#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg s ARG 12 N 0.00 2.37 -0.11 1.97 3.52 -1.26 -5.11 118.95 120.32 2wdg s ARG 12 Ca 0.00 -0.07 -0.16 0.00 -0.13 0.00 0.00 55.73 55.37 2wdg s ARG 12 Cb 0.00 -2.14 0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2wdg s ARG 12 CO 0.00 -1.17 0.41 -0.65 -0.81 0.00 0.00 175.30 173.08 2wdg s GLN 13 N -5.26 0.59 0.04 5.12 -0.21 -1.26 -5.03 119.66 113.65 2wdg s GLN 13 Ca 0.59 0.35 0.06 0.00 0.02 0.00 0.00 55.36 56.37 2wdg s GLN 13 Cb -0.11 0.28 -0.02 0.00 1.00 0.00 0.00 33.01 34.16 2wdg s GLN 13 CO 0.46 -0.11 -0.16 0.14 -2.12 0.00 0.00 175.29 173.50 2wdg s VAL 14 N -0.32 1.27 -0.04 1.09 -7.23 -1.20 -5.03 120.40 108.95 2wdg s VAL 14 Ca -0.05 -1.09 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2wdg s VAL 14 Cb -0.03 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.76 2wdg s VAL 14 CO 0.02 0.04 -0.01 0.00 -0.31 0.00 0.00 175.10 174.84 2wdg h ALA 15 N 4.84 0.00 -2.15 1.32 0.00 -1.87 -3.23 119.26 118.18 2wdg h ALA 15 Ca -0.40 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 2wdg h ALA 15 Cb 1.18 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2wdg h ALA 15 CO 0.43 0.02 0.76 0.45 0.00 0.00 0.00 179.25 180.92 2wdg s SER 16 N -3.92 7.10 0.00 0.00 0.15 -1.26 0.27 113.70 116.04 2wdg s SER 16 Ca -0.01 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2wdg s SER 16 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2wdg s SER 16 CO 0.01 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2wdg n GLY 17 N 3.32 7.41 3.28 9.45 0.00 0.21 -4.19 105.19 124.67 2wdg n GLY 17 Ca 0.12 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2wdg n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdg s ARG 18 N 1.04 0.38 -0.10 1.61 3.52 -1.24 -2.71 118.95 121.45 2wdg s ARG 18 Ca 0.00 0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 56.42 2wdg s ARG 18 Cb 0.00 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 2wdg s ARG 18 CO 0.00 -0.18 0.09 0.00 -0.81 0.00 0.00 175.30 174.39 2wdg s ALA 19 N 1.71 3.64 -0.12 6.12 0.00 0.32 -0.21 121.76 133.22 2wdg s ALA 19 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2wdg s ALA 19 Cb -0.09 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.29 2wdg s ALA 19 CO -0.13 0.62 -0.14 0.71 0.00 0.00 0.00 175.76 176.82 2wdg s TYR 20 N -1.00 1.96 -0.18 0.00 1.51 0.24 -0.78 117.35 119.11 2wdg s TYR 20 Ca 0.15 -0.99 -0.02 0.00 -1.01 0.00 0.00 57.07 55.21 2wdg s TYR 20 Cb -0.12 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 2wdg s TYR 20 CO 0.05 -0.54 -0.10 0.42 -1.11 0.00 0.00 175.55 174.27 2wdg s ILE 21 N 1.22 3.06 -0.46 2.71 1.09 -0.16 0.46 121.20 129.13 2wdg s ILE 21 Ca -0.02 -0.62 -0.11 0.00 -1.10 0.00 0.00 60.65 58.80 2wdg s ILE 21 Cb -0.14 -2.34 0.10 0.00 -1.06 0.00 0.00 42.46 39.02 2wdg s ILE 21 CO -0.05 0.48 0.33 -2.28 -0.10 0.00 0.00 174.94 173.32 2wdg s HIS 22 N 0.98 3.35 -0.59 3.97 2.46 0.19 -1.62 115.29 124.03 2wdg s HIS 22 Ca -0.01 -1.54 -0.28 0.00 0.47 0.00 0.00 55.06 53.70 2wdg s HIS 22 Cb -0.15 -3.25 0.02 0.00 -0.13 0.00 0.00 32.58 29.08 2wdg s HIS 22 CO -0.01 -0.91 1.29 0.00 -2.47 0.00 0.00 174.74 172.65 2wdg s ALA 23 N 1.45 2.89 0.00 1.58 0.00 0.15 -2.87 121.76 124.96 2wdg s ALA 23 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2wdg s ALA 23 Cb -0.25 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2wdg s ALA 23 CO 0.02 -2.85 0.00 0.45 0.00 0.00 0.00 175.76 173.38 2wdg n SER 24 N 9.01 0.32 0.00 0.00 2.88 -1.22 -3.99 113.62 120.62 2wdg n SER 24 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2wdg n SER 24 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2wdg n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2wdg n TYR 25 N 0.00 0.00 -0.27 0.66 4.02 -1.26 -4.08 117.16 116.23 2wdg n TYR 25 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 2wdg n TYR 25 Cb 0.00 0.04 0.31 0.00 -0.02 0.00 0.00 39.34 39.67 2wdg n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wdg n ASN 26 N -2.28 4.00 0.00 7.72 3.02 -1.26 -4.36 115.26 122.10 2wdg n ASN 26 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 2wdg n ASN 26 Cb 0.31 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 2wdg n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wdg n ASN 27 N 1.23 0.00 -3.94 6.41 5.15 -1.25 -3.99 115.26 118.87 2wdg n ASN 27 Ca 0.23 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.08 2wdg n ASN 27 Cb 0.70 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.82 2wdg n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wdg s THR 28 N -2.00 0.24 -0.02 -0.44 2.01 -1.16 -3.45 115.64 110.82 2wdg s THR 28 Ca 0.00 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2wdg s THR 28 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.27 2wdg s THR 28 CO 0.00 -0.06 -0.04 -0.51 -0.69 0.00 0.00 174.62 173.32 2wdg s ILE 29 N -0.39 0.38 -0.08 1.82 1.10 -1.14 -0.70 121.20 122.19 2wdg s ILE 29 Ca -0.02 -0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.05 2wdg s ILE 29 Cb -0.03 -0.38 -0.00 0.00 0.15 0.00 0.00 42.46 42.19 2wdg s ILE 29 CO -0.00 0.15 -0.22 0.68 -2.11 0.00 0.00 174.94 173.44 2wdg s VAL 30 N 0.49 1.87 -0.07 4.00 -7.23 0.25 0.52 120.40 120.23 2wdg s VAL 30 Ca -0.06 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 2wdg s VAL 30 Cb -0.09 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2wdg s VAL 30 CO -0.00 0.52 -0.06 0.28 -0.31 0.00 0.00 175.10 175.53 2wdg s THR 31 N 0.22 0.74 -0.26 5.32 -1.32 0.17 0.35 115.64 120.87 2wdg s THR 31 Ca -0.13 -0.18 -0.08 0.00 -1.21 0.00 0.00 61.69 60.09 2wdg s THR 31 Cb -0.16 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2wdg s THR 31 CO 0.06 0.29 0.11 0.27 -2.21 0.00 0.00 174.62 173.14 2wdg s ILE 32 N 1.32 4.63 0.00 5.08 -4.36 0.07 -0.59 121.20 127.34 2wdg s ILE 32 Ca -0.04 -0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 2wdg s ILE 32 Cb -0.14 -3.18 0.00 0.00 1.25 0.00 0.00 42.46 40.40 2wdg s ILE 32 CO -0.03 0.31 0.00 0.35 0.24 0.00 0.00 174.94 175.81 2wdg n THR 33 N 4.97 0.00 -3.43 8.37 -2.24 0.71 -0.73 114.28 121.92 2wdg n THR 33 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2wdg n THR 33 Cb 0.52 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2wdg n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wdg n ASP 34 N 0.00 1.47 -0.29 3.42 3.85 -1.22 -3.72 116.55 120.05 2wdg n ASP 34 Ca 0.00 -0.43 -0.04 0.00 -0.71 0.00 0.00 54.79 53.61 2wdg n ASP 34 Cb 0.00 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 39.88 2wdg n ASP 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 2wdg h PRO 35 N 0.00 1.18 0.28 0.11 0.11 -1.88 -3.15 132.00 128.65 2wdg h PRO 35 Ca 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2wdg h PRO 35 Cb 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.89 2wdg h PRO 35 CO 0.00 0.90 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.11 2wdg h ASP 36 N 1.17 -0.31 0.00 -2.05 3.45 -1.96 -3.48 116.42 113.24 2wdg h ASP 36 Ca 0.29 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2wdg h ASP 36 Cb 0.10 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2wdg h ASP 36 CO -0.04 0.03 0.00 0.61 -1.57 0.00 0.00 179.24 178.27 2wdg n GLY 37 N -0.39 0.28 3.46 2.75 0.00 -1.19 -5.13 105.19 104.97 2wdg n GLY 37 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2wdg n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdg s ASN 38 N -0.28 6.07 0.02 1.61 0.02 -1.26 -4.74 114.94 116.38 2wdg s ASN 38 Ca 0.00 -0.88 -0.17 0.00 -1.02 0.00 0.00 52.86 50.79 2wdg s ASN 38 Cb 0.00 -2.14 -0.09 0.00 0.02 0.00 0.00 41.25 39.04 2wdg s ASN 38 CO 0.00 -0.43 0.44 -2.65 0.02 0.00 0.00 177.10 174.48 2wdg n PRO 39 N 5.14 0.00 -0.07 -0.60 -0.02 -1.26 -3.44 135.00 134.75 2wdg n PRO 39 Ca -0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.25 2wdg n PRO 39 Cb 0.47 -0.64 -0.05 0.00 -0.02 0.00 0.00 33.50 33.26 2wdg n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdg n ILE 40 N 0.54 0.74 -3.54 4.25 2.08 0.09 -4.91 119.36 118.61 2wdg n ILE 40 Ca 0.09 -0.23 -0.10 0.00 0.56 0.00 0.00 62.75 63.07 2wdg n ILE 40 Cb 0.05 -1.35 -0.04 0.00 -0.75 0.00 0.00 39.64 37.56 2wdg n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2wdg s THR 41 N -2.25 0.00 0.20 1.39 2.01 -1.14 -5.04 115.64 110.79 2wdg s THR 41 Ca -0.18 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 2wdg s THR 41 Cb 0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 2wdg s THR 41 CO 0.26 0.00 0.14 -1.66 -0.69 0.00 0.00 174.62 172.68 2wdg s TRP 42 N -2.07 1.09 -0.14 4.92 1.48 -1.26 -0.75 118.94 122.21 2wdg s TRP 42 Ca 0.01 -1.33 -0.29 0.00 -1.06 0.00 0.00 56.10 53.43 2wdg s TRP 42 Cb -0.01 -0.51 0.08 0.00 -1.16 0.00 0.00 33.47 31.87 2wdg s TRP 42 CO -0.03 -0.65 0.73 0.45 -4.06 0.00 0.00 176.95 173.39 2wdg s SER 43 N -3.14 -0.66 0.20 -2.66 0.15 0.16 -4.79 113.70 102.95 2wdg s SER 43 Ca 0.37 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2wdg s SER 43 Cb 0.07 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 2wdg s SER 43 CO 0.11 -0.45 0.09 -0.94 1.20 0.00 0.00 173.24 173.24 2wdg s SER 44 N -0.60 0.69 0.62 5.45 1.04 -1.26 0.87 113.70 120.51 2wdg s SER 44 Ca -0.06 -1.32 0.31 0.00 0.48 0.00 0.00 55.95 55.36 2wdg s SER 44 Cb -0.02 0.25 1.72 0.00 0.10 0.00 0.00 66.02 68.07 2wdg s SER 44 CO 0.06 -0.74 2.06 1.23 0.98 0.00 0.00 173.24 176.83 2wdg h GLY 45 N 2.60 0.00 1.48 7.32 0.00 -1.17 0.15 103.07 113.44 2wdg h GLY 45 Ca -0.37 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.68 2wdg h GLY 45 CO 0.58 0.00 -1.24 -1.33 0.00 0.00 0.00 176.54 174.56 2wdg h GLY 46 N 0.00 0.47 1.96 4.60 0.00 -1.84 -3.24 103.07 105.03 2wdg h GLY 46 Ca 0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 2wdg h GLY 46 CO -0.00 0.94 -0.03 -2.08 0.00 0.00 0.00 176.54 175.37 2wdg h VAL 47 N 0.15 1.04 -3.22 4.60 2.07 -0.96 -3.38 116.25 116.56 2wdg h VAL 47 Ca -0.16 -0.18 -0.29 0.00 0.82 0.00 0.00 66.70 66.89 2wdg h VAL 47 Cb 1.93 1.05 0.12 0.00 -1.52 0.00 0.00 31.29 32.87 2wdg h VAL 47 CO 0.22 0.06 0.28 -0.38 0.02 0.00 0.00 177.57 177.76 2wdg n ILE 48 N -4.48 0.00 -1.43 4.57 2.08 -1.01 -4.88 119.36 114.21 2wdg n ILE 48 Ca -0.02 -0.65 -0.39 0.00 0.56 0.00 0.00 62.75 62.25 2wdg n ILE 48 Cb 0.13 -1.66 -0.02 0.00 -0.75 0.00 0.00 39.64 37.34 2wdg n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wdg n GLY 49 N -0.84 4.19 3.45 7.39 0.00 -1.26 -4.83 105.19 113.29 2wdg n GLY 49 Ca 0.11 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 2wdg n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdg s TYR 50 N 2.73 -0.55 0.11 1.61 4.12 -1.23 -5.10 117.35 119.04 2wdg s TYR 50 Ca 0.59 0.89 -0.25 0.00 0.02 0.00 0.00 57.07 58.32 2wdg s TYR 50 Cb 0.16 0.35 0.07 0.00 -1.52 0.00 0.00 41.96 41.02 2wdg s TYR 50 CO -0.06 -0.58 0.78 -1.59 0.02 0.00 0.00 175.55 174.12 2wdg s LYS 51 N -1.40 1.16 4.03 -0.62 0.00 -1.26 -3.73 119.74 117.92 2wdg s LYS 51 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 55.97 55.36 2wdg s LYS 51 Cb -0.01 0.48 0.00 0.00 0.00 0.00 0.00 37.83 38.30 2wdg s LYS 51 CO 0.07 -0.52 0.00 0.41 0.00 0.00 0.00 175.35 175.32 2wdg n GLY 52 N -0.35 0.97 0.08 0.59 0.00 -1.26 -3.73 105.19 101.48 2wdg n GLY 52 Ca -0.11 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2wdg n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wdg n SER 53 N 4.63 0.55 0.00 1.61 3.41 -1.26 -3.87 113.62 118.68 2wdg n SER 53 Ca 0.00 0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 2wdg n SER 53 Cb 0.00 0.79 0.29 0.00 -0.26 0.00 0.00 64.21 65.03 2wdg n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wdg n ARG 54 N -2.66 0.38 0.15 4.33 1.74 -1.24 -1.80 116.66 117.56 2wdg n ARG 54 Ca -0.08 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 2wdg n ARG 54 Cb 0.72 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2wdg n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdg h LYS 55 N 0.00 0.00 -0.00 5.56 1.57 -1.78 -3.15 116.57 118.77 2wdg h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdg h LYS 55 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wdg h LYS 55 CO 0.00 0.00 -0.14 0.41 -0.57 0.00 0.00 179.45 179.15 2wdg n GLY 56 N 1.15 -1.39 3.70 3.86 0.00 -0.75 -2.98 105.19 108.79 2wdg n GLY 56 Ca 0.02 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2wdg n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdg n THR 57 N -1.46 1.03 0.31 2.61 -1.04 -1.19 -3.47 114.28 111.07 2wdg n THR 57 Ca 0.07 -0.26 0.19 0.00 -2.04 0.00 0.00 64.05 62.02 2wdg n THR 57 Cb 0.33 -1.69 0.96 0.00 -1.82 0.00 0.00 70.33 68.11 2wdg n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wdg h PRO 58 N 4.38 0.00 -0.00 -2.82 0.13 -1.90 -0.64 132.00 131.15 2wdg h PRO 58 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 2wdg h PRO 58 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2wdg h PRO 58 CO 0.77 0.02 -0.88 -0.92 -0.23 0.00 0.00 178.00 176.75 2wdg h TYR 59 N 0.00 0.38 0.06 1.56 3.20 -1.93 -2.48 116.97 117.75 2wdg h TYR 59 Ca -0.00 -0.20 -0.26 0.00 3.14 0.00 0.00 58.73 61.40 2wdg h TYR 59 Cb 0.23 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.48 2wdg h TYR 59 CO 0.00 1.01 -1.07 0.00 -1.64 0.00 0.00 178.16 176.46 2wdg h ALA 60 N 0.92 0.05 0.00 1.82 0.00 -1.57 0.33 119.26 120.81 2wdg h ALA 60 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2wdg h ALA 60 Cb 1.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2wdg h ALA 60 CO 0.14 0.63 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2wdg n ALA 61 N -2.66 1.39 -0.10 0.00 0.00 -0.35 -0.58 120.51 118.21 2wdg n ALA 61 Ca -0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.13 2wdg n ALA 61 Cb 0.90 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.10 2wdg n ALA 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdg n GLN 62 N -1.60 0.48 0.00 0.00 7.27 -0.94 -3.53 117.38 119.07 2wdg n GLN 62 Ca 0.02 0.16 0.04 0.00 0.07 0.00 0.00 57.00 57.29 2wdg n GLN 62 Cb 0.10 -1.34 0.20 0.00 2.41 0.00 0.00 30.24 31.62 2wdg n GLN 62 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2wdg n LEU 63 N -3.50 0.00 -0.09 1.69 0.00 0.11 -2.40 117.00 112.82 2wdg n LEU 63 Ca -0.39 0.37 -0.12 0.00 0.00 0.00 0.00 56.01 55.87 2wdg n LEU 63 Cb 0.84 -0.37 -0.05 0.00 0.00 0.00 0.00 43.42 43.85 2wdg n LEU 63 CO 0.12 -0.26 -0.61 0.00 0.00 0.00 0.00 177.39 176.63 2wdg n ALA 64 N -1.37 0.72 -0.27 1.96 0.00 0.26 -3.70 120.51 118.11 2wdg n ALA 64 Ca 0.03 -0.63 0.33 0.00 0.00 0.00 0.00 53.44 53.17 2wdg n ALA 64 Cb 0.08 -0.06 0.74 0.00 0.00 0.00 0.00 19.45 20.22 2wdg n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ALA 65 N -0.92 3.03 -0.02 0.00 0.00 -1.54 0.35 119.26 120.15 2wdg h ALA 65 Ca -0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wdg h ALA 65 Cb 0.92 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 65 CO -0.09 -1.36 -0.03 -0.07 0.00 0.00 0.00 179.25 177.70 2wdg h LEU 66 N 0.00 0.07 -0.69 0.00 3.38 -1.65 0.94 115.31 117.35 2wdg h LEU 66 Ca 0.52 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2wdg h LEU 66 Cb 2.11 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.77 2wdg h LEU 66 CO -0.01 0.59 0.37 -0.78 0.09 0.00 0.00 178.44 178.71 2wdg h ASP 67 N -0.45 0.53 0.20 -0.43 -0.00 -0.49 0.57 116.42 116.35 2wdg h ASP 67 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.07 2wdg h ASP 67 Cb 0.57 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 39.84 2wdg h ASP 67 CO 0.01 0.33 -0.12 0.00 -0.00 0.00 0.00 179.24 179.46 2wdg h ALA 68 N 1.38 -0.29 0.13 -0.78 0.00 -0.93 -1.42 119.26 117.34 2wdg h ALA 68 Ca 0.32 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wdg h ALA 68 Cb 0.26 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2wdg h ALA 68 CO -0.22 -0.67 -0.41 0.00 0.00 0.00 0.00 179.25 177.95 2wdg h ALA 69 N 0.49 -0.92 -0.16 0.00 0.00 0.53 -0.87 119.26 118.33 2wdg h ALA 69 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2wdg h ALA 69 Cb 0.25 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 69 CO 0.02 -1.02 -0.32 -0.22 0.00 0.00 0.00 179.25 177.71 2wdg h LYS 70 N -0.61 -0.28 -1.06 0.00 3.64 0.15 -0.23 116.57 118.17 2wdg h LYS 70 Ca -0.01 0.02 0.29 0.00 -1.27 0.00 0.00 60.65 59.68 2wdg h LYS 70 Cb 0.61 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.38 2wdg h LYS 70 CO -0.21 -0.19 0.66 0.87 -2.27 0.00 0.00 179.45 178.32 2wdg h LYS 71 N -0.29 0.39 -0.29 1.90 1.57 -1.18 0.12 116.57 118.78 2wdg h LYS 71 Ca 0.03 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 2wdg h LYS 71 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2wdg h LYS 71 CO -0.30 0.26 -0.34 0.00 -0.57 0.00 0.00 179.45 178.50 2wdg h ALA 72 N 1.67 0.86 0.00 3.86 0.00 0.38 -3.13 119.26 122.90 2wdg h ALA 72 Ca 0.65 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2wdg h ALA 72 Cb 1.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2wdg h ALA 72 CO -0.39 0.63 -0.42 0.52 0.00 0.00 0.00 179.25 179.60 2wdg h MET 73 N 0.55 0.00 0.00 0.00 2.86 0.74 -1.82 114.93 117.26 2wdg h MET 73 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2wdg h MET 73 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2wdg h MET 73 CO 0.07 0.42 0.00 0.00 1.06 0.00 0.00 176.91 178.46 2wdg n ALA 74 N -2.36 1.82 0.28 6.32 0.00 -1.03 0.17 120.51 125.71 2wdg n ALA 74 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2wdg n ALA 74 Cb 0.49 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.84 2wdg n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdg n TYR 75 N -1.17 0.20 -1.28 0.00 4.02 -0.70 -4.97 117.16 113.26 2wdg n TYR 75 Ca 0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 2wdg n TYR 75 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 2wdg n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdg n GLY 76 N 0.75 0.63 3.75 2.72 0.00 0.13 -3.24 105.19 109.92 2wdg n GLY 76 Ca 0.10 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2wdg n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wdg s MET 77 N -2.68 4.41 0.00 1.61 0.00 -1.10 -3.82 119.30 117.72 2wdg s MET 77 Ca 0.00 2.07 0.00 0.00 0.00 0.00 0.00 55.69 57.76 2wdg s MET 77 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 34.83 31.67 2wdg s MET 77 CO 0.00 -0.18 0.00 1.04 0.00 0.00 0.00 175.02 175.88 2wdg n GLN 78 N 1.98 0.00 -3.99 4.11 1.13 0.14 -4.66 117.38 116.09 2wdg n GLN 78 Ca 0.04 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.79 2wdg n GLN 78 Cb 0.43 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.72 2wdg n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2wdg s SER 79 N -4.17 5.92 -0.13 1.08 1.04 -1.18 -1.74 113.70 114.51 2wdg s SER 79 Ca 0.00 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.51 2wdg s SER 79 Cb 0.00 -1.71 0.06 0.00 0.10 0.00 0.00 66.02 64.47 2wdg s SER 79 CO 0.00 0.18 0.28 0.68 0.98 0.00 0.00 173.24 175.36 2wdg s VAL 80 N -1.43 -0.35 0.09 5.02 -7.23 -0.49 0.64 120.40 116.66 2wdg s VAL 80 Ca 0.31 0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 60.42 2wdg s VAL 80 Cb -0.13 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 2wdg s VAL 80 CO 0.24 0.10 1.02 -1.81 -0.31 0.00 0.00 175.10 174.34 2wdg s ASP 81 N 2.18 7.37 -0.00 4.85 1.11 -1.10 -2.15 116.67 128.93 2wdg s ASP 81 Ca -0.01 1.85 -0.01 0.00 0.18 0.00 0.00 52.55 54.56 2wdg s ASP 81 Cb -0.12 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 2wdg s ASP 81 CO -0.09 -0.19 0.10 -0.69 1.18 0.00 0.00 175.17 175.48 2wdg s VAL 82 N 0.31 4.85 -0.06 -1.27 1.01 -0.60 -0.52 120.40 124.12 2wdg s VAL 82 Ca 0.50 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2wdg s VAL 82 Cb -0.25 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2wdg s VAL 82 CO 0.30 0.34 0.02 -0.63 0.00 0.00 0.00 175.10 175.13 2wdg s ILE 83 N -1.22 0.25 0.02 2.22 1.01 0.04 -0.97 121.20 122.56 2wdg s ILE 83 Ca 0.24 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.10 2wdg s ILE 83 Cb -0.12 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2wdg s ILE 83 CO 0.15 0.24 0.06 0.68 0.00 0.00 0.00 174.94 176.07 2wdg s VAL 84 N 2.02 4.52 -0.09 2.92 -7.23 0.43 -0.99 120.40 121.97 2wdg s VAL 84 Ca 0.05 -0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2wdg s VAL 84 Cb -0.12 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 33.77 2wdg s VAL 84 CO -0.05 0.30 0.02 -0.13 -0.31 0.00 0.00 175.10 174.93 2wdg s ARG 85 N -1.85 0.49 0.00 4.82 0.52 -0.64 -1.15 118.95 121.13 2wdg s ARG 85 Ca 0.24 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 2wdg s ARG 85 Cb -0.12 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.19 2wdg s ARG 85 CO 0.15 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2wdg n GLY 86 N 5.16 -0.85 3.89 -3.53 0.00 -1.26 0.30 105.19 108.90 2wdg n GLY 86 Ca -0.07 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 2wdg n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdg s THR 87 N -1.98 4.54 -0.24 2.61 2.01 -1.26 -4.55 115.64 116.77 2wdg s THR 87 Ca 0.00 0.54 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 2wdg s THR 87 Cb 0.00 -3.79 0.14 0.00 0.01 0.00 0.00 72.50 68.87 2wdg s THR 87 CO 0.00 -0.93 1.13 -0.83 -0.69 0.00 0.00 174.62 173.30 2wdg s GLY 88 N -4.19 -0.08 0.24 4.40 0.00 -1.26 -3.61 107.32 102.82 2wdg s GLY 88 Ca 0.53 2.59 -0.06 0.00 0.00 0.00 0.00 44.72 47.78 2wdg s GLY 88 CO 0.50 1.45 1.89 0.00 0.00 0.00 0.00 173.10 176.94 2wdg h ALA 89 N 3.13 1.22 -0.59 3.20 0.00 -1.75 -2.55 119.26 121.92 2wdg h ALA 89 Ca -0.22 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 54.18 2wdg h ALA 89 Cb 1.18 -0.38 -0.28 0.00 0.00 0.00 0.00 17.79 18.31 2wdg h ALA 89 CO 0.21 0.66 -0.35 0.41 0.00 0.00 0.00 179.25 180.18 2wdg n GLY 90 N -1.24 5.80 0.12 0.00 0.00 -1.23 -4.30 105.19 104.34 2wdg n GLY 90 Ca 0.10 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2wdg n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdg h ARG 91 N 1.71 -0.16 0.00 1.61 1.12 -1.82 -2.87 114.38 113.98 2wdg h ARG 91 Ca 0.32 0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.10 2wdg h ARG 91 Cb 1.40 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.38 2wdg h ARG 91 CO 0.69 0.30 -0.51 1.49 -3.11 0.00 0.00 179.97 178.84 2wdg h GLU 92 N -0.75 0.00 0.00 0.20 4.57 -1.85 -3.03 114.58 113.71 2wdg h GLU 92 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2wdg h GLU 92 Cb 0.54 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2wdg h GLU 92 CO 0.03 0.51 -0.01 1.96 -1.18 0.00 0.00 179.01 180.31 2wdg h GLN 93 N 0.00 0.00 0.00 1.92 1.08 -1.88 -2.64 115.11 113.59 2wdg h GLN 93 Ca -0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2wdg h GLN 93 Cb 1.11 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2wdg h GLN 93 CO 0.07 0.01 -0.06 0.00 -0.95 0.00 0.00 178.83 177.89 2wdg h ALA 94 N 1.99 0.96 0.00 3.87 0.00 -1.37 -2.72 119.26 121.98 2wdg h ALA 94 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2wdg h ALA 94 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wdg h ALA 94 CO 0.00 0.08 -0.31 0.82 0.00 0.00 0.00 179.25 179.84 2wdg h ILE 95 N 0.00 1.18 0.00 0.00 1.08 -1.54 -3.30 117.51 114.93 2wdg h ILE 95 Ca -0.00 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 2wdg h ILE 95 Cb 0.97 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2wdg h ILE 95 CO 0.01 0.40 0.00 0.03 -0.69 0.00 0.00 178.15 177.90 2wdg h ARG 96 N -1.00 0.00 0.00 2.37 3.08 -1.55 0.16 114.38 117.44 2wdg h ARG 96 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wdg h ARG 96 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2wdg h ARG 96 CO -0.05 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.76 2wdg h ALA 97 N 2.01 0.95 0.00 0.04 0.00 -1.59 -3.20 119.26 117.48 2wdg h ALA 97 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2wdg h ALA 97 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2wdg h ALA 97 CO 0.00 0.00 -2.07 1.28 0.00 0.00 0.00 179.25 178.46 2wdg n LEU 98 N -2.98 0.58 -0.04 0.00 4.77 0.37 -4.14 117.00 115.56 2wdg n LEU 98 Ca 0.04 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2wdg n LEU 98 Cb 0.52 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.79 2wdg n LEU 98 CO 0.34 0.47 0.50 1.56 -1.33 0.00 0.00 177.39 178.94 2wdg h GLN 99 N 0.00 -0.38 -4.15 3.23 1.08 -1.00 -3.23 115.11 110.67 2wdg h GLN 99 Ca -0.43 0.03 -0.73 0.00 -1.45 0.00 0.00 58.65 56.07 2wdg h GLN 99 Cb 2.12 0.09 -0.29 0.00 -0.05 0.00 0.00 27.48 29.35 2wdg h GLN 99 CO 0.05 -0.25 -0.32 0.00 -0.95 0.00 0.00 178.83 177.36 2wdg s ALA 100 N -5.18 3.51 -0.07 3.87 0.00 -1.21 -4.61 121.76 118.06 2wdg s ALA 100 Ca -0.11 -2.71 0.03 0.00 0.00 0.00 0.00 51.96 49.17 2wdg s ALA 100 Cb 0.06 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.34 2wdg s ALA 100 CO 0.46 -1.98 0.97 -1.13 0.00 0.00 0.00 175.76 174.08 2wdg n SER 101 N 4.68 -0.93 -3.54 0.00 3.41 -1.22 -4.77 113.62 111.25 2wdg n SER 101 Ca -0.04 -1.74 -0.26 0.00 -0.26 0.00 0.00 58.87 56.57 2wdg n SER 101 Cb 0.41 0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.73 2wdg n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdg n GLY 102 N -0.34 -0.52 3.13 5.00 0.00 -1.26 -4.82 105.19 106.38 2wdg n GLY 102 Ca -0.21 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2wdg n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdg s LEU 103 N -7.03 1.01 -0.31 0.99 1.98 -1.26 -4.97 118.68 109.08 2wdg s LEU 103 Ca 0.52 0.51 -0.22 0.00 -2.89 0.00 0.00 54.13 52.04 2wdg s LEU 103 Cb -0.25 0.85 -0.00 0.00 0.66 0.00 0.00 46.19 47.45 2wdg s LEU 103 CO 0.64 -0.09 0.73 -1.58 -1.89 0.00 0.00 176.35 174.16 2wdg s GLN 104 N 0.20 3.91 -1.32 1.98 0.74 -0.71 -4.71 119.66 119.74 2wdg s GLN 104 Ca -0.01 0.44 -0.16 0.00 0.05 0.00 0.00 55.36 55.68 2wdg s GLN 104 Cb -0.02 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.36 2wdg s GLN 104 CO -0.00 -0.66 2.09 1.33 -0.55 0.00 0.00 175.29 177.50 2wdg n VAL 105 N 5.51 3.24 -0.46 1.34 0.24 -1.26 -1.40 118.33 125.55 2wdg n VAL 105 Ca 0.02 -2.95 0.42 0.00 -2.04 0.00 0.00 64.34 59.78 2wdg n VAL 105 Cb 0.48 -2.51 0.77 0.00 -1.47 0.00 0.00 33.84 31.12 2wdg n VAL 105 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2wdg h LYS 106 N 6.66 0.00 -2.32 7.34 3.64 -1.80 -3.44 116.57 126.65 2wdg h LYS 106 Ca 0.52 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 60.10 2wdg h LYS 106 Cb 0.69 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 2wdg h LYS 106 CO 1.81 0.00 0.62 0.45 -2.27 0.00 0.00 179.45 180.06 2wdg s SER 107 N -4.62 -0.05 -0.20 4.20 0.15 -1.23 -4.91 113.70 107.05 2wdg s SER 107 Ca -0.05 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 2wdg s SER 107 Cb 0.24 0.43 0.10 0.00 -1.71 0.00 0.00 66.02 65.07 2wdg s SER 107 CO 0.83 -0.83 0.39 -0.63 1.20 0.00 0.00 173.24 174.20 2wdg s ILE 108 N -2.46 -0.62 0.00 6.45 1.01 -1.26 -1.56 121.20 122.77 2wdg s ILE 108 Ca 0.19 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.01 2wdg s ILE 108 Cb -0.01 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 2wdg s ILE 108 CO 0.03 0.03 -0.14 -0.69 0.00 0.00 0.00 174.94 174.17 2wdg s VAL 109 N 2.58 1.12 -0.65 2.92 1.01 -0.14 -4.98 120.40 122.25 2wdg s VAL 109 Ca 0.02 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2wdg s VAL 109 Cb -0.13 -0.95 0.17 0.00 0.00 0.00 0.00 36.38 35.47 2wdg s VAL 109 CO -0.13 0.25 0.53 -0.62 0.00 0.00 0.00 175.10 175.14 2wdg s ASP 110 N -0.50 5.94 -1.03 3.32 2.15 -1.26 -0.43 116.67 124.86 2wdg s ASP 110 Ca 0.05 -2.51 -0.04 0.00 0.43 0.00 0.00 52.55 50.48 2wdg s ASP 110 Cb -0.06 -2.04 0.28 0.00 -0.30 0.00 0.00 42.92 40.81 2wdg s ASP 110 CO -0.00 -0.55 1.22 -0.67 -0.17 0.00 0.00 175.17 175.00 2wdg n ASP 111 N 4.10 5.64 -4.70 -0.34 4.64 -0.30 -4.96 116.55 120.63 2wdg n ASP 111 Ca 0.05 -3.27 -0.36 0.00 -1.38 0.00 0.00 54.79 49.83 2wdg n ASP 111 Cb 0.42 -1.22 -0.09 0.00 -1.04 0.00 0.00 41.12 39.20 2wdg n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2wdg s THR 112 N -2.16 5.38 -0.19 5.18 2.01 -1.25 -4.51 115.64 120.10 2wdg s THR 112 Ca 0.31 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 2wdg s THR 112 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2wdg s THR 112 CO 0.01 0.39 1.96 -2.16 -0.69 0.00 0.00 174.62 174.14 2wdg s PRO 113 N 0.70 3.51 -0.26 4.92 0.04 -1.26 -4.94 135.00 137.71 2wdg s PRO 113 Ca 0.08 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2wdg s PRO 113 Cb -0.12 -4.23 0.07 0.00 0.04 0.00 0.00 34.50 30.26 2wdg s PRO 113 CO 0.01 -1.66 -0.02 0.54 0.04 0.00 0.00 177.00 175.92 2wdg s VAL 114 N 6.63 1.52 0.58 -0.36 0.11 -1.26 -5.05 120.40 122.56 2wdg s VAL 114 Ca 0.88 -1.39 -0.20 0.00 -2.93 0.00 0.00 61.98 58.35 2wdg s VAL 114 Cb -0.31 -1.88 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 2wdg s VAL 114 CO 0.35 -0.25 1.25 -2.16 -3.33 0.00 0.00 175.10 170.96 2wdg s PRO 115 N 1.37 3.02 -0.34 1.54 0.04 -1.26 -4.89 135.00 134.48 2wdg s PRO 115 Ca -0.01 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 2wdg s PRO 115 Cb -0.19 -2.04 0.24 0.00 0.04 0.00 0.00 34.50 32.55 2wdg s PRO 115 CO -0.09 -1.20 2.01 0.72 0.04 0.00 0.00 177.00 178.47 2wdg n HIS 116 N -1.40 1.67 -1.10 0.56 8.25 -1.26 -4.69 115.22 117.25 2wdg n HIS 116 Ca 0.13 -2.03 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 2wdg n HIS 116 Cb 0.48 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.60 2wdg n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wdg n ASN 117 N 0.23 -1.47 0.00 0.41 5.03 -1.26 -5.12 115.26 113.08 2wdg n ASN 117 Ca 0.33 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2wdg n ASN 117 Cb 0.60 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.62 2wdg n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wdg n GLY 118 N -0.51 0.18 3.79 7.41 0.00 -1.26 -5.06 105.19 109.74 2wdg n GLY 118 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wdg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg s ARG 120 N -1.67 4.27 0.87 0.00 3.52 -1.26 -4.98 118.95 119.70 2wdg s ARG 120 Ca 0.41 2.30 -0.12 0.00 -0.13 0.00 0.00 55.73 58.19 2wdg s ARG 120 Cb -0.19 -3.10 0.11 0.00 -1.56 0.00 0.00 34.95 30.21 2wdg s ARG 120 CO 0.23 -0.40 1.11 -2.14 -0.81 0.00 0.00 175.30 173.30 2wdg s PRO 121 N -0.55 1.46 0.53 5.12 0.02 -1.26 -5.04 135.00 135.28 2wdg s PRO 121 Ca 0.58 0.51 -0.09 0.00 0.02 0.00 0.00 61.00 62.02 2wdg s PRO 121 Cb -0.42 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 32.38 2wdg s PRO 121 CO 0.45 -2.02 0.32 1.63 -0.33 0.00 0.00 177.00 177.04 2wdg n LYS 122 N -3.68 -2.98 -0.00 5.54 5.02 -1.26 -4.78 118.16 116.01 2wdg n LYS 122 Ca 0.07 -0.54 -0.17 0.00 -2.02 0.00 0.00 58.31 55.65 2wdg n LYS 122 Cb 0.57 -0.69 -0.14 0.00 -0.02 0.00 0.00 35.03 34.76 2wdg n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wdg h LYS 123 N 0.00 0.18 -0.84 1.97 3.64 -1.98 -3.07 116.57 116.47 2wdg h LYS 123 Ca -0.14 -0.29 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 2wdg h LYS 123 Cb 0.48 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.28 2wdg h LYS 123 CO 0.09 1.12 -0.36 1.17 -2.27 0.00 0.00 179.45 179.20 2wdg n LYS 124 N -4.34 -0.23 0.00 1.90 4.81 -1.26 0.12 118.16 119.16 2wdg n LYS 124 Ca -0.12 1.29 0.15 0.00 -0.87 0.00 0.00 58.31 58.76 2wdg n LYS 124 Cb 0.66 -1.91 0.80 0.00 0.02 0.00 0.00 35.03 34.60 2wdg n LYS 124 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2wdg n PHE 125 N -5.21 0.00 1.10 5.64 3.01 -1.25 -3.98 117.46 116.78 2wdg n PHE 125 Ca 0.07 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.55 2wdg n PHE 125 Cb 0.32 -0.06 0.05 0.00 -0.01 0.00 0.00 39.48 39.77 2wdg n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wdg n ARG 126 N -0.82 1.40 -0.01 -1.08 1.74 0.33 -3.64 116.66 114.57 2wdg n ARG 126 Ca 0.21 -0.38 -0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2wdg n ARG 126 Cb 0.19 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2wdg n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdg n LYS 127 N -0.03 1.04 -3.73 5.56 4.76 -1.26 -4.26 118.16 120.24 2wdg n LYS 127 Ca 0.03 -0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 2wdg n LYS 127 Cb 0.26 -1.28 -0.15 0.00 -1.84 0.00 0.00 35.03 32.02 2wdg n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdg s ALA 128 N -0.57 1.57 -1.01 7.82 0.00 -1.24 -5.23 121.76 123.10 2wdg s ALA 128 Ca 0.01 -1.72 0.08 0.00 0.00 0.00 0.00 51.96 50.33 2wdg s ALA 128 Cb 0.01 -1.64 0.06 0.00 0.00 0.00 0.00 23.12 21.55 2wdg s ALA 128 CO 0.00 -1.69 0.75 0.45 0.00 0.00 0.00 175.76 175.28