#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s THR 6 N 0.00 2.06 0.24 0.52 -4.23 -1.26 -4.78 115.64 108.18 2wri s THR 6 Ca 0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2wri s THR 6 Cb 0.00 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.22 2wri s THR 6 CO 0.00 -0.01 1.78 -0.29 -0.54 0.00 0.00 174.62 175.55 2wri h ILE 7 N 0.08 0.81 -0.43 2.99 6.09 -2.06 0.27 117.51 125.27 2wri h ILE 7 Ca -0.49 -0.21 0.12 0.00 -1.37 0.00 0.00 64.86 62.91 2wri h ILE 7 Cb 1.32 0.14 -0.02 0.00 0.47 0.00 0.00 36.82 38.73 2wri h ILE 7 CO 0.51 0.11 0.31 -1.13 -3.07 0.00 0.00 178.15 174.88 2wri h ASN 8 N 0.62 0.00 -0.11 2.19 -0.73 -2.00 -0.82 115.58 114.73 2wri h ASN 8 Ca 0.39 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.44 2wri h ASN 8 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 2wri h ASN 8 CO -0.30 0.00 -0.38 1.56 -0.37 0.00 0.00 177.43 177.94 2wri h GLN 9 N 0.00 0.46 -0.72 6.67 4.20 -0.80 -2.51 115.11 122.41 2wri h GLN 9 Ca 0.20 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2wri h GLN 9 Cb 0.82 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 2wri h GLN 9 CO -0.00 0.97 0.47 -0.07 -0.67 0.00 0.00 178.83 179.53 2wri h LEU 10 N 0.05 0.82 -0.43 1.46 3.38 -0.86 0.92 115.31 120.65 2wri h LEU 10 Ca -0.02 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2wri h LEU 10 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2wri h LEU 10 CO 0.08 0.59 0.22 0.58 0.09 0.00 0.00 178.44 180.00 2wri h VAL 11 N 0.96 0.99 -0.08 1.22 2.07 -1.10 0.14 116.25 120.44 2wri h VAL 11 Ca 0.26 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 2wri h VAL 11 Cb -0.10 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2wri h VAL 11 CO -0.06 0.08 -0.33 0.03 0.02 0.00 0.00 177.57 177.32 2wri h ARG 12 N 0.45 0.37 0.00 1.57 3.08 -0.65 -3.42 114.38 115.79 2wri h ARG 12 Ca 0.18 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2wri h ARG 12 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wri h ARG 12 CO -0.12 0.92 -0.71 1.63 -1.07 0.00 0.00 179.97 180.62 2wri n LYS 13 N -4.41 0.38 0.00 0.04 4.01 0.30 -5.10 118.16 113.38 2wri n LYS 13 Ca -0.08 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2wri n LYS 13 Cb 0.50 -1.15 0.00 0.00 -0.51 0.00 0.00 35.03 33.87 2wri n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wri n GLY 14 N 1.57 0.48 3.77 0.72 0.00 0.46 -4.95 105.19 107.24 2wri n GLY 14 Ca -0.10 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 2wri n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wri s ARG 15 N -1.87 4.56 -0.21 1.61 1.81 -1.26 -4.95 118.95 118.64 2wri s ARG 15 Ca 0.00 1.15 -0.27 0.00 -1.72 0.00 0.00 55.73 54.90 2wri s ARG 15 Cb 0.00 -3.29 -0.00 0.00 -0.45 0.00 0.00 34.95 31.21 2wri s ARG 15 CO 0.00 0.50 0.92 -2.00 -0.68 0.00 0.00 175.30 174.05 2wri s GLU 16 N -0.90 4.26 0.48 3.54 2.12 -1.26 -5.00 118.70 121.94 2wri s GLU 16 Ca 0.37 1.15 -0.23 0.00 0.36 0.00 0.00 54.97 56.61 2wri s GLU 16 Cb -0.23 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 2wri s GLU 16 CO 0.26 -0.49 1.31 0.21 -0.54 0.00 0.00 175.26 176.00 2wri s LYS 17 N 2.72 3.56 0.00 4.30 2.36 -1.26 -4.98 119.74 126.44 2wri s LYS 17 Ca 0.40 2.13 0.00 0.00 -2.55 0.00 0.00 55.97 55.95 2wri s LYS 17 Cb -0.16 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.16 2wri s LYS 17 CO 0.09 -0.82 0.00 1.33 1.55 0.00 0.00 175.35 177.50 2wri n VAL 18 N -0.52 0.00 -0.28 4.02 0.24 -1.26 -5.05 118.33 115.48 2wri n VAL 18 Ca 0.07 0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.83 2wri n VAL 18 Cb 0.45 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 2wri n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2wri n ARG 19 N 0.00 0.00 -4.61 7.34 0.63 -1.26 -5.10 116.66 113.66 2wri n ARG 19 Ca 0.00 0.28 -0.30 0.00 -0.92 0.00 0.00 57.85 56.91 2wri n ARG 19 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 2wri n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wri s LYS 20 N -3.17 1.74 0.24 -0.14 0.00 -1.26 -5.12 119.74 112.03 2wri s LYS 20 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 55.97 54.60 2wri s LYS 20 Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 37.83 35.72 2wri s LYS 20 CO 0.00 0.50 0.77 0.15 0.00 0.00 0.00 175.35 176.77 2wri s LYS 21 N -1.66 4.34 -0.52 1.78 1.02 -1.26 -4.99 119.74 118.45 2wri s LYS 21 Ca 0.14 0.98 -0.28 0.00 0.02 0.00 0.00 55.97 56.83 2wri s LYS 21 Cb -0.10 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 2wri s LYS 21 CO 0.05 0.38 1.51 0.45 -0.92 0.00 0.00 175.35 176.81 2wri s SER 22 N -1.62 6.03 0.00 2.83 0.15 -1.26 -4.84 113.70 114.99 2wri s SER 22 Ca 0.44 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2wri s SER 22 Cb -0.17 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2wri s SER 22 CO 0.22 -1.74 0.76 1.17 1.20 0.00 0.00 173.24 174.84 2wri n LYS 23 N 8.61 0.00 -3.27 5.44 4.81 -1.26 -4.28 118.16 128.21 2wri n LYS 23 Ca 0.15 0.28 0.03 0.00 -0.87 0.00 0.00 58.31 57.90 2wri n LYS 23 Cb 0.49 -1.67 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 2wri n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wri s VAL 24 N -2.52 -0.96 -1.39 3.15 1.01 -1.26 -5.02 120.40 113.40 2wri s VAL 24 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2wri s VAL 24 Cb 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.46 2wri s VAL 24 CO 0.00 0.00 2.45 -0.81 0.00 0.00 0.00 175.10 176.74 2wri n PRO 25 N 5.43 4.26 -0.09 2.72 -0.04 -1.26 -4.61 135.00 141.41 2wri n PRO 25 Ca -0.04 -3.18 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 2wri n PRO 25 Cb 0.51 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 2wri n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wri n ALA 26 N 2.46 2.74 -0.27 0.55 0.00 -1.26 -4.91 120.51 119.82 2wri n ALA 26 Ca 0.63 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.10 2wri n ALA 26 Cb 0.26 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2wri n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wri n LEU 27 N 0.72 -0.11 -0.71 0.00 7.99 -1.26 -3.87 117.00 119.76 2wri n LEU 27 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 2wri n LEU 27 Cb 0.48 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.60 2wri n LEU 27 CO 0.00 -0.56 0.00 0.29 -1.51 0.00 0.00 177.39 175.61 2wri n LYS 28 N -1.22 -1.02 -3.81 3.23 5.02 -1.26 -0.43 118.16 118.67 2wri n LYS 28 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2wri n LYS 28 Cb 0.53 -1.07 -0.07 0.00 -0.02 0.00 0.00 35.03 34.40 2wri n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wri n GLY 29 N -0.08 -0.11 3.78 0.72 0.00 -1.26 -4.79 105.19 103.44 2wri n GLY 29 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2wri n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri s ALA 30 N -3.83 3.45 0.52 4.61 0.00 0.43 -4.94 121.76 122.00 2wri s ALA 30 Ca 0.08 0.35 0.30 0.00 0.00 0.00 0.00 51.96 52.68 2wri s ALA 30 Cb -0.05 -2.94 1.43 0.00 0.00 0.00 0.00 23.12 21.57 2wri s ALA 30 CO 0.73 0.30 1.89 -1.35 0.00 0.00 0.00 175.76 177.33 2wri h PRO 31 N 4.29 0.04 -3.53 0.00 0.11 -1.91 -3.43 132.00 127.57 2wri h PRO 31 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2wri h PRO 31 Cb 1.21 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2wri h PRO 31 CO 0.66 0.03 -0.02 -0.06 -0.21 0.00 0.00 178.00 178.40 2wri s PHE 32 N -5.03 0.37 -0.12 0.65 0.08 -1.26 -4.87 117.98 107.80 2wri s PHE 32 Ca -0.05 -0.77 -0.08 0.00 0.12 0.00 0.00 56.93 56.15 2wri s PHE 32 Cb 0.22 0.32 0.04 0.00 -0.57 0.00 0.00 43.02 43.03 2wri s PHE 32 CO 0.77 -1.15 0.30 0.50 -0.10 0.00 0.00 175.22 175.54 2wri s ARG 33 N -3.57 0.30 0.17 0.44 6.06 -1.11 -5.00 118.95 116.24 2wri s ARG 33 Ca 0.21 0.53 -0.23 0.00 -2.50 0.00 0.00 55.73 53.75 2wri s ARG 33 Cb -0.02 0.01 -0.08 0.00 0.06 0.00 0.00 34.95 34.92 2wri s ARG 33 CO 0.11 -0.11 0.73 0.50 -2.50 0.00 0.00 175.30 174.03 2wri s ARG 34 N 0.86 4.42 0.16 5.12 3.52 -1.26 -0.39 118.95 131.37 2wri s ARG 34 Ca -0.06 1.01 -0.19 0.00 -0.13 0.00 0.00 55.73 56.36 2wri s ARG 34 Cb -0.07 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.24 2wri s ARG 34 CO -0.06 0.52 0.51 0.20 -0.81 0.00 0.00 175.30 175.66 2wri s GLY 35 N -1.31 -0.37 0.12 8.12 0.00 -0.13 -2.01 107.32 111.74 2wri s GLY 35 Ca 0.37 0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.23 2wri s GLY 35 CO 0.23 -0.11 0.26 0.14 0.00 0.00 0.00 173.10 173.63 2wri s VAL 36 N -3.80 5.34 0.00 1.40 1.01 0.12 -0.09 120.40 124.38 2wri s VAL 36 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2wri s VAL 36 Cb -0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2wri s VAL 36 CO -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 174.97 2wri n THR 38 N -0.30 0.00 -3.66 0.00 5.66 0.41 -4.25 114.28 112.15 2wri n THR 38 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 2wri n THR 38 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2wri n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2wri s VAL 39 N 0.00 -0.01 -0.43 1.08 1.01 -1.25 -4.82 120.40 115.98 2wri s VAL 39 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2wri s VAL 39 Cb 0.00 -0.88 0.20 0.00 0.00 0.00 0.00 36.38 35.70 2wri s VAL 39 CO 0.00 0.01 0.43 0.52 0.00 0.00 0.00 175.10 176.06 2wri n VAL 40 N 3.90 -0.70 -1.08 2.92 0.31 -1.26 -0.66 118.33 121.76 2wri n VAL 40 Ca -0.19 -3.80 0.00 0.00 -0.01 0.00 0.00 64.34 60.34 2wri n VAL 40 Cb 0.57 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 2wri n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wri n ARG 41 N 2.18 2.49 -3.61 5.55 0.63 -1.21 -4.94 116.66 117.75 2wri n ARG 41 Ca 0.26 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.05 2wri n ARG 41 Cb 0.49 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.27 2wri n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2wri s THR 42 N 1.33 -0.39 0.30 5.15 -1.32 -1.26 -2.87 115.64 116.58 2wri s THR 42 Ca 0.00 0.19 0.07 0.00 -1.21 0.00 0.00 61.69 60.74 2wri s THR 42 Cb 0.00 -0.49 -0.02 0.00 -1.51 0.00 0.00 72.50 70.47 2wri s THR 42 CO 0.00 0.05 0.35 0.68 -2.21 0.00 0.00 174.62 173.48 2wri s VAL 43 N 2.40 4.20 -0.25 5.08 -7.23 0.35 -4.86 120.40 120.09 2wri s VAL 43 Ca 0.03 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 2wri s VAL 43 Cb -0.13 -3.42 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 2wri s VAL 43 CO -0.09 -0.23 0.23 0.42 -0.31 0.00 0.00 175.10 175.12 2wri s THR 44 N -2.17 5.30 0.76 5.32 -4.23 -1.26 -0.49 115.64 118.87 2wri s THR 44 Ca 0.40 0.30 -0.19 0.00 -1.18 0.00 0.00 61.69 61.02 2wri s THR 44 Cb -0.08 -3.57 -0.14 0.00 1.34 0.00 0.00 72.50 70.06 2wri s THR 44 CO 0.28 0.29 -1.06 -2.65 -0.54 0.00 0.00 174.62 170.94 2wri n PRO 45 N 4.62 0.00 0.00 3.99 -0.02 -1.26 -4.99 135.00 137.35 2wri n PRO 45 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2wri n PRO 45 Cb 0.52 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 2wri n PRO 45 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wri n LYS 46 N 2.01 0.00 0.00 -0.52 4.81 -1.07 -4.94 118.16 118.46 2wri n LYS 46 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2wri n LYS 46 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2wri n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wri n LYS 47 N 0.00 0.00 0.00 1.64 4.81 -1.26 -4.54 118.16 118.81 2wri n LYS 47 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 2wri n LYS 47 Cb 0.00 -0.20 0.10 0.00 0.02 0.00 0.00 35.03 34.95 2wri n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wri n PRO 48 N -0.72 0.07 -4.23 1.64 -0.04 -1.26 -4.64 135.00 125.81 2wri n PRO 48 Ca 0.00 0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 2wri n PRO 48 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2wri n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wri s ASN 49 N -2.44 4.95 -0.03 3.54 0.02 -1.26 -5.11 114.94 114.60 2wri s ASN 49 Ca 0.04 -0.13 0.01 0.00 -1.02 0.00 0.00 52.86 51.75 2wri s ASN 49 Cb 0.03 -1.20 0.02 0.00 0.02 0.00 0.00 41.25 40.12 2wri s ASN 49 CO 0.05 0.22 -0.01 -0.55 0.02 0.00 0.00 177.10 176.84 2wri s SER 50 N -1.93 0.52 0.00 -1.22 0.15 -1.26 -4.32 113.70 105.64 2wri s SER 50 Ca 0.22 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2wri s SER 50 Cb -0.11 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2wri s SER 50 CO 0.14 -0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.50 2wri n ALA 51 N 4.06 0.00 -3.49 5.45 0.00 -1.26 -4.98 120.51 120.29 2wri n ALA 51 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.89 2wri n ALA 51 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 2wri n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wri s LEU 52 N 0.00 1.49 0.24 0.00 1.43 -1.26 -4.23 118.68 116.35 2wri s LEU 52 Ca 0.00 -2.60 -0.30 0.00 -1.03 0.00 0.00 54.13 50.20 2wri s LEU 52 Cb 0.00 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 2wri s LEU 52 CO 0.00 -0.25 1.11 -0.13 0.23 0.00 0.00 176.35 177.32 2wri s ARG 53 N 0.54 4.61 -0.28 1.70 3.00 0.36 -4.80 118.95 124.07 2wri s ARG 53 Ca 0.23 1.79 -0.22 0.00 0.00 0.00 0.00 55.73 57.54 2wri s ARG 53 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 34.95 31.58 2wri s ARG 53 CO -0.07 0.13 0.69 0.15 0.00 0.00 0.00 175.30 176.20 2wri s LYS 54 N -0.97 4.03 0.47 3.54 3.01 -1.26 -0.50 119.74 128.06 2wri s LYS 54 Ca 0.47 0.55 0.02 0.00 -1.01 0.00 0.00 55.97 56.00 2wri s LYS 54 Cb -0.31 -3.69 -0.01 0.00 -1.01 0.00 0.00 37.83 32.81 2wri s LYS 54 CO 0.39 -0.53 0.08 0.14 0.51 0.00 0.00 175.35 175.94 2wri s VAL 55 N 2.68 0.78 -0.24 3.17 -7.23 -1.14 -1.93 120.40 116.49 2wri s VAL 55 Ca 0.28 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 2wri s VAL 55 Cb -0.15 -2.19 0.07 0.00 0.56 0.00 0.00 36.38 34.66 2wri s VAL 55 CO 0.10 0.00 0.62 0.00 -0.31 0.00 0.00 175.10 175.51 2wri s ALA 56 N -3.05 -1.58 0.33 1.32 0.00 -0.14 -3.30 121.76 115.34 2wri s ALA 56 Ca 0.13 1.93 -0.16 0.00 0.00 0.00 0.00 51.96 53.87 2wri s ALA 56 Cb 0.01 -1.14 -0.09 0.00 0.00 0.00 0.00 23.12 21.91 2wri s ALA 56 CO 0.09 -0.32 0.76 0.15 0.00 0.00 0.00 175.76 176.44 2wri s LYS 57 N 0.87 4.04 0.01 0.00 1.02 0.17 -0.12 119.74 125.72 2wri s LYS 57 Ca -0.04 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.68 2wri s LYS 57 Cb -0.05 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2wri s LYS 57 CO -0.07 0.14 -0.01 0.08 -0.92 0.00 0.00 175.35 174.57 2wri s VAL 58 N -1.99 0.05 -0.33 3.17 1.01 0.18 -3.00 120.40 119.50 2wri s VAL 58 Ca 0.55 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 2wri s VAL 58 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2wri s VAL 58 CO 0.17 -0.16 0.22 -0.60 0.00 0.00 0.00 175.10 174.73 2wri s ARG 59 N -0.48 3.48 0.24 2.72 6.06 0.27 -2.21 118.95 129.03 2wri s ARG 59 Ca -0.05 -0.64 -0.10 0.00 -2.50 0.00 0.00 55.73 52.43 2wri s ARG 59 Cb -0.03 -3.75 -0.07 0.00 0.06 0.00 0.00 34.95 31.15 2wri s ARG 59 CO -0.00 -0.43 0.57 -0.51 -2.50 0.00 0.00 175.30 172.43 2wri s LEU 60 N 1.70 4.15 0.48 -0.88 2.01 -0.20 0.12 118.68 126.06 2wri s LEU 60 Ca 0.06 0.95 0.15 0.00 0.01 0.00 0.00 54.13 55.30 2wri s LEU 60 Cb -0.17 -3.71 1.12 0.00 0.01 0.00 0.00 46.19 43.43 2wri s LEU 60 CO 0.10 -0.09 2.06 0.71 1.01 0.00 0.00 176.35 180.13 2wri h THR 61 N 1.97 1.07 0.00 5.49 1.35 -1.71 -0.67 112.91 120.41 2wri h THR 61 Ca -0.47 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2wri h THR 61 Cb 1.17 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2wri h THR 61 CO 0.69 0.11 0.00 -1.54 -0.25 0.00 0.00 175.52 174.53 2wri n SER 62 N -4.39 0.08 0.00 5.36 3.41 -1.26 -4.77 113.62 112.05 2wri n SER 62 Ca -0.03 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2wri n SER 62 Cb 0.18 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2wri n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wri n GLY 63 N -0.05 2.86 3.83 5.00 0.00 -0.26 -4.95 105.19 111.62 2wri n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wri n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wri s TYR 64 N -0.92 1.40 -0.47 1.61 1.51 -1.26 -4.82 117.35 114.39 2wri s TYR 64 Ca 0.00 0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.53 2wri s TYR 64 Cb 0.00 -3.88 0.18 0.00 -0.11 0.00 0.00 41.96 38.15 2wri s TYR 64 CO 0.00 -2.94 0.56 -2.00 -1.11 0.00 0.00 175.55 170.06 2wri s GLU 65 N -5.72 1.00 0.50 -0.62 2.12 -1.26 -1.03 118.70 113.69 2wri s GLU 65 Ca 0.72 -1.52 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2wri s GLU 65 Cb -0.06 -0.65 0.03 0.00 0.26 0.00 0.00 34.13 33.71 2wri s GLU 65 CO 0.54 -1.35 0.70 0.14 -0.54 0.00 0.00 175.26 174.74 2wri s VAL 66 N 0.53 2.77 -0.04 3.70 -7.23 -0.94 -4.73 120.40 114.45 2wri s VAL 66 Ca 0.31 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 2wri s VAL 66 Cb 0.02 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 2wri s VAL 66 CO -0.12 0.00 0.06 0.42 -0.31 0.00 0.00 175.10 175.15 2wri s THR 67 N -2.60 4.66 0.27 5.32 -4.23 -1.26 0.51 115.64 118.31 2wri s THR 67 Ca 0.57 -0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2wri s THR 67 Cb -0.10 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.62 2wri s THR 67 CO 0.36 0.46 0.09 0.00 -0.54 0.00 0.00 174.62 174.99 2wri s ALA 68 N -1.08 1.80 -0.11 3.99 0.00 0.83 -4.00 121.76 123.19 2wri s ALA 68 Ca 0.19 -1.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 2wri s ALA 68 Cb -0.12 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2wri s ALA 68 CO 0.09 -0.44 0.02 -0.47 0.00 0.00 0.00 175.76 174.96 2wri s TYR 69 N -3.70 3.20 -0.57 0.00 5.04 -0.44 -0.97 117.35 119.91 2wri s TYR 69 Ca 0.38 0.15 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 2wri s TYR 69 Cb 0.08 -1.87 0.15 0.00 0.35 0.00 0.00 41.96 40.66 2wri s TYR 69 CO 0.14 0.39 0.46 0.96 -1.34 0.00 0.00 175.55 176.16 2wri s ILE 70 N -0.55 4.54 0.96 3.14 -4.36 -0.81 -0.56 121.20 123.56 2wri s ILE 70 Ca 0.10 -2.06 -0.12 0.00 -0.26 0.00 0.00 60.65 58.31 2wri s ILE 70 Cb -0.12 -3.93 0.17 0.00 1.25 0.00 0.00 42.46 39.82 2wri s ILE 70 CO 0.02 -0.85 0.34 -2.65 0.24 0.00 0.00 174.94 172.04 2wri n PRO 71 N 4.56 -2.18 -1.21 0.37 -0.02 -1.26 -4.74 135.00 130.52 2wri n PRO 71 Ca -0.02 -0.65 0.13 0.00 -2.02 0.00 0.00 63.50 60.95 2wri n PRO 71 Cb 0.41 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 2wri n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wri n GLY 72 N 2.50 -2.16 3.63 -1.23 0.00 -1.26 -4.70 105.19 101.97 2wri n GLY 72 Ca 0.06 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2wri n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wri s GLU 73 N -3.78 3.97 0.00 1.61 2.02 -1.26 -4.81 118.70 116.44 2wri s GLU 73 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.90 2wri s GLU 73 Cb 0.00 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.45 2wri s GLU 73 CO 0.00 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.69 2wri n GLY 74 N 4.13 -1.91 3.73 -1.39 0.00 -1.26 -4.73 105.19 103.76 2wri n GLY 74 Ca 0.11 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2wri n GLY 74 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wri s HIS 75 N -1.48 -0.16 -0.31 1.61 -3.43 -1.26 -4.84 115.29 105.41 2wri s HIS 75 Ca 0.00 -0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.03 2wri s HIS 75 Cb 0.00 0.59 0.10 0.00 -1.43 0.00 0.00 32.58 31.84 2wri s HIS 75 CO 0.00 -1.13 0.07 0.54 -2.00 0.00 0.00 174.74 172.22 2wri s ASN 76 N -2.90 4.25 -0.15 7.38 4.22 -1.26 -5.10 114.94 121.38 2wri s ASN 76 Ca 0.11 -1.76 -0.13 0.00 -2.14 0.00 0.00 52.86 48.94 2wri s ASN 76 Cb -0.04 -1.15 0.04 0.00 1.28 0.00 0.00 41.25 41.38 2wri s ASN 76 CO 0.04 -0.39 0.38 -0.76 -2.04 0.00 0.00 177.10 174.33 2wri s LEU 77 N 1.36 0.48 0.31 3.54 1.43 -1.26 -4.58 118.68 119.95 2wri s LEU 77 Ca 0.09 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2wri s LEU 77 Cb -0.18 1.31 -0.05 0.00 0.03 0.00 0.00 46.19 47.30 2wri s LEU 77 CO -0.17 -0.14 0.10 -1.10 0.23 0.00 0.00 176.35 175.27 2wri s GLN 78 N 0.32 1.60 0.07 1.70 -0.21 -1.26 -4.94 119.66 116.94 2wri s GLN 78 Ca -0.01 -1.90 -0.14 0.00 0.02 0.00 0.00 55.36 53.33 2wri s GLN 78 Cb -0.03 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.47 2wri s GLN 78 CO -0.01 -0.32 0.92 -1.91 -2.12 0.00 0.00 175.29 171.85 2wri n GLU 79 N -0.63 -0.19 -3.22 2.91 2.13 -1.26 -3.71 120.64 116.67 2wri n GLU 79 Ca -0.01 0.91 -0.33 0.00 0.66 0.00 0.00 57.16 58.38 2wri n GLU 79 Cb 0.66 -1.34 -0.06 0.00 0.27 0.00 0.00 31.44 30.97 2wri n GLU 79 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2wri s HIS 80 N -4.51 3.45 0.00 4.31 3.76 -1.26 -0.45 115.29 120.59 2wri s HIS 80 Ca -0.05 1.14 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 2wri s HIS 80 Cb 0.05 -2.47 0.00 0.00 1.11 0.00 0.00 32.58 31.27 2wri s HIS 80 CO 0.27 0.20 0.00 0.45 -0.85 0.00 0.00 174.74 174.81 2wri n SER 81 N -0.05 0.00 -4.77 1.40 2.88 -1.24 -4.83 113.62 107.01 2wri n SER 81 Ca 0.01 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.17 2wri n SER 81 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 2wri n SER 81 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2wri s VAL 82 N 0.00 3.07 0.13 2.46 1.01 -1.26 -1.04 120.40 124.77 2wri s VAL 82 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 2wri s VAL 82 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.90 2wri s VAL 82 CO 0.00 0.09 0.41 -0.69 0.00 0.00 0.00 175.10 174.90 2wri s VAL 83 N -1.39 0.07 -0.18 2.92 1.01 0.87 -2.51 120.40 121.18 2wri s VAL 83 Ca 0.57 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2wri s VAL 83 Cb -0.32 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2wri s VAL 83 CO 0.40 -0.30 -0.05 -0.22 0.00 0.00 0.00 175.10 174.92 2wri s LEU 84 N -2.81 3.03 0.26 3.92 2.96 -1.26 -0.96 118.68 123.82 2wri s LEU 84 Ca 0.04 -0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 2wri s LEU 84 Cb 0.02 -1.74 -0.08 0.00 0.50 0.00 0.00 46.19 44.88 2wri s LEU 84 CO -0.11 0.09 0.67 -0.63 -1.32 0.00 0.00 176.35 175.04 2wri s ILE 85 N 0.83 4.74 0.00 6.68 1.09 0.47 -0.31 121.20 134.70 2wri s ILE 85 Ca -0.01 0.89 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 2wri s ILE 85 Cb -0.15 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 2wri s ILE 85 CO 0.01 -0.04 0.00 -1.14 -0.10 0.00 0.00 174.94 173.68 2wri n ARG 86 N 0.03 3.10 -1.61 2.79 0.63 0.14 -2.77 116.66 118.98 2wri n ARG 86 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2wri n ARG 86 Cb 0.52 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.71 2wri n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wri n GLY 87 N 1.63 -4.89 0.00 5.14 0.00 -1.25 -4.76 105.19 101.06 2wri n GLY 87 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wri n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLY 88 N 1.33 0.57 3.07 -0.02 0.00 -0.99 -4.60 105.19 104.54 2wri n GLY 88 Ca 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 2wri n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wri n ARG 89 N 0.00 -1.80 -3.54 1.61 1.85 -1.22 -3.86 116.66 109.71 2wri n ARG 89 Ca 0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 57.85 56.03 2wri n ARG 89 Cb 0.00 -1.46 -0.12 0.00 -1.05 0.00 0.00 32.46 29.83 2wri n ARG 89 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wri s VAL 90 N -2.10 0.60 0.00 8.89 1.01 -1.17 -4.86 120.40 122.77 2wri s VAL 90 Ca 0.39 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.25 2wri s VAL 90 Cb -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2wri s VAL 90 CO 0.43 -0.99 0.31 1.17 0.00 0.00 0.00 175.10 176.02 2wri n LYS 91 N 3.71 0.00 0.00 2.72 3.00 -1.26 -1.31 118.16 125.02 2wri n LYS 91 Ca 0.13 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2wri n LYS 91 Cb 0.37 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2wri n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2wri n ASP 92 N 3.24 0.00 -4.37 3.14 2.03 -1.26 -5.02 116.55 114.30 2wri n ASP 92 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 2wri n ASP 92 Cb 0.00 0.11 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2wri n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wri s LEU 93 N -3.12 5.54 0.18 -2.67 1.43 -0.43 -2.61 118.68 117.00 2wri s LEU 93 Ca 0.00 -1.40 -0.32 0.00 -1.03 0.00 0.00 54.13 51.38 2wri s LEU 93 Cb 0.00 -2.29 -0.12 0.00 0.03 0.00 0.00 46.19 43.82 2wri s LEU 93 CO 0.00 -0.93 1.77 -2.65 0.23 0.00 0.00 176.35 174.77 2wri n PRO 94 N 5.85 2.80 0.00 1.29 -0.02 -1.26 -1.41 135.00 142.25 2wri n PRO 94 Ca -0.10 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2wri n PRO 94 Cb 0.43 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.03 2wri n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wri n GLY 95 N 4.07 0.24 3.42 -1.23 0.00 -1.26 -5.05 105.19 105.38 2wri n GLY 95 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2wri n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 96 N -2.00 4.70 -0.04 1.61 1.01 -0.50 -4.58 120.40 120.60 2wri s VAL 96 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2wri s VAL 96 Cb 0.00 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.95 2wri s VAL 96 CO 0.00 -0.10 1.01 0.54 0.00 0.00 0.00 175.10 176.55 2wri n ARG 97 N 5.01 2.17 -3.83 2.72 1.74 -1.26 -3.03 116.66 120.19 2wri n ARG 97 Ca -0.13 -1.74 -0.12 0.00 -0.77 0.00 0.00 57.85 55.10 2wri n ARG 97 Cb 0.48 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 2wri n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wri s TYR 98 N -1.47 -0.03 0.19 -1.55 1.51 -1.25 -2.34 117.35 112.42 2wri s TYR 98 Ca 0.10 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 2wri s TYR 98 Cb 0.08 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.90 2wri s TYR 98 CO 0.01 -0.37 0.11 -1.01 -1.11 0.00 0.00 175.55 173.18 2wri s HIS 99 N -1.78 3.05 -0.13 2.71 3.76 -1.25 -1.32 115.29 120.31 2wri s HIS 99 Ca -0.11 -0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 54.64 2wri s HIS 99 Cb -0.05 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2wri s HIS 99 CO 0.01 0.53 0.16 0.42 -0.85 0.00 0.00 174.74 175.00 2wri s ILE 100 N -1.87 5.45 0.08 0.60 1.01 0.27 0.27 121.20 127.02 2wri s ILE 100 Ca 0.31 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 2wri s ILE 100 Cb -0.09 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2wri s ILE 100 CO 0.22 0.57 1.03 -0.69 0.00 0.00 0.00 174.94 176.07 2wri s VAL 101 N -0.66 4.43 -0.14 2.92 1.01 0.57 -4.62 120.40 123.92 2wri s VAL 101 Ca 0.14 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 2wri s VAL 101 Cb -0.12 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2wri s VAL 101 CO 0.03 0.22 0.42 -0.13 0.00 0.00 0.00 175.10 175.65 2wri s ARG 102 N 0.44 4.31 0.00 2.72 1.81 -1.26 -4.28 118.95 122.69 2wri s ARG 102 Ca 0.51 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.86 2wri s ARG 102 Cb -0.25 -3.44 0.00 0.00 -0.45 0.00 0.00 34.95 30.81 2wri s ARG 102 CO 0.30 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.50 2wri n GLY 103 N 3.34 1.27 2.76 -3.53 0.00 -0.18 -3.53 105.19 105.33 2wri n GLY 103 Ca -0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 2wri n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 104 N -2.00 -0.04 0.00 1.61 1.01 -1.06 -4.93 120.40 114.99 2wri s VAL 104 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2wri s VAL 104 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 2wri s VAL 104 CO 0.00 0.11 0.00 -1.22 0.00 0.00 0.00 175.10 173.99 2wri n TYR 105 N 4.32 -0.21 0.43 5.22 0.53 -1.26 -2.78 117.16 123.42 2wri n TYR 105 Ca -0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.63 2wri n TYR 105 Cb 0.50 0.11 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 2wri n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wri n ASP 106 N -2.46 0.03 -4.28 7.72 8.00 -1.05 -4.45 116.55 120.08 2wri n ASP 106 Ca 0.00 -0.47 -0.44 0.00 0.71 0.00 0.00 54.79 54.59 2wri n ASP 106 Cb 0.00 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 2wri n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wri s ALA 107 N -1.86 3.60 1.16 2.24 0.00 -1.12 -4.81 121.76 120.97 2wri s ALA 107 Ca 0.00 -2.60 -0.15 0.00 0.00 0.00 0.00 51.96 49.21 2wri s ALA 107 Cb 0.00 -3.14 0.22 0.00 0.00 0.00 0.00 23.12 20.20 2wri s ALA 107 CO 0.00 -2.00 0.61 0.00 0.00 0.00 0.00 175.76 174.37 2wri n ALA 108 N 5.03 -3.43 -1.71 0.00 0.00 -1.26 -1.01 120.51 118.14 2wri n ALA 108 Ca -0.10 -1.23 -0.05 0.00 0.00 0.00 0.00 53.44 52.06 2wri n ALA 108 Cb 0.41 -1.81 0.04 0.00 0.00 0.00 0.00 19.45 18.09 2wri n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wri n GLY 109 N 1.43 -0.34 3.55 0.00 0.00 -1.26 -2.61 105.19 105.96 2wri n GLY 109 Ca 0.02 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2wri n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 110 N -1.16 5.03 0.01 1.61 1.01 -0.91 -4.87 120.40 121.12 2wri s VAL 110 Ca 0.17 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 2wri s VAL 110 Cb -0.01 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 2wri s VAL 110 CO 0.11 -0.22 1.79 -0.75 0.00 0.00 0.00 175.10 176.03 2wri s LYS 111 N 2.35 4.17 0.00 2.72 2.20 -1.26 -2.97 119.74 126.94 2wri s LYS 111 Ca 0.18 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2wri s LYS 111 Cb -0.16 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2wri s LYS 111 CO 0.13 -0.87 0.00 -0.25 -0.36 0.00 0.00 175.35 174.00 2wri n ASP 112 N 7.01 0.00 -4.68 1.43 10.43 -1.26 -5.01 116.55 124.47 2wri n ASP 112 Ca 0.18 0.00 -0.45 0.00 2.57 0.00 0.00 54.79 57.09 2wri n ASP 112 Cb 0.42 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.34 2wri n ASP 112 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 2wri n ARG 113 N -2.00 2.38 0.00 -1.24 3.00 -1.16 -4.85 116.66 112.79 2wri n ARG 113 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 2wri n ARG 113 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 32.46 29.78 2wri n ARG 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wri n LYS 114 N 4.32 1.76 0.00 -0.14 5.02 -1.26 -4.91 118.16 122.94 2wri n LYS 114 Ca 0.18 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 2wri n LYS 114 Cb 0.31 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 2wri n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wri n LYS 115 N -0.31 0.00 -1.75 1.97 4.76 -1.26 -4.87 118.16 116.69 2wri n LYS 115 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 2wri n LYS 115 Cb 0.28 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.38 2wri n LYS 115 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2wri s SER 116 N 0.09 4.10 0.14 4.39 0.01 -1.26 -4.60 113.70 116.56 2wri s SER 116 Ca 0.00 -0.80 0.18 0.00 1.31 0.00 0.00 55.95 56.63 2wri s SER 116 Cb 0.00 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 2wri s SER 116 CO 0.00 -3.93 1.00 0.03 0.41 0.00 0.00 173.24 170.75 2wri h ARG 117 N 11.47 0.00 -0.83 12.44 3.08 -1.89 -3.30 114.38 135.35 2wri h ARG 117 Ca 0.06 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.29 2wri h ARG 117 Cb 0.99 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.93 2wri h ARG 117 CO 1.08 0.25 0.35 1.03 -1.07 0.00 0.00 179.97 181.61 2wri h SER 118 N 0.00 0.32 -3.59 7.04 0.87 -1.84 -2.15 113.55 114.20 2wri h SER 118 Ca -0.10 0.13 -0.50 0.00 -1.23 0.00 0.00 61.79 60.09 2wri h SER 118 Cb 1.41 0.10 0.01 0.00 -0.44 0.00 0.00 62.40 63.48 2wri h SER 118 CO 0.04 0.07 0.08 -0.54 -0.53 0.00 0.00 176.83 175.95 2wri s LYS 119 N -5.96 3.69 0.00 2.24 1.02 -1.24 -3.62 119.74 115.87 2wri s LYS 119 Ca -0.12 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.20 2wri s LYS 119 Cb 0.23 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2wri s LYS 119 CO 0.77 -0.05 0.00 0.66 -0.92 0.00 0.00 175.35 175.81 2wri n TYR 120 N -1.52 0.00 -3.02 3.18 4.02 -1.26 -4.51 117.16 114.05 2wri n TYR 120 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.87 2wri n TYR 120 Cb 0.54 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2wri n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 121 N -2.00 -1.64 3.06 2.72 0.00 -0.84 -2.14 105.19 104.36 2wri n GLY 121 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 2wri n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wri s THR 122 N -1.34 -0.03 0.36 2.61 2.01 -1.04 -3.45 115.64 114.76 2wri s THR 122 Ca 0.04 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 2wri s THR 122 Cb -0.01 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.05 2wri s THR 122 CO 0.38 0.05 1.15 -0.54 -0.69 0.00 0.00 174.62 174.97 2wri s LYS 123 N 1.04 4.27 -0.41 4.92 -0.14 -1.26 -4.71 119.74 123.45 2wri s LYS 123 Ca -0.08 1.83 -0.27 0.00 -1.36 0.00 0.00 55.97 56.09 2wri s LYS 123 Cb -0.09 -2.85 -0.06 0.00 -1.68 0.00 0.00 37.83 33.15 2wri s LYS 123 CO -0.07 -0.13 2.33 0.21 -0.76 0.00 0.00 175.35 176.94 2wri s LYS 124 N -2.02 2.42 0.46 1.68 2.20 -1.26 -4.91 119.74 118.31 2wri s LYS 124 Ca 0.53 1.56 -0.25 0.00 -0.36 0.00 0.00 55.97 57.45 2wri s LYS 124 Cb -0.31 -4.51 -0.08 0.00 -1.51 0.00 0.00 37.83 31.42 2wri s LYS 124 CO 0.39 -2.91 1.41 -1.25 -0.36 0.00 0.00 175.35 172.64 2wri s PRO 125 N 7.64 3.63 -0.05 4.03 0.04 -1.26 -4.91 135.00 144.12 2wri s PRO 125 Ca 0.97 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 64.10 2wri s PRO 125 Cb -0.21 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2wri s PRO 125 CO 0.29 -0.85 0.98 0.21 0.04 0.00 0.00 177.00 177.66 2wri s LYS 126 N -2.50 4.50 0.00 4.56 2.47 -1.26 -4.90 119.74 122.60 2wri s LYS 126 Ca 0.62 1.39 0.19 0.00 -1.56 0.00 0.00 55.97 56.61 2wri s LYS 126 Cb -0.43 -3.50 0.82 0.00 -1.46 0.00 0.00 37.83 33.26 2wri s LYS 126 CO 0.55 -0.16 1.59 0.39 0.16 0.00 0.00 175.35 177.88 2wri n GLU 127 N 4.38 0.05 -2.97 4.03 1.02 -1.26 -4.91 120.64 120.97 2wri n GLU 127 Ca 0.07 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 2wri n GLU 127 Cb 0.50 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 2wri n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wri n ALA 128 N -1.46 -2.29 0.00 0.62 0.00 -1.26 -5.36 120.51 110.75 2wri n ALA 128 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wri n ALA 128 Cb 0.20 -3.70 0.00 0.00 0.00 0.00 0.00 19.45 15.95 2wri n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50