#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 0.34 0.00 4.03 -0.00 -1.26 -4.43 117.00 115.68 2ppb n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2ppb n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2ppb n LEU 2 CO 0.00 -0.16 0.00 -0.67 -0.00 0.00 0.00 177.39 176.56 2ppb n ASP 3 N -2.48 0.00 0.07 1.45 2.03 -1.26 -4.27 116.55 112.10 2ppb n ASP 3 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2ppb n ASP 3 Cb 0.20 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.46 2ppb n ASP 3 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ppb h SER 4 N 0.00 0.30 0.21 1.67 0.02 -1.98 -3.08 113.55 110.69 2ppb h SER 4 Ca 0.00 -0.37 -0.30 0.00 -0.84 0.00 0.00 61.79 60.28 2ppb h SER 4 Cb 0.00 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 62.48 2ppb h SER 4 CO 0.00 1.30 -1.29 0.50 -1.14 0.00 0.00 176.83 176.20 2ppb h LYS 5 N 0.05 0.51 -0.75 3.45 1.63 -1.95 -3.25 116.57 116.26 2ppb h LYS 5 Ca -0.17 -0.83 -0.02 0.00 -0.85 0.00 0.00 60.65 58.78 2ppb h LYS 5 Cb 1.96 0.30 -0.04 0.00 -0.60 0.00 0.00 32.23 33.85 2ppb h LYS 5 CO 0.16 1.39 0.37 1.25 -3.45 0.00 0.00 179.45 179.17 2ppb h LEU 6 N 0.06 0.96 -6.96 5.20 5.85 -1.74 -3.06 115.31 115.63 2ppb h LEU 6 Ca -0.22 -0.10 -0.54 0.00 0.84 0.00 0.00 57.88 57.86 2ppb h LEU 6 Cb 2.01 -0.25 0.05 0.00 0.37 0.00 0.00 40.66 42.85 2ppb h LEU 6 CO 0.24 0.80 1.74 1.17 -0.34 0.00 0.00 178.44 182.05 2ppb n LYS 7 N -4.33 1.09 -4.41 1.25 4.81 -1.16 -4.83 118.16 110.59 2ppb n LYS 7 Ca 0.07 -1.76 -0.26 0.00 -0.87 0.00 0.00 58.31 55.50 2ppb n LYS 7 Cb 0.13 -3.03 -0.11 0.00 0.02 0.00 0.00 35.03 32.04 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 7.28 2.68 -0.28 3.14 0.00 -1.16 -4.90 121.76 128.52 2ppb s ALA 8 Ca 0.63 -1.66 -0.36 0.00 0.00 0.00 0.00 51.96 50.57 2ppb s ALA 8 Cb 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 2ppb s ALA 8 CO 0.18 0.40 2.04 -2.30 0.00 0.00 0.00 175.76 176.07 2ppb n PRO 9 N -0.01 1.32 -2.49 0.00 -0.02 -1.26 -4.48 135.00 128.05 2ppb n PRO 9 Ca -0.10 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2ppb n PRO 9 Cb 0.57 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 5.90 3.76 -0.34 -1.45 1.01 0.93 -4.81 120.40 125.40 2ppb s VAL 10 Ca 1.04 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 2ppb s VAL 10 Cb -0.87 -4.73 0.02 0.00 0.00 0.00 0.00 36.38 30.80 2ppb s VAL 10 CO 0.53 -1.58 1.13 0.12 0.00 0.00 0.00 175.10 175.30 2ppb s PHE 11 N 5.92 3.01 -0.09 5.22 5.36 -1.26 -3.69 117.98 132.45 2ppb s PHE 11 Ca 0.42 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.47 2ppb s PHE 11 Cb -0.09 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 38.73 2ppb s PHE 11 CO 0.19 -1.03 -0.13 0.95 -1.46 0.00 0.00 175.22 173.74 2ppb s THR 12 N 3.91 3.11 0.04 0.12 -4.23 0.12 -5.02 115.64 113.69 2ppb s THR 12 Ca 0.48 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 60.39 2ppb s THR 12 Cb -0.12 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 2ppb s THR 12 CO 0.19 0.56 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.94 2ppb s VAL 13 N -0.22 1.63 -0.33 2.29 1.01 -1.26 -1.72 120.40 121.79 2ppb s VAL 13 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.80 2ppb s VAL 13 Cb -0.13 -1.42 0.14 0.00 0.00 0.00 0.00 36.38 34.97 2ppb s VAL 13 CO 0.03 0.19 0.28 -0.60 0.00 0.00 0.00 175.10 175.00 2ppb s ARG 14 N -1.18 0.44 -0.12 2.72 3.52 -1.10 -5.04 118.95 118.19 2ppb s ARG 14 Ca 0.07 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 2ppb s ARG 14 Cb -0.09 -0.85 0.01 0.00 -1.56 0.00 0.00 34.95 32.46 2ppb s ARG 14 CO 0.02 -1.11 -0.18 -0.08 -0.81 0.00 0.00 175.30 173.14 2ppb s THR 15 N 1.82 1.70 -0.23 4.11 -1.32 -1.26 -0.91 115.64 119.56 2ppb s THR 15 Ca 0.13 -0.77 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 2ppb s THR 15 Cb -0.16 -1.53 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 2ppb s THR 15 CO -0.19 0.48 0.01 -1.10 -2.21 0.00 0.00 174.62 171.61 2ppb s GLN 16 N 0.90 3.52 2.40 7.08 -1.52 -1.07 -5.00 119.66 125.98 2ppb s GLN 16 Ca -0.07 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.79 2ppb s GLN 16 Cb -0.15 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 2ppb s GLN 16 CO -0.01 -0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 2ppb n GLY 17 N 4.74 -0.21 0.82 3.09 0.00 -1.26 -3.33 105.19 109.04 2ppb n GLY 17 Ca -0.17 -1.01 0.07 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 -0.50 2.60 -0.12 1.61 1.74 -1.26 -4.60 116.66 116.13 2ppb n ARG 18 Ca 0.00 -2.12 -0.21 0.00 -0.77 0.00 0.00 57.85 54.75 2ppb n ARG 18 Cb 0.00 -1.35 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.85 0.56 -4.12 5.56 4.71 -1.25 -3.95 120.64 122.98 2ppb n GLU 19 Ca 0.15 0.30 -0.31 0.00 -0.01 0.00 0.00 57.16 57.29 2ppb n GLU 19 Cb 0.47 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 29.31 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 -2.59 3.12 -0.30 -0.32 6.04 -1.21 0.36 117.35 122.45 2ppb s TYR 20 Ca -0.33 0.06 -0.05 0.00 0.04 0.00 0.00 57.07 56.79 2ppb s TYR 20 Cb 0.10 -1.62 0.19 0.00 -1.04 0.00 0.00 41.96 39.59 2ppb s TYR 20 CO 0.47 0.50 0.80 0.20 -1.54 0.00 0.00 175.55 175.98 2ppb s GLY 21 N -2.14 -0.82 0.29 8.97 0.00 -0.91 -2.58 107.32 110.13 2ppb s GLY 21 Ca 0.26 2.06 -0.19 0.00 0.00 0.00 0.00 44.72 46.84 2ppb s GLY 21 CO 0.18 3.66 0.78 -0.54 0.00 0.00 0.00 173.10 177.18 2ppb s GLU 22 N 2.90 4.22 -0.20 2.90 2.02 -0.08 -2.33 118.70 128.12 2ppb s GLU 22 Ca 0.13 0.89 -0.04 0.00 0.02 0.00 0.00 54.97 55.97 2ppb s GLU 22 Cb -0.11 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.53 2ppb s GLU 22 CO -0.19 0.26 0.06 -0.06 0.02 0.00 0.00 175.26 175.36 2ppb s PHE 23 N -1.75 0.75 -0.13 1.61 0.08 -0.71 -2.69 117.98 115.15 2ppb s PHE 23 Ca 0.49 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 2ppb s PHE 23 Cb -0.14 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2ppb s PHE 23 CO 0.19 -0.60 0.05 0.08 -0.10 0.00 0.00 175.22 174.84 2ppb s VAL 24 N 1.95 4.72 -0.15 -0.44 1.01 -0.70 -1.05 120.40 125.74 2ppb s VAL 24 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2ppb s VAL 24 Cb -0.17 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.24 2ppb s VAL 24 CO -0.11 0.56 0.22 -0.22 0.00 0.00 0.00 175.10 175.55 2ppb s LEU 25 N -0.49 -0.16 0.12 3.92 0.20 0.23 -0.70 118.68 121.80 2ppb s LEU 25 Ca 0.10 0.18 -0.17 0.00 0.69 0.00 0.00 54.13 54.93 2ppb s LEU 25 Cb -0.12 0.46 0.04 0.00 -0.43 0.00 0.00 46.19 46.14 2ppb s LEU 25 CO 0.02 -0.28 0.42 -0.70 -0.29 0.00 0.00 176.35 175.52 2ppb s GLU 26 N 2.35 1.08 0.58 1.98 -6.30 -1.24 -2.33 118.70 114.81 2ppb s GLU 26 Ca 0.04 -0.65 -0.07 0.00 -2.50 0.00 0.00 54.97 51.79 2ppb s GLU 26 Cb -0.14 0.48 -0.01 0.00 0.00 0.00 0.00 34.13 34.46 2ppb s GLU 26 CO -0.09 -0.42 0.91 -2.14 0.02 0.00 0.00 175.26 173.53 2ppb s PRO 27 N -3.69 3.16 0.09 4.30 0.02 -1.26 -0.05 135.00 137.58 2ppb s PRO 27 Ca 0.02 0.20 0.04 0.00 0.02 0.00 0.00 61.00 61.28 2ppb s PRO 27 Cb 0.01 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 2ppb s PRO 27 CO -0.11 -0.59 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.34 2ppb s LEU 28 N -4.99 2.36 0.00 -5.54 1.43 -0.79 -4.25 118.68 106.90 2ppb s LEU 28 Ca 0.53 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2ppb s LEU 28 Cb -0.11 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.72 2ppb s LEU 28 CO 0.47 -0.19 0.00 1.21 0.23 0.00 0.00 176.35 178.07 2ppb n GLU 29 N 0.80 3.10 -3.10 1.70 0.00 -1.26 -2.76 120.64 119.12 2ppb n GLU 29 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.58 2ppb n GLU 29 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.94 2ppb n GLU 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2ppb s ARG 30 N 0.00 4.17 -1.38 5.31 6.06 -1.26 -3.37 118.95 128.48 2ppb s ARG 30 Ca 0.00 0.61 -0.06 0.00 -2.50 0.00 0.00 55.73 53.78 2ppb s ARG 30 Cb 0.00 -3.61 0.03 0.00 0.06 0.00 0.00 34.95 31.43 2ppb s ARG 30 CO 0.00 -0.33 0.88 0.41 -2.50 0.00 0.00 175.30 173.77 2ppb n GLY 31 N 3.94 -0.40 0.09 8.12 0.00 -1.26 -4.91 105.19 110.77 2ppb n GLY 31 Ca -0.01 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.49 0.00 -0.23 1.61 3.01 -1.26 -3.79 117.46 112.31 2ppb n PHE 32 Ca -0.15 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.37 2ppb n PHE 32 Cb 0.61 -0.85 0.31 0.00 -0.01 0.00 0.00 39.48 39.55 2ppb n PHE 32 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2ppb h GLY 33 N 3.18 1.11 1.15 1.37 0.00 -1.89 0.43 103.07 108.42 2ppb h GLY 33 Ca -0.47 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.32 2ppb h GLY 33 CO 0.01 0.25 -0.61 -2.08 0.00 0.00 0.00 176.54 174.11 2ppb h VAL 34 N 0.85 1.27 -0.13 4.60 2.07 -1.97 0.14 116.25 123.08 2ppb h VAL 34 Ca 0.35 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 2ppb h VAL 34 Cb 0.26 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2ppb h VAL 34 CO -0.13 0.58 -0.05 0.74 0.02 0.00 0.00 177.57 178.74 2ppb h THR 35 N 0.64 1.12 0.03 2.57 2.02 -1.38 -2.27 112.91 115.64 2ppb h THR 35 Ca -0.00 -0.48 -0.37 0.00 0.77 0.00 0.00 66.41 66.32 2ppb h THR 35 Cb 1.22 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 2ppb h THR 35 CO 0.13 0.15 -2.16 0.18 0.37 0.00 0.00 175.52 174.20 2ppb n LEU 36 N -4.37 2.47 -0.08 2.58 4.77 0.04 -4.34 117.00 118.07 2ppb n LEU 36 Ca -0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2ppb n LEU 36 Cb 0.19 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 2ppb n LEU 36 CO 0.36 0.72 0.94 1.23 -1.33 0.00 0.00 177.39 179.32 2ppb h GLY 37 N 0.58 0.37 0.92 -0.72 0.00 -0.72 -2.56 103.07 100.94 2ppb h GLY 37 Ca -0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2ppb h GLY 37 CO -0.14 0.05 0.04 -0.57 0.00 0.00 0.00 176.54 175.92 2ppb h ASN 38 N 0.26 0.10 0.24 0.19 -0.73 -1.63 -1.31 115.58 112.69 2ppb h ASN 38 Ca 0.13 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2ppb h ASN 38 Cb 0.08 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 2ppb h ASN 38 CO -0.12 0.17 -0.22 -0.65 -0.37 0.00 0.00 177.43 176.24 2ppb h PRO 39 N 0.02 -0.47 -0.95 6.67 0.11 -1.74 -1.11 132.00 134.54 2ppb h PRO 39 Ca 0.03 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.36 2ppb h PRO 39 Cb 0.09 0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.23 2ppb h PRO 39 CO -0.00 -0.31 0.60 -0.07 -0.21 0.00 0.00 178.00 178.01 2ppb h LEU 40 N -0.49 0.59 -0.01 2.35 3.38 -1.44 -0.81 115.31 118.89 2ppb h LEU 40 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ppb h LEU 40 Cb 0.45 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ppb h LEU 40 CO -0.04 0.24 0.00 -0.09 0.09 0.00 0.00 178.44 178.64 2ppb h ARG 41 N 0.59 0.02 0.00 1.13 2.43 -0.34 -0.31 114.38 117.91 2ppb h ARG 41 Ca 0.51 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 2ppb h ARG 41 Cb 1.00 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2ppb h ARG 41 CO -0.25 0.16 -0.05 0.00 -1.51 0.00 0.00 179.97 178.32 2ppb h ARG 42 N -0.13 0.00 0.00 0.20 3.08 0.01 -2.68 114.38 114.85 2ppb h ARG 42 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2ppb h ARG 42 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ppb h ARG 42 CO -0.00 0.05 -0.06 0.82 -1.07 0.00 0.00 179.97 179.71 2ppb h ILE 43 N 0.00 1.37 -0.45 2.04 1.08 -1.00 -3.17 117.51 117.38 2ppb h ILE 43 Ca -0.00 -2.05 0.13 0.00 -0.39 0.00 0.00 64.86 62.55 2ppb h ILE 43 Cb 0.12 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 2ppb h ILE 43 CO 0.01 0.46 0.52 -0.07 -0.69 0.00 0.00 178.15 178.38 2ppb h LEU 44 N -1.00 0.00 0.04 1.44 3.38 -0.82 0.34 115.31 118.69 2ppb h LEU 44 Ca -0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 2ppb h LEU 44 Cb 0.80 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2ppb h LEU 44 CO -0.01 0.00 -2.27 -0.11 0.09 0.00 0.00 178.44 176.14 2ppb n LEU 45 N -3.61 2.40 -0.11 1.67 0.00 -1.03 -4.46 117.00 111.85 2ppb n LEU 45 Ca 0.08 0.02 -0.13 0.00 0.00 0.00 0.00 56.01 55.98 2ppb n LEU 45 Cb 0.70 -0.74 -0.13 0.00 0.00 0.00 0.00 43.42 43.24 2ppb n LEU 45 CO 0.26 0.83 -1.21 -0.24 0.00 0.00 0.00 177.39 177.02 2ppb n SER 46 N -3.26 1.12 0.05 1.96 2.88 -0.95 -4.25 113.62 111.16 2ppb n SER 46 Ca -0.38 -0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 56.88 2ppb n SER 46 Cb 1.03 0.32 -0.14 0.00 -0.75 0.00 0.00 64.21 64.67 2ppb n SER 46 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ppb h SER 47 N 0.00 0.51 -2.24 -3.46 0.02 -0.56 -2.52 113.55 105.31 2ppb h SER 47 Ca -0.54 -0.87 -0.59 0.00 -0.84 0.00 0.00 61.79 58.96 2ppb h SER 47 Cb 2.03 -0.17 0.05 0.00 0.14 0.00 0.00 62.40 64.46 2ppb h SER 47 CO -0.03 1.75 0.87 -0.38 -1.14 0.00 0.00 176.83 177.90 2ppb n ILE 48 N -3.52 0.13 -2.22 3.27 5.41 -1.21 -4.77 119.36 116.44 2ppb n ILE 48 Ca -0.26 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.12 2ppb n ILE 48 Cb 1.06 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 2ppb n ILE 48 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2ppb s PRO 49 N 1.59 3.34 0.00 0.38 0.02 -1.26 -4.21 135.00 134.86 2ppb s PRO 49 Ca 0.82 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2ppb s PRO 49 Cb -0.67 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2ppb s PRO 49 CO 0.40 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2ppb n GLY 50 N -0.08 3.55 3.31 0.52 0.00 0.15 -4.57 105.19 108.06 2ppb n GLY 50 Ca 0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.58 -0.72 0.03 2.61 -4.23 -1.26 -2.91 115.64 107.59 2ppb s THR 51 Ca 0.00 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2ppb s THR 51 Cb 0.00 -0.74 -0.03 0.00 1.34 0.00 0.00 72.50 73.07 2ppb s THR 51 CO 0.00 0.04 -0.03 0.00 -0.54 0.00 0.00 174.62 174.09 2ppb s ALA 52 N 2.67 0.29 -0.13 3.99 0.00 -1.15 -4.47 121.76 122.97 2ppb s ALA 52 Ca -0.01 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2ppb s ALA 52 Cb -0.12 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2ppb s ALA 52 CO -0.14 -0.24 1.87 0.08 0.00 0.00 0.00 175.76 177.32 2ppb s VAL 53 N -2.46 3.32 -0.13 0.00 1.01 -1.26 -3.10 120.40 117.77 2ppb s VAL 53 Ca -0.06 0.36 0.19 0.00 0.00 0.00 0.00 61.98 62.47 2ppb s VAL 53 Cb -0.03 -3.31 -0.21 0.00 0.00 0.00 0.00 36.38 32.84 2ppb s VAL 53 CO -0.05 -0.11 0.57 0.41 0.00 0.00 0.00 175.10 175.92 2ppb n THR 54 N 6.38 0.85 -3.48 3.92 -1.04 -1.10 -4.43 114.28 115.38 2ppb n THR 54 Ca 0.22 -0.66 -0.10 0.00 -2.04 0.00 0.00 64.05 61.47 2ppb n THR 54 Cb 0.44 -0.43 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -5.32 -0.43 0.02 8.00 0.15 -1.26 -2.05 113.70 112.81 2ppb s SER 55 Ca -0.06 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.53 2ppb s SER 55 Cb 0.10 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2ppb s SER 55 CO 0.84 -0.77 0.08 -0.69 1.20 0.00 0.00 173.24 173.90 2ppb s VAL 56 N -3.37 0.11 -0.29 4.45 1.01 -0.84 -0.46 120.40 121.01 2ppb s VAL 56 Ca 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2ppb s VAL 56 Cb -0.01 -0.60 0.10 0.00 0.00 0.00 0.00 36.38 35.87 2ppb s VAL 56 CO -0.10 -0.51 0.13 -0.47 0.00 0.00 0.00 175.10 174.15 2ppb s TYR 57 N -1.94 0.35 0.15 5.22 5.04 -0.59 -1.22 117.35 124.36 2ppb s TYR 57 Ca -0.11 -0.89 -0.30 0.00 -2.44 0.00 0.00 57.07 53.33 2ppb s TYR 57 Cb -0.05 -0.91 -0.07 0.00 0.35 0.00 0.00 41.96 41.27 2ppb s TYR 57 CO -0.02 -0.83 0.96 0.42 -1.34 0.00 0.00 175.55 174.74 2ppb s ILE 58 N 2.09 4.34 0.10 3.14 -1.09 -1.26 -2.22 121.20 126.30 2ppb s ILE 58 Ca 0.09 2.06 -0.19 0.00 -2.23 0.00 0.00 60.65 60.38 2ppb s ILE 58 Cb -0.16 -4.31 -0.07 0.00 -1.58 0.00 0.00 42.46 36.34 2ppb s ILE 58 CO -0.37 0.37 1.60 -0.33 -1.23 0.00 0.00 174.94 174.98 2ppb h GLU 59 N 5.11 0.41 0.00 2.79 4.39 -1.72 -3.08 114.58 122.49 2ppb h GLU 59 Ca -0.44 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2ppb h GLU 59 Cb 1.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2ppb h GLU 59 CO 0.71 0.50 -0.47 -0.40 -1.16 0.00 0.00 179.01 178.19 2ppb n ASP 60 N -4.72 0.47 -4.78 1.42 5.68 -1.26 -4.88 116.55 108.48 2ppb n ASP 60 Ca -0.03 -0.14 -0.39 0.00 -0.50 0.00 0.00 54.79 53.73 2ppb n ASP 60 Cb 0.17 0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 2ppb n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ppb s VAL 61 N -3.02 4.61 -0.20 2.12 1.01 -1.16 -4.99 120.40 118.76 2ppb s VAL 61 Ca 0.11 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 2ppb s VAL 61 Cb 0.17 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2ppb s VAL 61 CO 0.69 0.48 -0.21 0.18 0.00 0.00 0.00 175.10 176.23 2ppb n LEU 62 N 2.04 2.37 -4.71 3.92 4.32 -1.26 -4.64 117.00 119.04 2ppb n LEU 62 Ca -0.06 0.04 -0.26 0.00 -0.02 0.00 0.00 56.01 55.71 2ppb n LEU 62 Cb 0.50 -0.66 -0.08 0.00 -1.62 0.00 0.00 43.42 41.56 2ppb n LEU 62 CO 0.45 0.67 -0.19 -1.00 -1.22 0.00 0.00 177.39 176.09 2ppb s HIS 63 N -2.39 2.54 0.09 -1.77 3.76 -1.26 -4.71 115.29 111.56 2ppb s HIS 63 Ca -0.28 -0.63 0.20 0.00 -0.15 0.00 0.00 55.06 54.21 2ppb s HIS 63 Cb 0.09 -1.90 0.67 0.00 1.11 0.00 0.00 32.58 32.55 2ppb s HIS 63 CO 0.42 0.25 1.72 1.49 -0.85 0.00 0.00 174.74 177.77 2ppb h GLU 64 N 1.51 0.00 -0.93 1.40 4.81 -1.96 -3.27 114.58 116.14 2ppb h GLU 64 Ca -0.43 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.44 2ppb h GLU 64 Cb 1.25 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.42 2ppb h GLU 64 CO 0.73 0.32 0.45 1.19 -0.73 0.00 0.00 179.01 180.98 2ppb n PHE 65 N -3.41 2.45 -3.06 0.92 0.99 -1.26 -3.35 117.46 110.73 2ppb n PHE 65 Ca 0.00 -1.45 -0.18 0.00 -0.00 0.00 0.00 57.45 55.82 2ppb n PHE 65 Cb 0.51 -0.77 0.01 0.00 -1.00 0.00 0.00 39.48 38.23 2ppb n PHE 65 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2ppb s SER 66 N -0.89 5.69 -0.05 4.37 0.01 -1.23 -4.97 113.70 116.63 2ppb s SER 66 Ca 0.48 -0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.49 2ppb s SER 66 Cb 0.40 -0.84 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 2ppb s SER 66 CO 0.10 -0.73 -0.18 0.28 0.41 0.00 0.00 173.24 173.12 2ppb s THR 67 N -2.37 1.52 -0.22 1.44 -1.32 -1.26 -1.58 115.64 111.85 2ppb s THR 67 Ca 0.53 -0.76 -0.13 0.00 -1.21 0.00 0.00 61.69 60.12 2ppb s THR 67 Cb -0.10 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2ppb s THR 67 CO 0.33 0.44 0.29 -0.63 -2.21 0.00 0.00 174.62 172.84 2ppb s ILE 68 N 0.09 5.27 0.71 5.08 1.01 -1.26 -5.00 121.20 127.10 2ppb s ILE 68 Ca -0.06 0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 2ppb s ILE 68 Cb -0.13 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2ppb s ILE 68 CO 0.03 0.29 1.14 -2.65 0.00 0.00 0.00 174.94 173.75 2ppb n PRO 69 N 4.44 0.65 -0.52 2.79 -0.02 -1.26 -1.86 135.00 139.22 2ppb n PRO 69 Ca -0.11 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2ppb n PRO 69 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.90 0.81 3.09 -1.23 0.00 -1.26 -4.50 105.19 102.99 2ppb n GLY 70 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 2.27 0.06 1.61 1.01 -0.78 0.43 120.40 122.66 2ppb s VAL 71 Ca 0.00 -1.56 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 2ppb s VAL 71 Cb 0.00 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 2ppb s VAL 71 CO 0.00 -0.00 1.30 0.50 0.00 0.00 0.00 175.10 176.90 2ppb h LYS 72 N 7.81 -0.33 -6.97 2.72 3.11 -1.78 -3.42 116.57 117.72 2ppb h LYS 72 Ca -0.21 0.02 -0.55 0.00 -2.81 0.00 0.00 60.65 57.10 2ppb h LYS 72 Cb 1.05 0.08 0.18 0.00 -1.00 0.00 0.00 32.23 32.53 2ppb h LYS 72 CO 0.48 -0.22 0.13 -0.85 -2.81 0.00 0.00 179.45 176.18 2ppb n GLU 73 N -4.12 0.52 -3.76 1.90 0.00 -1.26 -4.98 120.64 108.94 2ppb n GLU 73 Ca -0.04 0.24 -0.29 0.00 0.00 0.00 0.00 57.16 57.07 2ppb n GLU 73 Cb 0.21 -2.24 -0.04 0.00 0.00 0.00 0.00 31.44 29.37 2ppb n GLU 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2ppb s ASP 74 N -1.64 6.40 0.34 -1.84 2.15 -1.26 -4.49 116.67 116.32 2ppb s ASP 74 Ca 0.74 0.39 0.13 0.00 0.43 0.00 0.00 52.55 54.24 2ppb s ASP 74 Cb -0.34 -2.01 1.06 0.00 -0.30 0.00 0.00 42.92 41.33 2ppb s ASP 74 CO 0.50 0.03 1.63 0.58 -0.17 0.00 0.00 175.17 177.74 2ppb h VAL 75 N 1.78 0.20 -0.25 1.11 2.07 -1.54 0.10 116.25 119.72 2ppb h VAL 75 Ca -0.47 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2ppb h VAL 75 Cb 1.18 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2ppb h VAL 75 CO 0.71 0.04 0.11 0.58 0.02 0.00 0.00 177.57 179.02 2ppb h VAL 76 N 0.20 1.16 -0.65 2.57 2.07 -1.78 0.10 116.25 119.92 2ppb h VAL 76 Ca 0.72 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.70 2ppb h VAL 76 Cb 1.68 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 2ppb h VAL 76 CO -0.68 0.16 0.16 -0.08 0.02 0.00 0.00 177.57 177.15 2ppb h GLU 77 N 0.27 1.02 0.37 1.57 4.57 -1.23 -2.04 114.58 119.11 2ppb h GLU 77 Ca 0.09 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2ppb h GLU 77 Cb 0.16 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2ppb h GLU 77 CO -0.01 0.90 -0.18 0.82 -1.18 0.00 0.00 179.01 179.36 2ppb h ILE 78 N 0.97 0.58 -0.36 2.32 2.04 -0.98 -1.57 117.51 120.51 2ppb h ILE 78 Ca 0.21 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.63 2ppb h ILE 78 Cb 0.34 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2ppb h ILE 78 CO -0.00 0.09 0.31 0.16 0.00 0.00 0.00 178.15 178.72 2ppb h ILE 79 N -0.83 0.59 0.16 -0.67 3.07 -0.78 0.54 117.51 119.60 2ppb h ILE 79 Ca -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.35 2ppb h ILE 79 Cb 0.53 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 2ppb h ILE 79 CO 0.08 0.00 -0.08 0.25 -1.05 0.00 0.00 178.15 177.35 2ppb h LEU 80 N 0.00 -0.19 -2.59 0.16 5.85 -1.19 -2.90 115.31 114.46 2ppb h LEU 80 Ca 0.17 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2ppb h LEU 80 Cb 0.80 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2ppb h LEU 80 CO -0.00 0.16 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.11 2ppb h ASN 81 N -0.55 0.00 0.42 1.25 -0.00 0.08 -0.64 115.58 116.14 2ppb h ASN 81 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 56.10 2ppb h ASN 81 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 2ppb h ASN 81 CO 0.04 0.01 -0.75 -0.07 -0.00 0.00 0.00 177.43 176.66 2ppb h LEU 82 N 0.00 0.32 -2.09 0.34 3.38 -0.95 -2.61 115.31 113.69 2ppb h LEU 82 Ca -0.00 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2ppb h LEU 82 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2ppb h LEU 82 CO 0.00 0.96 0.14 0.11 0.09 0.00 0.00 178.44 179.74 2ppb h LYS 83 N 0.18 0.00 0.00 1.13 1.57 -0.94 0.15 116.57 118.65 2ppb h LYS 83 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 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 -0.06 1.49 -0.57 0.00 0.00 179.45 180.43 2ppb h GLU 84 N 0.00 0.00 -6.41 3.15 4.57 -1.45 -3.45 114.58 110.99 2ppb h GLU 84 Ca 0.08 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.73 2ppb h GLU 84 Cb 0.37 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2ppb h GLU 84 CO -0.00 0.06 1.01 -1.17 -1.18 0.00 0.00 179.01 177.73 2ppb s LEU 85 N -6.29 4.36 -0.31 1.64 2.96 0.53 -4.98 118.68 116.58 2ppb s LEU 85 Ca 0.03 2.42 -0.06 0.00 -0.22 0.00 0.00 54.13 56.30 2ppb s LEU 85 Cb 0.08 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.24 2ppb s LEU 85 CO 0.61 -0.88 0.07 0.54 -1.32 0.00 0.00 176.35 175.37 2ppb s VAL 86 N 2.93 3.66 0.21 1.68 0.11 -1.26 -4.68 120.40 123.04 2ppb s VAL 86 Ca 0.73 -1.01 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2ppb s VAL 86 Cb -0.38 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2ppb s VAL 86 CO 0.32 -0.05 0.14 0.68 -3.33 0.00 0.00 175.10 172.85 2ppb s VAL 87 N 1.41 4.33 -0.21 2.04 -7.23 -1.26 -3.05 120.40 116.42 2ppb s VAL 87 Ca -0.01 -1.30 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2ppb s VAL 87 Cb -0.18 -3.27 0.07 0.00 0.56 0.00 0.00 36.38 33.56 2ppb s VAL 87 CO 0.02 -0.23 0.09 -0.60 -0.31 0.00 0.00 175.10 174.07 2ppb s ARG 88 N -3.43 0.23 0.42 4.82 3.52 0.20 -4.73 118.95 119.98 2ppb s ARG 88 Ca 0.31 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.60 2ppb s ARG 88 Cb -0.09 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2ppb s ARG 88 CO 0.23 -0.76 0.67 -0.06 -0.81 0.00 0.00 175.30 174.57 2ppb s PHE 89 N 2.06 3.47 -0.06 5.12 0.08 -1.26 -2.00 117.98 125.39 2ppb s PHE 89 Ca 0.03 0.51 0.22 0.00 0.12 0.00 0.00 56.93 57.82 2ppb s PHE 89 Cb -0.16 -2.14 -0.30 0.00 -0.57 0.00 0.00 43.02 39.85 2ppb s PHE 89 CO -0.16 -0.13 0.55 -0.11 -0.10 0.00 0.00 175.22 175.27 2ppb n LEU 90 N -2.03 0.11 -3.63 -0.37 7.94 -1.02 -5.00 117.00 113.00 2ppb n LEU 90 Ca -0.02 0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.79 2ppb n LEU 90 Cb 0.56 -0.01 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 2ppb n LEU 90 CO 0.50 -0.02 0.22 0.54 -1.11 0.00 0.00 177.39 177.52 2ppb s ASN 91 N -4.63 -0.38 0.49 1.96 2.20 -1.26 -5.04 114.94 108.28 2ppb s ASN 91 Ca -0.07 0.18 0.39 0.00 -0.94 0.00 0.00 52.86 52.42 2ppb s ASN 91 Cb 0.13 0.45 1.57 0.00 -2.00 0.00 0.00 41.25 41.40 2ppb s ASN 91 CO 0.89 -0.64 1.61 -0.65 -2.94 0.00 0.00 177.10 175.38 2ppb h PRO 92 N 3.06 0.03 -0.53 3.55 0.11 -2.02 0.25 132.00 136.45 2ppb h PRO 92 Ca -0.30 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.96 2ppb h PRO 92 Cb 1.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2ppb h PRO 92 CO 0.41 0.02 0.51 0.77 -0.21 0.00 0.00 178.00 179.51 2ppb h SER 93 N 0.03 0.00 -3.53 -2.05 0.02 -2.03 -3.24 113.55 102.75 2ppb h SER 93 Ca 0.86 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 61.03 2ppb h SER 93 Cb 3.06 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 65.35 2ppb h SER 93 CO -0.23 0.00 0.32 -0.76 -1.14 0.00 0.00 176.83 175.02 2ppb s LEU 94 N -7.62 6.40 -0.15 5.07 1.02 0.07 -4.80 118.68 118.67 2ppb s LEU 94 Ca -0.04 -2.86 -0.20 0.00 0.02 0.00 0.00 54.13 51.05 2ppb s LEU 94 Cb 0.17 -2.24 -0.24 0.00 0.02 0.00 0.00 46.19 43.90 2ppb s LEU 94 CO 0.59 -0.56 0.46 1.56 0.02 0.00 0.00 176.35 178.41 2ppb h GLN 95 N 7.59 0.11 -3.53 1.70 7.50 -1.83 -3.46 115.11 123.19 2ppb h GLN 95 Ca 0.14 -0.18 -0.50 0.00 0.50 0.00 0.00 58.65 58.61 2ppb h GLN 95 Cb 0.99 0.07 -0.40 0.00 0.05 0.00 0.00 27.48 28.19 2ppb h GLN 95 CO 0.88 1.09 -0.76 -0.08 -1.50 0.00 0.00 178.83 178.45 2ppb s THR 96 N -2.39 0.45 -0.11 -0.54 -1.32 -1.26 -2.81 115.64 107.66 2ppb s THR 96 Ca -0.23 -0.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2ppb s THR 96 Cb 0.04 -0.92 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 2ppb s THR 96 CO 0.69 -0.14 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.10 2ppb s VAL 97 N 1.90 2.74 -0.35 5.08 1.01 -0.13 -4.94 120.40 125.70 2ppb s VAL 97 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2ppb s VAL 97 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2ppb s VAL 97 CO -0.08 0.54 0.26 -0.89 0.00 0.00 0.00 175.10 174.93 2ppb s THR 98 N 0.25 5.28 -0.00 3.92 2.01 -1.26 -0.61 115.64 125.23 2ppb s THR 98 Ca -0.11 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 2ppb s THR 98 Cb -0.16 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2ppb s THR 98 CO 0.06 -0.07 0.92 -0.76 -0.69 0.00 0.00 174.62 174.08 2ppb s LEU 99 N 1.73 4.37 -0.07 4.42 1.02 -0.00 -4.90 118.68 125.25 2ppb s LEU 99 Ca 0.06 1.58 0.02 0.00 0.02 0.00 0.00 54.13 55.81 2ppb s LEU 99 Cb -0.18 -3.47 -0.03 0.00 0.02 0.00 0.00 46.19 42.53 2ppb s LEU 99 CO 0.11 -0.21 -0.11 -0.76 0.02 0.00 0.00 176.35 175.40 2ppb s LEU 100 N 0.87 2.94 -0.19 1.79 1.43 -1.26 -1.24 118.68 123.02 2ppb s LEU 100 Ca 0.49 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.28 2ppb s LEU 100 Cb -0.21 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.44 2ppb s LEU 100 CO 0.26 0.34 0.51 -0.22 0.23 0.00 0.00 176.35 177.47 2ppb s LEU 101 N -0.66 0.04 -0.15 1.79 0.20 -1.00 -1.75 118.68 117.16 2ppb s LEU 101 Ca 0.10 1.03 -0.05 0.00 0.69 0.00 0.00 54.13 55.89 2ppb s LEU 101 Cb -0.11 1.76 0.07 0.00 -0.43 0.00 0.00 46.19 47.48 2ppb s LEU 101 CO 0.01 -0.18 0.30 -0.75 -0.29 0.00 0.00 176.35 175.44 2ppb s LYS 102 N 0.25 0.20 0.03 1.98 2.20 -1.26 -1.31 119.74 121.83 2ppb s LYS 102 Ca -0.00 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 56.45 2ppb s LYS 102 Cb -0.04 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2ppb s LYS 102 CO 0.01 -0.27 -0.09 0.00 -0.36 0.00 0.00 175.35 174.64 2ppb s ALA 103 N 2.36 0.74 0.13 3.13 0.00 -0.42 -5.00 121.76 122.70 2ppb s ALA 103 Ca -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.34 2ppb s ALA 103 Cb -0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2ppb s ALA 103 CO -0.10 0.10 -0.08 -1.21 0.00 0.00 0.00 175.76 174.47 2ppb s GLU 104 N -1.04 0.99 2.16 0.00 8.01 -1.26 -2.46 118.70 125.10 2ppb s GLU 104 Ca -0.03 -1.42 0.00 0.00 0.01 0.00 0.00 54.97 53.53 2ppb s GLU 104 Cb -0.07 -0.44 0.00 0.00 -4.31 0.00 0.00 34.13 29.31 2ppb s GLU 104 CO 0.01 0.02 0.00 0.41 0.01 0.00 0.00 175.26 175.70 2ppb n GLY 105 N -0.15 -1.05 1.99 -1.39 0.00 -0.78 -4.33 105.19 99.49 2ppb n GLY 105 Ca -0.11 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 2ppb n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppb n PRO 106 N -0.01 0.71 -4.41 1.61 -0.02 -0.78 -3.97 135.00 128.14 2ppb n PRO 106 Ca 0.00 -0.23 -0.27 0.00 -2.02 0.00 0.00 63.50 60.98 2ppb n PRO 106 Cb 0.00 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.86 2ppb n PRO 106 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2ppb s LYS 107 N 1.50 1.32 0.04 -0.52 2.20 -1.20 -4.95 119.74 118.13 2ppb s LYS 107 Ca 0.15 -1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 54.25 2ppb s LYS 107 Cb 0.07 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 2ppb s LYS 107 CO 0.00 0.40 0.93 -1.21 -0.36 0.00 0.00 175.35 175.11 2ppb s GLU 108 N -1.86 4.59 -0.42 4.03 2.02 -1.26 -2.37 118.70 123.44 2ppb s GLU 108 Ca 0.10 1.35 -0.17 0.00 0.02 0.00 0.00 54.97 56.28 2ppb s GLU 108 Cb -0.10 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.73 2ppb s GLU 108 CO 0.05 0.09 0.40 0.08 0.02 0.00 0.00 175.26 175.90 2ppb s VAL 109 N 0.51 5.13 0.40 2.63 1.01 0.10 -4.98 120.40 125.20 2ppb s VAL 109 Ca 0.48 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.12 2ppb s VAL 109 Cb -0.22 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 2ppb s VAL 109 CO 0.27 -0.39 0.46 -0.54 0.00 0.00 0.00 175.10 174.91 2ppb s LYS 110 N 2.02 2.76 0.28 2.72 1.02 -1.26 -0.40 119.74 126.88 2ppb s LYS 110 Ca 0.10 -1.31 0.24 0.00 0.02 0.00 0.00 55.97 55.02 2ppb s LYS 110 Cb -0.17 -2.61 1.01 0.00 -0.52 0.00 0.00 37.83 35.53 2ppb s LYS 110 CO 0.13 -0.16 1.73 0.00 -0.92 0.00 0.00 175.35 176.13 2ppb h ALA 111 N 0.87 1.00 -0.00 5.17 0.00 -0.02 -2.21 119.26 124.07 2ppb h ALA 111 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ppb h ALA 111 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ppb h ALA 111 CO 0.51 0.00 -0.04 2.89 0.00 0.00 0.00 179.25 182.62 2ppb n ARG 112 N -2.30 0.29 0.01 0.00 1.85 -1.07 -3.28 116.66 112.16 2ppb n ARG 112 Ca 0.02 -0.03 0.11 0.00 -1.00 0.00 0.00 57.85 56.95 2ppb n ARG 112 Cb 0.24 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.63 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 -1.33 0.06 -4.72 2.89 9.92 -0.83 -4.79 116.55 117.74 2ppb n ASP 113 Ca 0.11 0.51 -0.42 0.00 -0.53 0.00 0.00 54.79 54.47 2ppb n ASP 113 Cb 0.28 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.21 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 -3.02 3.32 0.07 1.24 0.40 -1.21 -4.72 117.98 114.07 2ppb s PHE 114 Ca 0.11 1.17 -0.31 0.00 -0.60 0.00 0.00 56.93 57.29 2ppb s PHE 114 Cb 0.15 -3.56 -0.10 0.00 0.51 0.00 0.00 43.02 40.01 2ppb s PHE 114 CO 0.42 -1.83 1.88 -0.11 0.70 0.00 0.00 175.22 176.28 2ppb n LEU 115 N 3.41 3.98 -4.66 -0.37 7.94 -0.71 -4.90 117.00 121.69 2ppb n LEU 115 Ca 0.09 0.96 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 2ppb n LEU 115 Cb 0.44 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.87 2ppb n LEU 115 CO 0.57 0.14 0.75 -2.65 -1.11 0.00 0.00 177.39 175.09 2ppb n PRO 116 N 6.28 1.73 -4.86 1.96 -0.02 -1.26 -4.66 135.00 134.17 2ppb n PRO 116 Ca 0.19 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 2ppb n PRO 116 Cb 0.37 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.16 3.03 0.02 -1.45 1.01 -1.26 -5.08 120.40 115.51 2ppb s VAL 117 Ca 0.59 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2ppb s VAL 117 Cb -0.57 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2ppb s VAL 117 CO 0.59 0.57 1.04 0.00 0.00 0.00 0.00 175.10 177.30 2ppb n ALA 118 N 2.73 -0.09 1.13 5.51 0.00 -1.26 -2.43 120.51 126.09 2ppb n ALA 118 Ca -0.17 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2ppb n ALA 118 Cb 0.52 0.39 0.36 0.00 0.00 0.00 0.00 19.45 20.72 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 -3.30 2.00 -4.62 0.00 9.92 -1.26 -4.92 116.55 114.38 2ppb n ASP 119 Ca 0.00 -1.73 -0.32 0.00 -0.53 0.00 0.00 54.79 52.21 2ppb n ASP 119 Cb 0.04 -0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.32 2ppb n ASP 119 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ppb s VAL 120 N -1.81 3.80 0.03 2.53 1.01 -1.02 -2.43 120.40 122.51 2ppb s VAL 120 Ca 0.34 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.64 2ppb s VAL 120 Cb 0.19 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2ppb s VAL 120 CO 0.29 0.38 -0.15 -1.83 0.00 0.00 0.00 175.10 173.79 2ppb s GLU 121 N -1.49 1.00 -0.36 2.72 -1.05 -0.85 -4.39 118.70 114.30 2ppb s GLU 121 Ca 0.18 -0.73 -0.06 0.00 -0.15 0.00 0.00 54.97 54.21 2ppb s GLU 121 Cb -0.11 -1.01 0.06 0.00 -0.44 0.00 0.00 34.13 32.62 2ppb s GLU 121 CO 0.09 0.26 0.13 0.42 0.95 0.00 0.00 175.26 177.10 2ppb s ILE 122 N -0.77 3.67 -2.31 1.83 1.01 -1.26 -0.63 121.20 122.75 2ppb s ILE 122 Ca 0.03 -1.35 0.29 0.00 0.00 0.00 0.00 60.65 59.61 2ppb s ILE 122 Cb -0.08 -3.18 0.61 0.00 0.01 0.00 0.00 42.46 39.83 2ppb s ILE 122 CO 0.01 -0.30 1.85 1.15 0.00 0.00 0.00 174.94 177.65 2ppb n MET 123 N 4.77 1.42 -2.81 2.79 0.00 -1.17 -4.14 117.12 117.98 2ppb n MET 123 Ca -0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 57.70 56.62 2ppb n MET 123 Cb 0.44 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 32.14 2ppb n MET 123 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2ppb n ASN 124 N -0.19 4.88 0.09 3.17 2.85 -1.24 -4.95 115.26 119.87 2ppb n ASN 124 Ca 0.20 -3.70 -0.04 0.00 -0.11 0.00 0.00 54.58 50.92 2ppb n ASN 124 Cb 0.29 -0.61 -0.02 0.00 1.24 0.00 0.00 39.78 40.68 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 3.03 -0.25 0.00 1.20 0.11 -1.88 -3.14 132.00 131.07 2ppb h PRO 125 Ca 0.21 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2ppb h PRO 125 Cb 0.54 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2ppb h PRO 125 CO 0.87 -0.17 0.01 -0.25 -0.21 0.00 0.00 178.00 178.26 2ppb n ASP 126 N -2.89 0.00 -4.60 -2.05 8.00 -1.26 -0.32 116.55 113.44 2ppb n ASP 126 Ca -0.03 0.31 -0.50 0.00 0.71 0.00 0.00 54.79 55.28 2ppb n ASP 126 Cb 0.11 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 2ppb n ASP 126 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ppb n LEU 127 N -1.31 1.79 -4.59 0.64 7.94 -1.19 -4.71 117.00 115.58 2ppb n LEU 127 Ca 0.00 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 2ppb n LEU 127 Cb 0.01 -1.23 -0.04 0.00 0.53 0.00 0.00 43.42 42.68 2ppb n LEU 127 CO 0.00 -1.06 0.66 -2.28 -1.11 0.00 0.00 177.39 173.60 2ppb s HIS 128 N 0.20 3.08 -0.20 1.96 2.46 -1.26 -1.98 115.29 119.55 2ppb s HIS 128 Ca 0.78 0.63 -0.21 0.00 0.47 0.00 0.00 55.06 56.73 2ppb s HIS 128 Cb -0.87 -3.55 -0.20 0.00 -0.13 0.00 0.00 32.58 27.84 2ppb s HIS 128 CO 0.49 -0.80 0.23 0.82 -2.47 0.00 0.00 174.74 173.00 2ppb h ILE 129 N 5.81 0.90 -2.27 0.89 1.08 -1.05 -3.48 117.51 119.39 2ppb h ILE 129 Ca -0.24 -2.19 0.16 0.00 -0.39 0.00 0.00 64.86 62.20 2ppb h ILE 129 Cb 1.09 2.24 -0.11 0.00 -3.07 0.00 0.00 36.82 36.97 2ppb h ILE 129 CO 0.95 0.35 0.51 0.00 -0.69 0.00 0.00 178.15 179.26 2ppb s ALA 130 N -2.37 -1.74 -0.31 1.87 0.00 -1.06 -4.76 121.76 113.38 2ppb s ALA 130 Ca -0.28 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 2ppb s ALA 130 Cb 0.06 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2ppb s ALA 130 CO 0.60 -0.91 0.03 0.95 0.00 0.00 0.00 175.76 176.43 2ppb s THR 131 N -3.18 3.20 -0.12 0.00 -4.23 -1.26 0.03 115.64 110.07 2ppb s THR 131 Ca 0.10 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.13 2ppb s THR 131 Cb -0.01 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 2ppb s THR 131 CO -0.02 -0.13 0.37 -0.76 -0.54 0.00 0.00 174.62 173.54 2ppb s LEU 132 N 1.29 4.29 0.00 4.79 1.02 -1.00 -2.87 118.68 126.21 2ppb s LEU 132 Ca -0.04 0.68 0.00 0.00 0.02 0.00 0.00 54.13 54.79 2ppb s LEU 132 Cb -0.20 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.51 2ppb s LEU 132 CO -0.00 0.11 0.00 1.21 0.02 0.00 0.00 176.35 177.69 2ppb n GLU 133 N 3.30 0.00 -3.86 1.70 4.07 0.17 -3.26 120.64 122.77 2ppb n GLU 133 Ca -0.11 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.87 2ppb n GLU 133 Cb 0.52 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.77 2ppb n GLU 133 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2ppb s GLU 134 N 0.05 0.17 -1.58 5.31 1.03 -1.26 -1.86 118.70 120.56 2ppb s GLU 134 Ca 0.00 -0.00 -0.02 0.00 0.03 0.00 0.00 54.97 54.98 2ppb s GLU 134 Cb 0.00 0.08 0.01 0.00 -0.80 0.00 0.00 34.13 33.41 2ppb s GLU 134 CO 0.00 -0.03 0.21 0.41 -1.33 0.00 0.00 175.26 174.52 2ppb n GLY 135 N 2.71 -0.51 3.45 -3.83 0.00 -1.26 -4.66 105.19 101.09 2ppb n GLY 135 Ca -0.15 0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.28 1.58 -0.35 -0.02 0.00 -1.26 -4.71 107.32 100.28 2ppb s GLY 136 Ca 0.11 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.95 2ppb s GLY 136 CO 0.14 1.79 0.16 -1.60 0.00 0.00 0.00 173.10 173.59 2ppb s ARG 137 N 3.33 2.84 -0.17 2.90 3.00 -1.26 -1.86 118.95 127.73 2ppb s ARG 137 Ca 0.19 -1.05 -0.01 0.00 -1.00 0.00 0.00 55.73 53.86 2ppb s ARG 137 Cb -0.18 -3.60 0.05 0.00 0.00 0.00 0.00 34.95 31.21 2ppb s ARG 137 CO 0.11 -0.63 -0.03 -0.48 0.00 0.00 0.00 175.30 174.27 2ppb s LEU 138 N 1.51 1.57 -0.23 -0.88 2.34 -1.03 -4.98 118.68 116.99 2ppb s LEU 138 Ca 0.01 -0.70 -0.01 0.00 0.06 0.00 0.00 54.13 53.49 2ppb s LEU 138 Cb -0.19 -0.86 0.06 0.00 -0.56 0.00 0.00 46.19 44.65 2ppb s LEU 138 CO 0.05 -0.21 -0.00 0.21 -1.06 0.00 0.00 176.35 175.34 2ppb s ASN 139 N 1.67 3.50 0.18 1.48 2.47 -1.26 -1.31 114.94 121.66 2ppb s ASN 139 Ca 0.00 -1.09 0.02 0.00 0.42 0.00 0.00 52.86 52.21 2ppb s ASN 139 Cb -0.16 -0.92 -0.05 0.00 -1.45 0.00 0.00 41.25 38.68 2ppb s ASN 139 CO -0.07 -0.28 0.01 0.00 -3.72 0.00 0.00 177.10 173.03 2ppb s MET 140 N 1.60 1.12 -0.22 0.43 0.23 -0.42 -1.65 119.30 120.39 2ppb s MET 140 Ca -0.02 -1.54 -0.01 0.00 -1.03 0.00 0.00 55.69 53.09 2ppb s MET 140 Cb -0.18 -0.26 0.06 0.00 -1.53 0.00 0.00 34.83 32.92 2ppb s MET 140 CO -0.09 -0.14 -0.02 -1.83 -2.03 0.00 0.00 175.02 170.92 2ppb s GLU 141 N -3.92 1.21 -0.27 3.16 -1.05 -0.94 -2.37 118.70 114.52 2ppb s GLU 141 Ca 0.25 -0.75 -0.06 0.00 -0.15 0.00 0.00 54.97 54.26 2ppb s GLU 141 Cb 0.06 -2.38 -0.01 0.00 -0.44 0.00 0.00 34.13 31.36 2ppb s GLU 141 CO 0.04 -0.61 0.06 0.14 0.95 0.00 0.00 175.26 175.83 2ppb s VAL 142 N 1.59 3.99 0.61 1.83 -7.23 -0.38 -1.54 120.40 119.27 2ppb s VAL 142 Ca -0.04 -0.47 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 2ppb s VAL 142 Cb -0.18 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2ppb s VAL 142 CO -0.07 0.23 1.11 -0.60 -0.31 0.00 0.00 175.10 175.46 2ppb s ARG 143 N 1.54 3.07 -0.08 4.82 3.52 0.39 -0.82 118.95 131.39 2ppb s ARG 143 Ca 0.05 1.44 -0.04 0.00 -0.13 0.00 0.00 55.73 57.05 2ppb s ARG 143 Cb -0.16 -1.98 0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2ppb s ARG 143 CO 0.02 -1.04 0.19 0.08 -0.81 0.00 0.00 175.30 173.74 2ppb s VAL 144 N -2.15 -0.09 0.26 7.11 1.01 0.22 -2.70 120.40 124.06 2ppb s VAL 144 Ca 0.68 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2ppb s VAL 144 Cb -0.21 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 2ppb s VAL 144 CO 0.35 0.08 0.02 -1.81 0.00 0.00 0.00 175.10 173.74 2ppb s ASP 145 N 1.38 1.98 -0.22 3.32 1.11 -1.18 -0.96 116.67 122.11 2ppb s ASP 145 Ca -0.07 -1.27 -0.06 0.00 0.18 0.00 0.00 52.55 51.32 2ppb s ASP 145 Cb -0.11 -0.01 -0.03 0.00 1.07 0.00 0.00 42.92 43.84 2ppb s ASP 145 CO -0.07 -0.54 0.03 0.00 1.18 0.00 0.00 175.17 175.77 2ppb s ARG 146 N -3.87 3.67 0.00 8.23 1.70 -1.12 -2.92 118.95 124.62 2ppb s ARG 146 Ca 0.31 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 2ppb s ARG 146 Cb 0.06 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2ppb s ARG 146 CO 0.11 -0.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.71 2ppb n GLY 147 N 4.40 3.55 2.99 3.88 0.00 -1.14 -4.95 105.19 113.92 2ppb n GLY 147 Ca -0.17 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2ppb n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppb s VAL 148 N -2.48 0.04 0.00 1.61 -7.23 -1.26 -0.68 120.40 110.40 2ppb s VAL 148 Ca 0.00 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2ppb s VAL 148 Cb 0.00 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.73 2ppb s VAL 148 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 2ppb n GLY 149 N 2.42 0.07 3.38 2.32 0.00 -0.95 -4.77 105.19 107.67 2ppb n GLY 149 Ca -0.17 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 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 2.84 -0.24 1.61 5.04 -1.26 -1.83 117.35 123.51 2ppb s TYR 150 Ca 0.00 -0.61 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 2ppb s TYR 150 Cb 0.00 -1.86 0.07 0.00 0.35 0.00 0.00 41.96 40.51 2ppb s TYR 150 CO 0.00 -0.20 -0.03 0.08 -1.34 0.00 0.00 175.55 174.06 2ppb s VAL 151 N 0.38 1.43 0.43 3.14 1.01 -1.01 -5.00 120.40 120.78 2ppb s VAL 151 Ca -0.10 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.40 2ppb s VAL 151 Cb -0.16 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 2ppb s VAL 151 CO 0.05 -0.18 1.02 -2.65 0.00 0.00 0.00 175.10 173.34 2ppb n PRO 152 N 4.69 1.35 0.25 2.72 -0.02 -1.26 -1.13 135.00 141.60 2ppb n PRO 152 Ca -0.10 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2ppb n PRO 152 Cb 0.44 -2.06 0.81 0.00 -0.02 0.00 0.00 33.50 32.67 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 1.51 1.07 0.06 3.55 0.00 -1.91 0.73 119.26 124.26 2ppb h ALA 153 Ca -0.45 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 2ppb h ALA 153 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2ppb h ALA 153 CO 0.57 -0.07 -1.31 0.93 0.00 0.00 0.00 179.25 179.37 2ppb h GLU 154 N 0.00 0.13 -0.13 0.00 5.08 -1.92 -2.91 114.58 114.82 2ppb h GLU 154 Ca 0.00 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2ppb h GLU 154 Cb 0.16 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2ppb h GLU 154 CO 0.00 1.00 -0.15 0.87 -1.00 0.00 0.00 179.01 179.73 2ppb h LYS 155 N 0.04 0.34 0.00 2.33 1.57 -1.18 -3.38 116.57 116.29 2ppb h LYS 155 Ca -0.15 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2ppb h LYS 155 Cb 1.92 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.23 2ppb h LYS 155 CO 0.15 0.74 -0.58 1.12 -0.57 0.00 0.00 179.45 180.31 2ppb h HIS 156 N -0.05 0.00 -5.38 -1.35 2.07 -1.71 -3.50 115.15 105.23 2ppb h HIS 156 Ca 0.02 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.52 2ppb h HIS 156 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 2ppb h HIS 156 CO 0.09 0.89 -0.26 0.41 -3.07 0.00 0.00 177.93 175.99 2ppb n GLY 157 N 1.56 -1.25 3.81 6.13 0.00 -1.10 -4.97 105.19 109.37 2ppb n GLY 157 Ca -0.17 0.83 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.81 4.43 -0.41 -0.61 -1.09 -1.26 -5.04 121.20 114.41 2ppb s ILE 158 Ca 0.11 1.45 0.07 0.00 -2.23 0.00 0.00 60.65 60.05 2ppb s ILE 158 Cb -0.03 -3.79 0.23 0.00 -1.58 0.00 0.00 42.46 37.29 2ppb s ILE 158 CO 0.76 -0.03 0.55 2.29 -1.23 0.00 0.00 174.94 177.28 2ppb n LYS 159 N 0.09 0.62 -0.04 2.79 0.00 -1.26 -4.50 118.16 115.85 2ppb n LYS 159 Ca 0.03 -2.95 -0.14 0.00 -0.00 0.00 0.00 58.31 55.25 2ppb n LYS 159 Cb 0.52 -1.34 -0.08 0.00 -0.00 0.00 0.00 35.03 34.13 2ppb n LYS 159 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2ppb h ASP 160 N 4.32 0.31 -4.23 -5.58 3.32 -1.96 -3.44 116.42 109.17 2ppb h ASP 160 Ca 0.07 -0.54 -0.69 0.00 0.02 0.00 0.00 57.03 55.89 2ppb h ASP 160 Cb 0.92 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.12 2ppb h ASP 160 CO 0.41 0.79 -0.84 -0.60 -1.72 0.00 0.00 179.24 177.28 2ppb s ARG 161 N -4.06 2.10 0.35 3.56 6.06 -1.26 -5.05 118.95 120.65 2ppb s ARG 161 Ca -0.15 -0.94 0.06 0.00 -2.50 0.00 0.00 55.73 52.20 2ppb s ARG 161 Cb 0.04 -2.13 0.73 0.00 0.06 0.00 0.00 34.95 33.64 2ppb s ARG 161 CO 0.74 0.56 1.92 -0.84 -2.50 0.00 0.00 175.30 175.18 2ppb h ILE 162 N 4.24 0.97 -0.01 4.11 -0.00 -1.98 -1.95 117.51 122.88 2ppb h ILE 162 Ca -0.46 -0.27 0.00 0.00 -0.00 0.00 0.00 64.86 64.13 2ppb h ILE 162 Cb 1.14 0.11 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 2ppb h ILE 162 CO 0.47 0.14 -0.23 -3.20 -0.00 0.00 0.00 178.15 175.34 2ppb n ASN 163 N -4.51 0.85 -4.69 2.16 4.05 -1.26 -4.94 115.26 106.91 2ppb n ASN 163 Ca 0.13 -0.76 -0.31 0.00 0.45 0.00 0.00 54.58 54.09 2ppb n ASN 163 Cb 0.30 0.08 0.15 0.00 1.23 0.00 0.00 39.78 41.54 2ppb n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ppb s ALA 164 N -2.52 1.66 -0.12 5.20 0.00 -0.74 -4.62 121.76 120.62 2ppb s ALA 164 Ca 0.25 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.79 2ppb s ALA 164 Cb 0.19 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.91 2ppb s ALA 164 CO 0.52 -2.52 -0.15 0.96 0.00 0.00 0.00 175.76 174.56 2ppb s ILE 165 N -2.64 1.56 0.73 0.00 -4.36 -0.35 -4.97 121.20 111.17 2ppb s ILE 165 Ca 0.66 -0.66 -0.14 0.00 -0.26 0.00 0.00 60.65 60.26 2ppb s ILE 165 Cb -0.22 -1.43 0.04 0.00 1.25 0.00 0.00 42.46 42.09 2ppb s ILE 165 CO 0.57 0.45 1.15 -2.84 0.24 0.00 0.00 174.94 174.51 2ppb s PRO 166 N 1.15 2.23 0.07 0.37 0.02 -1.26 -2.00 135.00 135.59 2ppb s PRO 166 Ca -0.03 1.54 0.07 0.00 0.02 0.00 0.00 61.00 62.60 2ppb s PRO 166 Cb -0.14 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2ppb s PRO 166 CO -0.05 -1.72 -0.19 0.08 -0.33 0.00 0.00 177.00 174.80 2ppb s VAL 167 N -2.30 1.50 0.08 3.83 1.01 -0.87 -4.88 120.40 118.77 2ppb s VAL 167 Ca 0.69 -1.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 2ppb s VAL 167 Cb -0.24 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2ppb s VAL 167 CO 0.47 -0.03 1.82 -1.81 0.00 0.00 0.00 175.10 175.55 2ppb s ASP 168 N -1.60 6.48 -0.11 3.32 1.01 -1.26 -4.31 116.67 120.19 2ppb s ASP 168 Ca 0.04 2.66 -0.30 0.00 0.71 0.00 0.00 52.55 55.67 2ppb s ASP 168 Cb -0.09 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2ppb s ASP 168 CO 0.03 -0.99 1.15 0.00 0.21 0.00 0.00 175.17 175.57 2ppb s ALA 169 N 3.19 3.54 -0.80 5.23 0.00 -0.28 -4.78 121.76 127.85 2ppb s ALA 169 Ca 0.81 0.48 0.02 0.00 0.00 0.00 0.00 51.96 53.26 2ppb s ALA 169 Cb -0.43 -3.53 0.23 0.00 0.00 0.00 0.00 23.12 19.39 2ppb s ALA 169 CO 0.36 -0.85 0.80 1.33 0.00 0.00 0.00 175.76 177.39 2ppb n VAL 170 N 4.85 2.80 0.11 0.00 0.24 -1.26 -2.39 118.33 122.69 2ppb n VAL 170 Ca 0.11 -5.19 -0.22 0.00 -2.04 0.00 0.00 64.34 56.99 2ppb n VAL 170 Cb 0.46 -2.22 -0.15 0.00 -1.47 0.00 0.00 33.84 30.46 2ppb n VAL 170 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2ppb h PHE 171 N 5.25 0.79 -2.25 6.34 0.04 -1.68 -3.38 116.94 122.05 2ppb h PHE 171 Ca 0.18 -0.58 -0.55 0.00 2.80 0.00 0.00 57.97 59.81 2ppb h PHE 171 Cb 0.73 -0.03 0.02 0.00 2.20 0.00 0.00 35.95 38.86 2ppb h PHE 171 CO 0.75 1.55 1.24 0.45 -0.60 0.00 0.00 178.31 181.69 2ppb n SER 172 N -3.63 3.94 0.22 2.17 2.88 -1.13 -3.51 113.62 114.57 2ppb n SER 172 Ca -0.18 0.85 0.15 0.00 -1.33 0.00 0.00 58.87 58.36 2ppb n SER 172 Cb 1.08 -1.50 0.66 0.00 -0.75 0.00 0.00 64.21 63.70 2ppb n SER 172 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2ppb h PRO 173 N 10.74 0.00 -5.17 -1.46 0.11 -1.81 -3.41 132.00 131.01 2ppb h PRO 173 Ca -0.49 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 2ppb h PRO 173 Cb 1.25 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.20 2ppb h PRO 173 CO 0.94 0.00 -0.10 0.08 -0.21 0.00 0.00 178.00 178.71 2ppb s VAL 174 N -3.57 5.05 -0.04 3.15 1.01 -1.26 0.63 120.40 125.37 2ppb s VAL 174 Ca 0.02 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 2ppb s VAL 174 Cb 0.09 -3.93 -0.21 0.00 0.00 0.00 0.00 36.38 32.33 2ppb s VAL 174 CO 0.45 -0.19 1.12 0.03 0.00 0.00 0.00 175.10 176.52 2ppb h ARG 175 N 8.46 0.13 -3.42 2.72 2.47 -1.56 -3.47 114.38 119.71 2ppb h ARG 175 Ca -0.28 -0.11 -0.14 0.00 -1.26 0.00 0.00 59.98 58.19 2ppb h ARG 175 Cb 1.13 0.02 -0.20 0.00 -1.65 0.00 0.00 29.97 29.27 2ppb h ARG 175 CO 0.75 0.78 -0.44 -0.98 0.56 0.00 0.00 179.97 180.64 2ppb s ARG 176 N -3.53 0.53 0.27 0.04 1.70 -1.25 -5.04 118.95 111.67 2ppb s ARG 176 Ca -0.16 -0.38 0.11 0.00 -0.47 0.00 0.00 55.73 54.83 2ppb s ARG 176 Cb 0.01 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 2ppb s ARG 176 CO 0.72 -0.13 -0.18 0.14 -1.08 0.00 0.00 175.30 174.76 2ppb s VAL 177 N -1.45 2.30 -0.28 4.99 -7.23 -1.26 -1.31 120.40 116.15 2ppb s VAL 177 Ca -0.14 -2.36 -0.20 0.00 -1.81 0.00 0.00 61.98 57.48 2ppb s VAL 177 Cb -0.07 -2.26 0.12 0.00 0.56 0.00 0.00 36.38 34.73 2ppb s VAL 177 CO 0.02 -0.44 0.92 0.00 -0.31 0.00 0.00 175.10 175.29 2ppb s ALA 178 N -2.62 -2.06 -0.00 1.32 0.00 -0.43 -4.97 121.76 112.99 2ppb s ALA 178 Ca 0.28 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.38 2ppb s ALA 178 Cb -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2ppb s ALA 178 CO 0.13 -0.32 -0.01 -0.59 0.00 0.00 0.00 175.76 174.98 2ppb s PHE 179 N 0.96 0.12 0.00 0.00 -0.12 -1.26 0.17 117.98 117.86 2ppb s PHE 179 Ca -0.05 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.91 2ppb s PHE 179 Cb -0.04 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 2ppb s PHE 179 CO -0.12 -0.02 -0.25 -0.65 -0.05 0.00 0.00 175.22 174.13 2ppb s GLN 180 N 0.10 1.95 -0.48 1.99 -0.21 -0.20 -4.97 119.66 117.85 2ppb s GLN 180 Ca -0.01 -0.97 0.02 0.00 0.02 0.00 0.00 55.36 54.43 2ppb s GLN 180 Cb -0.02 -1.96 0.12 0.00 1.00 0.00 0.00 33.01 32.15 2ppb s GLN 180 CO -0.00 0.53 0.22 0.08 -2.12 0.00 0.00 175.29 174.00 2ppb s VAL 181 N -0.67 2.73 -0.00 1.09 1.01 -1.25 -1.94 120.40 121.36 2ppb s VAL 181 Ca 0.10 -2.89 -0.00 0.00 0.00 0.00 0.00 61.98 59.19 2ppb s VAL 181 Cb -0.10 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2ppb s VAL 181 CO 0.00 -0.75 0.08 -1.83 0.00 0.00 0.00 175.10 172.61 2ppb s GLU 182 N 0.19 3.08 0.52 2.72 -1.05 -1.04 -4.82 118.70 118.31 2ppb s GLU 182 Ca 0.15 -0.48 -0.22 0.00 -0.15 0.00 0.00 54.97 54.26 2ppb s GLU 182 Cb -0.23 -2.87 -0.06 0.00 -0.44 0.00 0.00 34.13 30.53 2ppb s GLU 182 CO -0.03 0.65 1.24 -0.25 0.95 0.00 0.00 175.26 177.82 2ppb n ASP 183 N 1.17 2.22 -4.12 0.83 10.43 -1.26 -2.50 116.55 123.32 2ppb n ASP 183 Ca -0.13 0.98 -0.16 0.00 2.57 0.00 0.00 54.79 58.05 2ppb n ASP 183 Cb 0.53 -1.51 -0.12 0.00 1.84 0.00 0.00 41.12 41.86 2ppb n ASP 183 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2ppb s THR 184 N -1.31 0.87 -0.21 -3.53 -1.32 -1.21 -4.88 115.64 104.05 2ppb s THR 184 Ca 0.69 -1.22 -0.05 0.00 -1.21 0.00 0.00 61.69 59.91 2ppb s THR 184 Cb -0.45 -0.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 2ppb s THR 184 CO 0.51 -0.30 -0.01 -0.60 -2.21 0.00 0.00 174.62 172.01 2ppb s ARG 185 N -1.69 3.52 -0.29 7.08 3.52 -1.26 -4.16 118.95 125.67 2ppb s ARG 185 Ca -0.05 -0.56 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 2ppb s ARG 185 Cb -0.10 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 2ppb s ARG 185 CO 0.01 -0.09 0.04 -0.51 -0.81 0.00 0.00 175.30 173.94 2ppb s LEU 186 N 1.25 3.70 0.00 -0.88 1.43 -1.26 -5.03 118.68 117.89 2ppb s LEU 186 Ca 0.03 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2ppb s LEU 186 Cb -0.15 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2ppb s LEU 186 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2ppb n GLY 187 N 4.80 0.00 0.17 -3.19 0.00 -1.26 -2.43 105.19 103.28 2ppb n GLY 187 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 2ppb n GLY 187 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ppb h GLN 188 N 0.00 -0.34 -5.22 1.61 5.75 -2.03 -3.45 115.11 111.42 2ppb h GLN 188 Ca 0.00 0.02 -0.65 0.00 -0.15 0.00 0.00 58.65 57.87 2ppb h GLN 188 Cb 0.00 0.08 -0.26 0.00 1.07 0.00 0.00 27.48 28.36 2ppb h GLN 188 CO 0.00 -0.23 -0.74 -0.98 -2.65 0.00 0.00 178.83 174.23 2ppb s ARG 189 N -2.72 3.42 0.34 1.69 1.70 -1.02 -5.01 118.95 117.34 2ppb s ARG 189 Ca -0.05 -0.65 0.17 0.00 -0.47 0.00 0.00 55.73 54.73 2ppb s ARG 189 Cb 0.01 -2.77 0.46 0.00 -0.57 0.00 0.00 34.95 32.07 2ppb s ARG 189 CO 0.16 0.10 1.63 1.15 -1.08 0.00 0.00 175.30 177.25 2ppb h THR 190 N 5.46 0.88 -0.66 4.99 2.02 -1.88 -3.36 112.91 120.36 2ppb h THR 190 Ca -0.31 -1.80 -0.27 0.00 0.77 0.00 0.00 66.41 64.80 2ppb h THR 190 Cb 1.19 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 69.68 2ppb h THR 190 CO 0.58 0.42 0.68 1.51 0.37 0.00 0.00 175.52 179.09 2ppb s ASP 191 N -6.44 5.01 0.03 4.18 -4.77 -1.26 -4.57 116.67 108.86 2ppb s ASP 191 Ca 0.01 -0.67 -0.01 0.00 -3.30 0.00 0.00 52.55 48.59 2ppb s ASP 191 Cb 0.10 -2.56 -0.03 0.00 -1.09 0.00 0.00 42.92 39.34 2ppb s ASP 191 CO 0.71 -2.88 -0.03 -0.76 0.70 0.00 0.00 175.17 172.91 2ppb s LEU 192 N 10.63 2.34 -0.08 2.11 1.43 -1.26 -4.74 118.68 129.10 2ppb s LEU 192 Ca 0.72 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2ppb s LEU 192 Cb -0.07 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 2ppb s LEU 192 CO 0.01 -0.44 -0.02 -1.81 0.23 0.00 0.00 176.35 174.32 2ppb s ASP 193 N -2.14 5.06 -0.18 2.29 1.11 -1.11 -3.32 116.67 118.38 2ppb s ASP 193 Ca -0.05 0.09 -0.00 0.00 0.18 0.00 0.00 52.55 52.76 2ppb s ASP 193 Cb -0.02 -1.38 0.04 0.00 1.07 0.00 0.00 42.92 42.64 2ppb s ASP 193 CO -0.05 0.37 -0.05 -0.75 1.18 0.00 0.00 175.17 175.87 2ppb s LYS 194 N -0.89 1.47 -0.20 8.23 2.20 -1.04 -1.88 119.74 127.63 2ppb s LYS 194 Ca 0.13 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 2ppb s LYS 194 Cb -0.11 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 34.05 2ppb s LYS 194 CO 0.02 -0.46 0.03 -1.17 -0.36 0.00 0.00 175.35 173.41 2ppb s LEU 195 N 1.59 3.42 -0.19 5.43 2.96 -0.99 -2.49 118.68 128.42 2ppb s LEU 195 Ca -0.00 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2ppb s LEU 195 Cb -0.16 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.71 2ppb s LEU 195 CO -0.08 0.08 -0.05 0.28 -1.32 0.00 0.00 176.35 175.26 2ppb s THR 196 N 0.93 1.22 -0.17 3.68 -1.32 -0.82 -0.60 115.64 118.56 2ppb s THR 196 Ca 0.02 -0.82 -0.01 0.00 -1.21 0.00 0.00 61.69 59.67 2ppb s THR 196 Cb -0.14 -1.44 -0.01 0.00 -1.51 0.00 0.00 72.50 69.40 2ppb s THR 196 CO 0.02 0.04 -0.11 -0.22 -2.21 0.00 0.00 174.62 172.14 2ppb s LEU 197 N 1.57 2.71 -0.16 9.08 0.20 -0.21 -1.03 118.68 130.83 2ppb s LEU 197 Ca -0.01 -0.39 -0.16 0.00 0.69 0.00 0.00 54.13 54.26 2ppb s LEU 197 Cb -0.16 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 2ppb s LEU 197 CO -0.07 0.08 0.39 -0.13 -0.29 0.00 0.00 176.35 176.33 2ppb s ARG 198 N 0.88 4.25 -0.04 1.98 0.52 0.45 -1.74 118.95 125.26 2ppb s ARG 198 Ca -0.03 0.25 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 2ppb s ARG 198 Cb -0.15 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 31.84 2ppb s ARG 198 CO 0.00 0.10 -0.23 0.42 0.02 0.00 0.00 175.30 175.61 2ppb s ILE 199 N 0.85 1.87 -0.08 1.52 1.01 -0.98 -1.32 121.20 124.07 2ppb s ILE 199 Ca 0.20 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2ppb s ILE 199 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2ppb s ILE 199 CO 0.07 0.53 -0.17 0.26 0.00 0.00 0.00 174.94 175.63 2ppb s TRP 200 N -0.32 2.65 0.04 3.97 0.51 -0.43 -2.14 118.94 123.22 2ppb s TRP 200 Ca 0.03 -0.51 0.05 0.00 -2.12 0.00 0.00 56.10 53.55 2ppb s TRP 200 Cb -0.11 -1.69 -0.02 0.00 -0.81 0.00 0.00 33.47 30.83 2ppb s TRP 200 CO 0.01 -0.08 -0.15 0.99 -0.51 0.00 0.00 176.95 177.21 2ppb s THR 201 N -0.18 1.18 -0.21 2.01 2.01 0.16 -1.69 115.64 118.91 2ppb s THR 201 Ca -0.01 -1.05 0.26 0.00 0.31 0.00 0.00 61.69 61.20 2ppb s THR 201 Cb -0.13 -1.07 0.27 0.00 0.01 0.00 0.00 72.50 71.58 2ppb s THR 201 CO 0.03 0.01 1.78 -2.24 -0.69 0.00 0.00 174.62 173.51 2ppb h ASP 202 N 4.87 0.00 0.00 3.53 3.04 -0.10 -3.37 116.42 124.38 2ppb h ASP 202 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 2ppb h ASP 202 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 2ppb h ASP 202 CO 0.44 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 2ppb n GLY 203 N -0.59 1.01 0.36 7.15 0.00 -1.26 -4.97 105.19 106.88 2ppb n GLY 203 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2ppb n GLY 203 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ppb h SER 204 N 2.00 -1.25 -1.03 1.61 0.02 -1.89 -3.43 113.55 109.58 2ppb h SER 204 Ca 0.00 0.23 -0.63 0.00 -0.84 0.00 0.00 61.79 60.54 2ppb h SER 204 Cb 0.00 0.60 -0.11 0.00 0.14 0.00 0.00 62.40 63.02 2ppb h SER 204 CO 0.00 -0.32 -0.52 0.68 -1.14 0.00 0.00 176.83 175.53 2ppb s VAL 205 N -5.95 1.70 0.16 2.27 -7.23 -1.26 -5.11 120.40 104.97 2ppb s VAL 205 Ca -0.14 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 2ppb s VAL 205 Cb 0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2ppb s VAL 205 CO 0.68 0.00 0.14 -0.89 -0.31 0.00 0.00 175.10 174.72 2ppb s THR 206 N -2.76 4.56 0.23 5.32 2.01 -1.26 -4.74 115.64 118.99 2ppb s THR 206 Ca 0.25 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 2ppb s THR 206 Cb 0.04 -3.32 0.19 0.00 0.01 0.00 0.00 72.50 69.42 2ppb s THR 206 CO 0.13 -0.09 1.73 -0.65 -0.69 0.00 0.00 174.62 175.06 2ppb h PRO 207 N 2.47 0.39 -0.23 4.92 0.11 -1.84 0.14 132.00 137.95 2ppb h PRO 207 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ppb h PRO 207 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2ppb h PRO 207 CO 0.64 0.26 0.13 1.25 -0.21 0.00 0.00 178.00 180.06 2ppb h LEU 208 N 0.40 0.29 -0.37 2.35 5.85 -1.94 -1.07 115.31 120.82 2ppb h LEU 208 Ca 0.36 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2ppb h LEU 208 Cb 0.52 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2ppb h LEU 208 CO -0.38 0.29 0.04 -0.33 -0.34 0.00 0.00 178.44 177.73 2ppb h GLU 209 N 0.27 0.15 -0.11 1.25 3.07 -1.72 -2.16 114.58 115.33 2ppb h GLU 209 Ca 0.08 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.97 2ppb h GLU 209 Cb 0.06 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2ppb h GLU 209 CO -0.01 0.10 -0.10 0.00 -1.40 0.00 0.00 179.01 177.59 2ppb h ALA 210 N 1.29 -0.02 -0.38 3.43 0.00 -0.43 -1.90 119.26 121.25 2ppb h ALA 210 Ca 0.18 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2ppb h ALA 210 Cb 0.22 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2ppb h ALA 210 CO -0.26 -0.56 -0.07 1.25 0.00 0.00 0.00 179.25 179.61 2ppb h LEU 211 N -0.13 -0.30 -0.63 0.00 5.85 -0.90 0.09 115.31 119.29 2ppb h LEU 211 Ca 0.08 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2ppb h LEU 211 Cb 0.24 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2ppb h LEU 211 CO -0.19 -0.10 0.41 0.78 -0.34 0.00 0.00 178.44 179.00 2ppb h ASN 212 N 0.03 0.72 -0.58 1.25 -0.26 -1.18 -0.80 115.58 114.75 2ppb h ASN 212 Ca 0.18 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2ppb h ASN 212 Cb 0.28 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 2ppb h ASN 212 CO -0.37 0.52 0.37 -0.61 -1.06 0.00 0.00 177.43 176.29 2ppb h GLN 213 N 0.85 0.77 0.62 0.81 5.75 -0.72 -2.35 115.11 120.84 2ppb h GLN 213 Ca 0.23 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2ppb h GLN 213 Cb -0.10 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 2ppb h GLN 213 CO -0.05 0.53 -0.45 0.00 -2.65 0.00 0.00 178.83 176.21 2ppb h ALA 214 N 1.20 -1.09 -0.52 3.38 0.00 -0.38 -0.52 119.26 121.34 2ppb h ALA 214 Ca 0.21 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2ppb h ALA 214 Cb -0.07 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2ppb h ALA 214 CO -0.04 -1.14 0.36 -0.39 0.00 0.00 0.00 179.25 178.03 2ppb h VAL 215 N -1.03 0.84 -0.15 0.00 -1.51 -1.15 -1.15 116.25 112.10 2ppb h VAL 215 Ca -0.08 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 65.27 2ppb h VAL 215 Cb 0.86 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 2ppb h VAL 215 CO 0.03 0.04 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.23 2ppb h GLU 216 N 0.21 0.33 -0.19 5.19 4.57 -1.01 -0.47 114.58 123.21 2ppb h GLU 216 Ca 0.24 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 2ppb h GLU 216 Cb 0.68 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2ppb h GLU 216 CO -0.04 0.69 0.13 0.82 -1.18 0.00 0.00 179.01 179.42 2ppb h ILE 217 N -0.02 0.99 -0.01 2.32 2.04 0.06 0.10 117.51 122.98 2ppb h ILE 217 Ca 0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2ppb h ILE 217 Cb 0.61 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2ppb h ILE 217 CO 0.03 0.03 -0.03 0.25 0.00 0.00 0.00 178.15 178.43 2ppb h LEU 218 N 0.15 0.03 -0.42 1.44 5.85 -1.09 -2.86 115.31 118.42 2ppb h LEU 218 Ca 0.08 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2ppb h LEU 218 Cb 0.14 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ppb h LEU 218 CO -0.01 0.69 0.27 -0.09 -0.34 0.00 0.00 178.44 178.95 2ppb h ARG 219 N -0.62 0.55 -0.88 1.25 2.43 -0.66 -1.19 114.38 115.27 2ppb h ARG 219 Ca -0.00 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2ppb h ARG 219 Cb 0.69 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 2ppb h ARG 219 CO 0.01 0.38 0.57 1.49 -1.51 0.00 0.00 179.97 180.91 2ppb h GLU 220 N 0.56 0.76 0.00 0.20 4.81 -0.90 0.60 114.58 120.61 2ppb h GLU 220 Ca 0.15 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2ppb h GLU 220 Cb -0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2ppb h GLU 220 CO -0.03 0.50 -0.46 0.45 -0.73 0.00 0.00 179.01 178.74 2ppb h HIS 221 N 0.78 0.00 0.00 0.92 3.86 -1.14 -2.92 115.15 116.65 2ppb h HIS 221 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2ppb h HIS 221 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2ppb h HIS 221 CO -0.00 0.46 0.00 1.28 0.86 0.00 0.00 177.93 180.53 2ppb n LEU 222 N -3.49 0.47 0.10 2.43 4.77 0.17 -2.76 117.00 118.68 2ppb n LEU 222 Ca 0.00 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 2ppb n LEU 222 Cb 0.58 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2ppb n LEU 222 CO 0.39 -0.22 0.03 0.74 -1.33 0.00 0.00 177.39 177.00 2ppb h THR 223 N 0.00 0.03 0.00 -5.08 2.02 -1.26 -3.34 112.91 105.28 2ppb h THR 223 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 2ppb h THR 223 Cb 0.54 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2ppb h THR 223 CO 0.00 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.69 2ppb n TYR 224 N -2.70 0.00 -0.47 3.16 4.01 -1.11 -2.32 117.16 117.73 2ppb n TYR 224 Ca -0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2ppb n TYR 224 Cb 0.57 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.89 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 -1.00 1.66 0.00 -0.72 0.99 -1.26 -4.69 117.46 112.45 2ppb n PHE 225 Ca 0.09 -0.64 -0.00 0.00 -0.00 0.00 0.00 57.45 56.90 2ppb n PHE 225 Cb 0.04 -0.45 -0.00 0.00 -1.00 0.00 0.00 39.48 38.07 2ppb n PHE 225 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ppb h SER 226 N 2.86 -0.02 -3.48 4.37 4.64 -1.77 -3.45 113.55 116.70 2ppb h SER 226 Ca 0.04 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.75 2ppb h SER 226 Cb 1.70 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.68 2ppb h SER 226 CO 0.42 0.05 0.50 0.20 -0.87 0.00 0.00 176.83 177.13 2ppb s ASN 227 N -3.25 6.41 0.89 4.97 -0.87 -1.26 -5.05 114.94 116.77 2ppb s ASN 227 Ca -0.00 -0.15 -0.11 0.00 -1.57 0.00 0.00 52.86 51.03 2ppb s ASN 227 Cb 0.00 -2.42 0.12 0.00 -0.02 0.00 0.00 41.25 38.93 2ppb s ASN 227 CO 0.01 -1.07 1.09 -2.84 -2.57 0.00 0.00 177.10 171.72 2ppb s PRO 228 N 3.66 1.32 0.00 -0.60 0.02 -1.26 -5.20 135.00 132.94 2ppb s PRO 228 Ca 0.32 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.33 2ppb s PRO 228 Cb -0.12 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2ppb s PRO 228 CO 0.22 -2.24 0.00 1.04 -0.33 0.00 0.00 177.00 175.69