#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 0.00 0.71 0.61 3.06 -1.26 -4.73 119.36 117.75 2of5 n ILE 110 Ca 0.00 -0.17 0.04 0.00 -2.50 0.00 0.00 62.75 60.13 2of5 n ILE 110 Cb 0.00 0.93 0.26 0.00 0.54 0.00 0.00 39.64 41.37 2of5 n ILE 110 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2of5 n LEU 111 N -0.39 0.00 -0.17 9.51 4.77 -1.26 -1.84 117.00 127.62 2of5 n LEU 111 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2of5 n LEU 111 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2of5 n LEU 111 CO 0.00 0.00 0.12 0.59 -1.33 0.00 0.00 177.39 176.77 2of5 n ASN 112 N -0.88 1.10 -4.90 -1.43 4.13 -1.26 -1.05 115.26 110.97 2of5 n ASN 112 Ca 0.07 -1.05 -0.32 0.00 1.68 0.00 0.00 54.58 54.95 2of5 n ASN 112 Cb 0.03 0.72 -0.05 0.00 -1.54 0.00 0.00 39.78 38.94 2of5 n ASN 112 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2of5 s SER 113 N -1.99 6.42 0.47 6.41 1.04 -0.77 -4.83 113.70 120.46 2of5 s SER 113 Ca 0.09 0.42 -0.21 0.00 0.48 0.00 0.00 55.95 56.72 2of5 s SER 113 Cb 0.11 -2.03 -0.08 0.00 0.10 0.00 0.00 66.02 64.12 2of5 s SER 113 CO 0.45 0.18 1.06 -0.44 0.98 0.00 0.00 173.24 175.47 2of5 s SER 114 N -2.21 6.36 0.47 7.02 0.01 -1.26 -2.73 113.70 121.36 2of5 s SER 114 Ca 0.33 2.00 -0.22 0.00 1.31 0.00 0.00 55.95 59.37 2of5 s SER 114 Cb -0.13 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 2of5 s SER 114 CO 0.23 -0.77 1.11 -2.16 0.41 0.00 0.00 173.24 172.06 2of5 s PRO 115 N -3.04 3.77 0.86 12.44 0.04 -1.26 -4.92 135.00 142.88 2of5 s PRO 115 Ca 0.65 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 2of5 s PRO 115 Cb -0.19 -2.31 0.12 0.00 0.04 0.00 0.00 34.50 32.16 2of5 s PRO 115 CO 0.23 -0.50 1.22 -1.54 0.04 0.00 0.00 177.00 176.45 2of5 s SER 116 N -1.58 4.07 0.05 6.66 1.04 -1.26 -4.80 113.70 117.88 2of5 s SER 116 Ca 0.65 0.62 -0.24 0.00 0.48 0.00 0.00 55.95 57.46 2of5 s SER 116 Cb -0.24 -0.97 -0.12 0.00 0.10 0.00 0.00 66.02 64.79 2of5 s SER 116 CO 0.29 -2.16 1.37 0.44 0.98 0.00 0.00 173.24 174.15 2of5 h ASP 117 N -1.24 -0.91 -1.02 7.02 3.32 -1.99 0.73 116.42 122.33 2of5 h ASP 117 Ca -0.45 0.07 0.24 0.00 0.02 0.00 0.00 57.03 56.91 2of5 h ASP 117 Cb 1.30 0.30 -0.11 0.00 0.22 0.00 0.00 39.33 41.04 2of5 h ASP 117 CO 0.57 -0.45 0.62 -0.09 -1.72 0.00 0.00 179.24 178.18 2of5 h ARG 118 N -0.68 0.53 -0.54 3.56 2.43 -2.00 0.47 114.38 118.16 2of5 h ARG 118 Ca -0.04 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2of5 h ARG 118 Cb 0.58 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2of5 h ARG 118 CO -0.03 0.35 0.03 1.96 -1.51 0.00 0.00 179.97 180.77 2of5 h GLN 119 N 0.55 0.93 -0.78 0.20 4.20 -1.77 -2.24 115.11 116.20 2of5 h GLN 119 Ca 0.62 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 2of5 h GLN 119 Cb 1.27 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 2of5 h GLN 119 CO -0.40 0.93 0.38 0.82 -0.67 0.00 0.00 178.83 179.89 2of5 h ILE 120 N 0.81 1.24 -0.54 2.54 2.04 0.13 -1.61 117.51 122.13 2of5 h ILE 120 Ca 0.16 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.36 2of5 h ILE 120 Cb 0.49 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 2of5 h ILE 120 CO 0.02 0.29 0.32 -1.13 0.00 0.00 0.00 178.15 177.65 2of5 h ASN 121 N 1.11 0.51 -0.46 1.72 -1.24 -0.83 -0.70 115.58 115.68 2of5 h ASN 121 Ca 0.27 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.22 2of5 h ASN 121 Cb 0.11 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2of5 h ASN 121 CO -0.03 0.36 0.03 1.56 -1.29 0.00 0.00 177.43 178.05 2of5 h GLN 122 N 0.63 0.80 0.51 6.67 4.20 -0.99 -2.32 115.11 124.60 2of5 h GLN 122 Ca 0.22 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2of5 h GLN 122 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2of5 h GLN 122 CO -0.10 0.84 -0.33 1.25 -0.67 0.00 0.00 178.83 179.82 2of5 h LEU 123 N 0.66 -0.83 -0.80 1.46 5.85 -1.07 -2.85 115.31 117.74 2of5 h LEU 123 Ca 0.13 0.05 0.19 0.00 0.84 0.00 0.00 57.88 59.10 2of5 h LEU 123 Cb 0.46 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2of5 h LEU 123 CO 0.02 -0.51 0.06 0.00 -0.34 0.00 0.00 178.44 177.67 2of5 h ALA 124 N -0.38 0.92 -0.77 1.25 0.00 -1.03 0.12 119.26 119.36 2of5 h ALA 124 Ca -0.06 0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.31 2of5 h ALA 124 Cb 0.66 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2of5 h ALA 124 CO 0.05 -0.43 0.55 1.96 0.00 0.00 0.00 179.25 181.37 2of5 h GLN 125 N 0.13 0.06 -0.36 0.00 4.20 -1.17 -1.51 115.11 116.47 2of5 h GLN 125 Ca 0.45 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2of5 h GLN 125 Cb 0.83 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2of5 h GLN 125 CO -0.67 0.04 0.00 0.54 -0.67 0.00 0.00 178.83 178.07 2of5 n ARG 126 N -4.34 2.16 -4.14 1.46 1.74 0.41 -4.91 116.66 109.04 2of5 n ARG 126 Ca 0.16 -1.77 -0.35 0.00 -0.77 0.00 0.00 57.85 55.11 2of5 n ARG 126 Cb 0.80 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 2of5 n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2of5 s LEU 127 N -1.36 3.87 0.00 0.55 1.43 -0.57 -5.09 118.68 117.51 2of5 s LEU 127 Ca 0.35 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2of5 s LEU 127 Cb 0.20 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.49 2of5 s LEU 127 CO 0.27 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.80 2of5 n GLY 128 N 2.47 0.53 0.19 -3.19 0.00 -1.26 -4.90 105.19 99.03 2of5 n GLY 128 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 2of5 n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2of5 h PRO 129 N 0.00 0.05 0.00 1.61 0.13 -2.02 -3.14 132.00 128.63 2of5 h PRO 129 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2of5 h PRO 129 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2of5 h PRO 129 CO 0.00 0.42 0.01 -0.85 -0.23 0.00 0.00 178.00 177.35 2of5 n GLU 130 N -4.09 0.00 0.13 0.86 -0.00 -1.26 -2.88 120.64 113.40 2of5 n GLU 130 Ca -0.02 0.32 -0.14 0.00 -0.00 0.00 0.00 57.16 57.33 2of5 n GLU 130 Cb 0.42 -1.51 -0.08 0.00 -0.00 0.00 0.00 31.44 30.27 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 0.00 -0.26 -0.34 -1.84 5.08 -1.89 0.14 115.95 116.84 2of5 h TRP 131 Ca 0.00 -0.01 0.06 0.00 1.08 0.00 0.00 58.89 60.02 2of5 h TRP 131 Cb 0.02 0.09 -0.08 0.00 -3.00 0.00 0.00 29.16 26.18 2of5 h TRP 131 CO 0.00 -0.09 -0.46 0.93 -1.28 0.00 0.00 178.44 177.54 2of5 h GLU 132 N -0.37 -0.38 -0.76 0.12 5.08 -1.82 0.23 114.58 116.68 2of5 h GLU 132 Ca -0.03 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2of5 h GLU 132 Cb 0.29 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 2of5 h GLU 132 CO 0.05 -0.25 0.44 -1.35 -1.00 0.00 0.00 179.01 176.90 2of5 h PRO 133 N -0.39 0.78 0.21 2.33 0.11 -1.73 -2.63 132.00 130.68 2of5 h PRO 133 Ca 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2of5 h PRO 133 Cb 0.60 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2of5 h PRO 133 CO -0.54 0.52 -0.23 1.98 -0.21 0.00 0.00 178.00 179.52 2of5 h MET 134 N 0.81 -0.43 -0.34 1.05 4.05 0.15 -1.56 114.93 118.66 2of5 h MET 134 Ca 0.34 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.89 2of5 h MET 134 Cb 0.20 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2of5 h MET 134 CO -0.19 -0.29 0.55 -0.39 0.23 0.00 0.00 176.91 176.83 2of5 h VAL 135 N -0.44 0.19 0.16 -5.77 -1.51 -0.48 0.11 116.25 108.50 2of5 h VAL 135 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2of5 h VAL 135 Cb 0.39 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 2of5 h VAL 135 CO -0.04 0.00 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.15 2of5 h LEU 136 N 0.00 -0.18 0.00 4.19 3.38 -0.94 -1.83 115.31 119.93 2of5 h LEU 136 Ca 0.16 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2of5 h LEU 136 Cb 1.26 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2of5 h LEU 136 CO -0.00 0.26 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 2of5 n SER 137 N -4.99 0.00 -0.07 -0.43 3.41 0.34 -1.80 113.62 110.08 2of5 n SER 137 Ca -0.09 -0.45 -0.06 0.00 -0.26 0.00 0.00 58.87 58.01 2of5 n SER 137 Cb 0.25 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.07 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 -0.87 0.00 0.00 1.04 4.77 -0.92 -4.85 117.00 116.18 2of5 n LEU 138 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2of5 n LEU 138 Cb 0.03 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2of5 n LEU 138 CO 0.05 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2of5 n GLY 139 N 1.93 -0.74 3.99 -0.72 0.00 -0.74 -5.09 105.19 103.82 2of5 n GLY 139 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 3.35 0.39 0.99 1.43 -0.85 -5.04 118.68 118.95 2of5 s LEU 140 Ca 0.00 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2of5 s LEU 140 Cb 0.00 -2.65 -0.07 0.00 0.03 0.00 0.00 46.19 43.51 2of5 s LEU 140 CO 0.00 -1.11 0.04 -0.94 0.23 0.00 0.00 176.35 174.57 2of5 s SER 141 N -4.45 4.06 0.40 2.29 1.04 -1.26 -4.56 113.70 111.22 2of5 s SER 141 Ca 0.58 -1.20 0.16 0.00 0.48 0.00 0.00 55.95 55.97 2of5 s SER 141 Cb -0.09 -0.44 1.03 0.00 0.10 0.00 0.00 66.02 66.62 2of5 s SER 141 CO 0.37 -0.40 1.83 1.56 0.98 0.00 0.00 173.24 177.59 2of5 h GLN 142 N 1.72 0.45 -0.01 4.02 1.08 -1.99 0.50 115.11 120.89 2of5 h GLN 142 Ca -0.43 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 56.75 2of5 h GLN 142 Cb 1.25 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2of5 h GLN 142 CO 0.74 0.30 -0.03 1.15 -0.95 0.00 0.00 178.83 180.04 2of5 h THR 143 N 0.47 0.93 -0.23 -0.54 2.02 -1.98 0.25 112.91 113.83 2of5 h THR 143 Ca 0.50 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.71 2of5 h THR 143 Cb 1.16 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2of5 h THR 143 CO -0.22 0.00 0.04 0.44 0.37 0.00 0.00 175.52 176.15 2of5 h ASP 144 N -0.04 0.00 -0.24 4.18 3.32 -1.30 0.18 116.42 122.52 2of5 h ASP 144 Ca 0.01 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2of5 h ASP 144 Cb 0.06 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2of5 h ASP 144 CO -0.03 0.03 0.15 0.40 -1.72 0.00 0.00 179.24 178.07 2of5 h ILE 145 N 0.13 1.09 -0.82 0.35 2.04 -1.21 -0.80 117.51 118.29 2of5 h ILE 145 Ca 0.11 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2of5 h ILE 145 Cb 0.11 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2of5 h ILE 145 CO -0.14 0.08 0.53 1.88 0.00 0.00 0.00 178.15 180.50 2of5 h TYR 146 N 0.31 0.90 0.00 1.37 0.05 0.07 0.28 116.97 119.96 2of5 h TYR 146 Ca 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2of5 h TYR 146 Cb 0.00 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 2of5 h TYR 146 CO -0.05 0.47 -0.07 0.00 -1.05 0.00 0.00 178.16 177.46 2of5 h ARG 147 N 0.89 0.00 0.11 4.88 3.08 0.08 -0.23 114.38 123.19 2of5 h ARG 147 Ca 0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2of5 h ARG 147 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2of5 h ARG 147 CO -0.13 0.07 -0.05 0.00 -1.07 0.00 0.00 179.97 178.79 2of5 h LYS 149 N -0.91 0.13 0.64 0.00 1.57 -1.16 -1.33 116.57 115.51 2of5 h LYS 149 Ca -0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2of5 h LYS 149 Cb 0.53 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.81 2of5 h LYS 149 CO 0.03 0.09 -0.31 0.00 -0.57 0.00 0.00 179.45 178.69 2of5 h ALA 150 N 1.80 -0.86 0.00 3.86 0.00 -0.99 -2.74 119.26 120.33 2of5 h ALA 150 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2of5 h ALA 150 Cb 0.53 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2of5 h ALA 150 CO -0.02 -0.95 0.00 -0.91 0.00 0.00 0.00 179.25 177.37 2of5 h ASN 151 N -0.93 0.00 -1.75 0.00 2.35 -0.60 -3.31 115.58 111.34 2of5 h ASN 151 Ca -0.09 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.15 2of5 h ASN 151 Cb 0.68 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.70 2of5 h ASN 151 CO 0.14 0.00 -1.00 1.41 -1.65 0.00 0.00 177.43 176.33 2of5 n HIS 152 N -2.42 -0.88 0.06 1.19 8.25 -0.82 -5.00 115.22 115.60 2of5 n HIS 152 Ca 0.01 -3.26 -0.15 0.00 -0.26 0.00 0.00 57.72 54.06 2of5 n HIS 152 Cb 0.19 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 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 4.17 -0.62 -6.41 -0.41 0.13 -1.59 -3.40 132.00 123.88 2of5 h PRO 153 Ca 0.06 0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.69 2of5 h PRO 153 Cb 0.91 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 2of5 h PRO 153 CO 0.43 -0.41 -0.04 -1.01 -0.23 0.00 0.00 178.00 176.73 2of5 s HIS 154 N -5.54 3.57 0.00 1.56 3.76 -1.26 -4.81 115.29 112.57 2of5 s HIS 154 Ca -0.15 1.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.86 2of5 s HIS 154 Cb 0.06 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.34 2of5 s HIS 154 CO 0.56 0.37 0.00 -1.71 -0.85 0.00 0.00 174.74 173.11 2of5 n ASN 155 N 0.58 -2.00 -0.03 1.40 2.85 -1.26 -4.97 115.26 111.83 2of5 n ASN 155 Ca -0.03 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.25 2of5 n ASN 155 Cb 0.52 -1.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.41 2of5 n ASN 155 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2of5 h VAL 156 N 0.00 1.42 -0.69 3.44 2.07 -1.87 -3.35 116.25 117.27 2of5 h VAL 156 Ca 0.00 -2.38 0.09 0.00 0.82 0.00 0.00 66.70 65.23 2of5 h VAL 156 Cb 0.00 3.01 -0.10 0.00 -1.52 0.00 0.00 31.29 32.68 2of5 h VAL 156 CO 0.00 0.60 -0.32 1.67 0.02 0.00 0.00 177.57 179.54 2of5 n GLN 157 N -4.32 -0.21 0.00 1.57 -0.06 -1.26 0.19 117.38 113.29 2of5 n GLN 157 Ca -0.18 1.05 0.05 0.00 -2.00 0.00 0.00 57.00 55.92 2of5 n GLN 157 Cb 0.69 -1.55 0.45 0.00 -4.06 0.00 0.00 30.24 25.76 2of5 n GLN 157 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2of5 h SER 158 N 0.00 0.43 0.72 1.69 0.02 -1.94 -0.86 113.55 113.62 2of5 h SER 158 Ca 0.19 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2of5 h SER 158 Cb 0.36 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.80 2of5 h SER 158 CO -0.67 0.31 -0.35 1.56 -1.14 0.00 0.00 176.83 176.54 2of5 h GLN 159 N 0.51 -0.94 -0.24 3.45 4.20 0.20 -2.25 115.11 120.04 2of5 h GLN 159 Ca 0.16 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.99 2of5 h GLN 159 Cb 0.01 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2of5 h GLN 159 CO -0.04 -0.60 -0.11 0.28 -0.67 0.00 0.00 178.83 177.69 2of5 h VAL 160 N -1.08 0.64 -0.75 -0.54 2.07 -0.94 -0.80 116.25 114.85 2of5 h VAL 160 Ca -0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2of5 h VAL 160 Cb 0.77 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2of5 h VAL 160 CO 0.16 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.76 2of5 h VAL 161 N -0.08 0.95 0.22 2.57 2.07 -1.18 -1.13 116.25 119.68 2of5 h VAL 161 Ca 0.13 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2of5 h VAL 161 Cb 0.28 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2of5 h VAL 161 CO -0.30 0.14 -0.11 -0.08 0.02 0.00 0.00 177.57 177.24 2of5 h GLU 162 N 0.76 -0.29 -0.96 1.57 4.81 -0.76 0.75 114.58 120.46 2of5 h GLU 162 Ca 0.35 0.02 0.30 0.00 -0.13 0.00 0.00 59.36 59.89 2of5 h GLU 162 Cb 0.25 0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.53 2of5 h GLU 162 CO -0.21 -0.12 0.28 0.00 -0.73 0.00 0.00 179.01 178.23 2of5 h ALA 163 N 0.36 1.53 -0.18 2.92 0.00 -0.34 1.38 119.26 124.94 2of5 h ALA 163 Ca -0.03 0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 2of5 h ALA 163 Cb 0.30 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2of5 h ALA 163 CO 0.05 -0.63 -0.70 0.74 0.00 0.00 0.00 179.25 178.71 2of5 h PHE 164 N 0.11 1.05 -0.69 0.00 0.04 -0.42 0.70 116.94 117.73 2of5 h PHE 164 Ca 0.66 -0.44 -0.05 0.00 2.80 0.00 0.00 57.97 60.93 2of5 h PHE 164 Cb 1.48 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 39.43 2of5 h PHE 164 CO -0.25 1.27 0.22 0.82 -0.60 0.00 0.00 178.31 179.77 2of5 h ILE 165 N 0.52 1.25 0.22 -0.55 1.08 0.20 0.34 117.51 120.57 2of5 h ILE 165 Ca -0.04 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2of5 h ILE 165 Cb 1.33 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 2of5 h ILE 165 CO 0.15 0.33 -0.42 0.03 -0.69 0.00 0.00 178.15 177.55 2of5 h ARG 166 N 1.01 -0.70 0.10 2.37 2.47 0.19 -1.10 114.38 118.73 2of5 h ARG 166 Ca 0.22 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2of5 h ARG 166 Cb 0.28 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 2of5 h ARG 166 CO -0.01 -0.47 -0.21 2.35 0.56 0.00 0.00 179.97 182.20 2of5 h TRP 167 N -0.72 -0.59 -1.40 3.04 7.01 -0.24 -2.22 115.95 120.82 2of5 h TRP 167 Ca 0.00 0.01 0.41 0.00 2.11 0.00 0.00 58.89 61.42 2of5 h TRP 167 Cb 0.71 0.24 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 2of5 h TRP 167 CO -0.33 -0.25 1.01 -0.09 -2.79 0.00 0.00 178.44 176.00 2of5 h ARG 168 N -0.33 0.01 0.01 2.65 2.43 -0.85 -0.64 114.38 117.65 2of5 h ARG 168 Ca -0.01 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2of5 h ARG 168 Cb 0.32 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2of5 h ARG 168 CO -0.08 0.01 -0.53 1.96 -1.51 0.00 0.00 179.97 179.81 2of5 h GLN 169 N 0.01 0.34 0.00 0.20 4.20 -0.70 -2.77 115.11 116.37 2of5 h GLN 169 Ca 0.67 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2of5 h GLN 169 Cb 2.67 0.11 0.00 0.00 0.30 0.00 0.00 27.48 30.56 2of5 h GLN 169 CO -0.02 1.07 0.00 -0.09 -0.67 0.00 0.00 178.83 179.12 2of5 h ARG 170 N -0.24 0.00 0.00 1.46 2.43 -0.55 -3.13 114.38 114.35 2of5 h ARG 170 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2of5 h ARG 170 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2of5 h ARG 170 CO 0.10 0.00 -0.03 1.19 -1.51 0.00 0.00 179.97 179.73 2of5 n PHE 171 N -2.92 0.00 0.00 2.20 3.01 -0.96 -5.06 117.46 113.73 2of5 n PHE 171 Ca -0.00 -0.87 0.00 0.00 1.01 0.00 0.00 57.45 57.59 2of5 n PHE 171 Cb 0.23 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.23 0.40 0.30 1.37 0.00 -1.05 0.56 105.19 105.56 2of5 n GLY 172 Ca 0.13 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.94 -2.82 116.57 115.52 2of5 h LYS 173 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 2of5 h LYS 173 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2of5 h LYS 173 CO 0.00 0.00 -0.71 1.96 -2.00 0.00 0.00 179.45 178.70 2of5 h GLN 174 N 0.00 0.00 -5.64 0.07 4.20 -0.25 -3.41 115.11 110.08 2of5 h GLN 174 Ca 0.03 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.40 2of5 h GLN 174 Cb 0.17 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 2of5 h GLN 174 CO -0.00 0.52 0.97 0.00 -0.67 0.00 0.00 178.83 179.65 2of5 s ALA 175 N -2.93 1.83 0.37 3.87 0.00 -0.82 -4.75 121.76 119.33 2of5 s ALA 175 Ca 0.03 -1.87 0.07 0.00 0.00 0.00 0.00 51.96 50.19 2of5 s ALA 175 Cb 0.08 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.52 2of5 s ALA 175 CO 0.76 -4.88 -0.01 0.95 0.00 0.00 0.00 175.76 172.58 2of5 s THR 176 N 10.02 1.88 0.24 0.00 -4.23 -1.26 -4.02 115.64 118.27 2of5 s THR 176 Ca 0.68 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2of5 s THR 176 Cb -0.03 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.19 2of5 s THR 176 CO 0.05 -0.08 1.74 -0.26 -0.54 0.00 0.00 174.62 175.53 2of5 h PHE 177 N 1.94 0.55 -0.34 3.99 0.04 -1.61 0.83 116.94 122.34 2of5 h PHE 177 Ca -0.43 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.45 2of5 h PHE 177 Cb 1.24 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 39.18 2of5 h PHE 177 CO 0.71 0.11 -0.39 0.37 -0.60 0.00 0.00 178.31 178.50 2of5 h GLN 178 N 0.49 -0.32 -0.63 1.51 5.75 -1.40 0.72 115.11 121.22 2of5 h GLN 178 Ca 0.40 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 59.01 2of5 h GLN 178 Cb 0.57 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.13 2of5 h GLN 178 CO -0.37 -0.22 0.28 0.77 -2.65 0.00 0.00 178.83 176.65 2of5 h SER 179 N -0.33 0.34 -0.52 -0.69 0.02 -1.28 -1.08 113.55 110.01 2of5 h SER 179 Ca 0.14 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2of5 h SER 179 Cb 0.57 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2of5 h SER 179 CO -0.52 0.21 0.25 0.25 -1.14 0.00 0.00 176.83 175.87 2of5 h LEU 180 N 0.50 0.33 0.22 5.07 5.85 0.15 -0.77 115.31 126.66 2of5 h LEU 180 Ca 0.31 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 2of5 h LEU 180 Cb 0.32 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2of5 h LEU 180 CO -0.26 0.22 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.12 2of5 h HIS 181 N 0.47 -0.56 -1.00 1.25 2.76 0.15 0.05 115.15 118.28 2of5 h HIS 181 Ca 0.24 0.00 0.32 0.00 -2.20 0.00 0.00 60.37 58.73 2of5 h HIS 181 Cb 0.18 0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.21 2of5 h HIS 181 CO -0.12 -0.28 0.55 -0.91 -1.30 0.00 0.00 177.93 175.88 2of5 h ASN 182 N -0.42 0.49 -0.06 3.26 4.21 -1.10 0.19 115.58 122.14 2of5 h ASN 182 Ca -0.03 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2of5 h ASN 182 Cb 0.36 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2of5 h ASN 182 CO -0.02 -0.15 -0.00 1.23 -1.29 0.00 0.00 177.43 177.21 2of5 h GLY 183 N 0.31 0.12 0.06 2.83 0.00 -0.65 -1.16 103.07 104.58 2of5 h GLY 183 Ca 0.73 -0.09 0.21 0.00 0.00 0.00 0.00 47.33 48.18 2of5 h GLY 183 CO -0.62 0.08 0.62 1.41 0.00 0.00 0.00 176.54 178.03 2of5 h LEU 184 N -0.18 0.69 -0.04 3.11 3.38 0.13 -0.87 115.31 121.54 2of5 h LEU 184 Ca 0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2of5 h LEU 184 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2of5 h LEU 184 CO 0.00 0.21 -0.13 0.03 0.09 0.00 0.00 178.44 178.65 2of5 h ARG 185 N 0.65 0.15 0.00 1.13 3.08 -1.17 -2.27 114.38 115.94 2of5 h ARG 185 Ca 0.58 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2of5 h ARG 185 Cb 1.07 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2of5 h ARG 185 CO -0.37 0.75 0.42 0.00 -1.07 0.00 0.00 179.97 179.70 2of5 h ALA 186 N 0.40 1.41 -0.31 0.04 0.00 0.11 1.20 119.26 122.12 2of5 h ALA 186 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2of5 h ALA 186 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2of5 h ALA 186 CO 0.03 -0.41 0.00 1.55 0.00 0.00 0.00 179.25 180.41 2of5 n VAL 187 N -2.74 1.75 -3.18 0.00 3.14 -0.77 -5.02 118.33 111.51 2of5 n VAL 187 Ca -0.02 -1.49 -0.07 0.00 -2.96 0.00 0.00 64.34 59.81 2of5 n VAL 187 Cb 0.46 0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 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 -0.01 -1.52 -3.72 1.45 1.02 0.41 -5.01 120.64 113.26 2of5 n GLU 188 Ca 0.18 1.45 -0.13 0.00 -0.02 0.00 0.00 57.16 58.63 2of5 n GLU 188 Cb 0.70 -5.02 -0.10 0.00 -0.02 0.00 0.00 31.44 27.01 2of5 n GLU 188 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2of5 s VAL 189 N -2.89 0.00 -0.02 2.62 1.01 -0.87 -5.01 120.40 115.24 2of5 s VAL 189 Ca 0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 2of5 s VAL 189 Cb -0.01 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 2of5 s VAL 189 CO 0.78 -0.01 1.75 -0.62 0.00 0.00 0.00 175.10 177.01 2of5 s ASP 190 N 0.17 6.60 0.00 3.32 3.68 -1.26 -4.13 116.67 125.04 2of5 s ASP 190 Ca -0.01 2.39 0.00 0.00 2.13 0.00 0.00 52.55 57.06 2of5 s ASP 190 Cb -0.03 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 2of5 s ASP 190 CO 0.01 -0.96 0.15 -2.65 0.13 0.00 0.00 175.17 171.85 2of5 n PRO 191 N 7.19 0.27 -0.03 4.34 -0.02 -1.26 -2.77 135.00 142.72 2of5 n PRO 191 Ca 0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 2of5 n PRO 191 Cb 0.42 -1.11 -0.08 0.00 -0.02 0.00 0.00 33.50 32.71 2of5 n PRO 191 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2of5 h SER 192 N 0.63 0.74 -0.83 2.55 4.64 -2.01 -3.27 113.55 116.00 2of5 h SER 192 Ca 0.00 -0.64 0.07 0.00 -0.47 0.00 0.00 61.79 60.76 2of5 h SER 192 Cb 0.11 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 61.89 2of5 h SER 192 CO 0.00 1.26 -0.49 0.18 -0.87 0.00 0.00 176.83 176.91 2of5 n LEU 193 N -4.13 -0.88 -0.11 5.97 4.77 -1.11 -0.65 117.00 120.85 2of5 n LEU 193 Ca -0.08 1.54 -0.06 0.00 -0.03 0.00 0.00 56.01 57.38 2of5 n LEU 193 Cb 0.65 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2of5 n LEU 193 CO 0.49 -1.24 0.50 -0.07 -1.33 0.00 0.00 177.39 175.74 2of5 h LEU 194 N 0.00 -0.93 -0.18 2.23 3.38 -1.84 0.49 115.31 118.47 2of5 h LEU 194 Ca 0.13 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2of5 h LEU 194 Cb 0.34 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2of5 h LEU 194 CO -0.78 -0.16 -0.22 0.25 0.09 0.00 0.00 178.44 177.61 2of5 h LEU 195 N -0.12 -0.70 -0.15 1.67 6.46 -1.20 -2.33 115.31 118.93 2of5 h LEU 195 Ca 0.05 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2of5 h LEU 195 Cb 0.25 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2of5 h LEU 195 CO -0.34 -0.27 0.09 0.45 -0.62 0.00 0.00 178.44 177.76 2of5 h HIS 196 N -0.26 0.19 0.00 1.25 3.86 -0.51 -0.76 115.15 118.92 2of5 h HIS 196 Ca 0.12 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2of5 h HIS 196 Cb 0.43 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2of5 h HIS 196 CO -0.35 0.16 0.00 0.00 0.86 0.00 0.00 177.93 178.60 2of5 n MET 197 N -4.96 0.21 -2.67 2.45 0.00 0.17 -2.37 117.12 109.95 2of5 n MET 197 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.36 2of5 n MET 197 Cb 0.05 -1.45 -0.01 0.00 0.00 0.00 0.00 33.22 31.80 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 -0.95 5.16 0.00 3.17 4.77 -0.29 -5.04 117.00 123.82 2of5 n LEU 198 Ca 0.04 -5.43 0.00 0.00 -0.03 0.00 0.00 56.01 50.60 2of5 n LEU 198 Cb 0.02 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2of5 n LEU 198 CO 0.03 2.23 0.00 -0.62 -1.33 0.00 0.00 177.39 177.71