17 -0.43 -0.26 -0.97 0.56 0.00 0.00 179.97 178.71 2ppb h ASN 551 N -0.66 -0.82 0.40 7.04 -1.24 -0.41 0.23 115.58 120.11 2ppb h ASN 551 Ca 0.01 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 2ppb h ASN 551 Cb 0.66 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 2ppb h ASN 551 CO -0.19 -0.29 -0.41 0.78 -1.29 0.00 0.00 177.43 176.03 2ppb h ASN 552 N -0.27 -1.11 -1.01 1.15 4.21 -0.84 -1.45 115.58 116.25 2ppb h ASN 552 Ca 0.13 0.09 0.26 0.00 1.21 0.00 0.00 56.30 58.00 2ppb h ASN 552 Cb 0.48 0.37 -0.08 0.00 -1.12 0.00 0.00 38.32 37.97 2ppb h ASN 552 CO -0.39 -0.56 0.67 0.03 -1.29 0.00 0.00 177.43 175.89 2ppb h ARG 553 N -0.83 0.33 0.83 0.81 3.08 -0.45 -1.41 114.38 116.74 2ppb h ARG 553 Ca -0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2ppb h ARG 553 Cb 0.74 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.72 2ppb h ARG 553 CO -0.07 0.22 -0.40 1.25 -1.07 0.00 0.00 179.97 179.90 2ppb h LEU 554 N 0.34 -0.94 -0.88 3.04 5.85 0.03 -0.01 115.31 122.74 2ppb h LEU 554 Ca 0.55 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.46 2ppb h LEU 554 Cb 1.51 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 42.62 2ppb h LEU 554 CO -0.22 -0.58 -0.32 0.11 -0.34 0.00 0.00 178.44 177.09 2ppb h LYS 555 N -1.30 -0.03 -0.62 1.25 1.57 -0.35 0.42 116.57 117.50 2ppb h LYS 555 Ca -0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2ppb h LYS 555 Cb 0.85 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2ppb h LYS 555 CO 0.19 -0.02 0.33 0.87 -0.57 0.00 0.00 179.45 180.24 2ppb h LYS 556 N -0.03 0.88 0.00 3.15 1.57 -1.31 -0.08 116.57 120.74 2ppb h LYS 556 Ca 0.36 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2ppb h LYS 556 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 2ppb h LYS 556 CO -0.91 0.68 -0.16 1.25 -0.57 0.00 0.00 179.45 179.74 2ppb h LEU 557 N 0.85 0.00 -0.03 2.94 6.46 0.17 0.68 115.31 126.37 2ppb h LEU 557 Ca 0.22 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.73 2ppb h LEU 557 Cb 0.07 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2ppb h LEU 557 CO -0.03 0.16 -1.08 -0.07 -0.62 0.00 0.00 178.44 176.79 2ppb h LEU 558 N 0.00 0.40 -0.09 2.25 3.38 -0.02 -3.19 115.31 118.04 2ppb h LEU 558 Ca -0.00 -0.38 -0.24 0.00 0.09 0.00 0.00 57.88 57.35 2ppb h LEU 558 Cb 0.28 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ppb h LEU 558 CO 0.02 1.24 -1.02 0.00 0.09 0.00 0.00 178.44 178.77 2ppb h ALA 559 N 0.72 0.27 0.53 1.53 0.00 -0.06 -3.33 119.26 118.90 2ppb h ALA 559 Ca -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2ppb h ALA 559 Cb 1.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2ppb h ALA 559 CO 0.18 0.81 -0.26 1.96 0.00 0.00 0.00 179.25 181.94 2ppb h GLN 560 N 0.23 -0.69 0.00 0.00 1.08 0.23 -3.48 115.11 112.48 2ppb h GLN 560 Ca -0.10 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2ppb h GLN 560 Cb 1.68 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 2ppb h GLN 560 CO 0.18 -0.46 0.00 0.41 -0.95 0.00 0.00 178.83 178.01 2ppb n GLY 561 N -1.40 2.98 2.96 3.46 0.00 -1.21 -5.11 105.19 106.87 2ppb n GLY 561 Ca -0.12 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2ppb n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 562 N -1.73 2.74 -0.16 4.61 0.00 -1.26 -4.57 121.76 121.38 2ppb s ALA 562 Ca 0.00 -2.52 -0.28 0.00 0.00 0.00 0.00 51.96 49.16 2ppb s ALA 562 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2ppb s ALA 562 CO 0.00 -1.74 0.98 -1.25 0.00 0.00 0.00 175.76 173.74 2ppb s PRO 563 N 0.82 4.34 0.16 0.00 0.04 -1.26 -4.95 135.00 134.14 2ppb s PRO 563 Ca 0.12 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 2ppb s PRO 563 Cb -0.20 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.77 2ppb s PRO 563 CO -0.09 -0.42 1.35 0.39 0.04 0.00 0.00 177.00 178.26 2ppb n GLU 564 N 5.50 -0.34 -0.14 4.56 -0.58 -1.26 -1.60 120.64 126.78 2ppb n GLU 564 Ca 0.09 1.32 -0.05 0.00 -0.42 0.00 0.00 57.16 58.10 2ppb n GLU 564 Cb 0.48 -1.95 0.01 0.00 -0.57 0.00 0.00 31.44 29.41 2ppb n GLU 564 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2ppb h ILE 565 N 0.00 0.33 0.00 -3.67 5.03 -2.00 -1.82 117.51 115.38 2ppb h ILE 565 Ca 0.18 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.85 2ppb h ILE 565 Cb 0.40 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 34.51 2ppb h ILE 565 CO -0.83 0.00 -0.35 0.40 -0.68 0.00 0.00 178.15 176.69 2ppb h ILE 566 N -0.14 0.92 -0.11 -0.67 2.04 -1.71 -0.94 117.51 116.89 2ppb h ILE 566 Ca 0.21 -1.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.62 2ppb h ILE 566 Cb 0.48 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2ppb h ILE 566 CO -0.55 0.34 -0.30 0.40 0.00 0.00 0.00 178.15 178.05 2ppb h ILE 567 N 0.00 1.39 0.61 -0.67 2.04 -0.81 -2.99 117.51 117.08 2ppb h ILE 567 Ca -0.00 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 2ppb h ILE 567 Cb 0.79 2.15 0.01 0.00 -0.74 0.00 0.00 36.82 39.02 2ppb h ILE 567 CO 0.05 0.47 -0.29 -0.09 0.00 0.00 0.00 178.15 178.28 2ppb h ARG 568 N -0.04 -0.79 -1.19 2.37 9.65 -1.31 -1.10 114.38 121.97 2ppb h ARG 568 Ca -0.01 0.05 0.43 0.00 -1.10 0.00 0.00 59.98 59.36 2ppb h ARG 568 Cb 0.91 0.18 -0.15 0.00 -1.39 0.00 0.00 29.97 29.52 2ppb h ARG 568 CO 0.06 -0.48 0.72 -0.97 2.80 0.00 0.00 179.97 182.11 2ppb h ASN 569 N -1.07 0.29 0.05 -3.80 -0.73 -1.28 0.56 115.58 109.59 2ppb h ASN 569 Ca -0.08 0.19 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 2ppb h ASN 569 Cb 0.68 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.46 2ppb h ASN 569 CO 0.14 -0.28 -0.02 -0.33 -0.37 0.00 0.00 177.43 176.56 2ppb h GLU 570 N 0.06 -0.06 -0.66 6.67 4.39 -1.42 -2.62 114.58 120.94 2ppb h GLU 570 Ca 0.84 0.00 0.19 0.00 0.34 0.00 0.00 59.36 60.73 2ppb h GLU 570 Cb 2.43 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 31.07 2ppb h GLU 570 CO -0.57 0.55 0.57 0.87 -1.16 0.00 0.00 179.01 179.26 2ppb h LYS 571 N -0.91 0.00 0.67 2.33 1.57 0.62 0.54 116.57 121.39 2ppb h LYS 571 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2ppb h LYS 571 Cb 0.64 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2ppb h LYS 571 CO 0.01 0.00 -0.32 0.00 -0.57 0.00 0.00 179.45 178.57 2ppb h ARG 572 N 0.00 -0.87 -1.00 3.15 3.08 -0.00 -0.41 114.38 118.33 2ppb h ARG 572 Ca 0.31 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.60 2ppb h ARG 572 Cb 1.44 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 31.59 2ppb h ARG 572 CO -0.00 -0.58 0.62 0.52 -1.07 0.00 0.00 179.97 179.46 2ppb h MET 573 N -1.02 0.79 0.58 0.04 2.86 -0.38 -1.18 114.93 116.62 2ppb h MET 573 Ca -0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2ppb h MET 573 Cb 0.69 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2ppb h MET 573 CO 0.15 0.52 -0.47 1.25 1.06 0.00 0.00 176.91 179.42 2ppb h LEU 574 N 0.81 -1.24 -0.49 1.22 5.85 0.01 -0.83 115.31 120.64 2ppb h LEU 574 Ca 0.56 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.44 2ppb h LEU 574 Cb 0.82 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 2ppb h LEU 574 CO -0.36 -0.66 -0.52 -0.61 -0.34 0.00 0.00 178.44 175.95 2ppb h GLN 575 N -1.03 -0.31 -0.65 1.25 5.75 0.10 0.12 115.11 120.35 2ppb h GLN 575 Ca -0.07 0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.58 2ppb h GLN 575 Cb 0.86 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.39 2ppb h GLN 575 CO 0.00 -0.21 0.14 1.49 -2.65 0.00 0.00 178.83 177.61 2ppb h GLU 576 N -0.32 0.25 -0.18 1.69 4.22 -1.26 -1.05 114.58 117.93 2ppb h GLU 576 Ca 0.11 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.59 2ppb h GLU 576 Cb 0.58 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2ppb h GLU 576 CO -0.64 0.17 -0.21 0.00 -2.18 0.00 0.00 179.01 176.15 2ppb h ALA 577 N 1.53 -0.12 -0.81 2.92 0.00 0.66 0.11 119.26 123.56 2ppb h ALA 577 Ca 0.35 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.53 2ppb h ALA 577 Cb 0.55 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2ppb h ALA 577 CO -0.44 -0.65 0.56 0.28 0.00 0.00 0.00 179.25 179.00 2ppb h VAL 578 N -0.24 0.65 -0.16 0.00 2.07 0.21 0.26 116.25 119.05 2ppb h VAL 578 Ca 0.12 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 2ppb h VAL 578 Cb 0.41 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2ppb h VAL 578 CO -0.32 0.03 -0.46 0.44 0.02 0.00 0.00 177.57 177.28 2ppb h ASP 579 N 0.18 0.67 -0.75 0.57 3.32 -0.08 -3.27 116.42 117.06 2ppb h ASP 579 Ca 0.40 -0.59 0.08 0.00 0.02 0.00 0.00 57.03 56.94 2ppb h ASP 579 Cb 1.30 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 2ppb h ASP 579 CO -0.07 1.15 -0.54 0.00 -1.72 0.00 0.00 179.24 178.05 2ppb h ALA 580 N 0.55 -0.53 0.19 3.45 0.00 0.94 0.74 119.26 124.59 2ppb h ALA 580 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ppb h ALA 580 Cb 1.08 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2ppb h ALA 580 CO 0.10 -0.95 -0.09 -0.07 0.00 0.00 0.00 179.25 178.24 2ppb h LEU 581 N -0.16 -0.21 0.21 0.00 3.38 -1.66 -3.26 115.31 113.61 2ppb h LEU 581 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2ppb h LEU 581 Cb 0.51 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ppb h LEU 581 CO -0.80 -0.14 -0.15 -0.07 0.09 0.00 0.00 178.44 177.37 2ppb h LEU 582 N -0.27 -0.40 -7.29 1.67 3.38 -1.38 0.74 115.31 111.77 2ppb h LEU 582 Ca -0.03 0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2ppb h LEU 582 Cb 0.20 0.12 -0.36 0.00 0.09 0.00 0.00 40.66 40.72 2ppb h LEU 582 CO 0.04 -0.22 -0.66 -0.62 0.09 0.00 0.00 178.44 177.07 2ppb s ASP 583 N -2.78 0.75 -0.04 -0.43 -1.08 0.25 0.11 116.67 113.44 2ppb s ASP 583 Ca -0.06 0.27 -0.14 0.00 -0.52 0.00 0.00 52.55 52.11 2ppb s ASP 583 Cb 0.01 0.17 -0.05 0.00 -1.46 0.00 0.00 42.92 41.59 2ppb s ASP 583 CO 0.18 -0.23 0.36 0.21 0.52 0.00 0.00 175.17 176.21 2ppb s ASN 584 N 2.14 6.70 0.00 -0.34 2.47 -1.23 -4.05 114.94 120.63 2ppb s ASN 584 Ca 0.02 0.84 0.00 0.00 0.42 0.00 0.00 52.86 54.14 2ppb s ASN 584 Cb -0.12 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 2ppb s ASN 584 CO -0.05 0.30 0.00 0.61 -3.72 0.00 0.00 177.10 174.24 2ppb n GLY 585 N 2.06 2.55 0.24 1.21 0.00 -0.83 -4.88 105.19 105.54 2ppb n GLY 585 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 2ppb n GLY 585 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ppb h ARG 586 N 3.04 0.00 -1.98 1.61 2.47 -1.98 -3.37 114.38 114.16 2ppb h ARG 586 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 2ppb h ARG 586 Cb 0.00 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 28.01 2ppb h ARG 586 CO 0.00 0.18 -0.62 0.50 0.56 0.00 0.00 179.97 180.59 2ppb s ARG 587 N -4.41 0.42 0.38 0.04 3.52 -1.26 -5.13 118.95 112.51 2ppb s ARG 587 Ca -0.03 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2ppb s ARG 587 Cb 0.15 -0.58 0.00 0.00 -1.56 0.00 0.00 34.95 32.96 2ppb s ARG 587 CO 0.65 -1.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 2ppb n GLY 588 N 5.07 -3.01 2.88 8.12 0.00 -1.26 -4.92 105.19 112.07 2ppb n GLY 588 Ca 0.02 -1.21 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 2ppb n GLY 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 589 N -3.67 1.42 0.75 4.61 0.00 -1.26 -1.96 121.76 121.65 2ppb s ALA 589 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 2ppb s ALA 589 Cb 0.00 -1.10 0.05 0.00 0.00 0.00 0.00 23.12 22.07 2ppb s ALA 589 CO 0.00 -0.78 1.15 -2.14 0.00 0.00 0.00 175.76 173.99 2ppb s PRO 590 N 1.66 2.12 0.01 0.00 0.02 -1.26 -4.98 135.00 132.57 2ppb s PRO 590 Ca 0.01 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.55 2ppb s PRO 590 Cb -0.15 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2ppb s PRO 590 CO -0.08 -1.80 -0.02 0.08 -0.33 0.00 0.00 177.00 174.86 2ppb s VAL 591 N -2.36 0.07 0.51 3.83 1.01 -1.26 -3.58 120.40 118.61 2ppb s VAL 591 Ca 0.69 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 2ppb s VAL 591 Cb -0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.95 2ppb s VAL 591 CO 0.48 -0.19 1.15 -0.89 0.00 0.00 0.00 175.10 175.65 2ppb s THR 592 N -0.59 3.11 0.75 3.92 2.01 -1.26 -4.95 115.64 118.63 2ppb s THR 592 Ca -0.06 0.76 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 2ppb s THR 592 Cb -0.04 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2ppb s THR 592 CO -0.00 -0.09 0.29 0.59 -0.69 0.00 0.00 174.62 174.72 2ppb n ASN 593 N -0.92 -2.13 -1.09 3.53 4.13 -1.26 -4.49 115.26 113.03 2ppb n ASN 593 Ca 0.10 0.53 -0.09 0.00 1.68 0.00 0.00 54.58 56.80 2ppb n ASN 593 Cb 0.49 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.57 2ppb n ASN 593 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2ppb n PRO 594 N -0.20 0.00 0.00 3.52 -0.02 -1.26 -3.97 135.00 133.07 2ppb n PRO 594 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2ppb n PRO 594 Cb 0.51 -0.33 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 2ppb n PRO 594 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 595 N 1.51 -0.04 2.87 -1.23 0.00 -1.26 -5.09 105.19 101.96 2ppb n GLY 595 Ca 0.16 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2ppb n GLY 595 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ppb s SER 596 N -1.54 0.63 -1.06 1.61 0.01 -1.25 -5.03 113.70 107.06 2ppb s SER 596 Ca 0.00 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 2ppb s SER 596 Cb 0.00 0.91 -0.07 0.00 0.21 0.00 0.00 66.02 67.07 2ppb s SER 596 CO 0.00 -0.32 2.06 0.47 0.41 0.00 0.00 173.24 175.86 2ppb n ASP 597 N 5.35 3.14 -4.40 2.44 8.00 -1.26 -4.18 116.55 125.63 2ppb n ASP 597 Ca -0.03 -2.74 -0.31 0.00 0.71 0.00 0.00 54.79 52.42 2ppb n ASP 597 Cb 0.49 -1.34 -0.14 0.00 -0.02 0.00 0.00 41.12 40.12 2ppb n ASP 597 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2ppb s ARG 598 N 4.22 2.03 -0.06 -1.24 3.52 -1.26 -5.06 118.95 121.09 2ppb s ARG 598 Ca 0.53 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.84 2ppb s ARG 598 Cb 0.14 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2ppb s ARG 598 CO 0.03 0.54 1.38 -2.14 -0.81 0.00 0.00 175.30 174.30 2ppb s PRO 599 N -1.20 4.26 -0.07 5.12 0.02 -1.26 -4.05 135.00 137.82 2ppb s PRO 599 Ca 0.13 1.88 -0.33 0.00 0.02 0.00 0.00 61.00 62.70 2ppb s PRO 599 Cb -0.10 -3.69 -0.11 0.00 0.02 0.00 0.00 34.50 30.62 2ppb s PRO 599 CO 0.03 -0.64 1.94 1.28 -0.33 0.00 0.00 177.00 179.29 2ppb n LEU 600 N 5.96 3.60 -4.54 -5.54 4.77 -1.23 -4.76 117.00 115.26 2ppb n LEU 600 Ca 0.14 0.89 -0.38 0.00 -0.03 0.00 0.00 56.01 56.62 2ppb n LEU 600 Cb 0.44 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.06 2ppb n LEU 600 CO 0.58 -0.04 2.04 -1.14 -1.33 0.00 0.00 177.39 177.50 2ppb n ARG 601 N 7.10 0.92 -1.71 3.23 0.63 -1.26 -4.83 116.66 120.74 2ppb n ARG 601 Ca 0.23 0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.91 2ppb n ARG 601 Cb 0.33 -3.05 0.08 0.00 0.45 0.00 0.00 32.46 30.27 2ppb n ARG 601 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2ppb s SER 602 N 11.21 4.65 0.24 6.15 1.04 -1.26 -4.49 113.70 131.23 2ppb s SER 602 Ca 1.05 1.11 -0.05 0.00 0.48 0.00 0.00 55.95 58.54 2ppb s SER 602 Cb -0.41 -1.80 0.43 0.00 0.10 0.00 0.00 66.02 64.34 2ppb s SER 602 CO 0.32 -1.85 1.72 -0.07 0.98 0.00 0.00 173.24 174.34 2ppb h LEU 603 N -1.01 0.19 -0.18 2.42 3.38 0.85 -0.90 115.31 120.07 2ppb h LEU 603 Ca -0.47 0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.66 2ppb h LEU 603 Cb 1.28 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 2ppb h LEU 603 CO 0.62 0.07 -0.08 0.74 0.09 0.00 0.00 178.44 179.88 2ppb h THR 604 N 0.38 0.73 -0.19 0.22 2.02 0.53 -2.24 112.91 114.37 2ppb h THR 604 Ca 0.40 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.62 2ppb h THR 604 Cb 0.61 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 2ppb h THR 604 CO -0.42 0.00 -0.11 0.44 0.37 0.00 0.00 175.52 175.80 2ppb h ASP 605 N -0.06 -0.36 -1.01 4.18 3.32 -1.48 -0.46 116.42 120.55 2ppb h ASP 605 Ca 0.10 0.08 0.23 0.00 0.02 0.00 0.00 57.03 57.46 2ppb h ASP 605 Cb 0.21 0.19 -0.12 0.00 0.22 0.00 0.00 39.33 39.83 2ppb h ASP 605 CO -0.22 -0.14 0.61 0.40 -1.72 0.00 0.00 179.24 178.16 2ppb h ILE 606 N -0.10 0.59 0.00 0.35 2.04 -0.87 -1.39 117.51 118.13 2ppb h ILE 606 Ca 0.11 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2ppb h ILE 606 Cb 0.26 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2ppb h ILE 606 CO -0.25 0.11 -0.82 -0.07 0.00 0.00 0.00 178.15 177.12 2ppb h LEU 607 N 0.62 0.00 -9.49 1.44 3.38 -0.69 0.30 115.31 110.87 2ppb h LEU 607 Ca 0.62 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 57.87 2ppb h LEU 607 Cb 1.15 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 2ppb h LEU 607 CO -0.43 0.07 -0.66 -0.55 0.09 0.00 0.00 178.44 176.96 2ppb s SER 608 N -4.68 4.24 0.00 -0.43 0.15 -0.28 -1.87 113.70 110.83 2ppb s SER 608 Ca 0.03 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2ppb s SER 608 Cb 0.12 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2ppb s SER 608 CO 0.76 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.76 2ppb n GLY 609 N -0.85 -2.12 0.13 9.45 0.00 -1.26 -3.54 105.19 106.99 2ppb n GLY 609 Ca -0.05 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 2ppb n GLY 609 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ppb h LYS 610 N 0.00 -0.04 -3.14 1.61 3.64 -1.97 -2.73 116.57 113.94 2ppb h LYS 610 Ca 0.00 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 2ppb h LYS 610 Cb 0.00 0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 31.48 2ppb h LYS 610 CO 0.00 -0.03 0.02 0.00 -2.27 0.00 0.00 179.45 177.17 2ppb n GLN 611 N -3.60 2.97 -0.01 1.90 10.64 -1.26 -4.83 117.38 123.19 2ppb n GLN 611 Ca 0.00 -4.51 0.00 0.00 -1.83 0.00 0.00 57.00 50.66 2ppb n GLN 611 Cb 0.09 -2.42 0.00 0.00 -0.86 0.00 0.00 30.24 27.05 2ppb n GLN 611 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ppb n GLY 612 N 2.00 6.92 0.10 2.61 0.00 -1.03 -4.95 105.19 110.85 2ppb n GLY 612 Ca 0.24 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 2ppb n GLY 612 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ppb n ARG 613 N 0.00 0.67 0.11 1.61 3.00 0.11 -2.53 116.66 119.63 2ppb n ARG 613 Ca 0.00 0.13 0.12 0.00 -0.00 0.00 0.00 57.85 58.10 2ppb n ARG 613 Cb 0.00 -1.62 0.46 0.00 0.00 0.00 0.00 32.46 31.29 2ppb n ARG 613 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2ppb n PHE 614 N -2.96 0.81 -0.03 -0.14 3.72 -0.78 -2.65 117.46 115.43 2ppb n PHE 614 Ca -0.29 0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 2ppb n PHE 614 Cb 1.10 -0.95 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 2ppb n PHE 614 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2ppb n ARG 615 N -2.20 0.66 -0.00 -1.08 3.00 -1.25 -3.39 116.66 112.39 2ppb n ARG 615 Ca 0.04 0.26 -0.03 0.00 -0.00 0.00 0.00 57.85 58.11 2ppb n ARG 615 Cb 0.31 -1.75 0.20 0.00 0.00 0.00 0.00 32.46 31.22 2ppb n ARG 615 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2ppb h GLN 616 N 0.01 0.53 0.37 -0.14 5.75 -1.26 -2.35 115.11 118.02 2ppb h GLN 616 Ca -0.34 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 2ppb h GLN 616 Cb 2.04 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.55 2ppb h GLN 616 CO 0.07 0.71 -0.18 -0.91 -2.65 0.00 0.00 178.83 175.87 2ppb h ASN 617 N 0.48 -0.42 -0.67 -0.69 4.21 -1.68 -1.97 115.58 114.84 2ppb h ASN 617 Ca 0.08 -0.12 0.14 0.00 1.21 0.00 0.00 56.30 57.61 2ppb h ASN 617 Cb 0.62 0.11 -0.11 0.00 -1.12 0.00 0.00 38.32 37.82 2ppb h ASN 617 CO 0.04 0.03 0.05 -0.07 -1.29 0.00 0.00 177.43 176.19 2ppb h LEU 618 N -1.02 -0.20 -0.92 1.61 4.07 -1.57 -1.07 115.31 116.21 2ppb h LEU 618 Ca -0.05 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2ppb h LEU 618 Cb 0.51 0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2ppb h LEU 618 CO 0.08 -0.10 -0.33 0.18 -1.08 0.00 0.00 178.44 177.20 2ppb n LEU 619 N -5.25 1.76 -1.89 1.67 4.77 -0.89 -4.80 117.00 112.36 2ppb n LEU 619 Ca 0.11 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2ppb n LEU 619 Cb 0.40 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2ppb n LEU 619 CO 0.11 0.32 -0.03 0.61 -1.33 0.00 0.00 177.39 177.07 2ppb n GLY 620 N 1.37 0.00 0.94 -0.72 0.00 -0.41 -4.88 105.19 101.49 2ppb n GLY 620 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 2ppb n GLY 620 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ppb n LYS 621 N 1.84 2.37 -3.46 1.61 4.76 -1.26 -4.86 118.16 119.16 2ppb n LYS 621 Ca 0.00 -2.13 -0.19 0.00 -2.87 0.00 0.00 58.31 53.12 2ppb n LYS 621 Cb 0.03 -1.41 -0.12 0.00 -1.84 0.00 0.00 35.03 31.69 2ppb n LYS 621 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ppb s ARG 622 N -1.18 0.24 0.45 1.97 0.52 -1.26 -5.12 118.95 114.58 2ppb s ARG 622 Ca 0.32 -0.03 -0.24 0.00 -0.52 0.00 0.00 55.73 55.26 2ppb s ARG 622 Cb 0.18 -0.98 -0.08 0.00 0.52 0.00 0.00 34.95 34.60 2ppb s ARG 622 CO 0.25 -0.85 1.25 0.08 0.02 0.00 0.00 175.30 176.05 2ppb s VAL 623 N 2.31 2.74 -0.04 3.52 1.01 -1.26 -4.99 120.40 123.68 2ppb s VAL 623 Ca 0.08 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 2ppb s VAL 623 Cb -0.15 -3.33 -0.32 0.00 0.00 0.00 0.00 36.38 32.58 2ppb s VAL 623 CO -0.24 0.04 0.88 -0.78 0.00 0.00 0.00 175.10 175.00 2ppb h ASP 624 N 2.26 0.52 -3.13 3.32 3.58 -2.00 -3.38 116.42 117.58 2ppb h ASP 624 Ca -0.50 -0.94 -0.77 0.00 0.42 0.00 0.00 57.03 55.24 2ppb h ASP 624 Cb 1.25 -0.17 -0.31 0.00 1.72 0.00 0.00 39.33 41.83 2ppb h ASP 624 CO 0.61 1.46 0.40 -1.22 -2.88 0.00 0.00 179.24 177.61 2ppb n TYR 625 N -4.05 3.72 -4.34 0.28 4.02 -1.26 -5.00 117.16 110.53 2ppb n TYR 625 Ca -0.15 -3.43 -0.18 0.00 -0.01 0.00 0.00 57.90 54.13 2ppb n TYR 625 Cb 0.87 -1.32 -0.10 0.00 -0.02 0.00 0.00 39.34 38.77 2ppb n TYR 625 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2ppb s SER 626 N -0.56 2.33 0.16 7.72 1.04 -1.26 -2.93 113.70 120.19 2ppb s SER 626 Ca 0.31 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 55.45 2ppb s SER 626 Cb -0.01 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.07 2ppb s SER 626 CO -0.01 -0.30 0.52 -0.83 0.98 0.00 0.00 173.24 173.60 2ppb s GLY 627 N -3.31 -0.41 -0.28 7.32 0.00 -0.09 -4.93 107.32 105.62 2ppb s GLY 627 Ca 0.24 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2ppb s GLY 627 CO 0.07 -0.07 0.65 1.09 0.00 0.00 0.00 173.10 174.83 2ppb s ARG 628 N -3.79 0.62 0.18 2.90 1.70 -1.26 0.95 118.95 120.25 2ppb s ARG 628 Ca 0.03 1.32 0.03 0.00 -0.47 0.00 0.00 55.73 56.64 2ppb s ARG 628 Cb -0.00 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2ppb s ARG 628 CO -0.11 -0.18 0.19 0.45 -1.08 0.00 0.00 175.30 174.57 2ppb n SER 629 N 4.93 -0.49 -4.81 -2.89 2.88 -1.18 -5.01 113.62 107.05 2ppb n SER 629 Ca -0.16 -2.13 -0.36 0.00 -1.33 0.00 0.00 58.87 54.89 2ppb n SER 629 Cb 0.53 1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.98 2ppb n SER 629 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ppb s VAL 630 N -2.70 4.48 0.31 2.46 1.01 -1.26 -2.89 120.40 121.81 2ppb s VAL 630 Ca 0.20 1.41 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 2ppb s VAL 630 Cb 0.01 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2ppb s VAL 630 CO 0.14 0.15 0.53 0.27 0.00 0.00 0.00 175.10 176.18 2ppb s ILE 631 N -1.60 5.10 -0.13 2.22 -4.36 -1.04 -1.11 121.20 120.28 2ppb s ILE 631 Ca 0.46 -0.30 -0.09 0.00 -0.26 0.00 0.00 60.65 60.46 2ppb s ILE 631 Cb -0.16 -3.81 0.04 0.00 1.25 0.00 0.00 42.46 39.78 2ppb s ILE 631 CO 0.21 -0.44 0.33 -0.69 0.24 0.00 0.00 174.94 174.60 2ppb s VAL 632 N -2.19 -0.02 0.40 8.37 1.01 0.25 -4.80 120.40 123.43 2ppb s VAL 632 Ca 0.41 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 2ppb s VAL 632 Cb -0.10 -0.49 -0.10 0.00 0.00 0.00 0.00 36.38 35.69 2ppb s VAL 632 CO 0.33 0.02 1.34 0.55 0.00 0.00 0.00 175.10 177.34 2ppb n VAL 633 N 3.58 2.41 -3.25 2.92 3.14 -1.26 -1.81 118.33 124.05 2ppb n VAL 633 Ca -0.19 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.44 2ppb n VAL 633 Cb 0.56 -1.68 -0.06 0.00 -1.06 0.00 0.00 33.84 31.60 2ppb n VAL 633 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ppb n GLY 634 N 0.71 4.40 0.25 7.55 0.00 -0.84 -4.75 105.19 112.51 2ppb n GLY 634 Ca 0.05 -2.39 0.15 0.00 0.00 0.00 0.00 46.02 43.83 2ppb n GLY 634 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 635 N 0.70 -0.05 0.14 1.61 -0.02 -1.26 -0.02 135.00 136.10 2ppb n PRO 635 Ca 0.28 1.07 0.03 0.00 -2.02 0.00 0.00 63.50 62.86 2ppb n PRO 635 Cb 0.46 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.20 2ppb n PRO 635 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2ppb h GLN 636 N 0.00 0.00 -6.60 -0.52 1.08 -1.98 -3.46 115.11 103.63 2ppb h GLN 636 Ca 0.50 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 57.12 2ppb h GLN 636 Cb 1.14 0.00 0.15 0.00 -0.05 0.00 0.00 27.48 28.73 2ppb h GLN 636 CO -0.65 0.46 -0.08 -0.11 -0.95 0.00 0.00 178.83 177.50 2ppb n LEU 637 N -3.20 1.96 -4.77 1.46 7.94 0.97 -5.00 117.00 116.36 2ppb n LEU 637 Ca 0.02 0.89 -0.31 0.00 -1.11 0.00 0.00 56.01 55.49 2ppb n LEU 637 Cb 0.72 -1.28 -0.07 0.00 0.53 0.00 0.00 43.42 43.33 2ppb n LEU 637 CO 0.40 -2.20 -0.26 -0.54 -1.11 0.00 0.00 177.39 173.68 2ppb s LYS 638 N -2.13 2.92 0.42 1.96 1.02 -1.26 -4.89 119.74 117.77 2ppb s LYS 638 Ca 0.68 -0.64 0.28 0.00 0.02 0.00 0.00 55.97 56.30 2ppb s LYS 638 Cb -0.50 -2.76 1.42 0.00 -0.52 0.00 0.00 37.83 35.47 2ppb s LYS 638 CO 0.54 0.59 1.59 1.37 -0.92 0.00 0.00 175.35 178.52 2ppb h LEU 639 N 3.51 0.26 -1.03 3.17 8.10 -1.94 1.16 115.31 128.53 2ppb h LEU 639 Ca -0.47 0.18 0.09 0.00 0.11 0.00 0.00 57.88 57.79 2ppb h LEU 639 Cb 1.17 0.18 -0.07 0.00 -0.44 0.00 0.00 40.66 41.49 2ppb h LEU 639 CO 0.65 -0.28 0.64 -0.74 -4.11 0.00 0.00 178.44 174.60 2ppb h HIS 640 N 0.04 1.17 -0.76 0.17 2.76 -1.94 -3.37 115.15 113.21 2ppb h HIS 640 Ca 0.85 0.03 -0.63 0.00 -2.20 0.00 0.00 60.37 58.42 2ppb h HIS 640 Cb 2.57 -0.38 -0.10 0.00 1.55 0.00 0.00 27.41 31.05 2ppb h HIS 640 CO -0.01 0.55 -0.47 -0.65 -1.30 0.00 0.00 177.93 176.05 2ppb s GLN 641 N -5.99 2.19 0.01 5.26 -0.21 0.40 -0.95 119.66 120.36 2ppb s GLN 641 Ca -0.12 -2.18 -0.13 0.00 0.02 0.00 0.00 55.36 52.95 2ppb s GLN 641 Cb 0.21 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 32.48 2ppb s GLN 641 CO 0.81 -0.35 0.28 0.00 -2.12 0.00 0.00 175.29 173.91 2ppb s GLY 643 N -1.57 1.77 -0.16 0.00 0.00 0.46 -1.55 107.32 106.26 2ppb s GLY 643 Ca -0.11 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 2ppb s GLY 643 CO 0.02 1.43 -0.07 -2.27 0.00 0.00 0.00 173.10 172.20 2ppb s LEU 644 N 2.63 2.99 0.23 0.66 2.96 -1.24 0.90 118.68 127.81 2ppb s LEU 644 Ca 0.20 -0.25 -0.32 0.00 -0.22 0.00 0.00 54.13 53.55 2ppb s LEU 644 Cb -0.15 -1.71 -0.14 0.00 0.50 0.00 0.00 46.19 44.69 2ppb s LEU 644 CO 0.17 0.13 1.42 -2.65 -1.32 0.00 0.00 176.35 174.10 2ppb n PRO 645 N 3.77 2.02 -0.25 0.98 -0.02 -1.26 -1.70 135.00 138.54 2ppb n PRO 645 Ca -0.18 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 2ppb n PRO 645 Cb 0.52 -2.39 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 2ppb n PRO 645 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ppb h LYS 646 N 4.39 0.97 -1.00 -0.52 2.10 -1.09 0.78 116.57 122.19 2ppb h LYS 646 Ca -0.45 -0.11 0.16 0.00 -2.00 0.00 0.00 60.65 58.26 2ppb h LYS 646 Cb 1.28 -0.19 -0.10 0.00 -0.90 0.00 0.00 32.23 32.31 2ppb h LYS 646 CO 0.77 0.72 0.62 0.00 -2.00 0.00 0.00 179.45 179.56 2ppb h ARG 647 N 0.96 0.83 -0.23 0.07 3.08 -1.85 0.48 114.38 117.71 2ppb h ARG 647 Ca 0.25 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 2ppb h ARG 647 Cb 0.03 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2ppb h ARG 647 CO -0.04 0.55 -0.35 1.98 -1.07 0.00 0.00 179.97 181.03 2ppb h MET 648 N 0.85 0.64 -0.49 0.04 4.05 -1.72 -3.22 114.93 115.07 2ppb h MET 648 Ca 0.55 -0.38 0.05 0.00 -0.28 0.00 0.00 59.70 59.63 2ppb h MET 648 Cb 0.75 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 2ppb h MET 648 CO -0.34 1.00 0.23 0.00 0.23 0.00 0.00 176.91 178.03 2ppb h ALA 649 N 0.63 0.61 -0.27 0.39 0.00 0.17 -1.08 119.26 119.72 2ppb h ALA 649 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2ppb h ALA 649 Cb 0.94 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2ppb h ALA 649 CO 0.08 -0.13 -0.23 1.25 0.00 0.00 0.00 179.25 180.23 2ppb h LEU 650 N 0.46 -0.74 -0.17 0.00 6.46 -0.21 0.43 115.31 121.53 2ppb h LEU 650 Ca 0.22 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 2ppb h LEU 650 Cb 0.14 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2ppb h LEU 650 CO -0.17 -0.26 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.04 2ppb h GLU 651 N -0.22 0.32 -0.23 1.25 5.08 -1.58 -1.89 114.58 117.31 2ppb h GLU 651 Ca 0.15 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2ppb h GLU 651 Cb 0.45 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2ppb h GLU 651 CO -0.40 0.57 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.94 2ppb h LEU 652 N 0.05 -0.56 -3.91 1.33 4.07 -0.46 -2.61 115.31 113.22 2ppb h LEU 652 Ca 0.05 0.11 -0.58 0.00 0.08 0.00 0.00 57.88 57.54 2ppb h LEU 652 Cb 0.44 0.28 -0.29 0.00 1.08 0.00 0.00 40.66 42.17 2ppb h LEU 652 CO 0.01 -0.21 0.53 0.49 -1.08 0.00 0.00 178.44 178.19 2ppb n PHE 653 N -5.33 2.93 0.51 1.13 3.01 0.14 -4.77 117.46 115.09 2ppb n PHE 653 Ca -0.01 -2.50 -0.20 0.00 1.01 0.00 0.00 57.45 55.74 2ppb n PHE 653 Cb 0.24 -1.11 -0.10 0.00 -0.01 0.00 0.00 39.48 38.51 2ppb n PHE 653 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2ppb h LYS 654 N 1.66 -1.25 -0.63 -1.08 3.64 -0.93 -0.02 116.57 117.96 2ppb h LYS 654 Ca 0.55 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 60.08 2ppb h LYS 654 Cb 1.51 0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 33.56 2ppb h LYS 654 CO 1.26 -0.83 0.32 -1.35 -2.27 0.00 0.00 179.45 176.58 2ppb h PRO 655 N -1.30 0.57 -0.17 1.90 0.11 -1.86 0.36 132.00 131.61 2ppb h PRO 655 Ca -0.13 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.98 2ppb h PRO 655 Cb 0.99 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2ppb h PRO 655 CO 0.22 0.38 0.12 0.74 -0.21 0.00 0.00 178.00 179.24 2ppb h PHE 656 N 0.59 0.05 0.01 0.65 0.05 -1.90 -2.69 116.94 113.70 2ppb h PHE 656 Ca 0.29 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.06 2ppb h PHE 656 Cb 0.23 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.17 2ppb h PHE 656 CO -0.10 0.03 -0.10 1.25 -0.18 0.00 0.00 178.31 179.21 2ppb h LEU 657 N 0.05 0.07 -0.79 1.54 5.85 0.11 -3.19 115.31 118.95 2ppb h LEU 657 Ca 0.08 -0.90 0.08 0.00 0.84 0.00 0.00 57.88 57.97 2ppb h LEU 657 Cb 0.24 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2ppb h LEU 657 CO -0.01 0.96 -0.58 -0.07 -0.34 0.00 0.00 178.44 178.41 2ppb h LEU 658 N -0.82 -2.06 -0.28 2.25 3.38 -0.09 0.20 115.31 117.90 2ppb h LEU 658 Ca -0.02 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.32 2ppb h LEU 658 Cb 0.99 0.89 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 2ppb h LEU 658 CO 0.02 -0.29 -0.24 0.50 0.09 0.00 0.00 178.44 178.52 2ppb h LYS 659 N -0.14 -0.22 -0.72 1.13 1.63 -1.66 -0.78 116.57 115.82 2ppb h LYS 659 Ca 0.13 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.12 2ppb h LYS 659 Cb 0.47 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 2ppb h LYS 659 CO -0.82 -0.15 0.50 -0.22 -3.45 0.00 0.00 179.45 175.31 2ppb h LYS 660 N -0.23 0.19 -0.61 1.90 1.63 -0.97 0.60 116.57 119.08 2ppb h LYS 660 Ca 0.15 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2ppb h LYS 660 Cb 0.46 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 2ppb h LYS 660 CO -0.41 0.12 0.23 0.52 -3.45 0.00 0.00 179.45 176.46 2ppb h MET 661 N 0.19 0.92 -0.05 1.90 2.86 0.83 -2.95 114.93 118.63 2ppb h MET 661 Ca 0.35 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.70 2ppb h MET 661 Cb 1.10 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2ppb h MET 661 CO -0.06 0.79 -0.48 0.93 1.06 0.00 0.00 176.91 179.15 2ppb h GLU 662 N 0.85 0.12 0.00 1.72 3.07 -0.73 -2.52 114.58 117.09 2ppb h GLU 662 Ca 0.20 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2ppb h GLU 662 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2ppb h GLU 662 CO -0.01 0.58 0.00 0.39 -1.40 0.00 0.00 179.01 178.57 2ppb n GLU 663 N -3.97 0.13 -4.72 2.33 1.02 -0.81 -4.69 120.64 109.94 2ppb n GLU 663 Ca -0.02 0.41 -0.32 0.00 -0.02 0.00 0.00 57.16 57.22 2ppb n GLU 663 Cb 0.51 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 2ppb n GLU 663 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ppb s LYS 664 N -3.25 2.17 0.00 3.49 1.02 -0.95 -5.06 119.74 117.15 2ppb s LYS 664 Ca 0.04 -2.39 0.22 0.00 0.02 0.00 0.00 55.97 53.86 2ppb s LYS 664 Cb 0.08 -1.26 1.21 0.00 -0.52 0.00 0.00 37.83 37.34 2ppb s LYS 664 CO 0.32 -0.44 1.80 0.41 -0.92 0.00 0.00 175.35 176.52 2ppb n GLY 665 N -1.21 -0.71 0.25 -3.33 0.00 -1.26 -4.13 105.19 94.79 2ppb n GLY 665 Ca -0.17 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.68 2ppb n GLY 665 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ppb h ILE 666 N 0.55 1.12 -2.83 -0.61 2.04 -1.93 -3.44 117.51 112.42 2ppb h ILE 666 Ca 0.00 -0.52 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 2ppb h ILE 666 Cb 0.12 1.14 -0.22 0.00 -0.74 0.00 0.00 36.82 37.12 2ppb h ILE 666 CO 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 178.15 178.09 2ppb s ALA 667 N -4.84 -0.96 -0.00 1.87 0.00 -1.22 -4.99 121.76 111.61 2ppb s ALA 667 Ca -0.05 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 2ppb s ALA 667 Cb 0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 23.12 22.88 2ppb s ALA 667 CO 0.71 -0.24 1.11 -1.35 0.00 0.00 0.00 175.76 175.99 2ppb h PRO 668 N 4.50 -0.44 -4.93 0.00 0.11 -1.89 -3.35 132.00 125.99 2ppb h PRO 668 Ca -0.28 0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 2ppb h PRO 668 Cb 1.18 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 2ppb h PRO 668 CO 0.34 -0.12 -0.53 -0.80 -0.21 0.00 0.00 178.00 176.68 2ppb s ASN 669 N -5.05 1.96 0.07 -2.05 0.01 -1.26 -4.83 114.94 103.78 2ppb s ASN 669 Ca -0.13 -1.65 -0.34 0.00 -0.71 0.00 0.00 52.86 50.03 2ppb s ASN 669 Cb 0.02 0.47 -0.18 0.00 0.41 0.00 0.00 41.25 41.97 2ppb s ASN 669 CO 0.49 -0.95 1.52 0.58 -1.51 0.00 0.00 177.10 177.24 2ppb h VAL 670 N 2.06 0.00 -0.74 1.60 2.07 -1.92 0.24 116.25 119.57 2ppb h VAL 670 Ca -0.32 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.36 2ppb h VAL 670 Cb 1.25 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2ppb h VAL 670 CO 0.49 0.00 0.50 0.50 0.02 0.00 0.00 177.57 179.08 2ppb h LYS 671 N -1.12 0.31 0.19 1.57 1.63 -1.99 0.37 116.57 117.55 2ppb h LYS 671 Ca -0.10 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2ppb h LYS 671 Cb 0.90 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2ppb h LYS 671 CO 0.08 0.21 -0.09 0.00 -3.45 0.00 0.00 179.45 176.20 2ppb h ALA 672 N 1.65 -0.26 -0.22 5.00 0.00 -1.89 -2.50 119.26 121.05 2ppb h ALA 672 Ca 0.36 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2ppb h ALA 672 Cb 0.95 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ppb h ALA 672 CO -0.10 -0.53 0.16 0.00 0.00 0.00 0.00 179.25 178.78 2ppb h ALA 673 N 0.25 2.20 0.11 0.00 0.00 0.23 -1.19 119.26 120.86 2ppb h ALA 673 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ppb h ALA 673 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ppb h ALA 673 CO 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 179.25 178.97 2ppb h ARG 674 N 0.00 -0.14 -0.06 0.00 3.08 -0.26 -3.11 114.38 113.90 2ppb h ARG 674 Ca 0.10 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2ppb h ARG 674 Cb 0.42 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2ppb h ARG 674 CO -0.00 0.34 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.03 2ppb h ARG 675 N -0.72 0.08 0.00 0.04 2.43 -1.16 -1.23 114.38 113.83 2ppb h ARG 675 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2ppb h ARG 675 Cb 0.54 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2ppb h ARG 675 CO 0.02 0.21 -0.01 1.98 -1.51 0.00 0.00 179.97 180.66 2ppb h MET 676 N 0.08 0.00 -0.01 0.20 4.05 -1.21 -2.45 114.93 115.58 2ppb h MET 676 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2ppb h MET 676 Cb 0.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 2ppb h MET 676 CO 0.02 0.01 -0.25 1.28 0.23 0.00 0.00 176.91 178.19 2ppb n LEU 677 N -4.51 1.76 0.12 3.39 4.77 -0.68 -4.26 117.00 117.59 2ppb n LEU 677 Ca -0.03 -0.82 0.15 0.00 -0.03 0.00 0.00 56.01 55.28 2ppb n LEU 677 Cb 0.10 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.87 2ppb n LEU 677 CO 0.34 0.33 1.14 1.05 -1.33 0.00 0.00 177.39 178.92 2ppb h GLU 678 N 2.06 0.00 -6.64 3.23 4.11 -0.75 -3.41 114.58 113.19 2ppb h GLU 678 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 2ppb h GLU 678 Cb 0.56 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.61 2ppb h GLU 678 CO 0.00 0.00 -0.80 1.03 0.07 0.00 0.00 179.01 179.31 2ppb s ARG 679 N -5.02 1.95 0.23 1.06 0.52 -1.26 -5.05 118.95 111.39 2ppb s ARG 679 Ca -0.05 -1.06 0.10 0.00 -0.52 0.00 0.00 55.73 54.20 2ppb s ARG 679 Cb 0.18 -2.16 0.19 0.00 0.52 0.00 0.00 34.95 33.68 2ppb s ARG 679 CO 0.70 0.51 1.51 1.96 0.02 0.00 0.00 175.30 180.00 2ppb h GLN 680 N 4.18 0.00 0.00 3.54 4.20 -1.93 -3.16 115.11 121.94 2ppb h GLN 680 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2ppb h GLN 680 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2ppb h GLN 680 CO 0.47 0.72 0.00 0.54 -0.67 0.00 0.00 178.83 179.89 2ppb n ARG 681 N -3.63 0.31 0.00 1.46 1.74 -1.26 -3.43 116.66 111.84 2ppb n ARG 681 Ca -0.01 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 2ppb n ARG 681 Cb 0.71 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.70 2ppb n ARG 681 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2ppb n ASP 682 N -1.34 1.40 -4.65 0.55 8.00 -1.19 -4.93 116.55 114.39 2ppb n ASP 682 Ca 0.12 -1.13 -0.43 0.00 0.71 0.00 0.00 54.79 54.06 2ppb n ASP 682 Cb 0.25 0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 41.88 2ppb n ASP 682 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ppb s ILE 683 N -2.70 3.90 0.45 0.53 1.09 -1.22 -4.92 121.20 118.33 2ppb s ILE 683 Ca 0.15 1.06 -0.23 0.00 -1.10 0.00 0.00 60.65 60.54 2ppb s ILE 683 Cb 0.18 -3.79 -0.08 0.00 -1.06 0.00 0.00 42.46 37.71 2ppb s ILE 683 CO 0.67 -0.21 1.11 -0.54 -0.10 0.00 0.00 174.94 175.87 2ppb s LYS 684 N 4.09 3.88 0.42 2.79 1.02 -1.26 -4.88 119.74 125.80 2ppb s LYS 684 Ca 0.65 1.62 0.28 0.00 0.02 0.00 0.00 55.97 58.54 2ppb s LYS 684 Cb -0.25 -2.39 1.53 0.00 -0.52 0.00 0.00 37.83 36.21 2ppb s LYS 684 CO 0.24 -0.41 1.86 -0.44 -0.92 0.00 0.00 175.35 175.68 2ppb h ASP 685 N 2.09 0.00 0.52 2.83 5.19 -2.02 -1.18 116.42 123.85 2ppb h ASP 685 Ca -0.49 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 2ppb h ASP 685 Cb 1.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 2ppb h ASP 685 CO 0.61 0.00 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.20 2ppb h GLU 686 N 0.00 0.00 -0.54 3.56 5.08 -2.01 -3.01 114.58 117.66 2ppb h GLU 686 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2ppb h GLU 686 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2ppb h GLU 686 CO 0.00 0.19 -0.01 0.28 -1.00 0.00 0.00 179.01 178.47 2ppb h VAL 687 N 0.00 1.26 -0.47 3.13 2.07 -1.58 -2.68 116.25 117.99 2ppb h VAL 687 Ca -0.00 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2ppb h VAL 687 Cb 0.51 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2ppb h VAL 687 CO 0.03 0.40 0.15 -0.50 0.02 0.00 0.00 177.57 177.67 2ppb h TRP 688 N 0.84 0.69 -0.70 1.57 4.06 -1.69 -0.40 115.95 120.31 2ppb h TRP 688 Ca 0.15 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2ppb h TRP 688 Cb 0.55 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 2ppb h TRP 688 CO 0.04 0.56 0.44 -0.44 -3.56 0.00 0.00 178.44 175.49 2ppb h ASP 689 N 0.67 0.82 0.43 -3.49 3.32 -1.54 0.55 116.42 117.18 2ppb h ASP 689 Ca 0.16 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2ppb h ASP 689 Cb 0.19 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2ppb h ASP 689 CO -0.01 0.62 -0.20 0.00 -1.72 0.00 0.00 179.24 177.92 2ppb h ALA 690 N 1.24 -0.57 -0.27 3.45 0.00 -0.98 -0.87 119.26 121.25 2ppb h ALA 690 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ppb h ALA 690 Cb -0.07 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ppb h ALA 690 CO -0.05 -0.80 0.16 1.25 0.00 0.00 0.00 179.25 179.81 2ppb h LEU 691 N -0.61 0.33 -2.00 0.00 5.85 -1.02 0.20 115.31 118.06 2ppb h LEU 691 Ca -0.06 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.77 2ppb h LEU 691 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2ppb h LEU 691 CO 0.10 0.29 0.41 -0.08 -0.34 0.00 0.00 178.44 178.82 2ppb h GLU 692 N 0.34 0.00 0.20 1.25 4.57 -0.79 0.03 114.58 120.18 2ppb h GLU 692 Ca 0.10 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.95 2ppb h GLU 692 Cb 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2ppb h GLU 692 CO -0.02 0.00 -1.49 1.49 -1.18 0.00 0.00 179.01 177.81 2ppb h GLU 693 N 0.00 0.43 -0.39 1.92 4.81 -0.10 -3.25 114.58 118.01 2ppb h GLU 693 Ca 0.27 -0.74 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2ppb h GLU 693 Cb 1.10 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 2ppb h GLU 693 CO -0.00 1.34 0.03 0.28 -0.73 0.00 0.00 179.01 179.93 2ppb h VAL 694 N 0.12 1.20 -0.02 0.32 2.07 0.12 -2.34 116.25 117.72 2ppb h VAL 694 Ca -0.25 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2ppb h VAL 694 Cb 2.11 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2ppb h VAL 694 CO 0.23 0.28 0.00 0.00 0.02 0.00 0.00 177.57 178.10 2ppb n ILE 695 N -4.28 0.01 -0.03 4.57 3.06 -0.51 -4.68 119.36 117.50 2ppb n ILE 695 Ca 0.02 -0.26 -0.01 0.00 -2.50 0.00 0.00 62.75 60.00 2ppb n ILE 695 Cb 0.24 0.51 -0.01 0.00 0.54 0.00 0.00 39.64 40.92 2ppb n ILE 695 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 2ppb n HIS 696 N 0.20 -0.03 -0.25 9.51 -0.00 -0.88 -2.25 115.22 121.52 2ppb n HIS 696 Ca 0.19 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 2ppb n HIS 696 Cb 0.36 -0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 2ppb n HIS 696 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ppb n GLY 697 N -1.02 1.22 3.84 1.57 0.00 -1.26 -5.04 105.19 104.50 2ppb n GLY 697 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2ppb n GLY 697 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppb s LYS 698 N -0.66 3.52 0.08 1.61 2.20 -0.95 -5.08 119.74 120.46 2ppb s LYS 698 Ca 0.00 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 2ppb s LYS 698 Cb 0.00 -2.07 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 2ppb s LYS 698 CO 0.00 -0.63 -0.10 0.14 -0.36 0.00 0.00 175.35 174.40 2ppb s VAL 699 N -2.80 0.89 0.42 4.02 -7.23 -1.26 -4.28 120.40 110.16 2ppb s VAL 699 Ca 0.59 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 2ppb s VAL 699 Cb -0.12 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 2ppb s VAL 699 CO 0.43 -0.45 0.12 0.68 -0.31 0.00 0.00 175.10 175.57 2ppb s VAL 700 N -1.97 2.14 0.18 1.32 -7.23 -0.82 -4.34 120.40 109.68 2ppb s VAL 700 Ca 0.01 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 58.44 2ppb s VAL 700 Cb -0.06 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2ppb s VAL 700 CO 0.01 0.00 0.05 -0.76 -0.31 0.00 0.00 175.10 174.08 2ppb s LEU 701 N -3.85 3.46 -0.03 1.32 1.02 -0.19 -1.41 118.68 119.00 2ppb s LEU 701 Ca 0.37 -0.34 0.05 0.00 0.02 0.00 0.00 54.13 54.23 2ppb s LEU 701 Cb 0.06 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.18 2ppb s LEU 701 CO 0.20 0.07 -0.17 -0.76 0.02 0.00 0.00 176.35 175.71 2ppb s LEU 702 N -3.11 1.94 -0.05 1.79 1.02 0.75 -1.65 118.68 119.38 2ppb s LEU 702 Ca 0.29 -0.33 0.05 0.00 0.02 0.00 0.00 54.13 54.16 2ppb s LEU 702 Cb -0.09 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.17 2ppb s LEU 702 CO 0.20 0.17 -0.20 0.21 0.02 0.00 0.00 176.35 176.75 2ppb s ASN 703 N -0.09 3.49 0.33 2.29 3.04 -0.40 -2.31 114.94 121.30 2ppb s ASN 703 Ca -0.01 -0.37 0.07 0.00 0.04 0.00 0.00 52.86 52.59 2ppb s ASN 703 Cb -0.10 -0.74 -0.01 0.00 -1.54 0.00 0.00 41.25 38.86 2ppb s ASN 703 CO 0.01 0.30 0.46 -0.60 -3.04 0.00 0.00 177.10 174.23 2ppb s ARG 704 N -0.48 3.12 0.00 0.43 6.06 -1.16 -0.75 118.95 126.16 2ppb s ARG 704 Ca 0.06 -1.01 0.00 0.00 -2.50 0.00 0.00 55.73 52.28 2ppb s ARG 704 Cb -0.12 -2.81 0.00 0.00 0.06 0.00 0.00 34.95 32.08 2ppb s ARG 704 CO 0.01 0.08 0.00 0.00 -2.50 0.00 0.00 175.30 172.89 2ppb n ALA 705 N -1.62 0.00 -2.66 6.12 0.00 -1.26 -4.03 120.51 117.05 2ppb n ALA 705 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 2ppb n ALA 705 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 2ppb n ALA 705 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ppb s PRO 706 N 0.00 4.27 -1.02 0.00 0.02 -1.26 -4.91 135.00 132.10 2ppb s PRO 706 Ca 0.00 0.99 -0.23 0.00 0.02 0.00 0.00 61.00 61.78 2ppb s PRO 706 Cb 0.00 -3.59 0.02 0.00 0.02 0.00 0.00 34.50 30.95 2ppb s PRO 706 CO 0.00 -0.36 1.65 0.99 -0.33 0.00 0.00 177.00 178.95 2ppb s THR 707 N 2.27 3.78 -0.12 0.99 2.01 -1.26 -4.78 115.64 118.53 2ppb s THR 707 Ca 0.37 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.43 2ppb s THR 707 Cb -0.16 -4.73 -0.26 0.00 0.01 0.00 0.00 72.50 67.35 2ppb s THR 707 CO 0.11 -1.60 0.52 -0.07 -0.69 0.00 0.00 174.62 172.89 2ppb h LEU 708 N 14.54 0.29 -9.75 4.42 3.38 -1.93 -3.49 115.31 122.78 2ppb h LEU 708 Ca 0.19 -0.82 -0.62 0.00 0.09 0.00 0.00 57.88 56.73 2ppb h LEU 708 Cb 0.99 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 2ppb h LEU 708 CO 1.36 1.55 -0.54 -1.38 0.09 0.00 0.00 178.44 179.52 2ppb s HIS 709 N -2.44 1.96 0.43 1.13 -3.43 -1.26 -4.61 115.29 107.07 2ppb s HIS 709 Ca -0.21 -0.99 0.15 0.00 -0.80 0.00 0.00 55.06 53.20 2ppb s HIS 709 Cb 0.04 -1.49 1.03 0.00 -1.43 0.00 0.00 32.58 30.73 2ppb s HIS 709 CO 0.73 0.11 1.94 0.07 -2.00 0.00 0.00 174.74 175.59 2ppb h ARG 710 N 1.60 0.42 0.00 -0.38 0.11 -1.94 0.81 114.38 114.99 2ppb h ARG 710 Ca -0.41 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2ppb h ARG 710 Cb 1.29 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.27 2ppb h ARG 710 CO 0.70 0.28 0.00 1.28 0.10 0.00 0.00 179.97 182.33 2ppb n LEU 711 N -4.48 0.00 0.20 0.08 4.32 -1.26 -2.77 117.00 113.09 2ppb n LEU 711 Ca 0.13 0.16 0.13 0.00 -0.02 0.00 0.00 56.01 56.41 2ppb n LEU 711 Cb 0.48 -0.16 0.68 0.00 -1.62 0.00 0.00 43.42 42.79 2ppb n LEU 711 CO 0.33 -0.06 0.90 1.23 -1.22 0.00 0.00 177.39 178.57 2ppb h GLY 712 N 3.07 0.00 -6.03 -0.72 0.00 0.37 -3.38 103.07 96.38 2ppb h GLY 712 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2ppb h GLY 712 CO 0.00 0.00 -0.75 -0.42 0.00 0.00 0.00 176.54 175.37 2ppb s ILE 713 N -3.65 0.29 0.04 2.60 1.01 -1.12 -2.99 121.20 117.39 2ppb s ILE 713 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 2ppb s ILE 713 Cb 0.07 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 2ppb s ILE 713 CO 0.23 0.14 0.02 -1.10 0.00 0.00 0.00 174.94 174.23 2ppb s GLN 714 N 0.61 0.55 -0.15 2.79 -0.21 -0.98 -4.93 119.66 117.36 2ppb s GLN 714 Ca -0.07 -0.93 -0.05 0.00 0.02 0.00 0.00 55.36 54.33 2ppb s GLN 714 Cb -0.10 0.20 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 2ppb s GLN 714 CO -0.01 -0.12 0.04 0.00 -2.12 0.00 0.00 175.29 173.09 2ppb s ALA 715 N -2.99 3.37 0.20 6.09 0.00 -0.80 -0.18 121.76 127.46 2ppb s ALA 715 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2ppb s ALA 715 Cb 0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2ppb s ALA 715 CO -0.06 0.34 0.03 -0.06 0.00 0.00 0.00 175.76 176.00 2ppb s PHE 716 N -0.10 1.35 -0.49 0.00 0.40 -0.50 -0.40 117.98 118.24 2ppb s PHE 716 Ca 0.06 -1.05 -0.24 0.00 -0.60 0.00 0.00 56.93 55.10 2ppb s PHE 716 Cb -0.12 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.66 2ppb s PHE 716 CO 0.01 -0.22 0.86 -1.14 0.70 0.00 0.00 175.22 175.43 2ppb s GLN 717 N -3.94 3.39 0.05 0.44 0.74 -0.13 -1.95 119.66 118.26 2ppb s GLN 717 Ca 0.28 -0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 2ppb s GLN 717 Cb 0.06 -3.98 -0.08 0.00 1.10 0.00 0.00 33.01 30.11 2ppb s GLN 717 CO 0.07 -1.27 1.68 -2.14 -0.55 0.00 0.00 175.29 173.08 2ppb s PRO 718 N 3.58 4.19 -0.64 1.67 0.02 -1.26 -2.26 135.00 140.31 2ppb s PRO 718 Ca 0.31 2.34 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 2ppb s PRO 718 Cb -0.12 -3.69 0.16 0.00 0.02 0.00 0.00 34.50 30.87 2ppb s PRO 718 CO 0.22 -0.77 0.45 0.08 -0.33 0.00 0.00 177.00 176.65 2ppb s VAL 719 N 2.96 3.65 -0.03 3.83 1.01 -0.60 -4.96 120.40 126.26 2ppb s VAL 719 Ca 0.75 -3.10 -0.40 0.00 0.00 0.00 0.00 61.98 59.22 2ppb s VAL 719 Cb -0.39 -3.38 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 2ppb s VAL 719 CO 0.33 -0.89 1.13 0.18 0.00 0.00 0.00 175.10 175.84 2ppb n LEU 720 N 3.32 0.18 -4.21 3.92 4.32 -1.26 -3.65 117.00 119.61 2ppb n LEU 720 Ca 0.09 1.16 -0.12 0.00 -0.02 0.00 0.00 56.01 57.12 2ppb n LEU 720 Cb 0.37 -0.93 -0.10 0.00 -1.62 0.00 0.00 43.42 41.14 2ppb n LEU 720 CO 0.34 -1.78 -0.30 0.68 -1.22 0.00 0.00 177.39 175.11 2ppb s VAL 721 N 0.27 0.39 0.51 4.08 -7.23 -0.69 -4.87 120.40 112.86 2ppb s VAL 721 Ca 0.92 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 2ppb s VAL 721 Cb -1.27 -2.20 -0.08 0.00 0.56 0.00 0.00 36.38 33.39 2ppb s VAL 721 CO 0.58 -0.36 0.97 -1.61 -0.31 0.00 0.00 175.10 174.38 2ppb s GLU 722 N -4.00 3.92 0.26 4.82 0.41 -1.26 -0.52 118.70 122.32 2ppb s GLU 722 Ca 0.27 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 2ppb s GLU 722 Cb 0.07 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 2ppb s GLU 722 CO 0.05 -0.27 0.00 0.41 -0.49 0.00 0.00 175.26 174.97 2ppb n GLY 723 N -1.61 -1.78 0.13 -1.39 0.00 -1.26 -4.72 105.19 94.56 2ppb n GLY 723 Ca 0.06 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.97 2ppb n GLY 723 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ppb n GLN 724 N 0.00 0.71 -2.07 1.61 7.27 -1.26 -4.70 117.38 118.93 2ppb n GLN 724 Ca 0.00 0.26 -0.33 0.00 0.07 0.00 0.00 57.00 56.99 2ppb n GLN 724 Cb 0.00 -1.65 0.01 0.00 2.41 0.00 0.00 30.24 31.01 2ppb n GLN 724 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ppb s SER 725 N -6.90 5.64 -0.26 1.69 0.01 -1.26 -4.55 113.70 108.06 2ppb s SER 725 Ca -0.27 1.97 -0.08 0.00 1.31 0.00 0.00 55.95 58.88 2ppb s SER 725 Cb 0.08 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2ppb s SER 725 CO 0.70 -1.27 0.08 -0.63 0.41 0.00 0.00 173.24 172.53 2ppb s ILE 726 N -2.20 4.29 -0.39 1.44 1.01 -0.26 -4.24 121.20 120.85 2ppb s ILE 726 Ca 0.67 -0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 2ppb s ILE 726 Cb -0.19 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2ppb s ILE 726 CO 0.34 0.27 1.01 -1.10 0.00 0.00 0.00 174.94 175.46 2ppb s GLN 727 N 1.60 3.86 -0.03 2.79 -0.21 0.26 -0.58 119.66 127.34 2ppb s GLN 727 Ca 0.06 0.68 -0.02 0.00 0.02 0.00 0.00 55.36 56.11 2ppb s GLN 727 Cb -0.16 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 2ppb s GLN 727 CO 0.04 -1.05 0.08 -1.17 -2.12 0.00 0.00 175.29 171.07 2ppb s LEU 728 N 3.76 3.93 0.45 2.90 2.96 -0.75 0.17 118.68 132.10 2ppb s LEU 728 Ca 0.42 0.20 -0.23 0.00 -0.22 0.00 0.00 54.13 54.30 2ppb s LEU 728 Cb -0.11 -2.19 -0.08 0.00 0.50 0.00 0.00 46.19 44.32 2ppb s LEU 728 CO 0.21 0.31 1.14 -2.28 -1.32 0.00 0.00 176.35 174.41 2ppb s HIS 729 N -1.13 2.96 0.20 5.38 5.65 -1.26 -1.99 115.29 125.10 2ppb s HIS 729 Ca 0.20 1.56 -0.07 0.00 0.25 0.00 0.00 55.06 57.01 2ppb s HIS 729 Cb -0.12 -3.32 0.13 0.00 -1.18 0.00 0.00 32.58 28.09 2ppb s HIS 729 CO 0.11 -1.30 1.63 -1.00 -0.65 0.00 0.00 174.74 173.53 2ppb h PRO 730 N 2.13 0.91 -0.82 2.88 0.13 -1.90 -3.25 132.00 132.07 2ppb h PRO 730 Ca -0.49 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.27 2ppb h PRO 730 Cb 1.24 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2ppb h PRO 730 CO 0.61 0.99 0.40 -0.07 -0.23 0.00 0.00 178.00 179.70 2ppb h LEU 731 N 0.81 1.07 0.00 1.56 3.38 -1.92 -1.15 115.31 119.06 2ppb h LEU 731 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ppb h LEU 731 Cb 0.67 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ppb h LEU 731 CO 0.05 0.90 0.00 1.33 0.09 0.00 0.00 178.44 180.80 2ppb n VAL 732 N -4.31 0.00 0.32 1.22 0.24 -1.23 -3.15 118.33 111.42 2ppb n VAL 732 Ca 0.08 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.43 2ppb n VAL 732 Cb 0.14 -0.57 0.23 0.00 -1.47 0.00 0.00 33.84 32.16 2ppb n VAL 732 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ppb h GLU 734 N 0.00 0.20 0.81 0.00 4.39 -1.74 -3.22 114.58 115.02 2ppb h GLU 734 Ca 0.00 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2ppb h GLU 734 Cb 0.17 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2ppb h GLU 734 CO 0.00 1.02 -0.39 0.00 -1.16 0.00 0.00 179.01 178.48 2ppb h ALA 735 N 0.37 -1.13 -2.16 3.43 0.00 -1.56 -3.38 119.26 114.84 2ppb h ALA 735 Ca -0.36 -0.24 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 2ppb h ALA 735 Cb 2.03 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 20.18 2ppb h ALA 735 CO 0.10 -1.05 0.68 -0.06 0.00 0.00 0.00 179.25 178.93 2ppb s PHE 736 N -5.12 3.36 -1.10 0.00 0.40 -1.08 -4.74 117.98 109.70 2ppb s PHE 736 Ca -0.16 1.40 -0.26 0.00 -0.60 0.00 0.00 56.93 57.31 2ppb s PHE 736 Cb 0.02 -3.20 -0.21 0.00 0.51 0.00 0.00 43.02 40.13 2ppb s PHE 736 CO 0.48 -0.42 2.07 -1.71 0.70 0.00 0.00 175.22 176.34 2ppb n ASN 737 N 6.05 1.70 -3.70 1.36 5.15 -1.26 -4.64 115.26 119.92 2ppb n ASN 737 Ca 0.10 -2.54 -0.18 0.00 -0.60 0.00 0.00 54.58 51.36 2ppb n ASN 737 Cb 0.47 -1.72 -0.17 0.00 -0.53 0.00 0.00 39.78 37.82 2ppb n ASN 737 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ppb s ALA 738 N 16.00 0.14 0.07 5.20 0.00 -1.22 -4.92 121.76 137.03 2ppb s ALA 738 Ca 0.79 0.27 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2ppb s ALA 738 Cb -0.04 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2ppb s ALA 738 CO 0.18 -0.38 0.09 -0.40 0.00 0.00 0.00 175.76 175.25 2ppb n ASP 739 N 4.96 0.45 -1.07 0.00 3.85 -1.26 -4.82 116.55 118.66 2ppb n ASP 739 Ca -0.11 -1.19 -0.03 0.00 -0.71 0.00 0.00 54.79 52.75 2ppb n ASP 739 Cb 0.50 -0.04 0.20 0.00 -1.35 0.00 0.00 41.12 40.43 2ppb n ASP 739 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2ppb n PHE 740 N -1.05 0.89 1.79 2.11 0.99 -1.26 -4.29 117.46 116.64 2ppb n PHE 740 Ca 0.01 -1.62 0.06 0.00 -0.00 0.00 0.00 57.45 55.91 2ppb n PHE 740 Cb 0.07 -0.45 0.38 0.00 -1.00 0.00 0.00 39.48 38.48 2ppb n PHE 740 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2ppb n ASP 741 N -1.12 0.00 0.00 4.37 5.68 -1.26 -4.69 116.55 119.53 2ppb n ASP 741 Ca 0.31 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 2ppb n ASP 741 Cb 0.96 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 2ppb n ASP 741 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ppb n GLY 742 N 0.57 -0.28 3.67 6.12 0.00 -1.26 -5.11 105.19 108.89 2ppb n GLY 742 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ppb n GLY 742 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ppb n ASP 743 N 0.00 2.25 -4.46 1.61 10.43 -1.26 -4.78 116.55 120.33 2ppb n ASP 743 Ca 0.00 1.15 -0.32 0.00 2.57 0.00 0.00 54.79 58.19 2ppb n ASP 743 Cb 0.00 -1.44 -0.13 0.00 1.84 0.00 0.00 41.12 41.39 2ppb n ASP 743 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2ppb s GLN 744 N -1.92 2.35 -0.01 -1.24 -0.21 -1.26 -2.49 119.66 114.87 2ppb s GLN 744 Ca 0.58 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.24 2ppb s GLN 744 Cb -0.57 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.11 2ppb s GLN 744 CO 0.60 0.59 -0.25 -1.64 -2.12 0.00 0.00 175.29 172.48 2ppb s MET 745 N -0.97 1.97 0.69 2.91 -1.94 -1.14 -4.27 119.30 116.54 2ppb s MET 745 Ca 0.13 -0.92 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 2ppb s MET 745 Cb -0.11 -1.94 0.06 0.00 2.01 0.00 0.00 34.83 34.85 2ppb s MET 745 CO 0.02 0.53 0.99 0.00 -0.01 0.00 0.00 175.02 176.55 2ppb s ALA 746 N -0.62 3.22 -0.05 3.03 0.00 0.07 -3.13 121.76 124.29 2ppb s ALA 746 Ca 0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2ppb s ALA 746 Cb -0.10 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2ppb s ALA 746 CO -0.00 -1.23 0.11 0.54 0.00 0.00 0.00 175.76 175.18 2ppb s VAL 747 N -3.20 -0.02 0.26 0.00 0.11 0.27 -1.28 120.40 116.54 2ppb s VAL 747 Ca 0.60 0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.79 2ppb s VAL 747 Cb -0.11 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2ppb s VAL 747 CO 0.44 0.03 -0.11 -1.00 -3.33 0.00 0.00 175.10 171.13 2ppb s HIS 748 N 0.46 1.92 -0.09 1.54 3.76 -0.66 -0.91 115.29 121.32 2ppb s HIS 748 Ca -0.03 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.28 2ppb s HIS 748 Cb -0.05 -1.00 0.02 0.00 1.11 0.00 0.00 32.58 32.66 2ppb s HIS 748 CO -0.02 0.37 -0.10 0.08 -0.85 0.00 0.00 174.74 174.22 2ppb s VAL 749 N -2.92 1.10 -0.27 -0.90 1.01 -1.15 -1.02 120.40 116.24 2ppb s VAL 749 Ca 0.27 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2ppb s VAL 749 Cb 0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2ppb s VAL 749 CO 0.11 0.36 1.36 -2.84 0.00 0.00 0.00 175.10 174.09 2ppb s PRO 750 N 1.14 3.92 -0.13 2.72 0.02 -1.26 -4.94 135.00 136.47 2ppb s PRO 750 Ca -0.06 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.07 2ppb s PRO 750 Cb -0.14 -3.90 -0.26 0.00 0.02 0.00 0.00 34.50 30.22 2ppb s PRO 750 CO -0.02 -1.12 0.70 -0.07 -0.33 0.00 0.00 177.00 176.16 2ppb h LEU 751 N 10.93 0.12-10.18 -5.54 3.38 -1.97 -3.40 115.31 108.64 2ppb h LEU 751 Ca -0.28 -0.91 -0.47 0.00 0.09 0.00 0.00 57.88 56.31 2ppb h LEU 751 Cb 1.11 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.84 2ppb h LEU 751 CO 1.02 1.20 0.37 -0.94 0.09 0.00 0.00 178.44 180.18 2ppb s SER 752 N -6.52 6.51 0.62 -0.43 1.04 -1.26 -4.90 113.70 108.76 2ppb s SER 752 Ca -0.19 1.62 0.36 0.00 0.48 0.00 0.00 55.95 58.22 2ppb s SER 752 Cb -0.00 -2.52 2.04 0.00 0.10 0.00 0.00 66.02 65.64 2ppb s SER 752 CO 0.71 -0.67 2.27 -1.28 0.98 0.00 0.00 173.24 175.26 2ppb h SER 753 N 0.92 0.00 0.12 7.02 0.87 -1.99 -0.59 113.55 119.91 2ppb h SER 753 Ca -0.47 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 2ppb h SER 753 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2ppb h SER 753 CO 0.61 0.00 -0.06 0.15 -0.53 0.00 0.00 176.83 177.00 2ppb h PHE 754 N 0.00 -0.15 -0.71 2.24 3.57 -1.97 -1.48 116.94 118.44 2ppb h PHE 754 Ca 0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.63 2ppb h PHE 754 Cb 0.08 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 2ppb h PHE 754 CO 0.00 0.31 0.27 0.00 -2.23 0.00 0.00 178.31 176.66 2ppb h ALA 755 N -0.33 0.96 -0.32 2.41 0.00 -1.72 0.43 119.26 120.69 2ppb h ALA 755 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ppb h ALA 755 Cb 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ppb h ALA 755 CO 0.03 -0.20 0.17 0.37 0.00 0.00 0.00 179.25 179.62 2ppb h GLN 756 N 0.44 0.46 0.03 0.00 5.75 -1.21 -0.68 115.11 119.89 2ppb h GLN 756 Ca 0.38 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.83 2ppb h GLN 756 Cb 0.54 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2ppb h GLN 756 CO -0.37 0.40 -0.31 0.00 -2.65 0.00 0.00 178.83 175.89 2ppb h ALA 757 N 1.04 -0.78 -0.77 3.38 0.00 0.14 0.20 119.26 122.47 2ppb h ALA 757 Ca 0.11 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2ppb h ALA 757 Cb 0.08 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2ppb h ALA 757 CO -0.02 -0.87 0.42 1.05 0.00 0.00 0.00 179.25 179.83 2ppb h GLU 758 N -0.41 0.68 -0.25 0.00 4.11 -1.12 -0.60 114.58 116.99 2ppb h GLU 758 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2ppb h GLU 758 Cb 0.43 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2ppb h GLU 758 CO -0.19 0.45 0.17 0.00 0.07 0.00 0.00 179.01 179.51 2ppb h ALA 759 N 1.44 1.82 -0.02 1.06 0.00 -0.47 0.11 119.26 123.19 2ppb h ALA 759 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ppb h ALA 759 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ppb h ALA 759 CO -0.25 0.17 -0.27 2.89 0.00 0.00 0.00 179.25 181.79 2ppb n ARG 760 N -4.50 1.58 -0.08 0.00 1.85 0.00 -1.68 116.66 113.83 2ppb n ARG 760 Ca 0.01 -1.10 -0.11 0.00 -1.00 0.00 0.00 57.85 55.64 2ppb n ARG 760 Cb 0.07 -1.35 -0.08 0.00 -1.05 0.00 0.00 32.46 30.06 2ppb n ARG 760 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2ppb n ILE 761 N 0.26 0.95 -0.00 8.89 5.41 -0.31 -4.60 119.36 129.95 2ppb n ILE 761 Ca 0.09 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.46 2ppb n ILE 761 Cb 0.41 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.27 2ppb n ILE 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ppb n GLN 762 N -2.97 6.12 0.00 0.38 10.64 0.33 -4.74 117.38 127.15 2ppb n GLN 762 Ca -0.29 -0.04 0.02 0.00 -1.83 0.00 0.00 57.00 54.87 2ppb n GLN 762 Cb 0.82 -0.52 -0.00 0.00 -0.86 0.00 0.00 30.24 29.68 2ppb n GLN 762 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 2ppb n MET 763 N -0.88 2.82 -1.97 2.61 1.56 -0.94 -4.87 117.12 115.45 2ppb n MET 763 Ca 0.00 -0.37 -0.37 0.00 -0.27 0.00 0.00 57.70 56.69 2ppb n MET 763 Cb 0.00 -0.89 0.03 0.00 2.15 0.00 0.00 33.22 34.51 2ppb n MET 763 CO 0.00 0.00 0.00 -0.48 -0.73 0.00 0.00 175.97 174.76 2ppb s LEU 764 N -1.37 3.76 0.00 -0.89 0.05 -0.68 -1.91 118.68 117.64 2ppb s LEU 764 Ca 0.04 2.50 0.00 0.00 0.05 0.00 0.00 54.13 56.71 2ppb s LEU 764 Cb 0.04 -4.46 0.00 0.00 -2.05 0.00 0.00 46.19 39.72 2ppb s LEU 764 CO 0.13 -1.52 0.92 -1.54 -0.55 0.00 0.00 176.35 173.79 2ppb n SER 765 N -1.29 0.00 0.11 1.48 3.41 0.46 -2.37 113.62 115.43 2ppb n SER 765 Ca 0.12 0.92 0.03 0.00 -0.26 0.00 0.00 58.87 59.69 2ppb n SER 765 Cb 0.48 -0.42 0.18 0.00 -0.26 0.00 0.00 64.21 64.19 2ppb n SER 765 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ppb n ALA 766 N -2.32 0.46 0.03 7.33 0.00 -1.26 -0.42 120.51 124.33 2ppb n ALA 766 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.54 2ppb n ALA 766 Cb 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 2ppb n ALA 766 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ppb n HIS 767 N -1.74 0.68 -2.97 0.00 8.25 -1.00 -4.47 115.22 113.97 2ppb n HIS 767 Ca -0.00 0.22 -0.40 0.00 -0.26 0.00 0.00 57.72 57.27 2ppb n HIS 767 Cb 0.38 -0.93 -0.00 0.00 1.12 0.00 0.00 29.99 30.56 2ppb n HIS 767 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ppb n ASN 768 N -2.69 6.21 0.04 0.41 2.85 0.44 -4.80 115.26 117.73 2ppb n ASN 768 Ca -0.08 -3.50 -0.11 0.00 -0.11 0.00 0.00 54.58 50.78 2ppb n ASN 768 Cb 0.74 -1.14 -0.13 0.00 1.24 0.00 0.00 39.78 40.49 2ppb n ASN 768 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2ppb h LEU 769 N 4.88 0.14-10.03 1.20 3.38 -1.78 -3.46 115.31 109.64 2ppb h LEU 769 Ca 0.27 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 2ppb h LEU 769 Cb 0.55 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2ppb h LEU 769 CO 1.22 1.15 -0.23 -0.76 0.09 0.00 0.00 178.44 179.90 2ppb s LEU 770 N -6.67 4.17 0.17 1.67 1.43 -1.26 -1.17 118.68 117.02 2ppb s LEU 770 Ca -0.04 0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 2ppb s LEU 770 Cb 0.08 -3.40 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 2ppb s LEU 770 CO 0.83 -0.07 0.63 -0.94 0.23 0.00 0.00 176.35 177.03 2ppb s SER 771 N -2.84 6.96 0.56 2.29 1.04 -1.03 -4.84 113.70 115.84 2ppb s SER 771 Ca 0.42 1.25 0.34 0.00 0.48 0.00 0.00 55.95 58.44 2ppb s SER 771 Cb -0.11 -2.35 1.60 0.00 0.10 0.00 0.00 66.02 65.26 2ppb s SER 771 CO 0.27 0.10 2.09 -0.65 0.98 0.00 0.00 173.24 176.03 2ppb h PRO 772 N 3.64 0.00 0.40 4.02 0.11 -1.92 -3.15 132.00 135.10 2ppb h PRO 772 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2ppb h PRO 772 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ppb h PRO 772 CO 0.65 0.06 -0.19 0.00 -0.21 0.00 0.00 178.00 178.31 2ppb h ALA 773 N 1.94 -0.54 -3.15 -0.75 0.00 -1.90 -3.45 119.26 111.42 2ppb h ALA 773 Ca -0.00 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.21 2ppb h ALA 773 Cb 0.36 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 18.17 2ppb h ALA 773 CO 0.01 -0.53 -0.80 -1.54 0.00 0.00 0.00 179.25 176.39 2ppb s SER 774 N -4.96 2.74 0.00 0.00 1.04 -1.19 -1.25 113.70 110.08 2ppb s SER 774 Ca -0.10 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2ppb s SER 774 Cb 0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2ppb s SER 774 CO 0.32 0.01 0.52 0.61 0.98 0.00 0.00 173.24 175.68 2ppb n GLY 775 N 0.49 -0.41 3.82 7.32 0.00 -1.26 -3.51 105.19 111.65 2ppb n GLY 775 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2ppb n GLY 775 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppb s GLU 776 N -1.90 4.21 0.65 1.61 0.41 -1.26 -4.87 118.70 117.55 2ppb s GLU 776 Ca 0.00 0.89 -0.16 0.00 -0.41 0.00 0.00 54.97 55.29 2ppb s GLU 776 Cb 0.00 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.69 2ppb s GLU 776 CO 0.00 0.26 1.15 -2.14 -0.49 0.00 0.00 175.26 174.04 2ppb s PRO 777 N -2.43 2.76 0.00 0.39 0.02 -1.26 -2.47 135.00 132.01 2ppb s PRO 777 Ca 0.49 1.56 0.01 0.00 0.02 0.00 0.00 61.00 63.08 2ppb s PRO 777 Cb -0.14 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 2ppb s PRO 777 CO 0.19 -1.31 0.21 1.28 -0.33 0.00 0.00 177.00 177.04 2ppb n LEU 778 N -2.20 0.41 -0.86 -5.54 4.32 -0.32 -4.29 117.00 108.52 2ppb n LEU 778 Ca 0.12 -0.68 0.04 0.00 -0.02 0.00 0.00 56.01 55.47 2ppb n LEU 778 Cb 0.51 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.48 2ppb n LEU 778 CO 0.46 0.10 0.59 0.00 -1.22 0.00 0.00 177.39 177.32 2ppb n ALA 779 N -0.63 2.76 -1.68 -1.18 0.00 -1.19 -4.18 120.51 114.40 2ppb n ALA 779 Ca 0.00 -0.72 -0.44 0.00 0.00 0.00 0.00 53.44 52.27 2ppb n ALA 779 Cb 0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 2ppb n ALA 779 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2ppb n LYS 780 N 0.41 2.08 -1.73 0.00 2.85 -1.26 -4.88 118.16 115.63 2ppb n LYS 780 Ca 0.12 0.74 -0.42 0.00 -1.05 0.00 0.00 58.31 57.70 2ppb n LYS 780 Cb 0.47 -2.40 -0.02 0.00 -0.65 0.00 0.00 35.03 32.43 2ppb n LYS 780 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2ppb n PRO 781 N 1.93 2.62 0.00 -1.58 -0.02 -1.26 -4.93 135.00 131.75 2ppb n PRO 781 Ca 0.11 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2ppb n PRO 781 Cb 0.32 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2ppb n PRO 781 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ppb n SER 782 N 2.62 0.00 -0.24 2.55 7.64 -1.26 -4.60 113.62 120.33 2ppb n SER 782 Ca 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 2ppb n SER 782 Cb 0.35 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.61 2ppb n SER 782 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2ppb h ARG 783 N 0.00 -0.05 0.01 1.43 2.47 -1.85 -2.32 114.38 114.07 2ppb h ARG 783 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ppb h ARG 783 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2ppb h ARG 783 CO 0.00 -0.03 -0.00 0.22 0.56 0.00 0.00 179.97 180.71 2ppb h ASP 784 N -0.05 -0.01 -0.27 7.04 -0.00 -1.93 -3.26 116.42 117.93 2ppb h ASP 784 Ca 0.31 -0.84 0.01 0.00 -0.00 0.00 0.00 57.03 56.52 2ppb h ASP 784 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.85 2ppb h ASP 784 CO -0.73 0.86 0.15 0.40 -0.00 0.00 0.00 179.24 179.92 2ppb h ILE 785 N -0.91 1.01 -0.81 2.25 5.03 -1.78 -2.66 117.51 119.65 2ppb h ILE 785 Ca -0.00 -0.11 0.03 0.00 -0.12 0.00 0.00 64.86 64.66 2ppb h ILE 785 Cb 0.85 0.68 -0.05 0.00 -3.03 0.00 0.00 36.82 35.27 2ppb h ILE 785 CO 0.00 0.06 0.52 0.40 -0.68 0.00 0.00 178.15 178.45 2ppb h ILE 786 N 0.31 1.14 -0.25 -0.67 5.03 -1.58 -0.10 117.51 121.38 2ppb h ILE 786 Ca 0.11 -0.35 0.02 0.00 -0.12 0.00 0.00 64.86 64.52 2ppb h ILE 786 Cb 0.02 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 33.82 2ppb h ILE 786 CO -0.06 0.19 0.17 0.25 -0.68 0.00 0.00 178.15 178.01 2ppb h LEU 787 N 1.02 0.21 0.02 1.44 5.85 -1.53 0.22 115.31 122.53 2ppb h LEU 787 Ca 0.32 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 2ppb h LEU 787 Cb -0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2ppb h LEU 787 CO -0.11 0.14 -0.21 1.23 -0.34 0.00 0.00 178.44 179.16 2ppb h GLY 788 N 0.24 0.13 2.00 3.75 0.00 -0.76 -3.18 103.07 105.25 2ppb h GLY 788 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2ppb h GLY 788 CO -0.02 0.23 0.00 1.04 0.00 0.00 0.00 176.54 177.79 2ppb n LEU 789 N -4.52 0.56 -0.01 3.11 4.77 -0.31 -3.30 117.00 117.30 2ppb n LEU 789 Ca -0.10 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 2ppb n LEU 789 Cb 0.52 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ppb n LEU 789 CO 0.38 -0.41 0.03 0.22 -1.33 0.00 0.00 177.39 176.27 2ppb h TYR 790 N 0.00 -0.04 -0.92 -1.77 5.03 -1.02 -3.33 116.97 114.93 2ppb h TYR 790 Ca 0.00 -0.00 0.29 0.00 2.58 0.00 0.00 58.73 61.59 2ppb h TYR 790 Cb 0.42 0.01 -0.17 0.00 1.55 0.00 0.00 36.73 38.54 2ppb h TYR 790 CO 0.00 -0.02 0.13 0.98 -1.32 0.00 0.00 178.16 177.93 2ppb n TYR 791 N -3.55 0.70 -0.19 -3.82 9.36 -1.20 -0.39 117.16 118.07 2ppb n TYR 791 Ca -0.01 1.10 -0.06 0.00 3.32 0.00 0.00 57.90 62.26 2ppb n TYR 791 Cb 0.02 -1.26 0.10 0.00 -0.63 0.00 0.00 39.34 37.56 2ppb n TYR 791 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2ppb h ILE 792 N 0.00 1.25 -0.32 2.97 -0.00 -1.71 -3.21 117.51 116.49 2ppb h ILE 792 Ca 0.61 -0.98 0.00 0.00 -0.00 0.00 0.00 64.86 64.49 2ppb h ILE 792 Cb 1.37 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 38.88 2ppb h ILE 792 CO -0.83 0.36 0.00 0.35 -0.00 0.00 0.00 178.15 178.04 2ppb n THR 793 N -4.22 0.42 -3.47 2.19 -2.24 0.47 -3.94 114.28 103.49 2ppb n THR 793 Ca 0.04 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.86 2ppb n THR 793 Cb 0.28 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 2ppb n THR 793 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2ppb s GLN 794 N -1.58 3.96 0.22 -0.78 2.00 -1.12 -4.45 119.66 117.91 2ppb s GLN 794 Ca 0.35 0.45 -0.10 0.00 -2.00 0.00 0.00 55.36 54.06 2ppb s GLN 794 Cb 0.20 -3.23 -0.07 0.00 0.80 0.00 0.00 33.01 30.71 2ppb s GLN 794 CO 0.28 0.67 0.55 0.08 -0.50 0.00 0.00 175.29 176.38 2ppb s VAL 795 N -1.04 4.92 0.06 1.34 1.01 -1.26 -4.31 120.40 121.12 2ppb s VAL 795 Ca 0.24 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.79 2ppb s VAL 795 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ppb s VAL 795 CO 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 175.10 175.16 2ppb s ARG 796 N -2.73 2.48 -0.03 2.72 1.70 -0.77 -5.03 118.95 117.29 2ppb s ARG 796 Ca 0.47 -0.82 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 2ppb s ARG 796 Cb -0.12 -2.49 -0.01 0.00 -0.57 0.00 0.00 34.95 31.77 2ppb s ARG 796 CO 0.21 0.56 -0.18 0.15 -1.08 0.00 0.00 175.30 174.96 2ppb s LYS 797 N -1.97 1.73 0.14 3.89 3.01 -1.26 -4.75 119.74 120.53 2ppb s LYS 797 Ca 0.22 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.53 2ppb s LYS 797 Cb -0.11 -1.56 0.00 0.00 -1.01 0.00 0.00 37.83 35.15 2ppb s LYS 797 CO 0.14 0.31 0.00 -1.91 0.51 0.00 0.00 175.35 174.39 2ppb n GLU 798 N 2.95 0.00 -3.75 1.68 2.13 -0.63 -5.04 120.64 117.98 2ppb n GLU 798 Ca -0.17 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.53 2ppb n GLU 798 Cb 0.53 -0.08 -0.12 0.00 0.27 0.00 0.00 31.44 32.03 2ppb n GLU 798 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2ppb s LYS 799 N -1.57 0.26 -0.30 5.31 2.20 -1.26 -5.07 119.74 119.30 2ppb s LYS 799 Ca 0.00 0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 56.08 2ppb s LYS 799 Cb 0.00 -0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.41 2ppb s LYS 799 CO 0.00 -0.11 0.11 0.21 -0.36 0.00 0.00 175.35 175.20 2ppb s LYS 800 N 0.84 0.54 -0.06 4.03 2.20 -1.26 -4.02 119.74 122.01 2ppb s LYS 800 Ca -0.06 -0.90 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 2ppb s LYS 800 Cb -0.07 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.49 2ppb s LYS 800 CO -0.05 -1.00 -0.04 0.41 -0.36 0.00 0.00 175.35 174.30 2ppb n GLY 801 N 4.97 -0.10 3.69 5.54 0.00 -1.26 -5.03 105.19 113.01 2ppb n GLY 801 Ca -0.03 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2ppb n GLY 801 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 802 N -2.12 3.32 0.00 4.61 0.00 -1.26 -5.05 121.76 121.25 2ppb s ALA 802 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2ppb s ALA 802 Cb 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2ppb s ALA 802 CO 0.14 0.69 0.00 0.41 0.00 0.00 0.00 175.76 177.00 2ppb n GLY 803 N 0.87 0.00 0.00 0.00 0.00 -1.26 -4.94 105.19 99.86 2ppb n GLY 803 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ppb n GLY 803 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ppb n LEU 804 N 0.00 1.91 -2.55 0.99 -0.00 -1.26 -4.91 117.00 111.19 2ppb n LEU 804 Ca 0.00 -1.93 -0.28 0.00 -0.00 0.00 0.00 56.01 53.80 2ppb n LEU 804 Cb 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.36 2ppb n LEU 804 CO 0.00 0.48 1.60 -0.62 -0.00 0.00 0.00 177.39 178.85 2ppb n GLU 805 N -0.49 2.49 0.12 1.47 1.02 -1.26 -3.91 120.64 120.08 2ppb n GLU 805 Ca 0.00 -2.45 0.11 0.00 -0.02 0.00 0.00 57.16 54.81 2ppb n GLU 805 Cb 0.27 -2.17 0.48 0.00 -0.02 0.00 0.00 31.44 30.00 2ppb n GLU 805 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ppb n PHE 806 N 0.82 0.74 -0.46 -0.32 7.35 -1.26 -3.33 117.46 121.00 2ppb n PHE 806 Ca 0.50 0.29 0.41 0.00 -0.76 0.00 0.00 57.45 57.89 2ppb n PHE 806 Cb 0.52 -0.97 0.76 0.00 0.35 0.00 0.00 39.48 40.14 2ppb n PHE 806 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ppb h ALA 807 N 2.28 3.30 0.00 3.13 0.00 -1.92 -3.33 119.26 122.71 2ppb h ALA 807 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ppb h ALA 807 Cb 0.34 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ppb h ALA 807 CO 0.00 -1.73 -0.35 0.25 0.00 0.00 0.00 179.25 177.42 2ppb n THR 808 N -4.16 1.24 -2.46 0.00 -2.24 -1.21 -5.06 114.28 100.38 2ppb n THR 808 Ca 0.32 0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 62.04 2ppb n THR 808 Cb 1.49 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2ppb n THR 808 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2ppb s PRO 809 N -2.23 4.12 0.32 -0.78 0.02 -1.25 -4.93 135.00 130.26 2ppb s PRO 809 Ca -0.08 1.61 0.23 0.00 0.02 0.00 0.00 61.00 62.79 2ppb s PRO 809 Cb 0.01 -2.58 0.27 0.00 0.02 0.00 0.00 34.50 32.22 2ppb s PRO 809 CO 0.11 -0.21 1.41 1.05 -0.33 0.00 0.00 177.00 179.04 2ppb h GLU 810 N 2.53 0.00 0.00 5.54 4.11 -1.97 -2.72 114.58 122.07 2ppb h GLU 810 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2ppb h GLU 810 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ppb h GLU 810 CO 0.62 0.00 -0.27 -1.91 0.07 0.00 0.00 179.01 177.52 2ppb n GLU 811 N -2.81 0.17 0.09 1.06 4.07 -1.26 -2.73 120.64 119.23 2ppb n GLU 811 Ca 0.03 0.09 -0.02 0.00 -0.06 0.00 0.00 57.16 57.20 2ppb n GLU 811 Cb 0.52 -1.65 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 2ppb n GLU 811 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ppb h ALA 812 N 2.70 0.54 0.00 4.31 0.00 -1.84 -2.65 119.26 122.32 2ppb h ALA 812 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2ppb h ALA 812 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ppb h ALA 812 CO 0.00 0.95 -0.14 1.37 0.00 0.00 0.00 179.25 181.43 2ppb h LEU 813 N 0.00 0.11 0.41 0.00 8.10 -1.38 -3.01 115.31 119.54 2ppb h LEU 813 Ca -0.03 -0.81 -0.02 0.00 0.11 0.00 0.00 57.88 57.13 2ppb h LEU 813 Cb 1.59 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 41.77 2ppb h LEU 813 CO 0.09 0.91 -0.19 0.00 -4.11 0.00 0.00 178.44 175.14 2ppb h ALA 814 N 0.20 -0.55 -0.44 0.17 0.00 -1.65 -2.56 119.26 114.44 2ppb h ALA 814 Ca -0.02 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2ppb h ALA 814 Cb 0.94 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2ppb h ALA 814 CO 0.03 -0.66 0.26 0.00 0.00 0.00 0.00 179.25 178.88 2ppb h ALA 815 N -0.39 0.56 -0.00 0.00 0.00 -1.64 -0.42 119.26 117.37 2ppb h ALA 815 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ppb h ALA 815 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ppb h ALA 815 CO 0.09 -0.05 -0.02 0.72 0.00 0.00 0.00 179.25 179.98 2ppb n HIS 816 N -4.84 0.00 0.02 0.00 8.25 -1.14 -0.47 115.22 117.04 2ppb n HIS 816 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2ppb n HIS 816 Cb 0.06 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 30.69 2ppb n HIS 816 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2ppb h GLU 817 N 0.04 0.10 0.15 -0.41 4.81 -0.84 -2.73 114.58 115.70 2ppb h GLU 817 Ca 0.00 -0.16 -0.32 0.00 -0.13 0.00 0.00 59.36 58.75 2ppb h GLU 817 Cb 0.37 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ppb h GLU 817 CO 0.00 0.83 -1.54 0.00 -0.73 0.00 0.00 179.01 177.56 2ppb h ARG 818 N 0.03 0.32 -0.02 1.92 3.08 -1.03 -2.75 114.38 115.93 2ppb h ARG 818 Ca -0.24 -0.55 -0.07 0.00 0.07 0.00 0.00 59.98 59.19 2ppb h ARG 818 Cb 1.97 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 32.22 2ppb h ARG 818 CO 0.11 1.21 -0.32 0.78 -1.07 0.00 0.00 179.97 180.68 2ppb h GLY 819 N 1.27 0.03 0.39 0.04 0.00 -0.91 0.77 103.07 104.66 2ppb h GLY 819 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ppb h GLY 819 CO 0.18 0.02 -0.03 -2.09 0.00 0.00 0.00 176.54 174.62 2ppb h GLU 820 N 0.03 -0.09 -0.99 4.80 4.22 -1.55 -1.31 114.58 119.69 2ppb h GLU 820 Ca 0.00 0.01 0.25 0.00 0.08 0.00 0.00 59.36 59.69 2ppb h GLU 820 Cb 0.58 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 2ppb h GLU 820 CO 0.04 0.44 0.65 0.28 -2.18 0.00 0.00 179.01 178.25 2ppb h VAL 821 N -0.71 0.58 0.00 0.32 2.07 -1.23 -3.37 116.25 113.91 2ppb h VAL 821 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2ppb h VAL 821 Cb 0.58 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2ppb h VAL 821 CO 0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.67 2ppb n ALA 822 N -2.53 0.00 0.22 1.67 0.00 0.24 -5.00 120.51 115.11 2ppb n ALA 822 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2ppb n ALA 822 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 2ppb n ALA 822 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppb n LEU 823 N 0.00 0.22 0.11 0.00 4.77 -1.20 -4.78 117.00 116.11 2ppb n LEU 823 Ca 0.00 -0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 2ppb n LEU 823 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2ppb n LEU 823 CO 0.00 0.06 0.55 -1.13 -1.33 0.00 0.00 177.39 175.54 2ppb h ASN 824 N 0.00 -0.25 -3.46 -1.43 -0.00 -1.69 -3.44 115.58 105.31 2ppb h ASN 824 Ca 0.00 -0.24 -0.64 0.00 -0.00 0.00 0.00 56.30 55.42 2ppb h ASN 824 Cb 0.16 0.07 -0.20 0.00 -0.00 0.00 0.00 38.32 38.34 2ppb h ASN 824 CO 0.00 0.14 -0.61 0.00 -0.00 0.00 0.00 177.43 176.96 2ppb s ALA 825 N -4.62 3.21 0.99 1.57 0.00 -0.54 -4.68 121.76 117.69 2ppb s ALA 825 Ca -0.14 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.73 2ppb s ALA 825 Cb 0.02 -1.92 0.18 0.00 0.00 0.00 0.00 23.12 21.40 2ppb s ALA 825 CO 0.56 -0.13 1.15 -2.14 0.00 0.00 0.00 175.76 175.20 2ppb s PRO 826 N 0.95 0.49 0.44 0.00 0.02 -1.26 -3.90 135.00 131.74 2ppb s PRO 826 Ca 0.03 0.14 0.29 0.00 0.02 0.00 0.00 61.00 61.48 2ppb s PRO 826 Cb -0.14 -1.78 1.03 0.00 0.02 0.00 0.00 34.50 33.63 2ppb s PRO 826 CO 0.02 -2.61 1.83 0.82 -0.33 0.00 0.00 177.00 176.74 2ppb h ILE 827 N -1.79 0.00 -2.63 2.83 2.04 -1.94 -3.37 117.51 112.65 2ppb h ILE 827 Ca -0.49 -0.56 -0.60 0.00 1.00 0.00 0.00 64.86 64.21 2ppb h ILE 827 Cb 1.31 1.50 -0.39 0.00 -0.74 0.00 0.00 36.82 38.50 2ppb h ILE 827 CO 0.52 0.00 -0.84 -1.59 0.00 0.00 0.00 178.15 176.24 2ppb s LYS 828 N -3.45 1.28 0.02 2.37 0.00 -1.26 -1.76 119.74 116.94 2ppb s LYS 828 Ca 0.04 -2.31 0.05 0.00 0.00 0.00 0.00 55.97 53.74 2ppb s LYS 828 Cb 0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 37.83 35.90 2ppb s LYS 828 CO 0.55 -1.32 -0.10 0.08 0.00 0.00 0.00 175.35 174.55 2ppb s VAL 829 N -0.16 3.37 -1.01 1.79 1.01 -1.26 -1.60 120.40 122.54 2ppb s VAL 829 Ca 0.28 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 2ppb s VAL 829 Cb -0.04 -2.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.73 2ppb s VAL 829 CO -0.15 0.36 2.11 0.00 0.00 0.00 0.00 175.10 177.43 2ppb s ALA 830 N -0.99 1.02 -0.42 5.51 0.00 -1.26 -4.33 121.76 121.29 2ppb s ALA 830 Ca 0.17 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2ppb s ALA 830 Cb -0.11 -4.64 0.13 0.00 0.00 0.00 0.00 23.12 18.50 2ppb s ALA 830 CO 0.07 -5.96 0.22 0.20 0.00 0.00 0.00 175.76 170.29 2ppb s GLY 831 N 8.52 1.57 0.00 0.00 0.00 -1.26 -4.69 107.32 111.46 2ppb s GLY 831 Ca 0.79 -2.47 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2ppb s GLY 831 CO 0.12 1.58 0.00 -2.13 0.00 0.00 0.00 173.10 172.67 2ppb n ARG 832 N 3.69 0.00 0.03 2.90 0.63 -1.25 -2.03 116.66 120.63 2ppb n ARG 832 Ca 0.08 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.96 2ppb n ARG 832 Cb 0.35 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.23 2ppb n ARG 832 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2ppb h GLU 833 N 0.00 -0.20 -2.79 -0.14 3.07 -1.96 -3.42 114.58 109.13 2ppb h GLU 833 Ca 0.00 0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.61 2ppb h GLU 833 Cb 0.00 0.05 -0.34 0.00 -0.84 0.00 0.00 28.75 27.61 2ppb h GLU 833 CO 0.00 -0.14 -0.58 -0.08 -1.40 0.00 0.00 179.01 176.81 2ppb s THR 834 N -3.76 -0.36 0.67 1.13 -1.32 -0.86 -5.09 115.64 106.05 2ppb s THR 834 Ca -0.04 0.17 -0.16 0.00 -1.21 0.00 0.00 61.69 60.45 2ppb s THR 834 Cb 0.02 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 2ppb s THR 834 CO 0.17 0.02 1.18 -0.55 -2.21 0.00 0.00 174.62 173.23 2ppb s SER 835 N 2.37 4.75 0.56 8.08 0.15 -1.19 -4.77 113.70 123.65 2ppb s SER 835 Ca 0.04 2.28 0.16 0.00 0.70 0.00 0.00 55.95 59.13 2ppb s SER 835 Cb -0.13 -2.58 0.89 0.00 -1.71 0.00 0.00 66.02 62.49 2ppb s SER 835 CO -0.09 -1.88 1.46 1.62 1.20 0.00 0.00 173.24 175.55 2ppb h VAL 836 N 0.19 0.00 0.00 4.45 3.04 -1.79 0.16 116.25 122.30 2ppb h VAL 836 Ca -0.48 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 2ppb h VAL 836 Cb 1.28 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2ppb h VAL 836 CO 0.53 0.00 -0.11 1.23 -1.01 0.00 0.00 177.57 178.20 2ppb h GLY 837 N 0.00 0.00 0.58 3.17 0.00 -1.56 -0.40 103.07 104.86 2ppb h GLY 837 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2ppb h GLY 837 CO 0.00 0.00 -1.94 0.54 0.00 0.00 0.00 176.54 175.14 2ppb n ARG 838 N -3.85 0.65 -0.13 4.80 1.74 0.56 -3.71 116.66 116.71 2ppb n ARG 838 Ca -0.02 0.16 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 2ppb n ARG 838 Cb 0.21 -1.68 -0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2ppb n ARG 838 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2ppb h LEU 839 N 0.00 0.52 -0.40 0.55 5.85 -1.38 -3.16 115.31 117.30 2ppb h LEU 839 Ca -0.36 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2ppb h LEU 839 Cb 2.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 2ppb h LEU 839 CO 0.05 0.49 0.03 0.11 -0.34 0.00 0.00 178.44 178.79 2ppb h LYS 840 N 0.52 0.68 -6.29 1.25 1.57 -1.25 -3.44 116.57 109.60 2ppb h LYS 840 Ca 0.14 -0.20 -0.67 0.00 -1.87 0.00 0.00 60.65 58.05 2ppb h LYS 840 Cb 0.10 -0.07 -0.30 0.00 0.08 0.00 0.00 32.23 32.04 2ppb h LYS 840 CO -0.02 0.75 -0.88 0.71 -0.57 0.00 0.00 179.45 179.44 2ppb s TYR 841 N -5.09 2.21 -0.06 -1.35 4.12 -1.19 -5.10 117.35 110.88 2ppb s TYR 841 Ca -0.13 -0.48 -0.01 0.00 0.02 0.00 0.00 57.07 56.47 2ppb s TYR 841 Cb 0.10 -1.43 0.03 0.00 -1.52 0.00 0.00 41.96 39.14 2ppb s TYR 841 CO 0.78 -0.08 0.00 0.08 0.02 0.00 0.00 175.55 176.36 2ppb s VAL 842 N -0.46 0.32 -0.20 0.71 1.01 -1.26 -3.77 120.40 116.75 2ppb s VAL 842 Ca 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2ppb s VAL 842 Cb -0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2ppb s VAL 842 CO 0.00 0.24 -0.09 -0.36 0.00 0.00 0.00 175.10 174.89 2ppb s PHE 843 N 1.83 2.90 0.00 5.22 2.99 -0.96 -5.04 117.98 124.91 2ppb s PHE 843 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 56.93 55.93 2ppb s PHE 843 Cb -0.12 -2.02 0.00 0.00 0.00 0.00 0.00 43.02 40.87 2ppb s PHE 843 CO -0.04 -0.54 0.00 0.00 -0.00 0.00 0.00 175.22 174.64 2ppb n ALA 844 N 4.53 0.00 -1.04 5.36 0.00 -1.26 -1.66 120.51 126.45 2ppb n ALA 844 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 2ppb n ALA 844 Cb 0.51 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.12 2ppb n ALA 844 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ppb s ASN 845 N -1.92 2.96 0.06 0.00 2.47 -1.26 -3.20 114.94 114.05 2ppb s ASN 845 Ca 0.00 1.56 -0.27 0.00 0.42 0.00 0.00 52.86 54.58 2ppb s ASN 845 Cb 0.00 -2.23 -0.17 0.00 -1.45 0.00 0.00 41.25 37.40 2ppb s ASN 845 CO 0.00 -2.97 1.58 -0.65 -3.72 0.00 0.00 177.10 171.34 2ppb h PRO 846 N -1.78 -0.37 -0.88 0.43 0.11 -1.89 -3.12 132.00 124.50 2ppb h PRO 846 Ca -0.51 0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.85 2ppb h PRO 846 Cb 1.29 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.36 2ppb h PRO 846 CO 0.52 -0.19 0.33 -0.44 -0.21 0.00 0.00 178.00 178.02 2ppb h ASP 847 N -0.48 0.21 -1.20 -2.05 3.32 -1.97 -0.16 116.42 114.09 2ppb h ASP 847 Ca -0.04 0.17 0.36 0.00 0.02 0.00 0.00 57.03 57.54 2ppb h ASP 847 Cb 0.36 0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.98 2ppb h ASP 847 CO 0.07 -0.05 0.79 -0.33 -1.72 0.00 0.00 179.24 177.99 2ppb h GLU 848 N 0.33 0.20 -0.11 3.56 5.08 -1.92 -0.18 114.58 121.54 2ppb h GLU 848 Ca 0.55 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 2ppb h GLU 848 Cb 1.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ppb h GLU 848 CO -0.57 0.13 0.01 0.00 -1.00 0.00 0.00 179.01 177.59 2ppb h ALA 849 N 1.58 0.15 0.00 3.43 0.00 -1.13 -3.12 119.26 120.18 2ppb h ALA 849 Ca 0.71 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 2ppb h ALA 849 Cb 2.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 2ppb h ALA 849 CO -0.32 -0.18 -0.67 1.25 0.00 0.00 0.00 179.25 179.32 2ppb h LEU 850 N -0.05 0.00 -1.08 0.00 5.85 -1.16 -3.15 115.31 115.71 2ppb h LEU 850 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2ppb h LEU 850 Cb 0.32 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2ppb h LEU 850 CO 0.00 0.67 0.37 -0.07 -0.34 0.00 0.00 178.44 179.07 2ppb h LEU 851 N 0.00 0.91 -1.54 2.25 3.38 -1.42 0.04 115.31 118.93 2ppb h LEU 851 Ca -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2ppb h LEU 851 Cb 1.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2ppb h LEU 851 CO 0.09 0.75 -0.21 0.00 0.09 0.00 0.00 178.44 179.16 2ppb h ALA 852 N 1.39 1.62 0.13 1.53 0.00 -1.50 -2.49 119.26 119.94 2ppb h ALA 852 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ppb h ALA 852 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ppb h ALA 852 CO -0.04 0.29 -0.06 0.28 0.00 0.00 0.00 179.25 179.72 2ppb h VAL 853 N 0.02 1.04 -0.43 0.00 2.07 -1.01 0.16 116.25 118.11 2ppb h VAL 853 Ca 0.00 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.71 2ppb h VAL 853 Cb 0.39 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2ppb h VAL 853 CO 0.03 0.20 0.29 0.00 0.02 0.00 0.00 177.57 178.10 2ppb h ALA 854 N 0.19 1.85 -0.00 1.67 0.00 -1.24 -0.90 119.26 120.82 2ppb h ALA 854 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ppb h ALA 854 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ppb h ALA 854 CO 0.03 0.10 -0.04 0.72 0.00 0.00 0.00 179.25 180.06 2ppb n HIS 855 N -4.48 0.00 -1.02 0.00 8.25 -0.94 -4.91 115.22 112.12 2ppb n HIS 855 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2ppb n HIS 855 Cb 0.17 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2ppb n HIS 855 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ppb n GLY 856 N 1.18 0.65 0.14 -1.41 0.00 -0.34 -4.96 105.19 100.44 2ppb n GLY 856 Ca 0.18 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 2ppb n GLY 856 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ppb n ILE 857 N -2.91 1.74 -4.19 -0.61 2.08 0.55 -4.93 119.36 111.09 2ppb n ILE 857 Ca 0.00 -0.60 -0.18 0.00 0.56 0.00 0.00 62.75 62.53 2ppb n ILE 857 Cb 0.14 -1.75 -0.15 0.00 -0.75 0.00 0.00 39.64 37.13 2ppb n ILE 857 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2ppb s VAL 858 N -2.54 0.51 0.77 1.39 1.01 -1.19 -4.99 120.40 115.36 2ppb s VAL 858 Ca -0.24 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2ppb s VAL 858 Cb 0.07 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 36.02 2ppb s VAL 858 CO 0.74 0.18 1.08 -1.81 0.00 0.00 0.00 175.10 175.30 2ppb s ASP 859 N 0.39 4.64 0.35 3.32 1.01 -1.26 -4.14 116.67 120.99 2ppb s ASP 859 Ca -0.05 1.59 0.15 0.00 0.71 0.00 0.00 52.55 54.94 2ppb s ASP 859 Cb -0.09 -2.35 0.65 0.00 1.01 0.00 0.00 42.92 42.14 2ppb s ASP 859 CO -0.00 -1.91 1.76 -0.07 0.21 0.00 0.00 175.17 175.15 2ppb h LEU 860 N -1.04 0.00 -1.68 1.23 4.07 -1.94 -2.92 115.31 113.02 2ppb h LEU 860 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2ppb h LEU 860 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2ppb h LEU 860 CO 0.55 0.43 0.00 0.00 -1.08 0.00 0.00 178.44 178.34 2ppb n GLN 861 N -3.83 2.19 -3.47 1.13 3.00 -1.26 -0.67 117.38 114.47 2ppb n GLN 861 Ca -0.01 -1.52 -0.31 0.00 -0.01 0.00 0.00 57.00 55.14 2ppb n GLN 861 Cb 0.48 -1.44 -0.05 0.00 0.00 0.00 0.00 30.24 29.23 2ppb n GLN 861 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2ppb s ASP 862 N -0.88 6.58 -0.58 1.08 3.68 -1.10 -1.85 116.67 123.59 2ppb s ASP 862 Ca 0.28 0.82 -0.26 0.00 2.13 0.00 0.00 52.55 55.51 2ppb s ASP 862 Cb 0.16 -2.18 0.03 0.00 -1.45 0.00 0.00 42.92 39.48 2ppb s ASP 862 CO 0.17 -0.05 1.10 0.68 0.13 0.00 0.00 175.17 177.19 2ppb s VAL 863 N -1.80 4.15 0.40 1.11 -7.23 -1.26 -3.70 120.40 112.06 2ppb s VAL 863 Ca 0.45 0.62 0.04 0.00 -1.81 0.00 0.00 61.98 61.28 2ppb s VAL 863 Cb -0.11 -4.66 -0.05 0.00 0.56 0.00 0.00 36.38 32.11 2ppb s VAL 863 CO 0.23 -1.28 0.05 -0.69 -0.31 0.00 0.00 175.10 173.10 2ppb s VAL 864 N 4.59 1.26 -0.10 1.32 1.01 -1.26 -3.72 120.40 123.49 2ppb s VAL 864 Ca 0.37 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.32 2ppb s VAL 864 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2ppb s VAL 864 CO 0.22 0.00 0.04 0.42 0.00 0.00 0.00 175.10 175.78 2ppb s THR 865 N -3.06 4.61 -0.00 3.92 -4.23 -1.25 -2.34 115.64 113.29 2ppb s THR 865 Ca 0.28 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 2ppb s THR 865 Cb 0.07 -2.97 -0.00 0.00 1.34 0.00 0.00 72.50 70.93 2ppb s THR 865 CO 0.14 0.59 0.07 -0.69 -0.54 0.00 0.00 174.62 174.19 2ppb s VAL 866 N -0.78 0.07 -0.37 2.29 1.01 0.37 -2.26 120.40 120.74 2ppb s VAL 866 Ca 0.12 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2ppb s VAL 866 Cb -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.97 2ppb s VAL 866 CO 0.02 -0.32 0.47 -0.60 0.00 0.00 0.00 175.10 174.68 2ppb s ARG 867 N -1.02 3.49 0.55 2.72 3.52 -0.66 -0.29 118.95 127.26 2ppb s ARG 867 Ca -0.11 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 2ppb s ARG 867 Cb -0.07 -3.85 0.07 0.00 -1.56 0.00 0.00 34.95 29.55 2ppb s ARG 867 CO 0.00 -0.68 0.71 -0.47 -0.81 0.00 0.00 175.30 174.06 2ppb s TYR 868 N 2.29 1.61 0.16 5.12 6.14 0.38 -4.30 117.35 128.75 2ppb s TYR 868 Ca 0.16 -0.70 0.08 0.00 0.64 0.00 0.00 57.07 57.25 2ppb s TYR 868 Cb -0.16 -2.19 0.56 0.00 0.42 0.00 0.00 41.96 40.59 2ppb s TYR 868 CO 0.13 -0.97 0.70 -1.33 0.64 0.00 0.00 175.55 174.72 2ppb n MET 869 N -2.13 -0.03 0.00 4.97 2.81 -1.26 -2.47 117.12 119.02 2ppb n MET 869 Ca 0.12 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 2ppb n MET 869 Cb 0.62 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 2ppb n MET 869 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ppb n GLY 870 N -1.13 -0.50 3.05 3.03 0.00 -1.26 -5.12 105.19 103.27 2ppb n GLY 870 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2ppb n GLY 870 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb s LYS 871 N 0.00 0.54 -0.93 1.61 1.02 -1.03 -5.07 119.74 115.88 2ppb s LYS 871 Ca 0.00 -0.68 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 2ppb s LYS 871 Cb 0.00 -0.37 0.10 0.00 -0.52 0.00 0.00 37.83 37.05 2ppb s LYS 871 CO 0.00 0.07 1.20 1.03 -0.92 0.00 0.00 175.35 176.74 2ppb s ARG 872 N -1.34 3.56 -0.13 1.68 0.52 -1.26 -0.47 118.95 121.51 2ppb s ARG 872 Ca -0.07 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.51 2ppb s ARG 872 Cb -0.09 -4.98 -0.05 0.00 0.52 0.00 0.00 34.95 30.36 2ppb s ARG 872 CO 0.00 -1.90 0.26 -0.51 0.02 0.00 0.00 175.30 173.18 2ppb s LEU 873 N 3.43 4.31 -1.16 2.53 1.43 0.60 -4.90 118.68 124.92 2ppb s LEU 873 Ca 0.36 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2ppb s LEU 873 Cb -0.04 -2.32 0.23 0.00 0.03 0.00 0.00 46.19 44.09 2ppb s LEU 873 CO -0.08 0.21 1.28 -0.62 0.23 0.00 0.00 176.35 177.37 2ppb n GLU 874 N 2.97 3.49 -4.14 1.70 1.02 -1.26 -0.47 120.64 123.94 2ppb n GLU 874 Ca -0.14 -4.18 -0.16 0.00 -0.02 0.00 0.00 57.16 52.65 2ppb n GLU 874 Cb 0.53 -2.77 -0.15 0.00 -0.02 0.00 0.00 31.44 29.03 2ppb n GLU 874 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2ppb s THR 875 N -0.07 0.41 0.84 2.62 2.01 -0.99 -4.90 115.64 115.56 2ppb s THR 875 Ca 0.36 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 2ppb s THR 875 Cb -0.06 -0.36 0.06 0.00 0.01 0.00 0.00 72.50 72.14 2ppb s THR 875 CO -0.04 0.13 0.86 -1.54 -0.69 0.00 0.00 174.62 173.34 2ppb n SER 876 N 3.16 -0.30 0.03 3.53 3.41 -1.26 -4.29 113.62 117.89 2ppb n SER 876 Ca -0.15 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 2ppb n SER 876 Cb 0.57 -1.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.11 2ppb n SER 876 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ppb h PRO 877 N -1.10 -0.35 -0.31 4.33 0.11 -1.61 -2.24 132.00 130.83 2ppb h PRO 877 Ca -0.45 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.75 2ppb h PRO 877 Cb 1.30 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.41 2ppb h PRO 877 CO 0.42 -0.23 -0.34 0.78 -0.21 0.00 0.00 178.00 178.41 2ppb h GLY 878 N -0.37 -0.36 0.59 -0.55 0.00 -1.02 0.26 103.07 101.62 2ppb h GLY 878 Ca 0.08 0.43 0.18 0.00 0.00 0.00 0.00 47.33 48.02 2ppb h GLY 878 CO -0.29 -0.21 0.52 3.21 0.00 0.00 0.00 176.54 179.78 2ppb h ARG 879 N -0.31 0.26 0.01 4.80 2.47 -1.66 0.49 114.38 120.44 2ppb h ARG 879 Ca 0.14 -0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.66 2ppb h ARG 879 Cb 0.55 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 2ppb h ARG 879 CO -0.49 0.17 -0.88 0.97 0.56 0.00 0.00 179.97 180.31 2ppb h ILE 880 N 0.27 1.57 -0.23 2.04 2.10 -0.25 -2.71 117.51 120.30 2ppb h ILE 880 Ca 0.38 -2.83 -0.18 0.00 1.08 0.00 0.00 64.86 63.30 2ppb h ILE 880 Cb 1.07 2.56 0.00 0.00 -1.09 0.00 0.00 36.82 39.37 2ppb h ILE 880 CO -0.09 0.82 -0.55 0.25 -1.08 0.00 0.00 178.15 177.49 2ppb h LEU 881 N 0.04 0.89 -0.64 2.19 5.85 0.29 -2.85 115.31 121.08 2ppb h LEU 881 Ca -0.03 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2ppb h LEU 881 Cb 1.53 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2ppb h LEU 881 CO 0.12 1.29 0.41 0.15 -0.34 0.00 0.00 178.44 180.08 2ppb h PHE 882 N 0.52 0.82 -0.80 1.25 3.57 -0.38 -1.78 116.94 120.15 2ppb h PHE 882 Ca -0.00 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.65 2ppb h PHE 882 Cb 1.17 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.54 2ppb h PHE 882 CO 0.08 0.53 0.37 0.00 -2.23 0.00 0.00 178.31 177.06 2ppb h ALA 883 N 1.22 1.17 0.66 2.41 0.00 -1.39 -2.37 119.26 120.97 2ppb h ALA 883 Ca 0.23 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2ppb h ALA 883 Cb -0.08 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ppb h ALA 883 CO -0.05 -0.15 -0.32 -0.09 0.00 0.00 0.00 179.25 178.64 2ppb h ARG 884 N 0.53 -0.86 -0.92 0.00 2.43 -1.13 -0.53 114.38 113.91 2ppb h ARG 884 Ca 0.44 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.87 2ppb h ARG 884 Cb 0.64 0.20 -0.17 0.00 -0.42 0.00 0.00 29.97 30.21 2ppb h ARG 884 CO -0.38 -0.54 -0.17 0.82 -1.51 0.00 0.00 179.97 178.20 2ppb h ILE 885 N -1.07 0.09 0.22 1.20 2.04 -1.00 1.01 117.51 120.00 2ppb h ILE 885 Ca -0.09 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2ppb h ILE 885 Cb 0.72 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2ppb h ILE 885 CO 0.15 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.78 2ppb h VAL 886 N 0.01 0.86 -0.58 1.67 2.07 -1.40 -0.05 116.25 118.83 2ppb h VAL 886 Ca 0.47 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.66 2ppb h VAL 886 Cb 0.78 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2ppb h VAL 886 CO -0.92 0.11 0.46 0.00 0.02 0.00 0.00 177.57 177.24 2ppb h ALA 887 N 0.17 2.46 0.00 1.67 0.00 0.98 -2.05 119.26 122.49 2ppb h ALA 887 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ppb h ALA 887 Cb 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ppb h ALA 887 CO 0.05 -0.76 -0.06 1.49 0.00 0.00 0.00 179.25 179.96 2ppb h GLU 888 N 0.00 0.00 -0.78 0.00 4.81 0.12 -3.29 114.58 115.44 2ppb h GLU 888 Ca 0.27 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.65 2ppb h GLU 888 Cb 1.20 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 2ppb h GLU 888 CO -0.00 0.71 -0.26 0.00 -0.73 0.00 0.00 179.01 178.73 2ppb h ALA 889 N -0.31 0.35 -3.57 2.92 0.00 -0.34 -3.30 119.26 115.01 2ppb h ALA 889 Ca -0.02 0.28 -0.68 0.00 0.00 0.00 0.00 54.91 54.49 2ppb h ALA 889 Cb 0.74 0.71 -0.34 0.00 0.00 0.00 0.00 17.79 18.90 2ppb h ALA 889 CO -0.01 -0.50 -0.72 0.08 0.00 0.00 0.00 179.25 178.11 2ppb s VAL 890 N -6.15 2.83 0.59 0.00 1.01 -0.86 -4.73 120.40 113.09 2ppb s VAL 890 Ca -0.14 -1.47 0.29 0.00 0.00 0.00 0.00 61.98 60.65 2ppb s VAL 890 Cb 0.21 -2.65 0.39 0.00 0.00 0.00 0.00 36.38 34.33 2ppb s VAL 890 CO 0.74 -0.12 1.83 -0.08 0.00 0.00 0.00 175.10 177.47 2ppb h GLU 891 N 7.95 0.00 -5.06 2.72 4.57 -1.65 -3.32 114.58 119.79 2ppb h GLU 891 Ca -0.20 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.42 2ppb h GLU 891 Cb 1.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 2ppb h GLU 891 CO 0.52 0.00 1.98 -0.25 -1.18 0.00 0.00 179.01 180.08 2ppb n ASP 892 N -3.69 3.46 -0.23 1.04 9.92 -1.26 -4.76 116.55 121.04 2ppb n ASP 892 Ca 0.11 -2.76 0.01 0.00 -0.53 0.00 0.00 54.79 51.61 2ppb n ASP 892 Cb 0.78 -1.56 0.08 0.00 -0.64 0.00 0.00 41.12 39.79 2ppb n ASP 892 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ppb h GLU 893 N 8.16 0.02 -0.75 -1.24 4.81 -1.76 0.14 114.58 123.96 2ppb h GLU 893 Ca 0.38 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2ppb h GLU 893 Cb 0.80 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 2ppb h GLU 893 CO 1.58 0.01 0.42 0.87 -0.73 0.00 0.00 179.01 181.16 2ppb h LYS 894 N 0.02 1.03 0.00 1.92 1.79 -1.94 0.16 116.57 119.55 2ppb h LYS 894 Ca 0.33 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2ppb h LYS 894 Cb 0.51 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2ppb h LYS 894 CO -0.67 0.76 0.00 0.28 -1.08 0.00 0.00 179.45 178.74 2ppb n VAL 895 N -4.47 0.96 0.06 0.50 0.31 -0.15 -2.05 118.33 113.50 2ppb n VAL 895 Ca 0.07 0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 64.61 2ppb n VAL 895 Cb 0.09 -1.30 -0.14 0.00 -0.91 0.00 0.00 33.84 31.57 2ppb n VAL 895 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ppb h ALA 896 N 2.21 0.30 0.00 3.52 0.00 0.11 -3.31 119.26 122.09 2ppb h ALA 896 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 54.91 53.74 2ppb h ALA 896 Cb 0.24 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ppb h ALA 896 CO 0.00 1.16 -0.54 0.11 0.00 0.00 0.00 179.25 179.98 2ppb h TRP 897 N 0.06 0.00 -0.61 0.00 5.08 -0.93 -3.13 115.95 116.43 2ppb h TRP 897 Ca -0.23 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.70 2ppb h TRP 897 Cb 2.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 28.14 2ppb h TRP 897 CO 0.06 0.24 0.25 0.93 -1.28 0.00 0.00 178.44 178.64 2ppb h GLU 898 N 0.00 0.88 -0.33 0.12 5.08 -1.52 -3.00 114.58 115.80 2ppb h GLU 898 Ca -0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ppb h GLU 898 Cb 1.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2ppb h GLU 898 CO 0.03 0.71 0.00 1.47 -1.00 0.00 0.00 179.01 180.22 2ppb n LEU 899 N -4.33 3.09 -4.41 1.33 -0.00 -1.24 -4.97 117.00 106.47 2ppb n LEU 899 Ca 0.05 -1.56 -0.30 0.00 -0.00 0.00 0.00 56.01 54.20 2ppb n LEU 899 Cb 0.16 -0.21 -0.13 0.00 -0.00 0.00 0.00 43.42 43.24 2ppb n LEU 899 CO 0.39 0.69 -0.54 0.27 -0.00 0.00 0.00 177.39 178.19 2ppb s ILE 900 N -1.23 2.42 -0.33 1.47 -5.25 -1.13 -4.72 121.20 112.43 2ppb s ILE 900 Ca 0.31 -1.55 -0.02 0.00 -0.99 0.00 0.00 60.65 58.40 2ppb s ILE 900 Cb 0.18 -2.05 0.07 0.00 2.95 0.00 0.00 42.46 43.61 2ppb s ILE 900 CO 0.25 0.19 0.05 0.00 -1.79 0.00 0.00 174.94 173.64 2ppb s GLN 901 N -1.81 2.29 -0.36 0.37 -2.07 -1.26 -4.88 119.66 111.95 2ppb s GLN 901 Ca 0.14 -1.42 0.08 0.00 -1.82 0.00 0.00 55.36 52.35 2ppb s GLN 901 Cb -0.10 -3.29 0.73 0.00 -1.09 0.00 0.00 33.01 29.26 2ppb s GLN 901 CO 0.06 -0.74 1.85 1.47 -1.32 0.00 0.00 175.29 176.60 2ppb n LEU 902 N 4.61 6.32 -1.00 2.60 -0.00 -1.26 -4.22 117.00 124.05 2ppb n LEU 902 Ca -0.10 -3.32 0.12 0.00 -0.00 0.00 0.00 56.01 52.71 2ppb n LEU 902 Cb 0.43 -0.78 0.14 0.00 -0.00 0.00 0.00 43.42 43.21 2ppb n LEU 902 CO 0.28 0.87 0.64 0.47 -0.00 0.00 0.00 177.39 179.66 2ppb n ASP 903 N -0.42 3.11 -3.58 1.45 10.43 -1.26 -4.95 116.55 121.33 2ppb n ASP 903 Ca 0.47 -1.97 -0.11 0.00 2.57 0.00 0.00 54.79 55.75 2ppb n ASP 903 Cb 1.48 -0.09 -0.03 0.00 1.84 0.00 0.00 41.12 44.31 2ppb n ASP 903 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2ppb s VAL 904 N -1.74 0.03 0.42 2.53 -7.23 -1.26 -5.13 120.40 108.01 2ppb s VAL 904 Ca 0.31 -0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 59.81 2ppb s VAL 904 Cb 0.20 -1.24 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 2ppb s VAL 904 CO 0.30 -0.13 1.29 -2.84 -0.31 0.00 0.00 175.10 173.41 2ppb s PRO 905 N -3.80 3.89 -0.52 4.82 0.02 -1.26 -4.88 135.00 133.27 2ppb s PRO 905 Ca 0.04 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 2ppb s PRO 905 Cb -0.00 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.86 2ppb s PRO 905 CO -0.09 -0.54 1.23 -0.65 -0.33 0.00 0.00 177.00 176.61 2ppb s GLN 906 N -2.34 3.58 0.52 5.54 -1.52 -1.26 -4.94 119.66 119.24 2ppb s GLN 906 Ca 0.59 0.49 -0.00 0.00 -1.95 0.00 0.00 55.36 54.48 2ppb s GLN 906 Cb -0.37 -3.99 0.02 0.00 -0.22 0.00 0.00 33.01 28.45 2ppb s GLN 906 CO 0.47 -1.58 0.76 -2.00 -0.25 0.00 0.00 175.29 172.69 2ppb s GLU 907 N 4.83 2.77 0.63 2.91 2.12 -1.26 -4.19 118.70 126.51 2ppb s GLU 907 Ca 0.49 -0.54 0.39 0.00 0.36 0.00 0.00 54.97 55.67 2ppb s GLU 907 Cb -0.08 -2.47 2.10 0.00 0.26 0.00 0.00 34.13 33.93 2ppb s GLU 907 CO 0.29 -0.57 2.27 1.57 -0.54 0.00 0.00 175.26 178.28 2ppb h LYS 908 N 0.13 0.00 0.13 4.30 2.10 -1.91 -1.07 116.57 120.24 2ppb h LYS 908 Ca -0.44 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.03 2ppb h LYS 908 Cb 1.28 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.62 2ppb h LYS 908 CO 0.56 0.01 -0.81 -0.91 -2.00 0.00 0.00 179.45 176.30 2ppb h ASN 909 N 0.00 0.42 -0.76 7.07 2.35 -1.98 0.27 115.58 122.95 2ppb h ASN 909 Ca -0.00 -0.94 0.08 0.00 -0.55 0.00 0.00 56.30 54.88 2ppb h ASN 909 Cb 0.11 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.28 2ppb h ASN 909 CO 0.00 1.38 0.43 0.28 -1.65 0.00 0.00 177.43 177.87 2ppb h SER 910 N -0.42 0.62 -0.09 5.81 0.02 -1.76 0.12 113.55 117.85 2ppb h SER 910 Ca -0.15 0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 60.62 2ppb h SER 910 Cb 1.60 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.07 2ppb h SER 910 CO 0.13 0.38 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.32 2ppb h LEU 911 N 0.75 0.85 -0.64 5.07 4.07 -1.29 -1.74 115.31 122.38 2ppb h LEU 911 Ca 0.35 -0.68 0.14 0.00 0.08 0.00 0.00 57.88 57.77 2ppb h LEU 911 Cb 0.28 -0.26 -0.11 0.00 1.08 0.00 0.00 40.66 41.66 2ppb h LEU 911 CO -0.22 1.40 0.02 0.11 -1.08 0.00 0.00 178.44 178.67 2ppb h LYS 912 N 0.37 0.13 -0.42 1.13 1.57 0.28 -0.38 116.57 119.24 2ppb h LYS 912 Ca -0.08 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2ppb h LYS 912 Cb 1.45 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2ppb h LYS 912 CO 0.16 0.09 -0.10 0.22 -0.57 0.00 0.00 179.45 179.25 2ppb h ASP 913 N 0.14 0.74 -0.65 0.86 1.82 -0.99 -1.95 116.42 116.39 2ppb h ASP 913 Ca 0.34 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2ppb h ASP 913 Cb 0.56 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 2ppb h ASP 913 CO -0.54 0.87 0.32 0.25 -1.61 0.00 0.00 179.24 178.54 2ppb h LEU 914 N 0.69 0.85 0.54 2.28 6.46 -0.18 -0.58 115.31 125.36 2ppb h LEU 914 Ca 0.12 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2ppb h LEU 914 Cb 0.57 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2ppb h LEU 914 CO 0.04 0.74 -0.30 0.58 -0.62 0.00 0.00 178.44 178.88 2ppb h VAL 915 N 0.90 0.39 -0.25 1.05 2.07 -0.88 0.11 116.25 119.64 2ppb h VAL 915 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.79 2ppb h VAL 915 Cb 0.11 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 2ppb h VAL 915 CO -0.03 0.00 -0.50 0.22 0.02 0.00 0.00 177.57 177.28 2ppb h TYR 916 N -0.78 -1.47 -0.20 1.57 3.20 -1.29 0.33 116.97 118.34 2ppb h TYR 916 Ca -0.07 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2ppb h TYR 916 Cb 0.62 0.68 -0.06 0.00 1.54 0.00 0.00 36.73 39.50 2ppb h TYR 916 CO -0.07 -0.50 -0.19 0.37 -1.64 0.00 0.00 178.16 176.13 2ppb h GLN 917 N -0.47 -0.19 -0.93 1.82 5.75 -0.99 0.06 115.11 120.16 2ppb h GLN 917 Ca 0.07 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.75 2ppb h GLN 917 Cb 0.63 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.15 2ppb h GLN 917 CO -0.49 -0.13 0.59 0.00 -2.65 0.00 0.00 178.83 176.15 2ppb h ALA 918 N 0.88 1.83 0.12 3.38 0.00 -0.09 0.19 119.26 125.57 2ppb h ALA 918 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2ppb h ALA 918 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ppb h ALA 918 CO -0.32 -0.10 -0.06 0.35 0.00 0.00 0.00 179.25 179.12 2ppb h PHE 919 N 0.70 -0.15 -0.20 0.00 -0.00 0.16 -1.64 116.94 115.81 2ppb h PHE 919 Ca 0.48 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.36 2ppb h PHE 919 Cb 0.79 0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 36.79 2ppb h PHE 919 CO -0.00 -0.04 -0.20 -0.07 -0.00 0.00 0.00 178.31 178.00 2ppb h LEU 920 N -0.22 0.51 0.12 0.59 4.07 -0.51 -3.14 115.31 116.73 2ppb h LEU 920 Ca -0.02 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.46 2ppb h LEU 920 Cb 0.18 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2ppb h LEU 920 CO 0.03 0.89 -0.06 0.03 -1.08 0.00 0.00 178.44 178.25 2ppb h ARG 921 N 0.15 -0.15 0.00 1.13 3.08 -0.66 -3.41 114.38 114.52 2ppb h ARG 921 Ca 0.03 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.85 2ppb h ARG 921 Cb 0.74 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 2ppb h ARG 921 CO 0.05 0.33 -2.10 1.28 -1.07 0.00 0.00 179.97 178.45 2ppb n LEU 922 N -4.89 0.00 0.00 3.04 4.77 -0.62 -5.08 117.00 114.22 2ppb n LEU 922 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2ppb n LEU 922 Cb 0.28 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2ppb n LEU 922 CO 0.28 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2ppb n GLY 923 N 1.81 3.91 0.00 -0.72 0.00 -1.19 -4.83 105.19 104.17 2ppb n GLY 923 Ca -0.22 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2ppb n GLY 923 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ppb n MET 924 N -1.48 0.00 -0.34 1.61 1.56 -1.26 -1.85 117.12 115.35 2ppb n MET 924 Ca 0.00 0.41 0.08 0.00 -0.27 0.00 0.00 57.70 57.92 2ppb n MET 924 Cb 0.00 -1.37 0.25 0.00 2.15 0.00 0.00 33.22 34.25 2ppb n MET 924 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2ppb h GLU 925 N 0.00 0.82 -0.73 2.12 4.11 -1.95 0.12 114.58 119.07 2ppb h GLU 925 Ca 0.00 -0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.41 2ppb h GLU 925 Cb 0.00 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 2ppb h GLU 925 CO 0.00 0.54 0.48 0.87 0.07 0.00 0.00 179.01 180.97 2ppb h LYS 926 N 0.84 0.88 -0.63 1.06 1.57 -1.88 -0.03 116.57 118.38 2ppb h LYS 926 Ca 0.51 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.15 2ppb h LYS 926 Cb 0.63 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2ppb h LYS 926 CO -0.32 0.58 0.07 1.15 -0.57 0.00 0.00 179.45 180.37 2ppb h THR 927 N 0.91 1.26 -0.97 -0.16 2.02 -0.04 -2.79 112.91 113.14 2ppb h THR 927 Ca 0.28 -1.06 0.16 0.00 0.77 0.00 0.00 66.41 66.56 2ppb h THR 927 Cb 0.02 0.72 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 2ppb h THR 927 CO -0.08 0.39 0.58 0.00 0.37 0.00 0.00 175.52 176.78 2ppb h ALA 928 N 1.02 1.52 0.03 6.16 0.00 -0.04 0.16 119.26 128.11 2ppb h ALA 928 Ca 0.19 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2ppb h ALA 928 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ppb h ALA 928 CO 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.26 2ppb h ARG 929 N 0.81 -0.10 -0.79 0.00 3.08 -1.09 -2.74 114.38 113.55 2ppb h ARG 929 Ca 0.52 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.72 2ppb h ARG 929 Cb 0.70 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.68 2ppb h ARG 929 CO -0.34 -0.07 0.37 1.25 -1.07 0.00 0.00 179.97 180.12 2ppb h LEU 930 N -0.10 0.41 -0.05 3.04 5.85 -0.88 -0.80 115.31 122.77 2ppb h LEU 930 Ca 0.01 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2ppb h LEU 930 Cb 0.11 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2ppb h LEU 930 CO -0.03 0.17 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.12 2ppb h LEU 931 N 0.54 -0.17 -0.93 2.25 3.38 -0.80 -1.35 115.31 118.23 2ppb h LEU 931 Ca 0.43 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 2ppb h LEU 931 Cb 0.62 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2ppb h LEU 931 CO -0.37 -0.08 0.22 0.44 0.09 0.00 0.00 178.44 178.74 2ppb h ASP 932 N -0.07 0.93 -0.19 -0.43 3.45 -1.05 -0.94 116.42 118.11 2ppb h ASP 932 Ca 0.04 -0.15 0.02 0.00 0.43 0.00 0.00 57.03 57.37 2ppb h ASP 932 Cb 0.13 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 2ppb h ASP 932 CO -0.10 0.86 0.07 0.00 -1.57 0.00 0.00 179.24 178.49 2ppb h ALA 933 N 1.27 0.21 -0.15 3.45 0.00 -0.78 0.31 119.26 123.56 2ppb h ALA 933 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ppb h ALA 933 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ppb h ALA 933 CO -0.01 -0.36 0.09 -0.07 0.00 0.00 0.00 179.25 178.90 2ppb h LEU 934 N 0.16 0.16 -0.69 0.00 3.38 -0.99 -1.50 115.31 115.83 2ppb h LEU 934 Ca 0.08 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2ppb h LEU 934 Cb 0.04 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2ppb h LEU 934 CO -0.08 0.12 0.19 0.50 0.09 0.00 0.00 178.44 179.26 2ppb h LYS 935 N 0.19 0.31 0.46 1.13 3.11 -0.75 0.38 116.57 121.40 2ppb h LYS 935 Ca 0.06 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2ppb h LYS 935 Cb -0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 2ppb h LYS 935 CO -0.02 0.20 -0.22 -0.92 -2.81 0.00 0.00 179.45 175.69 2ppb h TYR 936 N 0.32 -0.57 -0.67 1.91 5.03 -0.06 -2.78 116.97 120.14 2ppb h TYR 936 Ca 0.37 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.63 2ppb h TYR 936 Cb 0.59 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 2ppb h TYR 936 CO -0.23 -0.26 0.27 1.88 -1.32 0.00 0.00 178.16 178.51 2ppb h TYR 937 N -1.04 1.02 -0.34 -3.82 -1.99 -1.04 -1.49 116.97 108.27 2ppb h TYR 937 Ca -0.06 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.62 2ppb h TYR 937 Cb 0.57 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2ppb h TYR 937 CO 0.02 0.79 0.23 0.78 -0.00 0.00 0.00 178.16 179.98 2ppb h GLY 938 N 0.95 0.37 0.84 3.88 0.00 -0.33 0.15 103.07 108.93 2ppb h GLY 938 Ca 0.22 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 2ppb h GLY 938 CO -0.02 0.11 -0.55 0.74 0.00 0.00 0.00 176.54 176.83 2ppb h PHE 939 N 0.33 0.66 0.56 5.60 0.05 -1.17 -2.83 116.94 120.15 2ppb h PHE 939 Ca 0.14 -0.32 -0.03 0.00 3.82 0.00 0.00 57.97 61.58 2ppb h PHE 939 Cb 0.16 -0.09 0.01 0.00 2.00 0.00 0.00 35.95 38.02 2ppb h PHE 939 CO -0.00 1.11 -0.27 1.15 -0.18 0.00 0.00 178.31 180.12 2ppb h THR 940 N 0.03 0.23 -0.99 -1.55 2.02 -0.55 -3.02 112.91 109.08 2ppb h THR 940 Ca -0.05 -0.40 0.20 0.00 0.77 0.00 0.00 66.41 66.92 2ppb h THR 940 Cb 1.22 0.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.85 2ppb h THR 940 CO 0.11 0.04 0.61 -0.26 0.37 0.00 0.00 175.52 176.39 2ppb h PHE 941 N -1.08 0.98 -0.52 3.16 0.05 -0.89 -1.06 116.94 117.58 2ppb h PHE 941 Ca -0.08 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.78 2ppb h PHE 941 Cb 0.64 -0.29 -0.04 0.00 2.00 0.00 0.00 35.95 38.25 2ppb h PHE 941 CO 0.01 0.22 0.28 1.03 -0.18 0.00 0.00 178.31 179.66 2ppb h SER 942 N 0.70 0.42 0.28 2.17 0.87 -1.50 0.13 113.55 116.62 2ppb h SER 942 Ca 0.57 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.14 2ppb h SER 942 Cb 0.97 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2ppb h SER 942 CO -0.35 0.29 -0.15 0.71 -0.53 0.00 0.00 176.83 176.80 2ppb h THR 943 N 0.55 0.70 -0.77 2.23 1.35 -1.07 -3.11 112.91 112.79 2ppb h THR 943 Ca 0.22 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.03 2ppb h THR 943 Cb 0.10 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 67.18 2ppb h THR 943 CO -0.14 0.00 0.26 0.74 -0.25 0.00 0.00 175.52 176.14 2ppb h THR 944 N -0.39 1.26 -0.96 6.82 2.02 -1.31 -2.88 112.91 117.47 2ppb h THR 944 Ca -0.03 -0.89 0.28 0.00 0.77 0.00 0.00 66.41 66.54 2ppb h THR 944 Cb 0.31 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2ppb h THR 944 CO 0.05 0.36 0.75 0.77 0.37 0.00 0.00 175.52 177.82 2ppb h SER 945 N 1.14 0.00 -4.77 4.18 4.64 -0.66 -3.45 113.55 114.62 2ppb h SER 945 Ca 0.25 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.22 2ppb h SER 945 Cb 0.28 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.47 2ppb h SER 945 CO -0.01 0.00 -0.58 0.61 -0.87 0.00 0.00 176.83 175.98 2ppb n GLY 946 N -1.70 -0.37 3.69 -0.77 0.00 -1.09 -4.95 105.19 100.00 2ppb n GLY 946 Ca 0.20 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2ppb n GLY 946 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ppb s ILE 947 N -3.21 4.84 0.06 -0.61 -5.25 -1.26 -5.01 121.20 110.75 2ppb s ILE 947 Ca 0.42 1.93 -0.08 0.00 -0.99 0.00 0.00 60.65 61.94 2ppb s ILE 947 Cb -0.19 -4.27 -0.00 0.00 2.95 0.00 0.00 42.46 40.95 2ppb s ILE 947 CO 0.52 0.07 0.16 0.42 -1.79 0.00 0.00 174.94 174.32 2ppb s THR 948 N 1.68 0.13 0.01 8.37 -4.23 -1.26 -5.10 115.64 115.24 2ppb s THR 948 Ca 0.47 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.67 2ppb s THR 948 Cb -0.19 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.50 2ppb s THR 948 CO 0.20 -0.61 0.62 -0.63 -0.54 0.00 0.00 174.62 173.66 2ppb s ILE 949 N -3.13 4.88 0.02 2.99 -1.09 -1.26 -4.67 121.20 118.93 2ppb s ILE 949 Ca -0.01 1.30 0.02 0.00 -2.23 0.00 0.00 60.65 59.73 2ppb s ILE 949 Cb 0.02 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.93 2ppb s ILE 949 CO -0.07 0.41 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.16 2ppb s GLY 950 N -0.20 0.36 0.31 6.18 0.00 -1.26 -5.03 107.32 107.68 2ppb s GLY 950 Ca 0.32 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2ppb s GLY 950 CO 0.18 -0.47 1.92 1.19 0.00 0.00 0.00 173.10 175.92 2ppb h ILE 951 N 4.78 1.06 0.00 0.90 -0.00 -1.97 0.78 117.51 123.07 2ppb h ILE 951 Ca -0.31 -0.34 -0.09 0.00 -0.00 0.00 0.00 64.86 64.12 2ppb h ILE 951 Cb 1.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.82 37.99 2ppb h ILE 951 CO 0.46 0.18 -0.42 0.44 -0.00 0.00 0.00 178.15 178.81 2ppb h ASP 952 N 1.00 0.00 -0.97 2.19 5.19 -2.02 -2.92 116.42 118.89 2ppb h ASP 952 Ca 0.38 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.81 2ppb h ASP 952 Cb 0.20 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 2ppb h ASP 952 CO -0.14 0.42 0.64 0.44 -3.12 0.00 0.00 179.24 177.48 2ppb h ASP 953 N 0.00 1.08 -2.12 6.45 3.45 -1.24 -3.35 116.42 120.70 2ppb h ASP 953 Ca -0.00 -0.02 -0.59 0.00 0.43 0.00 0.00 57.03 56.85 2ppb h ASP 953 Cb 0.85 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 2ppb h ASP 953 CO 0.05 0.77 1.46 0.00 -1.57 0.00 0.00 179.24 179.95 2ppb s ALA 954 N -6.11 2.74 -0.26 3.45 0.00 -1.10 -4.79 121.76 115.69 2ppb s ALA 954 Ca -0.13 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.42 2ppb s ALA 954 Cb 0.18 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2ppb s ALA 954 CO 0.81 -2.78 0.14 0.08 0.00 0.00 0.00 175.76 174.01 2ppb s VAL 955 N 8.08 4.91 0.31 0.00 1.01 -1.26 -4.91 120.40 128.55 2ppb s VAL 955 Ca 0.97 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.71 2ppb s VAL 955 Cb -0.31 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 2ppb s VAL 955 CO 0.35 0.29 0.97 -0.63 0.00 0.00 0.00 175.10 176.09 2ppb s ILE 956 N 1.64 4.03 0.38 2.22 1.01 -1.26 -4.81 121.20 124.40 2ppb s ILE 956 Ca 0.07 1.78 -0.22 0.00 0.00 0.00 0.00 60.65 62.27 2ppb s ILE 956 Cb -0.15 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 2ppb s ILE 956 CO 0.08 0.23 0.93 -2.84 0.00 0.00 0.00 174.94 173.33 2ppb s PRO 957 N -1.85 4.35 0.24 2.79 0.02 -1.26 -4.95 135.00 134.34 2ppb s PRO 957 Ca 0.49 1.16 0.25 0.00 0.02 0.00 0.00 61.00 62.92 2ppb s PRO 957 Cb -0.22 -2.45 0.86 0.00 0.02 0.00 0.00 34.50 32.71 2ppb s PRO 957 CO 0.28 0.11 1.76 1.49 -0.33 0.00 0.00 177.00 180.31 2ppb h GLU 958 N 2.46 0.00 0.00 5.54 4.57 -1.98 -2.67 114.58 122.51 2ppb h GLU 958 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2ppb h GLU 958 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2ppb h GLU 958 CO 0.63 0.00 0.00 1.05 -1.18 0.00 0.00 179.01 179.51 2ppb h GLU 959 N 0.00 0.00 -0.82 1.92 9.09 -1.99 -3.31 114.58 119.48 2ppb h GLU 959 Ca 0.00 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.58 2ppb h GLU 959 Cb 0.62 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.62 2ppb h GLU 959 CO 0.00 0.00 0.33 -0.22 0.05 0.00 0.00 179.01 179.17 2ppb h LYS 960 N 0.00 0.42 -0.52 1.06 3.64 -1.87 0.62 116.57 119.92 2ppb h LYS 960 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2ppb h LYS 960 Cb 0.94 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2ppb h LYS 960 CO 0.00 0.28 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.21 2ppb h LYS 961 N 0.43 0.90 0.21 1.90 3.64 -1.77 -1.85 116.57 120.02 2ppb h LYS 961 Ca 0.47 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2ppb h LYS 961 Cb 0.79 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2ppb h LYS 961 CO -0.46 0.91 -0.10 1.96 -2.27 0.00 0.00 179.45 179.49 2ppb h GLN 962 N 0.82 -0.27 -1.01 1.90 7.50 -1.12 -2.11 115.11 120.82 2ppb h GLN 962 Ca 0.15 0.02 0.24 0.00 0.50 0.00 0.00 58.65 59.56 2ppb h GLN 962 Cb 0.52 0.06 -0.10 0.00 0.05 0.00 0.00 27.48 28.02 2ppb h GLN 962 CO 0.03 -0.18 0.64 1.88 -1.50 0.00 0.00 178.83 179.70 2ppb h TYR 963 N -0.38 0.78 0.01 2.96 -1.99 -1.25 0.89 116.97 117.99 2ppb h TYR 963 Ca -0.03 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ppb h TYR 963 Cb 0.21 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2ppb h TYR 963 CO 0.11 0.10 -0.00 1.25 -0.00 0.00 0.00 178.16 179.62 2ppb h LEU 964 N 0.49 -0.01 -0.68 3.88 6.46 -1.41 -2.02 115.31 122.02 2ppb h LEU 964 Ca 0.59 -0.39 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2ppb h LEU 964 Cb 1.31 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 2ppb h LEU 964 CO -0.33 0.39 0.32 -0.08 -0.62 0.00 0.00 178.44 178.12 2ppb h GLU 965 N -0.41 0.98 -0.95 1.25 4.57 -0.00 0.67 114.58 120.69 2ppb h GLU 965 Ca -0.00 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2ppb h GLU 965 Cb 0.40 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 2ppb h GLU 965 CO 0.00 0.78 0.61 0.93 -1.18 0.00 0.00 179.01 180.15 2ppb h GLU 966 N 0.95 1.27 0.00 1.92 5.08 0.62 -0.45 114.58 123.96 2ppb h GLU 966 Ca 0.23 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 2ppb h GLU 966 Cb 0.13 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2ppb h GLU 966 CO -0.03 0.86 -0.78 0.00 -1.00 0.00 0.00 179.01 178.06 2ppb h ALA 967 N 1.33 0.64 0.79 3.43 0.00 -1.01 -2.64 119.26 121.80 2ppb h ALA 967 Ca 0.35 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2ppb h ALA 967 Cb -0.11 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2ppb h ALA 967 CO -0.07 0.98 -0.38 -0.44 0.00 0.00 0.00 179.25 179.34 2ppb h ASP 968 N 0.00 -0.90 -0.68 0.00 3.32 0.14 -1.85 116.42 116.44 2ppb h ASP 968 Ca -0.01 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.11 2ppb h ASP 968 Cb 1.44 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 41.18 2ppb h ASP 968 CO 0.10 -0.63 0.41 0.08 -1.72 0.00 0.00 179.24 177.48 2ppb h ARG 969 N -1.08 0.78 -0.23 3.56 0.11 -1.20 -0.57 114.38 115.74 2ppb h ARG 969 Ca -0.11 -0.05 0.05 0.00 0.10 0.00 0.00 59.98 59.97 2ppb h ARG 969 Cb 0.82 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 2ppb h ARG 969 CO 0.18 0.51 0.16 -0.22 0.10 0.00 0.00 179.97 180.70 2ppb h LYS 970 N 0.80 0.08 -0.16 0.08 3.64 -1.40 0.91 116.57 120.51 2ppb h LYS 970 Ca 0.28 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2ppb h LYS 970 Cb 0.06 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2ppb h LYS 970 CO -0.13 0.05 -0.26 1.25 -2.27 0.00 0.00 179.45 178.10 2ppb h LEU 971 N 0.08 0.29 -0.60 5.20 5.85 -0.23 -2.28 115.31 123.62 2ppb h LEU 971 Ca 0.10 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2ppb h LEU 971 Cb 0.31 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2ppb h LEU 971 CO -0.01 0.55 0.23 0.25 -0.34 0.00 0.00 178.44 179.12 2ppb h LEU 972 N 0.26 0.83 -0.91 2.25 6.46 -0.59 -1.54 115.31 122.07 2ppb h LEU 972 Ca 0.04 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2ppb h LEU 972 Cb 0.60 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2ppb h LEU 972 CO 0.04 0.78 0.46 1.56 -0.62 0.00 0.00 178.44 180.66 2ppb h GLN 973 N 0.83 1.23 -0.68 1.25 4.20 -1.01 0.19 115.11 121.12 2ppb h GLN 973 Ca 0.20 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2ppb h GLN 973 Cb 0.21 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2ppb h GLN 973 CO -0.02 0.91 0.23 0.82 -0.67 0.00 0.00 178.83 180.11 2ppb h ILE 974 N 1.23 1.24 -0.22 2.54 2.04 -1.08 0.12 117.51 123.37 2ppb h ILE 974 Ca 0.30 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 2ppb h ILE 974 Cb 0.06 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2ppb h ILE 974 CO -0.05 0.32 -0.06 -0.33 0.00 0.00 0.00 178.15 178.04 2ppb h GLU 975 N 1.00 0.43 -0.09 2.37 5.08 -0.46 -1.23 114.58 121.68 2ppb h GLU 975 Ca 0.22 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2ppb h GLU 975 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ppb h GLU 975 CO -0.01 0.68 -0.10 1.96 -1.00 0.00 0.00 179.01 180.54 2ppb h GLN 976 N 0.16 0.13 0.00 2.33 4.20 -0.45 0.23 115.11 121.72 2ppb h GLN 976 Ca 0.06 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2ppb h GLN 976 Cb 0.52 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2ppb h GLN 976 CO 0.02 0.24 -0.30 0.00 -0.67 0.00 0.00 178.83 178.12 2ppb h ALA 977 N 1.78 1.00 0.08 3.87 0.00 -0.44 -3.11 119.26 122.44 2ppb h ALA 977 Ca 0.03 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 54.30 2ppb h ALA 977 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ppb h ALA 977 CO 0.01 0.38 -2.10 0.98 0.00 0.00 0.00 179.25 178.52 2ppb n TYR 978 N -3.45 0.89 0.07 0.00 9.36 -0.49 -2.79 117.16 120.75 2ppb n TYR 978 Ca 0.00 0.20 0.05 0.00 3.32 0.00 0.00 57.90 61.47 2ppb n TYR 978 Cb 0.48 -1.12 0.25 0.00 -0.63 0.00 0.00 39.34 38.31 2ppb n TYR 978 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2ppb n GLU 979 N -3.35 0.06 -0.08 2.98 1.02 0.74 -1.09 120.64 120.92 2ppb n GLU 979 Ca -0.34 0.56 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2ppb n GLU 979 Cb 1.04 -1.70 -0.16 0.00 -0.02 0.00 0.00 31.44 30.61 2ppb n GLU 979 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2ppb n MET 980 N -1.81 0.68 0.00 3.49 2.81 -1.18 -5.01 117.12 116.09 2ppb n MET 980 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ppb n MET 980 Cb 0.02 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 2ppb n MET 980 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ppb n GLY 981 N 1.66 1.29 0.08 3.03 0.00 -0.25 -5.03 105.19 105.98 2ppb n GLY 981 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2ppb n GLY 981 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2ppb h PHE 982 N 0.00 0.14 -3.52 1.61 -1.00 -1.73 -3.44 116.94 109.00 2ppb h PHE 982 Ca 0.00 -0.06 -0.61 0.00 2.81 0.00 0.00 57.97 60.12 2ppb h PHE 982 Cb 0.00 -0.02 -0.12 0.00 3.61 0.00 0.00 35.95 39.41 2ppb h PHE 982 CO 0.00 0.70 -0.27 -0.48 -1.61 0.00 0.00 178.31 176.66 2ppb s LEU 983 N -8.91 4.14 0.71 1.54 2.34 -1.19 -5.05 118.68 112.25 2ppb s LEU 983 Ca -0.16 0.41 -0.16 0.00 0.06 0.00 0.00 54.13 54.28 2ppb s LEU 983 Cb 0.02 -2.42 0.03 0.00 -0.56 0.00 0.00 46.19 43.25 2ppb s LEU 983 CO 0.71 -0.06 1.23 -0.89 -1.06 0.00 0.00 176.35 176.28 2ppb s THR 984 N 1.32 2.19 0.37 5.48 2.01 -1.26 -4.69 115.64 121.06 2ppb s THR 984 Ca 0.16 0.10 0.20 0.00 0.31 0.00 0.00 61.69 62.46 2ppb s THR 984 Cb -0.15 -2.77 0.35 0.00 0.01 0.00 0.00 72.50 69.94 2ppb s THR 984 CO 0.07 -0.04 1.61 0.44 -0.69 0.00 0.00 174.62 176.01 2ppb h ASP 985 N -0.09 0.37 0.37 3.53 3.45 -1.99 -0.75 116.42 121.32 2ppb h ASP 985 Ca -0.49 0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.19 2ppb h ASP 985 Cb 1.31 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 40.30 2ppb h ASP 985 CO 0.50 -0.33 -0.18 -0.09 -1.57 0.00 0.00 179.24 177.57 2ppb h ARG 986 N 0.10 -0.48 -0.99 3.56 9.65 -2.01 -3.26 114.38 120.95 2ppb h ARG 986 Ca 0.82 0.03 0.34 0.00 -1.10 0.00 0.00 59.98 60.07 2ppb h ARG 986 Cb 2.11 0.11 -0.18 0.00 -1.39 0.00 0.00 29.97 30.62 2ppb h ARG 986 CO -0.70 -0.32 0.30 0.93 2.80 0.00 0.00 179.97 182.99 2ppb h GLU 987 N -1.10 0.03 0.38 0.20 5.08 -1.50 0.23 114.58 117.89 2ppb h GLU 987 Ca -0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2ppb h GLU 987 Cb 0.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2ppb h GLU 987 CO 0.08 0.02 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.64 2ppb h ARG 988 N 0.03 -0.75 0.26 2.33 1.12 -1.47 -1.24 114.38 114.66 2ppb h ARG 988 Ca 0.72 0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 59.64 2ppb h ARG 988 Cb 1.73 0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 31.86 2ppb h ARG 988 CO -0.83 -0.50 -0.17 -0.92 -3.11 0.00 0.00 179.97 174.44 2ppb h TYR 989 N -0.78 -0.46 0.00 2.20 3.20 -0.62 -0.95 116.97 119.57 2ppb h TYR 989 Ca -0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2ppb h TYR 989 Cb 0.70 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 2ppb h TYR 989 CO -0.21 -0.27 -0.08 0.38 -1.64 0.00 0.00 178.16 176.33 2ppb h ASP 990 N -0.43 0.00 0.43 -2.11 2.03 -1.33 -1.75 116.42 113.27 2ppb h ASP 990 Ca -0.02 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.00 2ppb h ASP 990 Cb 0.36 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.88 2ppb h ASP 990 CO 0.01 0.08 -1.22 1.56 -1.03 0.00 0.00 179.24 178.65 2ppb h GLN 991 N 0.00 0.40 -0.34 4.15 4.20 -0.85 -2.82 115.11 119.85 2ppb h GLN 991 Ca -0.00 -0.60 -0.09 0.00 0.06 0.00 0.00 58.65 58.03 2ppb h GLN 991 Cb 0.26 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2ppb h GLN 991 CO 0.01 1.26 -0.12 0.82 -0.67 0.00 0.00 178.83 180.13 2ppb h ILE 992 N 0.15 1.28 -0.44 2.54 2.04 -0.58 -2.75 117.51 119.76 2ppb h ILE 992 Ca -0.15 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.53 2ppb h ILE 992 Cb 1.91 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 2ppb h ILE 992 CO 0.21 0.39 0.24 -0.07 0.00 0.00 0.00 178.15 178.93 2ppb h LEU 993 N 0.46 0.37 -0.79 1.44 3.38 -1.42 -2.19 115.31 116.56 2ppb h LEU 993 Ca 0.08 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ppb h LEU 993 Cb 0.64 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2ppb h LEU 993 CO 0.04 0.26 0.47 -0.61 0.09 0.00 0.00 178.44 178.70 2ppb h GLN 994 N 0.48 0.83 -0.13 1.13 5.75 -1.45 0.42 115.11 122.14 2ppb h GLN 994 Ca 0.18 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2ppb h GLN 994 Cb 0.06 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 2ppb h GLN 994 CO -0.11 0.55 -0.23 1.25 -2.65 0.00 0.00 178.83 177.64 2ppb h LEU 995 N 0.86 -0.72 -0.12 -2.39 5.85 -1.09 -1.91 115.31 115.79 2ppb h LEU 995 Ca 0.35 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 59.11 2ppb h LEU 995 Cb 0.19 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2ppb h LEU 995 CO -0.18 -0.28 -0.21 -0.50 -0.34 0.00 0.00 178.44 176.93 2ppb h TRP 996 N -0.29 0.44 -1.01 1.25 4.06 -1.20 -0.96 115.95 118.24 2ppb h TRP 996 Ca 0.10 -0.15 0.25 0.00 2.06 0.00 0.00 58.89 61.15 2ppb h TRP 996 Cb 0.44 -0.08 -0.08 0.00 -1.00 0.00 0.00 29.16 28.44 2ppb h TRP 996 CO -0.34 0.82 0.66 1.15 -3.56 0.00 0.00 178.44 177.18 2ppb h THR 997 N -0.07 0.56 0.05 1.49 2.02 -0.80 0.81 112.91 116.97 2ppb h THR 997 Ca 0.01 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 2ppb h THR 997 Cb 0.78 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2ppb h THR 997 CO 0.05 0.07 -0.59 -0.33 0.37 0.00 0.00 175.52 175.08 2ppb h GLU 998 N 0.37 0.11 -0.69 6.66 5.08 -1.30 -3.27 114.58 121.54 2ppb h GLU 998 Ca 0.56 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 2ppb h GLU 998 Cb 1.47 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.71 2ppb h GLU 998 CO -0.24 1.09 0.33 0.00 -1.00 0.00 0.00 179.01 179.19 2ppb h THR 999 N -0.75 0.84 -0.57 1.13 1.03 -0.05 0.80 112.91 115.34 2ppb h THR 999 Ca -0.13 -0.20 -0.04 0.00 -0.01 0.00 0.00 66.41 66.03 2ppb h THR 999 Cb 1.31 0.22 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 2ppb h THR 999 CO 0.01 0.10 0.21 0.00 -0.01 0.00 0.00 175.52 175.83 2ppb h THR 1000N 0.57 1.23 -0.05 0.00 1.03 0.44 -1.85 112.91 114.28 2ppb h THR 1000Ca 0.34 -0.74 -0.05 0.00 -0.01 0.00 0.00 66.41 65.94 2ppb h THR 1000Cb 0.36 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 2ppb h THR 1000CO -0.27 0.28 -0.21 -0.08 -0.01 0.00 0.00 175.52 175.23 2ppb h GLU 1001N 0.78 0.08 0.15 0.00 4.22 -1.41 -1.58 114.58 116.82 2ppb h GLU 1001Ca 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.60 2ppb h GLU 1001Cb 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ppb h GLU 1001CO -0.01 0.29 -0.07 0.87 -2.18 0.00 0.00 179.01 177.91 2ppb h LYS 1002N 0.08 -0.19 -0.87 1.92 1.57 -0.14 -2.58 116.57 116.34 2ppb h LYS 1002Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2ppb h LYS 1002Cb 0.41 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2ppb h LYS 1002CO 0.03 0.07 0.57 0.28 -0.57 0.00 0.00 179.45 179.82 2ppb h VAL 1003N -0.44 0.94 0.00 0.50 2.07 -1.05 -1.80 116.25 116.48 2ppb h VAL 1003Ca -0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2ppb h VAL 1003Cb 0.35 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2ppb h VAL 1003CO 0.03 0.15 0.00 0.41 0.02 0.00 0.00 177.57 178.18 2ppb n THR 1004N -4.53 0.00 0.06 2.57 -1.04 -0.62 -0.53 114.28 110.19 2ppb n THR 1004Ca 0.15 1.30 0.21 0.00 -2.04 0.00 0.00 64.05 63.67 2ppb n THR 1004Cb 0.33 -2.04 0.74 0.00 -1.82 0.00 0.00 70.33 67.54 2ppb n THR 1004CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2ppb h GLN 1005N 0.00 0.00 0.72 -2.82 4.20 -1.36 -2.21 115.11 113.63 2ppb h GLN 1005Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2ppb h GLN 1005Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 2ppb h GLN 1005CO 0.00 0.00 -0.34 0.00 -0.67 0.00 0.00 178.83 177.82 2ppb h ALA 1006N 1.55 -0.96 -0.50 3.87 0.00 -0.37 0.12 119.26 122.97 2ppb h ALA 1006Ca 0.22 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ppb h ALA 1006Cb 1.09 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 2ppb h ALA 1006CO -0.00 -0.94 -0.26 0.28 0.00 0.00 0.00 179.25 178.32 2ppb h VAL 1007N -1.16 0.28 -0.27 0.00 2.07 -0.17 0.14 116.25 117.13 2ppb h VAL 1007Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2ppb h VAL 1007Cb 0.76 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2ppb h VAL 1007CO 0.16 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.63 2ppb h PHE 1008N -0.15 0.26 -0.63 1.57 0.05 -1.53 -1.00 116.94 115.50 2ppb h PHE 1008Ca 0.22 0.01 0.15 0.00 3.82 0.00 0.00 57.97 62.17 2ppb h PHE 1008Cb 0.50 -0.08 -0.03 0.00 2.00 0.00 0.00 35.95 38.34 2ppb h PHE 1008CO -0.53 0.14 0.44 -0.22 -0.18 0.00 0.00 178.31 177.96 2ppb h LYS 1009N 0.29 0.20 0.22 1.51 3.64 0.82 0.32 116.57 123.57 2ppb h LYS 1009Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2ppb h LYS 1009Cb 0.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2ppb h LYS 1009CO -0.07 0.14 -0.11 -0.97 -2.27 0.00 0.00 179.45 176.17 2ppb h ASN 1010N 0.21 -0.25 -0.37 4.20 -0.73 0.50 -2.48 115.58 116.65 2ppb h ASN 1010Ca 0.30 -0.27 0.04 0.00 1.87 0.00 0.00 56.30 58.25 2ppb h ASN 1010Cb 0.90 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 39.52 2ppb h ASN 1010CO -0.06 0.19 0.14 -0.26 -0.37 0.00 0.00 177.43 177.07 2ppb h PHE 1011N -0.76 0.25 -0.69 0.67 0.04 -0.57 0.49 116.94 116.37 2ppb h PHE 1011Ca -0.03 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.89 2ppb h PHE 1011Cb 0.50 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.50 2ppb h PHE 1011CO 0.05 0.11 0.19 1.49 -0.60 0.00 0.00 178.31 179.55 2ppb h GLU 1012N 0.30 0.31 0.06 1.51 4.81 -0.46 0.37 114.58 121.48 2ppb h GLU 1012Ca 0.17 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 59.06 2ppb h GLU 1012Cb 0.14 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2ppb h GLU 1012CO -0.17 0.20 -1.76 0.39 -0.73 0.00 0.00 179.01 176.94 2ppb n GLU 1013N -5.10 0.66 -0.10 1.92 1.02 -0.94 -4.53 120.64 113.58 2ppb n GLU 1013Ca 0.12 0.38 -0.20 0.00 -0.02 0.00 0.00 57.16 57.44 2ppb n GLU 1013Cb 0.39 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 2ppb n GLU 1013CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ppb n ASN 1014N -3.91 2.01 -3.53 1.62 3.02 0.17 -4.76 115.26 109.88 2ppb n ASN 1014Ca -0.34 0.02 -0.27 0.00 -0.03 0.00 0.00 54.58 53.95 2ppb n ASN 1014Cb 0.89 -0.59 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 2ppb n ASN 1014CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2ppb n TYR 1015N -3.46 2.86 0.26 3.10 4.01 0.05 -4.89 117.16 119.08 2ppb n TYR 1015Ca -0.43 -4.09 0.11 0.00 -0.16 0.00 0.00 57.90 53.33 2ppb n TYR 1015Cb 0.98 -0.51 0.74 0.00 -0.31 0.00 0.00 39.34 40.24 2ppb n TYR 1015CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ppb h PRO 1016N 4.59 0.00 -2.17 -0.72 0.11 -1.60 -2.80 132.00 129.41 2ppb h PRO 1016Ca 0.18 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.58 2ppb h PRO 1016Cb 0.72 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.50 2ppb h PRO 1016CO 0.74 0.00 0.30 1.19 -0.21 0.00 0.00 178.00 180.02 2ppb n PHE 1017N -4.28 3.31 -3.26 0.65 0.99 -1.26 -4.71 117.46 108.89 2ppb n PHE 1017Ca -0.02 -3.09 -0.38 0.00 -0.00 0.00 0.00 57.45 53.96 2ppb n PHE 1017Cb 0.12 -0.85 -0.06 0.00 -1.00 0.00 0.00 39.48 37.69 2ppb n PHE 1017CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2ppb s ASN 1018N -2.26 6.73 0.12 4.37 3.84 -1.06 -4.96 114.94 121.73 2ppb s ASN 1018Ca 0.45 0.87 -0.33 0.00 0.21 0.00 0.00 52.86 54.05 2ppb s ASN 1018Cb 0.27 -2.31 -0.12 0.00 -0.55 0.00 0.00 41.25 38.54 2ppb s ASN 1018CO -0.17 -0.03 1.55 -0.65 -2.79 0.00 0.00 177.10 175.00 2ppb h PRO 1019N 6.79 -0.46 -0.71 0.43 0.11 -1.89 0.65 132.00 136.90 2ppb h PRO 1019Ca -0.40 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.80 2ppb h PRO 1019Cb 1.18 0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2ppb h PRO 1019CO 0.75 -0.31 0.47 1.25 -0.21 0.00 0.00 178.00 179.96 2ppb h LEU 1020N -0.48 0.65 -0.11 2.35 5.85 -1.87 -2.71 115.31 118.99 2ppb h LEU 1020Ca 0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.64 2ppb h LEU 1020Cb 0.63 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2ppb h LEU 1020CO -0.52 0.42 -0.45 0.22 -0.34 0.00 0.00 178.44 177.77 2ppb h TYR 1021N 0.74 0.67 -0.37 1.25 -0.00 -1.44 -3.09 116.97 114.73 2ppb h TYR 1021Ca 0.31 -0.29 -0.06 0.00 -0.00 0.00 0.00 58.73 58.69 2ppb h TYR 1021Cb 0.26 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 36.86 2ppb h TYR 1021CO -0.00 1.05 0.01 0.28 -0.00 0.00 0.00 178.16 179.50 2ppb h VAL 1022N 0.10 1.26 -0.99 1.81 2.07 0.41 -1.41 116.25 119.50 2ppb h VAL 1022Ca -0.03 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2ppb h VAL 1022Cb 1.09 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2ppb h VAL 1022CO 0.10 0.33 0.65 -0.03 0.02 0.00 0.00 177.57 178.63 2ppb h MET 1023N 0.48 1.21 -0.10 1.57 4.05 -1.58 0.38 114.93 120.94 2ppb h MET 1023Ca 0.11 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.28 2ppb h MET 1023Cb 0.45 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2ppb h MET 1023CO 0.02 0.80 -0.67 0.00 0.23 0.00 0.00 176.91 177.29 2ppb h ALA 1024N 1.41 0.68 0.03 0.39 0.00 -1.19 -1.40 119.26 119.18 2ppb h ALA 1024Ca 0.40 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ppb h ALA 1024Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ppb h ALA 1024CO -0.13 0.74 -0.01 1.96 0.00 0.00 0.00 179.25 181.81 2ppb h GLN 1025N 0.28 -0.04 -7.12 0.00 1.08 -0.79 -3.44 115.11 105.08 2ppb h GLN 1025Ca -0.02 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.64 2ppb h GLN 1025Cb 1.22 0.01 0.14 0.00 -0.05 0.00 0.00 27.48 28.80 2ppb h GLN 1025CO 0.11 0.66 0.48 -1.12 -0.95 0.00 0.00 178.83 178.01 2ppb s SER 1026N -5.91 4.68 0.00 1.46 0.01 0.13 -4.80 113.70 109.26 2ppb s SER 1026Ca -0.16 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.60 2ppb s SER 1026Cb -0.01 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2ppb s SER 1026CO 0.59 -1.95 0.10 0.61 0.41 0.00 0.00 173.24 173.01 2ppb n GLY 1027N 0.67 -0.03 0.00 3.44 0.00 -1.26 -4.34 105.19 103.67 2ppb n GLY 1027Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2ppb n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb n ALA 1028N -0.57 0.00 -3.00 4.61 0.00 -1.19 -4.73 120.51 115.63 2ppb n ALA 1028Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2ppb n ALA 1028Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2ppb n ALA 1028CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ppb s ARG 1029N 0.00 0.29 0.00 0.00 1.81 -0.53 -4.59 118.95 115.93 2ppb s ARG 1029Ca 0.00 -0.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.66 2ppb s ARG 1029Cb 0.00 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 2ppb s ARG 1029CO 0.00 -0.06 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 2ppb n GLY 1030N 1.97 3.78 3.21 -3.53 0.00 -1.26 -1.75 105.19 107.61 2ppb n GLY 1030Ca -0.20 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 2ppb n GLY 1030CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ppb s ASN 1031N 0.00 2.10 0.27 1.61 3.84 -1.26 -4.73 114.94 116.76 2ppb s ASN 1031Ca 0.00 -0.53 -0.01 0.00 0.21 0.00 0.00 52.86 52.53 2ppb s ASN 1031Cb 0.00 -0.14 0.51 0.00 -0.55 0.00 0.00 41.25 41.07 2ppb s ASN 1031CO 0.00 0.07 1.81 -0.65 -2.79 0.00 0.00 177.10 175.54 2ppb h PRO 1032N 4.70 0.83 0.00 0.43 0.11 -2.00 -0.10 132.00 135.97 2ppb h PRO 1032Ca -0.41 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 2ppb h PRO 1032Cb 1.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2ppb h PRO 1032CO 0.43 0.55 -0.49 0.37 -0.21 0.00 0.00 178.00 178.65 2ppb h GLN 1033N 0.85 0.00 0.05 1.05 5.75 -2.00 -3.06 115.11 117.75 2ppb h GLN 1033Ca 0.47 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.96 2ppb h GLN 1033Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2ppb h GLN 1033CO -0.28 0.49 -0.02 1.96 -2.65 0.00 0.00 178.83 178.32 2ppb h GLN 1034N 0.00 -0.06 -0.88 1.69 4.20 -1.57 -3.21 115.11 115.28 2ppb h GLN 1034Ca -0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 2ppb h GLN 1034Cb 1.00 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.67 2ppb h GLN 1034CO 0.06 0.56 0.35 0.82 -0.67 0.00 0.00 178.83 179.96 2ppb h ILE 1035N -0.80 0.46 -0.95 2.54 1.08 -1.13 0.85 117.51 119.56 2ppb h ILE 1035Ca -0.01 -0.13 0.22 0.00 -0.39 0.00 0.00 64.86 64.56 2ppb h ILE 1035Cb 0.65 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.39 2ppb h ILE 1035CO 0.01 0.07 0.62 -0.09 -0.69 0.00 0.00 178.15 178.07 2ppb h ARG 1036N 0.36 0.42 0.00 2.37 2.43 -1.57 0.11 114.38 118.50 2ppb h ARG 1036Ca 0.54 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2ppb h ARG 1036Cb 1.03 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2ppb h ARG 1036CO -0.54 0.28 -0.02 1.04 -1.51 0.00 0.00 179.97 179.21 2ppb n GLN 1037N -4.55 0.14 -0.14 0.20 6.02 0.29 0.02 117.38 119.36 2ppb n GLN 1037Ca 0.21 0.11 -0.27 0.00 -0.01 0.00 0.00 57.00 57.04 2ppb n GLN 1037Cb 0.74 -1.66 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 2ppb n GLN 1037CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ppb n LEU 1038N -1.90 2.09 -0.12 1.08 4.77 0.29 -0.66 117.00 122.55 2ppb n LEU 1038Ca 0.06 0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 2ppb n LEU 1038Cb 0.39 -0.82 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2ppb n LEU 1038CO 0.29 0.63 -1.16 0.00 -1.33 0.00 0.00 177.39 175.82 2ppb n GLY 1040N 1.53 0.88 3.34 0.00 0.00 -0.74 -4.47 105.19 105.74 2ppb n GLY 1040Ca -0.46 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2ppb n GLY 1040CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ppb s LEU 1041N 0.00 0.27 -0.75 0.99 2.34 0.10 -4.20 118.68 117.43 2ppb s LEU 1041Ca 0.00 0.91 -0.26 0.00 0.06 0.00 0.00 54.13 54.83 2ppb s LEU 1041Cb 0.00 1.54 0.02 0.00 -0.56 0.00 0.00 46.19 47.19 2ppb s LEU 1041CO 0.00 -0.16 1.42 -0.60 -1.06 0.00 0.00 176.35 175.95 2ppb s ARG 1042N 0.27 3.11 -0.06 1.48 3.52 -1.19 -4.67 118.95 121.40 2ppb s ARG 1042Ca -0.00 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.29 2ppb s ARG 1042Cb -0.03 -4.37 -0.30 0.00 -1.56 0.00 0.00 34.95 28.69 2ppb s ARG 1042CO 0.00 -2.30 0.63 0.78 -0.81 0.00 0.00 175.30 173.60 2ppb h GLY 1043N 13.75 0.41 -6.09 8.12 0.00 -1.88 -3.33 103.07 114.05 2ppb h GLY 1043Ca -0.21 -1.05 -0.57 0.00 0.00 0.00 0.00 47.33 45.50 2ppb h GLY 1043CO 1.28 0.92 -0.83 1.08 0.00 0.00 0.00 176.54 178.99 2ppb s LEU 1044N -7.35 1.64 -0.19 3.11 1.43 -1.26 0.11 118.68 116.17 2ppb s LEU 1044Ca -0.17 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2ppb s LEU 1044Cb 0.05 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 45.29 2ppb s LEU 1044CO 0.83 -0.01 -0.01 -0.04 0.23 0.00 0.00 176.35 177.35 2ppb s MET 1045N 1.08 1.10 0.96 1.70 -1.94 -1.26 -5.03 119.30 115.92 2ppb s MET 1045Ca -0.05 -0.57 -0.14 0.00 -1.71 0.00 0.00 55.69 53.22 2ppb s MET 1045Cb -0.14 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.55 2ppb s MET 1045CO -0.03 -0.56 0.19 1.04 -0.01 0.00 0.00 175.02 175.65 2ppb n GLN 1046N 4.91 -0.29 -0.80 2.03 3.00 -1.26 -3.95 117.38 121.02 2ppb n GLN 1046Ca -0.10 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.71 2ppb n GLN 1046Cb 0.47 -1.71 0.09 0.00 0.00 0.00 0.00 30.24 29.09 2ppb n GLN 1046CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2ppb n LYS 1047N -1.02 -0.71 0.10 -1.09 5.02 -0.74 -4.53 118.16 115.19 2ppb n LYS 1047Ca 0.05 -0.90 -0.12 0.00 -2.02 0.00 0.00 58.31 55.32 2ppb n LYS 1047Cb 0.54 -0.62 -0.05 0.00 -0.02 0.00 0.00 35.03 34.88 2ppb n LYS 1047CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2ppb h PRO 1048N 0.00 -0.41 0.17 1.97 0.11 -1.94 -3.33 132.00 128.57 2ppb h PRO 1048Ca -0.19 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 2ppb h PRO 1048Cb 0.53 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2ppb h PRO 1048CO 0.13 -0.27 -0.09 0.66 -0.21 0.00 0.00 178.00 178.22 2ppb h SER 1049N -0.43 -0.22 0.00 -2.05 4.64 -2.00 -3.48 113.55 110.02 2ppb h SER 1049Ca 0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ppb h SER 1049Cb 0.47 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2ppb h SER 1049CO -0.16 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.26 2ppb n GLY 1050N -1.12 0.12 3.65 -0.77 0.00 -1.25 -5.11 105.19 100.71 2ppb n GLY 1050Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2ppb n GLY 1050CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ppb n GLU 1051N 0.00 2.66 -2.04 1.61 0.28 -1.26 -4.62 120.64 117.27 2ppb n GLU 1051Ca 0.00 0.95 -0.37 0.00 -0.16 0.00 0.00 57.16 57.58 2ppb n GLU 1051Cb 0.00 -2.98 0.02 0.00 1.43 0.00 0.00 31.44 29.90 2ppb n GLU 1051CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2ppb s THR 1052N 4.90 2.64 0.65 3.84 -1.32 -1.26 -1.78 115.64 123.30 2ppb s THR 1052Ca 0.91 0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 61.68 2ppb s THR 1052Cb -0.46 -3.23 -0.01 0.00 -1.51 0.00 0.00 72.50 67.29 2ppb s THR 1052CO 0.43 -0.02 1.25 -0.36 -2.21 0.00 0.00 174.62 173.71 2ppb s PHE 1053N -1.47 2.16 0.00 9.09 0.40 -1.25 -4.76 117.98 122.16 2ppb s PHE 1053Ca 0.69 1.52 0.17 0.00 -0.60 0.00 0.00 56.93 58.71 2ppb s PHE 1053Cb -0.33 -3.59 0.35 0.00 0.51 0.00 0.00 43.02 39.96 2ppb s PHE 1053CO 0.39 -2.66 1.58 1.49 0.70 0.00 0.00 175.22 176.72 2ppb h GLU 1054N 0.48 0.00 -5.34 0.44 4.81 -1.95 -3.44 114.58 109.59 2ppb h GLU 1054Ca -0.50 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.12 2ppb h GLU 1054Cb 1.32 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.58 2ppb h GLU 1054CO 0.53 0.46 -0.32 0.08 -0.73 0.00 0.00 179.01 179.03 2ppb s VAL 1055N -3.25 5.27 0.89 0.32 1.01 -1.26 -5.00 120.40 118.38 2ppb s VAL 1055Ca 0.02 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2ppb s VAL 1055Cb 0.09 -3.64 0.19 0.00 0.00 0.00 0.00 36.38 33.02 2ppb s VAL 1055CO 0.72 0.31 1.21 -2.84 0.00 0.00 0.00 175.10 174.50 2ppb s PRO 1056N 1.07 0.90 -0.87 2.72 0.02 -1.26 -4.80 135.00 132.77 2ppb s PRO 1056Ca 0.15 -0.76 -0.06 0.00 0.02 0.00 0.00 61.00 60.35 2ppb s PRO 1056Cb -0.14 -2.03 0.22 0.00 0.02 0.00 0.00 34.50 32.57 2ppb s PRO 1056CO 0.06 -2.13 0.78 0.08 -0.33 0.00 0.00 177.00 175.45 2ppb s VAL 1057N -3.63 4.78 0.61 3.83 1.01 0.29 -4.93 120.40 122.35 2ppb s VAL 1057Ca 0.72 -3.36 0.27 0.00 0.00 0.00 0.00 61.98 59.62 2ppb s VAL 1057Cb -0.03 -3.96 0.36 0.00 0.00 0.00 0.00 36.38 32.75 2ppb s VAL 1057CO 0.50 -1.05 1.70 0.03 0.00 0.00 0.00 175.10 176.27 2ppb h ARG 1058N 6.65 0.00 -6.75 2.72 3.08 -1.85 -3.34 114.38 114.89 2ppb h ARG 1058Ca 0.12 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.70 2ppb h ARG 1058Cb 0.89 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.97 2ppb h ARG 1058CO 0.84 0.00 -0.05 -1.54 -1.07 0.00 0.00 179.97 178.15 2ppb s SER 1059N -4.54 5.89 0.55 7.04 1.04 -1.26 -4.85 113.70 117.56 2ppb s SER 1059Ca -0.04 0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2ppb s SER 1059Cb 0.14 -1.67 0.05 0.00 0.10 0.00 0.00 66.02 64.64 2ppb s SER 1059CO 0.48 -0.69 0.47 -0.94 0.98 0.00 0.00 173.24 173.54 2ppb s SER 1060N -4.20 4.72 0.24 7.02 1.04 -1.26 -3.18 113.70 118.08 2ppb s SER 1060Ca 0.48 -1.16 0.23 0.00 0.48 0.00 0.00 55.95 55.98 2ppb s SER 1060Cb -0.10 0.37 0.15 0.00 0.10 0.00 0.00 66.02 66.54 2ppb s SER 1060CO 0.39 -1.14 1.22 -0.26 0.98 0.00 0.00 173.24 174.44 2ppb h PHE 1061N 0.65 0.00 0.31 5.02 0.04 -0.89 -3.32 116.94 118.76 2ppb h PHE 1061Ca -0.36 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.41 2ppb h PHE 1061Cb 1.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 2ppb h PHE 1061CO 0.87 0.00 -0.28 -0.09 -0.60 0.00 0.00 178.31 178.21 2ppb h ARG 1062N 0.00 -0.58 -6.62 1.51 1.12 -1.75 -3.43 114.38 104.63 2ppb h ARG 1062Ca 0.00 0.04 -0.45 0.00 -1.11 0.00 0.00 59.98 58.46 2ppb h ARG 1062Cb 0.95 0.13 0.03 0.00 -0.01 0.00 0.00 29.97 31.06 2ppb h ARG 1062CO 0.00 -0.39 -0.15 -2.00 -3.11 0.00 0.00 179.97 174.32 2ppb s GLU 1063N -6.06 3.01 -0.45 0.20 2.12 -1.25 -4.98 118.70 111.29 2ppb s GLU 1063Ca -0.16 -0.67 -0.31 0.00 0.36 0.00 0.00 54.97 54.19 2ppb s GLU 1063Cb 0.06 -2.62 -0.10 0.00 0.26 0.00 0.00 34.13 31.73 2ppb s GLU 1063CO 0.64 -0.25 2.33 0.41 -0.54 0.00 0.00 175.26 177.85 2ppb n GLY 1064N -2.00 0.36 3.61 -1.50 0.00 -1.26 -4.42 105.19 99.98 2ppb n GLY 1064Ca 0.02 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.47 2ppb n GLY 1064CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ppb s LEU 1065N 9.12 3.61 1.20 0.99 2.96 -1.25 -4.84 118.68 130.48 2ppb s LEU 1065Ca 1.08 1.48 -0.17 0.00 -0.22 0.00 0.00 54.13 56.30 2ppb s LEU 1065Cb -0.63 -3.53 0.24 0.00 0.50 0.00 0.00 46.19 42.77 2ppb s LEU 1065CO 0.40 -1.61 0.57 1.07 -1.32 0.00 0.00 176.35 175.46 2ppb n THR 1066N 7.19 0.00 0.06 3.68 5.66 -1.26 -4.77 114.28 124.83 2ppb n THR 1066Ca 0.23 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.78 2ppb n THR 1066Cb 0.46 -0.82 -0.05 0.00 -1.55 0.00 0.00 70.33 68.37 2ppb n THR 1066CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2ppb h VAL 1067N -2.65 0.30 0.01 1.08 2.07 -2.02 -3.00 116.25 112.04 2ppb h VAL 1067Ca -0.54 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.74 2ppb h VAL 1067Cb 1.30 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2ppb h VAL 1067CO 0.40 0.00 -1.21 -0.07 0.02 0.00 0.00 177.57 176.71 2ppb h LEU 1068N -0.47 0.04 -2.34 2.57 3.38 -2.01 -3.16 115.31 113.31 2ppb h LEU 1068Ca 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ppb h LEU 1068Cb 0.56 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ppb h LEU 1068CO -0.27 1.04 -0.03 -0.33 0.09 0.00 0.00 178.44 178.93 2ppb h GLU 1069N 0.01 0.00 0.43 1.13 5.08 -1.90 -2.00 114.58 117.33 2ppb h GLU 1069Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2ppb h GLU 1069Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 2ppb h GLU 1069CO 0.12 0.03 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.03 2ppb h TYR 1070N 0.00 -0.53 -0.65 4.33 -0.00 -1.49 -2.57 116.97 116.06 2ppb h TYR 1070Ca -0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 58.73 58.89 2ppb h TYR 1070Cb 0.20 0.18 -0.03 0.00 -0.00 0.00 0.00 36.73 37.07 2ppb h TYR 1070CO 0.00 -0.24 0.46 0.35 -0.00 0.00 0.00 178.16 178.73 2ppb h PHE 1071N -1.06 0.10 -0.26 -3.82 3.04 -1.60 0.12 116.94 113.46 2ppb h PHE 1071Ca -0.06 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.75 2ppb h PHE 1071Cb 0.53 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 2ppb h PHE 1071CO 0.02 0.04 -0.44 0.82 -2.02 0.00 0.00 178.31 176.72 2ppb h ILE 1072N 0.08 1.30 0.00 1.41 1.08 -1.32 -3.01 117.51 117.06 2ppb h ILE 1072Ca 0.31 -1.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2ppb h ILE 1072Cb 1.12 1.57 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 2ppb h ILE 1072CO -0.03 0.52 -0.01 0.28 -0.69 0.00 0.00 178.15 178.22 2ppb h SER 1073N 0.53 0.00 -0.46 1.72 0.02 -0.41 -3.29 113.55 111.66 2ppb h SER 1073Ca 0.04 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2ppb h SER 1073Cb 0.98 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2ppb h SER 1073CO 0.09 0.01 -0.01 0.77 -1.14 0.00 0.00 176.83 176.55 2ppb h SER 1074N 0.00 0.86 -0.45 3.07 4.64 -1.01 -2.97 113.55 117.69 2ppb h SER 1074Ca -0.00 -0.23 0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2ppb h SER 1074Cb 0.89 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 62.67 2ppb h SER 1074CO 0.00 0.93 -0.13 0.45 -0.87 0.00 0.00 176.83 177.21 2ppb h HIS 1075N 0.82 -0.29 -0.49 4.77 3.86 -1.64 0.89 115.15 123.08 2ppb h HIS 1075Ca 0.15 0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2ppb h HIS 1075Cb 0.50 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 2ppb h HIS 1075CO 0.03 -0.21 0.10 0.78 0.86 0.00 0.00 177.93 179.49 2ppb h GLY 1076N -0.02 0.80 1.15 2.45 0.00 -1.75 -1.83 103.07 103.88 2ppb h GLY 1076Ca 0.22 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 2ppb h GLY 1076CO -0.47 0.43 -0.25 0.00 0.00 0.00 0.00 176.54 176.25 2ppb h ALA 1077N 1.39 0.69 -0.38 3.60 0.00 -1.06 0.14 119.26 123.64 2ppb h ALA 1077Ca 0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2ppb h ALA 1077Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ppb h ALA 1077CO 0.00 0.67 -0.21 -0.09 0.00 0.00 0.00 179.25 179.62 2ppb h ARG 1078N 0.82 0.74 -0.03 0.00 9.65 -0.68 0.89 114.38 125.77 2ppb h ARG 1078Ca 0.10 -0.29 -0.14 0.00 -1.10 0.00 0.00 59.98 58.55 2ppb h ARG 1078Cb 0.83 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 2ppb h ARG 1078CO 0.07 0.89 -0.63 -0.22 2.80 0.00 0.00 179.97 182.88 2ppb h LYS 1079N 0.65 0.12 0.02 0.20 3.64 -1.19 -2.07 116.57 117.94 2ppb h LYS 1079Ca 0.09 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ppb h LYS 1079Cb 0.70 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2ppb h LYS 1079CO 0.05 0.71 -0.01 0.78 -2.27 0.00 0.00 179.45 178.71 2ppb h GLY 1080N 1.67 -0.04 1.44 5.01 0.00 -0.24 1.18 103.07 112.10 2ppb h GLY 1080Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.40 2ppb h GLY 1080CO 0.09 -0.01 0.22 -1.33 0.00 0.00 0.00 176.54 175.50 2ppb h GLY 1081N -0.53 0.00 1.09 4.60 0.00 0.81 0.39 103.07 109.43 2ppb h GLY 1081Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 2ppb h GLY 1081CO 0.01 0.00 -1.64 0.00 0.00 0.00 0.00 176.54 174.91 2ppb h ALA 1082N 1.77 0.63 0.13 3.60 0.00 -0.94 -3.25 119.26 121.21 2ppb h ALA 1082Ca 0.11 -1.36 -0.31 0.00 0.00 0.00 0.00 54.91 53.35 2ppb h ALA 1082Cb 0.54 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ppb h ALA 1082CO -0.00 1.47 -1.53 -0.44 0.00 0.00 0.00 179.25 178.74 2ppb h ASP 1083N 0.02 0.41 -0.78 0.00 3.32 0.27 -3.07 116.42 116.59 2ppb h ASP 1083Ca -0.26 -0.57 -0.04 0.00 0.02 0.00 0.00 57.03 56.18 2ppb h ASP 1083Cb 1.99 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 41.37 2ppb h ASP 1083CO 0.10 1.47 0.35 0.71 -1.72 0.00 0.00 179.24 180.14 2ppb h THR 1084N 0.07 1.25 0.00 0.35 1.35 -0.47 -1.16 112.91 114.31 2ppb h THR 1084Ca -0.25 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2ppb h THR 1084Cb 2.02 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2ppb h THR 1084CO 0.17 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 175.75 2ppb h ALA 1085N 1.18 1.00 0.00 6.62 0.00 -1.66 -2.76 119.26 123.64 2ppb h ALA 1085Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 2ppb h ALA 1085Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ppb h ALA 1085CO -0.03 0.00 -1.06 1.25 0.00 0.00 0.00 179.25 179.41 2ppb h LEU 1086N 0.00 0.00 -0.61 0.00 6.46 -1.23 -3.27 115.31 116.66 2ppb h LEU 1086Ca 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 2ppb h LEU 1086Cb 0.67 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2ppb h LEU 1086CO 0.00 0.78 -0.57 0.03 -0.62 0.00 0.00 178.44 178.06 2ppb h ARG 1087N 0.00 0.37 0.24 1.25 -0.00 -1.07 -2.82 114.38 112.35 2ppb h ARG 1087Ca -0.09 -0.24 0.00 0.00 -0.50 0.00 0.00 59.98 59.16 2ppb h ARG 1087Cb 1.67 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.65 2ppb h ARG 1087CO 0.09 0.84 -0.24 1.15 0.00 0.00 0.00 179.97 181.80 2ppb h THR 1088N 0.28 0.48 0.00 2.04 2.02 -1.54 -0.64 112.91 115.55 2ppb h THR 1088Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2ppb h THR 1088Cb 1.09 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2ppb h THR 1088CO 0.10 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.54 2ppb h ALA 1089N 0.16 0.93 0.00 6.16 0.00 -1.66 -1.96 119.26 122.89 2ppb h ALA 1089Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2ppb h ALA 1089Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ppb h ALA 1089CO -0.06 0.56 -0.43 -0.44 0.00 0.00 0.00 179.25 178.89 2ppb h ASP 1090N 0.00 0.00 0.13 0.00 3.45 -1.38 -2.28 116.42 116.34 2ppb h ASP 1090Ca -0.00 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.26 2ppb h ASP 1090Cb 1.02 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.80 2ppb h ASP 1090CO 0.06 0.43 -0.88 -1.28 -1.57 0.00 0.00 179.24 176.00 2ppb h SER 1091N 0.00 0.43 -0.16 6.45 0.87 -0.91 -2.12 113.55 118.11 2ppb h SER 1091Ca -0.00 -0.94 -0.07 0.00 -1.23 0.00 0.00 61.79 59.55 2ppb h SER 1091Cb 1.12 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2ppb h SER 1091CO 0.06 1.41 -0.11 1.23 -0.53 0.00 0.00 176.83 178.89 2ppb h GLY 1092N -0.34 0.56 0.84 5.77 0.00 -1.42 -0.74 103.07 107.74 2ppb h GLY 1092Ca -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2ppb h GLY 1092CO 0.13 0.36 0.01 -1.82 0.00 0.00 0.00 176.54 175.21 2ppb h TYR 1093N 0.48 0.44 -0.54 5.60 -0.00 -1.48 0.80 116.97 122.27 2ppb h TYR 1093Ca 0.09 -0.07 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 2ppb h TYR 1093Cb 0.48 -0.12 -0.03 0.00 -0.00 0.00 0.00 36.73 37.06 2ppb h TYR 1093CO 0.02 0.56 0.36 1.25 -0.00 0.00 0.00 178.16 180.35 2ppb h LEU 1094N 0.18 0.46 -0.75 2.82 5.85 -1.12 0.85 115.31 123.59 2ppb h LEU 1094Ca 0.07 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 2ppb h LEU 1094Cb 0.38 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ppb h LEU 1094CO 0.01 0.30 -0.41 0.74 -0.34 0.00 0.00 178.44 178.74 2ppb h THR 1095N 0.52 1.31 0.02 1.05 2.02 -0.33 -3.09 112.91 114.42 2ppb h THR 1095Ca 0.23 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 2ppb h THR 1095Cb 0.25 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2ppb h THR 1095CO -0.06 0.49 -0.01 -0.09 0.37 0.00 0.00 175.52 176.21 2ppb h ARG 1096N 0.38 -0.03 0.00 6.66 2.43 0.57 -3.00 114.38 121.38 2ppb h ARG 1096Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ppb h ARG 1096Cb 0.89 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2ppb h ARG 1096CO 0.07 0.47 0.13 1.63 -1.51 0.00 0.00 179.97 180.76 2ppb n LYS 1097N -4.86 0.08 -0.04 0.20 5.02 0.15 -1.09 118.16 117.61 2ppb n LYS 1097Ca -0.09 0.54 -0.21 0.00 -2.02 0.00 0.00 58.31 56.53 2ppb n LYS 1097Cb 0.26 -1.88 -0.13 0.00 -0.02 0.00 0.00 35.03 33.26 2ppb n LYS 1097CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ppb h LEU 1098N 0.00 0.22 0.38 -0.35 4.07 -1.46 -3.37 115.31 114.79 2ppb h LEU 1098Ca 0.00 -0.74 -0.02 0.00 0.08 0.00 0.00 57.88 57.20 2ppb h LEU 1098Cb 0.25 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2ppb h LEU 1098CO 0.00 1.63 -0.18 0.58 -1.08 0.00 0.00 178.44 179.39 2ppb h VAL 1099N -0.50 0.64 -1.55 1.22 2.07 -0.97 0.55 116.25 117.70 2ppb h VAL 1099Ca -0.36 -0.16 0.49 0.00 0.82 0.00 0.00 66.70 67.49 2ppb h VAL 1099Cb 1.63 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 32.02 2ppb h VAL 1099CO -0.05 0.03 1.06 0.47 0.02 0.00 0.00 177.57 179.11 2ppb n ASP 1100N -5.27 0.11 -0.08 0.57 8.00 -0.68 -0.11 116.55 119.08 2ppb n ASP 1100Ca -0.11 1.14 -0.10 0.00 0.71 0.00 0.00 54.79 56.43 2ppb n ASP 1100Cb 0.24 -0.56 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 2ppb n ASP 1100CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2ppb n VAL 1101N -4.23 0.97 0.18 2.53 0.24 -1.11 -4.58 118.33 112.33 2ppb n VAL 1101Ca 0.40 -0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2ppb n VAL 1101Cb 1.67 -0.97 0.24 0.00 -1.47 0.00 0.00 33.84 33.31 2ppb n VAL 1101CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ppb n THR 1102N -2.85 0.60 -0.25 3.34 -2.24 0.17 -4.47 114.28 108.57 2ppb n THR 1102Ca -0.28 -0.80 -0.05 0.00 -2.27 0.00 0.00 64.05 60.65 2ppb n THR 1102Cb 0.86 0.88 0.06 0.00 -2.10 0.00 0.00 70.33 70.03 2ppb n THR 1102CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 2ppb h HIS 1103N 4.46 0.89 0.00 4.78 -0.00 -0.71 -2.43 115.15 122.14 2ppb h HIS 1103Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 2ppb h HIS 1103Cb 0.99 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 2ppb h HIS 1103CO 0.30 0.57 -0.19 1.05 -0.00 0.00 0.00 177.93 179.66 2ppb h GLU 1104N 0.96 0.00 -6.09 5.12 4.11 -1.83 -3.32 114.58 113.53 2ppb h GLU 1104Ca 0.26 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 59.11 2ppb h GLU 1104Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2ppb h GLU 1104CO -0.06 0.19 1.42 0.42 0.07 0.00 0.00 179.01 181.05 2ppb s ILE 1105N -4.57 3.04 -0.02 -1.06 -1.09 -0.92 -4.35 121.20 112.24 2ppb s ILE 1105Ca -0.04 0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 2ppb s ILE 1105Cb 0.15 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 2ppb s ILE 1105CO 0.69 -0.03 0.10 -0.69 -1.23 0.00 0.00 174.94 173.78 2ppb s VAL 1106N 7.32 0.04 -0.60 2.92 1.01 -1.26 -1.61 120.40 128.23 2ppb s VAL 1106Ca 0.96 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 2ppb s VAL 1106Cb -0.35 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2ppb s VAL 1106CO 0.36 -0.20 1.42 -0.69 0.00 0.00 0.00 175.10 175.99 2ppb s VAL 1107N -0.66 3.74 -0.19 2.92 1.01 -1.11 -2.25 120.40 123.87 2ppb s VAL 1107Ca -0.07 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 2ppb s VAL 1107Cb -0.04 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.90 2ppb s VAL 1107CO 0.00 -1.30 0.10 0.00 0.00 0.00 0.00 175.10 173.91 2ppb s ARG 1108N 5.67 0.08 0.00 2.72 3.03 -1.19 0.21 118.95 129.48 2ppb s ARG 1108Ca 0.50 -0.12 0.00 0.00 2.03 0.00 0.00 55.73 58.14 2ppb s ARG 1108Cb -0.10 -1.71 0.00 0.00 -1.03 0.00 0.00 34.95 32.11 2ppb s ARG 1108CO 0.22 -0.71 0.00 -0.85 -1.13 0.00 0.00 175.30 172.83 2ppb n GLU 1109N 5.28 0.00 -3.79 3.89 -0.00 -1.26 -4.76 120.64 120.00 2ppb n GLU 1109Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 56.97 2ppb n GLU 1109Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.81 2ppb n GLU 1109CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ppb s ALA 1110N -1.00 -0.60 -0.62 -1.84 0.00 -1.26 -5.00 121.76 111.44 2ppb s ALA 1110Ca 0.00 0.62 -0.34 0.00 0.00 0.00 0.00 51.96 52.24 2ppb s ALA 1110Cb 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 23.12 22.62 2ppb s ALA 1110CO 0.00 -0.13 2.39 -0.40 0.00 0.00 0.00 175.76 177.62 2ppb n ASP 1111N 2.75 1.28 -4.65 0.00 3.85 -1.26 -4.74 116.55 113.78 2ppb n ASP 1111Ca -0.14 0.22 -0.49 0.00 -0.71 0.00 0.00 54.79 53.67 2ppb n ASP 1111Cb 0.58 -1.14 -0.05 0.00 -1.35 0.00 0.00 41.12 39.16 2ppb n ASP 1111CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ppb n GLY 1113N 3.32 -1.05 3.59 0.00 0.00 -1.26 -4.73 105.19 105.07 2ppb n GLY 1113Ca 0.19 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2ppb n GLY 1113CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ppb s THR 1114N -2.52 4.45 -0.44 2.61 -1.32 -1.26 -4.96 115.64 112.20 2ppb s THR 1114Ca 0.24 1.09 -0.09 0.00 -1.21 0.00 0.00 61.69 61.72 2ppb s THR 1114Cb 0.16 -4.44 0.10 0.00 -1.51 0.00 0.00 72.50 66.81 2ppb s THR 1114CO 0.36 -0.74 0.29 -0.89 -2.21 0.00 0.00 174.62 171.42 2ppb s THR 1115N 3.81 4.15 -0.29 5.08 2.01 -1.26 -4.84 115.64 124.29 2ppb s THR 1115Ca 0.41 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.79 2ppb s THR 1115Cb -0.10 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.86 2ppb s THR 1115CO 0.24 -0.63 0.07 0.20 -0.69 0.00 0.00 174.62 173.81 2ppb s ASN 1116N 2.33 3.93 0.28 3.53 0.01 -1.26 -5.15 114.94 118.61 2ppb s ASN 1116Ca 0.04 -1.53 0.09 0.00 -0.71 0.00 0.00 52.86 50.76 2ppb s ASN 1116Cb -0.24 -0.93 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 2ppb s ASN 1116CO 0.00 -0.38 0.01 -0.72 -1.51 0.00 0.00 177.10 174.51 2ppb s TYR 1117N 1.56 2.68 -0.05 2.20 -0.85 -1.26 -4.72 117.35 116.91 2ppb s TYR 1117Ca 0.07 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.33 2ppb s TYR 1117Cb -0.18 -1.25 -0.04 0.00 0.38 0.00 0.00 41.96 40.87 2ppb s TYR 1117CO -0.19 0.59 0.12 0.42 -1.52 0.00 0.00 175.55 174.96 2ppb s ILE 1118N -2.35 5.13 -0.36 -3.49 -1.09 -0.87 -4.89 121.20 113.28 2ppb s ILE 1118Ca 0.32 -0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 2ppb s ILE 1118Cb -0.06 -3.30 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 2ppb s ILE 1118CO 0.20 0.46 0.23 -0.94 -1.23 0.00 0.00 174.94 173.66 2ppb s SER 1119N -1.46 5.89 -0.16 3.58 1.04 -1.26 -1.79 113.70 119.55 2ppb s SER 1119Ca 0.20 -0.71 -0.28 0.00 0.48 0.00 0.00 55.95 55.64 2ppb s SER 1119Cb -0.12 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 2ppb s SER 1119CO 0.11 -0.32 0.98 -0.69 0.98 0.00 0.00 173.24 174.29 2ppb s VAL 1120N 1.65 4.78 0.29 5.02 1.01 -0.68 -4.68 120.40 127.79 2ppb s VAL 1120Ca 0.04 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 2ppb s VAL 1120Cb -0.18 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.83 2ppb s VAL 1120CO 0.09 -0.04 1.07 -2.84 0.00 0.00 0.00 175.10 173.37 2ppb s PRO 1121N 2.38 4.59 -0.02 2.72 0.02 -1.26 -2.14 135.00 141.29 2ppb s PRO 1121Ca 0.45 1.70 0.17 0.00 0.02 0.00 0.00 61.00 63.34 2ppb s PRO 1121Cb -0.17 -3.09 -0.25 0.00 0.02 0.00 0.00 34.50 31.01 2ppb s PRO 1121CO 0.13 0.20 0.37 1.28 -0.33 0.00 0.00 177.00 178.66 2ppb n LEU 1122N 1.02 0.02 -4.34 -5.54 7.99 -1.16 -4.93 117.00 110.06 2ppb n LEU 1122Ca -0.00 -0.02 -0.30 0.00 -0.01 0.00 0.00 56.01 55.68 2ppb n LEU 1122Cb 0.46 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.62 2ppb n LEU 1122CO 0.52 0.01 -0.57 -0.36 -1.51 0.00 0.00 177.39 175.47 2ppb s PHE 1123N -3.13 2.32 -0.11 -1.77 0.08 -1.26 -0.25 117.98 113.86 2ppb s PHE 1123Ca -0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.60 2ppb s PHE 1123Cb 0.11 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.16 2ppb s PHE 1123CO 0.69 0.13 -0.17 -0.65 -0.10 0.00 0.00 175.22 175.11 2ppb s GLN 1124N -1.24 3.20 0.00 0.44 -0.21 -0.86 -4.86 119.66 116.12 2ppb s GLN 1124Ca 0.12 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2ppb s GLN 1124Cb -0.10 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.42 2ppb s GLN 1124CO 0.02 0.23 0.61 -2.30 -2.12 0.00 0.00 175.29 171.73 2ppb n PRO 1125N 3.44 0.00 -3.85 2.91 -0.02 -1.26 -3.48 135.00 132.74 2ppb n PRO 1125Ca -0.18 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.29 2ppb n PRO 1125Cb 0.53 -1.11 -0.12 0.00 -0.02 0.00 0.00 33.50 32.78 2ppb n PRO 1125CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2ppb s ASP 1126N -2.45 4.89 -0.25 2.55 -1.08 -1.26 -3.41 116.67 115.65 2ppb s ASP 1126Ca 0.00 -2.63 -0.09 0.00 -0.52 0.00 0.00 52.55 49.30 2ppb s ASP 1126Cb 0.00 -1.75 -0.12 0.00 -1.46 0.00 0.00 42.92 39.59 2ppb s ASP 1126CO 0.00 -0.36 -0.30 1.21 0.52 0.00 0.00 175.17 176.24 2ppb n GLU 1127N 3.71 0.54 -4.38 4.34 0.00 -1.26 -4.87 120.64 118.71 2ppb n GLU 1127Ca 0.04 0.21 -0.34 0.00 0.00 0.00 0.00 57.16 57.08 2ppb n GLU 1127Cb 0.37 -1.41 -0.12 0.00 0.00 0.00 0.00 31.44 30.29 2ppb n GLU 1127CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ppb s VAL 1128N -2.46 4.00 0.00 6.31 1.01 -1.26 -5.07 120.40 122.93 2ppb s VAL 1128Ca -0.34 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2ppb s VAL 1128Cb 0.12 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2ppb s VAL 1128CO 0.46 0.51 0.00 1.07 0.00 0.00 0.00 175.10 177.15 2ppb n THR 1129N 3.28 0.00 -3.74 3.92 5.66 -1.26 -3.69 114.28 118.45 2ppb n THR 1129Ca -0.17 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.54 2ppb n THR 1129Cb 0.53 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.15 2ppb n THR 1129CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2ppb s ARG 1130N -0.01 0.72 -0.17 1.09 3.00 -1.26 -4.18 118.95 118.13 2ppb s ARG 1130Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 55.73 55.03 2ppb s ARG 1130Cb 0.00 -2.07 0.08 0.00 0.00 0.00 0.00 34.95 32.96 2ppb s ARG 1130CO 0.00 -0.75 0.35 -1.54 0.00 0.00 0.00 175.30 173.36 2ppb s SER 1131N 1.77 0.08 0.17 0.23 1.04 -1.22 -5.10 113.70 110.67 2ppb s SER 1131Ca 0.02 0.74 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 2ppb s SER 1131Cb -0.17 1.04 -0.08 0.00 0.10 0.00 0.00 66.02 66.91 2ppb s SER 1131CO -0.14 -0.24 1.23 -0.76 0.98 0.00 0.00 173.24 174.31 2ppb s LEU 1132N 2.52 4.43 0.04 2.42 1.02 -1.26 -4.67 118.68 123.18 2ppb s LEU 1132Ca 0.01 2.25 0.01 0.00 0.02 0.00 0.00 54.13 56.42 2ppb s LEU 1132Cb -0.12 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 2ppb s LEU 1132CO -0.11 -0.43 -0.05 -0.13 0.02 0.00 0.00 176.35 175.65 2ppb s ARG 1133N -0.01 0.49 -0.11 1.70 0.52 -1.23 -5.02 118.95 115.30 2ppb s ARG 1133Ca 0.55 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 2ppb s ARG 1133Cb -0.33 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.05 2ppb s ARG 1133CO 0.36 -0.02 1.33 -1.17 0.02 0.00 0.00 175.30 175.82 2ppb s LEU 1134N -1.87 4.24 0.87 2.53 2.96 -1.26 -2.03 118.68 124.12 2ppb s LEU 1134Ca -0.08 1.86 -0.13 0.00 -0.22 0.00 0.00 54.13 55.56 2ppb s LEU 1134Cb -0.06 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.14 2ppb s LEU 1134CO -0.02 -0.75 0.74 -1.14 -1.32 0.00 0.00 176.35 173.85 2ppb n ARG 1135N 6.29 -0.09 -1.61 1.98 0.63 0.66 -4.87 116.66 119.65 2ppb n ARG 1135Ca 0.14 0.03 -0.37 0.00 -0.92 0.00 0.00 57.85 56.74 2ppb n ARG 1135Cb 0.45 -2.07 0.07 0.00 0.45 0.00 0.00 32.46 31.36 2ppb n ARG 1135CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2ppb n LYS 1136N -2.28 0.92 -0.34 -0.14 5.02 -1.26 -4.88 118.16 115.19 2ppb n LYS 1136Ca 0.10 0.37 -0.02 0.00 -2.02 0.00 0.00 58.31 56.74 2ppb n LYS 1136Cb 0.52 -2.44 0.11 0.00 -0.02 0.00 0.00 35.03 33.20 2ppb n LYS 1136CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2ppb h ARG 1137N 0.29 1.19 0.74 1.97 2.43 -1.99 -2.97 114.38 116.04 2ppb h ARG 1137Ca -0.50 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.56 2ppb h ARG 1137Cb 1.34 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2ppb h ARG 1137CO 0.51 0.79 -0.36 0.00 -1.51 0.00 0.00 179.97 179.40 2ppb h ALA 1138N 1.35 -1.00 -0.64 2.80 0.00 -1.99 -2.62 119.26 117.16 2ppb h ALA 1138Ca 0.35 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2ppb h ALA 1138Cb -0.09 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2ppb h ALA 1138CO -0.09 -0.96 -0.40 -0.44 0.00 0.00 0.00 179.25 177.35 2ppb h ASP 1139N -1.19 -1.40 -0.80 0.00 5.19 -1.93 0.41 116.42 116.70 2ppb h ASP 1139Ca -0.10 0.25 0.07 0.00 -0.62 0.00 0.00 57.03 56.63 2ppb h ASP 1139Cb 0.78 0.66 -0.05 0.00 0.18 0.00 0.00 39.33 40.90 2ppb h ASP 1139CO 0.17 -0.32 0.52 0.40 -3.12 0.00 0.00 179.24 176.89 2ppb h ILE 1140N -0.18 1.01 -0.73 0.35 2.04 -1.60 -0.33 117.51 118.07 2ppb h ILE 1140Ca 0.21 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 2ppb h ILE 1140Cb 0.56 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2ppb h ILE 1140CO -0.72 0.15 0.20 -0.33 0.00 0.00 0.00 178.15 177.45 2ppb h GLU 1141N 0.82 1.16 -0.87 2.37 5.08 0.11 -1.90 114.58 121.34 2ppb h GLU 1141Ca 0.35 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2ppb h GLU 1141Cb 0.30 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2ppb h GLU 1141CO -0.13 1.00 0.57 0.00 -1.00 0.00 0.00 179.01 179.45 2ppb h ALA 1142N 1.10 1.49 0.22 3.43 0.00 0.72 -0.42 119.26 125.79 2ppb h ALA 1142Ca 0.23 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.78 2ppb h ALA 1142Cb 0.35 -0.29 0.04 0.00 0.00 0.00 0.00 17.79 17.88 2ppb h ALA 1142CO -0.00 0.41 -1.41 0.78 0.00 0.00 0.00 179.25 179.03 2ppb h GLY 1143N 1.05 0.64 -0.58 0.00 0.00 -0.86 -3.34 103.07 99.98 2ppb h GLY 1143Ca 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 47.33 46.14 2ppb h GLY 1143CO -0.12 1.35 -0.28 1.04 0.00 0.00 0.00 176.54 178.54 2ppb n LEU 1144N -3.73 1.40 -4.77 3.11 4.77 -0.75 -4.90 117.00 112.12 2ppb n LEU 1144Ca -0.16 -0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 2ppb n LEU 1144Cb 1.07 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.16 2ppb n LEU 1144CO 0.60 0.27 1.19 -0.47 -1.33 0.00 0.00 177.39 177.65 2ppb s TYR 1145N -1.64 2.61 -1.73 -1.77 6.14 -0.17 -3.12 117.35 117.67 2ppb s TYR 1145Ca 0.11 1.02 -0.16 0.00 0.64 0.00 0.00 57.07 58.67 2ppb s TYR 1145Cb 0.10 -4.06 0.15 0.00 0.42 0.00 0.00 41.96 38.58 2ppb s TYR 1145CO 0.33 -3.28 0.54 0.41 0.64 0.00 0.00 175.55 174.20 2ppb n GLY 1146N 1.02 -0.35 3.96 8.97 0.00 0.58 -4.95 105.19 114.42 2ppb n GLY 1146Ca 0.03 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2ppb n GLY 1146CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ppb s ARG 1147N -7.11 2.37 -0.19 1.61 1.81 -1.18 -2.63 118.95 113.62 2ppb s ARG 1147Ca 0.59 -1.73 -0.01 0.00 -1.72 0.00 0.00 55.73 52.86 2ppb s ARG 1147Cb -0.34 -2.42 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2ppb s ARG 1147CO 0.98 -0.62 -0.13 0.08 -0.68 0.00 0.00 175.30 174.93 2ppb s VAL 1148N -2.65 2.70 0.13 3.52 1.01 -1.26 -1.51 120.40 122.34 2ppb s VAL 1148Ca 0.49 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 2ppb s VAL 1148Cb -0.04 -2.18 -0.11 0.00 0.00 0.00 0.00 36.38 34.04 2ppb s VAL 1148CO 0.30 0.49 1.83 0.18 0.00 0.00 0.00 175.10 177.90 2ppb n LEU 1149N 4.61 4.02 0.11 3.92 4.77 -1.04 -1.36 117.00 132.03 2ppb n LEU 1149Ca -0.20 0.99 -0.03 0.00 -0.03 0.00 0.00 56.01 56.75 2ppb n LEU 1149Cb 0.51 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.12 2ppb n LEU 1149CO 0.28 0.17 0.37 0.00 -1.33 0.00 0.00 177.39 176.87 2ppb h ALA 1150N 8.39 0.75 -2.38 -1.18 0.00 -1.71 0.60 119.26 123.73 2ppb h ALA 1150Ca -0.46 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 53.64 2ppb h ALA 1150Cb 1.22 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2ppb h ALA 1150CO 0.95 0.93 -0.57 1.03 0.00 0.00 0.00 179.25 181.59 2ppb s ARG 1151N -3.28 0.79 0.20 0.00 1.81 -1.26 -4.73 118.95 112.47 2ppb s ARG 1151Ca -0.00 -1.21 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 2ppb s ARG 1151Cb 0.12 0.26 -0.08 0.00 -0.45 0.00 0.00 34.95 34.79 2ppb s ARG 1151CO 0.78 -0.21 1.22 -2.00 -0.68 0.00 0.00 175.30 174.41 2ppb s GLU 1152N -3.94 4.47 -0.06 3.54 2.12 -1.26 -4.53 118.70 119.04 2ppb s GLU 1152Ca 0.12 1.92 -0.01 0.00 0.36 0.00 0.00 54.97 57.36 2ppb s GLU 1152Cb 0.07 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.26 2ppb s GLU 1152CO -0.06 -0.11 0.01 0.08 -0.54 0.00 0.00 175.26 174.64 2ppb s VAL 1153N -0.12 0.24 -0.30 3.70 1.01 0.12 -4.96 120.40 120.08 2ppb s VAL 1153Ca 0.53 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 2ppb s VAL 1153Cb -0.34 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2ppb s VAL 1153CO 0.38 0.22 0.25 -1.61 0.00 0.00 0.00 175.10 174.34 2ppb s GLU 1154N 1.80 3.80 0.00 2.72 2.02 -1.26 -1.64 118.70 126.13 2ppb s GLU 1154Ca 0.02 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2ppb s GLU 1154Cb -0.13 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.39 2ppb s GLU 1154CO -0.04 -0.30 0.00 0.28 0.02 0.00 0.00 175.26 175.22 2ppb n VAL 1155N 5.10 0.00 0.42 2.63 0.31 -1.23 -4.91 118.33 120.66 2ppb n VAL 1155Ca -0.12 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2ppb n VAL 1155Cb 0.51 -0.09 0.30 0.00 -0.91 0.00 0.00 33.84 33.65 2ppb n VAL 1155CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ppb h LEU 1156N 0.00 0.00 0.00 7.52 6.46 -1.95 -3.46 115.31 123.88 2ppb h LEU 1156Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2ppb h LEU 1156Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2ppb h LEU 1156CO 0.00 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.43 2ppb n GLY 1157N 1.17 1.04 3.83 3.75 0.00 -1.26 -5.14 105.19 108.58 2ppb n GLY 1157Ca 0.05 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2ppb n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 1158N 0.00 4.17 -0.56 1.61 1.01 -1.26 -5.02 120.40 120.35 2ppb s VAL 1158Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2ppb s VAL 1158Cb 0.00 -3.50 0.15 0.00 0.00 0.00 0.00 36.38 33.02 2ppb s VAL 1158CO 0.00 -0.91 0.43 -0.60 0.00 0.00 0.00 175.10 174.02 2ppb s ARG 1159N -5.04 2.67 -0.37 2.72 3.52 -1.26 -3.51 118.95 117.68 2ppb s ARG 1159Ca 0.58 -2.06 -0.29 0.00 -0.13 0.00 0.00 55.73 53.83 2ppb s ARG 1159Cb -0.13 -3.96 -0.00 0.00 -1.56 0.00 0.00 34.95 29.30 2ppb s ARG 1159CO 0.54 -1.20 1.59 -1.17 -0.81 0.00 0.00 175.30 174.25 2ppb s LEU 1160N 0.83 3.55 0.87 -0.88 0.20 -0.65 -4.96 118.68 117.63 2ppb s LEU 1160Ca 0.10 1.06 -0.12 0.00 0.69 0.00 0.00 54.13 55.87 2ppb s LEU 1160Cb -0.22 -3.53 0.11 0.00 -0.43 0.00 0.00 46.19 42.12 2ppb s LEU 1160CO -0.03 -1.56 1.10 -1.83 -0.29 0.00 0.00 176.35 173.75 2ppb s GLU 1161N 5.26 1.49 0.59 1.98 1.03 -1.26 -0.71 118.70 127.08 2ppb s GLU 1161Ca 0.70 0.65 -0.16 0.00 0.03 0.00 0.00 54.97 56.19 2ppb s GLU 1161Cb -0.18 -1.85 -0.04 0.00 -0.80 0.00 0.00 34.13 31.26 2ppb s GLU 1161CO 0.33 -2.04 1.05 -2.00 -1.33 0.00 0.00 175.26 171.27 2ppb s GLU 1162N -5.07 3.38 0.00 -4.83 -6.30 -1.26 -3.55 118.70 101.07 2ppb s GLU 1162Ca 0.63 1.17 0.00 0.00 -2.50 0.00 0.00 54.97 54.27 2ppb s GLU 1162Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 34.13 31.93 2ppb s GLU 1162CO 0.55 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2ppb n GLY 1163N -1.07 1.09 3.73 -1.50 0.00 0.21 -4.90 105.19 102.74 2ppb n GLY 1163Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ppb n GLY 1163CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ppb s ARG 1164N 0.00 4.21 -0.42 1.61 3.52 -1.23 -4.45 118.95 122.19 2ppb s ARG 1164Ca 0.00 2.39 -0.29 0.00 -0.13 0.00 0.00 55.73 57.70 2ppb s ARG 1164Cb 0.00 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 2ppb s ARG 1164CO 0.00 -0.59 1.18 0.71 -0.81 0.00 0.00 175.30 175.80 2ppb s TYR 1165N 0.85 2.80 -0.11 5.12 1.51 -1.25 -2.51 117.35 123.76 2ppb s TYR 1165Ca 0.68 0.81 -0.30 0.00 -1.01 0.00 0.00 57.07 57.25 2ppb s TYR 1165Cb -0.44 -4.24 -0.02 0.00 -0.11 0.00 0.00 41.96 37.14 2ppb s TYR 1165CO 0.35 -1.33 1.28 -0.48 -1.11 0.00 0.00 175.55 174.26 2ppb s LEU 1166N 4.46 4.23 0.84 -1.29 2.34 -0.57 -4.87 118.68 123.82 2ppb s LEU 1166Ca 0.50 1.79 -0.12 0.00 0.06 0.00 0.00 54.13 56.37 2ppb s LEU 1166Cb -0.10 -3.55 0.10 0.00 -0.56 0.00 0.00 46.19 42.08 2ppb s LEU 1166CO 0.28 -0.72 1.13 -0.94 -1.06 0.00 0.00 176.35 175.04 2ppb s SER 1167N 1.91 4.12 0.49 1.48 1.04 -1.26 -0.31 113.70 121.17 2ppb s SER 1167Ca 0.57 1.05 0.20 0.00 0.48 0.00 0.00 55.95 58.24 2ppb s SER 1167Cb -0.24 -1.67 1.24 0.00 0.10 0.00 0.00 66.02 65.45 2ppb s SER 1167CO 0.19 -2.18 2.01 -0.03 0.98 0.00 0.00 173.24 174.21 2ppb h MET 1168N -1.24 0.15 0.00 4.02 4.05 -1.95 0.24 114.93 120.20 2ppb h MET 1168Ca -0.48 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 58.84 2ppb h MET 1168Cb 1.31 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.06 2ppb h MET 1168CO 0.62 0.10 -0.40 0.22 0.23 0.00 0.00 176.91 177.68 2ppb h ASP 1169N 0.15 0.00 -0.06 1.39 1.82 -1.99 -1.63 116.42 116.11 2ppb h ASP 1169Ca 0.23 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.70 2ppb h ASP 1169Cb 0.70 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.72 2ppb h ASP 1169CO -0.03 0.40 -0.64 0.44 -1.61 0.00 0.00 179.24 177.80 2ppb h ASP 1170N 0.00 0.67 0.29 2.28 3.45 -0.93 -2.21 116.42 119.98 2ppb h ASP 1170Ca -0.00 -0.69 0.00 0.00 0.43 0.00 0.00 57.03 56.77 2ppb h ASP 1170Cb 0.85 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 2ppb h ASP 1170CO 0.05 1.26 0.00 0.58 -1.57 0.00 0.00 179.24 179.56 2ppb h VAL 1171N 0.13 0.00 0.13 -1.35 2.07 -0.98 0.23 116.25 116.49 2ppb h VAL 1171Ca -0.06 -0.10 -0.29 0.00 0.82 0.00 0.00 66.70 67.06 2ppb h VAL 1171Cb 1.30 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2ppb h VAL 1171CO 0.13 0.00 -1.39 0.45 0.02 0.00 0.00 177.57 176.78 2ppb h HIS 1172N 0.00 0.52 0.07 1.57 3.86 -0.93 -3.25 115.15 116.98 2ppb h HIS 1172Ca 0.00 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2ppb h HIS 1172Cb 0.15 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2ppb h HIS 1172CO 0.00 1.35 -0.04 1.25 0.86 0.00 0.00 177.93 181.35 2ppb h LEU 1173N 0.08 -0.08 -0.67 2.43 5.85 0.03 -2.66 115.31 120.28 2ppb h LEU 1173Ca -0.19 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.39 2ppb h LEU 1173Cb 2.01 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 43.00 2ppb h LEU 1173CO 0.19 0.17 0.34 -0.07 -0.34 0.00 0.00 178.44 178.74 2ppb h LEU 1174N -0.34 0.47 0.37 2.25 3.38 -1.46 0.04 115.31 120.02 2ppb h LEU 1174Ca -0.01 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ppb h LEU 1174Cb 0.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2ppb h LEU 1174CO 0.02 0.29 -0.33 0.40 0.09 0.00 0.00 178.44 178.91 2ppb h ILE 1175N 0.61 0.32 -0.89 1.22 2.04 -1.58 0.15 117.51 119.38 2ppb h ILE 1175Ca 0.32 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.36 2ppb h ILE 1175Cb 0.28 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2ppb h ILE 1175CO -0.23 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.00 2ppb h LYS 1176N -0.71 0.47 -0.13 2.37 3.64 -1.07 0.17 116.57 121.30 2ppb h LYS 1176Ca -0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2ppb h LYS 1176Cb 0.63 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2ppb h LYS 1176CO -0.04 0.31 -0.16 0.00 -2.27 0.00 0.00 179.45 177.29 2ppb h ALA 1177N 1.61 0.20 -0.75 5.00 0.00 -0.38 -2.58 119.26 122.37 2ppb h ALA 1177Ca 0.46 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2ppb h ALA 1177Cb 1.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2ppb h ALA 1177CO -0.19 0.09 0.49 0.00 0.00 0.00 0.00 179.25 179.65 2ppb h ALA 1178N 0.58 1.81 -0.16 0.00 0.00 0.16 0.38 119.26 122.04 2ppb h ALA 1178Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2ppb h ALA 1178Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2ppb h ALA 1178CO 0.04 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 180.24 2ppb h GLU 1179N 0.66 0.04 0.00 0.00 5.08 -0.65 -0.53 114.58 119.19 2ppb h GLU 1179Ca 0.34 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2ppb h GLU 1179Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ppb h GLU 1179CO -0.12 0.03 -0.21 0.00 -1.00 0.00 0.00 179.01 177.70 2ppb h ALA 1180N 1.14 1.22 -1.03 3.43 0.00 -0.61 -3.47 119.26 119.94 2ppb h ALA 1180Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ppb h ALA 1180Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ppb h ALA 1180CO -0.14 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2ppb n GLY 1181N -0.39 0.78 0.00 0.00 0.00 0.12 -5.05 105.19 100.65 2ppb n GLY 1181Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2ppb n GLY 1181CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ppb n GLU 1182N -0.52 5.88 -3.67 1.61 1.02 -1.06 -4.99 120.64 118.91 2ppb n GLU 1182Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2ppb n GLU 1182Cb 0.19 -0.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.95 2ppb n GLU 1182CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2ppb s ILE 1183N -1.12 -0.33 -0.06 -3.67 -5.25 -1.26 -5.00 121.20 104.51 2ppb s ILE 1183Ca 0.00 0.13 0.19 0.00 -0.99 0.00 0.00 60.65 59.97 2ppb s ILE 1183Cb 0.00 -0.66 -0.28 0.00 2.95 0.00 0.00 42.46 44.47 2ppb s ILE 1183CO 0.00 0.05 0.35 0.00 -1.79 0.00 0.00 174.94 173.55 2ppb n GLN 1184N 4.82 0.69 -4.30 0.37 6.02 -1.26 -4.56 117.38 119.17 2ppb n GLN 1184Ca -0.16 -0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 56.47 2ppb n GLN 1184Cb 0.52 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 2ppb n GLN 1184CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ppb n GLU 1185N -2.27 0.48 -3.66 -1.09 -0.58 -1.26 -2.97 120.64 109.28 2ppb n GLU 1185Ca -0.09 -3.37 -0.11 0.00 -0.42 0.00 0.00 57.16 53.18 2ppb n GLU 1185Cb 0.63 2.34 -0.11 0.00 -0.57 0.00 0.00 31.44 33.72 2ppb n GLU 1185CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ppb s VAL 1186N -3.23 -0.51 0.02 2.62 1.01 -0.91 -4.87 120.40 114.54 2ppb s VAL 1186Ca 0.31 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2ppb s VAL 1186Cb 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2ppb s VAL 1186CO 0.22 0.09 1.17 -2.16 0.00 0.00 0.00 175.10 174.42 2ppb s PRO 1187N 2.44 4.43 -0.07 2.72 0.04 -1.26 -1.68 135.00 141.61 2ppb s PRO 1187Ca -0.01 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.45 2ppb s PRO 1187Cb -0.12 -3.42 0.06 0.00 0.04 0.00 0.00 34.50 31.07 2ppb s PRO 1187CO -0.11 -0.28 0.64 0.54 0.04 0.00 0.00 177.00 177.83 2ppb s VAL 1188N 1.35 0.01 0.48 -0.36 0.11 -0.74 -2.15 120.40 119.10 2ppb s VAL 1188Ca 0.57 -0.05 -0.20 0.00 -2.93 0.00 0.00 61.98 59.37 2ppb s VAL 1188Cb -0.27 -0.95 -0.09 0.00 -1.53 0.00 0.00 36.38 33.54 2ppb s VAL 1188CO 0.27 -0.03 1.01 -0.13 -3.33 0.00 0.00 175.10 172.90 2ppb s ARG 1189N -0.99 3.89 -0.14 1.54 1.81 -0.46 -2.05 118.95 122.55 2ppb s ARG 1189Ca -0.10 1.26 -0.30 0.00 -1.72 0.00 0.00 55.73 54.87 2ppb s ARG 1189Cb -0.01 -2.12 0.10 0.00 -0.45 0.00 0.00 34.95 32.47 2ppb s ARG 1189CO 0.08 -0.34 0.86 0.45 -0.68 0.00 0.00 175.30 175.67 2ppb s SER 1190N -2.17 -0.52 0.60 0.23 0.15 -1.24 -4.65 113.70 106.09 2ppb s SER 1190Ca 0.65 0.65 0.29 0.00 0.70 0.00 0.00 55.95 58.23 2ppb s SER 1190Cb -0.14 0.53 1.58 0.00 -1.71 0.00 0.00 66.02 66.28 2ppb s SER 1190CO 0.20 -0.42 1.87 -0.65 1.20 0.00 0.00 173.24 175.44 2ppb h PRO 1191N 3.06 0.00 0.00 5.44 0.11 -1.92 -1.14 132.00 137.55 2ppb h PRO 1191Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2ppb h PRO 1191Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ppb h PRO 1191CO 0.30 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.37 2ppb n LEU 1192N -2.75 0.32 -1.29 2.35 4.77 -1.26 -3.01 117.00 116.13 2ppb n LEU 1192Ca -0.02 0.60 0.04 0.00 -0.03 0.00 0.00 56.01 56.60 2ppb n LEU 1192Cb 0.31 -0.59 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2ppb n LEU 1192CO 0.13 -0.53 0.12 0.35 -1.33 0.00 0.00 177.39 176.12 2ppb n THR 1193N -1.88 0.25 -2.08 -5.08 -2.24 -0.43 -5.02 114.28 97.80 2ppb n THR 1193Ca 0.01 -1.15 -0.32 0.00 -2.27 0.00 0.00 64.05 60.33 2ppb n THR 1193Cb 0.13 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 2ppb n THR 1193CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ppb n GLN 1195N -2.14 0.70 -1.51 0.00 0.00 -1.26 -4.86 117.38 108.32 2ppb n GLN 1195Ca 0.07 0.20 -0.46 0.00 -0.00 0.00 0.00 57.00 56.82 2ppb n GLN 1195Cb 0.54 -1.63 -0.06 0.00 0.00 0.00 0.00 30.24 29.09 2ppb n GLN 1195CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2ppb n THR 1196N -3.31 0.17 -0.01 1.69 -1.04 -1.26 -4.85 114.28 105.67 2ppb n THR 1196Ca -0.37 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.05 61.20 2ppb n THR 1196Cb 1.03 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 67.50 2ppb n THR 1196CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 2ppb h ARG 1197N 14.28 -0.20 -4.16 -2.82 0.11 -1.99 -3.32 114.38 116.28 2ppb h ARG 1197Ca -0.29 0.01 -0.73 0.00 0.10 0.00 0.00 59.98 59.07 2ppb h ARG 1197Cb 1.29 0.05 -0.29 0.00 1.11 0.00 0.00 29.97 32.13 2ppb h ARG 1197CO 1.05 -0.13 -0.32 0.71 0.10 0.00 0.00 179.97 181.38 2ppb s TYR 1198N -4.03 3.44 0.00 4.08 4.12 -1.26 -4.97 117.35 118.73 2ppb s TYR 1198Ca -0.06 -1.88 0.00 0.00 0.02 0.00 0.00 57.07 55.15 2ppb s TYR 1198Cb 0.03 -3.55 0.00 0.00 -1.52 0.00 0.00 41.96 36.92 2ppb s TYR 1198CO 0.23 -0.98 0.00 0.41 0.02 0.00 0.00 175.55 175.23 2ppb n GLY 1199N 4.73 2.82 3.20 0.71 0.00 -1.25 -4.74 105.19 110.66 2ppb n GLY 1199Ca -0.05 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 2ppb n GLY 1199CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 1200N -2.06 0.85 0.55 1.61 1.01 -0.95 -4.53 120.40 116.87 2ppb s VAL 1200Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 61.98 60.08 2ppb s VAL 1200Cb 0.00 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.71 2ppb s VAL 1200CO 0.00 -0.83 0.76 0.00 0.00 0.00 0.00 175.10 175.03 2ppb h GLN 1202N 0.20 0.42 0.00 0.00 4.15 -1.90 -1.83 115.11 116.16 2ppb h GLN 1202Ca -0.34 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 58.86 2ppb h GLN 1202Cb 1.28 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 2ppb h GLN 1202CO 0.42 0.55 -0.51 0.87 -1.93 0.00 0.00 178.83 178.24 2ppb h LYS 1203N 0.23 0.00 0.13 1.69 1.57 -1.94 -2.90 116.57 115.35 2ppb h LYS 1203Ca 0.08 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 2ppb h LYS 1203Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2ppb h LYS 1203CO 0.01 0.51 -1.59 0.00 -0.57 0.00 0.00 179.45 177.80 2ppb n TYR 1205N -3.47 0.00 0.00 0.00 9.36 -0.69 -3.63 117.16 118.73 2ppb n TYR 1205Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 2ppb n TYR 1205Cb 1.05 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 39.34 2ppb n TYR 1205CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ppb n GLY 1206N -0.22 0.51 0.00 2.98 0.00 -1.10 -4.91 105.19 102.46 2ppb n GLY 1206Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2ppb n GLY 1206CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ppb n TYR 1207N 0.00 0.00 -1.51 1.61 0.53 -1.08 -1.78 117.16 114.93 2ppb n TYR 1207Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 2ppb n TYR 1207Cb 0.00 -0.06 -0.10 0.00 -1.03 0.00 0.00 39.34 38.15 2ppb n TYR 1207CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 2ppb n ASP 1208N -1.41 1.10 -3.60 7.72 2.03 -1.26 -1.68 116.55 119.45 2ppb n ASP 1208Ca 0.00 -0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.12 2ppb n ASP 1208Cb 0.00 -1.18 0.03 0.00 -0.72 0.00 0.00 41.12 39.25 2ppb n ASP 1208CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ppb n LEU 1209N 12.51 0.00 0.32 -2.67 0.00 -1.26 -4.87 117.00 121.03 2ppb n LEU 1209Ca 0.54 -1.43 0.22 0.00 0.00 0.00 0.00 56.01 55.35 2ppb n LEU 1209Cb 0.23 -0.18 1.13 0.00 0.00 0.00 0.00 43.42 44.60 2ppb n LEU 1209CO 0.85 -0.57 1.15 0.28 0.00 0.00 0.00 177.39 179.10 2ppb h SER 1210N 0.13 0.00 -3.19 1.96 0.02 -1.92 -3.42 113.55 107.13 2ppb h SER 1210Ca -0.16 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.30 2ppb h SER 1210Cb 0.69 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.24 2ppb h SER 1210CO 0.24 0.00 -0.07 -0.32 -1.14 0.00 0.00 176.83 175.54 2ppb s MET 1211N -4.06 3.55 0.00 3.45 0.00 -1.26 -4.37 119.30 116.62 2ppb s MET 1211Ca -0.04 -0.04 0.30 0.00 0.00 0.00 0.00 55.69 55.91 2ppb s MET 1211Cb 0.12 -2.55 1.53 0.00 0.00 0.00 0.00 34.83 33.93 2ppb s MET 1211CO 0.42 0.04 2.03 0.00 0.00 0.00 0.00 175.02 177.51 2ppb n ALA 1212N -1.70 2.66 -1.99 4.11 0.00 -1.26 -4.44 120.51 117.89 2ppb n ALA 1212Ca -0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 2ppb n ALA 1212Cb 0.55 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.68 2ppb n ALA 1212CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ppb s ARG 1213N -2.17 2.04 0.68 0.00 1.70 -1.26 -4.77 118.95 115.17 2ppb s ARG 1213Ca 0.39 -1.01 -0.17 0.00 -0.47 0.00 0.00 55.73 54.47 2ppb s ARG 1213Cb 0.21 -2.41 -0.11 0.00 -0.57 0.00 0.00 34.95 32.08 2ppb s ARG 1213CO 0.40 -1.14 -0.01 -2.30 -1.08 0.00 0.00 175.30 171.17 2ppb n PRO 1214N -2.62 0.13 -2.00 3.89 -0.02 -1.26 -4.29 135.00 128.83 2ppb n PRO 1214Ca 0.12 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 2ppb n PRO 1214Cb 0.60 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 2ppb n PRO 1214CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ppb s VAL 1215N -1.96 2.69 -0.12 -1.45 0.11 -0.68 -4.79 120.40 114.21 2ppb s VAL 1215Ca 0.57 0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 59.89 2ppb s VAL 1215Cb -0.38 -3.35 -0.02 0.00 -1.53 0.00 0.00 36.38 31.11 2ppb s VAL 1215CO 0.66 0.07 0.91 -0.44 -3.33 0.00 0.00 175.10 172.97 2ppb s SER 1216N 0.64 7.11 0.19 3.54 0.01 -1.26 -4.88 113.70 119.06 2ppb s SER 1216Ca 0.63 1.37 -0.32 0.00 1.31 0.00 0.00 55.95 58.93 2ppb s SER 1216Cb -0.42 -2.50 -0.15 0.00 0.21 0.00 0.00 66.02 63.16 2ppb s SER 1216CO 0.39 -0.39 1.29 -0.38 0.41 0.00 0.00 173.24 174.56 2ppb n ILE 1217N 4.53 0.83 0.00 1.44 5.41 -1.26 -2.56 119.36 127.75 2ppb n ILE 1217Ca 0.06 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.60 2ppb n ILE 1217Cb 0.49 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 38.29 2ppb n ILE 1217CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ppb n GLY 1218N 2.16 1.03 3.66 7.39 0.00 0.57 -4.86 105.19 115.14 2ppb n GLY 1218Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2ppb n GLY 1218CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppb s GLU 1219N -0.64 4.14 -1.03 1.61 2.12 -1.06 0.13 118.70 123.98 2ppb s GLU 1219Ca 0.00 0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.23 2ppb s GLU 1219Cb 0.00 -3.55 -0.15 0.00 0.26 0.00 0.00 34.13 30.68 2ppb s GLU 1219CO 0.00 -0.07 1.95 0.00 -0.54 0.00 0.00 175.26 176.61 2ppb n ALA 1220N 4.58 1.55 -0.12 6.30 0.00 -1.26 -2.76 120.51 128.81 2ppb n ALA 1220Ca -0.09 -2.85 -0.06 0.00 0.00 0.00 0.00 53.44 50.44 2ppb n ALA 1220Cb 0.51 -3.49 0.11 0.00 0.00 0.00 0.00 19.45 16.59 2ppb n ALA 1220CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ppb h VAL 1221N 5.99 1.26 -0.17 0.00 2.07 -1.94 -1.67 116.25 121.79 2ppb h VAL 1221Ca 0.20 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.62 2ppb h VAL 1221Cb 0.90 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2ppb h VAL 1221CO 1.32 0.40 -0.31 1.23 0.02 0.00 0.00 177.57 180.23 2ppb h GLY 1222N 0.98 -0.38 0.83 2.17 0.00 -1.48 0.82 103.07 106.00 2ppb h GLY 1222Ca 0.13 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 2ppb h GLY 1222CO 0.04 -0.22 -0.24 -2.22 0.00 0.00 0.00 176.54 173.90 2ppb h ILE 1223N -0.36 0.45 -1.06 2.60 5.03 -1.70 0.92 117.51 123.39 2ppb h ILE 1223Ca 0.11 -0.28 0.39 0.00 -0.12 0.00 0.00 64.86 64.96 2ppb h ILE 1223Cb 0.53 0.56 -0.16 0.00 -3.03 0.00 0.00 36.82 34.72 2ppb h ILE 1223CO -0.37 0.04 0.61 1.62 -0.68 0.00 0.00 178.15 179.37 2ppb h VAL 1224N -0.86 0.11 0.40 1.67 3.04 -0.84 0.60 116.25 120.36 2ppb h VAL 1224Ca -0.07 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.56 2ppb h VAL 1224Cb 0.59 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 2ppb h VAL 1224CO 0.11 0.02 -0.19 0.00 -1.01 0.00 0.00 177.57 176.50 2ppb h ALA 1225N 1.88 -0.61 -1.28 3.17 0.00 0.92 -2.93 119.26 120.42 2ppb h ALA 1225Ca 0.81 -0.12 0.40 0.00 0.00 0.00 0.00 54.91 56.00 2ppb h ALA 1225Cb 2.14 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 20.03 2ppb h ALA 1225CO -0.66 -0.57 0.84 0.00 0.00 0.00 0.00 179.25 178.86 2ppb h ALA 1226N -1.30 2.71 0.22 0.00 0.00 0.25 -1.63 119.26 119.51 2ppb h ALA 1226Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ppb h ALA 1226Cb 0.41 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ppb h ALA 1226CO 0.09 -1.27 -0.11 1.96 0.00 0.00 0.00 179.25 179.93 2ppb h GLN 1227N 0.14 -0.29 0.00 0.00 4.20 -0.38 -2.86 115.11 115.93 2ppb h GLN 1227Ca 0.76 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.49 2ppb h GLN 1227Cb 2.38 0.06 0.00 0.00 0.30 0.00 0.00 27.48 30.22 2ppb h GLN 1227CO -0.34 0.07 0.40 1.03 -0.67 0.00 0.00 178.83 179.32 2ppb h SER 1228N -0.92 0.00 0.07 1.46 0.87 -1.10 0.32 113.55 114.26 2ppb h SER 1228Ca -0.03 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 2ppb h SER 1228Cb 0.49 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 2ppb h SER 1228CO 0.05 0.00 -2.12 -0.38 -0.53 0.00 0.00 176.83 173.85 2ppb n ILE 1229N -2.23 0.78 0.05 2.23 5.41 -1.13 -4.39 119.36 120.07 2ppb n ILE 1229Ca -0.01 -0.69 -0.01 0.00 1.00 0.00 0.00 62.75 63.04 2ppb n ILE 1229Cb 0.42 -0.29 -0.07 0.00 -0.71 0.00 0.00 39.64 38.98 2ppb n ILE 1229CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ppb h GLY 1230N 3.97 0.00 0.35 7.39 0.00 -0.14 -3.32 103.07 111.32 2ppb h GLY 1230Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2ppb h GLY 1230CO 0.02 0.00 -0.17 -2.09 0.00 0.00 0.00 176.54 174.30 2ppb h GLU 1231N 0.00 -0.45 -0.97 4.80 4.81 -1.66 -3.28 114.58 117.84 2ppb h GLU 1231Ca -0.14 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.40 2ppb h GLU 1231Cb 1.62 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.05 2ppb h GLU 1231CO 0.06 -0.30 0.69 -1.35 -0.73 0.00 0.00 179.01 177.38 2ppb h PRO 1232N -1.07 0.05 0.33 0.92 0.11 -1.76 -1.48 132.00 129.10 2ppb h PRO 1232Ca -0.05 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2ppb h PRO 1232Cb 0.36 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2ppb h PRO 1232CO 0.08 0.04 -0.35 0.78 -0.21 0.00 0.00 178.00 178.34 2ppb h GLY 1233N 0.06 -0.80 -0.07 -0.55 0.00 -1.65 -0.49 103.07 99.57 2ppb h GLY 1233Ca 0.47 0.40 0.19 0.00 0.00 0.00 0.00 47.33 48.39 2ppb h GLY 1233CO -0.04 -0.29 0.85 -0.84 0.00 0.00 0.00 176.54 176.22 2ppb h THR 1234N -0.71 0.14 0.00 4.70 2.02 -1.32 -1.29 112.91 116.46 2ppb h THR 1234Ca -0.02 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.85 2ppb h THR 1234Cb 0.65 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 2ppb h THR 1234CO -0.08 0.00 -1.98 1.67 0.37 0.00 0.00 175.52 175.50 2ppb n GLN 1235N -3.35 0.57 0.08 6.66 -0.06 -0.57 -4.64 117.38 116.05 2ppb n GLN 1235Ca 0.14 0.28 -0.12 0.00 -2.00 0.00 0.00 57.00 55.30 2ppb n GLN 1235Cb 1.07 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 25.62 2ppb n GLN 1235CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2ppb h LEU 1236N -1.00 0.24 -1.85 1.69 3.38 -0.94 -3.28 115.31 113.54 2ppb h LEU 1236Ca -0.47 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2ppb h LEU 1236Cb 1.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2ppb h LEU 1236CO -0.29 1.22 0.00 0.74 0.09 0.00 0.00 178.44 180.20 2ppb h THR 1237N 0.04 0.00 0.01 0.22 2.02 -1.42 -2.22 112.91 111.56 2ppb h THR 1237Ca -0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2ppb h THR 1237Cb 1.91 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2ppb h THR 1237CO 0.16 0.00 -0.00 0.24 0.37 0.00 0.00 175.52 176.29 2ppb h MET 1238N 0.00 -0.01 -0.01 6.66 2.86 -1.76 -2.82 114.93 119.85 2ppb h MET 1238Ca 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2ppb h MET 1238Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2ppb h MET 1238CO 0.00 0.67 -0.93 -0.09 1.06 0.00 0.00 176.91 177.63 2ppb h ARG 1239N -0.71 0.41 -0.43 1.72 2.43 -1.68 -2.44 114.38 113.67 2ppb h ARG 1239Ca -0.00 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 2ppb h ARG 1239Cb 0.69 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2ppb h ARG 1239CO 0.00 1.10 0.05 1.15 -1.51 0.00 0.00 179.97 180.76 2ppb h THR 1240N 0.23 1.21 0.00 0.20 2.02 -1.54 -1.11 112.91 113.93 2ppb h THR 1240Ca -0.08 -0.81 -0.11 0.00 0.77 0.00 0.00 66.41 66.18 2ppb h THR 1240Cb 1.56 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2ppb h THR 1240CO 0.16 0.29 -0.54 0.15 0.37 0.00 0.00 175.52 175.95 2ppb h PHE 1241N 0.65 0.00 0.00 3.16 3.57 -1.44 0.21 116.94 123.08 2ppb h PHE 1241Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2ppb h PHE 1241Cb 0.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 2ppb h PHE 1241CO 0.01 0.54 -0.03 0.45 -2.23 0.00 0.00 178.31 177.05 2ppb h HIS 1242N 0.00 0.00 -1.48 0.41 3.86 -0.72 -3.44 115.15 113.77 2ppb h HIS 1242Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2ppb h HIS 1242Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2ppb h HIS 1242CO 0.00 0.03 0.00 0.25 0.86 0.00 0.00 177.93 179.07 2ppb n THR 1243N -3.12 0.00 0.15 2.45 -2.24 -0.77 -5.07 114.28 105.68 2ppb n THR 1243Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 2ppb n THR 1243Cb 0.42 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 2ppb n THR 1243CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2ppb h ASP 1251N 0.00 -0.37 0.00 3.42 -0.00 -2.05 -3.46 116.42 113.96 2ppb h ASP 1251Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 2ppb h ASP 1251Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 2ppb h ASP 1251CO 0.00 0.09 0.00 -0.38 -0.00 0.00 0.00 179.24 178.95 2ppb n ILE 1252N -5.08 0.00 -3.76 2.25 5.41 -1.26 -4.67 119.36 112.25 2ppb n ILE 1252Ca -0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 2ppb n ILE 1252Cb 0.25 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.04 2ppb n ILE 1252CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2ppb s THR 1253N -1.44 -0.04 -0.25 1.39 -4.23 -1.26 -5.08 115.64 104.73 2ppb s THR 1253Ca 0.00 0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 2ppb s THR 1253Cb 0.00 -0.24 -0.05 0.00 1.34 0.00 0.00 72.50 73.55 2ppb s THR 1253CO 0.00 0.06 0.21 -1.58 -0.54 0.00 0.00 174.62 172.77 2ppb s GLN 1254N 0.99 4.04 0.00 3.99 0.74 -1.20 -3.80 119.66 124.43 2ppb s GLN 1254Ca -0.08 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.13 2ppb s GLN 1254Cb -0.10 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.43 2ppb s GLN 1254CO -0.05 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.05 2ppb n GLY 1255N 4.50 1.27 0.31 2.59 0.00 0.72 -4.69 105.19 109.89 2ppb n GLY 1255Ca -0.13 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.49 2ppb n GLY 1255CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ppb n LEU 1256N 0.00 -0.04 -0.33 0.99 7.94 -1.26 0.21 117.00 124.52 2ppb n LEU 1256Ca 0.00 1.55 0.21 0.00 -1.11 0.00 0.00 56.01 56.65 2ppb n LEU 1256Cb 0.00 -0.60 0.46 0.00 0.53 0.00 0.00 43.42 43.82 2ppb n LEU 1256CO 0.00 -1.60 1.20 -0.65 -1.11 0.00 0.00 177.39 175.24 2ppb h PRO 1257N 0.00 0.46 0.13 1.96 0.11 -1.91 0.73 132.00 133.47 2ppb h PRO 1257Ca 0.59 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 66.38 2ppb h PRO 1257Cb 1.30 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ppb h PRO 1257CO -0.83 0.30 -1.42 -0.09 -0.21 0.00 0.00 178.00 175.75 2ppb h ARG 1258N 0.47 0.27 0.00 1.05 2.43 0.22 -2.86 114.38 115.96 2ppb h ARG 1258Ca 0.60 -0.46 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2ppb h ARG 1258Cb 1.38 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2ppb h ARG 1258CO -0.34 1.16 -0.09 0.28 -1.51 0.00 0.00 179.97 179.47 2ppb h VAL 1259N 0.07 0.48 -0.04 0.20 2.07 -0.15 0.21 116.25 119.09 2ppb h VAL 1259Ca -0.20 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 2ppb h VAL 1259Cb 2.01 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 33.08 2ppb h VAL 1259CO 0.18 0.09 -0.35 0.40 0.02 0.00 0.00 177.57 177.91 2ppb h ILE 1260N 0.00 1.46 0.00 4.57 1.08 -1.15 -2.17 117.51 121.30 2ppb h ILE 1260Ca -0.00 -1.84 -0.00 0.00 -0.39 0.00 0.00 64.86 62.62 2ppb h ILE 1260Cb 0.29 2.49 -0.00 0.00 -3.07 0.00 0.00 36.82 36.53 2ppb h ILE 1260CO 0.01 0.52 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.90 2ppb h GLU 1261N -0.24 0.00 0.02 2.37 4.81 -0.86 0.43 114.58 121.11 2ppb h GLU 1261Ca -0.03 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 2ppb h GLU 1261Cb 1.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2ppb h GLU 1261CO 0.07 0.02 -1.42 1.28 -0.73 0.00 0.00 179.01 178.22 2ppb n LEU 1262N -3.42 2.00 0.20 1.64 4.32 0.56 -3.40 117.00 118.91 2ppb n LEU 1262Ca -0.03 0.38 0.09 0.00 -0.02 0.00 0.00 56.01 56.44 2ppb n LEU 1262Cb 0.11 -0.99 0.31 0.00 -1.62 0.00 0.00 43.42 41.23 2ppb n LEU 1262CO 0.24 0.38 0.73 -0.26 -1.22 0.00 0.00 177.39 177.27 2ppb h PHE 1263N -0.81 0.00 -3.60 -1.77 -1.00 -1.22 -3.37 116.94 105.17 2ppb h PHE 1263Ca -0.37 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 59.72 2ppb h PHE 1263Cb 1.44 0.00 -0.34 0.00 3.61 0.00 0.00 35.95 40.66 2ppb h PHE 1263CO 0.09 0.24 -0.61 -1.21 -1.61 0.00 0.00 178.31 175.21 2ppb s GLU 1264N -3.38 2.15 -0.30 1.51 8.01 0.12 -1.99 118.70 124.82 2ppb s GLU 1264Ca 0.03 -1.61 -0.40 0.00 0.01 0.00 0.00 54.97 53.00 2ppb s GLU 1264Cb 0.08 -3.43 -0.15 0.00 -4.31 0.00 0.00 34.13 26.32 2ppb s GLU 1264CO 0.66 -0.90 1.81 0.00 0.01 0.00 0.00 175.26 176.85 2ppb n ALA 1265N 4.60 -0.04 -3.69 5.21 0.00 -1.26 -4.44 120.51 120.89 2ppb n ALA 1265Ca -0.06 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2ppb n ALA 1265Cb 0.42 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2ppb n ALA 1265CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ppb n ARG 1266N 5.80 0.39 -3.79 0.00 1.74 -1.22 -4.97 116.66 114.61 2ppb n ARG 1266Ca 0.30 -1.85 -0.37 0.00 -0.77 0.00 0.00 57.85 55.16 2ppb n ARG 1266Cb 0.13 1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 33.15 2ppb n ARG 1266CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ppb s ARG 1267N -2.60 2.33 0.92 5.56 0.52 -1.26 -4.70 118.95 119.72 2ppb s ARG 1267Ca 0.20 -1.48 -0.11 0.00 -0.52 0.00 0.00 55.73 53.82 2ppb s ARG 1267Cb -0.00 -3.46 0.14 0.00 0.52 0.00 0.00 34.95 32.15 2ppb s ARG 1267CO 0.14 -0.84 1.09 -2.14 0.02 0.00 0.00 175.30 173.58 2ppb s PRO 1268N 1.26 1.06 0.00 3.54 0.02 -1.26 -5.07 135.00 134.55 2ppb s PRO 1268Ca 0.01 0.92 0.00 0.00 0.02 0.00 0.00 61.00 61.95 2ppb s PRO 1268Cb -0.21 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2ppb s PRO 1268CO -0.01 -2.41 0.11 1.63 -0.33 0.00 0.00 177.00 175.99 2ppb n LYS 1269N -4.01 0.00 -2.43 5.54 5.02 -1.26 -4.18 118.16 116.84 2ppb n LYS 1269Ca 0.07 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 2ppb n LYS 1269Cb 0.55 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.91 2ppb n LYS 1269CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ppb s ALA 1270N -2.06 2.57 0.46 7.82 0.00 -1.26 -4.98 121.76 124.30 2ppb s ALA 1270Ca 0.00 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.39 2ppb s ALA 1270Cb 0.00 -4.33 -0.09 0.00 0.00 0.00 0.00 23.12 18.70 2ppb s ALA 1270CO 0.00 -3.55 0.92 0.21 0.00 0.00 0.00 175.76 173.33 2ppb s LYS 1271N 5.93 4.01 -0.20 0.00 2.20 -1.26 -2.29 119.74 128.13 2ppb s LYS 1271Ca 0.45 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.97 2ppb s LYS 1271Cb -0.07 -2.22 0.04 0.00 -1.51 0.00 0.00 37.83 34.07 2ppb s LYS 1271CO 0.11 -0.13 -0.13 0.00 -0.36 0.00 0.00 175.35 174.84 2ppb s ALA 1272N -2.40 2.16 -0.14 3.13 0.00 0.91 -4.76 121.76 120.67 2ppb s ALA 1272Ca 0.58 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2ppb s ALA 1272Cb -0.10 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 2ppb s ALA 1272CO 0.25 -0.71 2.04 0.14 0.00 0.00 0.00 175.76 177.48 2ppb s VAL 1273N 1.33 3.13 0.60 0.00 -7.23 -1.26 -4.72 120.40 112.25 2ppb s VAL 1273Ca -0.00 0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.22 2ppb s VAL 1273Cb -0.16 -3.14 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 2ppb s VAL 1273CO -0.09 -0.06 0.97 0.27 -0.31 0.00 0.00 175.10 175.87 2ppb s ILE 1274N 6.61 4.23 -0.67 -0.62 -4.36 -1.26 -2.33 121.20 122.80 2ppb s ILE 1274Ca 0.92 0.45 -0.20 0.00 -0.26 0.00 0.00 60.65 61.56 2ppb s ILE 1274Cb -0.34 -3.68 0.10 0.00 1.25 0.00 0.00 42.46 39.78 2ppb s ILE 1274CO 0.36 -0.81 0.84 -0.94 0.24 0.00 0.00 174.94 174.63 2ppb s SER 1275N -4.23 6.27 0.58 4.36 1.04 -1.04 -4.86 113.70 115.80 2ppb s SER 1275Ca 0.54 -1.44 0.27 0.00 0.48 0.00 0.00 55.95 55.80 2ppb s SER 1275Cb -0.11 -2.34 1.68 0.00 0.10 0.00 0.00 66.02 65.35 2ppb s SER 1275CO 0.50 -1.18 2.19 -0.33 0.98 0.00 0.00 173.24 175.39 2ppb h GLU 1276N 9.19 0.00 -6.22 4.02 5.08 -1.91 0.40 114.58 125.14 2ppb h GLU 1276Ca -0.21 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.49 2ppb h GLU 1276Cb 1.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2ppb h GLU 1276CO 1.11 0.00 -0.65 0.42 -1.00 0.00 0.00 179.01 178.89 2ppb s ILE 1277N -4.71 4.10 -0.55 3.13 1.01 -1.26 -4.79 121.20 118.13 2ppb s ILE 1277Ca -0.05 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 2ppb s ILE 1277Cb 0.16 -2.87 0.14 0.00 0.01 0.00 0.00 42.46 39.90 2ppb s ILE 1277CO 0.57 0.29 0.40 1.51 0.00 0.00 0.00 174.94 177.71 2ppb s ASP 1278N -1.82 5.64 0.00 3.58 -4.77 -1.26 -4.37 116.67 113.67 2ppb s ASP 1278Ca 0.22 -2.29 0.00 0.00 -3.30 0.00 0.00 52.55 47.18 2ppb s ASP 1278Cb -0.12 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.75 2ppb s ASP 1278CO 0.13 -0.57 0.00 0.61 0.70 0.00 0.00 175.17 176.04 2ppb n GLY 1279N 4.35 1.28 3.54 2.12 0.00 -1.19 -4.93 105.19 110.35 2ppb n GLY 1279Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2ppb n GLY 1279CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 1280N 0.61 0.00 0.16 1.61 1.01 -0.97 -2.23 120.40 120.60 2ppb s VAL 1280Ca 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.57 2ppb s VAL 1280Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2ppb s VAL 1280CO 0.00 0.00 -0.08 -0.69 0.00 0.00 0.00 175.10 174.33 2ppb s VAL 1281N -3.27 3.34 -0.11 2.92 1.01 -0.91 -1.60 120.40 121.78 2ppb s VAL 1281Ca 0.27 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 2ppb s VAL 1281Cb -0.01 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2ppb s VAL 1281CO 0.16 -0.05 0.29 -0.60 0.00 0.00 0.00 175.10 174.89 2ppb s ARG 1282N -2.69 0.32 0.19 2.72 6.06 -0.26 -2.43 118.95 122.87 2ppb s ARG 1282Ca 0.24 0.43 0.10 0.00 -2.50 0.00 0.00 55.73 54.00 2ppb s ARG 1282Cb -0.09 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 35.00 2ppb s ARG 1282CO 0.15 -0.06 -0.21 0.42 -2.50 0.00 0.00 175.30 173.11 2ppb s ILE 1283N 0.31 2.11 0.29 4.11 1.09 -1.26 -0.66 121.20 127.18 2ppb s ILE 1283Ca -0.01 -2.04 0.08 0.00 -1.10 0.00 0.00 60.65 57.58 2ppb s ILE 1283Cb -0.03 -2.02 -0.06 0.00 -1.06 0.00 0.00 42.46 39.29 2ppb s ILE 1283CO -0.01 -0.26 -0.10 -0.70 -0.10 0.00 0.00 174.94 173.77 2ppb s GLU 1284N -2.87 1.62 -0.19 2.79 -6.30 -1.19 -5.00 118.70 107.57 2ppb s GLU 1284Ca 0.20 -1.81 0.18 0.00 -2.50 0.00 0.00 54.97 51.04 2ppb s GLU 1284Cb -0.06 -1.40 -0.25 0.00 0.00 0.00 0.00 34.13 32.41 2ppb s GLU 1284CO 0.09 0.13 0.10 -0.85 0.02 0.00 0.00 175.26 174.74 2ppb n GLU 1285N -0.63 0.69 -1.33 4.30 0.00 -1.26 -4.47 120.64 117.94 2ppb n GLU 1285Ca -0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 57.16 56.67 2ppb n GLU 1285Cb 0.63 -1.52 -0.00 0.00 0.00 0.00 0.00 31.44 30.54 2ppb n GLU 1285CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ppb n THR 1286N -2.73 0.93 0.00 3.84 5.66 -1.26 -4.90 114.28 115.82 2ppb n THR 1286Ca -0.32 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.18 2ppb n THR 1286Cb 1.13 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 2ppb n THR 1286CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2ppb n GLU 1287N 1.21 0.00 0.00 1.09 1.02 -1.26 -4.33 120.64 118.37 2ppb n GLU 1287Ca 0.12 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2ppb n GLU 1287Cb 0.38 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 2ppb n GLU 1287CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ppb n GLU 1288N -0.74 0.00 -4.61 3.49 2.13 -1.26 -4.80 120.64 114.85 2ppb n GLU 1288Ca 0.00 0.12 -0.34 0.00 0.66 0.00 0.00 57.16 57.60 2ppb n GLU 1288Cb 0.00 -0.80 -0.11 0.00 0.27 0.00 0.00 31.44 30.80 2ppb n GLU 1288CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ppb s LYS 1289N -0.60 2.85 1.08 5.31 1.02 -1.26 -4.58 119.74 123.56 2ppb s LYS 1289Ca 0.00 -0.55 -0.17 0.00 0.02 0.00 0.00 55.97 55.27 2ppb s LYS 1289Cb 0.00 -2.62 0.24 0.00 -0.52 0.00 0.00 37.83 34.93 2ppb s LYS 1289CO 0.00 0.61 1.20 -0.51 -0.92 0.00 0.00 175.35 175.74 2ppb s LEU 1290N -0.67 1.66 -0.30 3.17 1.43 -1.09 -4.79 118.68 118.09 2ppb s LEU 1290Ca 0.10 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2ppb s LEU 1290Cb -0.11 -2.42 0.15 0.00 0.03 0.00 0.00 46.19 43.84 2ppb s LEU 1290CO 0.02 -3.41 0.77 -0.94 0.23 0.00 0.00 176.35 173.02 2ppb s SER 1291N -4.33 -0.96 -0.26 2.29 1.04 -1.26 -3.18 113.70 107.04 2ppb s SER 1291Ca 0.72 1.19 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 2ppb s SER 1291Cb -0.08 2.04 -0.05 0.00 0.10 0.00 0.00 66.02 68.04 2ppb s SER 1291CO 0.54 -0.18 0.17 -0.69 0.98 0.00 0.00 173.24 174.06 2ppb s VAL 1292N 2.76 5.31 -0.10 5.02 1.01 -1.12 -3.15 120.40 130.13 2ppb s VAL 1292Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2ppb s VAL 1292Cb -0.10 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2ppb s VAL 1292CO -0.18 0.31 -0.22 -0.36 0.00 0.00 0.00 175.10 174.65 2ppb s PHE 1293N 1.34 2.59 -0.55 5.22 0.40 0.16 -3.00 117.98 124.16 2ppb s PHE 1293Ca 0.07 -0.86 -0.21 0.00 -0.60 0.00 0.00 56.93 55.33 2ppb s PHE 1293Cb -0.15 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.73 2ppb s PHE 1293CO 0.07 -0.31 0.75 0.08 0.70 0.00 0.00 175.22 176.51 2ppb s VAL 1294N 0.20 4.68 0.19 -0.44 1.01 -1.24 -1.10 120.40 123.70 2ppb s VAL 1294Ca -0.13 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2ppb s VAL 1294Cb -0.16 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 2ppb s VAL 1294CO 0.07 -1.00 -0.04 -1.83 0.00 0.00 0.00 175.10 172.31 2ppb s GLU 1295N 3.13 1.18 0.15 2.72 1.03 -0.63 -0.69 118.70 125.60 2ppb s GLU 1295Ca 0.19 -1.56 0.02 0.00 0.03 0.00 0.00 54.97 53.66 2ppb s GLU 1295Cb -0.18 -0.53 -0.04 0.00 -0.80 0.00 0.00 34.13 32.58 2ppb s GLU 1295CO 0.13 -0.05 -0.04 -1.12 -1.33 0.00 0.00 175.26 172.85 2ppb s SER 1296N -3.22 1.36 0.00 0.83 0.01 -0.84 -2.28 113.70 109.56 2ppb s SER 1296Ca 0.23 -1.10 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2ppb s SER 1296Cb 0.05 0.08 0.40 0.00 0.21 0.00 0.00 66.02 66.75 2ppb s SER 1296CO 0.05 -0.49 0.93 1.21 0.41 0.00 0.00 173.24 175.35 2ppb n GLU 1297N -0.19 0.19 -0.14 12.44 2.13 -1.26 -2.70 120.64 131.10 2ppb n GLU 1297Ca -0.09 0.06 -0.30 0.00 0.66 0.00 0.00 57.16 57.50 2ppb n GLU 1297Cb 0.62 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.73 2ppb n GLU 1297CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ppb n GLY 1298N -0.60 -0.45 3.50 8.31 0.00 -1.26 -5.08 105.19 109.61 2ppb n GLY 1298Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2ppb n GLY 1298CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ppb s PHE 1299N -2.51 -0.54 0.04 1.61 -0.00 -1.10 -5.17 117.98 110.31 2ppb s PHE 1299Ca -0.39 0.70 0.09 0.00 -0.00 0.00 0.00 56.93 57.34 2ppb s PHE 1299Cb 0.15 0.48 -0.03 0.00 -0.00 0.00 0.00 43.02 43.62 2ppb s PHE 1299CO 0.49 -0.62 -0.26 -1.54 -0.00 0.00 0.00 175.22 173.29 2ppb s SER 1300N -1.78 3.07 -0.70 1.98 1.04 -1.26 -1.98 113.70 114.08 2ppb s SER 1300Ca -0.04 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.65 2ppb s SER 1300Cb -0.00 -0.28 0.16 0.00 0.10 0.00 0.00 66.02 65.99 2ppb s SER 1300CO -0.00 0.25 0.72 -0.75 0.98 0.00 0.00 173.24 174.44 2ppb s LYS 1301N -1.18 3.30 -0.11 4.02 2.47 0.14 -4.95 119.74 123.42 2ppb s LYS 1301Ca 0.11 -1.90 -0.37 0.00 -1.56 0.00 0.00 55.97 52.25 2ppb s LYS 1301Cb -0.10 -4.41 -0.14 0.00 -1.46 0.00 0.00 37.83 31.72 2ppb s LYS 1301CO 0.02 -1.42 1.70 -1.91 0.16 0.00 0.00 175.35 173.90 2ppb n GLU 1302N 5.19 1.56 -3.91 4.03 0.00 -1.26 -3.61 120.64 122.64 2ppb n GLU 1302Ca 0.02 0.57 -0.30 0.00 0.00 0.00 0.00 57.16 57.44 2ppb n GLU 1302Cb 0.44 -2.30 -0.15 0.00 0.00 0.00 0.00 31.44 29.42 2ppb n GLU 1302CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2ppb s TYR 1303N 2.90 2.45 -0.32 4.31 1.51 -1.16 -5.05 117.35 122.00 2ppb s TYR 1303Ca 0.92 -1.94 -0.29 0.00 -1.01 0.00 0.00 57.07 54.75 2ppb s TYR 1303Cb -0.90 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.11 2ppb s TYR 1303CO 0.55 -0.82 1.62 0.15 -1.11 0.00 0.00 175.55 175.95 2ppb s LYS 1304N 1.37 3.56 -0.64 -0.62 1.02 -1.26 -2.77 119.74 120.39 2ppb s LYS 1304Ca 0.00 1.36 -0.01 0.00 0.02 0.00 0.00 55.97 57.34 2ppb s LYS 1304Cb -0.18 -4.09 0.16 0.00 -0.52 0.00 0.00 37.83 33.19 2ppb s LYS 1304CO -0.10 -1.59 0.44 -0.51 -0.92 0.00 0.00 175.35 172.67 2ppb s LEU 1305N 5.91 5.06 1.11 3.17 1.43 -1.19 -5.02 118.68 129.15 2ppb s LEU 1305Ca 0.72 -3.03 -0.16 0.00 -1.03 0.00 0.00 54.13 50.63 2ppb s LEU 1305Cb -0.21 -1.81 0.21 0.00 0.03 0.00 0.00 46.19 44.42 2ppb s LEU 1305CO 0.32 -0.31 0.44 -2.65 0.23 0.00 0.00 176.35 174.38 2ppb n PRO 1306N 3.21 -2.78 0.30 1.29 -0.02 -1.26 -2.66 135.00 133.08 2ppb n PRO 1306Ca 0.09 -0.82 0.18 0.00 -2.02 0.00 0.00 63.50 60.93 2ppb n PRO 1306Cb 0.36 -1.59 1.00 0.00 -0.02 0.00 0.00 33.50 33.25 2ppb n PRO 1306CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ppb h LYS 1307N -2.86 0.00 0.00 -0.52 -0.00 -1.96 -2.90 116.57 108.33 2ppb h LYS 1307Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.36 2ppb h LYS 1307Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.14 2ppb h LYS 1307CO 0.19 0.00 -0.43 0.39 -0.00 0.00 0.00 179.45 179.60 2ppb n GLU 1308N -3.51 0.18 -3.65 0.07 4.71 -1.26 -4.90 120.64 112.28 2ppb n GLU 1308Ca -0.02 0.07 -0.37 0.00 -0.01 0.00 0.00 57.16 56.83 2ppb n GLU 1308Cb 0.15 -1.63 -0.06 0.00 -1.01 0.00 0.00 31.44 28.89 2ppb n GLU 1308CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ppb s ALA 1309N -3.09 3.76 -0.16 0.62 0.00 -1.10 -5.10 121.76 116.69 2ppb s ALA 1309Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 2ppb s ALA 1309Cb 0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2ppb s ALA 1309CO 0.67 0.50 -0.01 -0.98 0.00 0.00 0.00 175.76 175.94 2ppb s ARG 1310N -0.91 3.71 -0.14 0.00 3.03 -1.26 -4.92 118.95 118.47 2ppb s ARG 1310Ca 0.20 -0.48 -0.05 0.00 2.03 0.00 0.00 55.73 57.43 2ppb s ARG 1310Cb -0.15 -2.97 -0.04 0.00 -1.03 0.00 0.00 34.95 30.76 2ppb s ARG 1310CO 0.09 0.27 0.05 -0.48 -1.13 0.00 0.00 175.30 174.10 2ppb s LEU 1311N 0.31 3.83 -0.04 -1.89 2.34 -1.26 -2.37 118.68 119.60 2ppb s LEU 1311Ca -0.02 0.17 0.13 0.00 0.06 0.00 0.00 54.13 54.47 2ppb s LEU 1311Cb -0.14 -1.93 -0.20 0.00 -0.56 0.00 0.00 46.19 43.36 2ppb s LEU 1311CO 0.02 0.28 0.25 -0.11 -1.06 0.00 0.00 176.35 175.74 2ppb n LEU 1312N 2.80 0.00 -4.75 1.48 7.94 -1.26 -4.97 117.00 118.24 2ppb n LEU 1312Ca -0.18 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.31 2ppb n LEU 1312Cb 0.53 0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 2ppb n LEU 1312CO 0.32 0.06 0.89 0.54 -1.11 0.00 0.00 177.39 178.09 2ppb s VAL 1313N -2.84 3.35 0.24 1.96 0.11 -1.26 -5.00 120.40 116.96 2ppb s VAL 1313Ca -0.05 1.22 0.07 0.00 -2.93 0.00 0.00 61.98 60.29 2ppb s VAL 1313Cb 0.08 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2ppb s VAL 1313CO 0.57 0.24 0.22 -1.59 -3.33 0.00 0.00 175.10 171.21 2ppb s LYS 1314N -0.84 3.01 -0.51 1.54 -2.85 -1.26 -4.92 119.74 113.90 2ppb s LYS 1314Ca 0.50 -1.00 -0.27 0.00 -1.00 0.00 0.00 55.97 54.21 2ppb s LYS 1314Cb -0.34 -2.62 -0.09 0.00 -2.06 0.00 0.00 37.83 32.72 2ppb s LYS 1314CO 0.41 0.41 2.42 -0.25 0.10 0.00 0.00 175.35 178.44 2ppb n ASP 1315N -1.17 2.19 0.00 0.03 10.43 -1.26 -3.68 116.55 123.10 2ppb n ASP 1315Ca -0.08 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 56.93 2ppb n ASP 1315Cb 0.58 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 42.03 2ppb n ASP 1315CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ppb n GLY 1316N 6.06 1.49 3.94 0.44 0.00 -1.02 -5.03 105.19 111.08 2ppb n GLY 1316Ca 0.40 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 2ppb n GLY 1316CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ppb s ASP 1317N 0.00 6.34 0.43 1.61 -1.08 -1.24 -4.76 116.67 117.97 2ppb s ASP 1317Ca 0.00 0.33 -0.23 0.00 -0.52 0.00 0.00 52.55 52.14 2ppb s ASP 1317Cb 0.00 -1.98 -0.11 0.00 -1.46 0.00 0.00 42.92 39.37 2ppb s ASP 1317CO 0.00 -0.13 0.72 0.00 0.52 0.00 0.00 175.17 176.28 2ppb n TYR 1318N -1.18 0.11 -3.58 -5.34 4.19 -1.26 -2.14 117.16 107.96 2ppb n TYR 1318Ca -0.06 0.58 -0.26 0.00 3.31 0.00 0.00 57.90 61.47 2ppb n TYR 1318Cb 0.55 -2.07 -0.16 0.00 0.49 0.00 0.00 39.34 38.15 2ppb n TYR 1318CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 2ppb s VAL 1319N -1.41 -0.10 0.99 2.97 -7.23 -0.95 -4.75 120.40 109.92 2ppb s VAL 1319Ca 0.64 -0.34 -0.11 0.00 -1.81 0.00 0.00 61.98 60.36 2ppb s VAL 1319Cb -0.58 -0.71 0.19 0.00 0.56 0.00 0.00 36.38 35.84 2ppb s VAL 1319CO 0.57 -0.41 1.09 -0.70 -0.31 0.00 0.00 175.10 175.34 2ppb s GLU 1320N 2.14 0.43 0.24 4.82 2.56 -1.26 -3.19 118.70 124.44 2ppb s GLU 1320Ca 0.05 1.16 -0.31 0.00 0.00 0.00 0.00 54.97 55.86 2ppb s GLU 1320Cb -0.16 -1.69 -0.12 0.00 2.00 0.00 0.00 34.13 34.16 2ppb s GLU 1320CO -0.18 -2.91 1.69 0.00 -0.56 0.00 0.00 175.26 173.30 2ppb n ALA 1321N -4.39 2.76 -1.26 6.30 0.00 -1.26 -2.02 120.51 120.65 2ppb n ALA 1321Ca 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.86 2ppb n ALA 1321Cb 0.53 -2.51 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 2ppb n ALA 1321CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ppb n GLY 1322N 3.38 0.65 3.77 0.00 0.00 0.13 -4.68 105.19 108.44 2ppb n GLY 1322Ca 0.14 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2ppb n GLY 1322CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppb s GLN 1323N -2.62 4.47 -0.08 1.61 0.74 -0.86 -4.70 119.66 118.23 2ppb s GLN 1323Ca 0.00 1.04 -0.31 0.00 0.05 0.00 0.00 55.36 56.13 2ppb s GLN 1323Cb 0.00 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.72 2ppb s GLN 1323CO 0.00 0.48 2.00 -2.30 -0.55 0.00 0.00 175.29 174.92 2ppb n PRO 1324N 2.07 2.36 -0.00 1.67 -0.02 -1.26 -2.50 135.00 137.32 2ppb n PRO 1324Ca -0.05 0.83 0.07 0.00 -2.02 0.00 0.00 63.50 62.32 2ppb n PRO 1324Cb 0.50 -2.89 -0.09 0.00 -0.02 0.00 0.00 33.50 30.99 2ppb n PRO 1324CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ppb n LEU 1325N 8.11 0.33 -4.36 2.45 4.32 -0.99 -4.76 117.00 122.10 2ppb n LEU 1325Ca 0.24 -0.26 -0.20 0.00 -0.02 0.00 0.00 56.01 55.77 2ppb n LEU 1325Cb 0.36 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.06 2ppb n LEU 1325CO 0.70 0.08 -0.45 -0.89 -1.22 0.00 0.00 177.39 175.61 2ppb s THR 1326N -2.62 1.87 -0.25 -5.08 2.01 -1.18 -4.57 115.64 105.82 2ppb s THR 1326Ca 0.00 -2.19 -0.14 0.00 0.31 0.00 0.00 61.69 59.68 2ppb s THR 1326Cb 0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2ppb s THR 1326CO 0.57 -0.51 0.32 -0.13 -0.69 0.00 0.00 174.62 174.19 2ppb s ARG 1327N -3.46 4.05 0.00 4.92 1.81 -1.00 -4.75 118.95 120.53 2ppb s ARG 1327Ca 0.22 -0.01 0.00 0.00 -1.72 0.00 0.00 55.73 54.22 2ppb s ARG 1327Cb -0.02 -3.61 0.00 0.00 -0.45 0.00 0.00 34.95 30.86 2ppb s ARG 1327CO 0.08 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 174.95 2ppb n GLY 1328N 4.51 0.45 3.93 -3.53 0.00 -1.26 -4.81 105.19 104.48 2ppb n GLY 1328Ca -0.10 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 2ppb n GLY 1328CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppb s ALA 1329N -1.00 3.52 0.31 4.61 0.00 -0.97 -4.88 121.76 123.35 2ppb s ALA 1329Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2ppb s ALA 1329Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2ppb s ALA 1329CO 0.00 -0.41 0.18 0.42 0.00 0.00 0.00 175.76 175.95 2ppb s ILE 1330N -2.68 0.22 -0.04 0.00 1.01 -1.26 -0.06 121.20 118.39 2ppb s ILE 1330Ca 0.48 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 59.19 2ppb s ILE 1330Cb -0.10 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2ppb s ILE 1330CO 0.42 0.00 -0.23 -0.62 0.00 0.00 0.00 174.94 174.50 2ppb s ASP 1331N -3.37 2.81 0.01 3.58 3.68 -1.26 -4.77 116.67 117.37 2ppb s ASP 1331Ca 0.36 -0.45 -0.25 0.00 2.13 0.00 0.00 52.55 54.34 2ppb s ASP 1331Cb 0.04 -0.58 -0.17 0.00 -1.45 0.00 0.00 42.92 40.76 2ppb s ASP 1331CO 0.19 0.25 1.33 -0.65 0.13 0.00 0.00 175.17 176.43 2ppb h PRO 1332N 5.87 -0.23 -0.64 4.34 0.11 -1.97 -3.13 132.00 136.35 2ppb h PRO 1332Ca -0.36 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.86 2ppb h PRO 1332Cb 1.15 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 2ppb h PRO 1332CO 0.47 0.09 -0.43 0.45 -0.21 0.00 0.00 178.00 178.37 2ppb h HIS 1333N -0.56 -1.25 -0.96 0.65 3.86 -1.96 0.34 115.15 115.26 2ppb h HIS 1333Ca -0.02 0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2ppb h HIS 1333Cb 0.42 0.64 -0.05 0.00 1.06 0.00 0.00 27.41 29.48 2ppb h HIS 1333CO 0.03 -0.41 0.61 1.96 0.86 0.00 0.00 177.93 180.97 2ppb h GLN 1334N -0.19 1.28 -0.45 2.45 4.20 -2.00 -1.48 115.11 118.92 2ppb h GLN 1334Ca 0.20 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2ppb h GLN 1334Cb 0.56 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2ppb h GLN 1334CO -0.73 0.87 0.05 1.25 -0.67 0.00 0.00 178.83 179.61 2ppb h LEU 1335N 1.31 0.66 -0.34 1.46 5.85 -0.87 -0.49 115.31 122.89 2ppb h LEU 1335Ca 0.35 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2ppb h LEU 1335Cb -0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2ppb h LEU 1335CO -0.07 0.70 0.17 0.25 -0.34 0.00 0.00 178.44 179.15 2ppb h LEU 1336N 0.67 0.44 -0.19 2.25 5.85 0.45 0.12 115.31 124.91 2ppb h LEU 1336Ca 0.14 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ppb h LEU 1336Cb 0.34 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2ppb h LEU 1336CO 0.01 0.43 0.10 -0.33 -0.34 0.00 0.00 178.44 178.30 2ppb h GLU 1337N 0.42 0.27 0.06 1.25 3.07 -0.98 -1.32 114.58 117.35 2ppb h GLU 1337Ca 0.12 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2ppb h GLU 1337Cb 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2ppb h GLU 1337CO -0.02 0.27 -0.03 0.00 -1.40 0.00 0.00 179.01 177.84 2ppb h ALA 1338N 0.98 -0.09 0.00 3.43 0.00 -1.00 -3.40 119.26 119.18 2ppb h ALA 1338Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ppb h ALA 1338Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ppb h ALA 1338CO -0.01 -0.09 -0.96 1.63 0.00 0.00 0.00 179.25 179.83 2ppb n LYS 1339N -4.46 0.32 0.00 0.00 5.02 0.40 -4.98 118.16 114.46 2ppb n LYS 1339Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2ppb n LYS 1339Cb 0.03 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2ppb n LYS 1339CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ppb n GLY 1340N 1.35 2.54 0.48 0.72 0.00 -0.50 -4.68 105.19 105.10 2ppb n GLY 1340Ca 0.02 -2.01 -0.18 0.00 0.00 0.00 0.00 46.02 43.85 2ppb n GLY 1340CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ppb h PRO 1341N 0.00 -1.03 -1.57 1.61 0.11 -1.88 -2.28 132.00 126.95 2ppb h PRO 1341Ca 0.00 0.07 0.46 0.00 0.11 0.00 0.00 66.00 66.64 2ppb h PRO 1341Cb 0.00 0.23 -0.07 0.00 0.11 0.00 0.00 31.00 31.27 2ppb h PRO 1341CO 0.00 -0.69 1.11 0.39 -0.21 0.00 0.00 178.00 178.60 2ppb n GLU 1342N -5.37 -0.00 0.04 1.05 4.71 -1.26 0.21 120.64 120.02 2ppb n GLU 1342Ca -0.13 0.92 -0.07 0.00 -0.01 0.00 0.00 57.16 57.87 2ppb n GLU 1342Cb 0.46 -2.07 -0.04 0.00 -1.01 0.00 0.00 31.44 28.78 2ppb n GLU 1342CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ppb h ALA 1343N 0.90 -0.21 0.12 0.62 0.00 -1.69 -3.08 119.26 115.93 2ppb h ALA 1343Ca 0.77 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.55 2ppb h ALA 1343Cb 3.02 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 20.84 2ppb h ALA 1343CO -0.07 -0.22 -0.53 0.28 0.00 0.00 0.00 179.25 178.71 2ppb h VAL 1344N -1.01 0.00 -0.85 0.00 2.07 -0.10 0.48 116.25 116.84 2ppb h VAL 1344Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2ppb h VAL 1344Cb 0.36 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.01 2ppb h VAL 1344CO 0.03 0.00 -0.55 -0.33 0.02 0.00 0.00 177.57 176.75 2ppb h GLU 1345N -0.76 -0.09 -0.75 1.57 5.08 -1.66 0.52 114.58 118.47 2ppb h GLU 1345Ca -0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2ppb h GLU 1345Cb 0.77 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 2ppb h GLU 1345CO -0.29 -0.06 0.39 -0.09 -1.00 0.00 0.00 179.01 177.96 2ppb h ARG 1346N -0.10 0.64 0.32 2.33 9.65 -1.33 -1.45 114.38 124.44 2ppb h ARG 1346Ca 0.17 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 2ppb h ARG 1346Cb 0.48 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2ppb h ARG 1346CO -0.86 0.42 -0.15 -0.92 2.80 0.00 0.00 179.97 181.26 2ppb h TYR 1347N 0.65 -0.40 0.06 2.20 3.20 0.42 -2.54 116.97 120.56 2ppb h TYR 1347Ca 0.37 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.25 2ppb h TYR 1347Cb 0.39 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2ppb h TYR 1347CO -0.09 -0.21 -0.47 -0.07 -1.64 0.00 0.00 178.16 175.67 2ppb h LEU 1348N -0.49 -1.44 -0.03 2.82 -0.00 0.20 0.37 115.31 116.75 2ppb h LEU 1348Ca -0.04 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2ppb h LEU 1348Cb 0.37 0.54 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2ppb h LEU 1348CO 0.07 -0.48 -0.02 0.52 -0.00 0.00 0.00 178.44 178.53 2ppb n VAL 1349N -5.12 -0.02 -0.30 1.22 0.31 -0.58 0.37 118.33 114.21 2ppb n VAL 1349Ca -0.07 1.46 -0.01 0.00 -0.01 0.00 0.00 64.34 65.71 2ppb n VAL 1349Cb 0.36 -1.94 0.12 0.00 -0.91 0.00 0.00 33.84 31.47 2ppb n VAL 1349CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ppb h GLU 1350N 0.00 0.98 0.00 5.55 3.07 -1.31 0.68 114.58 123.55 2ppb h GLU 1350Ca 0.00 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2ppb h GLU 1350Cb 0.01 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 2ppb h GLU 1350CO -0.02 0.65 -0.10 1.49 -1.40 0.00 0.00 179.01 179.62 2ppb h GLU 1351N 1.01 0.00 0.00 2.33 4.57 0.11 -0.71 114.58 121.89 2ppb h GLU 1351Ca 0.35 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.39 2ppb h GLU 1351Cb 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2ppb h GLU 1351CO -0.13 0.10 -0.54 0.82 -1.18 0.00 0.00 179.01 178.08 2ppb h ILE 1352N 0.00 1.45 -0.31 2.32 2.04 0.21 -3.26 117.51 119.96 2ppb h ILE 1352Ca -0.00 -2.07 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 2ppb h ILE 1352Cb 0.23 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 2ppb h ILE 1352CO 0.01 0.60 0.10 1.56 0.00 0.00 0.00 178.15 180.42 2ppb h GLN 1353N -0.19 0.44 -0.73 2.37 1.08 -0.46 -2.83 115.11 114.79 2ppb h GLN 1353Ca -0.07 -0.06 0.16 0.00 -1.45 0.00 0.00 58.65 57.23 2ppb h GLN 1353Cb 1.27 -0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.48 2ppb h GLN 1353CO 0.11 0.39 -0.07 0.87 -0.95 0.00 0.00 178.83 179.18 2ppb h LYS 1354N 0.44 0.06 0.21 1.46 1.79 -1.19 0.32 116.57 119.66 2ppb h LYS 1354Ca 0.11 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2ppb h LYS 1354Cb 0.13 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2ppb h LYS 1354CO -0.01 0.04 -0.10 0.28 -1.08 0.00 0.00 179.45 178.58 2ppb h VAL 1355N 0.06 0.83 -0.50 0.50 2.07 -1.64 -2.49 116.25 115.08 2ppb h VAL 1355Ca 0.38 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 2ppb h VAL 1355Cb 0.64 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2ppb h VAL 1355CO -0.69 0.05 0.17 1.88 0.02 0.00 0.00 177.57 179.00 2ppb h TYR 1356N -0.39 0.80 -0.05 1.57 -1.99 -1.27 -3.08 116.97 112.57 2ppb h TYR 1356Ca -0.03 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 2ppb h TYR 1356Cb 0.30 -0.23 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 2ppb h TYR 1356CO -0.03 0.69 0.03 0.00 -0.00 0.00 0.00 178.16 178.85 2ppb h ARG 1357N 0.68 0.07 0.00 4.88 3.08 -0.43 -2.16 114.38 120.49 2ppb h ARG 1357Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2ppb h ARG 1357Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2ppb h ARG 1357CO -0.01 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 2ppb n ALA 1358N -2.12 1.61 -0.94 0.04 0.00 -0.94 -1.68 120.51 116.48 2ppb n ALA 1358Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2ppb n ALA 1358Cb 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2ppb n ALA 1358CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ppb n GLN 1359N -1.03 1.06 0.00 0.00 0.00 -0.86 -4.95 117.38 111.60 2ppb n GLN 1359Ca 0.03 -1.24 0.00 0.00 -0.00 0.00 0.00 57.00 55.79 2ppb n GLN 1359Cb 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 30.24 29.45 2ppb n GLN 1359CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ppb n GLY 1360N -0.38 2.91 3.75 1.69 0.00 -0.68 -4.77 105.19 107.71 2ppb n GLY 1360Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2ppb n GLY 1360CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 1361N -2.87 3.64 -0.76 1.61 1.01 -0.90 -4.97 120.40 117.17 2ppb s VAL 1361Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.62 2ppb s VAL 1361Cb 0.00 -4.02 0.20 0.00 0.00 0.00 0.00 36.38 32.56 2ppb s VAL 1361CO 0.00 0.36 0.65 0.29 0.00 0.00 0.00 175.10 176.40 2ppb n LYS 1362N 1.46 2.25 -3.69 2.72 5.02 -1.26 -3.74 118.16 120.93 2ppb n LYS 1362Ca -0.01 -4.53 -0.37 0.00 -2.02 0.00 0.00 58.31 51.38 2ppb n LYS 1362Cb 0.45 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.08 2ppb n LYS 1362CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2ppb s LEU 1363N -1.69 4.43 0.32 -0.35 2.34 -1.26 -3.84 118.68 118.62 2ppb s LEU 1363Ca 0.29 0.71 -0.29 0.00 0.06 0.00 0.00 54.13 54.90 2ppb s LEU 1363Cb -0.01 -2.40 -0.10 0.00 -0.56 0.00 0.00 46.19 43.12 2ppb s LEU 1363CO -0.12 0.35 1.32 -2.28 -1.06 0.00 0.00 176.35 174.55 2ppb s HIS 1364N -1.09 3.05 0.39 3.48 5.65 -0.38 -4.92 115.29 121.46 2ppb s HIS 1364Ca 0.21 1.38 0.12 0.00 0.25 0.00 0.00 55.06 57.02 2ppb s HIS 1364Cb -0.14 -3.69 0.93 0.00 -1.18 0.00 0.00 32.58 28.49 2ppb s HIS 1364CO 0.10 -1.93 1.90 -0.44 -0.65 0.00 0.00 174.74 173.72 2ppb h ASP 1365N 3.57 0.52 -0.51 9.88 3.45 -1.93 -3.08 116.42 128.33 2ppb h ASP 1365Ca -0.49 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.05 2ppb h ASP 1365Cb 1.23 -0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 39.86 2ppb h ASP 1365CO 0.67 0.27 -0.30 0.29 -1.57 0.00 0.00 179.24 178.60 2ppb n LYS 1366N -4.51 -0.22 -0.03 3.56 5.02 -1.26 -1.31 118.16 119.41 2ppb n LYS 1366Ca 0.15 0.88 -0.09 0.00 -2.02 0.00 0.00 58.31 57.23 2ppb n LYS 1366Cb 0.48 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2ppb n LYS 1366CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ppb h HIS 1367N 0.00 -0.62 -0.21 2.13 3.86 -1.89 -0.29 115.15 118.13 2ppb h HIS 1367Ca 0.08 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2ppb h HIS 1367Cb 0.21 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 2ppb h HIS 1367CO -0.62 -0.31 0.13 0.82 0.86 0.00 0.00 177.93 178.80 2ppb h ILE 1368N -0.27 1.06 0.02 2.45 2.04 -1.37 -2.63 117.51 118.82 2ppb h ILE 1368Ca 0.12 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2ppb h ILE 1368Cb 0.45 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2ppb h ILE 1368CO -0.34 0.06 -0.01 -0.33 0.00 0.00 0.00 178.15 177.53 2ppb h GLU 1369N 0.29 -0.03 -0.63 2.37 4.39 -0.30 -1.49 114.58 119.18 2ppb h GLU 1369Ca 0.08 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.91 2ppb h GLU 1369Cb -0.01 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.53 2ppb h GLU 1369CO -0.02 0.26 -0.10 0.82 -1.16 0.00 0.00 179.01 178.81 2ppb h ILE 1370N -0.32 0.40 0.40 3.13 1.08 -0.73 -0.84 117.51 120.63 2ppb h ILE 1370Ca -0.00 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 2ppb h ILE 1370Cb 0.30 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 2ppb h ILE 1370CO 0.01 0.01 -0.19 0.58 -0.69 0.00 0.00 178.15 177.86 2ppb h VAL 1371N 0.04 0.00 -1.14 1.67 2.07 -1.49 -3.20 116.25 114.19 2ppb h VAL 1371Ca 0.32 -0.16 0.36 0.00 0.82 0.00 0.00 66.70 68.04 2ppb h VAL 1371Cb 0.50 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.15 2ppb h VAL 1371CO -0.62 0.00 0.71 1.62 0.02 0.00 0.00 177.57 179.31 2ppb h VAL 1372N -0.70 0.28 -0.33 2.57 3.04 -1.05 0.81 116.25 120.88 2ppb h VAL 1372Ca -0.06 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.62 2ppb h VAL 1372Cb 0.41 0.02 -0.07 0.00 -2.01 0.00 0.00 31.29 29.65 2ppb h VAL 1372CO 0.09 0.04 -0.12 -0.09 -1.01 0.00 0.00 177.57 176.48 2ppb h ARG 1373N 0.23 -0.06 -0.05 4.17 2.43 -1.16 0.46 114.38 120.40 2ppb h ARG 1373Ca 0.74 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.93 2ppb h ARG 1373Cb 2.02 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.58 2ppb h ARG 1373CO -0.45 -0.04 0.05 1.96 -1.51 0.00 0.00 179.97 179.98 2ppb h GLN 1374N -0.06 0.00 0.00 0.20 1.08 0.62 0.13 115.11 117.08 2ppb h GLN 1374Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2ppb h GLN 1374Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2ppb h GLN 1374CO -0.37 0.00 0.00 -1.33 -0.95 0.00 0.00 178.83 176.18 2ppb n MET 1375N -4.02 0.13 -1.83 1.46 2.81 0.16 -2.60 117.12 113.24 2ppb n MET 1375Ca -0.02 0.50 0.02 0.00 -1.81 0.00 0.00 57.70 56.39 2ppb n MET 1375Cb 0.15 -1.83 0.04 0.00 -0.71 0.00 0.00 33.22 30.87 2ppb n MET 1375CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2ppb n MET 1376N -2.10 0.74 0.00 0.03 2.81 0.41 -1.53 117.12 117.48 2ppb n MET 1376Ca 0.01 -2.61 0.07 0.00 -1.81 0.00 0.00 57.70 53.35 2ppb n MET 1376Cb 0.13 -0.66 0.39 0.00 -0.71 0.00 0.00 33.22 32.36 2ppb n MET 1376CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ppb n LYS 1377N 0.02 0.84 -4.35 0.03 4.81 -0.89 -4.80 118.16 113.82 2ppb n LYS 1377Ca 0.09 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.32 2ppb n LYS 1377Cb 1.01 -1.24 -0.11 0.00 0.02 0.00 0.00 35.03 34.71 2ppb n LYS 1377CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2ppb s TYR 1378N -2.00 1.80 0.14 5.64 1.51 -1.26 0.59 117.35 123.77 2ppb s TYR 1378Ca 0.20 -0.51 -0.19 0.00 -1.01 0.00 0.00 57.07 55.56 2ppb s TYR 1378Cb 0.09 -0.86 0.05 0.00 -0.11 0.00 0.00 41.96 41.13 2ppb s TYR 1378CO 0.15 0.38 0.48 0.14 -1.11 0.00 0.00 175.55 175.59 2ppb s VAL 1379N -2.52 0.04 0.26 0.71 -7.23 0.11 -3.55 120.40 108.22 2ppb s VAL 1379Ca 0.20 -0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2ppb s VAL 1379Cb -0.03 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.71 2ppb s VAL 1379CO 0.07 -0.19 0.55 -0.70 -0.31 0.00 0.00 175.10 174.53 2ppb s GLU 1380N -3.79 3.70 -0.09 4.82 2.12 -0.43 -0.23 118.70 124.79 2ppb s GLU 1380Ca 0.03 0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.50 2ppb s GLU 1380Cb 0.01 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 2ppb s GLU 1380CO -0.12 0.25 -0.16 0.08 -0.54 0.00 0.00 175.26 174.78 2ppb s VAL 1381N -1.98 2.84 0.00 3.70 1.01 -1.04 0.12 120.40 125.05 2ppb s VAL 1381Ca 0.45 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2ppb s VAL 1381Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2ppb s VAL 1381CO 0.26 0.55 0.13 0.35 0.00 0.00 0.00 175.10 176.40 2ppb n THR 1382N 3.10 0.00 -3.41 3.92 -2.24 0.94 -3.64 114.28 112.95 2ppb n THR 1382Ca -0.18 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 2ppb n THR 1382Cb 0.52 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.82 2ppb n THR 1382CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ppb s ASP 1383N -0.34 2.21 1.04 3.42 2.15 -0.99 -4.93 116.67 119.23 2ppb s ASP 1383Ca 0.00 -2.05 -0.12 0.00 0.43 0.00 0.00 52.55 50.80 2ppb s ASP 1383Cb 0.00 -0.06 0.21 0.00 -0.30 0.00 0.00 42.92 42.78 2ppb s ASP 1383CO 0.00 -0.28 1.07 -2.16 -0.17 0.00 0.00 175.17 173.63 2ppb s PRO 1384N 1.11 0.05 0.00 4.34 0.05 -1.26 -3.07 135.00 136.22 2ppb s PRO 1384Ca 0.19 0.68 0.00 0.00 0.05 0.00 0.00 61.00 61.92 2ppb s PRO 1384Cb -0.18 -1.68 0.00 0.00 0.05 0.00 0.00 34.50 32.69 2ppb s PRO 1384CO -0.02 -3.03 0.00 0.41 0.05 0.00 0.00 177.00 174.42 2ppb n GLY 1385N -0.43 -1.22 0.08 0.56 0.00 -1.26 -4.90 105.19 98.02 2ppb n GLY 1385Ca 0.05 0.30 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 2ppb n GLY 1385CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2ppb h ASP 1386N 0.00 0.07 -4.35 1.61 1.82 -1.96 -3.47 116.42 110.14 2ppb h ASP 1386Ca 0.00 -0.95 -0.46 0.00 -0.39 0.00 0.00 57.03 55.23 2ppb h ASP 1386Cb 0.00 -0.02 -0.24 0.00 0.68 0.00 0.00 39.33 39.75 2ppb h ASP 1386CO 0.00 1.10 -0.80 -0.55 -1.61 0.00 0.00 179.24 177.38 2ppb s SER 1387N -6.38 1.83 0.56 2.28 0.15 -1.26 -5.12 113.70 105.76 2ppb s SER 1387Ca -0.19 -0.53 -0.18 0.00 0.70 0.00 0.00 55.95 55.75 2ppb s SER 1387Cb -0.02 -0.10 -0.14 0.00 -1.71 0.00 0.00 66.02 64.05 2ppb s SER 1387CO 0.70 0.02 -0.05 0.54 1.20 0.00 0.00 173.24 175.65 2ppb n ARG 1388N 1.66 0.09 0.00 5.44 3.00 -1.26 -4.66 116.66 120.92 2ppb n ARG 1388Ca -0.19 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 2ppb n ARG 1388Cb 0.54 -1.14 0.00 0.00 0.00 0.00 0.00 32.46 31.86 2ppb n ARG 1388CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2ppb n LEU 1389N 2.16 0.00 -4.55 0.55 7.94 -1.26 -4.46 117.00 117.38 2ppb n LEU 1389Ca 0.08 0.40 -0.39 0.00 -1.11 0.00 0.00 56.01 54.99 2ppb n LEU 1389Cb 0.48 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.38 2ppb n LEU 1389CO 0.53 0.00 2.00 0.18 -1.11 0.00 0.00 177.39 178.99 2ppb n LEU 1390N -0.60 2.29 -3.63 -1.96 4.77 -1.24 -3.90 117.00 112.73 2ppb n LEU 1390Ca 0.00 -0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2ppb n LEU 1390Cb 0.00 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 39.53 2ppb n LEU 1390CO 0.00 -1.26 0.48 -1.61 -1.33 0.00 0.00 177.39 173.68 2ppb s GLU 1391N 7.82 0.73 -0.41 3.23 2.02 -1.26 -4.89 118.70 125.94 2ppb s GLU 1391Ca 1.03 0.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.85 2ppb s GLU 1391Cb -0.37 0.32 0.05 0.00 0.10 0.00 0.00 34.13 34.23 2ppb s GLU 1391CO 0.32 -0.10 0.25 0.20 0.02 0.00 0.00 175.26 175.95 2ppb s GLY 1392N 0.60 1.96 0.15 -1.39 0.00 -1.26 -2.50 107.32 104.89 2ppb s GLY 1392Ca -0.01 -1.92 0.03 0.00 0.00 0.00 0.00 44.72 42.82 2ppb s GLY 1392CO -0.05 0.92 -0.07 1.20 0.00 0.00 0.00 173.10 175.10 2ppb s GLN 1393N 1.53 1.04 -0.13 2.90 -0.21 0.68 -4.87 119.66 120.59 2ppb s GLN 1393Ca 0.03 -1.45 -0.39 0.00 0.02 0.00 0.00 55.36 53.56 2ppb s GLN 1393Cb -0.21 -0.48 -0.16 0.00 1.00 0.00 0.00 33.01 33.16 2ppb s GLN 1393CO 0.05 0.01 1.57 0.28 -2.12 0.00 0.00 175.29 175.09 2ppb n VAL 1394N -0.18 0.18 0.01 1.09 0.31 -1.26 0.06 118.33 118.53 2ppb n VAL 1394Ca -0.10 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.08 2ppb n VAL 1394Cb 0.61 -1.04 -0.06 0.00 -0.91 0.00 0.00 33.84 32.44 2ppb n VAL 1394CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ppb h LEU 1395N 6.08 -1.30 -1.27 7.52 6.46 -0.11 -2.51 115.31 130.18 2ppb h LEU 1395Ca -0.47 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 2ppb h LEU 1395Cb 1.33 0.53 -0.03 0.00 -0.73 0.00 0.00 40.66 41.75 2ppb h LEU 1395CO 0.88 -0.43 0.43 -0.08 -0.62 0.00 0.00 178.44 178.62 2ppb h GLU 1396N -0.50 0.92 0.00 1.25 4.22 -1.91 -0.22 114.58 118.34 2ppb h GLU 1396Ca 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ppb h GLU 1396Cb 0.63 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2ppb h GLU 1396CO -0.38 0.64 0.00 0.87 -2.18 0.00 0.00 179.01 177.96 2ppb h LYS 1397N 0.94 0.00 0.01 1.92 1.57 -1.81 -0.13 116.57 119.08 2ppb h LYS 1397Ca 0.25 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.75 2ppb h LYS 1397Cb -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2ppb h LYS 1397CO -0.05 0.00 -1.56 -1.49 -0.57 0.00 0.00 179.45 175.78 2ppb h TRP 1398N 0.00 0.04 0.00 -1.35 -0.00 -0.83 -3.04 115.95 110.78 2ppb h TRP 1398Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 2ppb h TRP 1398Cb 0.12 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 2ppb h TRP 1398CO 0.00 1.05 -0.07 -0.44 -0.00 0.00 0.00 178.44 178.98 2ppb h ASP 1399N 0.01 0.00 0.27 -3.49 3.32 -0.33 0.34 116.42 116.53 2ppb h ASP 1399Ca -0.23 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 2ppb h ASP 1399Cb 1.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 2ppb h ASP 1399CO 0.09 0.07 -0.13 0.58 -1.72 0.00 0.00 179.24 178.14 2ppb h VAL 1400N 0.00 0.40 0.39 -1.35 2.07 -1.20 -2.35 116.25 114.21 2ppb h VAL 1400Ca -0.00 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2ppb h VAL 1400Cb 0.23 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2ppb h VAL 1400CO 0.01 0.10 -0.44 -0.08 0.02 0.00 0.00 177.57 177.18 2ppb h GLU 1401N -1.00 -0.81 -0.85 1.57 4.22 -1.38 -2.31 114.58 114.02 2ppb h GLU 1401Ca -0.04 0.06 0.15 0.00 0.08 0.00 0.00 59.36 59.61 2ppb h GLU 1401Cb 0.44 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2ppb h GLU 1401CO 0.06 -0.54 0.44 0.00 -2.18 0.00 0.00 179.01 176.79 2ppb h ALA 1402N -0.98 1.28 -0.39 2.92 0.00 -1.09 -0.15 119.26 120.85 2ppb h ALA 1402Ca -0.05 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ppb h ALA 1402Cb 0.74 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2ppb h ALA 1402CO -0.08 -0.09 0.24 1.25 0.00 0.00 0.00 179.25 180.56 2ppb h LEU 1403N 0.62 0.47 0.00 0.00 6.46 -1.14 -2.87 115.31 118.85 2ppb h LEU 1403Ca 0.46 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 2ppb h LEU 1403Cb 0.66 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2ppb h LEU 1403CO -0.36 0.38 -0.61 0.78 -0.62 0.00 0.00 178.44 178.01 2ppb h ASN 1404N 0.51 0.00 1.31 1.25 4.21 -0.99 -2.19 115.58 119.68 2ppb h ASN 1404Ca 0.14 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2ppb h ASN 1404Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2ppb h ASN 1404CO -0.03 0.02 -0.31 -0.08 -1.29 0.00 0.00 177.43 175.75 2ppb h GLU 1405N 0.00 0.00 0.00 0.81 4.81 -0.97 -0.49 114.58 118.73 2ppb h GLU 1405Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2ppb h GLU 1405Cb 0.94 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 2ppb h GLU 1405CO 0.00 0.00 -1.76 -2.13 -0.73 0.00 0.00 179.01 174.39 2ppb n ARG 1406N -2.39 1.65 -0.08 1.92 0.63 -1.09 -4.29 116.66 113.01 2ppb n ARG 1406Ca 0.04 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 2ppb n ARG 1406Cb 0.46 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 2ppb n ARG 1406CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2ppb n LEU 1407N -2.56 1.88 0.01 6.15 7.94 -0.82 -4.80 117.00 124.79 2ppb n LEU 1407Ca -0.20 0.47 -0.01 0.00 -1.11 0.00 0.00 56.01 55.17 2ppb n LEU 1407Cb 0.83 -0.81 -0.00 0.00 0.53 0.00 0.00 43.42 43.97 2ppb n LEU 1407CO 0.20 -0.34 0.07 0.40 -1.11 0.00 0.00 177.39 176.61 2ppb h ILE 1408N -1.00 0.00 -3.29 1.96 2.04 -1.70 -3.45 117.51 112.07 2ppb h ILE 1408Ca -0.02 -0.24 -0.58 0.00 1.00 0.00 0.00 64.86 65.02 2ppb h ILE 1408Cb 0.79 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 2ppb h ILE 1408CO -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.05 2ppb s ALA 1409N -3.01 3.49 1.06 1.87 0.00 -0.20 -5.04 121.76 119.93 2ppb s ALA 1409Ca -0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 2ppb s ALA 1409Cb 0.00 -2.68 0.17 0.00 0.00 0.00 0.00 23.12 20.62 2ppb s ALA 1409CO 0.02 0.10 0.86 0.39 0.00 0.00 0.00 175.76 177.13 2ppb n GLU 1410N 3.17 -1.47 -1.22 0.00 1.02 -1.26 -3.63 120.64 117.25 2ppb n GLU 1410Ca -0.07 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 2ppb n GLU 1410Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2ppb n GLU 1410CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ppb n GLY 1411N -1.54 -2.35 3.55 0.62 0.00 -1.26 -4.89 105.19 99.33 2ppb n GLY 1411Ca 0.11 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2ppb n GLY 1411CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppb s LYS 1412N -0.40 3.18 -1.11 1.61 2.20 -1.26 -4.67 119.74 119.30 2ppb s LYS 1412Ca 0.00 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.17 2ppb s LYS 1412Cb 0.00 -4.53 0.26 0.00 -1.51 0.00 0.00 37.83 32.05 2ppb s LYS 1412CO 0.00 -2.30 1.14 0.99 -0.36 0.00 0.00 175.35 174.82 2ppb s THR 1413N 6.19 5.84 -0.04 3.43 2.01 -1.26 -5.03 115.64 126.78 2ppb s THR 1413Ca 0.43 -3.24 -0.37 0.00 0.31 0.00 0.00 61.69 58.82 2ppb s THR 1413Cb -0.07 -4.64 -0.15 0.00 0.01 0.00 0.00 72.50 67.65 2ppb s THR 1413CO 0.09 -1.24 1.61 -2.65 -0.69 0.00 0.00 174.62 171.73 2ppb n PRO 1414N 3.23 1.55 -3.12 4.92 -0.02 -1.26 -4.86 135.00 135.43 2ppb n PRO 1414Ca 0.25 0.56 -0.44 0.00 -2.02 0.00 0.00 63.50 61.85 2ppb n PRO 1414Cb 0.40 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2ppb n PRO 1414CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2ppb s VAL 1415N 2.12 5.48 -0.14 -1.45 -7.23 -1.26 -4.65 120.40 113.27 2ppb s VAL 1415Ca 0.89 -3.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.76 2ppb s VAL 1415Cb -0.88 -4.78 -0.05 0.00 0.56 0.00 0.00 36.38 31.23 2ppb s VAL 1415CO 0.51 -1.43 1.80 0.00 -0.31 0.00 0.00 175.10 175.67 2ppb s ALA 1416N 0.29 3.30 0.49 1.32 0.00 -1.17 -4.90 121.76 121.09 2ppb s ALA 1416Ca 0.37 0.77 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2ppb s ALA 1416Cb -0.06 -3.87 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 2ppb s ALA 1416CO -0.03 -1.93 0.06 1.67 0.00 0.00 0.00 175.76 175.52 2ppb s TRP 1417N 5.39 1.98 -0.07 0.00 -2.14 -1.26 -0.04 118.94 122.79 2ppb s TRP 1417Ca 0.80 -0.88 -0.01 0.00 2.66 0.00 0.00 56.10 58.67 2ppb s TRP 1417Cb -0.31 -1.69 0.03 0.00 -3.10 0.00 0.00 33.47 28.40 2ppb s TRP 1417CO 0.33 0.19 -0.02 0.21 -2.66 0.00 0.00 176.95 174.99 2ppb s LYS 1418N -3.90 0.78 -0.14 3.25 2.20 0.12 -4.87 119.74 117.18 2ppb s LYS 1418Ca 0.15 0.01 -0.36 0.00 -0.36 0.00 0.00 55.97 55.41 2ppb s LYS 1418Cb 0.03 -1.02 -0.13 0.00 -1.51 0.00 0.00 37.83 35.19 2ppb s LYS 1418CO 0.08 -0.25 1.84 -2.30 -0.36 0.00 0.00 175.35 174.36 2ppb n PRO 1419N 4.86 1.88 -4.01 4.03 -0.02 -1.26 -1.32 135.00 139.16 2ppb n PRO 1419Ca -0.12 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 2ppb n PRO 1419Cb 0.50 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 2ppb n PRO 1419CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ppb s LEU 1420N 3.88 3.89 -0.34 2.45 0.20 -1.23 -4.88 118.68 122.65 2ppb s LEU 1420Ca 0.94 0.15 -0.12 0.00 0.69 0.00 0.00 54.13 55.79 2ppb s LEU 1420Cb -0.80 -1.97 -0.00 0.00 -0.43 0.00 0.00 46.19 42.98 2ppb s LEU 1420CO 0.56 0.22 0.21 -0.22 -0.29 0.00 0.00 176.35 176.83 2ppb s LEU 1421N 0.07 4.47 0.25 -0.68 2.96 -1.26 -4.66 118.68 119.83 2ppb s LEU 1421Ca 0.06 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 2ppb s LEU 1421Cb -0.12 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2ppb s LEU 1421CO 0.01 -0.27 -0.05 0.00 -1.32 0.00 0.00 176.35 174.72 2ppb s MET 1422N 1.65 1.43 0.35 1.98 0.23 -0.58 -4.94 119.30 119.41 2ppb s MET 1422Ca 0.05 -1.71 0.07 0.00 -1.03 0.00 0.00 55.69 53.07 2ppb s MET 1422Cb -0.18 -0.93 -0.01 0.00 -1.53 0.00 0.00 34.83 32.18 2ppb s MET 1422CO 0.08 0.00 0.44 0.20 -2.03 0.00 0.00 175.02 173.72 2ppb s GLY 1423N -3.37 1.72 0.40 3.16 0.00 -1.26 -4.40 107.32 103.58 2ppb s GLY 1423Ca 0.28 -1.56 0.22 0.00 0.00 0.00 0.00 44.72 43.66 2ppb s GLY 1423CO 0.10 -1.46 1.71 -0.24 0.00 0.00 0.00 173.10 173.21 2ppb h VAL 1424N 0.95 0.38 0.11 1.40 3.04 -1.72 0.28 116.25 120.68 2ppb h VAL 1424Ca -0.44 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2ppb h VAL 1424Cb 1.26 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2ppb h VAL 1424CO 0.53 0.05 -0.05 0.74 -1.01 0.00 0.00 177.57 177.83 2ppb h THR 1425N 0.29 1.02 -0.87 3.17 2.02 -1.82 -3.02 112.91 113.71 2ppb h THR 1425Ca 0.68 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.55 2ppb h THR 1425Cb 1.85 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 69.97 2ppb h THR 1425CO -0.36 0.28 0.57 0.50 0.37 0.00 0.00 175.52 176.88 2ppb h LYS 1426N -0.84 1.14 -0.20 6.66 3.64 -1.48 0.16 116.57 125.65 2ppb h LYS 1426Ca -0.01 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2ppb h LYS 1426Cb 0.57 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2ppb h LYS 1426CO 0.02 0.76 -0.27 1.03 -2.27 0.00 0.00 179.45 178.72 2ppb h SER 1427N 1.17 0.38 -0.05 4.20 0.87 -0.62 0.14 113.55 119.65 2ppb h SER 1427Ca 0.32 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 2ppb h SER 1427Cb -0.13 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2ppb h SER 1427CO -0.07 0.65 -0.66 0.00 -0.53 0.00 0.00 176.83 176.21 2ppb h ALA 1428N 1.38 0.15 0.02 6.23 0.00 -1.30 -3.08 119.26 122.67 2ppb h ALA 1428Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.42 2ppb h ALA 1428Cb 0.65 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2ppb h ALA 1428CO 0.05 0.45 -0.28 -0.07 0.00 0.00 0.00 179.25 179.40 2ppb h LEU 1429N 0.13 -0.82 -7.64 0.00 4.07 -0.82 -3.34 115.31 106.89 2ppb h LEU 1429Ca -0.07 0.11 -0.73 0.00 0.08 0.00 0.00 57.88 57.27 2ppb h LEU 1429Cb 1.33 0.33 -0.32 0.00 1.08 0.00 0.00 40.66 43.08 2ppb h LEU 1429CO 0.13 -0.35 -0.21 -0.94 -1.08 0.00 0.00 178.44 175.99 2ppb s SER 1430N -4.86 5.73 0.46 -0.43 1.04 0.47 -4.80 113.70 111.30 2ppb s SER 1430Ca -0.15 -2.84 0.03 0.00 0.48 0.00 0.00 55.95 53.46 2ppb s SER 1430Cb 0.09 -1.97 -0.02 0.00 0.10 0.00 0.00 66.02 64.22 2ppb s SER 1430CO 0.66 -0.43 0.07 0.28 0.98 0.00 0.00 173.24 174.80 2ppb s THR 1431N -0.04 0.86 0.00 2.02 -1.32 -1.17 -4.57 115.64 111.43 2ppb s THR 1431Ca 0.18 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 2ppb s THR 1431Cb -0.17 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2ppb s THR 1431CO -0.05 0.00 0.48 1.17 -2.21 0.00 0.00 174.62 174.00 2ppb n LYS 1432N -1.08 0.00 -1.17 7.08 4.81 -1.26 -4.78 118.16 121.77 2ppb n LYS 1432Ca -0.12 0.46 -0.36 0.00 -0.87 0.00 0.00 58.31 57.42 2ppb n LYS 1432Cb 0.66 -1.21 0.07 0.00 0.02 0.00 0.00 35.03 34.57 2ppb n LYS 1432CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2ppb n SER 1433N -1.89 -1.78 -0.09 3.14 3.41 -1.26 -4.92 113.62 110.23 2ppb n SER 1433Ca 0.00 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 59.03 2ppb n SER 1433Cb 0.00 -1.17 -0.14 0.00 -0.26 0.00 0.00 64.21 62.65 2ppb n SER 1433CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2ppb n TRP 1434N -2.55 0.00 -0.28 7.33 2.14 -1.26 -4.33 117.44 118.50 2ppb n TRP 1434Ca 0.09 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.74 2ppb n TRP 1434Cb 0.51 -0.89 0.21 0.00 -0.81 0.00 0.00 31.31 30.32 2ppb n TRP 1434CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 2ppb h LEU 1435N 0.00 -0.23 -0.93 5.67 4.07 -1.96 0.79 115.31 122.71 2ppb h LEU 1435Ca -0.50 0.20 -0.11 0.00 0.08 0.00 0.00 57.88 57.56 2ppb h LEU 1435Cb 2.07 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 44.12 2ppb h LEU 1435CO 0.01 -0.17 -0.39 -1.28 -1.08 0.00 0.00 178.44 175.52 2ppb h SER 1436N 0.14 0.30 0.97 -0.43 0.87 -1.94 -2.83 113.55 110.63 2ppb h SER 1436Ca 0.47 -0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 2ppb h SER 1436Cb 0.87 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2ppb h SER 1436CO -0.67 0.66 -0.62 0.00 -0.53 0.00 0.00 176.83 175.68 2ppb h ALA 1437N 1.35 0.76 0.00 6.23 0.00 -0.06 -2.93 119.26 124.61 2ppb h ALA 1437Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ppb h ALA 1437Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ppb h ALA 1437CO 0.06 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.09 2ppb n ALA 1438N -2.32 1.45 -0.03 0.00 0.00 0.22 -3.28 120.51 116.54 2ppb n ALA 1438Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 2ppb n ALA 1438Cb 0.69 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 2ppb n ALA 1438CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ppb h SER 1439N 0.00 -0.03 0.00 0.00 0.02 -1.52 -3.39 113.55 108.63 2ppb h SER 1439Ca 0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2ppb h SER 1439Cb 0.24 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2ppb h SER 1439CO 0.00 0.72 0.00 0.33 -1.14 0.00 0.00 176.83 176.74 2ppb n PHE 1440N -4.74 0.00 0.00 3.45 -0.00 -1.21 -4.86 117.46 110.11 2ppb n PHE 1440Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 2ppb n PHE 1440Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 2ppb n PHE 1440CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2ppb n GLN 1441N -1.78 0.00 -3.97 -4.13 0.00 -1.25 -4.62 117.38 101.63 2ppb n GLN 1441Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.67 2ppb n GLN 1441Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.10 2ppb n GLN 1441CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2ppb s ASN 1442N -2.66 4.75 0.48 1.69 3.84 -1.26 -4.90 114.94 116.88 2ppb s ASN 1442Ca 0.00 -1.53 0.19 0.00 0.21 0.00 0.00 52.86 51.72 2ppb s ASN 1442Cb 0.00 -1.65 1.20 0.00 -0.55 0.00 0.00 41.25 40.25 2ppb s ASN 1442CO 0.00 -0.28 1.99 0.71 -2.79 0.00 0.00 177.10 176.73 2ppb h THR 1443N 6.59 0.83 0.03 -5.21 1.35 -1.81 -0.08 112.91 114.60 2ppb h THR 1443Ca -0.17 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2ppb h THR 1443Cb 1.05 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 2ppb h THR 1443CO 0.52 0.04 -0.04 0.74 -0.25 0.00 0.00 175.52 176.53 2ppb h THR 1444N 0.21 0.91 0.14 6.82 2.02 -1.93 -2.94 112.91 118.14 2ppb h THR 1444Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 2ppb h THR 1444Cb 0.72 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ppb h THR 1444CO -0.05 0.00 -0.07 -0.74 0.37 0.00 0.00 175.52 175.03 2ppb h HIS 1445N -0.08 -0.18 -0.39 3.16 6.17 -1.71 -3.13 115.15 118.99 2ppb h HIS 1445Ca 0.01 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.16 2ppb h HIS 1445Cb 0.08 0.06 -0.07 0.00 2.52 0.00 0.00 27.41 30.00 2ppb h HIS 1445CO -0.10 -0.11 -0.10 0.28 0.71 0.00 0.00 177.93 178.61 2ppb n VAL 1446N -3.65 -0.17 0.08 5.26 0.31 -0.12 0.53 118.33 120.58 2ppb n VAL 1446Ca -0.02 0.90 -0.22 0.00 -0.01 0.00 0.00 64.34 64.98 2ppb n VAL 1446Cb 0.08 -1.23 -0.13 0.00 -0.91 0.00 0.00 33.84 31.64 2ppb n VAL 1446CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ppb h LEU 1447N 0.00 0.81 -0.31 7.52 4.07 -1.67 -2.71 115.31 123.02 2ppb h LEU 1447Ca 0.18 -0.84 0.06 0.00 0.08 0.00 0.00 57.88 57.37 2ppb h LEU 1447Cb 0.28 -0.26 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 2ppb h LEU 1447CO -0.40 1.57 -0.39 0.74 -1.08 0.00 0.00 178.44 178.88 2ppb h THR 1448N 0.17 0.17 -0.04 0.22 2.02 0.15 0.80 112.91 116.39 2ppb h THR 1448Ca -0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2ppb h THR 1448Cb 1.86 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2ppb h THR 1448CO 0.22 0.00 -0.00 -0.08 0.37 0.00 0.00 175.52 176.03 2ppb h GLU 1449N -0.35 0.07 -0.52 6.66 4.57 -1.60 -2.29 114.58 121.13 2ppb h GLU 1449Ca 0.13 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.43 2ppb h GLU 1449Cb 0.58 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2ppb h GLU 1449CO -0.50 0.37 0.46 0.00 -1.18 0.00 0.00 179.01 178.16 2ppb h ALA 1450N 0.70 2.32 0.01 2.92 0.00 -1.13 -1.79 119.26 122.30 2ppb h ALA 1450Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ppb h ALA 1450Cb 0.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ppb h ALA 1450CO 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 179.25 178.52 2ppb h ALA 1451N 1.56 -0.03 -0.77 0.00 0.00 -0.66 -2.48 119.26 116.88 2ppb h ALA 1451Ca 0.24 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2ppb h ALA 1451Cb 1.17 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2ppb h ALA 1451CO -0.00 -0.03 -0.23 -0.89 0.00 0.00 0.00 179.25 178.10 2ppb n ILE 1452N -3.68 -0.35 -3.23 0.00 -0.00 -0.88 -2.35 119.36 108.86 2ppb n ILE 1452Ca -0.00 1.77 -0.46 0.00 -0.00 0.00 0.00 62.75 64.06 2ppb n ILE 1452Cb 0.01 -2.41 -0.04 0.00 -0.00 0.00 0.00 39.64 37.19 2ppb n ILE 1452CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ppb s ALA 1453N -5.87 3.60 -0.96 -1.39 0.00 -0.70 -4.57 121.76 111.87 2ppb s ALA 1453Ca -0.11 -2.51 -0.20 0.00 0.00 0.00 0.00 51.96 49.14 2ppb s ALA 1453Cb 0.19 -3.40 -0.26 0.00 0.00 0.00 0.00 23.12 19.64 2ppb s ALA 1453CO 0.58 -2.18 2.41 0.41 0.00 0.00 0.00 175.76 176.97 2ppb n GLY 1454N 5.15 -0.44 3.58 0.00 0.00 -0.99 -4.64 105.19 107.86 2ppb n GLY 1454Ca -0.09 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 2ppb n GLY 1454CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ppb s LYS 1455N 8.00 3.85 -0.67 1.61 2.20 -0.93 -4.92 119.74 128.89 2ppb s LYS 1455Ca 1.30 -0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 56.67 2ppb s LYS 1455Cb -0.94 -3.72 0.09 0.00 -1.51 0.00 0.00 37.83 31.75 2ppb s LYS 1455CO 0.49 -0.43 0.91 0.15 -0.36 0.00 0.00 175.35 176.11 2ppb s LYS 1456N 2.20 3.14 -0.89 4.03 1.02 -1.25 -3.80 119.74 124.19 2ppb s LYS 1456Ca 0.17 -1.06 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 2ppb s LYS 1456Cb -0.16 -4.30 -0.05 0.00 -0.52 0.00 0.00 37.83 32.80 2ppb s LYS 1456CO 0.11 -1.74 1.98 0.34 -0.92 0.00 0.00 175.35 175.12 2ppb s ASP 1457N 3.66 5.06 0.14 2.83 -1.08 0.17 -4.84 116.67 122.60 2ppb s ASP 1457Ca 0.20 -0.60 -0.31 0.00 -0.52 0.00 0.00 52.55 51.32 2ppb s ASP 1457Cb -0.18 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.63 2ppb s ASP 1457CO 0.07 -2.81 1.67 -1.61 0.52 0.00 0.00 175.17 173.01 2ppb s GLU 1458N 7.13 4.18 -0.63 4.34 0.41 -1.26 -3.68 118.70 129.19 2ppb s GLU 1458Ca 0.72 2.44 -0.24 0.00 -0.41 0.00 0.00 54.97 57.48 2ppb s GLU 1458Cb -0.07 -3.35 0.06 0.00 -1.78 0.00 0.00 34.13 28.98 2ppb s GLU 1458CO 0.00 -0.71 1.00 -0.51 -0.49 0.00 0.00 175.26 174.55 2ppb s LEU 1459N 1.87 4.12 -0.07 1.80 1.43 -1.17 -4.93 118.68 121.73 2ppb s LEU 1459Ca 0.74 -0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2ppb s LEU 1459Cb -0.44 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.22 2ppb s LEU 1459CO 0.33 -1.43 0.19 0.27 0.23 0.00 0.00 176.35 175.94 2ppb s ILE 1460N 4.26 -0.01 0.00 -0.59 -4.36 -1.26 -4.98 121.20 114.26 2ppb s ILE 1460Ca 0.27 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 2ppb s ILE 1460Cb -0.14 -0.28 0.00 0.00 1.25 0.00 0.00 42.46 43.29 2ppb s ILE 1460CO 0.14 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.94 2ppb n GLY 1461N 3.18 2.33 0.10 6.27 0.00 -1.26 -4.84 105.19 110.97 2ppb n GLY 1461Ca -0.15 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 2ppb n GLY 1461CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ppb h LEU 1462N 0.00 0.20 0.00 0.99 3.38 -1.85 -3.24 115.31 114.79 2ppb h LEU 1462Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ppb h LEU 1462Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2ppb h LEU 1462CO 0.00 1.35 0.00 1.17 0.09 0.00 0.00 178.44 181.05 2ppb n LYS 1463N -3.27 0.00 -0.14 1.13 3.00 -1.26 -1.11 118.16 116.51 2ppb n LYS 1463Ca -0.20 0.70 -0.04 0.00 -0.00 0.00 0.00 58.31 58.76 2ppb n LYS 1463Cb 1.04 -1.46 0.02 0.00 0.00 0.00 0.00 35.03 34.64 2ppb n LYS 1463CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2ppb h GLU 1464N 0.00 0.00 0.00 1.64 4.11 -1.90 -0.48 114.58 117.95 2ppb h GLU 1464Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ppb h GLU 1464Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ppb h GLU 1464CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.37 2ppb n ASN 1465N -5.33 0.07 0.08 3.06 4.05 -1.14 -2.09 115.26 113.97 2ppb n ASN 1465Ca 0.03 0.52 -0.20 0.00 0.45 0.00 0.00 54.58 55.39 2ppb n ASN 1465Cb 0.24 -0.54 -0.15 0.00 1.23 0.00 0.00 39.78 40.57 2ppb n ASN 1465CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2ppb h VAL 1466N 0.00 1.11 -0.93 3.44 2.07 0.53 -3.00 116.25 119.46 2ppb h VAL 1466Ca 0.00 -2.70 0.09 0.00 0.82 0.00 0.00 66.70 64.90 2ppb h VAL 1466Cb 0.18 2.80 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 2ppb h VAL 1466CO 0.00 0.83 0.60 0.40 0.02 0.00 0.00 177.57 179.42 2ppb h ILE 1467N 0.09 1.00 0.00 4.57 2.04 -1.30 0.15 117.51 124.06 2ppb h ILE 1467Ca -0.27 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2ppb h ILE 1467Cb 2.06 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2ppb h ILE 1467CO 0.18 0.18 -0.13 0.25 0.00 0.00 0.00 178.15 178.63 2ppb h LEU 1468N 0.98 0.00 0.00 1.44 6.46 -1.67 -3.46 115.31 119.06 2ppb h LEU 1468Ca 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 2ppb h LEU 1468Cb 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2ppb h LEU 1468CO -0.18 0.13 0.00 0.61 -0.62 0.00 0.00 178.44 178.38 2ppb n GLY 1469N -0.09 0.49 3.91 3.75 0.00 0.52 -5.03 105.19 108.74 2ppb n GLY 1469Ca -0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 2ppb n GLY 1469CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ppb s ARG 1470N -1.35 3.55 0.77 1.61 3.52 -1.13 -5.05 118.95 120.87 2ppb s ARG 1470Ca 0.00 0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.53 2ppb s ARG 1470Cb 0.00 -2.46 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2ppb s ARG 1470CO 0.00 -0.08 0.73 -0.11 -0.81 0.00 0.00 175.30 175.03 2ppb n LEU 1471N -1.99 1.93 -4.72 -0.88 7.94 -1.26 -4.58 117.00 113.43 2ppb n LEU 1471Ca -0.01 0.57 -0.42 0.00 -1.11 0.00 0.00 56.01 55.04 2ppb n LEU 1471Cb 0.55 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.15 2ppb n LEU 1471CO 0.51 -2.69 0.68 -0.63 -1.11 0.00 0.00 177.39 174.16 2ppb s ILE 1472N -2.00 4.63 -0.09 1.96 -1.09 -1.26 -4.89 121.20 118.46 2ppb s ILE 1472Ca 0.67 2.03 0.22 0.00 -2.23 0.00 0.00 60.65 61.35 2ppb s ILE 1472Cb -0.32 -4.30 0.22 0.00 -1.58 0.00 0.00 42.46 36.49 2ppb s ILE 1472CO 0.56 0.24 1.67 -0.65 -1.23 0.00 0.00 174.94 175.53 2ppb h PRO 1473N 6.15 0.00 -6.02 2.79 0.11 -1.82 -3.17 132.00 130.03 2ppb h PRO 1473Ca -0.42 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 2ppb h PRO 1473Cb 1.22 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 2ppb h PRO 1473CO 0.74 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.73 2ppb s ALA 1474N -3.57 2.03 0.00 -0.75 0.00 -1.26 -2.90 121.76 115.30 2ppb s ALA 1474Ca -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2ppb s ALA 1474Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2ppb s ALA 1474CO 0.20 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2ppb n GLY 1475N 0.39 0.92 0.08 0.00 0.00 0.35 -3.91 105.19 103.03 2ppb n GLY 1475Ca -0.14 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 2ppb n GLY 1475CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ppb h THR 1476N 0.00 0.92 -0.00 2.61 2.02 -1.84 -3.25 112.91 113.37 2ppb h THR 1476Ca 0.00 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.44 2ppb h THR 1476Cb 0.00 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2ppb h THR 1476CO 0.00 0.57 -0.01 0.61 0.37 0.00 0.00 175.52 177.06 2ppb n GLY 1477N 1.57 -1.00 3.68 2.16 0.00 -1.20 -2.83 105.19 107.58 2ppb n GLY 1477Ca -0.16 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 2ppb n GLY 1477CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ppb n SER 1478N -0.99 3.41 0.22 1.61 3.41 -1.14 -4.24 113.62 115.90 2ppb n SER 1478Ca 0.21 1.05 0.11 0.00 -0.26 0.00 0.00 58.87 59.97 2ppb n SER 1478Cb 0.17 -1.45 0.60 0.00 -0.26 0.00 0.00 64.21 63.26 2ppb n SER 1478CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2ppb h ASP 1479N 7.00 0.00 0.69 4.04 3.45 -1.88 0.61 116.42 130.33 2ppb h ASP 1479Ca -0.46 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.87 2ppb h ASP 1479Cb 1.25 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 2ppb h ASP 1479CO 0.92 0.00 -0.64 0.15 -1.57 0.00 0.00 179.24 178.10 2ppb h PHE 1480N 0.00 0.00 0.00 4.55 3.57 -1.91 -3.37 116.94 119.79 2ppb h PHE 1480Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ppb h PHE 1480Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2ppb h PHE 1480CO 0.00 0.64 0.00 0.28 -2.23 0.00 0.00 178.31 177.00 2ppb n VAL 1481N -3.72 0.18 -0.23 1.41 0.31 0.16 -4.73 118.33 111.70 2ppb n VAL 1481Ca -0.01 -0.30 0.20 0.00 -0.01 0.00 0.00 64.34 64.22 2ppb n VAL 1481Cb 0.64 1.25 0.53 0.00 -0.91 0.00 0.00 33.84 35.36 2ppb n VAL 1481CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2ppb h ARG 1482N 0.00 0.35 -4.75 5.55 3.08 0.09 -3.35 114.38 115.36 2ppb h ARG 1482Ca 0.00 -0.02 -0.68 0.00 0.07 0.00 0.00 59.98 59.34 2ppb h ARG 1482Cb 0.50 -0.08 -0.33 0.00 0.08 0.00 0.00 29.97 30.14 2ppb h ARG 1482CO 0.00 0.23 -0.69 -0.06 -1.07 0.00 0.00 179.97 178.39 2ppb s PHE 1483N -5.38 3.29 -0.28 3.04 0.40 -1.26 -5.01 117.98 112.78 2ppb s PHE 1483Ca -0.08 -1.90 -0.11 0.00 -0.60 0.00 0.00 56.93 54.25 2ppb s PHE 1483Cb 0.22 -2.19 0.11 0.00 0.51 0.00 0.00 43.02 41.67 2ppb s PHE 1483CO 0.78 -0.81 0.61 0.99 0.70 0.00 0.00 175.22 177.49 2ppb s THR 1484N 1.25 -0.72 0.22 0.64 2.01 -1.26 -5.03 115.64 112.75 2ppb s THR 1484Ca -0.04 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.06 2ppb s THR 1484Cb -0.20 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2ppb s THR 1484CO -0.01 0.01 0.08 -1.10 -0.69 0.00 0.00 174.62 172.91 2ppb s GLN 1485N 2.56 2.61 0.09 4.92 -0.21 -1.26 -5.13 119.66 123.25 2ppb s GLN 1485Ca -0.06 -1.14 0.10 0.00 0.02 0.00 0.00 55.36 54.27 2ppb s GLN 1485Cb -0.11 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2ppb s GLN 1485CO -0.18 0.42 -0.25 0.08 -2.12 0.00 0.00 175.29 173.23 2ppb s VAL 1486N -2.03 2.30 0.06 1.09 1.01 -1.26 -5.14 120.40 116.43 2ppb s VAL 1486Ca 0.31 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.74 2ppb s VAL 1486Cb -0.08 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2ppb s VAL 1486CO 0.22 0.22 -0.05 -0.69 0.00 0.00 0.00 175.10 174.79 2ppb s VAL 1487N -0.96 0.43 -0.13 2.92 1.01 -1.26 -5.13 120.40 117.29 2ppb s VAL 1487Ca 0.13 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.54 2ppb s VAL 1487Cb -0.10 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2ppb s VAL 1487CO 0.05 -0.77 -0.17 -1.81 0.00 0.00 0.00 175.10 172.40 2ppb s ASP 1488N -2.51 3.61 0.63 3.32 1.01 -1.26 -5.01 116.67 116.46 2ppb s ASP 1488Ca 0.02 -0.45 0.21 0.00 0.71 0.00 0.00 52.55 53.04 2ppb s ASP 1488Cb 0.01 -1.53 0.99 0.00 1.01 0.00 0.00 42.92 43.40 2ppb s ASP 1488CO -0.05 0.14 1.52 1.56 0.21 0.00 0.00 175.17 178.55 2ppb h GLN 1489N 6.89 0.00 -0.19 8.23 1.08 -2.01 1.07 115.11 130.20 2ppb h GLN 1489Ca -0.26 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.76 2ppb h GLN 1489Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2ppb h GLN 1489CO 0.53 0.00 -0.62 0.87 -0.95 0.00 0.00 178.83 178.66 2ppb h LYS 1490N 0.00 0.65 0.00 1.46 1.57 -2.01 -3.10 116.57 115.14 2ppb h LYS 1490Ca 0.16 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2ppb h LYS 1490Cb 1.65 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2ppb h LYS 1490CO -0.00 1.07 -0.41 1.15 -0.57 0.00 0.00 179.45 180.69 2ppb h THR 1491N 0.48 0.00 -0.11 -0.16 2.02 0.76 -3.05 112.91 112.85 2ppb h THR 1491Ca -0.01 -0.83 -0.20 0.00 0.77 0.00 0.00 66.41 66.15 2ppb h THR 1491Cb 1.20 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 2ppb h THR 1491CO 0.12 0.00 -0.75 0.25 0.37 0.00 0.00 175.52 175.51 2ppb h LEU 1492N 0.00 0.65 0.06 2.58 7.12 -1.33 -2.19 115.31 122.21 2ppb h LEU 1492Ca 0.00 -0.43 -0.26 0.00 0.13 0.00 0.00 57.88 57.32 2ppb h LEU 1492Cb 0.91 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 2ppb h LEU 1492CO 0.00 1.19 -1.17 0.11 -0.13 0.00 0.00 178.44 178.44 2ppb h LYS 1493N 0.37 0.26 -0.43 1.25 1.79 -1.64 -2.78 116.57 115.39 2ppb h LYS 1493Ca -0.04 -0.41 -0.06 0.00 -2.18 0.00 0.00 60.65 57.97 2ppb h LYS 1493Cb 1.34 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 32.12 2ppb h LYS 1493CO 0.14 1.17 0.03 0.00 -1.08 0.00 0.00 179.45 179.71 2ppb h ALA 1494N 0.66 1.25 -0.13 3.86 0.00 -1.50 0.29 119.26 123.69 2ppb h ALA 1494Ca -0.11 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2ppb h ALA 1494Cb 1.89 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2ppb h ALA 1494CO 0.19 0.51 -0.70 0.82 0.00 0.00 0.00 179.25 180.07 2ppb h ILE 1495N 0.65 1.34 -0.13 0.00 5.03 -1.43 -2.67 117.51 120.29 2ppb h ILE 1495Ca 0.14 -2.01 -0.08 0.00 -0.12 0.00 0.00 64.86 62.78 2ppb h ILE 1495Cb 0.36 1.99 -0.01 0.00 -3.03 0.00 0.00 36.82 36.13 2ppb h ILE 1495CO 0.01 0.62 -0.28 -0.08 -0.68 0.00 0.00 178.15 177.74 2ppb h GLU 1496N 0.39 0.25 0.00 2.37 4.57 -1.17 -1.64 114.58 119.34 2ppb h GLU 1496Ca -0.03 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2ppb h GLU 1496Cb 1.28 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 2ppb h GLU 1496CO 0.13 0.51 -0.17 0.93 -1.18 0.00 0.00 179.01 179.23 2ppb h GLU 1497N 0.22 0.00 0.00 1.92 4.39 -0.77 -0.32 114.58 120.02 2ppb h GLU 1497Ca 0.03 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 2ppb h GLU 1497Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2ppb h GLU 1497CO 0.04 0.17 -0.69 0.00 -1.16 0.00 0.00 179.01 177.37 2ppb h ALA 1498N 1.83 0.56 0.08 3.43 0.00 -0.97 -2.80 119.26 121.39 2ppb h ALA 1498Ca -0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 2ppb h ALA 1498Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ppb h ALA 1498CO 0.02 0.87 -1.14 0.00 0.00 0.00 0.00 179.25 179.00 2ppb h ARG 1499N 0.00 0.18 -0.22 0.00 3.08 -0.87 -3.28 114.38 113.27 2ppb h ARG 1499Ca -0.01 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 2ppb h ARG 1499Cb 1.51 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 2ppb h ARG 1499CO 0.09 1.13 -0.39 0.87 -1.07 0.00 0.00 179.97 180.61 2ppb h LYS 1500N 0.06 0.50 0.00 0.04 1.57 -1.12 -2.91 116.57 114.71 2ppb h LYS 1500Ca -0.09 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2ppb h LYS 1500Cb 1.87 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2ppb h LYS 1500CO 0.18 0.81 0.00 1.49 -0.57 0.00 0.00 179.45 181.36 2ppb h GLU 1501N 0.42 0.00 0.00 3.15 4.81 -1.56 -2.97 114.58 118.43 2ppb h GLU 1501Ca 0.04 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2ppb h GLU 1501Cb 0.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2ppb h GLU 1501CO 0.07 0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 178.18 2ppb h ALA 1502N 2.17 1.19 -2.12 2.92 0.00 -1.61 -3.42 119.26 118.38 2ppb h ALA 1502Ca 0.00 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.19 2ppb h ALA 1502Cb 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ppb h ALA 1502CO 0.00 0.21 1.29 0.08 0.00 0.00 0.00 179.25 180.83 2ppb s VAL 1503N -4.00 3.24 0.08 0.00 1.01 -1.12 -4.95 120.40 114.65 2ppb s VAL 1503Ca -0.02 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2ppb s VAL 1503Cb 0.12 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2ppb s VAL 1503CO 0.61 -0.10 0.92 -1.61 0.00 0.00 0.00 175.10 174.92 2ppb s GLU 1504N 5.18 4.64 0.00 2.72 0.41 -1.26 -5.13 118.70 125.26 2ppb s GLU 1504Ca 0.87 1.36 0.00 0.00 -0.41 0.00 0.00 54.97 56.79 2ppb s GLU 1504Cb -0.33 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 2ppb s GLU 1504CO 0.35 0.19 0.00 0.00 -0.49 0.00 0.00 175.26 175.31