#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppb n LEU 2 N 0.00 0.15 0.00 4.03 4.77 -1.26 -4.51 117.00 120.18 2ppb n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ppb n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ppb n LEU 2 CO 0.00 -0.27 0.00 -0.67 -1.33 0.00 0.00 177.39 175.12 2ppb n ASP 3 N -2.48 0.00 0.07 -1.43 4.64 -1.26 -4.30 116.55 111.79 2ppb n ASP 3 Ca 0.00 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.27 2ppb n ASP 3 Cb 0.14 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.08 2ppb n ASP 3 CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 2ppb h SER 4 N 0.00 0.31 0.27 1.67 0.87 -1.98 -3.10 113.55 111.59 2ppb h SER 4 Ca 0.00 -0.39 -0.32 0.00 -1.23 0.00 0.00 61.79 59.84 2ppb h SER 4 Cb 0.00 -0.10 0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2ppb h SER 4 CO 0.00 1.32 -1.40 0.11 -0.53 0.00 0.00 176.83 176.33 2ppb h LYS 5 N 0.05 0.54 -0.80 2.24 6.56 -1.96 -3.23 116.57 119.97 2ppb h LYS 5 Ca -0.18 -0.86 -0.02 0.00 -1.06 0.00 0.00 60.65 58.53 2ppb h LYS 5 Cb 1.97 0.31 -0.04 0.00 -0.57 0.00 0.00 32.23 33.90 2ppb h LYS 5 CO 0.16 1.41 0.42 1.25 -2.06 0.00 0.00 179.45 180.63 2ppb h LEU 6 N 0.18 1.02 -7.04 2.94 5.85 -1.75 -3.14 115.31 113.37 2ppb h LEU 6 Ca -0.23 -0.10 -0.54 0.00 0.84 0.00 0.00 57.88 57.86 2ppb h LEU 6 Cb 2.09 -0.26 0.02 0.00 0.37 0.00 0.00 40.66 42.88 2ppb h LEU 6 CO 0.26 0.83 1.82 1.17 -0.34 0.00 0.00 178.44 182.19 2ppb n LYS 7 N -4.33 1.47 -4.42 1.25 4.81 -1.17 -4.83 118.16 110.94 2ppb n LYS 7 Ca 0.08 -2.03 -0.27 0.00 -0.87 0.00 0.00 58.31 55.22 2ppb n LYS 7 Cb 0.12 -3.19 -0.12 0.00 0.02 0.00 0.00 35.03 31.86 2ppb n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ppb s ALA 8 N 7.26 2.53 -0.30 3.14 0.00 -1.19 -4.89 121.76 128.30 2ppb s ALA 8 Ca 0.62 -1.64 -0.36 0.00 0.00 0.00 0.00 51.96 50.57 2ppb s ALA 8 Cb 0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 23.12 22.76 2ppb s ALA 8 CO 0.14 0.42 2.06 -2.30 0.00 0.00 0.00 175.76 176.07 2ppb n PRO 9 N 0.25 1.21 -2.42 0.00 -0.02 -1.26 -4.46 135.00 128.30 2ppb n PRO 9 Ca -0.12 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 2ppb n PRO 9 Cb 0.56 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2ppb n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 10 N 6.08 3.68 -0.41 -1.45 1.01 0.13 -4.80 120.40 124.64 2ppb s VAL 10 Ca 1.05 0.44 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 2ppb s VAL 10 Cb -0.90 -4.63 0.02 0.00 0.00 0.00 0.00 36.38 30.87 2ppb s VAL 10 CO 0.53 -1.52 1.26 0.12 0.00 0.00 0.00 175.10 175.50 2ppb s PHE 11 N 6.41 2.67 -0.05 5.22 5.36 -1.26 -3.68 117.98 132.65 2ppb s PHE 11 Ca 0.45 0.77 0.04 0.00 -0.96 0.00 0.00 56.93 57.23 2ppb s PHE 11 Cb -0.09 -4.23 -0.03 0.00 -0.34 0.00 0.00 43.02 38.33 2ppb s PHE 11 CO 0.18 -1.57 -0.15 0.95 -1.46 0.00 0.00 175.22 173.17 2ppb s THR 12 N 4.73 3.01 0.03 0.12 -4.23 -0.02 -5.02 115.64 114.25 2ppb s THR 12 Ca 0.54 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 60.38 2ppb s THR 12 Cb -0.12 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 2ppb s THR 12 CO 0.29 0.59 -0.20 -0.69 -0.54 0.00 0.00 174.62 174.07 2ppb s VAL 13 N -0.71 1.64 -0.33 2.29 1.01 -1.26 -1.95 120.40 121.09 2ppb s VAL 13 Ca 0.11 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 2ppb s VAL 13 Cb -0.11 -1.41 0.13 0.00 0.00 0.00 0.00 36.38 35.00 2ppb s VAL 13 CO 0.00 0.28 0.21 -0.13 0.00 0.00 0.00 175.10 175.46 2ppb s ARG 14 N -0.97 0.45 -0.10 2.72 0.52 -1.00 -5.04 118.95 115.53 2ppb s ARG 14 Ca 0.07 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2ppb s ARG 14 Cb -0.08 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.22 2ppb s ARG 14 CO 0.01 -1.15 -0.17 -0.08 0.02 0.00 0.00 175.30 173.93 2ppb s THR 15 N 1.44 1.54 -0.21 0.02 -1.32 -1.26 -0.99 115.64 114.86 2ppb s THR 15 Ca 0.15 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 2ppb s THR 15 Cb -0.20 -1.38 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 2ppb s THR 15 CO -0.11 0.45 -0.02 -1.58 -2.21 0.00 0.00 174.62 171.15 2ppb s GLN 16 N 0.74 3.51 2.47 7.08 -0.44 -1.06 -4.99 119.66 126.97 2ppb s GLN 16 Ca -0.12 -0.57 0.00 0.00 -2.50 0.00 0.00 55.36 52.18 2ppb s GLN 16 Cb -0.16 -3.05 0.00 0.00 -1.64 0.00 0.00 33.01 28.16 2ppb s GLN 16 CO 0.02 -0.07 0.00 0.41 0.50 0.00 0.00 175.29 176.15 2ppb n GLY 17 N 4.47 -0.09 0.69 2.59 0.00 -1.26 -3.30 105.19 108.29 2ppb n GLY 17 Ca -0.17 -0.99 0.06 0.00 0.00 0.00 0.00 46.02 44.92 2ppb n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppb n ARG 18 N -0.45 2.82 -0.11 1.61 1.74 -1.26 -4.60 116.66 116.40 2ppb n ARG 18 Ca 0.00 -2.08 -0.20 0.00 -0.77 0.00 0.00 57.85 54.80 2ppb n ARG 18 Cb 0.00 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 2ppb n ARG 18 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ppb n GLU 19 N 0.60 0.56 -4.08 5.56 4.71 -1.26 -3.94 120.64 122.79 2ppb n GLU 19 Ca 0.12 0.26 -0.29 0.00 -0.01 0.00 0.00 57.16 57.24 2ppb n GLU 19 Cb 0.44 -1.48 -0.07 0.00 -1.01 0.00 0.00 31.44 29.32 2ppb n GLU 19 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2ppb s TYR 20 N -2.66 3.12 -0.30 -0.32 6.04 -1.21 0.46 117.35 122.49 2ppb s TYR 20 Ca -0.33 0.03 -0.07 0.00 0.04 0.00 0.00 57.07 56.74 2ppb s TYR 20 Cb 0.10 -1.57 0.19 0.00 -1.04 0.00 0.00 41.96 39.63 2ppb s TYR 20 CO 0.46 0.51 0.89 0.20 -1.54 0.00 0.00 175.55 176.07 2ppb s GLY 21 N -2.53 -0.83 0.29 8.97 0.00 -1.00 -2.58 107.32 109.65 2ppb s GLY 21 Ca 0.29 2.06 -0.22 0.00 0.00 0.00 0.00 44.72 46.85 2ppb s GLY 21 CO 0.21 3.82 0.83 -0.54 0.00 0.00 0.00 173.10 177.42 2ppb s GLU 22 N 2.91 4.35 -0.19 2.90 2.02 -0.16 -2.26 118.70 128.28 2ppb s GLU 22 Ca 0.14 1.05 -0.04 0.00 0.02 0.00 0.00 54.97 56.14 2ppb s GLU 22 Cb -0.08 -2.74 0.06 0.00 0.10 0.00 0.00 34.13 31.47 2ppb s GLU 22 CO -0.20 0.29 0.07 -0.06 0.02 0.00 0.00 175.26 175.38 2ppb s PHE 23 N -1.67 0.53 -0.11 1.61 0.08 -0.78 -2.38 117.98 115.26 2ppb s PHE 23 Ca 0.49 -0.57 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 2ppb s PHE 23 Cb -0.16 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2ppb s PHE 23 CO 0.21 -0.57 0.09 0.08 -0.10 0.00 0.00 175.22 174.93 2ppb s VAL 24 N 2.02 5.12 -0.20 -0.44 1.01 -0.82 -1.00 120.40 126.09 2ppb s VAL 24 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2ppb s VAL 24 Cb -0.16 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.11 2ppb s VAL 24 CO -0.10 0.61 0.33 -0.22 0.00 0.00 0.00 175.10 175.72 2ppb s LEU 25 N -0.97 -0.45 0.13 3.92 2.96 -0.02 -0.84 118.68 123.41 2ppb s LEU 25 Ca 0.14 0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.28 2ppb s LEU 25 Cb -0.12 0.92 0.04 0.00 0.50 0.00 0.00 46.19 47.53 2ppb s LEU 25 CO 0.03 -0.28 0.42 -1.83 -1.32 0.00 0.00 176.35 173.38 2ppb s GLU 26 N 2.49 1.11 0.58 1.98 -1.05 -1.24 -2.60 118.70 119.97 2ppb s GLU 26 Ca 0.06 -0.72 -0.06 0.00 -0.15 0.00 0.00 54.97 54.10 2ppb s GLU 26 Cb -0.14 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2ppb s GLU 26 CO -0.13 -0.44 0.88 -2.14 0.95 0.00 0.00 175.26 174.39 2ppb s PRO 27 N -3.81 2.99 0.05 -4.83 0.02 -1.26 0.19 135.00 128.34 2ppb s PRO 27 Ca 0.04 0.00 0.03 0.00 0.02 0.00 0.00 61.00 61.10 2ppb s PRO 27 Cb 0.01 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 2ppb s PRO 27 CO -0.11 -0.64 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.30 2ppb s LEU 28 N -4.96 2.25 0.00 -5.54 1.43 -0.85 -4.21 118.68 106.81 2ppb s LEU 28 Ca 0.53 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2ppb s LEU 28 Cb -0.10 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2ppb s LEU 28 CO 0.45 -0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.28 2ppb n GLU 29 N 1.46 2.49 -3.34 1.70 -0.58 -1.26 -2.61 120.64 118.50 2ppb n GLU 29 Ca -0.22 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.14 2ppb n GLU 29 Cb 0.55 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.34 2ppb n GLU 29 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2ppb s ARG 30 N 0.00 4.20 -1.46 3.49 6.06 -1.26 -3.28 118.95 126.70 2ppb s ARG 30 Ca 0.00 0.29 -0.09 0.00 -2.50 0.00 0.00 55.73 53.43 2ppb s ARG 30 Cb 0.00 -3.53 0.06 0.00 0.06 0.00 0.00 34.95 31.54 2ppb s ARG 30 CO 0.00 -0.04 0.91 0.41 -2.50 0.00 0.00 175.30 174.08 2ppb n GLY 31 N 3.82 -0.44 0.08 8.12 0.00 -1.26 -4.90 105.19 110.62 2ppb n GLY 31 Ca -0.07 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2ppb n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ppb n PHE 32 N -4.59 0.00 -0.33 1.61 0.99 -1.26 -3.67 117.46 110.21 2ppb n PHE 32 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.43 2ppb n PHE 32 Cb 0.57 -0.85 0.23 0.00 -1.00 0.00 0.00 39.48 38.42 2ppb n PHE 32 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2ppb h GLY 33 N 3.68 1.42 1.03 1.37 0.00 -1.89 0.99 103.07 109.66 2ppb h GLY 33 Ca -0.43 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 2ppb h GLY 33 CO 0.02 0.29 -0.29 -2.08 0.00 0.00 0.00 176.54 174.49 2ppb h VAL 34 N 1.06 1.29 0.00 4.60 2.07 -1.97 0.21 116.25 123.51 2ppb h VAL 34 Ca 0.42 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2ppb h VAL 34 Cb 0.24 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2ppb h VAL 34 CO -0.17 0.48 -0.16 0.74 0.02 0.00 0.00 177.57 178.48 2ppb h THR 35 N 0.59 0.82 0.01 2.57 2.02 -1.28 -2.66 112.91 114.98 2ppb h THR 35 Ca 0.06 -0.60 -0.40 0.00 0.77 0.00 0.00 66.41 66.24 2ppb h THR 35 Cb 0.86 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 2ppb h THR 35 CO 0.07 0.15 -2.39 0.18 0.37 0.00 0.00 175.52 173.91 2ppb n LEU 36 N -3.93 2.60 -0.10 2.58 4.77 0.21 -4.45 117.00 118.69 2ppb n LEU 36 Ca -0.02 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 2ppb n LEU 36 Cb 0.25 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 2ppb n LEU 36 CO 0.33 0.80 1.00 1.23 -1.33 0.00 0.00 177.39 179.41 2ppb h GLY 37 N 0.91 0.47 0.91 -0.72 0.00 -0.58 -2.78 103.07 101.28 2ppb h GLY 37 Ca -0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 2ppb h GLY 37 CO -0.17 0.14 0.10 -0.57 0.00 0.00 0.00 176.54 176.04 2ppb h ASN 38 N 0.42 0.32 0.18 0.19 -0.73 -1.69 -1.27 115.58 113.00 2ppb h ASN 38 Ca 0.13 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 2ppb h ASN 38 Cb -0.02 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.49 2ppb h ASN 38 CO -0.05 0.38 -0.10 -0.65 -0.37 0.00 0.00 177.43 176.65 2ppb h PRO 39 N 0.24 -0.25 -0.79 6.67 0.11 -1.77 -0.63 132.00 135.57 2ppb h PRO 39 Ca 0.08 0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.33 2ppb h PRO 39 Cb 0.16 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.27 2ppb h PRO 39 CO -0.01 -0.17 0.52 -0.07 -0.21 0.00 0.00 178.00 178.06 2ppb h LEU 40 N -0.26 0.57 0.08 2.35 3.38 -1.48 -0.42 115.31 119.52 2ppb h LEU 40 Ca -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ppb h LEU 40 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ppb h LEU 40 CO 0.03 0.32 -0.04 -0.09 0.09 0.00 0.00 178.44 178.75 2ppb h ARG 41 N 0.62 -0.10 0.00 1.13 1.12 -0.49 0.36 114.38 117.01 2ppb h ARG 41 Ca 0.38 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.25 2ppb h ARG 41 Cb 0.62 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2ppb h ARG 41 CO -0.15 0.08 -0.04 0.00 -3.11 0.00 0.00 179.97 176.75 2ppb h ARG 42 N -0.26 0.00 0.00 0.20 3.08 0.00 -2.42 114.38 114.97 2ppb h ARG 42 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ppb h ARG 42 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2ppb h ARG 42 CO 0.02 0.04 -0.00 0.82 -1.07 0.00 0.00 179.97 179.78 2ppb h ILE 43 N 0.00 1.78 -0.50 2.04 1.08 -0.88 -3.21 117.51 117.83 2ppb h ILE 43 Ca -0.00 -2.30 0.15 0.00 -0.39 0.00 0.00 64.86 62.31 2ppb h ILE 43 Cb 0.10 3.35 -0.02 0.00 -3.07 0.00 0.00 36.82 37.18 2ppb h ILE 43 CO 0.01 0.60 0.49 -0.07 -0.69 0.00 0.00 178.15 178.49 2ppb h LEU 44 N -0.98 0.00 0.07 1.44 3.38 -0.46 0.10 115.31 118.86 2ppb h LEU 44 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 2ppb h LEU 44 Cb 0.98 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2ppb h LEU 44 CO 0.00 0.00 -2.13 0.18 0.09 0.00 0.00 178.44 176.58 2ppb n LEU 45 N -3.80 2.64 -0.10 1.67 4.32 -0.98 -4.41 117.00 116.34 2ppb n LEU 45 Ca 0.09 0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 2ppb n LEU 45 Cb 0.70 -1.02 -0.14 0.00 -1.62 0.00 0.00 43.42 41.34 2ppb n LEU 45 CO 0.29 0.82 -1.16 -1.54 -1.22 0.00 0.00 177.39 174.58 2ppb n SER 46 N -3.54 0.92 -0.02 -1.43 3.41 -1.04 -4.71 113.62 107.20 2ppb n SER 46 Ca -0.38 -0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 57.99 2ppb n SER 46 Cb 0.99 0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 65.36 2ppb n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ppb h SER 47 N 0.00 0.26 -1.86 4.04 0.02 -1.02 -3.30 113.55 111.68 2ppb h SER 47 Ca -0.51 -0.85 -0.65 0.00 -0.84 0.00 0.00 61.79 58.93 2ppb h SER 47 Cb 2.05 -0.08 0.06 0.00 0.14 0.00 0.00 62.40 64.57 2ppb h SER 47 CO -0.01 1.42 0.49 -0.38 -1.14 0.00 0.00 176.83 177.21 2ppb n ILE 48 N -4.19 0.18 -3.00 3.27 5.41 -1.15 -4.75 119.36 115.14 2ppb n ILE 48 Ca -0.21 -0.05 -0.36 0.00 1.00 0.00 0.00 62.75 63.14 2ppb n ILE 48 Cb 0.76 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.66 2ppb n ILE 48 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ppb s PRO 49 N 0.38 4.34 0.00 0.38 0.04 -1.26 -4.38 135.00 134.50 2ppb s PRO 49 Ca 0.81 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2ppb s PRO 49 Cb -0.88 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2ppb s PRO 49 CO 0.46 0.34 0.00 0.41 0.04 0.00 0.00 177.00 178.25 2ppb n GLY 50 N 0.58 4.14 3.09 0.56 0.00 0.25 -4.60 105.19 109.21 2ppb n GLY 50 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2ppb n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppb s THR 51 N 0.09 0.49 -0.19 2.61 -4.23 -1.25 -1.25 115.64 111.91 2ppb s THR 51 Ca 0.00 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 58.78 2ppb s THR 51 Cb 0.00 -1.03 0.14 0.00 1.34 0.00 0.00 72.50 72.95 2ppb s THR 51 CO 0.00 -0.64 1.08 0.00 -0.54 0.00 0.00 174.62 174.52 2ppb s ALA 52 N -2.46 -1.98 -0.11 3.99 0.00 -1.15 -4.34 121.76 115.71 2ppb s ALA 52 Ca -0.01 1.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.32 2ppb s ALA 52 Cb -0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.11 2ppb s ALA 52 CO -0.03 -0.29 1.95 0.08 0.00 0.00 0.00 175.76 177.47 2ppb s VAL 53 N -1.05 3.20 -0.13 0.00 1.01 -1.26 -3.05 120.40 119.12 2ppb s VAL 53 Ca 0.01 0.23 0.19 0.00 0.00 0.00 0.00 61.98 62.41 2ppb s VAL 53 Cb -0.01 -3.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.98 2ppb s VAL 53 CO -0.01 -0.08 0.61 0.41 0.00 0.00 0.00 175.10 176.04 2ppb n THR 54 N 6.48 0.94 -3.58 3.92 -1.04 -1.07 -4.51 114.28 115.41 2ppb n THR 54 Ca 0.23 -0.68 -0.09 0.00 -2.04 0.00 0.00 64.05 61.48 2ppb n THR 54 Cb 0.43 -0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 68.43 2ppb n THR 54 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2ppb s SER 55 N -5.43 -0.39 0.01 8.00 0.15 -1.26 -2.35 113.70 112.44 2ppb s SER 55 Ca -0.05 -0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.34 2ppb s SER 55 Cb 0.09 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2ppb s SER 55 CO 0.83 -0.93 0.13 -0.69 1.20 0.00 0.00 173.24 173.78 2ppb s VAL 56 N -3.53 0.09 -0.27 4.45 1.01 -0.78 -1.11 120.40 120.26 2ppb s VAL 56 Ca 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2ppb s VAL 56 Cb -0.02 -0.45 0.09 0.00 0.00 0.00 0.00 36.38 36.01 2ppb s VAL 56 CO -0.05 -0.40 0.11 -0.47 0.00 0.00 0.00 175.10 174.29 2ppb s TYR 57 N -1.45 0.66 0.15 5.22 5.04 -0.65 -0.82 117.35 125.49 2ppb s TYR 57 Ca -0.14 -1.00 -0.27 0.00 -2.44 0.00 0.00 57.07 53.22 2ppb s TYR 57 Cb -0.07 -1.06 -0.07 0.00 0.35 0.00 0.00 41.96 41.10 2ppb s TYR 57 CO 0.01 -0.79 0.82 0.42 -1.34 0.00 0.00 175.55 174.68 2ppb s ILE 58 N 1.98 4.40 0.08 3.14 -1.09 -1.26 -2.17 121.20 126.28 2ppb s ILE 58 Ca 0.08 1.80 -0.20 0.00 -2.23 0.00 0.00 60.65 60.09 2ppb s ILE 58 Cb -0.16 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 36.43 2ppb s ILE 58 CO -0.29 0.47 1.59 -0.33 -1.23 0.00 0.00 174.94 175.14 2ppb h GLU 59 N 4.69 0.29 -0.01 2.79 5.08 -1.77 -3.04 114.58 122.61 2ppb h GLU 59 Ca -0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ppb h GLU 59 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ppb h GLU 59 CO 0.68 0.39 -0.42 -0.25 -1.00 0.00 0.00 179.01 178.41 2ppb n ASP 60 N -4.81 0.94 -4.79 1.42 8.00 -1.26 -4.89 116.55 111.16 2ppb n ASP 60 Ca -0.04 -0.75 -0.39 0.00 0.71 0.00 0.00 54.79 54.33 2ppb n ASP 60 Cb 0.15 0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 2ppb n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ppb s VAL 61 N -2.71 4.49 -0.18 2.53 1.01 -1.15 -4.99 120.40 119.40 2ppb s VAL 61 Ca 0.18 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 2ppb s VAL 61 Cb 0.18 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2ppb s VAL 61 CO 0.61 0.47 -0.19 0.18 0.00 0.00 0.00 175.10 176.17 2ppb n LEU 62 N 1.44 2.23 -4.75 3.92 4.32 -1.26 -4.66 117.00 118.25 2ppb n LEU 62 Ca -0.06 0.05 -0.28 0.00 -0.02 0.00 0.00 56.01 55.69 2ppb n LEU 62 Cb 0.50 -0.57 -0.07 0.00 -1.62 0.00 0.00 43.42 41.65 2ppb n LEU 62 CO 0.44 0.61 -0.19 -1.38 -1.22 0.00 0.00 177.39 175.66 2ppb s HIS 63 N -2.34 2.19 -0.10 -1.77 -3.43 -1.26 -4.70 115.29 103.88 2ppb s HIS 63 Ca -0.24 -0.77 0.22 0.00 -0.80 0.00 0.00 55.06 53.47 2ppb s HIS 63 Cb 0.08 -1.80 0.57 0.00 -1.43 0.00 0.00 32.58 29.99 2ppb s HIS 63 CO 0.36 0.15 1.67 1.49 -2.00 0.00 0.00 174.74 176.42 2ppb h GLU 64 N 1.37 0.00 -0.96 -0.38 4.81 -1.96 -3.30 114.58 114.16 2ppb h GLU 64 Ca -0.42 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.35 2ppb h GLU 64 Cb 1.28 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.39 2ppb h GLU 64 CO 0.72 0.23 0.57 1.19 -0.73 0.00 0.00 179.01 180.99 2ppb n PHE 65 N -3.24 2.89 -3.21 0.92 3.01 -1.26 -3.27 117.46 113.31 2ppb n PHE 65 Ca 0.02 -1.70 -0.19 0.00 1.01 0.00 0.00 57.45 56.59 2ppb n PHE 65 Cb 0.53 -0.89 0.01 0.00 -0.01 0.00 0.00 39.48 39.12 2ppb n PHE 65 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2ppb s SER 66 N -1.18 5.80 -0.05 4.37 0.01 -1.24 -4.95 113.70 116.45 2ppb s SER 66 Ca 0.55 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.66 2ppb s SER 66 Cb 0.46 -1.06 -0.00 0.00 0.21 0.00 0.00 66.02 65.63 2ppb s SER 66 CO 0.11 -0.62 -0.17 0.28 0.41 0.00 0.00 173.24 173.25 2ppb s THR 67 N -2.32 1.40 -0.20 1.44 -1.32 -1.26 -1.15 115.64 112.23 2ppb s THR 67 Ca 0.49 -0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 2ppb s THR 67 Cb -0.10 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 2ppb s THR 67 CO 0.33 0.41 0.19 -0.63 -2.21 0.00 0.00 174.62 172.71 2ppb s ILE 68 N 0.12 5.36 0.76 5.08 1.01 -1.26 -4.99 121.20 127.28 2ppb s ILE 68 Ca -0.06 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 2ppb s ILE 68 Cb -0.12 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.85 2ppb s ILE 68 CO 0.03 0.39 1.10 -2.65 0.00 0.00 0.00 174.94 173.81 2ppb n PRO 69 N 3.79 0.43 -0.45 2.79 -0.02 -1.26 -1.77 135.00 138.51 2ppb n PRO 69 Ca -0.14 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2ppb n PRO 69 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2ppb n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppb n GLY 70 N 0.84 0.78 3.11 -1.23 0.00 -1.26 -4.48 105.19 102.96 2ppb n GLY 70 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2ppb n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 71 N -2.17 2.40 0.08 1.61 1.01 -0.73 -0.32 120.40 122.29 2ppb s VAL 71 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 61.98 60.27 2ppb s VAL 71 Cb 0.00 -2.32 -0.14 0.00 0.00 0.00 0.00 36.38 33.92 2ppb s VAL 71 CO 0.00 0.08 1.49 0.50 0.00 0.00 0.00 175.10 177.16 2ppb h LYS 72 N 7.87 -0.74 -7.15 2.72 3.64 -1.78 -3.41 116.57 117.72 2ppb h LYS 72 Ca -0.25 0.05 -0.54 0.00 -1.27 0.00 0.00 60.65 58.64 2ppb h LYS 72 Cb 1.07 0.17 0.18 0.00 -0.41 0.00 0.00 32.23 33.24 2ppb h LYS 72 CO 0.52 -0.49 0.27 -0.85 -2.27 0.00 0.00 179.45 176.62 2ppb n GLU 73 N -5.12 0.22 -3.94 1.90 0.00 -1.26 -4.99 120.64 107.44 2ppb n GLU 73 Ca -0.09 0.15 -0.26 0.00 0.00 0.00 0.00 57.16 56.95 2ppb n GLU 73 Cb 0.38 -2.39 -0.03 0.00 0.00 0.00 0.00 31.44 29.41 2ppb n GLU 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2ppb s ASP 74 N -2.04 6.34 0.34 -1.84 1.47 -1.26 -4.50 116.67 115.17 2ppb s ASP 74 Ca 0.73 0.17 0.13 0.00 1.18 0.00 0.00 52.55 54.76 2ppb s ASP 74 Cb -0.30 -1.91 1.08 0.00 -0.34 0.00 0.00 42.92 41.46 2ppb s ASP 74 CO 0.51 0.06 1.60 0.58 0.68 0.00 0.00 175.17 178.60 2ppb h VAL 75 N 1.65 0.10 -0.19 2.11 2.07 -1.37 0.14 116.25 120.76 2ppb h VAL 75 Ca -0.48 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2ppb h VAL 75 Cb 1.19 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2ppb h VAL 75 CO 0.69 0.02 0.09 0.58 0.02 0.00 0.00 177.57 178.96 2ppb h VAL 76 N 0.09 1.14 -0.33 2.57 2.07 -1.77 0.27 116.25 120.30 2ppb h VAL 76 Ca 0.73 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.77 2ppb h VAL 76 Cb 1.76 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2ppb h VAL 76 CO -0.76 0.13 -0.13 -0.08 0.02 0.00 0.00 177.57 176.75 2ppb h GLU 77 N 0.17 0.57 0.30 1.57 4.22 -1.14 -1.87 114.58 118.41 2ppb h GLU 77 Ca 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 2ppb h GLU 77 Cb 0.13 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ppb h GLU 77 CO -0.01 0.69 -0.15 0.82 -2.18 0.00 0.00 179.01 178.19 2ppb h ILE 78 N 0.52 0.63 -0.44 2.32 2.04 -1.05 -1.66 117.51 119.87 2ppb h ILE 78 Ca 0.09 -0.72 0.13 0.00 1.00 0.00 0.00 64.86 65.36 2ppb h ILE 78 Cb 0.54 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2ppb h ILE 78 CO 0.03 0.13 0.34 0.16 0.00 0.00 0.00 178.15 178.81 2ppb h ILE 79 N -0.85 0.67 0.19 -0.67 -0.00 -0.92 0.38 117.51 116.30 2ppb h ILE 79 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.81 2ppb h ILE 79 Cb 0.52 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.09 2ppb h ILE 79 CO 0.07 0.00 -0.09 0.25 -0.00 0.00 0.00 178.15 178.38 2ppb h LEU 80 N 0.00 -0.22 -2.76 0.16 6.46 -1.21 -2.88 115.31 114.87 2ppb h LEU 80 Ca 0.21 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2ppb h LEU 80 Cb 0.89 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2ppb h LEU 80 CO -0.00 0.14 0.02 0.78 -0.62 0.00 0.00 178.44 178.75 2ppb h ASN 81 N -0.59 0.00 0.46 1.25 -0.26 -0.01 0.25 115.58 116.69 2ppb h ASN 81 Ca -0.03 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.54 2ppb h ASN 81 Cb 0.44 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 2ppb h ASN 81 CO 0.04 0.00 -0.75 -0.07 -1.06 0.00 0.00 177.43 175.60 2ppb h LEU 82 N 0.00 0.28 -2.16 1.61 3.38 -0.92 -2.71 115.31 114.79 2ppb h LEU 82 Ca 0.00 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2ppb h LEU 82 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2ppb h LEU 82 CO -0.00 0.93 0.09 0.11 0.09 0.00 0.00 178.44 179.66 2ppb h LYS 83 N 0.15 0.00 0.00 1.13 1.57 -0.80 0.15 116.57 118.77 2ppb h LYS 83 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ppb h LYS 83 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2ppb h LYS 83 CO 0.12 0.00 0.00 0.93 -0.57 0.00 0.00 179.45 179.93 2ppb h GLU 84 N 0.00 0.00 -6.41 3.15 3.07 -1.47 -3.45 114.58 109.47 2ppb h GLU 84 Ca 0.05 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.38 2ppb h GLU 84 Cb 0.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2ppb h GLU 84 CO -0.00 0.00 1.00 -1.17 -1.40 0.00 0.00 179.01 177.44 2ppb s LEU 85 N -5.86 4.35 -0.31 1.33 2.96 0.53 -4.98 118.68 116.70 2ppb s LEU 85 Ca 0.05 2.41 -0.05 0.00 -0.22 0.00 0.00 54.13 56.32 2ppb s LEU 85 Cb 0.08 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.25 2ppb s LEU 85 CO 0.58 -0.88 0.05 0.54 -1.32 0.00 0.00 176.35 175.33 2ppb s VAL 86 N 2.89 3.50 0.22 1.68 0.11 -1.26 -4.69 120.40 122.85 2ppb s VAL 86 Ca 0.73 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.72 2ppb s VAL 86 Cb -0.38 -2.94 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 2ppb s VAL 86 CO 0.31 -0.08 0.17 0.68 -3.33 0.00 0.00 175.10 172.85 2ppb s VAL 87 N 1.37 4.40 -0.24 2.04 -7.23 -1.26 -2.90 120.40 116.58 2ppb s VAL 87 Ca -0.02 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2ppb s VAL 87 Cb -0.19 -3.34 0.08 0.00 0.56 0.00 0.00 36.38 33.49 2ppb s VAL 87 CO 0.01 -0.27 0.09 -0.60 -0.31 0.00 0.00 175.10 174.02 2ppb s ARG 88 N -3.60 0.32 0.38 4.82 3.00 0.39 -4.14 118.95 120.13 2ppb s ARG 88 Ca 0.32 -0.44 -0.03 0.00 -1.00 0.00 0.00 55.73 54.58 2ppb s ARG 88 Cb -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 34.95 33.14 2ppb s ARG 88 CO 0.24 -0.83 0.64 -0.06 0.00 0.00 0.00 175.30 175.30 2ppb s PHE 89 N 2.00 3.52 -0.38 5.12 0.08 -1.26 -1.81 117.98 125.24 2ppb s PHE 89 Ca 0.05 0.61 0.22 0.00 0.12 0.00 0.00 56.93 57.92 2ppb s PHE 89 Cb -0.16 -2.11 -0.24 0.00 -0.57 0.00 0.00 43.02 39.94 2ppb s PHE 89 CO -0.21 -0.02 0.70 1.28 -0.10 0.00 0.00 175.22 176.88 2ppb n LEU 90 N -1.75 0.40 -3.64 -0.37 4.77 -1.00 -5.00 117.00 110.41 2ppb n LEU 90 Ca -0.02 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.69 2ppb n LEU 90 Cb 0.55 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2ppb n LEU 90 CO 0.50 0.06 0.23 0.20 -1.33 0.00 0.00 177.39 177.05 2ppb s ASN 91 N -4.08 -0.41 0.48 -1.43 0.01 -1.26 -5.04 114.94 103.20 2ppb s ASN 91 Ca -0.02 0.36 0.36 0.00 -0.71 0.00 0.00 52.86 52.86 2ppb s ASN 91 Cb 0.14 0.43 1.52 0.00 0.41 0.00 0.00 41.25 43.75 2ppb s ASN 91 CO 0.88 -0.55 1.63 -0.65 -1.51 0.00 0.00 177.10 176.90 2ppb h PRO 92 N 3.38 0.05 -0.91 -0.60 0.11 -2.03 0.12 132.00 132.13 2ppb h PRO 92 Ca -0.29 -0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.08 2ppb h PRO 92 Cb 1.16 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2ppb h PRO 92 CO 0.40 0.03 0.73 1.03 -0.21 0.00 0.00 178.00 179.98 2ppb h SER 93 N 0.05 0.00 -3.15 -2.05 0.87 -2.03 -3.22 113.55 104.03 2ppb h SER 93 Ca 0.83 0.00 -0.75 0.00 -1.23 0.00 0.00 61.79 60.64 2ppb h SER 93 Cb 2.88 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 64.62 2ppb h SER 93 CO -0.27 0.00 0.50 -0.76 -0.53 0.00 0.00 176.83 175.77 2ppb s LEU 94 N -8.01 5.96 -0.15 2.23 1.02 0.41 -4.80 118.68 115.34 2ppb s LEU 94 Ca -0.05 -2.54 -0.18 0.00 0.02 0.00 0.00 54.13 51.37 2ppb s LEU 94 Cb 0.20 -2.30 -0.24 0.00 0.02 0.00 0.00 46.19 43.88 2ppb s LEU 94 CO 0.70 -0.75 0.41 1.56 0.02 0.00 0.00 176.35 178.30 2ppb h GLN 95 N 8.04 0.12 -3.45 1.70 4.20 -1.83 -3.46 115.11 120.43 2ppb h GLN 95 Ca 0.15 -0.21 -0.51 0.00 0.06 0.00 0.00 58.65 58.14 2ppb h GLN 95 Cb 1.01 0.08 -0.40 0.00 0.30 0.00 0.00 27.48 28.46 2ppb h GLN 95 CO 0.94 1.10 -0.76 -0.08 -0.67 0.00 0.00 178.83 179.36 2ppb s THR 96 N -2.41 0.42 -0.13 -0.54 -1.32 -1.26 -3.03 115.64 107.37 2ppb s THR 96 Ca -0.24 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.72 2ppb s THR 96 Cb 0.04 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 2ppb s THR 96 CO 0.69 -0.24 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.06 2ppb s VAL 97 N 1.90 3.26 -0.41 5.08 1.01 -0.41 -4.94 120.40 125.89 2ppb s VAL 97 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2ppb s VAL 97 Cb -0.17 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2ppb s VAL 97 CO -0.09 0.52 0.31 -0.89 0.00 0.00 0.00 175.10 174.96 2ppb s THR 98 N 0.28 5.24 0.03 3.92 2.01 -1.26 -0.95 115.64 124.91 2ppb s THR 98 Ca -0.08 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2ppb s THR 98 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2ppb s THR 98 CO 0.05 -0.30 0.92 -0.76 -0.69 0.00 0.00 174.62 173.84 2ppb s LEU 99 N 1.73 4.40 -0.05 4.42 1.02 -0.34 -4.90 118.68 124.96 2ppb s LEU 99 Ca 0.06 1.62 0.04 0.00 0.02 0.00 0.00 54.13 55.87 2ppb s LEU 99 Cb -0.19 -3.49 -0.03 0.00 0.02 0.00 0.00 46.19 42.51 2ppb s LEU 99 CO 0.10 -0.17 -0.14 -0.76 0.02 0.00 0.00 176.35 175.41 2ppb s LEU 100 N 0.63 2.77 -0.18 1.79 1.02 -1.26 -1.44 118.68 122.00 2ppb s LEU 100 Ca 0.48 -0.19 -0.15 0.00 0.02 0.00 0.00 54.13 54.29 2ppb s LEU 100 Cb -0.21 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.48 2ppb s LEU 100 CO 0.27 0.34 0.48 -0.22 0.02 0.00 0.00 176.35 177.24 2ppb s LEU 101 N -0.79 0.05 -0.11 1.79 0.20 -0.95 -1.95 118.68 116.92 2ppb s LEU 101 Ca 0.12 0.98 -0.04 0.00 0.69 0.00 0.00 54.13 55.88 2ppb s LEU 101 Cb -0.11 1.62 0.06 0.00 -0.43 0.00 0.00 46.19 47.33 2ppb s LEU 101 CO 0.01 -0.18 0.23 -0.54 -0.29 0.00 0.00 176.35 175.58 2ppb s LYS 102 N 0.59 0.12 0.02 1.98 1.02 -1.26 -1.32 119.74 120.89 2ppb s LYS 102 Ca -0.03 0.67 0.02 0.00 0.02 0.00 0.00 55.97 56.65 2ppb s LYS 102 Cb -0.05 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 2ppb s LYS 102 CO -0.04 -0.28 -0.06 0.00 -0.92 0.00 0.00 175.35 174.06 2ppb s ALA 103 N 2.27 0.43 0.14 5.17 0.00 -0.46 -5.00 121.76 124.31 2ppb s ALA 103 Ca 0.01 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2ppb s ALA 103 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2ppb s ALA 103 CO -0.08 0.02 -0.09 -2.00 0.00 0.00 0.00 175.76 173.61 2ppb s GLU 104 N -0.85 1.04 2.09 0.00 2.12 -1.26 -2.60 118.70 119.24 2ppb s GLU 104 Ca -0.05 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.84 2ppb s GLU 104 Cb -0.06 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.77 2ppb s GLU 104 CO 0.00 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.19 2ppb n GLY 105 N -0.18 -1.41 1.78 -1.50 0.00 -0.74 -4.32 105.19 98.82 2ppb n GLY 105 Ca -0.10 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 2ppb n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ppb n PRO 106 N 0.00 0.70 -4.40 1.61 -0.05 -0.90 -3.89 135.00 128.07 2ppb n PRO 106 Ca 0.00 -0.10 -0.28 0.00 -0.05 0.00 0.00 63.50 63.07 2ppb n PRO 106 Cb 0.00 -1.30 -0.12 0.00 -0.05 0.00 0.00 33.50 32.03 2ppb n PRO 106 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 2ppb s LYS 107 N 0.97 1.44 0.03 0.54 2.20 -1.17 -4.94 119.74 118.81 2ppb s LYS 107 Ca 0.07 -1.42 -0.26 0.00 -0.36 0.00 0.00 55.97 54.00 2ppb s LYS 107 Cb 0.03 -1.85 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 2ppb s LYS 107 CO 0.00 0.42 0.79 -1.21 -0.36 0.00 0.00 175.35 174.99 2ppb s GLU 108 N -2.33 4.51 -0.38 4.03 2.02 -1.26 -2.02 118.70 123.27 2ppb s GLU 108 Ca 0.17 1.10 -0.15 0.00 0.02 0.00 0.00 54.97 56.10 2ppb s GLU 108 Cb -0.09 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2ppb s GLU 108 CO 0.08 0.22 0.32 0.08 0.02 0.00 0.00 175.26 175.97 2ppb s VAL 109 N 0.16 5.22 0.38 2.63 1.01 0.10 -4.98 120.40 124.93 2ppb s VAL 109 Ca 0.40 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.12 2ppb s VAL 109 Cb -0.20 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 2ppb s VAL 109 CO 0.23 -0.20 0.36 -0.54 0.00 0.00 0.00 175.10 174.95 2ppb s LYS 110 N 1.84 2.65 0.18 2.72 -0.14 -1.26 -0.57 119.74 125.16 2ppb s LYS 110 Ca 0.08 -1.40 0.22 0.00 -1.36 0.00 0.00 55.97 53.51 2ppb s LYS 110 Cb -0.18 -2.46 0.88 0.00 -1.68 0.00 0.00 37.83 34.39 2ppb s LYS 110 CO 0.11 -0.07 1.66 0.00 -0.76 0.00 0.00 175.35 176.29 2ppb n ALA 111 N -1.50 1.73 1.24 5.17 0.00 0.68 -1.91 120.51 125.92 2ppb n ALA 111 Ca 0.02 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2ppb n ALA 111 Cb 0.61 -1.36 0.64 0.00 0.00 0.00 0.00 19.45 19.34 2ppb n ALA 111 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2ppb n ARG 112 N -2.02 0.30 0.03 0.00 1.85 -1.02 -3.33 116.66 112.46 2ppb n ARG 112 Ca 0.03 -0.04 0.11 0.00 -1.00 0.00 0.00 57.85 56.95 2ppb n ARG 112 Cb 0.23 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.62 2ppb n ARG 112 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2ppb n ASP 113 N -1.31 0.17 -4.72 2.89 9.92 -0.80 -4.80 116.55 117.89 2ppb n ASP 113 Ca 0.11 0.53 -0.42 0.00 -0.53 0.00 0.00 54.79 54.48 2ppb n ASP 113 Cb 0.29 -0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 40.17 2ppb n ASP 113 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2ppb s PHE 114 N -3.04 3.28 0.09 1.24 0.40 -1.21 -4.70 117.98 114.03 2ppb s PHE 114 Ca 0.10 1.09 -0.31 0.00 -0.60 0.00 0.00 56.93 57.22 2ppb s PHE 114 Cb 0.14 -3.61 -0.10 0.00 0.51 0.00 0.00 43.02 39.96 2ppb s PHE 114 CO 0.43 -2.05 1.88 -0.48 0.70 0.00 0.00 175.22 175.71 2ppb s LEU 115 N 0.71 4.41 0.31 -0.37 0.05 -0.82 -4.90 118.68 118.08 2ppb s LEU 115 Ca 0.61 2.72 -0.28 0.00 0.05 0.00 0.00 54.13 57.22 2ppb s LEU 115 Cb -0.36 -3.55 -0.13 0.00 -2.05 0.00 0.00 46.19 40.10 2ppb s LEU 115 CO 0.32 -1.02 1.23 -2.65 -0.55 0.00 0.00 176.35 173.68 2ppb n PRO 116 N 6.44 1.90 -4.98 1.48 -0.02 -1.26 -4.65 135.00 133.92 2ppb n PRO 116 Ca 0.19 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 2ppb n PRO 116 Cb 0.39 -2.20 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 2ppb n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 117 N -0.95 2.80 0.00 -1.45 1.01 -1.26 -5.08 120.40 115.47 2ppb s VAL 117 Ca 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2ppb s VAL 117 Cb -0.62 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2ppb s VAL 117 CO 0.60 0.58 0.75 0.00 0.00 0.00 0.00 175.10 177.03 2ppb n ALA 118 N 2.63 0.00 0.56 5.51 0.00 -1.26 -2.07 120.51 125.88 2ppb n ALA 118 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.36 2ppb n ALA 118 Cb 0.52 0.38 0.26 0.00 0.00 0.00 0.00 19.45 20.61 2ppb n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ppb n ASP 119 N -2.63 2.63 -4.59 0.00 9.92 -1.26 -4.91 116.55 115.70 2ppb n ASP 119 Ca 0.00 -1.93 -0.31 0.00 -0.53 0.00 0.00 54.79 52.02 2ppb n ASP 119 Cb 0.00 -0.27 -0.10 0.00 -0.64 0.00 0.00 41.12 40.11 2ppb n ASP 119 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2ppb s VAL 120 N -1.46 3.57 0.02 2.53 0.11 -0.88 -2.39 120.40 121.90 2ppb s VAL 120 Ca 0.35 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.48 2ppb s VAL 120 Cb 0.19 -2.60 -0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2ppb s VAL 120 CO 0.26 0.28 -0.12 -0.70 -3.33 0.00 0.00 175.10 171.49 2ppb s GLU 121 N -1.74 0.87 -0.39 1.54 2.12 -0.75 -4.41 118.70 115.94 2ppb s GLU 121 Ca 0.19 -0.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.86 2ppb s GLU 121 Cb -0.11 -0.84 0.06 0.00 0.26 0.00 0.00 34.13 33.50 2ppb s GLU 121 CO 0.10 0.22 0.20 0.42 -0.54 0.00 0.00 175.26 175.66 2ppb s ILE 122 N -0.61 4.04 -2.31 -3.70 1.01 -1.26 -0.46 121.20 117.91 2ppb s ILE 122 Ca 0.02 -1.31 0.25 0.00 0.00 0.00 0.00 60.65 59.60 2ppb s ILE 122 Cb -0.06 -3.41 0.56 0.00 0.01 0.00 0.00 42.46 39.55 2ppb s ILE 122 CO 0.00 -0.39 1.73 0.80 0.00 0.00 0.00 174.94 177.08 2ppb n MET 123 N 4.86 1.55 -2.98 2.79 1.56 -1.14 -4.11 117.12 119.64 2ppb n MET 123 Ca -0.10 -0.81 -0.28 0.00 -0.27 0.00 0.00 57.70 56.24 2ppb n MET 123 Cb 0.44 -1.43 -0.04 0.00 2.15 0.00 0.00 33.22 34.33 2ppb n MET 123 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2ppb n ASN 124 N -0.00 4.55 0.29 6.12 2.85 -1.24 -4.95 115.26 122.88 2ppb n ASN 124 Ca 0.18 -3.66 -0.11 0.00 -0.11 0.00 0.00 54.58 50.88 2ppb n ASN 124 Cb 0.29 -0.60 -0.05 0.00 1.24 0.00 0.00 39.78 40.65 2ppb n ASN 124 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2ppb h PRO 125 N 3.18 -0.70 0.00 1.20 0.11 -1.89 -3.21 132.00 130.70 2ppb h PRO 125 Ca 0.16 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2ppb h PRO 125 Cb 0.51 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2ppb h PRO 125 CO 0.84 -0.47 0.00 -3.47 -0.21 0.00 0.00 178.00 174.69 2ppb n ASP 126 N -3.97 0.00 -4.60 -2.05 2.03 -1.26 -0.23 116.55 106.47 2ppb n ASP 126 Ca -0.09 0.30 -0.47 0.00 0.52 0.00 0.00 54.79 55.05 2ppb n ASP 126 Cb 0.29 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.31 2ppb n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ppb n LEU 127 N -1.34 1.94 -4.59 -2.67 -0.00 -1.21 -4.71 117.00 104.42 2ppb n LEU 127 Ca 0.02 1.15 -0.42 0.00 -0.00 0.00 0.00 56.01 56.76 2ppb n LEU 127 Cb 0.04 -1.28 -0.05 0.00 -0.00 0.00 0.00 43.42 42.13 2ppb n LEU 127 CO 0.03 -1.16 0.61 -2.28 -0.00 0.00 0.00 177.39 174.59 2ppb s HIS 128 N -0.42 3.10 -0.19 1.47 5.65 -1.26 -2.16 115.29 121.47 2ppb s HIS 128 Ca 0.68 0.57 -0.21 0.00 0.25 0.00 0.00 55.06 56.34 2ppb s HIS 128 Cb -0.77 -3.46 -0.20 0.00 -1.18 0.00 0.00 32.58 26.97 2ppb s HIS 128 CO 0.54 -0.77 0.29 0.82 -0.65 0.00 0.00 174.74 174.97 2ppb h ILE 129 N 5.78 0.98 -2.35 0.89 1.08 -1.16 -3.48 117.51 119.26 2ppb h ILE 129 Ca -0.24 -2.21 0.16 0.00 -0.39 0.00 0.00 64.86 62.17 2ppb h ILE 129 Cb 1.09 2.37 -0.10 0.00 -3.07 0.00 0.00 36.82 37.11 2ppb h ILE 129 CO 0.93 0.39 0.48 0.00 -0.69 0.00 0.00 178.15 179.25 2ppb s ALA 130 N -2.37 -1.69 -0.28 1.87 0.00 -1.07 -4.77 121.76 113.46 2ppb s ALA 130 Ca -0.27 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2ppb s ALA 130 Cb 0.05 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.80 2ppb s ALA 130 CO 0.62 -0.95 -0.01 0.99 0.00 0.00 0.00 175.76 176.41 2ppb s THR 131 N -3.26 3.07 -0.18 0.00 2.01 -1.26 0.01 115.64 116.02 2ppb s THR 131 Ca 0.10 -1.18 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 2ppb s THR 131 Cb -0.01 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.77 2ppb s THR 131 CO -0.01 0.01 0.20 -0.76 -0.69 0.00 0.00 174.62 173.37 2ppb s LEU 132 N 1.31 4.23 0.00 4.42 1.02 -0.86 -2.89 118.68 125.90 2ppb s LEU 132 Ca -0.03 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2ppb s LEU 132 Cb -0.18 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 43.82 2ppb s LEU 132 CO -0.02 0.15 0.00 1.21 0.02 0.00 0.00 176.35 177.71 2ppb n GLU 133 N 3.52 0.00 -3.79 1.70 2.13 0.57 -3.03 120.64 121.74 2ppb n GLU 133 Ca -0.14 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.55 2ppb n GLU 133 Cb 0.52 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.12 2ppb n GLU 133 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ppb s GLU 134 N 0.00 0.37 -1.56 5.31 0.41 -1.26 -2.12 118.70 119.85 2ppb s GLU 134 Ca 0.00 0.25 -0.01 0.00 -0.41 0.00 0.00 54.97 54.80 2ppb s GLU 134 Cb 0.00 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.53 2ppb s GLU 134 CO 0.00 -0.06 0.13 0.41 -0.49 0.00 0.00 175.26 175.25 2ppb n GLY 135 N 2.63 -0.50 3.43 -1.39 0.00 -1.26 -4.64 105.19 103.45 2ppb n GLY 135 Ca -0.15 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2ppb n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ppb s GLY 136 N -2.19 1.61 -0.36 -0.02 0.00 -1.26 -4.71 107.32 100.40 2ppb s GLY 136 Ca 0.07 -1.90 -0.10 0.00 0.00 0.00 0.00 44.72 42.80 2ppb s GLY 136 CO 0.09 1.75 0.17 0.50 0.00 0.00 0.00 173.10 175.61 2ppb s ARG 137 N 3.23 2.85 -0.17 2.90 0.52 -1.26 -1.79 118.95 125.22 2ppb s ARG 137 Ca 0.18 -1.05 -0.00 0.00 -0.52 0.00 0.00 55.73 54.33 2ppb s ARG 137 Cb -0.20 -3.63 0.04 0.00 0.52 0.00 0.00 34.95 31.68 2ppb s ARG 137 CO 0.10 -0.65 -0.06 -1.17 0.02 0.00 0.00 175.30 173.54 2ppb s LEU 138 N 1.52 1.75 -0.24 2.53 2.96 -1.07 -4.98 118.68 121.16 2ppb s LEU 138 Ca 0.02 -0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2ppb s LEU 138 Cb -0.19 -0.97 0.07 0.00 0.50 0.00 0.00 46.19 45.60 2ppb s LEU 138 CO 0.06 -0.18 -0.00 0.21 -1.32 0.00 0.00 176.35 175.11 2ppb s ASN 139 N 1.59 3.63 0.15 3.68 3.84 -1.26 -1.35 114.94 125.21 2ppb s ASN 139 Ca 0.00 -1.17 0.02 0.00 0.21 0.00 0.00 52.86 51.93 2ppb s ASN 139 Cb -0.16 -0.99 -0.04 0.00 -0.55 0.00 0.00 41.25 39.51 2ppb s ASN 139 CO -0.08 -0.28 -0.04 0.00 -2.79 0.00 0.00 177.10 173.91 2ppb s MET 140 N 1.54 1.02 -0.24 0.43 0.23 -0.43 -1.83 119.30 120.02 2ppb s MET 140 Ca -0.02 -1.46 0.00 0.00 -1.03 0.00 0.00 55.69 53.19 2ppb s MET 140 Cb -0.18 -0.34 0.07 0.00 -1.53 0.00 0.00 34.83 32.84 2ppb s MET 140 CO -0.09 -0.05 -0.03 -1.21 -2.03 0.00 0.00 175.02 171.61 2ppb s GLU 141 N -3.85 1.45 -0.27 3.16 2.02 -0.92 -2.23 118.70 118.05 2ppb s GLU 141 Ca 0.19 -0.99 -0.07 0.00 0.02 0.00 0.00 54.97 54.12 2ppb s GLU 141 Cb 0.05 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 2ppb s GLU 141 CO 0.01 -0.65 0.08 0.14 0.02 0.00 0.00 175.26 174.85 2ppb s VAL 142 N 1.43 4.14 0.59 2.63 -7.23 -0.52 -1.63 120.40 119.81 2ppb s VAL 142 Ca -0.03 -0.44 -0.18 0.00 -1.81 0.00 0.00 61.98 59.52 2ppb s VAL 142 Cb -0.19 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2ppb s VAL 142 CO -0.08 0.20 1.13 -0.60 -0.31 0.00 0.00 175.10 175.44 2ppb s ARG 143 N 1.56 3.14 -0.08 4.82 6.06 -0.27 -1.20 118.95 132.97 2ppb s ARG 143 Ca 0.05 1.55 -0.04 0.00 -2.50 0.00 0.00 55.73 54.79 2ppb s ARG 143 Cb -0.16 -1.98 0.04 0.00 0.06 0.00 0.00 34.95 32.91 2ppb s ARG 143 CO 0.03 -1.01 0.18 0.08 -2.50 0.00 0.00 175.30 172.08 2ppb s VAL 144 N -1.95 -0.05 0.24 7.11 1.01 -0.12 -2.61 120.40 124.02 2ppb s VAL 144 Ca 0.71 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2ppb s VAL 144 Cb -0.23 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2ppb s VAL 144 CO 0.32 0.07 0.09 -1.81 0.00 0.00 0.00 175.10 173.78 2ppb s ASP 145 N 1.23 0.98 -0.23 3.32 1.11 -1.17 -1.28 116.67 120.63 2ppb s ASP 145 Ca -0.09 -1.36 -0.07 0.00 0.18 0.00 0.00 52.55 51.21 2ppb s ASP 145 Cb -0.11 0.20 -0.03 0.00 1.07 0.00 0.00 42.92 44.05 2ppb s ASP 145 CO -0.07 -0.74 0.05 -0.60 1.18 0.00 0.00 175.17 174.99 2ppb s ARG 146 N -4.05 3.67 0.00 8.23 3.52 -1.17 -2.95 118.95 126.20 2ppb s ARG 146 Ca 0.37 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2ppb s ARG 146 Cb 0.08 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2ppb s ARG 146 CO 0.12 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2ppb n GLY 147 N 4.59 3.83 2.94 8.12 0.00 -0.38 -4.92 105.19 119.35 2ppb n GLY 147 Ca -0.16 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2ppb n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppb s VAL 148 N -2.06 0.03 0.00 1.61 1.01 -1.26 0.85 120.40 120.57 2ppb s VAL 148 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2ppb s VAL 148 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.26 2ppb s VAL 148 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2ppb n GLY 149 N 2.67 -0.00 3.36 4.51 0.00 -1.25 -4.78 105.19 109.71 2ppb n GLY 149 Ca -0.15 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2ppb n GLY 149 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ppb s TYR 150 N 0.00 2.88 -0.23 1.61 5.04 -1.26 -1.84 117.35 123.54 2ppb s TYR 150 Ca 0.00 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.93 2ppb s TYR 150 Cb 0.00 -1.93 0.06 0.00 0.35 0.00 0.00 41.96 40.44 2ppb s TYR 150 CO 0.00 -0.29 -0.04 0.08 -1.34 0.00 0.00 175.55 173.96 2ppb s VAL 151 N 0.66 1.43 0.47 3.14 1.01 -1.02 -5.00 120.40 121.10 2ppb s VAL 151 Ca -0.05 -1.17 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2ppb s VAL 151 Cb -0.15 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 2ppb s VAL 151 CO 0.02 -0.12 1.10 -2.65 0.00 0.00 0.00 175.10 173.45 2ppb n PRO 152 N 4.71 1.43 0.32 2.72 -0.02 -1.26 -1.30 135.00 141.59 2ppb n PRO 152 Ca -0.11 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2ppb n PRO 152 Cb 0.44 -2.21 1.04 0.00 -0.02 0.00 0.00 33.50 32.76 2ppb n PRO 152 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ppb h ALA 153 N 1.43 1.09 0.09 3.55 0.00 -1.92 0.35 119.26 123.86 2ppb h ALA 153 Ca -0.47 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 2ppb h ALA 153 Cb 1.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.13 2ppb h ALA 153 CO 0.56 -0.09 -1.15 0.93 0.00 0.00 0.00 179.25 179.50 2ppb h GLU 154 N 0.00 0.39 -0.22 0.00 3.07 -1.93 -2.79 114.58 113.10 2ppb h GLU 154 Ca 0.00 -0.55 -0.06 0.00 -0.50 0.00 0.00 59.36 58.26 2ppb h GLU 154 Cb 0.19 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2ppb h GLU 154 CO 0.00 1.22 -0.08 -0.22 -1.40 0.00 0.00 179.01 178.53 2ppb h LYS 155 N 0.17 0.44 0.01 2.33 3.64 -1.25 -3.36 116.57 118.54 2ppb h LYS 155 Ca -0.13 -0.18 -0.18 0.00 -1.27 0.00 0.00 60.65 58.89 2ppb h LYS 155 Cb 1.84 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.61 2ppb h LYS 155 CO 0.20 0.70 -0.98 1.12 -2.27 0.00 0.00 179.45 178.22 2ppb h HIS 156 N 0.15 0.02 -5.58 1.91 2.07 -1.70 -3.50 115.15 108.53 2ppb h HIS 156 Ca 0.05 -0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.47 2ppb h HIS 156 Cb 0.56 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 2ppb h HIS 156 CO 0.06 1.38 -0.51 0.41 -3.07 0.00 0.00 177.93 176.20 2ppb n GLY 157 N 1.49 -1.09 3.79 6.13 0.00 -1.05 -4.97 105.19 109.49 2ppb n GLY 157 Ca -0.27 1.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.38 2ppb n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppb s ILE 158 N -2.58 4.32 -0.43 -0.61 -1.09 -1.26 -5.04 121.20 114.51 2ppb s ILE 158 Ca 0.19 1.69 0.05 0.00 -2.23 0.00 0.00 60.65 60.35 2ppb s ILE 158 Cb -0.04 -4.02 0.19 0.00 -1.58 0.00 0.00 42.46 37.00 2ppb s ILE 158 CO 0.79 0.26 0.46 0.29 -1.23 0.00 0.00 174.94 175.51 2ppb n LYS 159 N 0.87 0.36 -0.02 2.79 4.76 -1.26 -4.47 118.16 121.19 2ppb n LYS 159 Ca -0.01 -2.93 -0.13 0.00 -2.87 0.00 0.00 58.31 52.37 2ppb n LYS 159 Cb 0.50 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 2ppb n LYS 159 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2ppb h ASP 160 N 5.16 0.04 -4.14 4.39 3.45 -1.96 -3.44 116.42 119.92 2ppb h ASP 160 Ca 0.18 -0.57 -0.69 0.00 0.43 0.00 0.00 57.03 56.38 2ppb h ASP 160 Cb 0.94 -0.01 -0.24 0.00 -0.56 0.00 0.00 39.33 39.46 2ppb h ASP 160 CO 0.33 0.60 -0.82 -0.60 -1.57 0.00 0.00 179.24 177.17 2ppb s ARG 161 N -3.94 2.12 0.36 3.56 3.52 -1.26 -5.05 118.95 118.25 2ppb s ARG 161 Ca -0.16 -0.94 0.08 0.00 -0.13 0.00 0.00 55.73 54.58 2ppb s ARG 161 Cb 0.01 -2.17 0.78 0.00 -1.56 0.00 0.00 34.95 32.02 2ppb s ARG 161 CO 0.69 0.56 1.91 -0.84 -0.81 0.00 0.00 175.30 176.80 2ppb h ILE 162 N 4.16 0.92 -0.02 4.11 3.07 -1.98 -1.83 117.51 125.94 2ppb h ILE 162 Ca -0.46 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 65.70 2ppb h ILE 162 Cb 1.15 0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 2ppb h ILE 162 CO 0.47 0.13 -0.05 0.59 -1.05 0.00 0.00 178.15 178.24 2ppb n ASN 163 N -4.52 1.67 -4.67 2.16 5.03 -1.26 -4.94 115.26 108.73 2ppb n ASN 163 Ca 0.14 -1.49 -0.31 0.00 0.87 0.00 0.00 54.58 53.80 2ppb n ASN 163 Cb 0.36 0.03 0.16 0.00 -1.02 0.00 0.00 39.78 39.32 2ppb n ASN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ppb s ALA 164 N -2.09 1.35 -0.11 5.41 0.00 -0.69 -4.62 121.76 121.01 2ppb s ALA 164 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2ppb s ALA 164 Cb 0.21 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2ppb s ALA 164 CO 0.36 -2.73 -0.09 0.42 0.00 0.00 0.00 175.76 173.72 2ppb s ILE 165 N -2.68 1.09 0.80 0.00 1.01 -0.00 -4.97 121.20 116.46 2ppb s ILE 165 Ca 0.66 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 2ppb s ILE 165 Cb -0.22 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.25 2ppb s ILE 165 CO 0.58 0.37 1.17 -2.84 0.00 0.00 0.00 174.94 174.22 2ppb s PRO 166 N 1.47 1.75 0.06 2.79 0.02 -1.26 -1.86 135.00 137.96 2ppb s PRO 166 Ca 0.01 1.59 0.05 0.00 0.02 0.00 0.00 61.00 62.67 2ppb s PRO 166 Cb -0.13 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 2ppb s PRO 166 CO -0.06 -2.10 -0.14 0.14 -0.33 0.00 0.00 177.00 174.52 2ppb s VAL 167 N -2.38 1.08 0.27 3.83 -7.23 -0.99 -4.86 120.40 110.13 2ppb s VAL 167 Ca 0.69 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2ppb s VAL 167 Cb -0.25 -1.02 -0.11 0.00 0.56 0.00 0.00 36.38 35.56 2ppb s VAL 167 CO 0.51 -0.14 1.59 -1.81 -0.31 0.00 0.00 175.10 174.95 2ppb s ASP 168 N -1.48 6.41 -0.23 4.85 1.01 -1.26 -4.36 116.67 121.61 2ppb s ASP 168 Ca -0.01 2.90 -0.21 0.00 0.71 0.00 0.00 52.55 55.94 2ppb s ASP 168 Cb -0.09 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2ppb s ASP 168 CO 0.02 -0.90 0.66 0.00 0.21 0.00 0.00 175.17 175.16 2ppb s ALA 169 N 0.17 3.58 -0.66 5.23 0.00 -0.42 -4.75 121.76 124.92 2ppb s ALA 169 Ca 0.64 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2ppb s ALA 169 Cb -0.47 -3.04 0.16 0.00 0.00 0.00 0.00 23.12 19.77 2ppb s ALA 169 CO 0.45 -0.70 0.45 0.08 0.00 0.00 0.00 175.76 176.04 2ppb s VAL 170 N 2.26 3.23 -1.04 0.00 1.01 -1.26 -2.45 120.40 122.15 2ppb s VAL 170 Ca 0.28 -3.60 0.26 0.00 0.00 0.00 0.00 61.98 58.92 2ppb s VAL 170 Cb -0.16 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.19 2ppb s VAL 170 CO 0.09 -0.92 1.56 0.49 0.00 0.00 0.00 175.10 176.32 2ppb n PHE 171 N 2.74 0.00 -2.15 5.22 3.72 -0.77 -4.38 117.46 121.85 2ppb n PHE 171 Ca 0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.10 2ppb n PHE 171 Cb 0.35 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2ppb n PHE 171 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ppb s SER 172 N -2.97 6.28 0.00 4.37 0.15 -1.26 -2.37 113.70 117.90 2ppb s SER 172 Ca 0.13 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2ppb s SER 172 Cb 0.18 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2ppb s SER 172 CO 0.64 -1.38 0.71 -2.65 1.20 0.00 0.00 173.24 171.77 2ppb n PRO 173 N 7.88 0.86 -4.84 5.44 -0.02 -1.26 -4.62 135.00 138.43 2ppb n PRO 173 Ca 0.19 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.41 2ppb n PRO 173 Cb 0.46 -1.14 -0.16 0.00 -0.02 0.00 0.00 33.50 32.64 2ppb n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ppb s VAL 174 N -1.66 1.46 -0.20 -1.45 1.01 -1.26 -0.60 120.40 117.69 2ppb s VAL 174 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2ppb s VAL 174 Cb 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 36.38 34.92 2ppb s VAL 174 CO 0.00 0.42 0.06 -1.14 0.00 0.00 0.00 175.10 174.44 2ppb n ARG 175 N 3.26 0.66 -3.82 2.72 0.63 -0.83 -4.91 116.66 114.36 2ppb n ARG 175 Ca -0.19 0.31 -0.12 0.00 -0.92 0.00 0.00 57.85 56.93 2ppb n ARG 175 Cb 0.53 -1.64 -0.10 0.00 0.45 0.00 0.00 32.46 31.70 2ppb n ARG 175 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2ppb s ARG 176 N -2.50 0.46 0.23 -0.14 3.52 -1.25 -5.04 118.95 114.23 2ppb s ARG 176 Ca -0.30 -0.13 0.11 0.00 -0.13 0.00 0.00 55.73 55.29 2ppb s ARG 176 Cb 0.08 0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.63 2ppb s ARG 176 CO 0.64 -0.10 -0.20 0.08 -0.81 0.00 0.00 175.30 174.90 2ppb s VAL 177 N -0.90 2.52 -0.28 7.11 1.01 -1.26 -1.45 120.40 127.15 2ppb s VAL 177 Ca -0.10 -2.16 -0.18 0.00 0.00 0.00 0.00 61.98 59.54 2ppb s VAL 177 Cb -0.05 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.14 2ppb s VAL 177 CO 0.02 -0.25 0.73 0.00 0.00 0.00 0.00 175.10 175.60 2ppb s ALA 178 N -2.06 -1.89 -0.00 5.51 0.00 -0.34 -4.98 121.76 118.00 2ppb s ALA 178 Ca 0.25 2.31 0.01 0.00 0.00 0.00 0.00 51.96 54.53 2ppb s ALA 178 Cb -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.66 2ppb s ALA 178 CO 0.13 -0.36 -0.02 -0.59 0.00 0.00 0.00 175.76 174.92 2ppb s PHE 179 N 1.29 0.18 0.03 0.00 -0.00 -1.26 0.15 117.98 118.37 2ppb s PHE 179 Ca -0.07 -0.03 0.07 0.00 -0.00 0.00 0.00 56.93 56.90 2ppb s PHE 179 Cb -0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 43.02 42.82 2ppb s PHE 179 CO -0.15 -0.01 -0.22 -0.65 -0.00 0.00 0.00 175.22 174.20 2ppb s GLN 180 N 0.01 1.54 -0.49 1.99 -0.21 -0.17 -4.97 119.66 117.36 2ppb s GLN 180 Ca 0.00 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.49 2ppb s GLN 180 Cb -0.01 -1.62 0.13 0.00 1.00 0.00 0.00 33.01 32.50 2ppb s GLN 180 CO -0.00 0.42 0.23 0.08 -2.12 0.00 0.00 175.29 173.90 2ppb s VAL 181 N -0.72 2.65 -0.07 1.09 1.01 -1.25 -1.89 120.40 121.22 2ppb s VAL 181 Ca 0.08 -3.03 -0.05 0.00 0.00 0.00 0.00 61.98 58.98 2ppb s VAL 181 Cb -0.09 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2ppb s VAL 181 CO 0.01 -0.76 0.16 -1.83 0.00 0.00 0.00 175.10 172.68 2ppb s GLU 182 N 0.04 3.43 0.58 2.72 -1.05 -1.01 -4.81 118.70 118.61 2ppb s GLU 182 Ca 0.15 -0.22 -0.20 0.00 -0.15 0.00 0.00 54.97 54.56 2ppb s GLU 182 Cb -0.24 -3.15 -0.05 0.00 -0.44 0.00 0.00 34.13 30.26 2ppb s GLU 182 CO -0.02 0.73 1.10 -0.25 0.95 0.00 0.00 175.26 177.77 2ppb n ASP 183 N 1.53 1.42 -4.13 0.83 8.00 -1.26 -2.55 116.55 120.39 2ppb n ASP 183 Ca -0.16 0.87 -0.15 0.00 0.71 0.00 0.00 54.79 56.06 2ppb n ASP 183 Cb 0.54 -1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.07 2ppb n ASP 183 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ppb s THR 184 N -1.42 0.84 -0.24 -3.53 -1.32 -1.20 -4.86 115.64 103.90 2ppb s THR 184 Ca 0.75 -1.33 -0.06 0.00 -1.21 0.00 0.00 61.69 59.84 2ppb s THR 184 Cb -0.42 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.55 2ppb s THR 184 CO 0.47 -0.39 0.03 0.00 -2.21 0.00 0.00 174.62 172.52 2ppb s ARG 185 N -2.02 3.58 -0.31 7.08 1.70 -1.26 -4.22 118.95 123.50 2ppb s ARG 185 Ca -0.03 -0.52 -0.06 0.00 -0.47 0.00 0.00 55.73 54.66 2ppb s ARG 185 Cb -0.08 -3.22 0.03 0.00 -0.57 0.00 0.00 34.95 31.12 2ppb s ARG 185 CO 0.01 -0.17 0.07 -0.51 -1.08 0.00 0.00 175.30 173.61 2ppb s LEU 186 N 1.52 3.97 0.00 -1.89 1.02 -1.26 -5.03 118.68 117.01 2ppb s LEU 186 Ca 0.06 -0.96 0.00 0.00 0.02 0.00 0.00 54.13 53.25 2ppb s LEU 186 Cb -0.15 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.23 2ppb s LEU 186 CO 0.01 -0.25 0.00 0.61 0.02 0.00 0.00 176.35 176.75 2ppb n GLY 187 N 4.80 0.00 0.10 -3.19 0.00 -1.26 -2.48 105.19 103.15 2ppb n GLY 187 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2ppb n GLY 187 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2ppb h GLN 188 N 0.00 -0.21 -5.24 1.61 3.07 -2.03 -3.45 115.11 108.86 2ppb h GLN 188 Ca 0.00 0.01 -0.65 0.00 0.09 0.00 0.00 58.65 58.10 2ppb h GLN 188 Cb 0.00 0.05 -0.26 0.00 0.08 0.00 0.00 27.48 27.35 2ppb h GLN 188 CO 0.00 -0.14 -0.74 0.50 0.09 0.00 0.00 178.83 178.54 2ppb s ARG 189 N -2.50 3.44 0.29 0.06 6.06 -1.04 -5.02 118.95 120.24 2ppb s ARG 189 Ca -0.03 -0.64 0.12 0.00 -2.50 0.00 0.00 55.73 52.68 2ppb s ARG 189 Cb 0.00 -2.77 0.40 0.00 0.06 0.00 0.00 34.95 32.65 2ppb s ARG 189 CO 0.10 0.13 1.63 1.79 -2.50 0.00 0.00 175.30 176.44 2ppb h THR 190 N 5.42 1.34 -0.73 4.11 1.35 -1.88 -3.36 112.91 119.15 2ppb h THR 190 Ca -0.30 -2.03 -0.26 0.00 -0.55 0.00 0.00 66.41 63.27 2ppb h THR 190 Cb 1.20 2.12 -0.04 0.00 -1.73 0.00 0.00 68.15 69.70 2ppb h THR 190 CO 0.58 0.57 0.66 1.51 -0.25 0.00 0.00 175.52 178.59 2ppb s ASP 191 N -6.76 4.93 0.04 5.36 1.47 -1.26 -4.57 116.67 115.87 2ppb s ASP 191 Ca -0.01 -0.48 -0.03 0.00 1.18 0.00 0.00 52.55 53.21 2ppb s ASP 191 Cb 0.12 -2.56 -0.02 0.00 -0.34 0.00 0.00 42.92 40.12 2ppb s ASP 191 CO 0.75 -2.92 0.03 -0.76 0.68 0.00 0.00 175.17 172.95 2ppb s LEU 192 N 10.85 2.10 -0.09 2.11 1.02 -1.26 -4.74 118.68 128.67 2ppb s LEU 192 Ca 0.74 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 54.17 2ppb s LEU 192 Cb -0.08 0.39 -0.03 0.00 0.02 0.00 0.00 46.19 46.49 2ppb s LEU 192 CO 0.02 -0.52 -0.01 -1.81 0.02 0.00 0.00 176.35 174.05 2ppb s ASP 193 N -2.33 5.11 -0.18 2.29 1.11 -1.07 -3.28 116.67 118.31 2ppb s ASP 193 Ca -0.02 0.09 -0.00 0.00 0.18 0.00 0.00 52.55 52.80 2ppb s ASP 193 Cb 0.01 -1.45 0.05 0.00 1.07 0.00 0.00 42.92 42.59 2ppb s ASP 193 CO -0.06 0.35 -0.05 -0.75 1.18 0.00 0.00 175.17 175.84 2ppb s LYS 194 N -0.74 1.45 -0.22 8.23 2.20 -1.06 -2.00 119.74 127.60 2ppb s LYS 194 Ca 0.11 -0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2ppb s LYS 194 Cb -0.11 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2ppb s LYS 194 CO 0.02 -0.48 0.04 -1.17 -0.36 0.00 0.00 175.35 173.41 2ppb s LEU 195 N 1.59 3.43 -0.20 5.43 2.96 -1.07 -2.40 118.68 128.42 2ppb s LEU 195 Ca -0.01 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2ppb s LEU 195 Cb -0.16 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.68 2ppb s LEU 195 CO -0.07 0.03 -0.09 0.42 -1.32 0.00 0.00 176.35 175.32 2ppb s THR 196 N 1.19 1.56 -0.19 3.68 -4.23 -0.79 -0.84 115.64 116.03 2ppb s THR 196 Ca 0.04 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2ppb s THR 196 Cb -0.14 -1.68 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 2ppb s THR 196 CO 0.03 0.12 -0.10 -1.48 -0.54 0.00 0.00 174.62 172.65 2ppb s LEU 197 N 1.43 2.69 -0.18 4.79 2.34 -0.17 -1.00 118.68 128.57 2ppb s LEU 197 Ca -0.02 -0.43 -0.18 0.00 0.06 0.00 0.00 54.13 53.56 2ppb s LEU 197 Cb -0.16 -1.65 -0.03 0.00 -0.56 0.00 0.00 46.19 43.78 2ppb s LEU 197 CO -0.08 0.04 0.51 -0.13 -1.06 0.00 0.00 176.35 175.63 2ppb s ARG 198 N 1.12 4.23 -0.06 1.48 0.52 0.40 -1.87 118.95 124.78 2ppb s ARG 198 Ca 0.01 0.43 0.05 0.00 -0.52 0.00 0.00 55.73 55.70 2ppb s ARG 198 Cb -0.14 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 2ppb s ARG 198 CO -0.03 -0.06 -0.21 0.42 0.02 0.00 0.00 175.30 175.44 2ppb s ILE 199 N 1.35 1.77 -0.11 1.52 1.09 -0.96 -1.20 121.20 124.68 2ppb s ILE 199 Ca 0.25 -0.90 -0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2ppb s ILE 199 Cb -0.15 -1.52 -0.03 0.00 -1.06 0.00 0.00 42.46 39.70 2ppb s ILE 199 CO 0.10 0.50 -0.07 0.26 -0.10 0.00 0.00 174.94 175.63 2ppb s TRP 200 N 0.03 2.95 0.03 3.97 0.51 -0.53 -2.37 118.94 123.52 2ppb s TRP 200 Ca -0.06 -0.19 0.05 0.00 -2.12 0.00 0.00 56.10 53.78 2ppb s TRP 200 Cb -0.14 -1.82 -0.02 0.00 -0.81 0.00 0.00 33.47 30.69 2ppb s TRP 200 CO 0.04 0.12 -0.15 0.95 -0.51 0.00 0.00 176.95 177.40 2ppb s THR 201 N -0.23 1.20 0.59 2.01 -4.23 0.17 -1.96 115.64 113.20 2ppb s THR 201 Ca 0.03 -0.95 0.43 0.00 -1.18 0.00 0.00 61.69 60.02 2ppb s THR 201 Cb -0.13 -1.06 0.44 0.00 1.34 0.00 0.00 72.50 73.09 2ppb s THR 201 CO 0.03 0.10 2.32 -2.24 -0.54 0.00 0.00 174.62 174.29 2ppb h ASP 202 N 5.10 0.00 0.00 3.99 -0.00 -1.14 -3.37 116.42 120.99 2ppb h ASP 202 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 2ppb h ASP 202 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 2ppb h ASP 202 CO 0.45 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 180.30 2ppb n GLY 203 N -0.94 0.80 0.33 7.15 0.00 -1.26 -4.88 105.19 106.39 2ppb n GLY 203 Ca -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 2ppb n GLY 203 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ppb h SER 204 N 2.00 -1.08 -1.33 1.61 0.87 -1.86 -3.43 113.55 110.34 2ppb h SER 204 Ca 0.00 0.21 -0.64 0.00 -1.23 0.00 0.00 61.79 60.13 2ppb h SER 204 Cb 0.00 0.54 -0.13 0.00 -0.44 0.00 0.00 62.40 62.37 2ppb h SER 204 CO 0.00 -0.30 -0.58 0.68 -0.53 0.00 0.00 176.83 176.11 2ppb s VAL 205 N -6.02 1.80 0.20 2.23 -7.23 -1.26 -4.63 120.40 105.49 2ppb s VAL 205 Ca -0.14 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.09 2ppb s VAL 205 Cb 0.16 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2ppb s VAL 205 CO 0.69 0.00 0.22 0.28 -0.31 0.00 0.00 175.10 175.98 2ppb s THR 206 N -2.75 4.76 0.23 5.32 -1.32 -1.26 -4.73 115.64 115.88 2ppb s THR 206 Ca 0.28 -1.10 -0.07 0.00 -1.21 0.00 0.00 61.69 59.59 2ppb s THR 206 Cb 0.08 -3.51 0.18 0.00 -1.51 0.00 0.00 72.50 67.74 2ppb s THR 206 CO 0.14 -0.22 1.75 -0.65 -2.21 0.00 0.00 174.62 173.43 2ppb h PRO 207 N 1.85 0.47 -0.07 7.08 0.11 -1.85 0.06 132.00 139.65 2ppb h PRO 207 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ppb h PRO 207 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2ppb h PRO 207 CO 0.63 0.31 0.04 1.25 -0.21 0.00 0.00 178.00 180.02 2ppb h LEU 208 N 0.49 0.08 -0.28 2.35 5.85 -1.94 -1.14 115.31 120.71 2ppb h LEU 208 Ca 0.35 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2ppb h LEU 208 Cb 0.45 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2ppb h LEU 208 CO -0.32 0.10 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.47 2ppb h GLU 209 N 0.05 -0.01 -0.01 1.25 5.08 -1.76 -1.60 114.58 117.58 2ppb h GLU 209 Ca 0.02 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2ppb h GLU 209 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2ppb h GLU 209 CO -0.00 -0.01 -0.26 0.00 -1.00 0.00 0.00 179.01 177.74 2ppb h ALA 210 N 1.26 -0.34 -0.44 3.43 0.00 -0.79 -1.15 119.26 121.25 2ppb h ALA 210 Ca 0.14 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2ppb h ALA 210 Cb 0.22 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2ppb h ALA 210 CO -0.30 -0.76 -0.12 1.25 0.00 0.00 0.00 179.25 179.33 2ppb h LEU 211 N -0.39 -0.43 -0.29 0.00 5.85 -0.90 0.66 115.31 119.81 2ppb h LEU 211 Ca 0.07 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2ppb h LEU 211 Cb 0.48 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2ppb h LEU 211 CO -0.24 -0.15 0.07 -1.13 -0.34 0.00 0.00 178.44 176.65 2ppb h ASN 212 N -0.01 0.03 -0.78 1.25 -0.00 -0.89 -0.87 115.58 114.32 2ppb h ASN 212 Ca 0.21 0.04 0.04 0.00 -0.00 0.00 0.00 56.30 56.59 2ppb h ASN 212 Cb 0.33 0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.65 2ppb h ASN 212 CO -0.46 0.05 0.49 1.56 -0.00 0.00 0.00 177.43 179.08 2ppb h GLN 213 N 0.18 0.91 0.71 6.67 4.20 -0.33 -2.26 115.11 125.18 2ppb h GLN 213 Ca 0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2ppb h GLN 213 Cb 0.13 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2ppb h GLN 213 CO -0.17 0.60 -0.43 0.00 -0.67 0.00 0.00 178.83 178.16 2ppb h ALA 214 N 1.34 -1.10 -0.40 3.87 0.00 -0.15 -0.78 119.26 122.04 2ppb h ALA 214 Ca 0.32 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2ppb h ALA 214 Cb 0.06 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ppb h ALA 214 CO -0.13 -1.14 0.27 -0.24 0.00 0.00 0.00 179.25 178.02 2ppb h VAL 215 N -1.07 0.88 -0.14 0.00 3.04 -1.11 -1.78 116.25 116.07 2ppb h VAL 215 Ca -0.09 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.51 2ppb h VAL 215 Cb 0.86 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2ppb h VAL 215 CO 0.10 0.03 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.56 2ppb h GLU 216 N 0.16 0.27 -0.08 4.17 4.22 -1.00 0.01 114.58 122.34 2ppb h GLU 216 Ca 0.18 -0.11 0.01 0.00 0.08 0.00 0.00 59.36 59.52 2ppb h GLU 216 Cb 0.51 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ppb h GLU 216 CO -0.03 0.57 0.05 0.82 -2.18 0.00 0.00 179.01 178.25 2ppb h ILE 217 N -0.05 1.01 -0.04 2.32 2.04 -0.34 0.11 117.51 122.55 2ppb h ILE 217 Ca 0.03 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2ppb h ILE 217 Cb 0.48 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2ppb h ILE 217 CO 0.02 0.01 -0.18 0.25 0.00 0.00 0.00 178.15 178.25 2ppb h LEU 218 N 0.08 0.22 -0.18 1.44 5.85 -1.12 -2.86 115.31 118.75 2ppb h LEU 218 Ca 0.03 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 2ppb h LEU 218 Cb 0.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2ppb h LEU 218 CO -0.01 0.84 0.09 -0.09 -0.34 0.00 0.00 178.44 178.93 2ppb h ARG 219 N -0.38 0.25 -0.88 1.25 2.43 -0.55 -1.30 114.38 115.22 2ppb h ARG 219 Ca -0.01 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 2ppb h ARG 219 Cb 0.83 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.27 2ppb h ARG 219 CO 0.04 0.29 0.57 0.93 -1.51 0.00 0.00 179.97 180.29 2ppb h GLU 220 N 0.16 0.55 0.00 0.20 5.08 -0.90 0.91 114.58 120.58 2ppb h GLU 220 Ca 0.06 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2ppb h GLU 220 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ppb h GLU 220 CO -0.01 0.36 -0.69 0.45 -1.00 0.00 0.00 179.01 178.12 2ppb h HIS 221 N 0.56 0.00 0.00 4.33 3.86 -1.20 -3.05 115.15 119.65 2ppb h HIS 221 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 2ppb h HIS 221 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2ppb h HIS 221 CO -0.00 0.69 0.00 1.25 0.86 0.00 0.00 177.93 180.73 2ppb h LEU 222 N 0.00 0.00 0.00 2.43 5.85 0.33 -2.80 115.31 121.12 2ppb h LEU 222 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2ppb h LEU 222 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2ppb h LEU 222 CO 0.09 0.00 -0.66 0.71 -0.34 0.00 0.00 178.44 178.24 2ppb h THR 223 N 0.00 0.00 0.00 1.05 1.35 -1.34 -3.32 112.91 110.65 2ppb h THR 223 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2ppb h THR 223 Cb 0.53 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2ppb h THR 223 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 2ppb n TYR 224 N -2.78 0.00 -0.22 4.73 4.01 -1.06 -2.20 117.16 119.64 2ppb n TYR 224 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 2ppb n TYR 224 Cb 0.54 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.85 2ppb n TYR 224 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2ppb n PHE 225 N -0.86 1.33 0.01 -0.72 3.01 -1.25 -4.69 117.46 114.29 2ppb n PHE 225 Ca 0.09 -0.49 -0.01 0.00 1.01 0.00 0.00 57.45 58.05 2ppb n PHE 225 Cb 0.04 -0.31 -0.00 0.00 -0.01 0.00 0.00 39.48 39.19 2ppb n PHE 225 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2ppb h SER 226 N 2.93 -0.05 -3.44 4.37 0.87 -1.75 -3.44 113.55 113.04 2ppb h SER 226 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2ppb h SER 226 Cb 1.38 0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.21 2ppb h SER 226 CO 0.28 0.12 0.24 0.54 -0.53 0.00 0.00 176.83 177.47 2ppb s ASN 227 N -3.77 6.32 0.95 6.23 6.03 -1.26 -5.05 114.94 124.39 2ppb s ASN 227 Ca -0.01 -0.44 -0.12 0.00 -1.03 0.00 0.00 52.86 51.26 2ppb s ASN 227 Cb 0.00 -2.35 0.16 0.00 -3.03 0.00 0.00 41.25 36.04 2ppb s ASN 227 CO 0.03 -0.92 1.09 -2.84 -2.03 0.00 0.00 177.10 172.42 2ppb s PRO 228 N 3.08 0.78 0.00 3.55 0.02 -1.26 -5.20 135.00 135.97 2ppb s PRO 228 Ca 0.24 0.95 0.00 0.00 0.02 0.00 0.00 61.00 62.21 2ppb s PRO 228 Cb -0.15 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.63 2ppb s PRO 228 CO 0.18 -2.61 0.00 0.94 -0.33 0.00 0.00 177.00 175.18