#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avv n PRO 75 N 0.00 0.00 -1.53 7.34 -0.02 -1.26 -4.69 135.00 134.84 1avv n PRO 75 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1avv n PRO 75 Cb 0.00 -1.26 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1avv n PRO 75 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1avv n LEU 76 N 2.72 1.89 -5.02 2.45 7.94 -1.26 -4.87 117.00 120.85 1avv n LEU 76 Ca 0.23 -0.20 -0.18 0.00 -1.11 0.00 0.00 56.01 54.75 1avv n LEU 76 Cb -0.01 -1.40 0.03 0.00 0.53 0.00 0.00 43.42 42.57 1avv n LEU 76 CO 0.68 -1.23 0.21 0.00 -1.11 0.00 0.00 177.39 175.95 1avv s ARG 77 N 8.09 2.67 0.11 1.96 1.70 -1.13 -5.05 118.95 127.31 1avv s ARG 77 Ca 1.08 -1.34 0.01 0.00 -0.47 0.00 0.00 55.73 55.02 1avv s ARG 77 Cb -0.51 -2.72 -0.04 0.00 -0.57 0.00 0.00 34.95 31.11 1avv s ARG 77 CO 0.35 -0.45 0.26 -1.25 -1.08 0.00 0.00 175.30 173.12 1avv s PRO 78 N -4.45 3.44 -0.98 3.89 0.04 -1.26 -4.21 135.00 131.47 1avv s PRO 78 Ca 0.57 -0.52 -0.16 0.00 0.04 0.00 0.00 61.00 60.93 1avv s PRO 78 Cb -0.09 -2.99 0.16 0.00 0.04 0.00 0.00 34.50 31.62 1avv s PRO 78 CO 0.35 0.56 1.12 1.41 0.04 0.00 0.00 177.00 180.47 1avv s MET 79 N -2.93 3.74 0.48 4.56 1.75 -1.26 -4.90 119.30 120.73 1avv s MET 79 Ca 0.35 -2.15 -0.04 0.00 -1.25 0.00 0.00 55.69 52.61 1avv s MET 79 Cb -0.12 -4.83 -0.02 0.00 2.84 0.00 0.00 34.83 32.70 1avv s MET 79 CO 0.28 -1.65 0.75 0.95 -0.65 0.00 0.00 175.02 174.71 1avv s THR 80 N 1.75 4.57 0.30 10.11 -4.23 -1.26 -4.91 115.64 121.97 1avv s THR 80 Ca 0.32 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1avv s THR 80 Cb -0.06 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1avv s THR 80 CO -0.07 -0.65 1.83 0.22 -0.54 0.00 0.00 174.62 175.40 1avv h TYR 81 N 0.26 1.07 0.21 3.99 5.03 -1.95 -1.31 116.97 124.27 1avv h TYR 81 Ca -0.47 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.87 1avv h TYR 81 Cb 1.22 -0.34 -0.03 0.00 1.55 0.00 0.00 36.73 39.13 1avv h TYR 81 CO 0.53 0.38 -0.44 -0.22 -1.32 0.00 0.00 178.16 177.09 1avv h LYS 82 N 0.90 -0.68 -0.70 1.82 3.64 -1.94 -2.58 116.57 117.03 1avv h LYS 82 Ca 0.51 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 60.08 1avv h LYS 82 Cb 0.61 0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.48 1avv h LYS 82 CO -0.28 -0.45 0.12 0.00 -2.27 0.00 0.00 179.45 176.57 1avv h ALA 83 N -0.82 0.84 -0.14 5.00 0.00 -1.68 -1.33 119.26 121.12 1avv h ALA 83 Ca -0.02 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1avv h ALA 83 Cb 0.67 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1avv h ALA 83 CO -0.18 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 178.96 1avv h ALA 84 N 1.59 1.62 0.00 0.00 0.00 -0.88 -0.19 119.26 121.41 1avv h ALA 84 Ca 0.38 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.85 1avv h ALA 84 Cb 0.65 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1avv h ALA 84 CO -0.52 -0.32 -2.38 0.28 0.00 0.00 0.00 179.25 176.32 1avv n VAL 85 N -3.45 1.53 -0.28 0.00 0.31 -0.56 -2.52 118.33 113.36 1avv n VAL 85 Ca 0.01 -0.34 0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1avv n VAL 85 Cb 0.35 -1.90 0.24 0.00 -0.91 0.00 0.00 33.84 31.62 1avv n VAL 85 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1avv h ASP 86 N -0.98 -0.04 -0.03 4.52 3.32 -1.09 1.45 116.42 123.56 1avv h ASP 86 Ca -0.66 0.18 -0.22 0.00 0.02 0.00 0.00 57.03 56.35 1avv h ASP 86 Cb 1.58 0.25 0.02 0.00 0.22 0.00 0.00 39.33 41.40 1avv h ASP 86 CO -0.39 -0.12 -0.85 0.25 -1.72 0.00 0.00 179.24 176.41 1avv h LEU 87 N 0.22 0.79 -1.16 1.55 5.85 -1.24 -1.04 115.31 120.28 1avv h LEU 87 Ca 0.49 -0.72 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1avv h LEU 87 Cb 0.93 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1avv h LEU 87 CO -0.61 1.41 0.17 -1.28 -0.34 0.00 0.00 178.44 177.78 1avv h SER 88 N 0.25 0.70 0.52 1.25 0.87 -0.61 -2.79 113.55 113.75 1avv h SER 88 Ca -0.10 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1avv h SER 88 Cb 1.51 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1avv h SER 88 CO 0.17 0.66 -0.25 0.45 -0.53 0.00 0.00 176.83 177.32 1avv h HIS 89 N 0.74 -0.65 -1.44 2.24 3.86 0.19 -3.22 115.15 116.88 1avv h HIS 89 Ca 0.17 -0.02 0.44 0.00 -1.16 0.00 0.00 60.37 59.81 1avv h HIS 89 Cb 0.21 0.21 -0.10 0.00 1.06 0.00 0.00 27.41 28.79 1avv h HIS 89 CO 0.01 -0.35 0.97 0.35 0.86 0.00 0.00 177.93 179.77 1avv h PHE 90 N -1.12 0.34 0.00 2.45 3.57 -1.10 0.40 116.94 121.49 1avv h PHE 90 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1avv h PHE 90 Cb 0.59 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1avv h PHE 90 CO 0.01 -0.11 0.00 -0.07 -2.23 0.00 0.00 178.31 175.91 1avv h LEU 91 N 0.08 0.00 0.00 0.59 3.38 -1.50 -3.04 115.31 114.82 1avv h LEU 91 Ca 0.80 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.72 1avv h LEU 91 Cb 2.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.48 1avv h LEU 91 CO -0.26 0.00 -0.64 0.50 0.09 0.00 0.00 178.44 178.13 1avv h LYS 92 N 0.00 0.00 0.00 1.13 3.64 -0.28 -3.31 116.57 117.75 1avv h LYS 92 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1avv h LYS 92 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1avv h LYS 92 CO 0.00 0.24 0.00 0.39 -2.27 0.00 0.00 179.45 177.81 1avv n GLU 93 N -4.59 0.18 -2.73 1.90 1.02 -1.03 -3.37 120.64 112.03 1avv n GLU 93 Ca -0.12 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1avv n GLU 93 Cb 0.34 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.35 1avv n GLU 93 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1avv n LYS 94 N -1.14 1.14 0.00 3.49 5.02 -1.15 -5.09 118.16 120.44 1avv n LYS 94 Ca 0.05 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 1avv n LYS 94 Cb 0.04 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1avv n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1avv n GLY 95 N -0.27 2.02 2.14 0.72 0.00 -1.22 -4.84 105.19 103.74 1avv n GLY 95 Ca 0.02 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1avv n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avv n GLY 96 N -0.42 4.94 0.10 -0.02 0.00 -1.26 -4.34 105.19 104.18 1avv n GLY 96 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1avv n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1avv h LEU 97 N 2.36 0.00 -8.97 0.99 5.85 -1.93 -3.39 115.31 110.23 1avv h LEU 97 Ca 0.44 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.58 1avv h LEU 97 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1avv h LEU 97 CO 1.15 0.80 1.50 -0.70 -0.34 0.00 0.00 178.44 180.86 1avv s GLU 98 N -3.01 3.08 0.00 1.25 2.56 -1.26 -2.31 118.70 119.00 1avv s GLU 98 Ca 0.01 2.01 0.00 0.00 0.00 0.00 0.00 54.97 56.99 1avv s GLU 98 Cb 0.10 -4.39 0.00 0.00 2.00 0.00 0.00 34.13 31.85 1avv s GLU 98 CO 0.79 -2.17 0.00 0.41 -0.56 0.00 0.00 175.26 173.73 1avv n GLY 99 N 5.79 3.05 2.05 -1.50 0.00 -0.47 -4.99 105.19 109.12 1avv n GLY 99 Ca 0.30 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1avv n GLY 99 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1avv n LEU 100 N 0.00 0.64 -4.67 0.99 0.00 -0.98 -3.90 117.00 109.08 1avv n LEU 100 Ca 0.00 0.65 -0.42 0.00 0.00 0.00 0.00 56.01 56.24 1avv n LEU 100 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 42.94 1avv n LEU 100 CO 0.00 -0.48 0.78 -0.38 0.00 0.00 0.00 177.39 177.31 1avv n ILE 101 N 2.14 2.26 -3.59 1.96 -0.00 -1.26 -2.23 119.36 118.65 1avv n ILE 101 Ca 0.17 -0.50 -0.38 0.00 -0.00 0.00 0.00 62.75 62.04 1avv n ILE 101 Cb -0.03 -1.40 -0.06 0.00 -0.00 0.00 0.00 39.64 38.15 1avv n ILE 101 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1avv s HIS 102 N -1.16 3.67 -0.02 1.39 2.46 0.65 -4.84 115.29 117.44 1avv s HIS 102 Ca 0.59 0.85 -0.05 0.00 0.47 0.00 0.00 55.06 56.91 1avv s HIS 102 Cb -0.57 -2.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.67 1avv s HIS 102 CO 0.60 0.62 0.12 -1.54 -2.47 0.00 0.00 174.74 172.06 1avv s SER 103 N -0.87 -0.01 0.19 9.88 1.04 -1.26 -4.49 113.70 118.17 1avv s SER 103 Ca 0.21 -0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.46 1avv s SER 103 Cb -0.15 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.37 1avv s SER 103 CO 0.10 -0.24 1.76 -0.61 0.98 0.00 0.00 173.24 175.23 1avv h GLN 104 N 4.96 0.39 -0.87 4.02 5.75 -2.00 -1.57 115.11 125.80 1avv h GLN 104 Ca -0.29 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1avv h GLN 104 Cb 1.20 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 1avv h GLN 104 CO 0.41 0.26 0.57 -0.09 -2.65 0.00 0.00 178.83 177.33 1avv h ARG 105 N 0.40 1.10 -0.31 1.69 9.65 -1.99 -1.22 114.38 123.70 1avv h ARG 105 Ca 0.25 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 58.95 1avv h ARG 105 Cb 0.24 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1avv h ARG 105 CO -0.23 0.73 -0.25 0.00 2.80 0.00 0.00 179.97 183.02 1avv h ARG 106 N 1.13 0.72 -0.64 0.20 3.08 -1.80 -2.63 114.38 114.44 1avv h ARG 106 Ca 0.33 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1avv h ARG 106 Cb -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1avv h ARG 106 CO -0.08 0.97 0.37 0.37 -1.07 0.00 0.00 179.97 180.52 1avv h GLN 107 N 0.48 0.67 -0.76 0.04 4.15 -0.81 -1.40 115.11 117.48 1avv h GLN 107 Ca 0.06 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1avv h GLN 107 Cb 0.81 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 1avv h GLN 107 CO 0.06 0.44 0.50 -0.44 -1.93 0.00 0.00 178.83 177.47 1avv h ASP 108 N 0.69 0.83 1.07 -0.69 3.32 -1.15 0.71 116.42 121.20 1avv h ASP 108 Ca 0.28 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1avv h ASP 108 Cb 0.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1avv h ASP 108 CO -0.16 0.58 -0.58 0.40 -1.72 0.00 0.00 179.24 177.76 1avv h ILE 109 N 0.97 1.12 0.48 0.35 1.08 -0.90 0.35 117.51 120.97 1avv h ILE 109 Ca 0.29 -2.24 -0.02 0.00 -0.39 0.00 0.00 64.86 62.50 1avv h ILE 109 Cb -0.01 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1avv h ILE 109 CO -0.08 0.57 -0.23 0.25 -0.69 0.00 0.00 178.15 177.97 1avv h LEU 110 N 0.00 -0.55 -0.50 1.44 5.85 -0.59 0.06 115.31 121.02 1avv h LEU 110 Ca -0.01 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1avv h LEU 110 Cb 1.27 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.36 1avv h LEU 110 CO 0.08 -0.13 -0.07 0.44 -0.34 0.00 0.00 178.44 178.41 1avv h ASP 111 N -1.15 -0.37 -0.77 1.25 3.32 0.40 -0.44 116.42 118.66 1avv h ASP 111 Ca -0.07 0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1avv h ASP 111 Cb 0.52 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1avv h ASP 111 CO 0.11 -0.13 0.31 -0.07 -1.72 0.00 0.00 179.24 177.73 1avv h LEU 112 N 0.04 1.07 0.85 1.55 -0.00 -0.32 -2.30 115.31 116.20 1avv h LEU 112 Ca 0.25 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1avv h LEU 112 Cb 0.38 -0.28 0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1avv h LEU 112 CO -0.48 0.95 -0.41 -0.25 -0.00 0.00 0.00 178.44 178.25 1avv h TRP 113 N 1.13 -1.06 -0.38 1.13 7.01 0.26 -2.10 115.95 121.94 1avv h TRP 113 Ca 0.26 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.31 1avv h TRP 113 Cb 0.22 0.35 -0.09 0.00 -2.10 0.00 0.00 29.16 27.54 1avv h TRP 113 CO 0.02 -0.66 -0.32 0.82 -2.79 0.00 0.00 178.44 175.51 1avv h ILE 114 N -1.15 0.24 -1.04 2.65 2.04 -1.11 0.69 117.51 119.83 1avv h ILE 114 Ca -0.12 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.02 1avv h ILE 114 Cb 0.88 0.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.08 1avv h ILE 114 CO 0.19 0.00 0.64 0.22 0.00 0.00 0.00 178.15 179.20 1avv h TYR 115 N -0.26 0.83 0.00 1.37 3.20 -1.34 0.64 116.97 121.41 1avv h TYR 115 Ca 0.17 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1avv h TYR 115 Cb 0.53 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1avv h TYR 115 CO -0.52 0.02 -0.47 0.45 -1.64 0.00 0.00 178.16 176.00 1avv h HIS 116 N 0.44 0.00 0.00 -3.82 3.86 -0.06 -2.04 115.15 113.53 1avv h HIS 116 Ca 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1avv h HIS 116 Cb 1.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.95 1avv h HIS 116 CO -0.01 1.04 0.00 2.41 0.86 0.00 0.00 177.93 182.24 1avv n THR 117 N -4.56 0.00 0.10 2.45 -1.04 0.22 -4.02 114.28 107.42 1avv n THR 117 Ca -0.17 1.15 -0.03 0.00 -2.04 0.00 0.00 64.05 62.97 1avv n THR 117 Cb 0.50 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1avv n THR 117 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1avv h GLN 118 N 0.00 0.00 0.00 -2.82 4.20 0.01 -3.44 115.11 113.06 1avv h GLN 118 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1avv h GLN 118 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1avv h GLN 118 CO 0.00 0.76 0.00 0.41 -0.67 0.00 0.00 178.83 179.33 1avv n GLY 119 N 1.05 1.10 3.65 3.46 0.00 -0.51 -4.87 105.19 109.08 1avv n GLY 119 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1avv n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1avv s TYR 120 N -2.00 3.35 -0.14 1.61 2.02 -1.24 -2.86 117.35 118.08 1avv s TYR 120 Ca 0.00 0.98 -0.36 0.00 -0.37 0.00 0.00 57.07 57.32 1avv s TYR 120 Cb 0.00 -2.88 -0.13 0.00 -0.40 0.00 0.00 41.96 38.56 1avv s TYR 120 CO 0.00 -0.25 1.86 0.34 -1.57 0.00 0.00 175.55 175.92 1avv n PHE 121 N 5.38 2.26 -0.37 2.71 7.35 -1.26 -3.67 117.46 129.86 1avv n PHE 121 Ca 0.01 0.13 -0.26 0.00 -0.76 0.00 0.00 57.45 56.57 1avv n PHE 121 Cb 0.49 -2.62 -0.06 0.00 0.35 0.00 0.00 39.48 37.64 1avv n PHE 121 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1avv n PRO 122 N 6.41 0.24 -0.36 -7.13 -0.04 -1.26 -4.09 135.00 128.76 1avv n PRO 122 Ca 0.24 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1avv n PRO 122 Cb 0.25 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1avv n PRO 122 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1avv n ASP 123 N 7.01 0.00 -0.07 3.54 5.75 -1.26 -4.88 116.55 126.63 1avv n ASP 123 Ca 0.28 -1.34 -0.03 0.00 -0.01 0.00 0.00 54.79 53.69 1avv n ASP 123 Cb 0.23 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.10 1avv n ASP 123 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1avv n TRP 124 N 0.00 0.05 -0.91 2.11 4.27 -1.26 -4.70 117.44 117.00 1avv n TRP 124 Ca 0.00 0.02 -0.21 0.00 -3.89 0.00 0.00 57.50 53.42 1avv n TRP 124 Cb 0.57 -0.86 -0.08 0.00 -1.36 0.00 0.00 31.31 29.58 1avv n TRP 124 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1avv n GLN 125 N -2.62 2.28 -3.85 -2.67 7.27 -1.26 -4.48 117.38 112.05 1avv n GLN 125 Ca -0.23 -1.34 -0.35 0.00 0.07 0.00 0.00 57.00 55.16 1avv n GLN 125 Cb 0.97 -2.28 -0.05 0.00 2.41 0.00 0.00 30.24 31.29 1avv n GLN 125 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1avv s ASN 126 N 2.51 6.42 0.37 1.69 0.01 -1.26 -5.02 114.94 119.66 1avv s ASN 126 Ca 0.54 0.45 0.08 0.00 -0.71 0.00 0.00 52.86 53.22 1avv s ASN 126 Cb 0.19 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.76 1avv s ASN 126 CO -0.02 0.29 0.10 -0.31 -1.51 0.00 0.00 177.10 175.64 1avv s TYR 127 N -1.25 2.60 0.74 2.20 1.51 -1.26 -0.50 117.35 121.39 1avv s TYR 127 Ca 0.25 -0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1avv s TYR 127 Cb -0.13 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1avv s TYR 127 CO 0.15 0.35 1.10 0.95 -1.11 0.00 0.00 175.55 176.99 1avv s THR 128 N -2.53 3.23 0.50 -0.71 -4.23 -0.04 -4.82 115.64 107.04 1avv s THR 128 Ca 0.38 0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 61.15 1avv s THR 128 Cb 0.01 -2.94 -0.08 0.00 1.34 0.00 0.00 72.50 70.83 1avv s THR 128 CO 0.21 -0.47 1.04 -2.16 -0.54 0.00 0.00 174.62 172.71 1avv s PRO 129 N -4.61 3.74 0.00 3.99 0.04 -1.26 -4.67 135.00 132.24 1avv s PRO 129 Ca 0.64 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1avv s PRO 129 Cb -0.19 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1avv s PRO 129 CO 0.51 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1avv n GLY 130 N -0.31 -0.79 3.72 0.56 0.00 -1.26 -4.95 105.19 102.16 1avv n GLY 130 Ca 0.09 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1avv n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1avv s PRO 131 N -0.95 0.32 2.10 1.61 0.02 -1.26 -5.11 135.00 131.72 1avv s PRO 131 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 61.00 61.25 1avv s PRO 131 Cb 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1avv s PRO 131 CO 0.00 -2.74 0.00 0.41 -0.33 0.00 0.00 177.00 174.34 1avv n GLY 132 N -1.66 0.73 3.82 0.52 0.00 -1.26 -4.91 105.19 102.43 1avv n GLY 132 Ca 0.08 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1avv n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1avv s VAL 133 N 0.00 4.80 -0.47 1.61 1.01 -1.26 -4.49 120.40 121.59 1avv s VAL 133 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1avv s VAL 133 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.63 1avv s VAL 133 CO 0.00 0.55 0.37 -0.13 0.00 0.00 0.00 175.10 175.89 1avv s ARG 134 N -1.13 2.71 0.05 2.72 3.00 -0.19 -4.86 118.95 121.25 1avv s ARG 134 Ca 0.28 -1.61 -0.27 0.00 0.00 0.00 0.00 55.73 54.13 1avv s ARG 134 Cb -0.19 -4.01 -0.05 0.00 0.00 0.00 0.00 34.95 30.70 1avv s ARG 134 CO 0.18 -1.14 0.85 0.71 0.00 0.00 0.00 175.30 175.90 1avv s TYR 135 N 1.48 3.74 0.35 -0.53 2.02 -1.26 -1.05 117.35 122.11 1avv s TYR 135 Ca 0.04 1.59 -0.28 0.00 -0.37 0.00 0.00 57.07 58.05 1avv s TYR 135 Cb -0.26 -2.92 -0.11 0.00 -0.40 0.00 0.00 41.96 38.27 1avv s TYR 135 CO 0.02 0.21 1.38 -1.25 -1.57 0.00 0.00 175.55 174.35 1avv s PRO 136 N 0.12 4.24 0.46 -1.71 0.04 -1.26 -0.86 135.00 136.02 1avv s PRO 136 Ca 0.42 2.36 0.26 0.00 0.04 0.00 0.00 61.00 64.08 1avv s PRO 136 Cb -0.21 -3.01 0.77 0.00 0.04 0.00 0.00 34.50 32.08 1avv s PRO 136 CO 0.25 -0.35 1.76 -0.07 0.04 0.00 0.00 177.00 178.64 1avv h LEU 137 N 3.19 0.00 -8.77 -3.56 -0.00 -1.10 -3.40 115.31 101.67 1avv h LEU 137 Ca -0.50 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 56.74 1avv h LEU 137 Cb 1.23 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.74 1avv h LEU 137 CO 0.65 0.12 -0.05 -0.89 -0.00 0.00 0.00 178.44 178.26 1avv s THR 138 N -3.43 5.02 0.15 0.22 2.01 -1.26 -4.95 115.64 113.40 1avv s THR 138 Ca 0.03 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1avv s THR 138 Cb 0.08 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1avv s THR 138 CO 0.63 -0.20 1.25 0.12 -0.69 0.00 0.00 174.62 175.73 1avv s PHE 139 N 2.38 3.37 0.00 4.92 5.36 -1.26 -2.57 117.98 130.18 1avv s PHE 139 Ca 0.19 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1avv s PHE 139 Cb -0.15 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1avv s PHE 139 CO 0.13 -1.53 0.00 0.41 -1.46 0.00 0.00 175.22 172.78 1avv n GLY 140 N 2.63 3.15 3.63 13.12 0.00 -1.26 -4.43 105.19 122.03 1avv n GLY 140 Ca 0.07 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1avv n GLY 140 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1avv s TRP 141 N -0.12 2.11 -0.95 1.61 -0.11 -1.06 -3.64 118.94 116.78 1avv s TRP 141 Ca 0.00 0.57 -0.01 0.00 1.22 0.00 0.00 56.10 57.87 1avv s TRP 141 Cb 0.00 -4.01 0.29 0.00 -1.50 0.00 0.00 33.47 28.25 1avv s TRP 141 CO 0.00 -2.87 1.24 0.00 -4.62 0.00 0.00 176.95 170.70 1avv s TYR 143 N -2.63 -1.07 0.50 0.00 2.02 -1.26 -3.33 117.35 111.57 1avv s TYR 143 Ca 0.34 1.99 0.05 0.00 -0.37 0.00 0.00 57.07 59.08 1avv s TYR 143 Cb 0.07 0.59 0.01 0.00 -0.40 0.00 0.00 41.96 42.23 1avv s TYR 143 CO 0.06 -0.55 0.30 -1.59 -1.57 0.00 0.00 175.55 172.19 1avv s LYS 144 N 2.32 2.27 -0.24 -0.62 -2.85 0.22 -4.23 119.74 116.61 1avv s LYS 144 Ca -0.07 -1.99 0.01 0.00 -1.00 0.00 0.00 55.97 52.93 1avv s LYS 144 Cb -0.10 -2.02 0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1avv s LYS 144 CO -0.17 -0.43 -0.12 -0.51 0.10 0.00 0.00 175.35 174.21 1avv s LEU 145 N -4.13 3.02 0.14 2.77 1.43 -0.21 -1.63 118.68 120.07 1avv s LEU 145 Ca 0.33 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1avv s LEU 145 Cb -0.00 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1avv s LEU 145 CO 0.20 -0.12 -0.01 0.68 0.23 0.00 0.00 176.35 177.32 1avv s VAL 146 N 1.21 3.76 0.74 -1.59 -7.23 -1.02 -1.02 120.40 115.24 1avv s VAL 146 Ca -0.03 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 58.78 1avv s VAL 146 Cb -0.17 -2.85 0.07 0.00 0.56 0.00 0.00 36.38 33.99 1avv s VAL 146 CO -0.07 -0.02 1.06 -2.84 -0.31 0.00 0.00 175.10 172.91 1avv s PRO 147 N -2.68 2.06 -0.96 4.82 0.02 -1.26 -1.04 135.00 135.96 1avv s PRO 147 Ca 0.26 -0.23 -0.24 0.00 0.02 0.00 0.00 61.00 60.81 1avv s PRO 147 Cb -0.10 -2.12 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1avv s PRO 147 CO 0.18 -1.36 2.01 -1.21 -0.33 0.00 0.00 177.00 176.29 1avv s GLU 179 N -5.33 2.34 -0.05 5.54 2.02 -1.26 -4.69 118.70 117.27 1avv s GLU 179 Ca 0.61 -0.39 -0.30 0.00 0.02 0.00 0.00 54.97 54.92 1avv s GLU 179 Cb -0.10 -5.06 -0.03 0.00 0.10 0.00 0.00 34.13 29.04 1avv s GLU 179 CO 0.46 -3.77 1.08 0.08 0.02 0.00 0.00 175.26 173.13 1avv s VAL 180 N 11.29 4.55 0.22 2.63 1.01 -1.26 -5.03 120.40 133.81 1avv s VAL 180 Ca 0.73 1.84 0.11 0.00 0.00 0.00 0.00 61.98 64.66 1avv s VAL 180 Cb -0.06 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1avv s VAL 180 CO 0.04 0.05 -0.21 -0.76 0.00 0.00 0.00 175.10 174.22 1avv s LEU 181 N 1.77 2.50 0.17 3.92 1.43 -1.26 -4.98 118.68 122.22 1avv s LEU 181 Ca 0.53 -0.93 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 1avv s LEU 181 Cb -0.22 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1avv s LEU 181 CO 0.22 0.03 -0.19 -1.61 0.23 0.00 0.00 176.35 175.03 1avv s GLU 182 N -3.06 1.33 -1.04 1.70 2.02 -0.20 0.24 118.70 119.68 1avv s GLU 182 Ca 0.23 -1.43 -0.20 0.00 0.02 0.00 0.00 54.97 53.58 1avv s GLU 182 Cb -0.06 -1.44 0.09 0.00 0.10 0.00 0.00 34.13 32.82 1avv s GLU 182 CO 0.11 0.30 1.38 -1.58 0.02 0.00 0.00 175.26 175.48 1avv s TRP 183 N -1.96 2.85 -0.33 1.61 0.51 -0.94 -2.42 118.94 118.24 1avv s TRP 183 Ca 0.17 -1.25 -0.14 0.00 -2.12 0.00 0.00 56.10 52.76 1avv s TRP 183 Cb -0.06 -4.53 -0.02 0.00 -0.81 0.00 0.00 33.47 28.05 1avv s TRP 183 CO 0.07 -1.72 0.31 1.03 -0.51 0.00 0.00 176.95 176.13 1avv s ARG 184 N 3.80 3.59 0.95 4.98 1.81 -0.65 -1.37 118.95 132.06 1avv s ARG 184 Ca 0.42 -0.47 -0.11 0.00 -1.72 0.00 0.00 55.73 53.85 1avv s ARG 184 Cb -0.01 -3.79 0.16 0.00 -0.45 0.00 0.00 34.95 30.86 1avv s ARG 184 CO -0.07 -0.46 1.09 0.12 -0.68 0.00 0.00 175.30 175.30 1avv s PHE 185 N 1.90 2.00 0.00 -0.53 2.19 -1.26 -0.61 117.98 121.68 1avv s PHE 185 Ca 0.10 1.34 0.00 0.00 0.33 0.00 0.00 56.93 58.69 1avv s PHE 185 Cb -0.17 -3.18 0.00 0.00 -1.31 0.00 0.00 43.02 38.36 1avv s PHE 185 CO 0.11 -2.77 0.00 -3.47 1.83 0.00 0.00 175.22 170.92 1avv n ASP 186 N -4.15 0.00 -0.09 6.13 2.03 -1.21 -4.80 116.55 114.46 1avv n ASP 186 Ca 0.07 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.52 1avv n ASP 186 Cb 0.54 0.00 0.68 0.00 -0.72 0.00 0.00 41.12 41.62 1avv n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1avv n SER 187 N 0.00 0.34 0.00 1.67 3.41 -1.26 -2.85 113.62 114.93 1avv n SER 187 Ca 0.00 -0.54 0.11 0.00 -0.26 0.00 0.00 58.87 58.19 1avv n SER 187 Cb 0.00 -0.11 0.67 0.00 -0.26 0.00 0.00 64.21 64.51 1avv n SER 187 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1avv n ARG 188 N -1.01 0.81 0.13 4.33 0.63 -1.26 -2.26 116.66 118.03 1avv n ARG 188 Ca 0.15 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.19 1avv n ARG 188 Cb 0.25 -1.44 0.04 0.00 0.45 0.00 0.00 32.46 31.77 1avv n ARG 188 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1avv h LEU 189 N 0.00 0.00 0.00 6.15 3.38 -1.75 0.15 115.31 123.24 1avv h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1avv h LEU 189 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1avv h LEU 189 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1avv n ALA 190 N -2.18 2.38 0.00 1.53 0.00 -0.96 -4.06 120.51 117.23 1avv n ALA 190 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1avv n ALA 190 Cb 0.58 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1avv n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1avv n PHE 191 N -1.39 0.00 -3.53 0.00 3.72 -1.21 -4.76 117.46 110.29 1avv n PHE 191 Ca 0.11 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1avv n PHE 191 Cb 0.28 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.72 1avv n PHE 191 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1avv s HIS 192 N -1.62 3.23 -1.31 1.38 2.46 0.51 -4.98 115.29 114.96 1avv s HIS 192 Ca 0.00 -0.31 -0.14 0.00 0.47 0.00 0.00 55.06 55.08 1avv s HIS 192 Cb 0.00 -2.48 0.11 0.00 -0.13 0.00 0.00 32.58 30.08 1avv s HIS 192 CO 0.00 -0.41 1.79 1.58 -2.47 0.00 0.00 174.74 175.24 1avv n HIS 193 N 5.10 4.13 0.18 3.88 -0.00 -1.26 -4.49 115.22 122.76 1avv n HIS 193 Ca -0.12 -3.00 -0.12 0.00 0.46 0.00 0.00 57.72 54.94 1avv n HIS 193 Cb 0.49 -2.35 -0.06 0.00 -0.12 0.00 0.00 29.99 27.95 1avv n HIS 193 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1avv h VAL 194 N 4.57 0.00 -1.47 3.57 2.07 -1.90 -2.38 116.25 120.71 1avv h VAL 194 Ca 0.43 0.00 0.47 0.00 0.82 0.00 0.00 66.70 68.42 1avv h VAL 194 Cb 0.77 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.42 1avv h VAL 194 CO 1.53 0.00 0.98 0.00 0.02 0.00 0.00 177.57 180.11 1avv h ALA 195 N -1.18 3.02 0.02 1.67 0.00 -1.86 1.62 119.26 122.55 1avv h ALA 195 Ca -0.04 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1avv h ALA 195 Cb 0.57 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1avv h ALA 195 CO -0.05 -1.64 -0.94 -0.09 0.00 0.00 0.00 179.25 176.53 1avv h ARG 196 N 0.05 0.10 -0.10 0.00 2.43 -1.70 -1.68 114.38 113.49 1avv h ARG 196 Ca 0.85 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1avv h ARG 196 Cb 2.87 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 32.46 1avv h ARG 196 CO -0.32 0.96 0.05 1.49 -1.51 0.00 0.00 179.97 180.65 1avv h GLU 197 N 0.05 0.14 0.22 0.20 4.81 0.28 -3.14 114.58 117.13 1avv h GLU 197 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1avv h GLU 197 Cb 1.62 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1avv h GLU 197 CO 0.13 0.17 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.41 1avv h LEU 198 N 0.06 -0.24 -7.26 1.64 3.38 -1.47 -3.39 115.31 108.03 1avv h LEU 198 Ca 0.03 -0.27 -0.73 0.00 0.09 0.00 0.00 57.88 57.00 1avv h LEU 198 Cb 0.08 0.06 -0.33 0.00 0.09 0.00 0.00 40.66 40.55 1avv h LEU 198 CO -0.01 0.27 0.09 1.41 0.09 0.00 0.00 178.44 180.29 1avv n HIS 199 N -4.98 4.25 0.30 1.13 8.25 -0.63 -4.87 115.22 118.66 1avv n HIS 199 Ca -0.08 -3.94 0.19 0.00 -0.26 0.00 0.00 57.72 53.63 1avv n HIS 199 Cb 0.25 -1.24 0.87 0.00 1.12 0.00 0.00 29.99 30.99 1avv n HIS 199 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1avv h PRO 200 N 5.96 0.00 -0.58 -0.41 0.11 -1.76 -2.97 132.00 132.36 1avv h PRO 200 Ca 0.17 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1avv h PRO 200 Cb 0.79 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 1avv h PRO 200 CO 0.94 0.01 0.35 0.93 -0.21 0.00 0.00 178.00 180.02 1avv h GLU 201 N 0.00 0.67 0.00 1.05 3.07 -1.89 -2.36 114.58 115.12 1avv h GLU 201 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1avv h GLU 201 Cb 0.33 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1avv h GLU 201 CO 0.00 0.44 0.00 1.88 -1.40 0.00 0.00 179.01 179.94 1avv h TYR 202 N 0.69 0.00 -0.01 4.33 -1.99 -1.90 -3.55 116.97 114.54 1avv h TYR 202 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1avv h TYR 202 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 1avv h TYR 202 CO -0.06 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.29