#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk8 s SER 112 N 0.00 7.38 0.74 1.61 0.01 -1.26 -5.03 113.70 117.14 1dk8 s SER 112 Ca 0.00 1.64 -0.14 0.00 1.31 0.00 0.00 55.95 58.76 1dk8 s SER 112 Cb 0.00 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.75 1dk8 s SER 112 CO 0.00 0.05 1.17 0.00 0.41 0.00 0.00 173.24 174.87 1dk8 s ALA 113 N -0.39 2.14 -0.39 1.44 0.00 -1.26 -5.03 121.76 118.28 1dk8 s ALA 113 Ca 0.41 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1dk8 s ALA 113 Cb -0.22 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1dk8 s ALA 113 CO 0.27 -1.82 0.20 -1.54 0.00 0.00 0.00 175.76 172.87 1dk8 s SER 114 N -2.32 3.51 0.47 0.00 1.04 -1.26 -5.12 113.70 110.02 1dk8 s SER 114 Ca 0.71 -2.27 -0.24 0.00 0.48 0.00 0.00 55.95 54.63 1dk8 s SER 114 Cb -0.25 -0.79 -0.08 0.00 0.10 0.00 0.00 66.02 64.99 1dk8 s SER 114 CO 0.46 -0.31 1.26 -2.65 0.98 0.00 0.00 173.24 172.98 1dk8 n PRO 115 N 3.98 1.77 -2.75 4.02 -0.02 -1.26 -4.96 135.00 135.79 1dk8 n PRO 115 Ca 0.07 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1dk8 n PRO 115 Cb 0.37 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1dk8 n PRO 115 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1dk8 s THR 116 N -1.25 4.65 0.30 3.45 2.01 -1.26 -4.98 115.64 118.55 1dk8 s THR 116 Ca 0.65 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 64.38 1dk8 s THR 116 Cb -0.47 -4.30 -0.13 0.00 0.01 0.00 0.00 72.50 67.61 1dk8 s THR 116 CO 0.55 0.27 1.35 -2.65 -0.69 0.00 0.00 174.62 173.44 1dk8 n PRO 117 N 3.17 2.12 -0.21 4.92 -0.02 -1.26 -4.76 135.00 138.96 1dk8 n PRO 117 Ca 0.03 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1dk8 n PRO 117 Cb 0.50 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1dk8 n PRO 117 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1dk8 h PRO 118 N 3.29 -0.00 -0.74 0.52 0.11 -2.00 -0.84 132.00 132.34 1dk8 h PRO 118 Ca -0.46 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1dk8 h PRO 118 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 1dk8 h PRO 118 CO 0.68 -0.00 0.49 0.10 -0.21 0.00 0.00 178.00 179.06 1dk8 h TYR 119 N -0.00 0.58 -0.04 0.65 -0.00 -1.93 -0.10 116.97 116.13 1dk8 h TYR 119 Ca 0.30 0.02 -0.20 0.00 0.00 0.00 0.00 58.73 58.84 1dk8 h TYR 119 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 36.73 37.00 1dk8 h TYR 119 CO -0.51 0.25 -0.82 1.25 -0.00 0.00 0.00 178.16 178.33 1dk8 h LEU 120 N 0.52 0.48 -1.08 0.10 6.46 -1.53 -2.82 115.31 117.45 1dk8 h LEU 120 Ca 0.35 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1dk8 h LEU 120 Cb 0.65 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1dk8 h LEU 120 CO -0.12 1.12 0.32 0.11 -0.62 0.00 0.00 178.44 179.24 1dk8 h LYS 121 N 0.25 0.97 0.00 1.25 1.57 -0.34 -1.73 116.57 118.54 1dk8 h LYS 121 Ca -0.05 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1dk8 h LYS 121 Cb 1.42 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1dk8 h LYS 121 CO 0.14 0.75 -0.23 -1.49 -0.57 0.00 0.00 179.45 178.05 1dk8 h TRP 122 N 0.96 0.00 0.00 -1.35 6.55 -1.04 -1.66 115.95 119.42 1dk8 h TRP 122 Ca 0.24 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.03 1dk8 h TRP 122 Cb 0.11 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 1dk8 h TRP 122 CO 0.01 0.23 -0.22 0.00 -1.05 0.00 0.00 178.44 177.41 1dk8 h ALA 123 N 1.77 0.92 -0.10 1.49 0.00 -1.13 -3.26 119.26 118.94 1dk8 h ALA 123 Ca -0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1dk8 h ALA 123 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dk8 h ALA 123 CO 0.03 0.28 -0.60 0.93 0.00 0.00 0.00 179.25 179.89 1dk8 h GLU 124 N 0.00 0.34 -1.76 0.00 5.08 -0.87 -3.47 114.58 113.91 1dk8 h GLU 124 Ca -0.00 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1dk8 h GLU 124 Cb 0.96 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 30.03 1dk8 h GLU 124 CO 0.03 0.84 0.42 -1.54 -1.00 0.00 0.00 179.01 177.76 1dk8 s SER 125 N -6.91 -0.47 0.39 1.42 1.04 -1.20 -5.01 113.70 102.97 1dk8 s SER 125 Ca -0.05 0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.97 1dk8 s SER 125 Cb 0.12 0.39 0.81 0.00 0.10 0.00 0.00 66.02 67.43 1dk8 s SER 125 CO 0.81 -0.45 1.92 0.25 0.98 0.00 0.00 173.24 176.75 1dk8 h LEU 126 N 2.67 0.17 -0.61 2.42 5.85 -1.91 -2.19 115.31 121.72 1dk8 h LEU 126 Ca -0.22 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1dk8 h LEU 126 Cb 1.16 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1dk8 h LEU 126 CO 0.34 0.35 0.40 -0.74 -0.34 0.00 0.00 178.44 178.45 1dk8 h HIS 127 N 0.17 0.75 -0.60 1.25 2.76 -1.94 -0.42 115.15 117.11 1dk8 h HIS 127 Ca 0.03 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 1dk8 h HIS 127 Cb 0.39 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1dk8 h HIS 127 CO 0.00 0.46 -0.01 0.77 -1.30 0.00 0.00 177.93 177.85 1dk8 h SER 128 N 0.80 1.05 -0.58 3.26 0.02 -1.69 -2.52 113.55 113.90 1dk8 h SER 128 Ca 0.23 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1dk8 h SER 128 Cb -0.06 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.17 1dk8 h SER 128 CO -0.07 1.11 0.29 0.25 -1.14 0.00 0.00 176.83 177.28 1dk8 h LEU 129 N 0.97 0.74 0.00 5.07 5.85 -0.95 -2.52 115.31 124.47 1dk8 h LEU 129 Ca 0.17 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1dk8 h LEU 129 Cb 0.58 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1dk8 h LEU 129 CO 0.03 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 178.96 1dk8 n LEU 130 N -4.56 0.00 -0.61 2.25 4.77 -0.21 -2.79 117.00 115.85 1dk8 n LEU 130 Ca 0.03 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1dk8 n LEU 130 Cb 0.11 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1dk8 n LEU 130 CO 0.37 0.00 0.44 -0.67 -1.33 0.00 0.00 177.39 176.20 1dk8 n ASP 131 N -0.79 2.22 -4.21 -1.43 2.03 -0.95 -4.92 116.55 108.50 1dk8 n ASP 131 Ca 0.14 -1.61 -0.33 0.00 0.52 0.00 0.00 54.79 53.51 1dk8 n ASP 131 Cb 0.06 0.19 -0.16 0.00 -0.72 0.00 0.00 41.12 40.50 1dk8 n ASP 131 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dk8 s ASP 132 N -1.74 3.49 0.22 1.67 -1.08 -1.12 -5.02 116.67 113.08 1dk8 s ASP 132 Ca 0.19 -0.53 -0.08 0.00 -0.52 0.00 0.00 52.55 51.60 1dk8 s ASP 132 Cb 0.15 -1.54 0.28 0.00 -1.46 0.00 0.00 42.92 40.35 1dk8 s ASP 132 CO 0.32 0.05 1.80 1.56 0.52 0.00 0.00 175.17 179.41 1dk8 h GLN 133 N 7.56 0.64 -0.65 4.34 1.08 -1.91 0.39 115.11 126.57 1dk8 h GLN 133 Ca -0.37 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 1dk8 h GLN 133 Cb 1.17 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 1dk8 h GLN 133 CO 0.59 0.42 0.37 -0.44 -0.95 0.00 0.00 178.83 178.82 1dk8 h ASP 134 N 0.66 0.80 -0.42 1.46 3.32 -1.95 -1.70 116.42 118.59 1dk8 h ASP 134 Ca 0.32 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1dk8 h ASP 134 Cb 0.26 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1dk8 h ASP 134 CO -0.22 0.65 0.05 1.23 -1.72 0.00 0.00 179.24 179.24 1dk8 h GLY 135 N 0.88 0.76 1.00 2.75 0.00 -1.56 -1.99 103.07 104.92 1dk8 h GLY 135 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dk8 h GLY 135 CO -0.04 0.48 0.28 -2.22 0.00 0.00 0.00 176.54 175.04 1dk8 h ILE 136 N 0.55 1.11 -0.19 2.60 2.04 -0.76 0.30 117.51 123.17 1dk8 h ILE 136 Ca 0.13 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1dk8 h ILE 136 Cb 0.40 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1dk8 h ILE 136 CO 0.01 0.11 0.12 -1.28 0.00 0.00 0.00 178.15 177.11 1dk8 h SER 137 N 0.57 0.22 -0.50 1.72 0.87 -1.21 0.18 113.55 115.40 1dk8 h SER 137 Ca 0.15 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1dk8 h SER 137 Cb -0.06 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1dk8 h SER 137 CO -0.03 0.16 0.01 -0.07 -0.53 0.00 0.00 176.83 176.37 1dk8 h LEU 138 N 0.25 0.86 -0.49 2.23 3.38 -1.19 -1.62 115.31 118.74 1dk8 h LEU 138 Ca 0.07 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1dk8 h LEU 138 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1dk8 h LEU 138 CO -0.01 0.96 -0.10 0.15 0.09 0.00 0.00 178.44 179.52 1dk8 h PHE 139 N 0.75 1.04 -0.79 1.13 3.57 -0.81 -1.74 116.94 120.08 1dk8 h PHE 139 Ca 0.14 -0.22 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1dk8 h PHE 139 Cb 0.51 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1dk8 h PHE 139 CO 0.04 1.00 0.31 -0.09 -2.23 0.00 0.00 178.31 177.33 1dk8 h ARG 140 N 0.78 1.18 -0.52 1.11 2.43 -0.49 -0.27 114.38 118.60 1dk8 h ARG 140 Ca 0.13 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1dk8 h ARG 140 Cb 0.65 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1dk8 h ARG 140 CO 0.04 0.96 -0.14 1.15 -1.51 0.00 0.00 179.97 180.47 1dk8 h THR 141 N 1.15 1.27 -0.44 0.20 2.02 -1.17 0.15 112.91 116.08 1dk8 h THR 141 Ca 0.26 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.17 1dk8 h THR 141 Cb 0.22 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1dk8 h THR 141 CO -0.02 0.45 0.25 0.15 0.37 0.00 0.00 175.52 176.72 1dk8 h PHE 142 N 0.89 0.47 -0.57 3.16 3.57 -0.86 -2.30 116.94 121.29 1dk8 h PHE 142 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1dk8 h PHE 142 Cb 0.70 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1dk8 h PHE 142 CO 0.05 0.26 0.21 -0.07 -2.23 0.00 0.00 178.31 176.53 1dk8 h LEU 143 N 0.50 0.81 -1.40 0.59 3.38 -0.73 -2.86 115.31 115.61 1dk8 h LEU 143 Ca 0.18 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1dk8 h LEU 143 Cb 0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1dk8 h LEU 143 CO -0.09 0.77 0.46 0.11 0.09 0.00 0.00 178.44 179.78 1dk8 h LYS 144 N 0.79 0.73 0.00 1.13 1.57 -0.58 0.77 116.57 120.98 1dk8 h LYS 144 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1dk8 h LYS 144 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1dk8 h LYS 144 CO -0.01 0.48 0.00 1.04 -0.57 0.00 0.00 179.45 180.39 1dk8 n GLN 145 N -4.47 0.21 -0.08 3.15 6.02 -0.90 -2.16 117.38 119.15 1dk8 n GLN 145 Ca 0.10 0.41 0.05 0.00 -0.01 0.00 0.00 57.00 57.55 1dk8 n GLN 145 Cb 0.20 -1.88 0.09 0.00 1.02 0.00 0.00 30.24 29.66 1dk8 n GLN 145 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1dk8 n GLU 146 N -2.27 1.68 -2.04 -1.09 1.02 -0.33 -4.97 120.64 112.64 1dk8 n GLU 146 Ca 0.02 -1.53 -0.11 0.00 -0.02 0.00 0.00 57.16 55.52 1dk8 n GLU 146 Cb 0.25 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 1dk8 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dk8 n GLY 147 N 0.42 0.16 0.30 0.62 0.00 -0.61 -4.92 105.19 101.16 1dk8 n GLY 147 Ca 0.08 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1dk8 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk8 h ALA 149 N 1.04 1.66 -0.03 0.00 0.00 -1.86 -1.57 119.26 118.51 1dk8 h ALA 149 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dk8 h ALA 149 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1dk8 h ALA 149 CO 0.00 -0.08 0.02 -0.44 0.00 0.00 0.00 179.25 178.75 1dk8 h ASP 150 N 0.00 0.00 -0.06 0.00 3.45 -1.93 -0.91 116.42 116.96 1dk8 h ASP 150 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1dk8 h ASP 150 Cb 0.14 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1dk8 h ASP 150 CO -0.00 0.00 0.04 -0.07 -1.57 0.00 0.00 179.24 177.64 1dk8 h LEU 151 N 0.00 0.06 -0.17 1.55 3.38 -1.66 0.73 115.31 119.20 1dk8 h LEU 151 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1dk8 h LEU 151 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1dk8 h LEU 151 CO -0.00 0.05 -0.37 0.25 0.09 0.00 0.00 178.44 178.45 1dk8 h LEU 152 N 0.08 0.62 -0.85 1.67 5.85 -1.54 -1.90 115.31 119.24 1dk8 h LEU 152 Ca 0.02 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1dk8 h LEU 152 Cb -0.00 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1dk8 h LEU 152 CO -0.01 1.07 0.40 0.44 -0.34 0.00 0.00 178.44 180.00 1dk8 h ASP 153 N 0.20 1.12 -0.39 1.25 3.32 -1.13 -0.96 116.42 119.84 1dk8 h ASP 153 Ca 0.00 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 1dk8 h ASP 153 Cb 0.98 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1dk8 h ASP 153 CO 0.08 0.95 -0.05 0.15 -1.72 0.00 0.00 179.24 178.65 1dk8 h PHE 154 N 1.22 0.79 -0.44 4.55 3.57 -0.87 -0.75 116.94 125.00 1dk8 h PHE 154 Ca 0.29 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1dk8 h PHE 154 Cb 0.13 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1dk8 h PHE 154 CO 0.02 0.83 0.15 2.35 -2.23 0.00 0.00 178.31 179.42 1dk8 h TRP 155 N 0.53 0.26 -0.29 0.41 7.01 -0.89 -0.89 115.95 122.09 1dk8 h TRP 155 Ca 0.10 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.02 1dk8 h TRP 155 Cb 0.54 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1dk8 h TRP 155 CO 0.04 0.09 -0.25 0.74 -2.79 0.00 0.00 178.44 176.28 1dk8 h PHE 156 N 0.31 0.64 -0.82 2.65 -1.00 -1.06 -2.34 116.94 115.32 1dk8 h PHE 156 Ca 0.21 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1dk8 h PHE 156 Cb 0.21 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 1dk8 h PHE 156 CO -0.16 0.77 0.45 0.00 -1.61 0.00 0.00 178.31 177.76 1dk8 h ALA 157 N 1.23 1.25 -0.47 2.45 0.00 -0.24 -1.17 119.26 122.31 1dk8 h ALA 157 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1dk8 h ALA 157 Cb 0.70 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dk8 h ALA 157 CO 0.05 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.78 1dk8 h THR 159 N 0.76 1.24 -0.31 0.00 1.35 -0.88 -1.37 112.91 113.70 1dk8 h THR 159 Ca 0.12 -0.56 -0.17 0.00 -0.55 0.00 0.00 66.41 65.24 1dk8 h THR 159 Cb 0.69 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1dk8 h THR 159 CO 0.05 0.26 -0.49 1.23 -0.25 0.00 0.00 175.52 176.32 1dk8 h GLY 160 N 1.12 0.93 0.94 5.82 0.00 -1.07 -3.19 103.07 107.63 1dk8 h GLY 160 Ca 0.29 -1.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1dk8 h GLY 160 CO -0.05 0.93 0.10 -2.75 0.00 0.00 0.00 176.54 174.77 1dk8 h PHE 161 N 0.67 0.71 0.00 5.60 3.57 -0.89 -2.82 116.94 123.79 1dk8 h PHE 161 Ca 0.03 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1dk8 h PHE 161 Cb 1.08 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1dk8 h PHE 161 CO 0.06 0.67 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.71 1dk8 h ARG 162 N 0.54 0.00 0.00 1.11 9.65 -1.28 -1.75 114.38 122.65 1dk8 h ARG 162 Ca 0.13 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1dk8 h ARG 162 Cb 0.32 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1dk8 h ARG 162 CO 0.00 0.02 -0.34 0.87 2.80 0.00 0.00 179.97 183.32 1dk8 h LYS 163 N 0.00 0.00 -6.64 0.20 1.57 -1.48 -3.44 116.57 106.77 1dk8 h LYS 163 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1dk8 h LYS 163 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1dk8 h LYS 163 CO 0.00 0.34 0.48 -0.51 -0.57 0.00 0.00 179.45 179.20 1dk8 s LEU 164 N -6.64 4.48 0.04 2.94 1.43 -0.66 -5.03 118.68 115.23 1dk8 s LEU 164 Ca 0.02 2.08 0.06 0.00 -1.03 0.00 0.00 54.13 55.26 1dk8 s LEU 164 Cb 0.09 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1dk8 s LEU 164 CO 0.69 -0.24 -0.13 -0.70 0.23 0.00 0.00 176.35 176.20 1dk8 s GLU 165 N -0.26 2.26 0.14 1.70 2.56 -1.26 -4.70 118.70 119.14 1dk8 s GLU 165 Ca 0.50 -0.89 -0.30 0.00 0.00 0.00 0.00 54.97 54.27 1dk8 s GLU 165 Cb -0.29 -2.32 -0.08 0.00 2.00 0.00 0.00 34.13 33.44 1dk8 s GLU 165 CO 0.34 0.56 1.29 -2.14 -0.56 0.00 0.00 175.26 174.75 1dk8 s PRO 166 N -1.55 4.40 0.12 4.30 0.02 -1.26 -5.00 135.00 136.02 1dk8 s PRO 166 Ca 0.17 1.97 -0.06 0.00 0.02 0.00 0.00 61.00 63.10 1dk8 s PRO 166 Cb -0.11 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 1dk8 s PRO 166 CO 0.07 -0.28 0.15 0.00 -0.33 0.00 0.00 177.00 176.62 1dk8 n ASP 168 N -0.09 0.04 0.00 0.00 5.75 -1.26 -2.75 116.55 118.24 1dk8 n ASP 168 Ca -0.10 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1dk8 n ASP 168 Cb 0.63 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1dk8 n ASP 168 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1dk8 n SER 169 N -0.45 0.33 -0.16 -1.12 3.41 -1.26 -4.69 113.62 109.66 1dk8 n SER 169 Ca 0.00 -0.65 0.09 0.00 -0.26 0.00 0.00 58.87 58.05 1dk8 n SER 169 Cb 0.01 0.55 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 1dk8 n SER 169 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1dk8 n ASN 170 N -0.55 2.14 0.24 4.04 0.23 -1.11 -4.82 115.26 115.44 1dk8 n ASN 170 Ca 0.00 -3.12 -0.16 0.00 -0.53 0.00 0.00 54.58 50.77 1dk8 n ASN 170 Cb 0.01 -0.43 -0.08 0.00 -2.08 0.00 0.00 39.78 37.20 1dk8 n ASN 170 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1dk8 h GLU 171 N 0.12 -0.53 -0.46 -3.83 5.08 -1.84 -1.11 114.58 112.02 1dk8 h GLU 171 Ca -0.00 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1dk8 h GLU 171 Cb 1.03 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1dk8 h GLU 171 CO 0.00 -0.34 -0.10 1.49 -1.00 0.00 0.00 179.01 179.06 1dk8 h GLU 172 N -0.57 0.83 -0.17 2.33 4.57 -1.94 -1.17 114.58 118.46 1dk8 h GLU 172 Ca -0.06 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1dk8 h GLU 172 Cb 0.43 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1dk8 h GLU 172 CO 0.09 0.89 0.05 0.87 -1.18 0.00 0.00 179.01 179.74 1dk8 h LYS 173 N 0.75 0.13 -0.42 1.92 1.57 -1.86 0.78 116.57 119.42 1dk8 h LYS 173 Ca 0.13 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1dk8 h LYS 173 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1dk8 h LYS 173 CO 0.04 0.08 -0.09 0.00 -0.57 0.00 0.00 179.45 178.91 1dk8 h ARG 174 N 0.13 0.74 -0.33 3.15 3.08 -1.03 -1.64 114.38 118.48 1dk8 h ARG 174 Ca 0.08 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1dk8 h ARG 174 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1dk8 h ARG 174 CO -0.09 0.81 0.02 1.25 -1.07 0.00 0.00 179.97 180.89 1dk8 h LEU 175 N 0.68 0.56 -0.98 3.04 5.85 -0.81 -0.41 115.31 123.24 1dk8 h LEU 175 Ca 0.12 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1dk8 h LEU 175 Cb 0.54 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1dk8 h LEU 175 CO 0.03 0.72 0.07 0.11 -0.34 0.00 0.00 178.44 179.03 1dk8 h LYS 176 N 0.39 0.81 -0.29 1.25 1.57 -0.70 0.11 116.57 119.71 1dk8 h LYS 176 Ca 0.10 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1dk8 h LYS 176 Cb 0.42 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1dk8 h LYS 176 CO 0.01 0.77 -0.15 1.25 -0.57 0.00 0.00 179.45 180.77 1dk8 h LEU 177 N 0.77 0.62 -0.73 2.94 5.85 -1.12 -0.86 115.31 122.78 1dk8 h LEU 177 Ca 0.16 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1dk8 h LEU 177 Cb 0.37 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1dk8 h LEU 177 CO 0.01 0.90 0.41 0.00 -0.34 0.00 0.00 178.44 179.42 1dk8 h ALA 178 N 0.74 0.93 -0.79 1.25 0.00 -0.77 -0.96 119.26 119.68 1dk8 h ALA 178 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dk8 h ALA 178 Cb 0.67 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1dk8 h ALA 178 CO 0.04 0.44 0.34 -0.09 0.00 0.00 0.00 179.25 179.97 1dk8 h ARG 179 N 1.00 1.15 -0.45 0.00 2.43 -0.87 -1.40 114.38 116.25 1dk8 h ARG 179 Ca 0.26 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1dk8 h ARG 179 Cb 0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1dk8 h ARG 179 CO -0.04 0.92 0.13 0.00 -1.51 0.00 0.00 179.97 179.47 1dk8 h ALA 180 N 1.23 0.59 -0.44 2.80 0.00 -0.46 0.11 119.26 123.09 1dk8 h ALA 180 Ca 0.27 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dk8 h ALA 180 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1dk8 h ALA 180 CO -0.03 0.25 0.11 0.82 0.00 0.00 0.00 179.25 180.41 1dk8 h ILE 181 N 0.59 1.23 0.13 0.00 2.04 -0.99 -0.56 117.51 119.95 1dk8 h ILE 181 Ca 0.14 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1dk8 h ILE 181 Cb 0.28 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1dk8 h ILE 181 CO -0.00 0.28 -0.06 0.22 0.00 0.00 0.00 178.15 178.58 1dk8 h TYR 182 N 0.57 -0.17 -0.60 1.37 5.03 -1.08 -1.52 116.97 120.57 1dk8 h TYR 182 Ca 0.14 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1dk8 h TYR 182 Cb 0.30 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1dk8 h TYR 182 CO 0.02 -0.10 0.22 0.00 -1.32 0.00 0.00 178.16 176.97 1dk8 h ARG 183 N -0.18 0.92 -0.26 1.82 3.08 -0.70 0.79 114.38 119.85 1dk8 h ARG 183 Ca -0.02 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1dk8 h ARG 183 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1dk8 h ARG 183 CO 0.03 0.80 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.38 1dk8 h LYS 184 N 0.85 0.54 0.00 0.04 3.64 -1.02 -3.30 116.57 117.32 1dk8 h LYS 184 Ca 0.20 -0.24 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1dk8 h LYS 184 Cb 0.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1dk8 h LYS 184 CO -0.01 0.79 -1.77 0.66 -2.27 0.00 0.00 179.45 176.85 1dk8 n TYR 185 N -4.47 0.00 0.06 1.91 4.02 -0.58 -4.39 117.16 113.71 1dk8 n TYR 185 Ca -0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.65 1dk8 n TYR 185 Cb 0.35 -0.53 -0.15 0.00 -0.02 0.00 0.00 39.34 39.00 1dk8 n TYR 185 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1dk8 h ILE 186 N 0.00 1.48 0.00 -0.72 1.08 -1.22 -3.15 117.51 114.98 1dk8 h ILE 186 Ca -0.30 -2.55 -0.02 0.00 -0.39 0.00 0.00 64.86 61.59 1dk8 h ILE 186 Cb 1.49 3.18 -0.00 0.00 -3.07 0.00 0.00 36.82 38.41 1dk8 h ILE 186 CO -0.04 0.73 -0.11 0.25 -0.69 0.00 0.00 178.15 178.29 1dk8 h LEU 187 N -0.33 0.00 -8.31 1.44 5.85 -1.06 -3.42 115.31 109.49 1dk8 h LEU 187 Ca -0.16 0.00 -0.45 0.00 0.84 0.00 0.00 57.88 58.12 1dk8 h LEU 187 Cb 1.69 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 1dk8 h LEU 187 CO 0.16 0.11 1.11 -0.62 -0.34 0.00 0.00 178.44 178.85 1dk8 s ASP 188 N -6.18 5.55 0.00 1.25 2.15 -1.24 -4.80 116.67 113.40 1dk8 s ASP 188 Ca 0.05 -0.44 0.18 0.00 0.43 0.00 0.00 52.55 52.76 1dk8 s ASP 188 Cb 0.06 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 41.04 1dk8 s ASP 188 CO 0.66 -2.30 1.52 0.59 -0.17 0.00 0.00 175.17 175.48 1dk8 n ASN 189 N 12.10 0.00 -1.21 -0.34 3.02 -1.26 -1.29 115.26 126.28 1dk8 n ASN 189 Ca 0.27 -0.03 0.11 0.00 -0.03 0.00 0.00 54.58 54.91 1dk8 n ASN 189 Cb 0.50 -0.26 0.26 0.00 -0.61 0.00 0.00 39.78 39.67 1dk8 n ASN 189 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dk8 n ASN 190 N -1.26 3.66 -4.76 6.41 3.02 -1.26 -4.91 115.26 116.16 1dk8 n ASN 190 Ca 0.09 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.41 1dk8 n ASN 190 Cb 0.13 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1dk8 n ASN 190 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1dk8 s GLY 191 N -1.17 1.57 0.28 7.41 0.00 -0.41 -5.05 107.32 109.95 1dk8 s GLY 191 Ca 0.42 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1dk8 s GLY 191 CO 0.31 -1.44 1.74 1.19 0.00 0.00 0.00 173.10 174.90 1dk8 h ILE 192 N 1.84 1.25 -0.79 0.90 2.10 -1.87 -2.98 117.51 117.95 1dk8 h ILE 192 Ca -0.47 -1.16 -0.04 0.00 1.08 0.00 0.00 64.86 64.27 1dk8 h ILE 192 Cb 1.23 1.20 -0.04 0.00 -1.09 0.00 0.00 36.82 38.12 1dk8 h ILE 192 CO 0.61 0.38 0.33 0.58 -1.08 0.00 0.00 178.15 178.97 1dk8 h VAL 193 N 0.52 1.26 -0.18 2.19 2.07 -1.89 -0.86 116.25 119.35 1dk8 h VAL 193 Ca 0.09 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1dk8 h VAL 193 Cb 0.59 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1dk8 h VAL 193 CO 0.04 0.32 -0.02 0.77 0.02 0.00 0.00 177.57 178.70 1dk8 h SER 194 N 1.14 0.24 1.82 0.57 4.64 -1.47 -2.16 113.55 118.33 1dk8 h SER 194 Ca 0.27 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1dk8 h SER 194 Cb 0.19 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1dk8 h SER 194 CO -0.03 0.31 -0.18 0.03 -0.87 0.00 0.00 176.83 176.09 1dk8 h ARG 195 N 0.26 0.00 -0.37 4.77 3.08 -1.23 -3.32 114.38 117.57 1dk8 h ARG 195 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1dk8 h ARG 195 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1dk8 h ARG 195 CO 0.01 0.04 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 1dk8 n GLN 196 N -3.05 2.37 -5.13 0.04 1.13 -0.42 -4.91 117.38 107.40 1dk8 n GLN 196 Ca 0.03 -2.09 -0.32 0.00 -1.94 0.00 0.00 57.00 52.69 1dk8 n GLN 196 Cb 0.55 -1.38 -0.15 0.00 0.11 0.00 0.00 30.24 29.37 1dk8 n GLN 196 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1dk8 s THR 197 N -1.12 2.42 0.63 5.09 -4.23 -0.87 -4.59 115.64 112.95 1dk8 s THR 197 Ca 0.31 -0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 59.69 1dk8 s THR 197 Cb 0.17 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1dk8 s THR 197 CO 0.23 0.57 1.19 -0.54 -0.54 0.00 0.00 174.62 175.54 1dk8 s LYS 198 N -0.35 2.78 0.21 3.99 -0.14 -1.26 -4.80 119.74 120.17 1dk8 s LYS 198 Ca 0.02 1.76 -0.09 0.00 -1.36 0.00 0.00 55.97 56.30 1dk8 s LYS 198 Cb -0.12 -1.91 0.29 0.00 -1.68 0.00 0.00 37.83 34.40 1dk8 s LYS 198 CO 0.02 -1.34 1.74 -1.35 -0.76 0.00 0.00 175.35 173.67 1dk8 h PRO 199 N 0.54 0.40 -0.40 -1.68 0.11 -1.99 -0.49 132.00 128.49 1dk8 h PRO 199 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1dk8 h PRO 199 Cb 1.29 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1dk8 h PRO 199 CO 0.54 0.27 0.04 0.00 -0.21 0.00 0.00 178.00 178.64 1dk8 h ALA 200 N 1.43 1.32 -0.20 -0.75 0.00 -1.98 0.13 119.26 119.21 1dk8 h ALA 200 Ca 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1dk8 h ALA 200 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1dk8 h ALA 200 CO -0.31 0.47 -0.04 1.15 0.00 0.00 0.00 179.25 180.51 1dk8 h THR 201 N 0.60 1.28 -0.38 0.00 2.02 -1.63 -1.67 112.91 113.13 1dk8 h THR 201 Ca 0.13 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 1dk8 h THR 201 Cb 0.32 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1dk8 h THR 201 CO 0.01 0.31 -0.19 0.11 0.37 0.00 0.00 175.52 176.13 1dk8 h LYS 202 N 0.10 0.72 -0.59 6.66 1.57 -0.85 -2.77 116.57 121.41 1dk8 h LYS 202 Ca 0.05 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1dk8 h LYS 202 Cb 0.49 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1dk8 h LYS 202 CO 0.02 0.85 0.13 1.03 -0.57 0.00 0.00 179.45 180.92 1dk8 h SER 203 N 0.64 0.86 -0.41 0.86 0.87 -0.64 -0.61 113.55 115.11 1dk8 h SER 203 Ca 0.10 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 1dk8 h SER 203 Cb 0.66 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1dk8 h SER 203 CO 0.05 0.84 0.16 0.15 -0.53 0.00 0.00 176.83 177.49 1dk8 h PHE 204 N 0.87 0.64 -0.51 2.24 3.57 -1.09 -0.45 116.94 122.21 1dk8 h PHE 204 Ca 0.19 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1dk8 h PHE 204 Cb 0.33 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1dk8 h PHE 204 CO 0.02 0.56 0.18 0.82 -2.23 0.00 0.00 178.31 177.67 1dk8 h ILE 205 N 0.52 1.22 -0.86 1.41 2.04 -1.21 -0.88 117.51 119.74 1dk8 h ILE 205 Ca 0.14 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1dk8 h ILE 205 Cb 0.20 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1dk8 h ILE 205 CO -0.01 0.27 0.56 0.50 0.00 0.00 0.00 178.15 179.46 1dk8 h LYS 206 N 0.68 1.06 -0.39 2.37 3.11 -0.87 -0.86 116.57 121.67 1dk8 h LYS 206 Ca 0.17 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1dk8 h LYS 206 Cb 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1dk8 h LYS 206 CO -0.01 0.70 0.22 0.78 -2.81 0.00 0.00 179.45 178.33 1dk8 h GLY 207 N 1.09 0.58 0.66 5.01 0.00 -0.51 0.16 103.07 110.06 1dk8 h GLY 207 Ca 0.34 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1dk8 h GLY 207 CO -0.11 0.25 0.17 0.00 0.00 0.00 0.00 176.54 176.84 1dk8 h ILE 209 N 0.35 1.12 -0.22 0.00 1.08 -0.77 0.67 117.51 119.74 1dk8 h ILE 209 Ca 0.20 -0.43 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1dk8 h ILE 209 Cb 0.17 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1dk8 h ILE 209 CO -0.18 0.11 -0.18 0.24 -0.69 0.00 0.00 178.15 177.44 1dk8 h MET 210 N -0.21 0.37 -0.00 2.37 2.86 -0.82 -2.42 114.93 117.08 1dk8 h MET 210 Ca -0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1dk8 h MET 210 Cb 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1dk8 h MET 210 CO 0.00 0.55 -0.33 1.63 1.06 0.00 0.00 176.91 179.83 1dk8 n LYS 211 N -4.19 0.07 -3.49 1.72 5.02 -0.03 -4.94 118.16 112.33 1dk8 n LYS 211 Ca -0.00 -0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 1dk8 n LYS 211 Cb 0.34 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.92 1dk8 n LYS 211 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1dk8 n GLN 212 N -1.43 -7.42 -3.65 1.97 6.02 0.05 -4.96 117.38 107.96 1dk8 n GLN 212 Ca 0.07 0.84 -0.39 0.00 -0.01 0.00 0.00 57.00 57.51 1dk8 n GLN 212 Cb 0.33 -5.85 -0.09 0.00 1.02 0.00 0.00 30.24 25.65 1dk8 n GLN 212 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dk8 s LEU 213 N -7.17 5.51 -0.88 1.08 1.43 -0.20 -5.03 118.68 113.42 1dk8 s LEU 213 Ca 0.54 -2.30 -0.02 0.00 -1.03 0.00 0.00 54.13 51.32 1dk8 s LEU 213 Cb -0.24 -1.92 0.22 0.00 0.03 0.00 0.00 46.19 44.28 1dk8 s LEU 213 CO 0.66 -0.54 0.76 -0.63 0.23 0.00 0.00 176.35 176.84 1dk8 s ILE 214 N 0.77 4.39 0.31 -0.59 -1.09 -1.26 -4.58 121.20 119.15 1dk8 s ILE 214 Ca 0.11 -3.75 -0.27 0.00 -2.23 0.00 0.00 60.65 54.51 1dk8 s ILE 214 Cb -0.22 -3.73 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1dk8 s ILE 214 CO -0.03 -1.07 0.96 -0.62 -1.23 0.00 0.00 174.94 172.94 1dk8 s ASP 215 N 0.03 7.35 0.58 3.58 -1.08 -1.26 -4.92 116.67 120.95 1dk8 s ASP 215 Ca 0.26 1.88 0.28 0.00 -0.52 0.00 0.00 52.55 54.46 1dk8 s ASP 215 Cb -0.09 -2.59 1.53 0.00 -1.46 0.00 0.00 42.92 40.32 1dk8 s ASP 215 CO -0.11 -0.06 1.98 -0.65 0.52 0.00 0.00 175.17 176.85 1dk8 h PRO 216 N 3.31 0.00 -0.62 4.34 0.11 -1.90 -0.94 132.00 136.30 1dk8 h PRO 216 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dk8 h PRO 216 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dk8 h PRO 216 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1dk8 n ALA 217 N -2.38 2.43 -0.02 -0.75 0.00 -1.26 -3.82 120.51 114.71 1dk8 n ALA 217 Ca 0.06 -1.10 0.11 0.00 0.00 0.00 0.00 53.44 52.52 1dk8 n ALA 217 Cb 0.54 -0.95 0.53 0.00 0.00 0.00 0.00 19.45 19.57 1dk8 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dk8 h MET 218 N 3.61 0.32 -0.02 0.00 -0.00 -1.55 -1.73 114.93 115.56 1dk8 h MET 218 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1dk8 h MET 218 Cb 0.85 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 1dk8 h MET 218 CO 0.01 0.21 0.00 1.19 -0.00 0.00 0.00 176.91 178.32 1dk8 n PHE 219 N -4.47 0.02 -0.18 -0.10 3.72 -1.26 -4.46 117.46 110.72 1dk8 n PHE 219 Ca 0.07 -0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.46 1dk8 n PHE 219 Cb 0.32 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.94 1dk8 n PHE 219 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1dk8 h ASP 220 N 1.87 -0.27 -0.34 4.37 5.19 -1.64 0.25 116.42 125.86 1dk8 h ASP 220 Ca 0.00 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1dk8 h ASP 220 Cb 0.40 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1dk8 h ASP 220 CO 0.00 -0.10 0.13 -0.61 -3.12 0.00 0.00 179.24 175.54 1dk8 h GLN 221 N 0.10 0.50 -0.73 3.56 5.75 -1.82 -0.01 115.11 122.47 1dk8 h GLN 221 Ca 0.29 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1dk8 h GLN 221 Cb 0.45 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1dk8 h GLN 221 CO -0.48 0.51 0.27 0.00 -2.65 0.00 0.00 178.83 176.47 1dk8 h ALA 222 N 0.97 1.08 -0.79 3.38 0.00 -1.77 -0.77 119.26 121.37 1dk8 h ALA 222 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1dk8 h ALA 222 Cb 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dk8 h ALA 222 CO -0.01 0.64 0.31 0.37 0.00 0.00 0.00 179.25 180.56 1dk8 h GLN 223 N 1.08 1.18 -0.49 0.00 4.15 -0.61 -0.48 115.11 119.93 1dk8 h GLN 223 Ca 0.24 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1dk8 h GLN 223 Cb 0.24 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1dk8 h GLN 223 CO -0.02 0.96 0.20 1.15 -1.93 0.00 0.00 178.83 179.19 1dk8 h THR 224 N 1.15 1.21 -0.67 2.39 2.02 -0.41 0.12 112.91 118.71 1dk8 h THR 224 Ca 0.26 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1dk8 h THR 224 Cb 0.22 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1dk8 h THR 224 CO -0.02 0.24 0.16 -0.33 0.37 0.00 0.00 175.52 175.94 1dk8 h GLU 225 N 0.65 1.08 -0.08 6.66 5.08 -0.77 -0.38 114.58 126.81 1dk8 h GLU 225 Ca 0.16 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1dk8 h GLU 225 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1dk8 h GLU 225 CO -0.01 0.96 -0.65 0.82 -1.00 0.00 0.00 179.01 179.13 1dk8 h ILE 226 N 1.01 1.38 -0.68 3.13 1.08 -0.89 -1.36 117.51 121.18 1dk8 h ILE 226 Ca 0.21 -2.04 -0.04 0.00 -0.39 0.00 0.00 64.86 62.60 1dk8 h ILE 226 Cb 0.37 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1dk8 h ILE 226 CO 0.00 0.61 0.26 -0.61 -0.69 0.00 0.00 178.15 177.72 1dk8 h GLN 227 N 0.23 1.02 -0.74 2.37 4.15 -0.44 -1.82 115.11 119.88 1dk8 h GLN 227 Ca -0.01 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1dk8 h GLN 227 Cb 1.18 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1dk8 h GLN 227 CO 0.11 0.86 0.26 0.00 -1.93 0.00 0.00 178.83 178.12 1dk8 h ALA 228 N 1.12 1.06 -0.51 3.38 0.00 -0.78 -1.26 119.26 122.27 1dk8 h ALA 228 Ca 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1dk8 h ALA 228 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1dk8 h ALA 228 CO -0.02 0.65 -0.04 1.15 0.00 0.00 0.00 179.25 180.99 1dk8 h THR 229 N 1.09 1.26 -0.23 0.00 2.02 -0.88 -1.14 112.91 115.02 1dk8 h THR 229 Ca 0.24 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1dk8 h THR 229 Cb 0.26 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1dk8 h THR 229 CO -0.01 0.39 0.04 0.24 0.37 0.00 0.00 175.52 176.55 1dk8 h MET 230 N 0.81 0.39 -0.99 6.66 2.07 -0.96 -1.83 114.93 121.08 1dk8 h MET 230 Ca 0.15 -0.10 0.07 0.00 -2.07 0.00 0.00 59.70 57.74 1dk8 h MET 230 Cb 0.54 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.15 1dk8 h MET 230 CO 0.03 0.52 0.64 0.93 1.07 0.00 0.00 176.91 180.10 1dk8 h GLU 231 N 0.19 1.09 0.00 1.72 4.39 -0.99 0.21 114.58 121.21 1dk8 h GLU 231 Ca 0.07 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1dk8 h GLU 231 Cb 0.32 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1dk8 h GLU 231 CO 0.00 0.72 -0.72 1.49 -1.16 0.00 0.00 179.01 179.35 1dk8 h GLU 232 N 1.13 0.00 0.00 2.33 4.81 -1.07 -3.40 114.58 118.38 1dk8 h GLU 232 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1dk8 h GLU 232 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1dk8 h GLU 232 CO -0.18 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 178.75 1dk8 n ASN 233 N -3.20 0.00 -0.04 1.04 3.02 -0.70 -4.83 115.26 110.55 1dk8 n ASN 233 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1dk8 n ASN 233 Cb 0.79 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.30 1dk8 n ASN 233 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1dk8 h THR 234 N 0.00 1.15 0.11 3.41 1.35 -1.67 -0.85 112.91 116.41 1dk8 h THR 234 Ca 0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1dk8 h THR 234 Cb 0.00 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 1dk8 h THR 234 CO 0.00 0.18 -0.05 0.22 -0.25 0.00 0.00 175.52 175.62 1dk8 h TYR 235 N 0.62 -0.13 -0.12 4.73 3.20 -1.24 0.11 116.97 124.15 1dk8 h TYR 235 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1dk8 h TYR 235 Cb 0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1dk8 h TYR 235 CO 0.00 0.16 -0.10 -1.35 -1.64 0.00 0.00 178.16 175.23 1dk8 h PRO 236 N -0.43 0.18 -0.50 1.82 0.11 -1.71 -1.86 132.00 129.62 1dk8 h PRO 236 Ca -0.01 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1dk8 h PRO 236 Cb 0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1dk8 h PRO 236 CO 0.02 0.30 -0.01 1.03 -0.21 0.00 0.00 178.00 179.12 1dk8 h SER 237 N 0.18 0.87 -0.97 -2.05 0.87 -0.89 -2.67 113.55 108.89 1dk8 h SER 237 Ca 0.04 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.29 1dk8 h SER 237 Cb 0.30 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 1dk8 h SER 237 CO 0.02 0.98 0.63 0.15 -0.53 0.00 0.00 176.83 178.08 1dk8 h PHE 238 N 0.75 1.22 0.00 2.24 3.57 -0.06 -1.31 116.94 123.35 1dk8 h PHE 238 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dk8 h PHE 238 Cb 0.54 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1dk8 h PHE 238 CO 0.04 0.77 0.00 1.28 -2.23 0.00 0.00 178.31 178.17 1dk8 n LEU 239 N -4.38 0.00 -0.17 0.59 4.77 -0.77 -1.68 117.00 115.35 1dk8 n LEU 239 Ca 0.11 0.16 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1dk8 n LEU 239 Cb 0.02 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1dk8 n LEU 239 CO 0.37 -0.09 0.26 0.29 -1.33 0.00 0.00 177.39 176.89 1dk8 n LYS 240 N -1.16 1.04 -1.93 3.23 5.02 -0.53 -4.69 118.16 119.13 1dk8 n LYS 240 Ca 0.08 -0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 55.39 1dk8 n LYS 240 Cb 0.08 -1.02 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 1dk8 n LYS 240 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1dk8 s SER 241 N -0.70 5.39 0.27 4.39 1.04 -0.68 -4.82 113.70 118.61 1dk8 s SER 241 Ca 0.06 2.00 0.01 0.00 0.48 0.00 0.00 55.95 58.49 1dk8 s SER 241 Cb 0.04 -2.55 0.39 0.00 0.10 0.00 0.00 66.02 64.00 1dk8 s SER 241 CO 0.10 -1.44 1.74 0.44 0.98 0.00 0.00 173.24 175.07 1dk8 h ASP 242 N 0.39 0.61 0.05 7.02 3.32 -1.93 0.78 116.42 126.65 1dk8 h ASP 242 Ca -0.48 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.37 1dk8 h ASP 242 Cb 1.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1dk8 h ASP 242 CO 0.55 0.77 -0.10 -0.29 -1.72 0.00 0.00 179.24 178.45 1dk8 h ILE 243 N 0.56 1.12 0.00 0.35 6.09 -1.92 0.22 117.51 123.92 1dk8 h ILE 243 Ca 0.10 -0.51 -0.07 0.00 -1.37 0.00 0.00 64.86 63.01 1dk8 h ILE 243 Cb 0.56 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 1dk8 h ILE 243 CO 0.04 0.16 -0.59 0.22 -3.07 0.00 0.00 178.15 174.90 1dk8 h TYR 244 N 0.11 0.00 -0.08 2.19 3.20 -1.68 -0.19 116.97 120.52 1dk8 h TYR 244 Ca 0.02 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1dk8 h TYR 244 Cb 0.24 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1dk8 h TYR 244 CO 0.00 0.52 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.53 1dk8 h LEU 245 N -1.00 0.20 0.00 2.82 3.38 -0.90 -1.56 115.31 118.25 1dk8 h LEU 245 Ca -0.10 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.40 1dk8 h LEU 245 Cb 0.70 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1dk8 h LEU 245 CO -0.06 0.62 -2.29 -0.62 0.09 0.00 0.00 178.44 176.18 1dk8 n GLU 246 N -4.00 0.50 -0.04 1.13 -0.58 0.00 -4.40 120.64 113.24 1dk8 n GLU 246 Ca -0.02 0.21 -0.02 0.00 -0.42 0.00 0.00 57.16 56.91 1dk8 n GLU 246 Cb 0.49 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1dk8 n GLU 246 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1dk8 h TYR 247 N -0.74 -0.02 -0.16 -0.32 3.20 -1.40 -3.27 116.97 114.26 1dk8 h TYR 247 Ca -0.58 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1dk8 h TYR 247 Cb 1.54 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 1dk8 h TYR 247 CO -0.06 0.09 0.10 1.15 -1.64 0.00 0.00 178.16 177.80 1dk8 h THR 248 N -1.00 1.06 -0.44 1.81 2.02 -1.05 -3.06 112.91 112.25 1dk8 h THR 248 Ca -0.00 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1dk8 h THR 248 Cb 0.13 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1dk8 h THR 248 CO 0.00 0.05 0.11 -0.09 0.37 0.00 0.00 175.52 175.97 1dk8 h ARG 249 N 0.20 0.66 -6.76 6.66 2.43 -1.49 -3.43 114.38 112.65 1dk8 h ARG 249 Ca 0.06 -0.11 -0.53 0.00 -0.81 0.00 0.00 59.98 58.59 1dk8 h ARG 249 Cb 0.00 -0.11 0.07 0.00 -0.42 0.00 0.00 29.97 29.51 1dk8 h ARG 249 CO -0.01 0.59 0.82 0.99 -1.51 0.00 0.00 179.97 180.86 1dk8 s THR 250 N -5.18 2.40 0.61 0.20 2.01 -1.16 -4.97 115.64 109.56 1dk8 s THR 250 Ca -0.09 0.34 -0.14 0.00 0.31 0.00 0.00 61.69 62.11 1dk8 s THR 250 Cb 0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1dk8 s THR 250 CO 0.77 0.05 1.05 -0.83 -0.69 0.00 0.00 174.62 174.97 1dk8 s GLY 251 N 0.48 1.97 0.30 4.40 0.00 -1.26 -4.99 107.32 108.22 1dk8 s GLY 251 Ca 0.62 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 45.47 1dk8 s GLY 251 CO 0.44 0.57 0.69 -0.56 0.00 0.00 0.00 173.10 174.25 1dk8 s SER 252 N -3.15 6.74 0.51 1.64 0.01 -1.26 -5.07 113.70 113.12 1dk8 s SER 252 Ca 0.61 1.20 -0.13 0.00 1.31 0.00 0.00 55.95 58.94 1dk8 s SER 252 Cb -0.15 -2.34 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1dk8 s SER 252 CO 0.42 -0.18 0.93 -1.61 0.41 0.00 0.00 173.24 173.22 1dk8 s GLU 253 N -2.95 3.79 -0.12 12.44 8.01 -1.26 -5.01 118.70 133.61 1dk8 s GLU 253 Ca 0.53 0.74 -0.30 0.00 0.01 0.00 0.00 54.97 55.95 1dk8 s GLU 253 Cb -0.10 -2.20 -0.01 0.00 -4.31 0.00 0.00 34.13 27.51 1dk8 s GLU 253 CO 0.18 -0.29 1.06 -1.12 0.01 0.00 0.00 175.26 175.11 1dk8 s SER 254 N -3.44 7.17 0.51 -0.19 0.01 -1.26 -4.99 113.70 111.51 1dk8 s SER 254 Ca 0.55 1.57 -0.22 0.00 1.31 0.00 0.00 55.95 59.17 1dk8 s SER 254 Cb -0.10 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 1dk8 s SER 254 CO 0.38 -0.52 1.13 -2.65 0.41 0.00 0.00 173.24 171.99 1dk8 n PRO 255 N 5.32 1.40 -4.12 12.44 -0.02 -1.26 -5.02 135.00 143.74 1dk8 n PRO 255 Ca 0.10 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1dk8 n PRO 255 Cb 0.48 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.57 1dk8 n PRO 255 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1dk8 s LYS 256 N -2.50 0.68 0.00 -0.52 1.02 -1.26 -5.33 119.74 111.83 1dk8 s LYS 256 Ca 0.69 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1dk8 s LYS 256 Cb -0.47 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 1dk8 s LYS 256 CO 0.52 0.02 0.00 0.28 -0.92 0.00 0.00 175.35 175.25