#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vet s LEU 2 N 0.00 4.55 0.34 -0.89 1.43 -1.26 -5.04 118.68 117.80 1vet s LEU 2 Ca 0.00 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 1vet s LEU 2 Cb 0.00 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1vet s LEU 2 CO 0.00 0.07 0.81 -0.13 0.23 0.00 0.00 176.35 177.33 1vet s ARG 3 N -1.46 4.15 0.13 1.70 0.52 -1.26 -4.77 118.95 117.96 1vet s ARG 3 Ca 0.44 0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 56.43 1vet s ARG 3 Cb -0.24 -2.46 0.13 0.00 0.52 0.00 0.00 34.95 32.89 1vet s ARG 3 CO 0.30 0.15 0.85 -0.35 0.02 0.00 0.00 175.30 176.27 1vet n PRO 4 N -0.19 -0.13 -0.19 3.54 -0.04 -1.26 0.42 135.00 137.15 1vet n PRO 4 Ca 0.03 0.84 -0.07 0.00 -0.04 0.00 0.00 63.50 64.27 1vet n PRO 4 Cb 0.53 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.76 1vet n PRO 4 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1vet h LYS 5 N 0.00 0.76 -0.40 0.54 1.57 -2.01 -2.58 116.57 114.46 1vet h LYS 5 Ca 0.19 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1vet h LYS 5 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1vet h LYS 5 CO -0.54 0.59 0.13 0.00 -0.57 0.00 0.00 179.45 179.06 1vet h ALA 6 N 1.13 1.48 -0.16 3.86 0.00 -0.40 -2.75 119.26 122.43 1vet h ALA 6 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1vet h ALA 6 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1vet h ALA 6 CO -0.03 0.39 -0.02 1.25 0.00 0.00 0.00 179.25 180.84 1vet h LEU 7 N 0.57 0.30 -0.82 0.00 7.12 -0.82 -2.35 115.31 119.32 1vet h LEU 7 Ca 0.14 -0.34 0.12 0.00 0.13 0.00 0.00 57.88 57.92 1vet h LEU 7 Cb 0.17 -0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 40.13 1vet h LEU 7 CO -0.01 0.57 0.43 0.74 -0.13 0.00 0.00 178.44 180.04 1vet h THR 8 N 0.02 0.81 -0.38 1.05 2.02 -1.23 0.01 112.91 115.22 1vet h THR 8 Ca 0.04 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 1vet h THR 8 Cb 0.43 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1vet h THR 8 CO 0.01 0.12 -0.27 1.56 0.37 0.00 0.00 175.52 177.31 1vet h GLN 9 N 0.68 0.80 -0.60 6.66 1.08 -1.41 -0.62 115.11 121.69 1vet h GLN 9 Ca 0.42 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1vet h GLN 9 Cb 0.50 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1vet h GLN 9 CO -0.31 0.98 0.34 0.28 -0.95 0.00 0.00 178.83 179.17 1vet h VAL 10 N 0.68 1.19 -0.74 -0.54 2.07 -0.68 -1.49 116.25 116.75 1vet h VAL 10 Ca 0.08 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1vet h VAL 10 Cb 0.81 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1vet h VAL 10 CO 0.07 0.20 0.23 -0.07 0.02 0.00 0.00 177.57 178.02 1vet h LEU 11 N 0.81 1.07 -1.36 2.57 3.38 -0.74 -2.84 115.31 118.21 1vet h LEU 11 Ca 0.21 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1vet h LEU 11 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1vet h LEU 11 CO -0.04 1.00 -0.32 0.77 0.09 0.00 0.00 178.44 179.94 1vet h SER 12 N 1.09 0.00 0.70 -0.43 4.64 -0.53 -2.40 113.55 116.63 1vet h SER 12 Ca 0.24 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1vet h SER 12 Cb 0.31 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1vet h SER 12 CO -0.01 0.32 -0.24 1.56 -0.87 0.00 0.00 176.83 177.59 1vet h GLN 13 N 0.00 0.00 0.00 4.77 4.20 -1.05 -2.93 115.11 120.10 1vet h GLN 13 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1vet h GLN 13 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1vet h GLN 13 CO 0.04 0.24 -0.15 0.00 -0.67 0.00 0.00 178.83 178.30 1vet h ALA 14 N 1.76 1.02 -0.14 3.87 0.00 -1.37 -3.38 119.26 121.01 1vet h ALA 14 Ca -0.00 -0.13 -0.67 0.00 0.00 0.00 0.00 54.91 54.11 1vet h ALA 14 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1vet h ALA 14 CO 0.03 0.18 2.67 0.09 0.00 0.00 0.00 179.25 182.22 1vet n ASN 15 N -3.29 3.61 -4.32 0.00 3.02 -1.11 -4.82 115.26 108.35 1vet n ASN 15 Ca 0.00 -2.80 -0.17 0.00 -0.03 0.00 0.00 54.58 51.58 1vet n ASN 15 Cb 0.39 -1.53 -0.10 0.00 -0.61 0.00 0.00 39.78 37.93 1vet n ASN 15 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1vet s THR 16 N 4.28 1.32 -1.10 3.41 -4.23 -1.21 -4.76 115.64 113.34 1vet s THR 16 Ca 0.52 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1vet s THR 16 Cb 0.12 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1vet s THR 16 CO 0.00 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1vet n GLY 17 N -0.37 -0.23 0.00 3.99 0.00 -1.26 -1.68 105.19 105.64 1vet n GLY 17 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1vet n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vet n GLY 18 N -0.71 2.17 3.69 -0.02 0.00 -1.26 -4.86 105.19 104.20 1vet n GLY 18 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1vet n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vet s VAL 19 N -2.06 4.54 -0.09 1.61 1.01 -0.68 -1.25 120.40 123.49 1vet s VAL 19 Ca 0.00 1.83 0.14 0.00 0.00 0.00 0.00 61.98 63.95 1vet s VAL 19 Cb 0.00 -4.18 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 1vet s VAL 19 CO 0.00 0.02 0.17 0.00 0.00 0.00 0.00 175.10 175.29 1vet n GLN 20 N 4.97 1.16 -3.79 2.72 10.64 0.19 -3.36 117.38 129.91 1vet n GLN 20 Ca 0.09 -0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 55.07 1vet n GLN 20 Cb 0.48 -1.36 -0.10 0.00 -0.86 0.00 0.00 30.24 28.40 1vet n GLN 20 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1vet s SER 21 N -4.28 -0.18 -0.06 2.61 1.04 -1.18 -2.24 113.70 109.41 1vet s SER 21 Ca -0.06 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1vet s SER 21 Cb 0.07 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1vet s SER 21 CO 0.60 -0.32 -0.04 -0.89 0.98 0.00 0.00 173.24 173.56 1vet s THR 22 N -0.86 0.60 0.13 2.02 2.01 -0.56 -1.04 115.64 117.93 1vet s THR 22 Ca -0.09 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.86 1vet s THR 22 Cb -0.05 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1vet s THR 22 CO 0.02 0.26 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.30 1vet s LEU 23 N 1.24 2.39 -0.10 4.42 1.43 0.83 -2.36 118.68 126.53 1vet s LEU 23 Ca -0.06 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1vet s LEU 23 Cb -0.14 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1vet s LEU 23 CO -0.02 -0.09 -0.20 -0.76 0.23 0.00 0.00 176.35 175.51 1vet s LEU 24 N -2.41 1.95 0.12 1.79 1.43 -0.10 -1.52 118.68 119.94 1vet s LEU 24 Ca 0.10 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 1vet s LEU 24 Cb -0.06 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1vet s LEU 24 CO 0.04 0.11 0.17 -1.48 0.23 0.00 0.00 176.35 175.41 1vet s LEU 25 N 0.54 1.49 0.55 1.79 2.34 -0.36 0.06 118.68 125.09 1vet s LEU 25 Ca -0.15 -0.87 0.01 0.00 0.06 0.00 0.00 54.13 53.17 1vet s LEU 25 Cb -0.17 0.83 0.03 0.00 -0.56 0.00 0.00 46.19 46.33 1vet s LEU 25 CO 0.05 -0.76 0.78 0.54 -1.06 0.00 0.00 176.35 175.90 1vet s ASN 26 N -2.94 5.31 0.57 1.48 6.03 -0.81 -0.85 114.94 123.72 1vet s ASN 26 Ca 0.13 0.05 0.28 0.00 -1.03 0.00 0.00 52.86 52.29 1vet s ASN 26 Cb 0.05 -0.96 1.50 0.00 -3.03 0.00 0.00 41.25 38.82 1vet s ASN 26 CO -0.05 -1.12 1.99 0.78 -2.03 0.00 0.00 177.10 176.67 1vet h ASN 27 N 0.06 0.00 1.29 3.54 2.35 -1.92 0.66 115.58 121.57 1vet h ASN 27 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1vet h ASN 27 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1vet h ASN 27 CO 0.53 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.98 1vet h GLU 28 N 0.00 0.00 0.00 0.81 3.07 -1.95 -3.46 114.58 113.05 1vet h GLU 28 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1vet h GLU 28 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1vet h GLU 28 CO -0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1vet n GLY 29 N 0.88 0.90 3.73 -3.84 0.00 0.23 -4.92 105.19 102.17 1vet n GLY 29 Ca 0.04 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1vet n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vet s SER 30 N -2.04 7.47 -0.03 1.61 1.04 -1.25 -3.61 113.70 116.88 1vet s SER 30 Ca 0.00 1.76 -0.30 0.00 0.48 0.00 0.00 55.95 57.89 1vet s SER 30 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1vet s SER 30 CO 0.00 -0.06 1.45 -0.22 0.98 0.00 0.00 173.24 175.39 1vet s LEU 31 N -0.00 4.30 -0.19 2.42 0.20 -1.26 -1.92 118.68 122.22 1vet s LEU 31 Ca 0.46 2.10 0.15 0.00 0.69 0.00 0.00 54.13 57.53 1vet s LEU 31 Cb -0.23 -3.55 -0.23 0.00 -0.43 0.00 0.00 46.19 41.75 1vet s LEU 31 CO 0.29 -0.78 0.04 0.18 -0.29 0.00 0.00 176.35 175.79 1vet n LEU 32 N 5.94 0.30 -3.53 -0.68 4.77 0.11 -4.97 117.00 118.94 1vet n LEU 32 Ca 0.14 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1vet n LEU 32 Cb 0.43 0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.81 1vet n LEU 32 CO 0.59 0.51 0.56 0.00 -1.33 0.00 0.00 177.39 177.73 1vet s ALA 33 N -2.46 -1.81 0.05 -1.18 0.00 -0.72 -4.97 121.76 110.67 1vet s ALA 33 Ca -0.12 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.04 1vet s ALA 33 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1vet s ALA 33 CO 0.76 -0.42 0.20 -0.47 0.00 0.00 0.00 175.76 175.83 1vet s TYR 34 N -1.60 0.06 -0.27 0.00 5.04 -1.26 -0.93 117.35 118.39 1vet s TYR 34 Ca -0.06 -0.31 -0.23 0.00 -2.44 0.00 0.00 57.07 54.04 1vet s TYR 34 Cb -0.00 -0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.36 1vet s TYR 34 CO 0.03 -0.45 0.76 -1.54 -1.34 0.00 0.00 175.55 173.01 1vet s SER 35 N -2.21 -0.75 0.00 4.32 1.04 -1.00 -4.94 113.70 110.17 1vet s SER 35 Ca -0.03 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1vet s SER 35 Cb -0.00 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.49 1vet s SER 35 CO -0.05 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1vet n GLY 36 N 3.04 0.54 3.36 7.32 0.00 -1.26 -1.50 105.19 116.69 1vet n GLY 36 Ca -0.15 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.48 1vet n GLY 36 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vet s TYR 37 N -0.04 0.41 0.00 1.61 -0.85 -0.95 -4.98 117.35 112.55 1vet s TYR 37 Ca 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 1vet s TYR 37 Cb 0.00 -0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.30 1vet s TYR 37 CO 0.00 -0.74 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 1vet n GLY 38 N -0.23 0.00 2.24 5.49 0.00 -1.26 -4.37 105.19 107.06 1vet n GLY 38 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1vet n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vet n ASP 39 N 0.00 -3.92 -4.30 1.61 -0.08 -1.26 -5.01 116.55 103.59 1vet n ASP 39 Ca 0.00 0.14 -0.33 0.00 -1.51 0.00 0.00 54.79 53.09 1vet n ASP 39 Cb 0.00 -1.94 -0.15 0.00 2.34 0.00 0.00 41.12 41.38 1vet n ASP 39 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1vet s THR 40 N -2.14 2.86 -0.38 5.18 2.01 -1.26 -5.05 115.64 116.86 1vet s THR 40 Ca 0.00 -0.70 -0.34 0.00 0.31 0.00 0.00 61.69 60.95 1vet s THR 40 Cb 0.00 -2.22 -0.11 0.00 0.01 0.00 0.00 72.50 70.18 1vet s THR 40 CO 0.00 0.51 2.23 -0.67 -0.69 0.00 0.00 174.62 175.99 1vet n ASP 41 N 4.00 2.10 -0.49 3.53 -0.08 -1.26 -4.80 116.55 119.56 1vet n ASP 41 Ca -0.19 0.34 0.40 0.00 -1.51 0.00 0.00 54.79 53.83 1vet n ASP 41 Cb 0.52 -1.28 0.70 0.00 2.34 0.00 0.00 41.12 43.40 1vet n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vet h ALA 42 N 12.89 3.03 0.00 -1.67 0.00 -2.00 1.18 119.26 132.69 1vet h ALA 42 Ca -0.26 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1vet h ALA 42 Cb 1.31 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1vet h ALA 42 CO 1.04 -1.60 -0.58 0.00 0.00 0.00 0.00 179.25 178.11 1vet h ARG 43 N 0.07 0.00 -0.12 0.00 3.08 -1.96 -2.46 114.38 112.98 1vet h ARG 43 Ca 0.81 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.64 1vet h ARG 43 Cb 2.77 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.83 1vet h ARG 43 CO -0.27 0.58 -0.78 0.28 -1.07 0.00 0.00 179.97 178.71 1vet h VAL 44 N 0.00 1.29 -0.51 2.04 2.07 0.11 -2.82 116.25 118.42 1vet h VAL 44 Ca -0.01 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 1vet h VAL 44 Cb 1.04 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 1vet h VAL 44 CO 0.08 0.63 0.26 0.74 0.02 0.00 0.00 177.57 179.29 1vet h THR 45 N 0.46 1.19 -0.33 2.57 2.02 -1.29 -2.48 112.91 115.05 1vet h THR 45 Ca -0.06 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1vet h THR 45 Cb 1.42 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1vet h THR 45 CO 0.16 0.21 0.21 0.00 0.37 0.00 0.00 175.52 176.47 1vet h ALA 46 N 1.10 0.41 0.68 6.16 0.00 -1.48 0.84 119.26 126.97 1vet h ALA 46 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vet h ALA 46 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vet h ALA 46 CO -0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 179.25 178.74 1vet h ALA 47 N 1.10 -1.00 -0.44 0.00 0.00 -1.35 0.20 119.26 117.78 1vet h ALA 47 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1vet h ALA 47 Cb -0.03 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1vet h ALA 47 CO -0.02 -1.07 0.20 0.82 0.00 0.00 0.00 179.25 179.18 1vet h ILE 48 N -0.98 0.94 -0.79 0.00 2.04 -1.41 0.32 117.51 117.63 1vet h ILE 48 Ca -0.09 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.74 1vet h ILE 48 Cb 0.78 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1vet h ILE 48 CO 0.12 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.75 1vet h ALA 49 N 1.25 1.13 -0.09 1.87 0.00 -0.66 0.22 119.26 122.98 1vet h ALA 49 Ca 0.19 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1vet h ALA 49 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vet h ALA 49 CO -0.15 -0.02 -0.48 0.66 0.00 0.00 0.00 179.25 179.25 1vet h SER 50 N 0.66 0.24 -0.36 0.00 4.64 0.15 -1.29 113.55 117.59 1vet h SER 50 Ca 0.40 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1vet h SER 50 Cb 0.46 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1vet h SER 50 CO -0.30 0.68 -0.11 0.78 -0.87 0.00 0.00 176.83 177.02 1vet h ASN 51 N 0.18 0.73 -0.32 4.97 2.35 0.95 -1.26 115.58 123.17 1vet h ASN 51 Ca 0.01 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1vet h ASN 51 Cb 0.92 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1vet h ASN 51 CO 0.07 0.94 0.01 0.40 -1.65 0.00 0.00 177.43 177.20 1vet h ILE 52 N 0.51 1.25 -0.57 2.81 2.04 -0.55 -1.44 117.51 121.56 1vet h ILE 52 Ca 0.09 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 1vet h ILE 52 Cb 0.63 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1vet h ILE 52 CO 0.04 0.31 0.12 -0.25 0.00 0.00 0.00 178.15 178.36 1vet h TRP 53 N 0.37 0.94 -0.29 1.37 2.91 -1.21 -2.64 115.95 117.40 1vet h TRP 53 Ca 0.09 -0.10 -0.13 0.00 1.13 0.00 0.00 58.89 59.88 1vet h TRP 53 Cb 0.43 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.80 1vet h TRP 53 CO 0.03 0.80 -0.35 0.00 -1.03 0.00 0.00 178.44 177.89 1vet h ALA 54 N 1.26 0.83 -0.34 2.65 0.00 -1.10 0.88 119.26 123.45 1vet h ALA 54 Ca 0.18 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1vet h ALA 54 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1vet h ALA 54 CO 0.00 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.09 1vet h ALA 55 N 1.06 0.44 0.00 0.00 0.00 -1.02 -1.80 119.26 117.94 1vet h ALA 55 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vet h ALA 55 Cb 0.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vet h ALA 55 CO 0.07 -0.05 -0.27 1.88 0.00 0.00 0.00 179.25 180.89 1vet h TYR 56 N 0.44 0.00 0.21 0.00 -1.99 -1.34 -3.34 116.97 110.94 1vet h TYR 56 Ca 0.12 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.56 1vet h TYR 56 Cb 0.03 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.80 1vet h TYR 56 CO -0.03 0.12 -1.25 0.22 -0.00 0.00 0.00 178.16 177.21 1vet h ASP 57 N 0.00 0.74 -0.96 3.88 3.58 -0.66 -0.67 116.42 122.33 1vet h ASP 57 Ca -0.01 -0.92 0.10 0.00 0.42 0.00 0.00 57.03 56.63 1vet h ASP 57 Cb 1.10 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 1vet h ASP 57 CO 0.01 1.61 0.62 0.03 -2.88 0.00 0.00 179.24 178.63 1vet h ARG 58 N -0.00 0.95 0.00 0.28 -0.00 -1.45 -0.80 114.38 113.35 1vet h ARG 58 Ca -0.22 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.16 1vet h ARG 58 Cb 1.99 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 31.73 1vet h ARG 58 CO 0.24 0.63 -1.67 0.09 0.00 0.00 0.00 179.97 179.26 1vet n ASN 59 N -4.56 0.35 -0.10 7.04 4.13 -1.25 -3.89 115.26 116.97 1vet n ASN 59 Ca 0.17 0.14 0.15 0.00 1.68 0.00 0.00 54.58 56.72 1vet n ASN 59 Cb 0.32 1.27 0.75 0.00 -1.54 0.00 0.00 39.78 40.58 1vet n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vet n GLY 60 N 1.29 -0.90 3.34 7.41 0.00 -0.26 -4.63 105.19 111.44 1vet n GLY 60 Ca -0.06 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1vet n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vet s ASN 61 N -2.25 6.00 -0.86 1.61 6.03 -0.35 -3.64 114.94 121.48 1vet s ASN 61 Ca 0.37 -1.45 0.00 0.00 -1.03 0.00 0.00 52.86 50.76 1vet s ASN 61 Cb 0.21 -2.13 0.25 0.00 -3.03 0.00 0.00 41.25 36.55 1vet s ASN 61 CO 0.41 -0.64 0.92 0.00 -2.03 0.00 0.00 177.10 175.76 1vet n GLN 62 N 5.12 3.00 0.00 3.55 3.00 -1.25 -4.97 117.38 125.83 1vet n GLN 62 Ca -0.12 -4.56 0.00 0.00 -0.01 0.00 0.00 57.00 52.32 1vet n GLN 62 Cb 0.43 -2.39 0.00 0.00 0.00 0.00 0.00 30.24 28.28 1vet n GLN 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vet n ALA 63 N 1.64 0.00 -0.44 -1.58 0.00 -1.26 -0.12 120.51 118.76 1vet n ALA 63 Ca 0.25 0.00 0.39 0.00 0.00 0.00 0.00 53.44 54.08 1vet n ALA 63 Cb 0.37 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.55 1vet n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1vet h PHE 64 N 0.00 0.15 0.00 0.00 -5.15 -2.05 -2.55 116.94 107.34 1vet h PHE 64 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1vet h PHE 64 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 36.13 1vet h PHE 64 CO 0.00 -0.02 -0.71 0.09 -2.00 0.00 0.00 178.31 175.67 1vet n ASN 65 N -4.24 1.95 0.00 -0.68 3.02 0.83 -5.09 115.26 111.05 1vet n ASN 65 Ca 0.32 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1vet n ASN 65 Cb 1.42 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 41.70 1vet n ASN 65 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vet n GLU 66 N -1.38 0.00 -1.84 3.52 1.02 0.28 -4.80 120.64 117.44 1vet n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vet n GLU 66 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 1vet n GLU 66 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vet n ASP 67 N 2.76 -1.95 -4.83 1.62 -0.08 -1.26 -3.78 116.55 109.04 1vet n ASP 67 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1vet n ASP 67 Cb 0.00 -0.49 -0.07 0.00 2.34 0.00 0.00 41.12 42.91 1vet n ASP 67 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1vet s SER 68 N -2.95 6.90 0.05 1.67 1.04 -1.24 -4.61 113.70 114.56 1vet s SER 68 Ca 0.00 1.51 -0.37 0.00 0.48 0.00 0.00 55.95 57.57 1vet s SER 68 Cb 0.00 -2.46 -0.16 0.00 0.10 0.00 0.00 66.02 63.50 1vet s SER 68 CO 0.00 -0.25 1.45 -0.11 0.98 0.00 0.00 173.24 175.31 1vet n LEU 69 N -0.35 2.05 -0.01 2.42 0.00 -1.26 -4.92 117.00 114.93 1vet n LEU 69 Ca 0.05 1.10 -0.01 0.00 0.00 0.00 0.00 56.01 57.15 1vet n LEU 69 Cb 0.53 -1.23 -0.01 0.00 0.00 0.00 0.00 43.42 42.71 1vet n LEU 69 CO 0.40 -0.81 -0.54 0.29 0.00 0.00 0.00 177.39 176.73 1vet n LYS 70 N 3.15 3.36 -3.62 1.96 5.02 -1.26 -5.00 118.16 121.77 1vet n LYS 70 Ca 0.19 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.34 1vet n LYS 70 Cb 0.20 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 1vet n LYS 70 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1vet s PHE 71 N -2.04 -0.74 -0.05 2.13 5.36 -1.26 -4.29 117.98 117.10 1vet s PHE 71 Ca -0.01 1.76 0.04 0.00 -0.96 0.00 0.00 56.93 57.77 1vet s PHE 71 Cb 0.00 0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 42.98 1vet s PHE 71 CO 0.06 -0.37 -0.17 0.42 -1.46 0.00 0.00 175.22 173.70 1vet s ILE 72 N 0.24 1.43 -0.06 3.12 1.01 -0.47 -5.00 121.20 121.46 1vet s ILE 72 Ca -0.00 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1vet s ILE 72 Cb -0.05 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1vet s ILE 72 CO 0.01 0.41 -0.23 -0.76 0.00 0.00 0.00 174.94 174.37 1vet s LEU 73 N 0.12 2.03 -0.04 2.97 1.43 -1.26 -1.29 118.68 122.63 1vet s LEU 73 Ca -0.06 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1vet s LEU 73 Cb -0.12 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1vet s LEU 73 CO 0.03 0.20 -0.22 -0.04 0.23 0.00 0.00 176.35 176.55 1vet s MET 74 N 0.02 2.12 -0.22 1.70 -1.94 0.90 -4.95 119.30 116.94 1vet s MET 74 Ca -0.08 -0.78 -0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1vet s MET 74 Cb -0.14 -1.86 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 1vet s MET 74 CO 0.05 0.35 -0.04 0.34 -0.01 0.00 0.00 175.02 175.71 1vet s ASP 75 N -0.17 4.34 0.30 3.03 2.15 -1.26 -1.01 116.67 124.04 1vet s ASP 75 Ca -0.01 -0.38 0.07 0.00 0.43 0.00 0.00 52.55 52.66 1vet s ASP 75 Cb -0.12 -1.75 -0.06 0.00 -0.30 0.00 0.00 42.92 40.70 1vet s ASP 75 CO 0.02 -0.02 -0.06 0.00 -0.17 0.00 0.00 175.17 174.94 1vet h MET 77 N 2.22 0.69 -0.20 0.00 2.86 -2.03 -2.91 114.93 115.56 1vet h MET 77 Ca -0.40 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.18 1vet h MET 77 Cb 1.24 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1vet h MET 77 CO 0.68 0.46 -0.01 0.39 1.06 0.00 0.00 176.91 179.48 1vet n GLU 78 N -4.80 2.41 0.00 1.72 1.02 -1.26 -4.90 120.64 114.83 1vet n GLU 78 Ca 0.15 -2.82 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 1vet n GLU 78 Cb 0.36 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1vet n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vet n GLY 79 N -0.80 1.75 3.37 0.62 0.00 -1.10 -4.38 105.19 104.65 1vet n GLY 79 Ca 0.21 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1vet n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vet s ARG 80 N -2.00 1.46 -0.00 1.61 0.52 0.28 -1.20 118.95 119.62 1vet s ARG 80 Ca 0.00 -1.27 0.04 0.00 -0.52 0.00 0.00 55.73 53.98 1vet s ARG 80 Cb 0.00 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1vet s ARG 80 CO 0.00 0.45 -0.12 0.08 0.02 0.00 0.00 175.30 175.73 1vet s VAL 81 N -1.01 0.97 -0.03 3.52 1.01 -0.18 -0.64 120.40 124.05 1vet s VAL 81 Ca 0.13 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1vet s VAL 81 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1vet s VAL 81 CO 0.05 0.21 -0.24 0.00 0.00 0.00 0.00 175.10 175.12 1vet s ALA 82 N -0.40 2.06 -0.03 5.51 0.00 -0.31 -0.07 121.76 128.53 1vet s ALA 82 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1vet s ALA 82 Cb -0.05 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1vet s ALA 82 CO -0.00 0.46 -0.02 0.42 0.00 0.00 0.00 175.76 176.62 1vet s ILE 83 N -0.39 0.31 0.34 0.00 1.01 -0.41 -1.43 121.20 120.64 1vet s ILE 83 Ca 0.04 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1vet s ILE 83 Cb -0.11 -0.37 0.04 0.00 0.01 0.00 0.00 42.46 42.03 1vet s ILE 83 CO 0.01 0.17 0.76 0.28 0.00 0.00 0.00 174.94 176.16 1vet s THR 84 N 0.87 0.00 0.37 2.92 -1.32 -0.75 -1.37 115.64 116.37 1vet s THR 84 Ca -0.10 -1.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.24 1vet s THR 84 Cb -0.13 -2.52 -0.08 0.00 -1.51 0.00 0.00 72.50 68.26 1vet s THR 84 CO -0.01 0.00 0.79 -0.13 -2.21 0.00 0.00 174.62 173.06 1vet s ARG 85 N -2.97 3.95 -0.24 7.08 0.52 -1.26 -0.61 118.95 125.42 1vet s ARG 85 Ca 0.14 0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1vet s ARG 85 Cb -0.05 -2.37 0.12 0.00 0.52 0.00 0.00 34.95 33.16 1vet s ARG 85 CO 0.10 0.05 0.28 0.08 0.02 0.00 0.00 175.30 175.83 1vet s VAL 86 N -2.17 -0.42 0.00 3.52 1.01 -0.52 -4.79 120.40 117.03 1vet s VAL 86 Ca 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1vet s VAL 86 Cb -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1vet s VAL 86 CO 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1vet n ALA 87 N 5.33 0.00 0.57 5.51 0.00 -1.26 -0.36 120.51 130.30 1vet n ALA 87 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1vet n ALA 87 Cb 0.49 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 1vet n ALA 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vet n ASN 88 N 7.45 3.12 -3.42 0.00 3.02 -1.26 -4.97 115.26 119.21 1vet n ASN 88 Ca 0.00 -1.94 -0.11 0.00 -0.03 0.00 0.00 54.58 52.50 1vet n ASN 88 Cb 0.00 -0.13 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1vet n ASN 88 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vet n LEU 89 N 1.32 0.00 -4.15 3.41 4.77 0.52 -4.59 117.00 118.28 1vet n LEU 89 Ca 0.16 -1.29 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 1vet n LEU 89 Cb 0.57 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.36 1vet n LEU 89 CO 0.14 -0.54 -0.50 -0.76 -1.33 0.00 0.00 177.39 174.41 1vet s LEU 90 N 0.00 1.98 -0.07 2.23 1.43 -0.03 -1.44 118.68 122.78 1vet s LEU 90 Ca 0.25 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1vet s LEU 90 Cb -0.02 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1vet s LEU 90 CO 0.16 0.19 -0.10 -0.22 0.23 0.00 0.00 176.35 176.61 1vet s LEU 91 N -0.24 3.00 -0.04 1.79 2.96 0.22 -1.23 118.68 125.14 1vet s LEU 91 Ca 0.03 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1vet s LEU 91 Cb -0.08 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1vet s LEU 91 CO 0.00 0.34 -0.09 0.00 -1.32 0.00 0.00 176.35 175.28 1vet s MET 93 N 0.48 1.28 -0.09 0.00 -1.94 -0.51 -0.12 119.30 118.39 1vet s MET 93 Ca -0.08 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.44 1vet s MET 93 Cb -0.12 -1.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 1vet s MET 93 CO 0.01 0.18 0.01 0.71 -0.01 0.00 0.00 175.02 175.92 1vet s TYR 94 N 0.10 3.18 0.10 -0.03 4.12 -0.21 -1.17 117.35 123.45 1vet s TYR 94 Ca -0.03 0.20 -0.04 0.00 0.02 0.00 0.00 57.07 57.23 1vet s TYR 94 Cb -0.09 -1.80 -0.03 0.00 -1.52 0.00 0.00 41.96 38.51 1vet s TYR 94 CO 0.01 0.47 0.09 0.00 0.02 0.00 0.00 175.55 176.14 1vet s ALA 95 N -0.85 0.42 0.54 3.71 0.00 0.19 -0.64 121.76 125.14 1vet s ALA 95 Ca 0.13 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1vet s ALA 95 Cb -0.11 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.56 1vet s ALA 95 CO 0.02 -0.48 1.13 0.15 0.00 0.00 0.00 175.76 176.58 1vet s LYS 96 N -3.96 3.35 0.00 0.00 1.02 -0.38 -0.56 119.74 119.22 1vet s LYS 96 Ca 0.14 1.62 0.03 0.00 0.02 0.00 0.00 55.97 57.79 1vet s LYS 96 Cb 0.06 -2.01 0.14 0.00 -0.52 0.00 0.00 37.83 35.50 1vet s LYS 96 CO -0.04 -0.85 1.09 -0.85 -0.92 0.00 0.00 175.35 173.77 1vet n GLU 97 N -1.29 0.00 0.13 1.68 0.00 -1.26 -1.41 120.64 118.50 1vet n GLU 97 Ca 0.12 0.43 0.13 0.00 0.00 0.00 0.00 57.16 57.83 1vet n GLU 97 Cb 0.51 -1.50 0.31 0.00 0.00 0.00 0.00 31.44 30.75 1vet n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vet h THR 98 N 0.00 0.00 -3.27 3.84 1.03 -1.96 -3.45 112.91 109.10 1vet h THR 98 Ca 0.00 -0.64 -0.54 0.00 -0.01 0.00 0.00 66.41 65.22 1vet h THR 98 Cb 0.05 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.71 1vet h THR 98 CO 0.00 0.00 0.49 -0.69 -0.01 0.00 0.00 175.52 175.31 1vet s VAL 99 N -3.15 4.41 0.49 0.00 1.01 -0.50 -5.00 120.40 117.66 1vet s VAL 99 Ca 0.09 1.73 -0.23 0.00 0.00 0.00 0.00 61.98 63.57 1vet s VAL 99 Cb 0.10 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1vet s VAL 99 CO 0.63 0.12 1.29 -0.83 0.00 0.00 0.00 175.10 176.31 1vet s GLY 100 N 1.07 2.86 0.22 4.51 0.00 -1.26 -4.83 107.32 109.89 1vet s GLY 100 Ca 0.55 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 46.39 1vet s GLY 100 CO 0.28 1.70 1.82 0.74 0.00 0.00 0.00 173.10 177.64 1vet h PHE 101 N 1.93 0.79 -0.52 1.90 0.05 -1.95 -0.52 116.94 118.62 1vet h PHE 101 Ca -0.50 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.34 1vet h PHE 101 Cb 1.27 -0.24 -0.04 0.00 2.00 0.00 0.00 35.95 38.94 1vet h PHE 101 CO 0.50 0.37 0.30 0.78 -0.18 0.00 0.00 178.31 180.09 1vet h GLY 102 N 0.78 0.73 1.09 -1.45 0.00 -2.00 -1.24 103.07 100.99 1vet h GLY 102 Ca 0.33 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1vet h GLY 102 CO -0.19 0.19 -0.18 1.98 0.00 0.00 0.00 176.54 178.34 1vet h MET 103 N 0.60 0.99 -0.14 4.80 1.85 -1.76 -0.98 114.93 120.30 1vet h MET 103 Ca 0.21 -0.41 -0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1vet h MET 103 Cb 0.04 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1vet h MET 103 CO -0.10 1.08 0.08 1.25 -0.40 0.00 0.00 176.91 178.82 1vet h LEU 104 N 0.85 0.18 -0.26 3.39 5.85 -0.92 0.47 115.31 124.87 1vet h LEU 104 Ca 0.12 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1vet h LEU 104 Cb 0.75 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1vet h LEU 104 CO 0.06 0.21 0.06 0.50 -0.34 0.00 0.00 178.44 178.93 1vet h LYS 105 N 0.13 0.15 -0.23 1.25 3.64 -1.10 -1.11 116.57 119.31 1vet h LYS 105 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1vet h LYS 105 Cb 0.07 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1vet h LYS 105 CO -0.01 0.10 0.07 0.00 -2.27 0.00 0.00 179.45 177.35 1vet h ALA 106 N 1.18 0.25 -0.79 5.00 0.00 -0.91 0.21 119.26 124.21 1vet h ALA 106 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1vet h ALA 106 Cb 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1vet h ALA 106 CO -0.15 -0.34 0.48 0.87 0.00 0.00 0.00 179.25 180.10 1vet h LYS 107 N 0.18 1.08 -0.68 0.00 1.57 -0.65 -1.63 116.57 116.44 1vet h LYS 107 Ca 0.10 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1vet h LYS 107 Cb 0.07 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1vet h LYS 107 CO -0.11 0.76 0.12 0.00 -0.57 0.00 0.00 179.45 179.65 1vet h ALA 108 N 1.26 0.92 -0.06 3.86 0.00 -0.66 -2.73 119.26 121.85 1vet h ALA 108 Ca 0.28 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1vet h ALA 108 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1vet h ALA 108 CO -0.05 0.67 -0.46 1.96 0.00 0.00 0.00 179.25 181.36 1vet h GLN 109 N 1.05 0.14 -0.53 0.00 4.20 -0.65 -1.88 115.11 117.45 1vet h GLN 109 Ca 0.21 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1vet h GLN 109 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1vet h GLN 109 CO 0.01 0.58 0.21 0.00 -0.67 0.00 0.00 178.83 178.96 1vet h ALA 110 N 1.41 0.68 -0.28 3.87 0.00 -1.17 -1.55 119.26 122.23 1vet h ALA 110 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1vet h ALA 110 Cb 0.87 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1vet h ALA 110 CO 0.07 0.30 -0.03 1.25 0.00 0.00 0.00 179.25 180.84 1vet h LEU 111 N 0.71 0.51 -0.35 0.00 5.85 -1.30 -2.18 115.31 118.54 1vet h LEU 111 Ca 0.18 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1vet h LEU 111 Cb 0.20 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 1vet h LEU 111 CO -0.01 0.72 -0.12 0.58 -0.34 0.00 0.00 178.44 179.27 1vet h VAL 112 N 0.28 0.57 -0.21 1.05 2.07 -1.18 0.28 116.25 119.12 1vet h VAL 112 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1vet h VAL 112 Cb 0.48 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1vet h VAL 112 CO 0.02 0.00 0.01 -0.61 0.02 0.00 0.00 177.57 177.01 1vet h GLN 113 N -0.05 0.30 0.05 1.57 4.15 -1.19 -0.72 115.11 119.22 1vet h GLN 113 Ca 0.17 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.29 1vet h GLN 113 Cb 0.32 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 27.98 1vet h GLN 113 CO -0.39 0.32 -1.06 -0.92 -1.93 0.00 0.00 178.83 174.85 1vet h TYR 114 N 0.29 0.97 0.00 3.99 3.20 -0.71 -2.60 116.97 122.11 1vet h TYR 114 Ca 0.07 -0.56 -0.02 0.00 3.14 0.00 0.00 58.73 61.35 1vet h TYR 114 Cb 0.19 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1vet h TYR 114 CO 0.00 1.40 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.75 1vet h LEU 115 N 0.26 0.00 0.00 2.82 3.38 -0.61 -3.10 115.31 118.06 1vet h LEU 115 Ca -0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1vet h LEU 115 Cb 1.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1vet h LEU 115 CO 0.21 0.11 -1.52 -0.62 0.09 0.00 0.00 178.44 176.70 1vet n GLU 116 N -3.22 0.63 -0.02 1.13 1.02 -0.31 -4.50 120.64 115.38 1vet n GLU 116 Ca 0.01 0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1vet n GLU 116 Cb 0.39 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 1vet n GLU 116 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1vet h GLU 117 N 0.00 0.10 0.00 3.49 5.08 -1.38 -3.51 114.58 118.36 1vet h GLU 117 Ca -0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1vet h GLU 117 Cb 1.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1vet h GLU 117 CO 0.02 0.40 0.00 -2.30 -1.00 0.00 0.00 179.01 176.13