#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2of5 n ILE 110 N 0.00 0.94 -0.05 0.61 3.06 -1.26 -2.25 119.36 120.42 2of5 n ILE 110 Ca 0.00 0.38 -0.16 0.00 -2.50 0.00 0.00 62.75 60.47 2of5 n ILE 110 Cb 0.00 -1.33 -0.06 0.00 0.54 0.00 0.00 39.64 38.79 2of5 n ILE 110 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2of5 h LEU 111 N 0.00 0.92 -2.93 9.51 3.38 -1.99 -3.03 115.31 121.18 2of5 h LEU 111 Ca 0.00 -0.59 -0.24 0.00 0.09 0.00 0.00 57.88 57.14 2of5 h LEU 111 Cb 0.24 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 40.58 2of5 h LEU 111 CO 0.00 1.36 0.31 0.59 0.09 0.00 0.00 178.44 180.78 2of5 n ASN 112 N -4.01 3.42 -4.59 -0.43 4.13 -0.95 -0.03 115.26 112.80 2of5 n ASN 112 Ca -0.06 -2.75 -0.25 0.00 1.68 0.00 0.00 54.58 53.20 2of5 n ASN 112 Cb 0.68 -0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 38.17 2of5 n ASN 112 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2of5 s SER 113 N -0.05 4.30 -0.13 6.41 0.15 -1.14 -4.91 113.70 118.32 2of5 s SER 113 Ca 0.26 -0.67 -0.10 0.00 0.70 0.00 0.00 55.95 56.15 2of5 s SER 113 Cb 0.22 -0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 63.76 2of5 s SER 113 CO 0.05 0.05 0.19 -0.44 1.20 0.00 0.00 173.24 174.29 2of5 s SER 114 N -3.30 6.41 0.66 5.45 0.01 -1.26 0.25 113.70 121.92 2of5 s SER 114 Ca 0.28 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.86 2of5 s SER 114 Cb -0.07 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.05 2of5 s SER 114 CO 0.17 0.30 1.20 -2.16 0.41 0.00 0.00 173.24 173.17 2of5 s PRO 115 N -0.51 2.58 0.58 12.44 0.04 -1.26 -4.95 135.00 143.92 2of5 s PRO 115 Ca 0.15 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 2of5 s PRO 115 Cb -0.12 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2of5 s PRO 115 CO 0.04 -1.49 0.83 -1.54 0.04 0.00 0.00 177.00 174.88 2of5 s SER 116 N -1.90 5.30 0.21 6.66 1.04 -1.26 -4.84 113.70 118.91 2of5 s SER 116 Ca 0.75 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 57.33 2of5 s SER 116 Cb -0.29 -1.16 0.28 0.00 0.10 0.00 0.00 66.02 64.95 2of5 s SER 116 CO 0.40 -1.17 1.70 0.44 0.98 0.00 0.00 173.24 175.59 2of5 h ASP 117 N -0.08 -0.03 0.35 7.02 3.32 -2.00 0.23 116.42 125.23 2of5 h ASP 117 Ca -0.44 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2of5 h ASP 117 Cb 1.29 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 2of5 h ASP 117 CO 0.56 -0.00 -0.31 -0.09 -1.72 0.00 0.00 179.24 177.68 2of5 h ARG 118 N 0.24 -0.65 -0.55 3.56 2.43 -1.99 -2.33 114.38 115.09 2of5 h ARG 118 Ca 0.31 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2of5 h ARG 118 Cb 0.46 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2of5 h ARG 118 CO -0.41 -0.43 0.34 1.96 -1.51 0.00 0.00 179.97 179.92 2of5 h GLN 119 N -0.67 0.73 -0.26 0.20 4.20 -1.72 -1.09 115.11 116.49 2of5 h GLN 119 Ca -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2of5 h GLN 119 Cb 0.60 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2of5 h GLN 119 CO -0.03 0.50 0.05 0.82 -0.67 0.00 0.00 178.83 179.49 2of5 h ILE 120 N 0.75 1.22 -0.58 2.54 2.04 -0.94 -0.72 117.51 121.83 2of5 h ILE 120 Ca 0.20 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.42 2of5 h ILE 120 Cb -0.06 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 2of5 h ILE 120 CO -0.04 0.24 0.12 -1.13 0.00 0.00 0.00 178.15 177.34 2of5 h ASN 121 N 0.24 0.00 0.01 1.72 -1.24 -0.73 0.42 115.58 116.00 2of5 h ASN 121 Ca 0.08 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.20 2of5 h ASN 121 Cb 0.31 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2of5 h ASN 121 CO 0.00 0.01 -0.00 1.56 -1.29 0.00 0.00 177.43 177.71 2of5 h GLN 122 N 0.26 -0.01 -0.49 6.67 4.20 -1.01 -3.09 115.11 121.63 2of5 h GLN 122 Ca 0.30 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.07 2of5 h GLN 122 Cb 0.44 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2of5 h GLN 122 CO -0.39 0.29 0.22 1.25 -0.67 0.00 0.00 178.83 179.53 2of5 h LEU 123 N -0.31 0.28 -0.74 1.46 5.85 -0.76 -2.32 115.31 118.77 2of5 h LEU 123 Ca -0.00 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.91 2of5 h LEU 123 Cb 0.30 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 2of5 h LEU 123 CO 0.00 0.20 0.24 0.00 -0.34 0.00 0.00 178.44 178.54 2of5 h ALA 124 N 1.29 1.01 -0.26 1.25 0.00 -0.89 -2.06 119.26 119.60 2of5 h ALA 124 Ca 0.23 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2of5 h ALA 124 Cb 0.18 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2of5 h ALA 124 CO -0.19 -0.28 -0.35 1.96 0.00 0.00 0.00 179.25 180.38 2of5 h GLN 125 N 0.35 -0.34 -0.70 0.00 4.20 -1.33 -2.23 115.11 115.06 2of5 h GLN 125 Ca 0.42 0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.26 2of5 h GLN 125 Cb 0.68 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 2of5 h GLN 125 CO -0.46 -0.23 0.46 0.00 -0.67 0.00 0.00 178.83 177.94 2of5 h ARG 126 N -0.35 0.50 -6.83 1.46 2.47 -1.39 -3.44 114.38 106.80 2of5 h ARG 126 Ca 0.13 -0.03 -0.53 0.00 -1.26 0.00 0.00 59.98 58.29 2of5 h ARG 126 Cb 0.56 -0.11 0.07 0.00 -1.65 0.00 0.00 29.97 28.84 2of5 h ARG 126 CO -0.46 0.33 0.74 -0.51 0.56 0.00 0.00 179.97 180.64 2of5 s LEU 127 N -9.48 4.38 0.00 3.04 1.43 -0.84 -5.04 118.68 112.17 2of5 s LEU 127 Ca -0.08 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2of5 s LEU 127 Cb 0.20 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2of5 s LEU 127 CO 0.76 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2of5 n GLY 128 N 1.47 1.70 0.00 -3.19 0.00 -1.26 -4.93 105.19 98.98 2of5 n GLY 128 Ca 0.04 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.71 2of5 n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2of5 n PRO 129 N 0.00 0.89 -0.28 1.61 -0.04 -1.26 -3.09 135.00 132.82 2of5 n PRO 129 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2of5 n PRO 129 Cb 0.00 -1.44 0.22 0.00 -0.04 0.00 0.00 33.50 32.24 2of5 n PRO 129 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2of5 n GLU 130 N -0.94 2.29 -0.08 0.54 -0.00 -1.26 -4.11 120.64 117.08 2of5 n GLU 130 Ca 0.19 -1.81 -0.13 0.00 -0.00 0.00 0.00 57.16 55.40 2of5 n GLU 130 Cb 0.09 -1.44 -0.05 0.00 -0.00 0.00 0.00 31.44 30.03 2of5 n GLU 130 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 2of5 h TRP 131 N 2.88 0.72 -0.40 -1.84 5.08 -1.90 -1.41 115.95 119.07 2of5 h TRP 131 Ca 0.00 -0.22 0.08 0.00 1.08 0.00 0.00 58.89 59.83 2of5 h TRP 131 Cb 0.74 -0.15 -0.09 0.00 -3.00 0.00 0.00 29.16 26.66 2of5 h TRP 131 CO 0.37 0.93 -0.29 0.93 -1.28 0.00 0.00 178.44 179.11 2of5 h GLU 132 N 0.30 -0.21 -0.30 0.12 5.08 -1.87 0.14 114.58 117.84 2of5 h GLU 132 Ca 0.03 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2of5 h GLU 132 Cb 0.82 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2of5 h GLU 132 CO 0.06 -0.14 0.03 -1.35 -1.00 0.00 0.00 179.01 176.62 2of5 h PRO 133 N -0.21 0.45 -0.24 2.33 0.11 -1.80 -1.15 132.00 131.48 2of5 h PRO 133 Ca 0.18 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 2of5 h PRO 133 Cb 0.51 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2of5 h PRO 133 CO -0.52 0.45 -0.03 1.98 -0.21 0.00 0.00 178.00 179.66 2of5 h MET 134 N 0.44 0.45 0.00 1.05 4.05 0.19 -2.12 114.93 118.99 2of5 h MET 134 Ca 0.10 -0.16 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 2of5 h MET 134 Cb 0.24 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2of5 h MET 134 CO 0.00 0.66 -0.22 -0.39 0.23 0.00 0.00 176.91 177.19 2of5 h VAL 135 N 0.21 0.59 -0.29 -5.77 -1.51 -0.57 -2.09 116.25 106.82 2of5 h VAL 135 Ca 0.06 -1.05 -0.11 0.00 -1.23 0.00 0.00 66.70 64.37 2of5 h VAL 135 Cb 0.48 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2of5 h VAL 135 CO 0.02 0.22 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.24 2of5 h LEU 136 N 0.00 0.73 -0.45 4.19 3.38 -0.98 -1.77 115.31 120.41 2of5 h LEU 136 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2of5 h LEU 136 Cb 0.68 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2of5 h LEU 136 CO 0.03 1.05 0.00 -1.54 0.09 0.00 0.00 178.44 178.07 2of5 n SER 137 N -4.28 0.68 -0.17 -0.43 3.41 -0.82 -3.06 113.62 108.95 2of5 n SER 137 Ca -0.04 -1.47 0.09 0.00 -0.26 0.00 0.00 58.87 57.19 2of5 n SER 137 Cb 0.46 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2of5 n SER 137 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2of5 n LEU 138 N -0.36 1.25 0.00 1.04 4.77 -0.80 -4.88 117.00 118.01 2of5 n LEU 138 Ca 0.16 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2of5 n LEU 138 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2of5 n LEU 138 CO 0.13 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2of5 n GLY 139 N 1.37 1.43 3.69 -0.72 0.00 -1.11 -5.06 105.19 104.80 2of5 n GLY 139 Ca 0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2of5 n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2of5 s LEU 140 N 0.00 2.54 0.31 0.99 1.43 -0.70 -5.00 118.68 118.25 2of5 s LEU 140 Ca 0.00 1.83 0.11 0.00 -1.03 0.00 0.00 54.13 55.04 2of5 s LEU 140 Cb 0.00 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.90 2of5 s LEU 140 CO 0.00 -2.79 -0.12 -0.94 0.23 0.00 0.00 176.35 172.73 2of5 s SER 141 N -3.06 3.79 0.52 2.29 1.04 -1.26 -4.41 113.70 112.61 2of5 s SER 141 Ca 0.64 -1.05 0.31 0.00 0.48 0.00 0.00 55.95 56.34 2of5 s SER 141 Cb -0.20 -0.39 1.45 0.00 0.10 0.00 0.00 66.02 66.98 2of5 s SER 141 CO 0.58 -0.08 1.85 1.56 0.98 0.00 0.00 173.24 178.14 2of5 h GLN 142 N 2.10 0.05 0.00 4.02 1.08 -1.97 0.87 115.11 121.26 2of5 h GLN 142 Ca -0.41 -0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.68 2of5 h GLN 142 Cb 1.25 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2of5 h GLN 142 CO 0.64 0.03 -0.47 1.15 -0.95 0.00 0.00 178.83 179.23 2of5 h THR 143 N 0.05 1.15 0.16 -0.54 2.02 -2.01 -2.93 112.91 110.82 2of5 h THR 143 Ca 0.48 -1.73 -0.22 0.00 0.77 0.00 0.00 66.41 65.71 2of5 h THR 143 Cb 1.84 1.98 0.02 0.00 -1.74 0.00 0.00 68.15 70.25 2of5 h THR 143 CO -0.04 0.46 -1.01 0.44 0.37 0.00 0.00 175.52 175.75 2of5 h ASP 144 N 0.00 0.53 -0.79 4.18 3.32 0.33 -3.26 116.42 120.74 2of5 h ASP 144 Ca -0.00 -0.94 0.06 0.00 0.02 0.00 0.00 57.03 56.16 2of5 h ASP 144 Cb 0.94 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 2of5 h ASP 144 CO 0.06 1.48 0.52 0.40 -1.72 0.00 0.00 179.24 179.98 2of5 h ILE 145 N -0.27 1.05 -0.64 0.35 2.04 -1.23 -1.18 117.51 117.64 2of5 h ILE 145 Ca -0.18 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2of5 h ILE 145 Cb 1.76 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2of5 h ILE 145 CO 0.17 0.16 0.17 1.88 0.00 0.00 0.00 178.15 180.52 2of5 h TYR 146 N 0.87 1.06 -0.41 1.37 0.05 -1.62 -0.89 116.97 117.40 2of5 h TYR 146 Ca 0.33 -0.12 0.11 0.00 0.05 0.00 0.00 58.73 59.11 2of5 h TYR 146 Cb 0.20 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2of5 h TYR 146 CO -0.00 0.88 0.29 0.00 -1.05 0.00 0.00 178.16 178.28 2of5 h ARG 147 N 0.94 0.03 -0.00 4.88 3.08 -1.26 0.02 114.38 122.06 2of5 h ARG 147 Ca 0.20 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2of5 h ARG 147 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2of5 h ARG 147 CO -0.00 0.02 -0.20 0.00 -1.07 0.00 0.00 179.97 178.72 2of5 h LYS 149 N -0.56 0.65 0.24 0.00 1.57 -0.76 -2.77 116.57 114.95 2of5 h LYS 149 Ca -0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2of5 h LYS 149 Cb 0.96 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2of5 h LYS 149 CO 0.04 0.61 -0.12 0.00 -0.57 0.00 0.00 179.45 179.41 2of5 h ALA 150 N 1.47 -0.33 -0.77 3.86 0.00 -1.08 -2.67 119.26 119.74 2of5 h ALA 150 Ca 0.14 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.01 2of5 h ALA 150 Cb 0.27 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2of5 h ALA 150 CO -0.00 -0.48 0.52 -0.91 0.00 0.00 0.00 179.25 178.38 2of5 h ASN 151 N -0.74 0.41 -2.59 0.00 4.21 -1.33 -3.13 115.58 112.42 2of5 h ASN 151 Ca -0.03 0.02 -0.60 0.00 1.21 0.00 0.00 56.30 56.90 2of5 h ASN 151 Cb 0.50 -0.06 -0.40 0.00 -1.12 0.00 0.00 38.32 37.24 2of5 h ASN 151 CO 0.05 0.21 -0.80 1.41 -1.29 0.00 0.00 177.43 177.01 2of5 n HIS 152 N -4.49 1.10 -0.18 1.19 8.25 -1.05 -5.01 115.22 115.03 2of5 n HIS 152 Ca 0.15 -3.78 -0.02 0.00 -0.26 0.00 0.00 57.72 53.80 2of5 n HIS 152 Cb 0.53 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.49 2of5 n HIS 152 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2of5 h PRO 153 N 5.26 -0.02 -2.16 -0.41 0.13 -1.42 -3.27 132.00 130.11 2of5 h PRO 153 Ca 0.20 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.77 2of5 h PRO 153 Cb 0.83 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.55 2of5 h PRO 153 CO 0.55 -0.01 -0.82 -2.39 -0.23 0.00 0.00 178.00 175.10 2of5 n HIS 154 N -5.39 2.48 -2.70 1.56 1.44 -1.26 -4.86 115.22 106.49 2of5 n HIS 154 Ca 0.05 -3.94 -0.05 0.00 -2.01 0.00 0.00 57.72 51.78 2of5 n HIS 154 Cb 0.29 -0.47 0.05 0.00 0.12 0.00 0.00 29.99 29.98 2of5 n HIS 154 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2of5 n ASN 155 N 0.36 -2.08 -0.32 4.39 5.15 -1.24 -5.03 115.26 116.49 2of5 n ASN 155 Ca 0.28 -2.07 0.20 0.00 -0.60 0.00 0.00 54.58 52.40 2of5 n ASN 155 Cb 0.48 1.15 0.47 0.00 -0.53 0.00 0.00 39.78 41.34 2of5 n ASN 155 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2of5 h VAL 156 N 2.71 0.57 -0.20 3.44 2.07 -1.89 -1.54 116.25 121.40 2of5 h VAL 156 Ca -0.10 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2of5 h VAL 156 Cb 1.14 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2of5 h VAL 156 CO -0.02 0.08 -0.12 -0.61 0.02 0.00 0.00 177.57 176.92 2of5 h GLN 157 N 0.46 -0.11 0.00 1.57 5.75 -1.95 -0.42 115.11 120.42 2of5 h GLN 157 Ca 0.58 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 59.06 2of5 h GLN 157 Cb 1.36 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.93 2of5 h GLN 157 CO -0.31 -0.07 -0.16 0.77 -2.65 0.00 0.00 178.83 176.41 2of5 h SER 158 N -0.11 0.00 0.45 -0.69 0.02 -1.68 -1.92 113.55 109.62 2of5 h SER 158 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2of5 h SER 158 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2of5 h SER 158 CO -0.27 0.16 -0.21 1.56 -1.14 0.00 0.00 176.83 176.92 2of5 h GLN 159 N 0.00 -0.58 -1.16 3.45 4.20 -0.84 -0.08 115.11 120.11 2of5 h GLN 159 Ca -0.00 0.04 0.33 0.00 0.06 0.00 0.00 58.65 59.08 2of5 h GLN 159 Cb 0.76 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.61 2of5 h GLN 159 CO 0.02 -0.38 0.81 0.28 -0.67 0.00 0.00 178.83 178.89 2of5 h VAL 160 N -0.67 0.42 -0.10 -0.54 2.07 -1.07 0.89 116.25 117.24 2of5 h VAL 160 Ca -0.06 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 2of5 h VAL 160 Cb 0.46 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2of5 h VAL 160 CO 0.10 0.02 -0.44 0.58 0.02 0.00 0.00 177.57 177.85 2of5 h VAL 161 N 0.10 1.38 -0.50 2.57 2.07 -1.05 -2.95 116.25 117.87 2of5 h VAL 161 Ca 0.58 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2of5 h VAL 161 Cb 2.10 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 34.05 2of5 h VAL 161 CO -0.09 0.53 0.16 -0.08 0.02 0.00 0.00 177.57 178.11 2of5 h GLU 162 N 0.06 0.77 -0.85 1.57 4.81 0.11 -2.75 114.58 118.29 2of5 h GLU 162 Ca -0.03 -0.16 0.19 0.00 -0.13 0.00 0.00 59.36 59.23 2of5 h GLU 162 Cb 1.08 -0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.24 2of5 h GLU 162 CO 0.09 0.72 0.36 0.00 -0.73 0.00 0.00 179.01 179.45 2of5 h ALA 163 N 1.02 1.31 0.00 2.92 0.00 -1.13 0.33 119.26 123.71 2of5 h ALA 163 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2of5 h ALA 163 Cb 0.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2of5 h ALA 163 CO -0.01 -0.29 0.00 0.74 0.00 0.00 0.00 179.25 179.70 2of5 h PHE 164 N 0.42 0.00 0.00 0.00 0.05 -1.34 -1.66 116.94 114.41 2of5 h PHE 164 Ca 0.51 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.29 2of5 h PHE 164 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.86 2of5 h PHE 164 CO -0.15 0.00 -0.05 0.82 -0.18 0.00 0.00 178.31 178.74 2of5 h ILE 165 N 0.00 1.64 -0.56 -0.55 1.08 -0.45 -0.40 117.51 118.27 2of5 h ILE 165 Ca 0.00 -1.95 0.11 0.00 -0.39 0.00 0.00 64.86 62.63 2of5 h ILE 165 Cb 0.88 2.95 -0.11 0.00 -3.07 0.00 0.00 36.82 37.47 2of5 h ILE 165 CO 0.00 0.51 -0.29 0.03 -0.69 0.00 0.00 178.15 177.71 2of5 h ARG 166 N -0.76 -0.14 0.21 2.37 2.47 -0.39 0.26 114.38 118.39 2of5 h ARG 166 Ca -0.01 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2of5 h ARG 166 Cb 0.87 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 2of5 h ARG 166 CO 0.01 -0.09 -0.19 2.35 0.56 0.00 0.00 179.97 182.61 2of5 h TRP 167 N -0.14 -0.53 -0.22 3.04 7.01 -1.32 0.46 115.95 124.25 2of5 h TRP 167 Ca 0.24 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.31 2of5 h TRP 167 Cb 0.53 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2of5 h TRP 167 CO -0.58 -0.26 0.53 -0.09 -2.79 0.00 0.00 178.44 175.25 2of5 h ARG 168 N -0.39 0.00 0.00 2.65 1.12 -0.60 -0.45 114.38 116.71 2of5 h ARG 168 Ca -0.03 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.73 2of5 h ARG 168 Cb 0.34 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.28 2of5 h ARG 168 CO -0.01 0.00 -0.75 1.96 -3.11 0.00 0.00 179.97 178.06 2of5 h GLN 169 N 0.00 0.00 -0.60 0.20 4.20 -0.48 -2.70 115.11 115.73 2of5 h GLN 169 Ca 0.11 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.94 2of5 h GLN 169 Cb 1.17 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.85 2of5 h GLN 169 CO -0.00 0.68 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.71 2of5 h ARG 170 N -1.00 0.08 -0.02 1.46 2.43 0.15 -2.71 114.38 114.77 2of5 h ARG 170 Ca -0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2of5 h ARG 170 Cb 0.95 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2of5 h ARG 170 CO -0.11 0.05 -0.12 1.19 -1.51 0.00 0.00 179.97 179.48 2of5 n PHE 171 N -5.31 0.00 0.00 2.20 3.01 -0.72 -5.04 117.46 111.61 2of5 n PHE 171 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2of5 n PHE 171 Cb 0.34 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2of5 n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2of5 n GLY 172 N 1.31 2.97 0.31 1.37 0.00 -1.02 -1.11 105.19 109.02 2of5 n GLY 172 Ca 0.14 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.32 2of5 n GLY 172 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2of5 h LYS 173 N 0.00 0.00 0.00 1.61 2.10 -1.93 -0.68 116.57 117.67 2of5 h LYS 173 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2of5 h LYS 173 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2of5 h LYS 173 CO 0.00 0.00 -0.04 1.96 -2.00 0.00 0.00 179.45 179.37 2of5 h GLN 174 N 0.00 0.00 -4.88 0.07 1.08 -1.51 -3.36 115.11 106.51 2of5 h GLN 174 Ca 0.05 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.53 2of5 h GLN 174 Cb 0.23 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 27.48 2of5 h GLN 174 CO -0.00 0.04 1.12 0.00 -0.95 0.00 0.00 178.83 179.04 2of5 s ALA 175 N -4.03 3.70 0.25 3.87 0.00 -0.26 -4.84 121.76 120.45 2of5 s ALA 175 Ca -0.02 -3.09 0.07 0.00 0.00 0.00 0.00 51.96 48.92 2of5 s ALA 175 Cb 0.12 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 2of5 s ALA 175 CO 0.51 -2.87 0.22 0.95 0.00 0.00 0.00 175.76 174.57 2of5 s THR 176 N 2.10 4.50 0.51 0.00 -4.23 -1.26 -4.21 115.64 113.05 2of5 s THR 176 Ca 0.38 -1.36 0.25 0.00 -1.18 0.00 0.00 61.69 59.78 2of5 s THR 176 Cb -0.04 -3.44 0.41 0.00 1.34 0.00 0.00 72.50 70.78 2of5 s THR 176 CO -0.04 -0.34 1.94 -0.26 -0.54 0.00 0.00 174.62 175.37 2of5 h PHE 177 N 1.45 0.12 0.90 3.99 0.04 0.95 0.56 116.94 124.95 2of5 h PHE 177 Ca -0.49 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.24 2of5 h PHE 177 Cb 1.24 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 39.36 2of5 h PHE 177 CO 0.54 0.04 -0.43 0.37 -0.60 0.00 0.00 178.31 178.23 2of5 h GLN 178 N 0.10 -1.17 -0.01 1.51 5.75 -0.71 0.18 115.11 120.76 2of5 h GLN 178 Ca 0.34 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 2of5 h GLN 178 Cb 1.20 0.27 -0.00 0.00 1.07 0.00 0.00 27.48 30.02 2of5 h GLN 178 CO -0.04 -0.78 0.03 0.66 -2.65 0.00 0.00 178.83 176.05 2of5 h SER 179 N -1.30 0.00 0.33 -0.69 4.64 -1.48 0.58 113.55 115.63 2of5 h SER 179 Ca -0.12 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.02 2of5 h SER 179 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2of5 h SER 179 CO 0.20 0.00 -0.72 0.25 -0.87 0.00 0.00 176.83 175.69 2of5 h LEU 180 N 0.00 0.40 -0.29 5.97 6.46 -0.28 -2.73 115.31 124.84 2of5 h LEU 180 Ca 0.01 -0.26 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 2of5 h LEU 180 Cb 0.06 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2of5 h LEU 180 CO -0.00 0.99 0.01 -0.74 -0.62 0.00 0.00 178.44 178.07 2of5 h HIS 181 N 0.23 0.56 -0.70 1.25 2.76 0.32 -2.93 115.15 116.63 2of5 h HIS 181 Ca -0.03 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.04 2of5 h HIS 181 Cb 1.28 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 2of5 h HIS 181 CO 0.04 0.65 0.40 -0.91 -1.30 0.00 0.00 177.93 176.80 2of5 h ASN 182 N 0.31 0.86 -0.74 3.26 2.35 -1.35 -2.21 115.58 118.05 2of5 h ASN 182 Ca 0.08 -0.08 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2of5 h ASN 182 Cb 0.42 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.49 2of5 h ASN 182 CO 0.01 0.69 0.34 1.23 -1.65 0.00 0.00 177.43 178.05 2of5 h GLY 183 N 0.95 1.12 0.75 2.83 0.00 -1.38 -0.98 103.07 106.37 2of5 h GLY 183 Ca 0.25 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.43 2of5 h GLY 183 CO -0.04 -0.02 0.26 1.41 0.00 0.00 0.00 176.54 178.15 2of5 h LEU 184 N 0.53 0.38 0.18 3.11 3.38 -1.22 -2.99 115.31 118.68 2of5 h LEU 184 Ca 0.39 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2of5 h LEU 184 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2of5 h LEU 184 CO -0.34 0.27 -0.09 0.03 0.09 0.00 0.00 178.44 178.40 2of5 h ARG 185 N 0.51 -0.23 0.00 1.13 3.08 -1.28 -1.88 114.38 115.71 2of5 h ARG 185 Ca 0.22 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2of5 h ARG 185 Cb 0.11 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2of5 h ARG 185 CO -0.14 0.12 0.69 0.00 -1.07 0.00 0.00 179.97 179.57 2of5 h ALA 186 N 0.08 1.66 -0.26 0.04 0.00 -1.09 1.20 119.26 120.89 2of5 h ALA 186 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2of5 h ALA 186 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2of5 h ALA 186 CO 0.04 -0.66 0.00 1.55 0.00 0.00 0.00 179.25 180.18 2of5 n VAL 187 N -2.53 1.61 -2.57 0.00 3.14 -1.14 -5.00 118.33 111.84 2of5 n VAL 187 Ca -0.01 -1.46 -0.05 0.00 -2.96 0.00 0.00 64.34 59.86 2of5 n VAL 187 Cb 0.71 0.13 0.03 0.00 -1.06 0.00 0.00 33.84 33.64 2of5 n VAL 187 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2of5 n GLU 188 N -0.14 -1.18 -3.94 1.45 -0.58 0.41 -5.03 120.64 111.63 2of5 n GLU 188 Ca 0.15 0.81 -0.09 0.00 -0.42 0.00 0.00 57.16 57.62 2of5 n GLU 188 Cb 0.62 -4.26 -0.09 0.00 -0.57 0.00 0.00 31.44 27.15 2of5 n GLU 188 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2of5 s VAL 189 N -3.14 0.16 -0.53 2.62 1.01 -0.71 -5.01 120.40 114.79 2of5 s VAL 189 Ca 0.16 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2of5 s VAL 189 Cb -0.02 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.23 2of5 s VAL 189 CO 0.48 -0.71 1.02 -0.62 0.00 0.00 0.00 175.10 175.27 2of5 s ASP 190 N -2.51 6.43 0.00 3.32 3.68 -1.26 -4.06 116.67 122.26 2of5 s ASP 190 Ca 0.01 -0.06 0.00 0.00 2.13 0.00 0.00 52.55 54.62 2of5 s ASP 190 Cb 0.03 -2.48 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 2of5 s ASP 190 CO -0.08 -1.26 0.07 -2.65 0.13 0.00 0.00 175.17 171.38 2of5 n PRO 191 N 7.68 0.05 0.06 4.34 -0.02 -1.26 -2.41 135.00 143.44 2of5 n PRO 191 Ca 0.05 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 2of5 n PRO 191 Cb 0.48 -1.02 0.50 0.00 -0.02 0.00 0.00 33.50 33.44 2of5 n PRO 191 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2of5 n SER 192 N -0.52 0.42 -0.27 2.55 3.41 -1.26 -3.29 113.62 114.67 2of5 n SER 192 Ca 0.00 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.22 2of5 n SER 192 Cb 0.00 -0.66 0.21 0.00 -0.26 0.00 0.00 64.21 63.50 2of5 n SER 192 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2of5 h LEU 193 N 0.00 0.23 -1.66 1.04 3.38 -1.90 0.87 115.31 117.27 2of5 h LEU 193 Ca 0.00 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2of5 h LEU 193 Cb 0.60 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2of5 h LEU 193 CO 0.00 0.05 0.49 -0.07 0.09 0.00 0.00 178.44 179.00 2of5 h LEU 194 N 0.40 0.31 0.13 1.67 3.38 -1.85 -1.76 115.31 117.60 2of5 h LEU 194 Ca 0.44 0.02 -0.35 0.00 0.09 0.00 0.00 57.88 58.08 2of5 h LEU 194 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2of5 h LEU 194 CO -0.45 0.16 -1.89 -0.07 0.09 0.00 0.00 178.44 176.27 2of5 h LEU 195 N 0.33 0.43 0.00 1.67 3.38 -1.09 -3.16 115.31 116.88 2of5 h LEU 195 Ca 0.35 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2of5 h LEU 195 Cb 0.90 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2of5 h LEU 195 CO -0.10 1.76 0.00 1.41 0.09 0.00 0.00 178.44 181.60 2of5 n HIS 196 N -3.47 0.00 0.26 1.13 8.25 -0.58 -1.34 115.22 119.46 2of5 n HIS 196 Ca -0.28 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.21 2of5 n HIS 196 Cb 1.06 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.98 2of5 n HIS 196 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2of5 n MET 197 N -1.20 0.34 -3.20 -0.41 0.00 -0.69 -4.69 117.12 107.26 2of5 n MET 197 Ca 0.10 -0.79 -0.26 0.00 0.00 0.00 0.00 57.70 56.74 2of5 n MET 197 Cb 0.11 -1.09 -0.06 0.00 0.00 0.00 0.00 33.22 32.19 2of5 n MET 197 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2of5 n LEU 198 N 0.22 3.53 0.00 3.17 4.77 -0.45 -5.04 117.00 123.20 2of5 n LEU 198 Ca 0.03 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.57 2of5 n LEU 198 Cb 0.15 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2of5 n LEU 198 CO 0.05 2.19 0.07 -0.62 -1.33 0.00 0.00 177.39 177.75