#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkh n THR 130 N 0.00 0.00 0.00 0.00 -2.24 -1.26 -5.28 114.28 105.50 1xkh n THR 130 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xkh n THR 130 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1xkh n THR 130 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1xkh n ILE 132 N 0.00 0.00 0.89 2.28 5.41 -1.26 -5.14 119.36 121.54 1xkh n ILE 132 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.85 1xkh n ILE 132 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1xkh n ILE 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xkh n THR 133 N 0.00 0.00 -2.85 1.39 -1.04 -1.26 -4.95 114.28 105.57 1xkh n THR 133 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1xkh n THR 133 Cb 0.00 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 69.70 1xkh n THR 133 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xkh n SER 134 N -0.32 0.00 0.00 8.00 3.41 -1.26 -3.14 113.62 120.31 1xkh n SER 134 Ca 0.07 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1xkh n SER 134 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1xkh n SER 134 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xkh n ASN 135 N -2.92 0.00 0.03 4.04 0.23 -1.26 -4.77 115.26 110.62 1xkh n ASN 135 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.92 1xkh n ASN 135 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1xkh n ASN 135 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1xkh h GLN 136 N 0.00 -0.08 0.00 -3.83 -0.00 -2.00 -3.01 115.11 106.18 1xkh h GLN 136 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1xkh h GLN 136 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1xkh h GLN 136 CO 0.00 0.26 -0.17 -0.07 -0.00 0.00 0.00 178.83 178.85 1xkh h LEU 137 N -0.44 0.00 0.00 0.06 3.38 -1.96 -3.43 115.31 112.92 1xkh h LEU 137 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xkh h LEU 137 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1xkh h LEU 137 CO 0.01 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1xkh n GLY 138 N 0.13 3.61 2.57 0.83 0.00 -1.14 -3.39 105.19 107.80 1xkh n GLY 138 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1xkh n GLY 138 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xkh n THR 139 N -1.11 0.29 -1.35 2.61 5.66 -1.26 -4.05 114.28 115.08 1xkh n THR 139 Ca 0.00 -0.07 -0.29 0.00 -3.05 0.00 0.00 64.05 60.64 1xkh n THR 139 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 1xkh n THR 139 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xkh s ILE 140 N -0.15 2.30 -0.07 1.09 1.01 -1.19 -4.59 121.20 119.61 1xkh s ILE 140 Ca 0.63 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.41 1xkh s ILE 140 Cb -0.89 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1xkh s ILE 140 CO 0.42 -0.13 0.09 0.35 0.00 0.00 0.00 174.94 175.67 1xkh n THR 141 N -3.88 0.00 0.00 2.92 -2.24 -1.26 -4.67 114.28 105.14 1xkh n THR 141 Ca 0.06 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1xkh n THR 141 Cb 0.57 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1xkh n THR 141 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1xkh n GLU 142 N -1.31 0.00 0.00 -0.78 2.13 -1.26 -3.91 120.64 115.50 1xkh n GLU 142 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xkh n GLU 142 Cb 0.06 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1xkh n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xkh n ASP 143 N -0.73 0.00 -4.15 4.31 2.03 -1.26 -4.95 116.55 111.79 1xkh n ASP 143 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1xkh n ASP 143 Cb 0.00 0.00 -0.21 0.00 -0.72 0.00 0.00 41.12 40.19 1xkh n ASP 143 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xkh n SER 144 N 0.00 -1.39 -3.00 1.67 7.64 -1.25 -4.64 113.62 112.65 1xkh n SER 144 Ca 0.00 -0.54 -0.03 0.00 1.01 0.00 0.00 58.87 59.31 1xkh n SER 144 Cb 0.00 -0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1xkh n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkh n GLY 145 N 5.06 1.84 2.93 0.23 0.00 -1.26 -4.63 105.19 109.37 1xkh n GLY 145 Ca 0.61 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 1xkh n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xkh s SER 146 N 4.70 2.32 0.66 1.61 0.15 -1.26 -4.95 113.70 116.93 1xkh s SER 146 Ca 0.06 -0.35 0.31 0.00 0.70 0.00 0.00 55.95 56.67 1xkh s SER 146 Cb 0.02 -0.92 1.71 0.00 -1.71 0.00 0.00 66.02 65.12 1xkh s SER 146 CO -0.00 -0.11 1.98 1.88 1.20 0.00 0.00 173.24 178.19 1xkh h TYR 147 N 8.15 0.00 -3.73 3.44 0.05 -1.85 -3.42 116.97 119.61 1xkh h TYR 147 Ca -0.32 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.97 1xkh h TYR 147 Cb 1.13 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.85 1xkh h TYR 147 CO 0.47 0.00 0.19 -0.08 -1.05 0.00 0.00 178.16 177.69 1xkh s THR 148 N -4.17 4.48 0.82 -2.88 -1.32 -1.26 -4.13 115.64 107.18 1xkh s THR 148 Ca -0.04 1.37 -0.12 0.00 -1.21 0.00 0.00 61.69 61.69 1xkh s THR 148 Cb 0.10 -3.82 0.09 0.00 -1.51 0.00 0.00 72.50 67.36 1xkh s THR 148 CO 0.33 0.06 1.17 -2.16 -2.21 0.00 0.00 174.62 171.80 1xkh s PRO 149 N -2.32 1.87 -0.08 7.08 0.04 -1.26 -4.97 135.00 135.37 1xkh s PRO 149 Ca 0.49 0.16 -0.10 0.00 0.04 0.00 0.00 61.00 61.58 1xkh s PRO 149 Cb -0.15 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1xkh s PRO 149 CO 0.20 -1.67 -0.20 0.41 0.04 0.00 0.00 177.00 175.78 1xkh n GLY 150 N -3.13 -0.37 3.37 0.56 0.00 -1.26 -4.97 105.19 99.39 1xkh n GLY 150 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1xkh n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xkh s THR 151 N -2.37 -0.51 -0.19 2.61 -4.23 -1.26 -4.53 115.64 105.17 1xkh s THR 151 Ca -0.17 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1xkh s THR 151 Cb 0.02 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 73.13 1xkh s THR 151 CO 0.25 0.04 -0.14 0.27 -0.54 0.00 0.00 174.62 174.50 1xkh s ILE 152 N 2.30 2.58 -2.33 2.99 -4.36 0.67 -4.07 121.20 118.98 1xkh s ILE 152 Ca -0.05 -0.77 0.25 0.00 -0.26 0.00 0.00 60.65 59.82 1xkh s ILE 152 Cb -0.11 -2.12 0.27 0.00 1.25 0.00 0.00 42.46 41.76 1xkh s ILE 152 CO -0.15 0.50 1.44 0.00 0.24 0.00 0.00 174.94 176.98 1xkh n ALA 153 N 4.54 2.89 0.17 2.27 0.00 -1.22 -3.70 120.51 125.46 1xkh n ALA 153 Ca -0.20 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 52.78 1xkh n ALA 153 Cb 0.51 -0.99 0.39 0.00 0.00 0.00 0.00 19.45 19.35 1xkh n ALA 153 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1xkh n THR 154 N 0.20 0.64 -0.11 0.00 5.66 -1.26 0.98 114.28 120.39 1xkh n THR 154 Ca 0.14 0.75 -0.23 0.00 -3.05 0.00 0.00 64.05 61.66 1xkh n THR 154 Cb 0.44 -1.75 -0.10 0.00 -1.55 0.00 0.00 70.33 67.37 1xkh n THR 154 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xkh n ALA 155 N -1.59 0.91 -0.51 1.79 0.00 -1.26 -4.68 120.51 115.18 1xkh n ALA 155 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.73 1xkh n ALA 155 Cb 0.29 -0.23 0.04 0.00 0.00 0.00 0.00 19.45 19.55 1xkh n ALA 155 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xkh n THR 156 N -4.38 1.05 -0.86 0.00 -2.24 -1.10 -4.70 114.28 102.05 1xkh n THR 156 Ca -0.38 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1xkh n THR 156 Cb 0.72 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1xkh n THR 156 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xkh n ARG 157 N -0.65 -1.11 -3.90 -0.78 0.63 0.28 -4.92 116.66 106.22 1xkh n ARG 157 Ca 0.04 0.28 -0.35 0.00 -0.92 0.00 0.00 57.85 56.89 1xkh n ARG 157 Cb 0.40 -4.49 -0.14 0.00 0.45 0.00 0.00 32.46 28.68 1xkh n ARG 157 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1xkh s LEU 158 N 0.00 3.16 0.17 6.15 2.96 -1.24 -4.95 118.68 124.93 1xkh s LEU 158 Ca 0.00 -0.62 -0.33 0.00 -0.22 0.00 0.00 54.13 52.95 1xkh s LEU 158 Cb 0.00 -1.73 -0.15 0.00 0.50 0.00 0.00 46.19 44.80 1xkh s LEU 158 CO 0.00 -0.09 1.25 0.55 -1.32 0.00 0.00 176.35 176.74 1xkh n VAL 159 N 4.76 0.68 -3.53 1.68 3.14 -1.26 -4.39 118.33 119.42 1xkh n VAL 159 Ca -0.17 -0.17 -0.16 0.00 -2.96 0.00 0.00 64.34 60.88 1xkh n VAL 159 Cb 0.49 -0.97 -0.06 0.00 -1.06 0.00 0.00 33.84 32.25 1xkh n VAL 159 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xkh s LEU 160 N 0.55 -0.47 0.00 6.55 1.43 -1.24 -4.94 118.68 120.56 1xkh s LEU 160 Ca 0.75 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 1xkh s LEU 160 Cb -0.83 2.41 0.16 0.00 0.03 0.00 0.00 46.19 47.96 1xkh s LEU 160 CO 0.50 -0.66 0.70 0.35 0.23 0.00 0.00 176.35 177.47 1xkh n THR 161 N 0.69 0.00 -0.03 5.49 -2.24 -1.26 -0.24 114.28 116.69 1xkh n THR 161 Ca -0.19 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1xkh n THR 161 Cb 0.58 -1.34 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 1xkh n THR 161 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xkh h PRO 162 N 0.00 0.31 -1.00 -0.78 0.11 -1.92 -2.90 132.00 125.83 1xkh h PRO 162 Ca -0.25 -0.27 0.10 0.00 0.11 0.00 0.00 66.00 65.69 1xkh h PRO 162 Cb 0.73 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 1xkh h PRO 162 CO 0.17 0.92 0.63 -0.09 -0.21 0.00 0.00 178.00 179.42 1xkh h ARG 163 N -0.21 1.02 0.00 1.05 2.43 -1.96 0.41 114.38 117.13 1xkh h ARG 163 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xkh h ARG 163 Cb 1.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1xkh h ARG 163 CO 0.07 0.68 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 1xkh n GLU 164 N -4.58 0.41 -3.61 0.20 1.02 -1.20 -4.62 120.64 108.26 1xkh n GLU 164 Ca 0.17 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.98 1xkh n GLU 164 Cb 0.29 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.10 1xkh n GLU 164 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xkh s THR 165 N -2.40 4.86 -0.95 2.62 2.01 0.14 -4.82 115.64 117.11 1xkh s THR 165 Ca 0.24 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1xkh s THR 165 Cb 0.14 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.20 1xkh s THR 165 CO 0.30 0.03 0.57 -0.81 -0.69 0.00 0.00 174.62 174.02 1xkh n PRO 166 N 5.03 1.18 -4.31 4.92 -0.04 -1.26 -4.83 135.00 135.69 1xkh n PRO 166 Ca -0.13 -0.15 -0.18 0.00 -0.04 0.00 0.00 63.50 63.00 1xkh n PRO 166 Cb 0.49 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1xkh n PRO 166 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xkh s GLN 167 N -1.07 1.23 0.14 0.54 -0.21 -1.26 -4.47 119.66 114.56 1xkh s GLN 167 Ca 0.03 -1.48 -0.31 0.00 0.02 0.00 0.00 55.36 53.62 1xkh s GLN 167 Cb 0.02 -1.04 -0.08 0.00 1.00 0.00 0.00 33.01 32.91 1xkh s GLN 167 CO 0.01 0.18 1.35 0.45 -2.12 0.00 0.00 175.29 175.16 1xkh s SER 168 N -3.05 6.86 0.04 5.90 0.15 -1.26 -5.01 113.70 117.34 1xkh s SER 168 Ca 0.18 2.33 0.01 0.00 0.70 0.00 0.00 55.95 59.17 1xkh s SER 168 Cb -0.02 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1xkh s SER 168 CO 0.05 -0.60 -0.05 -0.63 1.20 0.00 0.00 173.24 173.21 1xkh s ILE 169 N 0.78 0.31 -0.17 6.45 -1.09 -1.26 -2.83 121.20 123.38 1xkh s ILE 169 Ca 0.62 -1.16 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 1xkh s ILE 169 Cb -0.36 -0.64 0.06 0.00 -1.58 0.00 0.00 42.46 39.93 1xkh s ILE 169 CO 0.33 -0.56 0.42 -0.89 -1.23 0.00 0.00 174.94 173.01 1xkh s THR 170 N -1.92 -0.02 -0.00 2.92 2.01 -1.10 -4.99 115.64 112.54 1xkh s THR 170 Ca -0.09 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1xkh s THR 170 Cb -0.07 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 1xkh s THR 170 CO -0.02 0.04 -0.02 0.54 -0.69 0.00 0.00 174.62 174.46 1xkh s VAL 171 N 1.41 0.19 -0.32 3.82 0.11 -1.26 -2.00 120.40 122.34 1xkh s VAL 171 Ca -0.10 -0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 1xkh s VAL 171 Cb -0.08 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1xkh s VAL 171 CO -0.13 0.05 0.32 -0.69 -3.33 0.00 0.00 175.10 171.32 1xkh s VAL 172 N -0.05 5.21 1.10 2.04 1.01 -1.03 -4.84 120.40 123.85 1xkh s VAL 172 Ca 0.01 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1xkh s VAL 172 Cb -0.01 -3.75 0.25 0.00 0.00 0.00 0.00 36.38 32.87 1xkh s VAL 172 CO -0.00 0.00 1.22 0.28 0.00 0.00 0.00 175.10 176.60 1xkh s THR 173 N 1.94 1.78 -0.04 3.92 -1.32 -1.26 -2.87 115.64 117.79 1xkh s THR 173 Ca 0.11 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.41 1xkh s THR 173 Cb -0.17 -2.73 -0.31 0.00 -1.51 0.00 0.00 72.50 67.78 1xkh s THR 173 CO 0.11 0.00 0.80 -0.09 -2.21 0.00 0.00 174.62 173.23 1xkh h ARG 174 N -2.17 0.36 0.00 7.08 9.65 -1.78 -3.18 114.38 124.34 1xkh h ARG 174 Ca -0.44 -0.62 0.00 0.00 -1.10 0.00 0.00 59.98 57.82 1xkh h ARG 174 Cb 1.26 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1xkh h ARG 174 CO 0.34 1.30 0.00 0.94 2.80 0.00 0.00 179.97 185.35 1xkh n GLN 175 N -3.89 0.14 -0.15 0.20 -0.06 -1.26 -1.24 117.38 111.12 1xkh n GLN 175 Ca -0.19 0.64 0.01 0.00 -2.00 0.00 0.00 57.00 55.46 1xkh n GLN 175 Cb 0.95 -1.97 0.07 0.00 -4.06 0.00 0.00 30.24 25.23 1xkh n GLN 175 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1xkh n ASN 176 N -2.28 1.81 0.00 1.69 2.85 -1.20 -2.76 115.26 115.36 1xkh n ASN 176 Ca -0.01 -2.16 0.00 0.00 -0.11 0.00 0.00 54.58 52.30 1xkh n ASN 176 Cb 0.04 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.53 1xkh n ASN 176 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1xkh n ASP 178 N 0.11 0.00 -0.34 1.20 8.00 -0.37 -2.65 116.55 122.50 1xkh n ASP 178 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 1xkh n ASP 178 Cb 0.41 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1xkh n ASP 178 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xkh h ASP 179 N 0.00 -1.41 -0.24 -2.24 3.32 -1.76 -1.15 116.42 112.93 1xkh h ASP 179 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1xkh h ASP 179 Cb 0.00 0.72 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xkh h ASP 179 CO 0.00 -0.29 0.00 0.49 -1.72 0.00 0.00 179.24 177.72 1xkh n PHE 180 N -5.45 0.32 -3.57 4.55 3.01 -1.08 -4.93 117.46 110.32 1xkh n PHE 180 Ca 0.08 -0.16 -0.20 0.00 1.01 0.00 0.00 57.45 58.17 1xkh n PHE 180 Cb 0.38 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.90 1xkh n PHE 180 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xkh n GLY 181 N 0.90 -0.52 3.44 1.37 0.00 -0.44 -4.88 105.19 105.06 1xkh n GLY 181 Ca 0.09 0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 1xkh n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkh s LEU 182 N -6.38 5.29 0.00 0.99 1.43 -1.26 -4.90 118.68 113.85 1xkh s LEU 182 Ca 0.12 -2.36 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 1xkh s LEU 182 Cb -0.03 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1xkh s LEU 182 CO 0.79 -0.92 0.27 0.59 0.23 0.00 0.00 176.35 177.31 1xkh n ASN 183 N 5.95 0.00 -4.89 2.29 3.02 -1.26 -4.83 115.26 115.53 1xkh n ASN 183 Ca 0.25 0.58 -0.30 0.00 -0.03 0.00 0.00 54.58 55.09 1xkh n ASN 183 Cb 0.47 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1xkh n ASN 183 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xkh s ASN 184 N -2.50 5.43 0.21 6.41 2.20 -1.26 -4.35 114.94 121.08 1xkh s ASN 184 Ca 0.00 1.05 -0.09 0.00 -0.94 0.00 0.00 52.86 52.89 1xkh s ASN 184 Cb 0.00 -1.87 0.27 0.00 -2.00 0.00 0.00 41.25 37.66 1xkh s ASN 184 CO 0.00 -1.32 1.79 -0.29 -2.94 0.00 0.00 177.10 174.34 1xkh h ILE 185 N -0.60 0.91 -0.79 0.54 -0.00 -1.35 -1.15 117.51 115.08 1xkh h ILE 185 Ca -0.45 -0.21 0.14 0.00 -0.00 0.00 0.00 64.86 64.34 1xkh h ILE 185 Cb 1.26 0.23 -0.14 0.00 -0.00 0.00 0.00 36.82 38.16 1xkh h ILE 185 CO 0.63 0.11 -0.29 0.44 -0.00 0.00 0.00 178.15 179.05 1xkh h ASP 186 N 0.62 -1.06 0.00 2.19 3.32 -1.87 2.37 116.42 121.99 1xkh h ASP 186 Ca 0.31 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1xkh h ASP 186 Cb 0.26 0.59 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1xkh h ASP 186 CO -0.22 -0.29 0.00 0.47 -1.72 0.00 0.00 179.24 177.48 1xkh n ASP 187 N -5.49 0.00 -0.83 6.45 8.00 -0.44 -0.90 116.55 123.34 1xkh n ASP 187 Ca 0.09 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.62 1xkh n ASP 187 Cb 0.39 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.70 1xkh n ASP 187 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1xkh n VAL 188 N -0.60 2.32 0.00 2.53 0.31 0.80 -4.34 118.33 119.35 1xkh n VAL 188 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 64.34 61.86 1xkh n VAL 188 Cb 0.00 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1xkh n VAL 188 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xkh n ARG 190 N -1.00 0.00 0.00 5.55 1.74 -0.08 0.11 116.66 122.98 1xkh n ARG 190 Ca 0.25 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.46 1xkh n ARG 190 Cb 0.89 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 32.72 1xkh n ARG 190 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xkh n HIS 191 N 0.00 0.00 -2.79 -1.55 8.25 -1.26 -4.88 115.22 112.99 1xkh n HIS 191 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1xkh n HIS 191 Cb 0.00 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 1xkh n HIS 191 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xkh s THR 192 N -2.05 4.25 -0.03 1.59 2.01 0.30 -5.02 115.64 116.69 1xkh s THR 192 Ca 0.34 1.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 1xkh s THR 192 Cb 0.21 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1xkh s THR 192 CO 0.35 -0.01 0.48 -2.16 -0.69 0.00 0.00 174.62 172.59 1xkh s PRO 193 N -2.42 4.16 0.00 4.92 0.04 -1.26 -4.03 135.00 136.41 1xkh s PRO 193 Ca 0.54 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1xkh s PRO 193 Cb -0.16 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1xkh s PRO 193 CO 0.20 0.46 0.00 0.41 0.04 0.00 0.00 177.00 178.11 1xkh n GLY 194 N 2.39 1.74 3.76 0.56 0.00 -1.26 -5.01 105.19 107.38 1xkh n GLY 194 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1xkh n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkh s ILE 195 N -2.45 4.42 -0.12 -0.61 1.01 -1.26 -4.45 121.20 117.74 1xkh s ILE 195 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1xkh s ILE 195 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1xkh s ILE 195 CO 0.00 0.08 -0.20 -0.89 0.00 0.00 0.00 174.94 173.93 1xkh s THR 196 N -1.44 1.88 -0.48 2.92 2.01 -0.86 -4.92 115.64 114.76 1xkh s THR 196 Ca 0.29 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 1xkh s THR 196 Cb -0.12 -1.67 0.04 0.00 0.01 0.00 0.00 72.50 70.76 1xkh s THR 196 CO 0.22 0.52 0.62 -0.69 -0.69 0.00 0.00 174.62 174.60 1xkh s VAL 197 N 0.80 4.86 0.21 3.82 1.01 -1.26 -0.87 120.40 128.97 1xkh s VAL 197 Ca -0.08 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xkh s VAL 197 Cb -0.16 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1xkh s VAL 197 CO -0.00 -0.72 0.06 -0.55 0.00 0.00 0.00 175.10 173.89 1xkh s SER 198 N 2.40 4.99 0.23 3.32 0.15 -0.63 -4.96 113.70 119.19 1xkh s SER 198 Ca 0.18 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.55 1xkh s SER 198 Cb -0.17 -1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1xkh s SER 198 CO 0.14 0.04 -0.21 0.00 1.20 0.00 0.00 173.24 174.41 1xkh s ALA 199 N -1.97 2.53 -0.00 5.45 0.00 -1.24 0.64 121.76 127.17 1xkh s ALA 199 Ca 0.30 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 1xkh s ALA 199 Cb -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1xkh s ALA 199 CO 0.21 0.32 -0.02 0.66 0.00 0.00 0.00 175.76 176.93 1xkh n TYR 200 N -0.13 0.00 -3.86 0.00 4.01 0.13 -4.64 117.16 112.67 1xkh n TYR 200 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.55 1xkh n TYR 200 Cb 0.58 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 1xkh n TYR 200 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1xkh s ASP 201 N -4.70 0.09 0.04 7.72 -4.77 -0.96 0.22 116.67 114.32 1xkh s ASP 201 Ca -0.02 -0.55 -0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1xkh s ASP 201 Cb 0.00 0.32 0.07 0.00 -1.09 0.00 0.00 42.92 42.21 1xkh s ASP 201 CO 0.03 -0.66 0.23 0.35 0.70 0.00 0.00 175.17 175.82 1xkh n THR 202 N 0.24 -0.06 -0.69 2.11 -2.24 -1.26 0.27 114.28 112.64 1xkh n THR 202 Ca -0.17 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 1xkh n THR 202 Cb 0.61 -0.47 0.36 0.00 -2.10 0.00 0.00 70.33 68.73 1xkh n THR 202 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xkh n ASP 203 N -4.24 4.92 -3.67 3.42 9.92 -1.26 -4.87 116.55 120.76 1xkh n ASP 203 Ca 0.02 -2.56 -0.19 0.00 -0.53 0.00 0.00 54.79 51.53 1xkh n ASP 203 Cb 0.07 -0.59 -0.17 0.00 -0.64 0.00 0.00 41.12 39.79 1xkh n ASP 203 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1xkh s ARG 204 N -2.06 -0.05 0.22 -1.24 0.52 0.77 -4.97 118.95 112.15 1xkh s ARG 204 Ca 0.51 0.42 0.09 0.00 -0.52 0.00 0.00 55.73 56.24 1xkh s ARG 204 Cb 0.35 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 35.33 1xkh s ARG 204 CO 0.22 -0.32 -0.16 -0.80 0.02 0.00 0.00 175.30 174.26 1xkh s ASN 205 N 2.18 2.81 0.11 0.23 0.02 -1.26 -0.69 114.94 118.34 1xkh s ASN 205 Ca 0.04 -1.02 0.08 0.00 -1.02 0.00 0.00 52.86 50.94 1xkh s ASN 205 Cb -0.12 -0.17 -0.04 0.00 0.02 0.00 0.00 41.25 40.94 1xkh s ASN 205 CO -0.04 -0.12 -0.19 0.54 0.02 0.00 0.00 177.10 177.31 1xkh s ASN 206 N -3.35 2.46 -0.21 -1.22 2.20 0.21 -4.90 114.94 110.13 1xkh s ASN 206 Ca 0.24 -0.73 -0.05 0.00 -0.94 0.00 0.00 52.86 51.38 1xkh s ASN 206 Cb -0.02 -0.13 -0.02 0.00 -2.00 0.00 0.00 41.25 39.08 1xkh s ASN 206 CO 0.09 0.01 -0.01 -0.31 -2.94 0.00 0.00 177.10 173.94 1xkh s TYR 207 N -1.43 3.01 -0.25 1.54 2.02 -1.26 -1.61 117.35 119.37 1xkh s TYR 207 Ca 0.08 -0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 55.96 1xkh s TYR 207 Cb -0.09 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1xkh s TYR 207 CO 0.04 -0.37 0.58 0.71 -1.57 0.00 0.00 175.55 174.94 1xkh s TYR 208 N 1.27 3.29 -0.26 2.71 2.02 -0.05 0.43 117.35 126.76 1xkh s TYR 208 Ca 0.04 0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1xkh s TYR 208 Cb -0.15 -2.78 0.07 0.00 -0.40 0.00 0.00 41.96 38.71 1xkh s TYR 208 CO 0.00 -0.28 0.01 0.00 -1.57 0.00 0.00 175.55 173.72 1xkh s ALA 209 N 2.31 1.76 -0.98 3.71 0.00 0.18 -2.04 121.76 126.69 1xkh s ALA 209 Ca 0.24 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 1xkh s ALA 209 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1xkh s ALA 209 CO 0.09 -1.36 0.76 0.54 0.00 0.00 0.00 175.76 175.79 1xkh n ARG 210 N 4.75 -1.43 0.00 0.00 1.74 -1.26 -2.11 116.66 118.34 1xkh n ARG 210 Ca -0.07 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1xkh n ARG 210 Cb 0.44 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.41 1xkh n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkh n GLY 211 N -1.63 2.04 3.78 -0.13 0.00 -1.26 -4.83 105.19 103.17 1xkh n GLY 211 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1xkh n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xkh s PHE 212 N -1.44 2.29 -0.22 1.61 0.08 -0.90 -4.79 117.98 114.61 1xkh s PHE 212 Ca 0.00 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.27 1xkh s PHE 212 Cb 0.00 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1xkh s PHE 212 CO 0.00 0.03 0.12 -1.12 -0.10 0.00 0.00 175.22 174.15 1xkh s SER 213 N -4.00 5.92 0.10 1.36 0.01 -1.26 0.49 113.70 116.32 1xkh s SER 213 Ca 0.35 0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.40 1xkh s SER 213 Cb 0.02 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 1xkh s SER 213 CO 0.20 0.11 1.40 -0.63 0.41 0.00 0.00 173.24 174.73 1xkh s ILE 214 N 0.77 3.35 -0.31 1.44 1.01 0.17 -4.79 121.20 122.83 1xkh s ILE 214 Ca 0.06 0.94 0.17 0.00 0.00 0.00 0.00 60.65 61.82 1xkh s ILE 214 Cb -0.13 -3.61 0.45 0.00 0.01 0.00 0.00 42.46 39.19 1xkh s ILE 214 CO 0.02 0.06 1.32 -3.20 0.00 0.00 0.00 174.94 173.15 1xkh n ASN 215 N 4.15 -0.13 -3.58 3.58 2.85 -1.26 -4.54 115.26 116.33 1xkh n ASN 215 Ca 0.12 -2.19 -0.25 0.00 -0.11 0.00 0.00 54.58 52.15 1xkh n ASN 215 Cb 0.42 0.18 -0.16 0.00 1.24 0.00 0.00 39.78 41.47 1xkh n ASN 215 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1xkh s ASN 216 N -2.31 2.25 -0.09 1.20 0.01 -1.26 -4.69 114.94 110.04 1xkh s ASN 216 Ca 0.18 -0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1xkh s ASN 216 Cb 0.40 -0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.91 1xkh s ASN 216 CO -0.08 -0.35 -0.01 -0.36 -1.51 0.00 0.00 177.10 174.78 1xkh s PHE 217 N 2.18 3.11 -0.24 2.20 0.40 -1.26 -1.34 117.98 123.03 1xkh s PHE 217 Ca 0.04 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 1xkh s PHE 217 Cb -0.16 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.63 1xkh s PHE 217 CO -0.12 0.38 -0.07 -1.14 0.70 0.00 0.00 175.22 174.97 1xkh s GLN 218 N -0.70 1.76 -0.26 0.44 0.74 -0.68 -2.18 119.66 118.78 1xkh s GLN 218 Ca 0.11 -1.04 -0.16 0.00 0.05 0.00 0.00 55.36 54.32 1xkh s GLN 218 Cb -0.12 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 1xkh s GLN 218 CO 0.02 -0.58 0.42 0.71 -0.55 0.00 0.00 175.29 175.31 1xkh s TYR 219 N 1.34 3.26 -1.67 1.67 1.51 0.49 -1.85 117.35 122.12 1xkh s TYR 219 Ca -0.06 0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 56.32 1xkh s TYR 219 Cb -0.19 -2.61 0.14 0.00 -0.11 0.00 0.00 41.96 39.19 1xkh s TYR 219 CO -0.06 -0.23 0.84 -0.25 -1.11 0.00 0.00 175.55 174.74 1xkh n ASP 220 N 5.33 -3.72 0.00 2.29 8.00 -0.95 0.41 116.55 127.91 1xkh n ASP 220 Ca -0.07 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1xkh n ASP 220 Cb 0.50 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 1xkh n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xkh n GLY 221 N -1.46 1.36 3.75 0.44 0.00 -1.26 -5.03 105.19 102.98 1xkh n GLY 221 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1xkh n GLY 221 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xkh s ILE 222 N -3.11 5.40 1.10 -0.61 -1.09 0.17 -4.96 121.20 118.09 1xkh s ILE 222 Ca 0.00 0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.43 1xkh s ILE 222 Cb 0.00 -3.44 0.25 0.00 -1.58 0.00 0.00 42.46 37.68 1xkh s ILE 222 CO 0.00 0.47 1.19 -2.16 -1.23 0.00 0.00 174.94 173.21 1xkh s PRO 223 N 0.15 -0.43 0.03 2.79 0.04 -1.26 0.19 135.00 136.51 1xkh s PRO 223 Ca 0.09 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 60.96 1xkh s PRO 223 Cb -0.11 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1xkh s PRO 223 CO -0.01 -3.17 -0.05 -1.54 0.04 0.00 0.00 177.00 172.27 1xkh s SER 224 N -4.27 0.54 -0.32 6.66 1.04 -0.93 -4.71 113.70 111.72 1xkh s SER 224 Ca 0.72 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.72 1xkh s SER 224 Cb -0.08 0.07 0.60 0.00 0.10 0.00 0.00 66.02 66.71 1xkh s SER 224 CO 0.55 -0.25 1.64 0.35 0.98 0.00 0.00 173.24 176.51 1xkh n THR 225 N 1.54 2.75 -0.34 2.02 -2.24 -1.26 -4.44 114.28 112.30 1xkh n THR 225 Ca -0.23 -2.18 -0.14 0.00 -2.27 0.00 0.00 64.05 59.23 1xkh n THR 225 Cb 0.55 -0.35 0.08 0.00 -2.10 0.00 0.00 70.33 68.50 1xkh n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xkh n ALA 226 N -0.83 4.38 -0.37 6.98 0.00 -1.26 -4.69 120.51 124.73 1xkh n ALA 226 Ca 0.39 -1.53 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 1xkh n ALA 226 Cb 1.24 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.42 1xkh n ALA 226 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xkh n ARG 227 N -0.15 -0.27 -2.32 0.00 3.00 -1.26 -4.55 116.66 111.11 1xkh n ARG 227 Ca 0.30 1.41 -0.43 0.00 -0.00 0.00 0.00 57.85 59.14 1xkh n ARG 227 Cb 0.94 -2.09 -0.02 0.00 0.00 0.00 0.00 32.46 31.29 1xkh n ARG 227 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1xkh s ASN 228 N -5.37 6.90 0.00 6.15 3.84 -1.26 -4.92 114.94 120.28 1xkh s ASN 228 Ca -0.12 1.89 0.25 0.00 0.21 0.00 0.00 52.86 55.09 1xkh s ASN 228 Cb 0.16 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.85 1xkh s ASN 228 CO 0.63 -0.74 1.43 1.33 -2.79 0.00 0.00 177.10 176.96 1xkh n VAL 229 N 5.09 0.00 0.01 -5.21 0.24 -1.26 -3.62 118.33 113.58 1xkh n VAL 229 Ca 0.14 -0.05 0.01 0.00 -2.04 0.00 0.00 64.34 62.40 1xkh n VAL 229 Cb 0.45 0.37 0.33 0.00 -1.47 0.00 0.00 33.84 33.51 1xkh n VAL 229 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1xkh h GLY 230 N 4.97 0.53 -5.64 7.63 0.00 -1.97 -2.14 103.07 106.45 1xkh h GLY 230 Ca 0.00 -0.30 -0.59 0.00 0.00 0.00 0.00 47.33 46.44 1xkh h GLY 230 CO 0.00 0.28 -0.63 -1.72 0.00 0.00 0.00 176.54 174.47 1xkh n TYR 231 N -4.31 3.85 -2.39 5.60 4.02 -1.24 -5.08 117.16 117.61 1xkh n TYR 231 Ca 0.01 -4.06 -0.35 0.00 -0.01 0.00 0.00 57.90 53.50 1xkh n TYR 231 Cb 0.22 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 39.01 1xkh n TYR 231 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1xkh s SER 232 N -3.08 6.18 -0.30 7.72 1.04 -0.81 -4.87 113.70 119.57 1xkh s SER 232 Ca 0.45 2.10 -0.08 0.00 0.48 0.00 0.00 55.95 58.90 1xkh s SER 232 Cb 0.23 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.94 1xkh s SER 232 CO -0.09 -0.90 0.78 0.00 0.98 0.00 0.00 173.24 174.01 1xkh s ALA 233 N -1.77 -2.52 0.00 5.32 0.00 -1.26 -4.85 121.76 116.68 1xkh s ALA 233 Ca 0.67 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1xkh s ALA 233 Cb -0.22 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1xkh s ALA 233 CO 0.26 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1xkh n GLY 234 N 5.35 1.91 0.27 0.00 0.00 -1.26 -4.85 105.19 106.60 1xkh n GLY 234 Ca -0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1xkh n GLY 234 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xkh h ASN 235 N 0.00 -0.90 0.00 1.61 2.35 -1.96 -2.68 115.58 114.00 1xkh h ASN 235 Ca 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xkh h ASN 235 Cb 0.00 0.33 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xkh h ASN 235 CO 0.00 -0.31 0.00 1.07 -1.65 0.00 0.00 177.43 176.54 1xkh n THR 236 N -4.13 0.00 -3.15 2.81 5.66 -1.26 -4.24 114.28 109.97 1xkh n THR 236 Ca -0.05 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.00 1xkh n THR 236 Cb 0.23 -0.68 -0.01 0.00 -1.55 0.00 0.00 70.33 68.32 1xkh n THR 236 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1xkh s LEU 237 N -1.06 -0.99 -0.15 1.09 2.34 -1.01 -4.47 118.68 114.44 1xkh s LEU 237 Ca 0.00 0.46 -0.03 0.00 0.06 0.00 0.00 54.13 54.63 1xkh s LEU 237 Cb 0.00 1.77 0.05 0.00 -0.56 0.00 0.00 46.19 47.44 1xkh s LEU 237 CO 0.00 -0.18 0.03 -0.44 -1.06 0.00 0.00 176.35 174.70 1xkh s SER 238 N 2.90 2.37 0.27 1.48 0.01 -1.26 -4.82 113.70 114.65 1xkh s SER 238 Ca 0.12 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1xkh s SER 238 Cb -0.11 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1xkh s SER 238 CO -0.19 -0.27 0.00 -0.67 0.41 0.00 0.00 173.24 172.52 1xkh n ASP 239 N 5.11 -0.53 0.00 2.44 -0.08 -1.26 -0.88 116.55 121.34 1xkh n ASP 239 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1xkh n ASP 239 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1xkh n ASP 239 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xkh n ALA 241 N -2.85 0.00 0.00 -1.67 0.00 -1.26 -4.78 120.51 109.95 1xkh n ALA 241 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xkh n ALA 241 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xkh n ALA 241 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1xkh n ILE 242 N -2.30 0.00 -3.66 0.00 -5.35 -1.26 -4.85 119.36 101.93 1xkh n ILE 242 Ca 0.00 -0.09 -0.24 0.00 -0.27 0.00 0.00 62.75 62.15 1xkh n ILE 242 Cb 0.00 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1xkh n ILE 242 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xkh s TYR 243 N -0.40 3.48 -0.21 4.28 1.51 -1.26 -0.59 117.35 124.16 1xkh s TYR 243 Ca 0.00 0.23 0.22 0.00 -1.01 0.00 0.00 57.07 56.52 1xkh s TYR 243 Cb 0.00 -1.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1xkh s TYR 243 CO 0.00 0.30 0.92 -3.47 -1.11 0.00 0.00 175.55 172.19 1xkh n ASP 244 N -1.31 0.65 -3.61 2.29 2.03 0.46 -4.68 116.55 112.39 1xkh n ASP 244 Ca -0.06 0.23 -0.04 0.00 0.52 0.00 0.00 54.79 55.44 1xkh n ASP 244 Cb 0.56 0.80 -0.03 0.00 -0.72 0.00 0.00 41.12 41.73 1xkh n ASP 244 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xkh s ARG 245 N -3.39 0.23 -0.25 -0.67 1.70 -1.24 -3.28 118.95 112.05 1xkh s ARG 245 Ca -0.02 -0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.21 1xkh s ARG 245 Cb 0.11 0.10 0.06 0.00 -0.57 0.00 0.00 34.95 34.65 1xkh s ARG 245 CO 0.82 -0.09 -0.08 0.54 -1.08 0.00 0.00 175.30 175.40 1xkh s VAL 246 N -1.93 1.85 -0.34 4.99 0.11 -1.14 -1.69 120.40 122.25 1xkh s VAL 246 Ca 0.09 -1.42 -0.14 0.00 -2.93 0.00 0.00 61.98 57.58 1xkh s VAL 246 Cb -0.01 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1xkh s VAL 246 CO -0.04 -0.05 0.29 -1.83 -3.33 0.00 0.00 175.10 170.14 1xkh s GLU 247 N 1.25 3.53 -0.25 1.54 -1.05 -0.13 -2.46 118.70 121.14 1xkh s GLU 247 Ca -0.07 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.09 1xkh s GLU 247 Cb -0.19 -3.81 -0.05 0.00 -0.44 0.00 0.00 34.13 29.64 1xkh s GLU 247 CO -0.06 -0.48 0.20 0.54 0.95 0.00 0.00 175.26 176.42 1xkh s VAL 248 N 1.85 5.32 -0.73 1.83 0.11 -0.85 -1.18 120.40 126.76 1xkh s VAL 248 Ca 0.09 0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.24 1xkh s VAL 248 Cb -0.17 -3.54 0.19 0.00 -1.53 0.00 0.00 36.38 31.33 1xkh s VAL 248 CO 0.11 0.31 0.67 -0.22 -3.33 0.00 0.00 175.10 172.64 1xkh s LEU 249 N 1.28 6.52 0.39 2.54 2.96 -0.71 -2.72 118.68 128.94 1xkh s LEU 249 Ca 0.09 -2.41 -0.25 0.00 -0.22 0.00 0.00 54.13 51.34 1xkh s LEU 249 Cb -0.14 -2.19 -0.09 0.00 0.50 0.00 0.00 46.19 44.26 1xkh s LEU 249 CO 0.06 -0.65 1.05 -0.54 -1.32 0.00 0.00 176.35 174.95 1xkh s LYS 250 N 0.61 4.22 0.00 1.98 1.02 -1.13 -2.05 119.74 124.39 1xkh s LYS 250 Ca 0.13 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1xkh s LYS 250 Cb -0.17 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1xkh s LYS 250 CO -0.05 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1xkh n GLY 251 N 0.43 1.03 2.52 -3.33 0.00 0.25 -4.00 105.19 102.08 1xkh n GLY 251 Ca 0.04 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1xkh n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 252 N -1.95 0.76 -0.18 4.61 0.00 -1.26 -3.07 121.76 120.67 1xkh s ALA 252 Ca 0.00 -1.39 0.29 0.00 0.00 0.00 0.00 51.96 50.86 1xkh s ALA 252 Cb 0.00 -1.48 1.19 0.00 0.00 0.00 0.00 23.12 22.84 1xkh s ALA 252 CO 0.00 -1.82 1.85 0.00 0.00 0.00 0.00 175.76 175.80 1xkh h THR 253 N 5.90 0.00 -0.41 0.00 1.03 -1.85 -3.34 112.91 114.24 1xkh h THR 253 Ca -0.10 -0.36 0.13 0.00 -0.01 0.00 0.00 66.41 66.07 1xkh h THR 253 Cb 0.99 1.23 -0.03 0.00 -1.07 0.00 0.00 68.15 69.27 1xkh h THR 253 CO 0.38 0.00 0.28 0.61 -0.01 0.00 0.00 175.52 176.78 1xkh n GLY 254 N -0.01 -0.23 0.30 2.99 0.00 -0.80 -1.79 105.19 105.64 1xkh n GLY 254 Ca 0.01 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1xkh n GLY 254 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xkh h LEU 255 N 0.00 -0.85 0.00 0.99 5.85 -1.77 -3.34 115.31 116.19 1xkh h LEU 255 Ca 0.24 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 1xkh h LEU 255 Cb 0.83 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1xkh h LEU 255 CO -0.08 -0.33 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.06 1xkh h LEU 256 N -0.38 0.00-10.12 2.25 3.38 -1.63 -3.42 115.31 105.38 1xkh h LEU 256 Ca 0.08 -0.30 -0.47 0.00 0.09 0.00 0.00 57.88 57.29 1xkh h LEU 256 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xkh h LEU 256 CO -0.29 0.96 0.27 0.28 0.09 0.00 0.00 178.44 179.75 1xkh s THR 257 N -2.14 4.56 0.00 0.22 -1.32 -1.22 -5.04 115.64 110.70 1xkh s THR 257 Ca -0.17 1.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 1xkh s THR 257 Cb 0.02 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.34 1xkh s THR 257 CO 0.35 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1xkh n GLY 258 N -1.08 1.01 3.67 6.08 0.00 -1.26 -4.16 105.19 109.45 1xkh n GLY 258 Ca 0.05 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1xkh n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh n ALA 259 N -3.00 0.17 -3.00 4.61 0.00 -1.26 -4.61 120.51 113.41 1xkh n ALA 259 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xkh n ALA 259 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1xkh n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xkh n GLY 260 N 0.84 1.06 3.09 0.00 0.00 0.31 -4.96 105.19 105.53 1xkh n GLY 260 Ca 0.14 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1xkh n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xkh s SER 261 N 2.00 1.05 0.57 1.61 0.01 -1.26 -4.71 113.70 112.97 1xkh s SER 261 Ca 0.00 -0.55 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 1xkh s SER 261 Cb 0.00 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1xkh s SER 261 CO 0.00 -0.16 1.18 -0.76 0.41 0.00 0.00 173.24 173.91 1xkh s LEU 262 N -1.56 3.71 0.00 2.44 1.43 -1.26 -4.40 118.68 119.04 1xkh s LEU 262 Ca -0.08 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1xkh s LEU 262 Cb -0.10 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1xkh s LEU 262 CO 0.01 -1.44 0.00 0.61 0.23 0.00 0.00 176.35 175.76 1xkh n GLY 263 N 0.38 1.95 3.37 -3.19 0.00 -1.17 -4.42 105.19 102.10 1xkh n GLY 263 Ca 0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1xkh n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 264 N -1.91 -1.14 -0.21 4.61 0.00 -1.26 0.87 121.76 122.73 1xkh s ALA 264 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1xkh s ALA 264 Cb 0.00 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1xkh s ALA 264 CO 0.00 -0.70 -0.13 0.99 0.00 0.00 0.00 175.76 175.93 1xkh s THR 265 N -3.79 1.84 0.80 0.00 2.01 -0.87 -4.37 115.64 111.26 1xkh s THR 265 Ca 0.03 -1.11 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 1xkh s THR 265 Cb 0.01 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.73 1xkh s THR 265 CO -0.12 0.22 1.12 -0.63 -0.69 0.00 0.00 174.62 174.52 1xkh s ILE 266 N 1.31 2.91 -0.45 1.82 -1.09 -0.45 -1.74 121.20 123.51 1xkh s ILE 266 Ca -0.01 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.79 1xkh s ILE 266 Cb -0.16 -2.68 0.18 0.00 -1.58 0.00 0.00 42.46 38.21 1xkh s ILE 266 CO -0.09 -0.37 0.62 0.21 -1.23 0.00 0.00 174.94 174.09 1xkh s ASN 267 N -3.03 -0.98 0.80 3.58 2.47 -0.32 -1.68 114.94 115.77 1xkh s ASN 267 Ca 0.64 -1.43 -0.11 0.00 0.42 0.00 0.00 52.86 52.38 1xkh s ASN 267 Cb -0.20 1.61 0.08 0.00 -1.45 0.00 0.00 41.25 41.29 1xkh s ASN 267 CO 0.54 -0.13 1.12 -0.76 -3.72 0.00 0.00 177.10 174.15 1xkh s LEU 268 N 1.27 3.03 -0.09 3.21 1.43 -0.77 -0.95 118.68 125.81 1xkh s LEU 268 Ca 0.23 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 1xkh s LEU 268 Cb -0.03 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.69 1xkh s LEU 268 CO -0.06 -2.33 0.18 -0.63 0.23 0.00 0.00 176.35 173.73 1xkh s ILE 269 N -2.72 -0.24 0.71 -0.59 1.01 -0.68 -2.23 121.20 116.46 1xkh s ILE 269 Ca 0.64 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.48 1xkh s ILE 269 Cb -0.20 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 41.98 1xkh s ILE 269 CO 0.54 0.13 1.08 -0.13 0.00 0.00 0.00 174.94 176.56 1xkh s ARG 270 N 2.09 2.70 -0.15 2.79 0.52 -1.26 0.18 118.95 125.81 1xkh s ARG 270 Ca 0.00 1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 56.04 1xkh s ARG 270 Cb -0.12 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1xkh s ARG 270 CO -0.06 -1.30 1.38 0.15 0.02 0.00 0.00 175.30 175.50 1xkh s LYS 271 N -4.77 4.17 -0.04 3.54 1.02 0.24 -4.26 119.74 119.64 1xkh s LYS 271 Ca 0.61 1.76 -0.12 0.00 0.02 0.00 0.00 55.97 58.23 1xkh s LYS 271 Cb -0.16 -3.85 -0.05 0.00 -0.52 0.00 0.00 37.83 33.25 1xkh s LYS 271 CO 0.52 -0.81 0.32 0.15 -0.92 0.00 0.00 175.35 174.61 1xkh s LYS 272 N 3.76 3.78 0.44 1.68 -0.14 -1.26 -4.94 119.74 123.05 1xkh s LYS 272 Ca 0.60 0.23 -0.22 0.00 -1.36 0.00 0.00 55.97 55.22 1xkh s LYS 272 Cb -0.24 -3.22 -0.11 0.00 -1.68 0.00 0.00 37.83 32.58 1xkh s LYS 272 CO 0.20 0.71 0.71 -0.35 -0.76 0.00 0.00 175.35 175.85 1xkh n PRO 273 N 1.92 0.81 -3.75 -1.68 -0.04 -1.26 -4.99 135.00 126.00 1xkh n PRO 273 Ca -0.16 0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 1xkh n PRO 273 Cb 0.53 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1xkh n PRO 273 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xkh s THR 274 N -1.43 5.40 0.02 0.52 -1.32 -1.26 -4.95 115.64 112.62 1xkh s THR 274 Ca 0.64 0.33 -0.06 0.00 -1.21 0.00 0.00 61.69 61.39 1xkh s THR 274 Cb -0.57 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 66.91 1xkh s THR 274 CO 0.57 0.55 1.10 0.45 -2.21 0.00 0.00 174.62 175.07 1xkh h HIS 275 N 5.53 -0.28 -4.39 9.09 3.86 -1.94 -3.27 115.15 123.76 1xkh h HIS 275 Ca -0.50 0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 58.25 1xkh h HIS 275 Cb 1.20 0.12 0.11 0.00 1.06 0.00 0.00 27.41 29.90 1xkh h HIS 275 CO 0.69 -0.11 0.36 -2.00 0.86 0.00 0.00 177.93 177.73 1xkh s GLU 276 N -3.50 1.89 0.83 2.45 2.12 -1.26 -3.77 118.70 117.46 1xkh s GLU 276 Ca -0.03 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 1xkh s GLU 276 Cb 0.01 -1.92 0.09 0.00 0.26 0.00 0.00 34.13 32.57 1xkh s GLU 276 CO 0.11 -1.70 1.09 0.12 -0.54 0.00 0.00 175.26 174.34 1xkh s PHE 277 N -3.33 2.52 0.00 5.30 5.36 -1.26 -4.53 117.98 122.04 1xkh s PHE 277 Ca 0.62 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 1xkh s PHE 277 Cb -0.13 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1xkh s PHE 277 CO 0.52 -2.03 0.00 1.17 -1.46 0.00 0.00 175.22 173.42 1xkh n LYS 278 N -3.65 0.00 -3.27 10.12 4.81 -0.85 -4.97 118.16 120.35 1xkh n LYS 278 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1xkh n LYS 278 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1xkh n LYS 278 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xkh n GLY 279 N -0.23 -1.33 0.00 3.14 0.00 -1.26 -0.62 105.19 104.88 1xkh n GLY 279 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1xkh n GLY 279 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xkh n HIS 280 N 1.93 0.00 -3.70 1.61 1.44 0.27 -4.94 115.22 111.83 1xkh n HIS 280 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1xkh n HIS 280 Cb 0.00 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 29.94 1xkh n HIS 280 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xkh s VAL 281 N -2.00 -0.11 -0.06 0.61 0.11 -1.26 -0.28 120.40 117.40 1xkh s VAL 281 Ca 0.00 0.36 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1xkh s VAL 281 Cb 0.00 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1xkh s VAL 281 CO 0.00 0.15 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.09 1xkh s GLU 282 N 1.87 2.65 0.00 1.54 2.12 -1.04 -3.20 118.70 122.65 1xkh s GLU 282 Ca 0.01 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1xkh s GLU 282 Cb -0.12 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.82 1xkh s GLU 282 CO -0.03 0.58 0.00 1.28 -0.54 0.00 0.00 175.26 176.54 1xkh n LEU 283 N 2.45 0.00 0.00 2.70 4.77 -1.17 -1.09 117.00 124.65 1xkh n LEU 283 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1xkh n LEU 283 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1xkh n LEU 283 CO 0.26 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1xkh n GLY 284 N 5.00 4.21 2.99 -0.72 0.00 -1.16 -4.34 105.19 111.18 1xkh n GLY 284 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1xkh n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 285 N -0.19 0.82 0.00 4.61 0.00 -0.95 -0.35 121.76 125.70 1xkh s ALA 285 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1xkh s ALA 285 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1xkh s ALA 285 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1xkh n GLY 286 N 3.33 5.08 3.78 0.00 0.00 0.40 -1.61 105.19 116.16 1xkh n GLY 286 Ca -0.18 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 1xkh n GLY 286 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xkh s SER 287 N -0.23 4.73 -1.24 1.61 0.01 0.19 -3.03 113.70 115.74 1xkh s SER 287 Ca 0.00 1.82 -0.02 0.00 1.31 0.00 0.00 55.95 59.06 1xkh s SER 287 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1xkh s SER 287 CO 0.00 -1.88 1.03 0.79 0.41 0.00 0.00 173.24 173.58 1xkh n TRP 288 N -3.30 -2.32 -3.74 2.43 8.01 -1.26 -2.91 117.44 114.35 1xkh n TRP 288 Ca 0.09 0.95 -0.22 0.00 -1.31 0.00 0.00 57.50 57.01 1xkh n TRP 288 Cb 0.53 -5.05 0.03 0.00 -2.01 0.00 0.00 31.31 24.80 1xkh n TRP 288 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1xkh n ASP 289 N -3.10 -1.37 -4.49 -0.99 9.92 -1.26 -0.48 116.55 114.77 1xkh n ASP 289 Ca -0.23 -0.84 -0.43 0.00 -0.53 0.00 0.00 54.79 52.77 1xkh n ASP 289 Cb 0.65 -3.94 -0.08 0.00 -0.64 0.00 0.00 41.12 37.10 1xkh n ASP 289 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1xkh s ASN 290 N -4.28 6.22 -0.02 -2.24 3.84 -1.15 -3.18 114.94 114.14 1xkh s ASN 290 Ca 0.06 -0.60 0.04 0.00 0.21 0.00 0.00 52.86 52.58 1xkh s ASN 290 Cb -0.03 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.42 1xkh s ASN 290 CO 0.82 -0.63 -0.15 -0.31 -2.79 0.00 0.00 177.10 174.05 1xkh s TYR 291 N 2.29 1.42 0.19 0.43 2.02 -0.24 0.15 117.35 123.60 1xkh s TYR 291 Ca 0.14 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1xkh s TYR 291 Cb -0.16 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1xkh s TYR 291 CO 0.15 -0.07 0.29 0.50 -1.57 0.00 0.00 175.55 174.84 1xkh s ARG 292 N -0.17 1.23 -0.30 -0.62 3.52 0.53 -0.35 118.95 122.79 1xkh s ARG 292 Ca 0.02 -1.27 -0.16 0.00 -0.13 0.00 0.00 55.73 54.19 1xkh s ARG 292 Cb -0.08 0.37 0.19 0.00 -1.56 0.00 0.00 34.95 33.87 1xkh s ARG 292 CO 0.00 -0.46 1.17 -1.54 -0.81 0.00 0.00 175.30 173.67 1xkh s SER 293 N -3.01 -0.20 0.45 -2.12 1.04 0.12 -2.97 113.70 107.00 1xkh s SER 293 Ca 0.22 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.98 1xkh s SER 293 Cb 0.03 1.07 -0.00 0.00 0.10 0.00 0.00 66.02 67.22 1xkh s SER 293 CO 0.04 -0.05 0.02 -1.84 0.98 0.00 0.00 173.24 172.39 1xkh n GLU 294 N 3.26 0.83 -3.36 4.02 0.28 -0.25 0.13 120.64 125.55 1xkh n GLU 294 Ca -0.18 -3.33 0.01 0.00 -0.16 0.00 0.00 57.16 53.50 1xkh n GLU 294 Cb 0.57 1.04 -0.03 0.00 1.43 0.00 0.00 31.44 34.45 1xkh n GLU 294 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1xkh s LEU 295 N 0.00 -1.23 -0.15 -1.84 2.96 -0.20 -2.49 118.68 115.73 1xkh s LEU 295 Ca 0.03 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1xkh s LEU 295 Cb 0.00 2.13 -0.02 0.00 0.50 0.00 0.00 46.19 48.80 1xkh s LEU 295 CO 0.02 -0.25 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.10 1xkh s ASP 296 N 2.85 4.34 -0.04 3.68 2.15 0.62 -2.33 116.67 127.93 1xkh s ASP 296 Ca 0.10 -0.26 -0.02 0.00 0.43 0.00 0.00 52.55 52.80 1xkh s ASP 296 Cb -0.14 -1.69 0.03 0.00 -0.30 0.00 0.00 42.92 40.82 1xkh s ASP 296 CO -0.20 0.14 0.07 -0.69 -0.17 0.00 0.00 175.17 174.32 1xkh s VAL 297 N 0.51 -0.12 0.09 1.11 1.01 -0.56 0.96 120.40 123.40 1xkh s VAL 297 Ca -0.06 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1xkh s VAL 297 Cb -0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1xkh s VAL 297 CO 0.03 0.16 0.10 -0.55 0.00 0.00 0.00 175.10 174.85 1xkh s SER 298 N 2.03 0.27 0.00 3.32 0.15 0.20 -0.69 113.70 118.99 1xkh s SER 298 Ca 0.03 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1xkh s SER 298 Cb -0.12 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1xkh s SER 298 CO -0.03 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1xkh n GLY 299 N -0.02 -0.68 3.92 9.45 0.00 -0.67 -2.02 105.19 115.18 1xkh n GLY 299 Ca -0.13 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 1xkh n GLY 299 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xkh s PRO 300 N -2.00 3.58 0.00 1.61 0.02 -1.25 -1.06 135.00 135.90 1xkh s PRO 300 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 60.97 1xkh s PRO 300 Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1xkh s PRO 300 CO 0.00 0.11 0.66 1.28 -0.33 0.00 0.00 177.00 178.72 1xkh n LEU 301 N -1.45 1.24 -3.67 -5.54 4.77 -0.79 -4.86 117.00 106.70 1xkh n LEU 301 Ca -0.02 -1.24 -0.10 0.00 -0.03 0.00 0.00 56.01 54.62 1xkh n LEU 301 Cb 0.55 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1xkh n LEU 301 CO 0.49 0.31 0.20 0.42 -1.33 0.00 0.00 177.39 177.48 1xkh s THR 302 N -0.41 -0.01 0.01 -5.08 -4.23 -1.26 -5.04 115.64 99.62 1xkh s THR 302 Ca 0.00 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1xkh s THR 302 Cb 0.00 -0.78 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 1xkh s THR 302 CO 0.00 0.02 0.21 -0.62 -0.54 0.00 0.00 174.62 173.68 1xkh n GLU 303 N 3.95 -0.03 -0.14 3.99 -0.58 -1.26 0.36 120.64 126.92 1xkh n GLU 303 Ca -0.20 0.20 -0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1xkh n GLU 303 Cb 0.57 -0.30 0.03 0.00 -0.57 0.00 0.00 31.44 31.17 1xkh n GLU 303 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xkh h SER 304 N 0.00 -0.35 0.00 1.62 4.64 -1.98 -3.46 113.55 114.02 1xkh h SER 304 Ca 0.01 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1xkh h SER 304 Cb 0.03 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1xkh h SER 304 CO -0.07 -0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.37 1xkh n GLY 305 N -1.32 0.79 0.41 -0.77 0.00 0.16 -4.94 105.19 99.52 1xkh n GLY 305 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 1xkh n GLY 305 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xkh h ASN 306 N 0.00 0.00 -3.30 1.61 2.35 -1.90 -3.34 115.58 110.99 1xkh h ASN 306 Ca 0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.31 1xkh h ASN 306 Cb 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.00 1xkh h ASN 306 CO 0.00 0.00 -0.77 0.54 -1.65 0.00 0.00 177.43 175.55 1xkh s VAL 307 N -4.35 0.53 0.03 2.81 0.11 -1.26 0.13 120.40 118.40 1xkh s VAL 307 Ca -0.03 -0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.09 1xkh s VAL 307 Cb 0.11 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1xkh s VAL 307 CO 0.37 0.27 -0.25 -0.13 -3.33 0.00 0.00 175.10 172.03 1xkh s ARG 308 N 1.61 1.79 0.01 1.54 0.52 -0.98 -1.88 118.95 121.55 1xkh s ARG 308 Ca 0.00 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1xkh s ARG 308 Cb -0.13 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1xkh s ARG 308 CO -0.04 0.50 0.07 0.20 0.02 0.00 0.00 175.30 176.05 1xkh s GLY 309 N -1.11 0.11 -0.00 -3.53 0.00 -0.23 0.42 107.32 102.98 1xkh s GLY 309 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1xkh s GLY 309 CO 0.01 -0.38 0.00 -1.60 0.00 0.00 0.00 173.10 171.13 1xkh s ARG 310 N -1.31 0.02 -0.01 2.90 3.52 0.16 -1.66 118.95 122.58 1xkh s ARG 310 Ca -0.14 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1xkh s ARG 310 Cb -0.08 -0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1xkh s ARG 310 CO 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 175.30 174.49 1xkh s ALA 311 N 0.15 0.05 -0.04 6.12 0.00 0.14 -0.15 121.76 128.03 1xkh s ALA 311 Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 1xkh s ALA 311 Cb -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1xkh s ALA 311 CO -0.00 -0.06 0.21 0.54 0.00 0.00 0.00 175.76 176.44 1xkh s VAL 312 N 0.62 0.04 -0.08 0.00 0.11 -0.61 -1.50 120.40 118.97 1xkh s VAL 312 Ca -0.05 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.47 1xkh s VAL 312 Cb -0.08 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1xkh s VAL 312 CO -0.02 -0.18 0.48 0.00 -3.33 0.00 0.00 175.10 172.05 1xkh s ALA 313 N -0.65 -1.21 0.04 1.54 0.00 -0.98 -1.49 121.76 119.01 1xkh s ALA 313 Ca -0.07 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1xkh s ALA 313 Cb -0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1xkh s ALA 313 CO 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 175.76 175.46 1xkh s ALA 314 N -0.77 0.41 -0.02 0.00 0.00 -0.15 -1.03 121.76 120.20 1xkh s ALA 314 Ca -0.08 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1xkh s ALA 314 Cb -0.03 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1xkh s ALA 314 CO 0.05 -0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.15 1xkh s TYR 315 N -3.04 0.86 -0.15 0.00 2.02 0.12 -1.59 117.35 115.58 1xkh s TYR 315 Ca -0.01 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1xkh s TYR 315 Cb 0.02 -0.61 0.07 0.00 -0.40 0.00 0.00 41.96 41.03 1xkh s TYR 315 CO -0.07 -0.08 0.31 -1.14 -1.57 0.00 0.00 175.55 173.01 1xkh s GLN 316 N 0.14 0.22 -0.13 -0.62 0.74 -0.86 0.15 119.66 119.29 1xkh s GLN 316 Ca -0.02 0.79 -0.01 0.00 0.05 0.00 0.00 55.36 56.18 1xkh s GLN 316 Cb -0.07 0.05 0.03 0.00 1.10 0.00 0.00 33.01 34.11 1xkh s GLN 316 CO 0.00 -0.25 -0.05 0.34 -0.55 0.00 0.00 175.29 174.78 1xkh s ASP 317 N 2.22 2.40 0.06 6.67 2.15 0.53 -1.26 116.67 129.42 1xkh s ASP 317 Ca -0.02 -0.44 -0.00 0.00 0.43 0.00 0.00 52.55 52.52 1xkh s ASP 317 Cb -0.11 -0.82 -0.04 0.00 -0.30 0.00 0.00 42.92 41.65 1xkh s ASP 317 CO -0.10 -0.16 -0.04 -1.59 -0.17 0.00 0.00 175.17 173.11 1xkh s LYS 318 N 1.71 0.61 0.00 4.34 -2.85 -0.96 -1.08 119.74 121.50 1xkh s LYS 318 Ca 0.03 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1xkh s LYS 318 Cb -0.14 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 1xkh s LYS 318 CO -0.08 -0.07 0.00 0.72 0.10 0.00 0.00 175.35 176.02 1xkh n HIS 319 N 0.40 0.00 -3.56 1.78 8.25 0.36 -2.23 115.22 120.23 1xkh n HIS 319 Ca -0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.22 1xkh n HIS 319 Cb 0.60 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 1xkh n HIS 319 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xkh s SER 320 N -0.82 -0.37 0.00 0.41 0.15 -1.10 -4.76 113.70 107.21 1xkh s SER 320 Ca 0.00 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.53 1xkh s SER 320 Cb 0.00 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1xkh s SER 320 CO 0.00 -0.81 0.37 2.22 1.20 0.00 0.00 173.24 176.22 1xkh n PHE 321 N -0.34 0.00 -3.83 3.44 -1.74 -1.26 -4.83 117.46 108.90 1xkh n PHE 321 Ca -0.10 -0.01 -0.21 0.00 -0.56 0.00 0.00 57.45 56.57 1xkh n PHE 321 Cb 0.62 -0.36 -0.03 0.00 1.52 0.00 0.00 39.48 41.23 1xkh n PHE 321 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1xkh s ASP 323 N 2.69 5.52 0.00 5.98 1.01 -1.17 -4.78 116.67 125.92 1xkh s ASP 323 Ca 0.00 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1xkh s ASP 323 Cb 0.00 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.77 1xkh s ASP 323 CO 0.00 -0.28 0.00 0.00 0.21 0.00 0.00 175.17 175.10 1xkh n HIS 324 N -1.38 0.00 -3.40 4.23 1.44 -1.26 -4.85 115.22 110.00 1xkh n HIS 324 Ca -0.03 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.30 1xkh n HIS 324 Cb 0.59 -0.32 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 1xkh n HIS 324 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1xkh s TYR 325 N 0.00 3.45 -0.45 -1.40 6.14 -1.26 -4.02 117.35 119.82 1xkh s TYR 325 Ca 0.00 0.72 0.06 0.00 0.64 0.00 0.00 57.07 58.48 1xkh s TYR 325 Cb 0.00 -2.48 0.18 0.00 0.42 0.00 0.00 41.96 40.07 1xkh s TYR 325 CO 0.00 0.13 0.56 -1.21 0.64 0.00 0.00 175.55 175.67 1xkh s GLU 326 N 0.81 0.90 0.25 4.97 2.02 -0.95 -2.69 118.70 124.01 1xkh s GLU 326 Ca 0.21 -1.07 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 1xkh s GLU 326 Cb -0.14 -0.43 -0.07 0.00 0.10 0.00 0.00 34.13 33.59 1xkh s GLU 326 CO 0.08 -1.29 0.57 0.50 0.02 0.00 0.00 175.26 175.14 1xkh s ARG 327 N 1.02 3.80 -0.03 1.61 3.52 -0.95 -3.89 118.95 124.03 1xkh s ARG 327 Ca 0.25 0.29 -0.00 0.00 -0.13 0.00 0.00 55.73 56.14 1xkh s ARG 327 Cb -0.03 -2.62 0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1xkh s ARG 327 CO -0.08 0.28 0.02 -1.59 -0.81 0.00 0.00 175.30 173.13 1xkh s LYS 328 N -2.94 0.14 0.31 5.12 -2.85 -1.23 -2.27 119.74 116.02 1xkh s LYS 328 Ca 0.48 0.18 0.09 0.00 -1.00 0.00 0.00 55.97 55.72 1xkh s LYS 328 Cb -0.11 -0.46 -0.06 0.00 -2.06 0.00 0.00 37.83 35.14 1xkh s LYS 328 CO 0.22 -0.20 -0.11 0.95 0.10 0.00 0.00 175.35 176.30 1xkh s THR 329 N 1.37 2.14 -0.19 3.79 -4.23 -0.39 -1.84 115.64 116.29 1xkh s THR 329 Ca -0.05 -2.23 -0.17 0.00 -1.18 0.00 0.00 61.69 58.05 1xkh s THR 329 Cb -0.13 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1xkh s THR 329 CO -0.03 -0.29 0.50 -0.44 -0.54 0.00 0.00 174.62 173.82 1xkh s SER 330 N -3.54 -0.52 -0.01 3.99 0.01 -0.85 -2.02 113.70 110.76 1xkh s SER 330 Ca 0.31 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.58 1xkh s SER 330 Cb 0.01 1.02 0.01 0.00 0.21 0.00 0.00 66.02 67.26 1xkh s SER 330 CO 0.15 -0.17 -0.01 0.54 0.41 0.00 0.00 173.24 174.15 1xkh s VAL 331 N 0.26 0.18 0.13 3.43 0.11 -0.62 -0.84 120.40 123.05 1xkh s VAL 331 Ca -0.00 -0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.09 1xkh s VAL 331 Cb -0.03 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1xkh s VAL 331 CO 0.01 0.09 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.38 1xkh s TYR 332 N 0.35 1.65 -0.28 1.54 2.02 -0.81 -0.97 117.35 120.84 1xkh s TYR 332 Ca -0.03 -0.48 -0.22 0.00 -0.37 0.00 0.00 57.07 55.97 1xkh s TYR 332 Cb -0.06 -0.86 0.12 0.00 -0.40 0.00 0.00 41.96 40.76 1xkh s TYR 332 CO -0.01 0.23 0.96 -0.47 -1.57 0.00 0.00 175.55 174.69 1xkh s TYR 333 N -1.81 -0.58 -0.04 2.71 5.04 -0.56 -1.20 117.35 120.92 1xkh s TYR 333 Ca 0.10 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1xkh s TYR 333 Cb -0.07 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.64 1xkh s TYR 333 CO 0.05 -0.28 -0.00 0.20 -1.34 0.00 0.00 175.55 174.17 1xkh s GLY 334 N 0.65 0.31 0.01 8.97 0.00 -0.76 -1.58 107.32 114.92 1xkh s GLY 334 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.82 1xkh s GLY 334 CO -0.09 0.72 -0.09 -1.50 0.00 0.00 0.00 173.10 172.13 1xkh s ILE 335 N 1.24 0.74 0.06 0.90 2.07 0.79 -1.37 121.20 125.62 1xkh s ILE 335 Ca -0.07 -0.61 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 1xkh s ILE 335 Cb -0.13 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 1xkh s ILE 335 CO -0.02 0.05 0.02 -0.76 -1.91 0.00 0.00 174.94 172.32 1xkh s LEU 336 N -0.63 2.25 0.02 8.50 1.02 0.49 0.39 118.68 130.73 1xkh s LEU 336 Ca 0.01 -0.90 0.06 0.00 0.02 0.00 0.00 54.13 53.31 1xkh s LEU 336 Cb -0.05 0.37 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 1xkh s LEU 336 CO 0.00 -0.61 -0.17 -1.61 0.02 0.00 0.00 176.35 173.98 1xkh s GLU 337 N -3.79 1.21 -0.36 1.70 2.02 0.17 -1.09 118.70 118.56 1xkh s GLU 337 Ca 0.06 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.33 1xkh s GLU 337 Cb 0.07 -1.23 0.11 0.00 0.10 0.00 0.00 34.13 33.17 1xkh s GLU 337 CO -0.10 0.32 0.11 -0.06 0.02 0.00 0.00 175.26 175.56 1xkh s PHE 338 N -0.65 2.82 0.79 1.61 0.08 -1.24 -2.33 117.98 119.06 1xkh s PHE 338 Ca 0.05 -2.54 -0.11 0.00 0.12 0.00 0.00 56.93 54.45 1xkh s PHE 338 Cb -0.07 -2.40 0.07 0.00 -0.57 0.00 0.00 43.02 40.05 1xkh s PHE 338 CO 0.01 -0.88 1.09 -0.51 -0.10 0.00 0.00 175.22 174.82 1xkh s ASP 339 N 0.94 4.40 0.00 1.36 1.01 0.34 -2.55 116.67 122.17 1xkh s ASP 339 Ca 0.12 1.62 0.00 0.00 0.71 0.00 0.00 52.55 55.00 1xkh s ASP 339 Cb -0.20 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1xkh s ASP 339 CO -0.12 -2.07 0.00 0.18 0.21 0.00 0.00 175.17 173.37 1xkh n LEU 340 N -3.53 0.00 0.00 1.23 4.77 -1.23 -4.92 117.00 113.32 1xkh n LEU 340 Ca 0.08 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1xkh n LEU 340 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1xkh n LEU 340 CO 0.55 0.26 0.00 0.59 -1.33 0.00 0.00 177.39 177.46 1xkh n ASN 341 N 0.00 0.00 0.30 -1.43 4.13 -1.26 -3.83 115.26 113.18 1xkh n ASN 341 Ca 0.00 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.30 1xkh n ASN 341 Cb 0.17 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.64 1xkh n ASN 341 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1xkh h PRO 342 N 0.00 0.00 -2.06 3.52 0.11 -1.97 1.87 132.00 133.47 1xkh h PRO 342 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1xkh h PRO 342 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 1xkh h PRO 342 CO 0.00 0.00 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.30 1xkh n ASP 343 N -2.49 4.87 -3.76 -2.05 8.00 -1.25 -1.32 116.55 118.55 1xkh n ASP 343 Ca -0.01 -2.38 -0.21 0.00 0.71 0.00 0.00 54.79 52.91 1xkh n ASP 343 Cb 0.78 -1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 1xkh n ASP 343 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xkh n THR 344 N 2.27 0.00 -3.11 -3.53 -2.24 0.63 -3.56 114.28 104.75 1xkh n THR 344 Ca 0.29 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1xkh n THR 344 Cb 0.75 -0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1xkh n THR 344 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xkh n LEU 346 N 6.02 -1.41 -4.76 3.22 7.94 -1.06 -2.73 117.00 124.22 1xkh n LEU 346 Ca 0.22 -3.94 -0.39 0.00 -1.11 0.00 0.00 56.01 50.79 1xkh n LEU 346 Cb 0.32 0.66 -0.06 0.00 0.53 0.00 0.00 43.42 44.87 1xkh n LEU 346 CO 0.68 1.94 0.65 0.28 -1.11 0.00 0.00 177.39 179.84 1xkh s THR 347 N 0.08 4.11 0.17 1.96 -1.32 0.54 -3.64 115.64 117.53 1xkh s THR 347 Ca 0.33 2.00 -0.15 0.00 -1.21 0.00 0.00 61.69 62.66 1xkh s THR 347 Cb 0.08 -4.23 0.02 0.00 -1.51 0.00 0.00 72.50 66.87 1xkh s THR 347 CO -0.15 0.39 0.45 0.68 -2.21 0.00 0.00 174.62 173.77 1xkh s VAL 348 N -1.32 0.04 0.00 5.08 -7.23 -0.25 -0.43 120.40 116.30 1xkh s VAL 348 Ca 0.44 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1xkh s VAL 348 Cb -0.24 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1xkh s VAL 348 CO 0.29 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 1xkh n GLY 349 N -0.29 0.28 3.22 2.32 0.00 -1.00 -0.38 105.19 109.34 1xkh n GLY 349 Ca -0.11 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1xkh n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 350 N -2.00 -0.80 0.41 4.61 0.00 -0.47 -1.61 121.76 121.90 1xkh s ALA 350 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1xkh s ALA 350 Cb 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 1xkh s ALA 350 CO 0.00 -0.19 0.05 0.16 0.00 0.00 0.00 175.76 175.78 1xkh s ASP 351 N -0.34 4.01 -0.30 0.00 1.47 -0.12 -1.83 116.67 119.57 1xkh s ASP 351 Ca -0.05 -1.28 -0.11 0.00 1.18 0.00 0.00 52.55 52.29 1xkh s ASP 351 Cb -0.03 -0.42 0.17 0.00 -0.34 0.00 0.00 42.92 42.30 1xkh s ASP 351 CO 0.02 -0.45 0.90 -0.47 0.68 0.00 0.00 175.17 175.84 1xkh s TYR 352 N -2.67 -0.88 -0.01 2.11 5.04 -0.34 -0.59 117.35 120.01 1xkh s TYR 352 Ca 0.36 1.17 0.04 0.00 -2.44 0.00 0.00 57.07 56.20 1xkh s TYR 352 Cb 0.08 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.75 1xkh s TYR 352 CO 0.19 -0.46 -0.13 -1.14 -1.34 0.00 0.00 175.55 172.67 1xkh s GLN 353 N 2.75 2.41 -0.15 4.97 0.74 0.92 -1.92 119.66 129.39 1xkh s GLN 353 Ca 0.03 -0.77 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 1xkh s GLN 353 Cb -0.10 -2.37 0.05 0.00 1.10 0.00 0.00 33.01 31.69 1xkh s GLN 353 CO -0.16 0.60 0.01 0.34 -0.55 0.00 0.00 175.29 175.52 1xkh s ASP 354 N -1.10 2.48 -0.39 6.67 2.15 -0.02 -1.16 116.67 125.31 1xkh s ASP 354 Ca 0.14 -0.56 -0.10 0.00 0.43 0.00 0.00 52.55 52.46 1xkh s ASP 354 Cb -0.11 -0.61 0.05 0.00 -0.30 0.00 0.00 42.92 41.95 1xkh s ASP 354 CO 0.04 -0.25 0.22 0.20 -0.17 0.00 0.00 175.17 175.21 1xkh s ASN 355 N 1.85 5.66 -0.86 -0.34 0.01 -0.26 -2.00 114.94 119.00 1xkh s ASN 355 Ca 0.01 -1.20 -0.01 0.00 -0.71 0.00 0.00 52.86 50.96 1xkh s ASN 355 Cb -0.15 -2.00 0.21 0.00 0.41 0.00 0.00 41.25 39.73 1xkh s ASN 355 CO -0.07 -0.44 0.74 -0.62 -1.51 0.00 0.00 177.10 175.20 1xkh s ASP 356 N 1.75 5.84 0.59 -1.22 2.15 -0.77 -2.05 116.67 122.96 1xkh s ASP 356 Ca 0.02 -3.72 -0.15 0.00 0.43 0.00 0.00 52.55 49.13 1xkh s ASP 356 Cb -0.21 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1xkh s ASP 356 CO 0.05 -0.17 1.03 -2.16 -0.17 0.00 0.00 175.17 173.74 1xkh s PRO 357 N -1.34 3.49 -0.11 4.34 0.04 -1.26 -3.52 135.00 136.64 1xkh s PRO 357 Ca 0.27 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 1xkh s PRO 357 Cb -0.07 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1xkh s PRO 357 CO -0.13 -0.66 0.29 0.15 0.04 0.00 0.00 177.00 176.69 1xkh s LYS 358 N -4.36 0.29 0.00 4.56 -0.14 -1.25 -4.15 119.74 114.70 1xkh s LYS 358 Ca 0.60 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.70 1xkh s LYS 358 Cb -0.13 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 1xkh s LYS 358 CO 0.40 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.30 1xkh n GLY 359 N 3.58 0.69 3.68 -3.33 0.00 0.27 -2.23 105.19 107.85 1xkh n GLY 359 Ca -0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1xkh n GLY 359 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xkh s SER 360 N -2.48 6.77 0.91 1.61 0.15 0.22 -4.31 113.70 116.57 1xkh s SER 360 Ca 0.00 2.19 -0.13 0.00 0.70 0.00 0.00 55.95 58.72 1xkh s SER 360 Cb 0.00 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 61.93 1xkh s SER 360 CO 0.00 -0.79 1.25 -0.83 1.20 0.00 0.00 173.24 174.07 1xkh s GLY 361 N 2.21 1.76 -0.08 9.45 0.00 -1.26 -4.06 107.32 115.34 1xkh s GLY 361 Ca 0.67 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1xkh s GLY 361 CO 0.28 -0.55 0.22 0.86 0.00 0.00 0.00 173.10 173.91 1xkh s TRP 362 N -3.73 -0.23 -0.03 1.90 -0.00 -1.26 -4.25 118.94 111.34 1xkh s TRP 362 Ca 0.72 0.57 -0.00 0.00 -0.00 0.00 0.00 56.10 57.38 1xkh s TRP 362 Cb -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.51 1xkh s TRP 362 CO 0.51 -0.12 0.01 -1.13 -0.00 0.00 0.00 176.95 176.22 1xkh n SER 363 N 2.92 -6.75 -0.02 5.86 3.41 -1.25 -4.70 113.62 113.08 1xkh n SER 363 Ca -0.13 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1xkh n SER 363 Cb 0.58 -2.01 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1xkh n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xkh n GLY 364 N 1.56 -1.73 0.00 5.00 0.00 0.60 -4.68 105.19 105.94 1xkh n GLY 364 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1xkh n GLY 364 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xkh n SER 365 N 0.37 3.89 -3.59 1.61 7.64 0.52 -4.55 113.62 119.51 1xkh n SER 365 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1xkh n SER 365 Cb 0.00 0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1xkh n SER 365 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1xkh s PHE 366 N -1.60 -0.43 0.05 1.43 -0.71 -1.11 -0.69 117.98 114.91 1xkh s PHE 366 Ca 0.00 0.83 -0.31 0.00 -1.04 0.00 0.00 56.93 56.42 1xkh s PHE 366 Cb 0.00 0.42 -0.06 0.00 -1.21 0.00 0.00 43.02 42.17 1xkh s PHE 366 CO 0.00 -0.35 1.40 -1.25 -1.34 0.00 0.00 175.22 173.68 1xkh s PRO 367 N -0.78 4.30 0.51 1.99 0.04 -1.26 -2.92 135.00 136.88 1xkh s PRO 367 Ca -0.02 2.01 0.22 0.00 0.04 0.00 0.00 61.00 63.26 1xkh s PRO 367 Cb -0.02 -3.45 1.32 0.00 0.04 0.00 0.00 34.50 32.39 1xkh s PRO 367 CO 0.01 -0.51 2.01 -0.07 0.04 0.00 0.00 177.00 178.47 1xkh h LEU 368 N 7.72 0.07 -8.37 -3.56 3.38 -1.83 -3.43 115.31 109.29 1xkh h LEU 368 Ca -0.40 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.99 1xkh h LEU 368 Cb 1.19 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.63 1xkh h LEU 368 CO 0.88 0.04 -0.85 -0.36 0.09 0.00 0.00 178.44 178.25 1xkh s PHE 369 N -5.09 1.79 0.42 1.13 0.08 -1.26 -1.93 117.98 113.12 1xkh s PHE 369 Ca -0.06 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 1xkh s PHE 369 Cb 0.19 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.43 1xkh s PHE 369 CO 0.73 -0.07 0.73 0.16 -0.10 0.00 0.00 175.22 176.67 1xkh s ASP 370 N -0.34 6.38 0.00 1.36 1.47 -1.23 -3.11 116.67 121.20 1xkh s ASP 370 Ca 0.05 0.94 0.00 0.00 1.18 0.00 0.00 52.55 54.72 1xkh s ASP 370 Cb -0.09 -2.25 0.00 0.00 -0.34 0.00 0.00 42.92 40.25 1xkh s ASP 370 CO 0.00 -0.44 0.00 -0.24 0.68 0.00 0.00 175.17 175.17 1xkh n SER 371 N -1.70 0.00 0.00 2.11 2.88 -1.23 -1.48 113.62 114.20 1xkh n SER 371 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1xkh n SER 371 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1xkh n SER 371 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xkh n GLN 372 N 0.00 3.89 -0.91 -1.46 0.00 -1.26 -4.79 117.38 112.84 1xkh n GLN 372 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.00 56.63 1xkh n GLN 372 Cb 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 30.24 29.89 1xkh n GLN 372 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xkh n GLY 373 N 0.08 -2.89 0.00 2.61 0.00 -0.55 -4.86 105.19 99.58 1xkh n GLY 373 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xkh n GLY 373 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xkh n ASN 374 N 2.08 0.00 -4.87 1.61 4.13 -1.26 -4.05 115.26 112.90 1xkh n ASN 374 Ca -0.01 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.94 1xkh n ASN 374 Cb 0.72 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.99 1xkh n ASN 374 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1xkh s ARG 375 N 0.00 3.13 -0.11 3.52 1.81 -1.26 -3.56 118.95 122.48 1xkh s ARG 375 Ca 0.00 0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 54.60 1xkh s ARG 375 Cb 0.00 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.44 1xkh s ARG 375 CO 0.00 -0.87 -0.09 -0.80 -0.68 0.00 0.00 175.30 172.86 1xkh s ASN 376 N -4.26 4.41 -0.08 0.23 0.01 -0.81 -4.70 114.94 109.75 1xkh s ASN 376 Ca 0.57 -0.17 -0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1xkh s ASN 376 Cb -0.11 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.06 1xkh s ASN 376 CO 0.53 0.24 -0.04 -0.62 -1.51 0.00 0.00 177.10 175.69 1xkh s ASP 377 N -0.08 4.86 -0.20 -1.22 -1.08 -1.26 -4.98 116.67 112.71 1xkh s ASP 377 Ca -0.00 0.03 -0.27 0.00 -0.52 0.00 0.00 52.55 51.78 1xkh s ASP 377 Cb -0.13 -1.31 0.09 0.00 -1.46 0.00 0.00 42.92 40.10 1xkh s ASP 377 CO 0.03 0.35 0.81 0.54 0.52 0.00 0.00 175.17 177.43 1xkh s VAL 378 N -0.75 0.00 0.39 1.11 0.11 -1.26 -5.12 120.40 114.87 1xkh s VAL 378 Ca 0.11 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 1xkh s VAL 378 Cb -0.11 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.62 1xkh s VAL 378 CO 0.02 0.00 -0.08 -1.54 -3.33 0.00 0.00 175.10 170.16 1xkh n SER 379 N 1.88 -2.81 0.28 3.54 3.41 -1.26 -4.74 113.62 113.92 1xkh n SER 379 Ca -0.14 0.52 0.19 0.00 -0.26 0.00 0.00 58.87 59.17 1xkh n SER 379 Cb 0.56 -0.67 0.99 0.00 -0.26 0.00 0.00 64.21 64.84 1xkh n SER 379 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xkh h ARG 380 N 0.02 0.00 -0.57 4.33 3.08 -2.01 -2.77 114.38 116.46 1xkh h ARG 380 Ca -0.32 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.36 1xkh h ARG 380 Cb 1.13 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.95 1xkh h ARG 380 CO 0.33 0.00 -0.17 -1.13 -1.07 0.00 0.00 179.97 177.93 1xkh n SER 381 N -2.80 4.04 -4.88 7.04 3.41 -1.26 -4.68 113.62 114.49 1xkh n SER 381 Ca -0.02 -3.79 -0.30 0.00 -0.26 0.00 0.00 58.87 54.50 1xkh n SER 381 Cb 0.08 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.45 1xkh n SER 381 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xkh s PHE 382 N -3.46 3.51 -0.30 7.33 5.36 -1.05 -3.02 117.98 126.36 1xkh s PHE 382 Ca 0.50 1.08 0.03 0.00 -0.96 0.00 0.00 56.93 57.58 1xkh s PHE 382 Cb 0.42 -2.73 0.17 0.00 -0.34 0.00 0.00 43.02 40.54 1xkh s PHE 382 CO 0.01 -0.74 0.44 1.21 -1.46 0.00 0.00 175.22 174.67 1xkh s ASN 383 N -4.22 0.09 0.33 6.13 2.47 -1.26 -4.73 114.94 113.74 1xkh s ASN 383 Ca 0.54 -0.40 0.08 0.00 0.42 0.00 0.00 52.86 53.50 1xkh s ASN 383 Cb -0.11 1.23 0.41 0.00 -1.45 0.00 0.00 41.25 41.33 1xkh s ASN 383 CO 0.51 -0.33 1.06 -0.46 -3.72 0.00 0.00 177.10 174.16 1xkh n ASN 384 N 5.26 0.20 -4.63 -4.21 0.23 0.13 -4.51 115.26 107.72 1xkh n ASN 384 Ca 0.02 0.42 -0.30 0.00 -0.53 0.00 0.00 54.58 54.20 1xkh n ASN 384 Cb 0.50 -0.29 0.18 0.00 -2.08 0.00 0.00 39.78 38.09 1xkh n ASN 384 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xkh s GLY 385 N -2.86 1.64 -0.20 4.83 0.00 -1.26 -0.30 107.32 109.17 1xkh s GLY 385 Ca -0.01 0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.88 1xkh s GLY 385 CO 0.07 0.77 0.11 0.00 0.00 0.00 0.00 173.10 174.05 1xkh s ALA 386 N -2.65 3.59 0.24 3.20 0.00 0.23 -3.94 121.76 122.42 1xkh s ALA 386 Ca 0.66 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.92 1xkh s ALA 386 Cb -0.22 -2.11 0.61 0.00 0.00 0.00 0.00 23.12 21.40 1xkh s ALA 386 CO 0.60 0.13 1.18 1.63 0.00 0.00 0.00 175.76 179.29 1xkh n LYS 387 N 3.61 -0.06 0.03 0.00 5.02 1.11 0.31 118.16 128.18 1xkh n LYS 387 Ca -0.16 1.12 0.12 0.00 -2.02 0.00 0.00 58.31 57.37 1xkh n LYS 387 Cb 0.52 -1.79 0.22 0.00 -0.02 0.00 0.00 35.03 33.96 1xkh n LYS 387 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1xkh n TRP 388 N -5.02 0.31 -1.91 2.13 4.27 -1.26 -1.88 117.44 114.09 1xkh n TRP 388 Ca 0.19 0.09 -0.40 0.00 -3.89 0.00 0.00 57.50 53.49 1xkh n TRP 388 Cb 0.61 -0.49 0.01 0.00 -1.36 0.00 0.00 31.31 30.08 1xkh n TRP 388 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1xkh s SER 389 N -3.69 6.02 0.06 -0.67 0.15 0.93 -4.56 113.70 111.94 1xkh s SER 389 Ca 0.08 2.79 -0.26 0.00 0.70 0.00 0.00 55.95 59.26 1xkh s SER 389 Cb 0.15 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1xkh s SER 389 CO 0.70 -1.06 0.75 -0.94 1.20 0.00 0.00 173.24 173.89 1xkh s SER 390 N -0.64 -0.47 -0.50 5.45 1.04 -1.24 0.94 113.70 118.28 1xkh s SER 390 Ca 0.60 0.04 0.08 0.00 0.48 0.00 0.00 55.95 57.15 1xkh s SER 390 Cb -0.41 0.48 0.30 0.00 0.10 0.00 0.00 66.02 66.49 1xkh s SER 390 CO 0.52 -0.77 0.73 1.87 0.98 0.00 0.00 173.24 176.58 1xkh n TRP 391 N -0.22 1.88 -1.62 5.02 -0.00 -1.26 -3.09 117.44 118.15 1xkh n TRP 391 Ca -0.13 -3.88 -0.46 0.00 -0.00 0.00 0.00 57.50 53.03 1xkh n TRP 391 Cb 0.63 -0.46 -0.04 0.00 -0.00 0.00 0.00 31.31 31.44 1xkh n TRP 391 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1xkh n GLU 392 N 0.60 2.05 -5.11 5.87 2.13 -0.65 -4.70 120.64 120.83 1xkh n GLU 392 Ca 0.27 0.68 -0.31 0.00 0.66 0.00 0.00 57.16 58.46 1xkh n GLU 392 Cb 0.50 -2.85 -0.15 0.00 0.27 0.00 0.00 31.44 29.21 1xkh n GLU 392 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1xkh s GLN 393 N 5.16 2.17 0.02 5.31 -0.21 -0.87 0.18 119.66 131.43 1xkh s GLN 393 Ca 0.97 -0.89 -0.07 0.00 0.02 0.00 0.00 55.36 55.39 1xkh s GLN 393 Cb -0.58 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.30 1xkh s GLN 393 CO 0.45 0.57 0.13 1.52 -2.12 0.00 0.00 175.29 175.84 1xkh s TYR 394 N -0.69 0.11 -0.18 0.91 -0.85 -0.90 -1.10 117.35 114.65 1xkh s TYR 394 Ca 0.11 -0.32 -0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1xkh s TYR 394 Cb -0.10 -0.08 0.07 0.00 0.38 0.00 0.00 41.96 42.22 1xkh s TYR 394 CO 0.00 -0.35 0.44 0.95 -1.52 0.00 0.00 175.55 175.07 1xkh s THR 395 N -2.13 -0.11 0.06 -3.49 -4.23 -0.31 -1.95 115.64 103.48 1xkh s THR 395 Ca -0.09 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1xkh s THR 395 Cb -0.04 -0.65 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1xkh s THR 395 CO -0.02 0.04 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.83 1xkh s ARG 396 N 1.59 0.85 -0.01 3.99 0.52 -1.09 -0.06 118.95 124.76 1xkh s ARG 396 Ca -0.09 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.04 1xkh s ARG 396 Cb -0.09 -0.85 0.05 0.00 0.52 0.00 0.00 34.95 34.57 1xkh s ARG 396 CO -0.13 0.20 0.48 -0.08 0.02 0.00 0.00 175.30 175.79 1xkh s THR 397 N -1.10 0.03 -0.05 0.02 -1.32 0.25 -1.61 115.64 111.85 1xkh s THR 397 Ca -0.01 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1xkh s THR 397 Cb -0.09 -0.85 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1xkh s THR 397 CO 0.02 -0.15 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.46 1xkh s VAL 398 N -1.64 1.14 0.15 5.08 1.01 0.13 -0.94 120.40 125.33 1xkh s VAL 398 Ca -0.10 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1xkh s VAL 398 Cb -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1xkh s VAL 398 CO 0.04 0.35 -0.12 0.72 0.00 0.00 0.00 175.10 176.08 1xkh s PHE 399 N 0.36 1.41 -0.09 5.22 -0.12 -0.63 -0.42 117.98 123.70 1xkh s PHE 399 Ca -0.09 -0.65 -0.18 0.00 -0.05 0.00 0.00 56.93 55.97 1xkh s PHE 399 Cb -0.13 -0.70 0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1xkh s PHE 399 CO 0.02 0.17 0.43 0.00 -0.05 0.00 0.00 175.22 175.79 1xkh s ALA 400 N -2.84 -1.08 -0.30 1.99 0.00 -0.92 -2.37 121.76 116.23 1xkh s ALA 400 Ca 0.15 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.79 1xkh s ALA 400 Cb -0.01 -0.32 0.19 0.00 0.00 0.00 0.00 23.12 22.99 1xkh s ALA 400 CO 0.03 -0.25 1.42 0.54 0.00 0.00 0.00 175.76 177.49 1xkh s ASN 401 N -0.57 -0.05 -0.05 0.00 4.22 0.43 -0.41 114.94 118.51 1xkh s ASN 401 Ca -0.07 0.10 0.05 0.00 -2.14 0.00 0.00 52.86 50.79 1xkh s ASN 401 Cb -0.03 0.26 -0.00 0.00 1.28 0.00 0.00 41.25 42.75 1xkh s ASN 401 CO 0.03 -0.02 -0.19 -1.48 -2.04 0.00 0.00 177.10 173.41 1xkh s LEU 402 N 0.20 1.94 0.10 3.54 0.05 -0.74 -0.34 118.68 123.43 1xkh s LEU 402 Ca 0.05 -0.39 0.02 0.00 0.05 0.00 0.00 54.13 53.86 1xkh s LEU 402 Cb -0.05 -1.06 -0.04 0.00 -2.05 0.00 0.00 46.19 43.00 1xkh s LEU 402 CO -0.15 0.17 0.19 -1.83 -0.55 0.00 0.00 176.35 174.17 1xkh s GLU 403 N 0.04 3.23 -0.03 1.48 -1.05 -1.11 -2.09 118.70 119.16 1xkh s GLU 403 Ca -0.05 -0.60 0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1xkh s GLU 403 Cb -0.12 -2.89 -0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1xkh s GLU 403 CO 0.03 0.56 -0.14 -1.58 0.95 0.00 0.00 175.26 175.08 1xkh s HIS 404 N -1.58 1.38 -0.43 4.83 2.46 -0.21 -3.00 115.29 118.75 1xkh s HIS 404 Ca 0.33 -0.37 -0.14 0.00 0.47 0.00 0.00 55.06 55.34 1xkh s HIS 404 Cb -0.12 -0.95 0.04 0.00 -0.13 0.00 0.00 32.58 31.43 1xkh s HIS 404 CO 0.26 -0.13 0.32 -0.80 -2.47 0.00 0.00 174.74 171.92 1xkh s ASN 405 N 0.09 6.06 0.57 9.88 0.01 -0.43 -1.23 114.94 129.87 1xkh s ASN 405 Ca -0.03 -1.09 -0.11 0.00 -0.71 0.00 0.00 52.86 50.92 1xkh s ASN 405 Cb -0.10 -2.14 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1xkh s ASN 405 CO 0.01 -0.51 0.97 -0.36 -1.51 0.00 0.00 177.10 175.69 1xkh s PHE 406 N 1.64 3.58 0.05 2.20 0.08 0.39 -4.72 117.98 121.20 1xkh s PHE 406 Ca 0.04 1.22 0.14 0.00 0.12 0.00 0.00 56.93 58.45 1xkh s PHE 406 Cb -0.21 -2.64 0.21 0.00 -0.57 0.00 0.00 43.02 39.80 1xkh s PHE 406 CO 0.08 -0.53 1.51 0.00 -0.10 0.00 0.00 175.22 176.18 1xkh h ALA 407 N 0.08 0.72 0.00 5.36 0.00 -1.98 -3.19 119.26 120.25 1xkh h ALA 407 Ca -0.45 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1xkh h ALA 407 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xkh h ALA 407 CO 0.62 0.75 0.10 0.09 0.00 0.00 0.00 179.25 180.81 1xkh n ASN 408 N -3.41 0.36 0.00 0.00 4.13 -1.26 -4.65 115.26 110.44 1xkh n ASN 408 Ca 0.01 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.89 1xkh n ASN 408 Cb 0.71 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1xkh n ASN 408 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xkh n GLY 409 N -1.33 1.44 3.48 7.41 0.00 -1.21 -4.92 105.19 110.07 1xkh n GLY 409 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1xkh n GLY 409 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xkh s TRP 410 N -2.00 2.48 -0.01 1.61 -0.11 -1.22 -4.35 118.94 115.34 1xkh s TRP 410 Ca 0.00 -0.29 0.02 0.00 1.22 0.00 0.00 56.10 57.05 1xkh s TRP 410 Cb 0.00 -1.27 -0.00 0.00 -1.50 0.00 0.00 33.47 30.70 1xkh s TRP 410 CO 0.00 0.44 -0.05 0.54 -4.62 0.00 0.00 176.95 173.26 1xkh s VAL 411 N -1.42 0.40 -0.09 5.86 0.11 -1.22 0.15 120.40 124.18 1xkh s VAL 411 Ca 0.20 -0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1xkh s VAL 411 Cb -0.09 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1xkh s VAL 411 CO 0.11 0.12 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.07 1xkh s GLY 412 N -0.06 0.83 -0.08 6.54 0.00 -0.36 -1.92 107.32 112.26 1xkh s GLY 412 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 1xkh s GLY 412 CO -0.00 0.49 0.00 1.25 0.00 0.00 0.00 173.10 174.84 1xkh s LYS 413 N 1.24 2.99 -0.06 2.90 2.20 0.06 -1.05 119.74 128.02 1xkh s LYS 413 Ca -0.04 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1xkh s LYS 413 Cb -0.14 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.40 1xkh s LYS 413 CO -0.03 0.70 -0.08 0.54 -0.36 0.00 0.00 175.35 176.12 1xkh s VAL 414 N -0.89 0.81 -0.01 4.02 0.11 -0.89 -0.69 120.40 122.86 1xkh s VAL 414 Ca 0.13 -0.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 1xkh s VAL 414 Cb -0.11 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1xkh s VAL 414 CO 0.02 0.29 -0.05 0.00 -3.33 0.00 0.00 175.10 172.03 1xkh s GLN 415 N 0.83 0.46 0.18 1.54 -2.07 -0.47 -1.80 119.66 118.32 1xkh s GLN 415 Ca -0.12 -0.15 0.07 0.00 -1.82 0.00 0.00 55.36 53.34 1xkh s GLN 415 Cb -0.15 -0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 31.27 1xkh s GLN 415 CO 0.01 0.07 0.02 -0.51 -1.32 0.00 0.00 175.29 173.56 1xkh s LEU 416 N 0.10 3.38 -0.26 2.60 1.43 0.45 -1.75 118.68 124.62 1xkh s LEU 416 Ca -0.01 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1xkh s LEU 416 Cb -0.05 -2.02 0.09 0.00 0.03 0.00 0.00 46.19 44.24 1xkh s LEU 416 CO -0.00 0.08 0.62 -0.62 0.23 0.00 0.00 176.35 176.66 1xkh s ASP 417 N -2.99 -0.88 -0.20 2.29 -1.08 -0.80 -2.17 116.67 110.84 1xkh s ASP 417 Ca 0.28 1.40 0.01 0.00 -0.52 0.00 0.00 52.55 53.72 1xkh s ASP 417 Cb -0.09 1.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.90 1xkh s ASP 417 CO 0.19 -0.23 -0.16 -2.28 0.52 0.00 0.00 175.17 173.22 1xkh s HIS 418 N 1.97 2.76 0.08 -5.34 5.65 0.44 0.10 115.29 120.93 1xkh s HIS 418 Ca -0.08 -1.74 0.03 0.00 0.25 0.00 0.00 55.06 53.51 1xkh s HIS 418 Cb -0.08 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.45 1xkh s HIS 418 CO -0.18 -0.80 -0.09 0.21 -0.65 0.00 0.00 174.74 173.23 1xkh s LYS 419 N 1.29 0.74 -0.05 2.88 2.20 -0.44 0.18 119.74 126.54 1xkh s LYS 419 Ca 0.01 -1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1xkh s LYS 419 Cb -0.15 -0.40 0.03 0.00 -1.51 0.00 0.00 37.83 35.80 1xkh s LYS 419 CO -0.10 0.05 0.12 0.96 -0.36 0.00 0.00 175.35 176.02 1xkh s ILE 420 N -2.29 -0.03 -0.37 5.43 -4.36 -0.64 -1.10 121.20 117.84 1xkh s ILE 420 Ca 0.01 0.13 0.04 0.00 -0.26 0.00 0.00 60.65 60.57 1xkh s ILE 420 Cb -0.04 -0.19 0.11 0.00 1.25 0.00 0.00 42.46 43.59 1xkh s ILE 420 CO -0.01 0.05 0.09 0.20 0.24 0.00 0.00 174.94 175.51 1xkh s ASN 421 N 0.79 4.63 0.30 4.36 -0.87 -0.70 -2.65 114.94 120.79 1xkh s ASN 421 Ca -0.06 -2.28 0.06 0.00 -1.57 0.00 0.00 52.86 49.01 1xkh s ASN 421 Cb -0.08 -1.58 -0.02 0.00 -0.02 0.00 0.00 41.25 39.55 1xkh s ASN 421 CO -0.04 -0.35 0.40 -0.83 -2.57 0.00 0.00 177.10 173.71 1xkh s GLY 422 N 0.73 1.46 -0.10 0.66 0.00 -0.82 -2.26 107.32 106.99 1xkh s GLY 422 Ca 0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.40 1xkh s GLY 422 CO -0.07 -1.35 0.22 -2.52 0.00 0.00 0.00 173.10 169.37 1xkh s TYR 423 N -2.11 -0.30 -0.71 1.90 -0.85 0.68 -2.12 117.35 113.83 1xkh s TYR 423 Ca 0.40 0.75 -0.01 0.00 -0.52 0.00 0.00 57.07 57.69 1xkh s TYR 423 Cb -0.09 -0.05 0.18 0.00 0.38 0.00 0.00 41.96 42.38 1xkh s TYR 423 CO 0.30 -0.26 0.54 -1.58 -1.52 0.00 0.00 175.55 173.03 1xkh s HIS 424 N 1.73 3.56 -0.48 -3.49 2.46 0.48 -1.22 115.29 118.33 1xkh s HIS 424 Ca -0.04 -2.93 -0.02 0.00 0.47 0.00 0.00 55.06 52.54 1xkh s HIS 424 Cb -0.11 -3.12 0.13 0.00 -0.13 0.00 0.00 32.58 29.34 1xkh s HIS 424 CO -0.08 -0.76 0.26 0.00 -2.47 0.00 0.00 174.74 171.70 1xkh s ALA 425 N -0.68 3.27 -1.09 1.58 0.00 0.37 -1.63 121.76 123.59 1xkh s ALA 425 Ca 0.21 -2.82 -0.06 0.00 0.00 0.00 0.00 51.96 49.30 1xkh s ALA 425 Cb -0.15 -2.42 0.30 0.00 0.00 0.00 0.00 23.12 20.85 1xkh s ALA 425 CO -0.08 -1.90 1.35 -0.35 0.00 0.00 0.00 175.76 174.79 1xkh n PRO 426 N 4.09 4.15 -2.46 0.00 -0.04 -1.18 0.29 135.00 139.85 1xkh n PRO 426 Ca 0.02 -4.53 -0.35 0.00 -0.04 0.00 0.00 63.50 58.60 1xkh n PRO 426 Cb 0.40 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1xkh n PRO 426 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xkh s LEU 427 N -2.30 3.94 -0.20 1.53 1.43 0.25 -3.69 118.68 119.63 1xkh s LEU 427 Ca 0.31 2.05 -0.05 0.00 -1.03 0.00 0.00 54.13 55.41 1xkh s LEU 427 Cb 0.00 -4.41 0.10 0.00 0.03 0.00 0.00 46.19 41.91 1xkh s LEU 427 CO 0.04 -0.79 0.35 -0.83 0.23 0.00 0.00 176.35 175.35 1xkh s GLY 428 N -1.74 -0.28 0.07 -3.19 0.00 -1.26 -1.32 107.32 99.60 1xkh s GLY 428 Ca 0.65 1.03 -0.23 0.00 0.00 0.00 0.00 44.72 46.16 1xkh s GLY 428 CO 0.25 2.36 0.55 0.00 0.00 0.00 0.00 173.10 176.27 1xkh s ALA 429 N 2.51 -1.43 0.20 3.20 0.00 -0.99 0.76 121.76 126.02 1xkh s ALA 429 Ca 0.05 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1xkh s ALA 429 Cb -0.14 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 1xkh s ALA 429 CO -0.13 -0.57 0.46 -1.50 0.00 0.00 0.00 175.76 174.03 1xkh s ILE 430 N -2.74 5.08 -0.27 0.00 2.07 0.58 -1.50 121.20 124.43 1xkh s ILE 430 Ca -0.04 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1xkh s ILE 430 Cb -0.00 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.93 1xkh s ILE 430 CO -0.04 -0.09 0.01 0.61 -1.91 0.00 0.00 174.94 173.52 1xkh n GLY 432 N -0.28 -4.23 3.16 1.50 0.00 -1.26 -4.69 105.19 99.38 1xkh n GLY 432 Ca -0.02 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 1xkh n GLY 432 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xkh n ASP 433 N 0.69 -1.49 -0.00 1.61 8.00 -1.22 -4.84 116.55 119.30 1xkh n ASP 433 Ca -0.02 -0.35 0.04 0.00 0.71 0.00 0.00 54.79 55.16 1xkh n ASP 433 Cb 0.04 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 1xkh n ASP 433 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1xkh n TRP 434 N -1.47 0.00 0.13 1.24 5.03 -1.18 -3.48 117.44 117.71 1xkh n TRP 434 Ca -0.09 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.44 1xkh n TRP 434 Cb 0.22 -0.06 0.00 0.00 -1.03 0.00 0.00 31.31 30.44 1xkh n TRP 434 CO 0.00 0.00 0.00 -2.30 -0.03 0.00 0.00 177.69 175.36 1xkh n PRO 435 N -1.36 0.11 0.00 -0.99 -0.02 -1.26 -3.96 135.00 127.52 1xkh n PRO 435 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1xkh n PRO 435 Cb 0.14 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1xkh n PRO 435 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xkh n ALA 436 N 0.22 -0.12 -0.26 3.55 0.00 -1.24 -4.18 120.51 118.48 1xkh n ALA 436 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xkh n ALA 436 Cb 0.02 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.74 1xkh n ALA 436 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xkh n PRO 437 N 0.00 -0.06 -0.09 0.00 -0.04 -1.26 0.60 135.00 134.15 1xkh n PRO 437 Ca 0.00 1.13 -0.01 0.00 -0.04 0.00 0.00 63.50 64.58 1xkh n PRO 437 Cb 0.00 -1.84 0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1xkh n PRO 437 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xkh n ASP 438 N -5.01 2.49 -3.21 3.54 5.75 -1.26 -4.89 116.55 113.94 1xkh n ASP 438 Ca 0.20 -2.11 -0.34 0.00 -0.01 0.00 0.00 54.79 52.54 1xkh n ASP 438 Cb 0.66 -0.52 0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1xkh n ASP 438 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1xkh n ASN 439 N 0.26 -4.70 -3.62 -1.12 2.85 0.20 -4.97 115.26 104.17 1xkh n ASN 439 Ca 0.04 -0.19 -0.07 0.00 -0.11 0.00 0.00 54.58 54.24 1xkh n ASN 439 Cb 0.50 -1.38 -0.06 0.00 1.24 0.00 0.00 39.78 40.08 1xkh n ASN 439 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1xkh s SER 440 N -1.36 -0.27 -0.08 1.20 1.04 -1.24 -3.73 113.70 109.26 1xkh s SER 440 Ca 0.32 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.13 1xkh s SER 440 Cb -0.03 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.52 1xkh s SER 440 CO 0.76 -0.16 0.19 0.00 0.98 0.00 0.00 173.24 175.01 1xkh s ALA 441 N -0.43 -0.41 0.89 5.32 0.00 -1.23 -3.67 121.76 122.23 1xkh s ALA 441 Ca 0.04 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1xkh s ALA 441 Cb -0.03 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.72 1xkh s ALA 441 CO -0.06 -0.16 1.09 0.15 0.00 0.00 0.00 175.76 176.78 1xkh s LYS 442 N 1.01 1.28 -0.03 0.00 1.02 -1.26 -3.22 119.74 118.54 1xkh s LYS 442 Ca -0.08 0.89 -0.01 0.00 0.02 0.00 0.00 55.97 56.79 1xkh s LYS 442 Cb -0.09 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1xkh s LYS 442 CO -0.06 -2.25 0.06 0.96 -0.92 0.00 0.00 175.35 173.15 1xkh s ILE 443 N -2.90 -0.06 0.30 2.17 -4.36 0.10 -4.71 121.20 111.73 1xkh s ILE 443 Ca 0.63 0.23 -0.28 0.00 -0.26 0.00 0.00 60.65 60.97 1xkh s ILE 443 Cb -0.18 -0.13 -0.09 0.00 1.25 0.00 0.00 42.46 43.31 1xkh s ILE 443 CO 0.57 0.09 1.01 0.68 0.24 0.00 0.00 174.94 177.54 1xkh s VAL 444 N 1.18 3.85 0.03 8.37 -7.23 -0.56 -4.83 120.40 121.21 1xkh s VAL 444 Ca -0.08 1.70 0.06 0.00 -1.81 0.00 0.00 61.98 61.85 1xkh s VAL 444 Cb -0.13 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.77 1xkh s VAL 444 CO -0.04 0.29 -0.16 0.00 -0.31 0.00 0.00 175.10 174.88 1xkh s ALA 445 N -1.36 1.37 -0.21 1.32 0.00 -1.26 -2.35 121.76 119.26 1xkh s ALA 445 Ca 0.47 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1xkh s ALA 445 Cb -0.26 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.70 1xkh s ALA 445 CO 0.32 0.29 0.87 -0.65 0.00 0.00 0.00 175.76 176.59 1xkh s GLN 446 N -0.98 0.72 -0.07 0.00 -0.21 -0.43 -4.85 119.66 113.85 1xkh s GLN 446 Ca 0.04 0.58 0.06 0.00 0.02 0.00 0.00 55.36 56.06 1xkh s GLN 446 Cb -0.08 0.35 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 1xkh s GLN 446 CO 0.01 -0.14 -0.24 0.21 -2.12 0.00 0.00 175.29 173.01 1xkh s LYS 447 N -0.21 2.64 -0.07 2.91 2.20 -0.10 0.86 119.74 127.96 1xkh s LYS 447 Ca -0.01 -0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1xkh s LYS 447 Cb -0.03 -2.20 0.02 0.00 -1.51 0.00 0.00 37.83 34.11 1xkh s LYS 447 CO 0.00 0.36 -0.04 0.71 -0.36 0.00 0.00 175.35 176.03 1xkh s TYR 448 N -0.10 0.92 0.07 4.03 1.51 0.85 0.16 117.35 124.79 1xkh s TYR 448 Ca -0.05 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1xkh s TYR 448 Cb -0.14 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1xkh s TYR 448 CO 0.04 -0.33 -0.20 -0.08 -1.11 0.00 0.00 175.55 173.88 1xkh s THR 449 N 1.52 1.58 0.00 -0.71 -1.32 -0.94 0.14 115.64 115.91 1xkh s THR 449 Ca -0.01 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1xkh s THR 449 Cb -0.13 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1xkh s THR 449 CO -0.04 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1xkh n GLY 450 N 1.45 1.87 3.27 6.08 0.00 -0.36 -1.13 105.19 116.36 1xkh n GLY 450 Ca -0.19 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1xkh n GLY 450 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xkh s GLU 451 N -1.49 1.10 -0.26 1.61 2.12 -1.20 0.25 118.70 120.83 1xkh s GLU 451 Ca 0.00 -1.35 -0.01 0.00 0.36 0.00 0.00 54.97 53.97 1xkh s GLU 451 Cb 0.00 -0.93 0.14 0.00 0.26 0.00 0.00 34.13 33.60 1xkh s GLU 451 CO 0.00 0.17 0.37 -0.08 -0.54 0.00 0.00 175.26 175.17 1xkh s THR 452 N -2.47 -0.56 0.61 -1.70 -1.32 -0.96 -3.03 115.64 106.21 1xkh s THR 452 Ca 0.13 -0.22 -0.07 0.00 -1.21 0.00 0.00 61.69 60.33 1xkh s THR 452 Cb -0.03 -0.89 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1xkh s THR 452 CO 0.04 -0.24 0.93 -0.54 -2.21 0.00 0.00 174.62 172.60 1xkh s LYS 453 N 2.50 2.84 -0.28 7.08 1.02 -1.07 -1.72 119.74 130.11 1xkh s LYS 453 Ca 0.11 0.02 -0.23 0.00 0.02 0.00 0.00 55.97 55.89 1xkh s LYS 453 Cb -0.14 -2.23 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1xkh s LYS 453 CO -0.23 -0.79 0.89 0.45 -0.92 0.00 0.00 175.35 174.74 1xkh s SER 454 N -4.33 -0.61 0.04 2.83 0.15 -0.26 -1.12 113.70 110.41 1xkh s SER 454 Ca 0.55 1.13 0.05 0.00 0.70 0.00 0.00 55.95 58.38 1xkh s SER 454 Cb -0.11 1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1xkh s SER 454 CO 0.46 -0.19 -0.11 0.20 1.20 0.00 0.00 173.24 174.79 1xkh s ASN 455 N 0.54 4.29 -0.13 5.45 0.01 0.11 -1.32 114.94 123.88 1xkh s ASN 455 Ca -0.00 -0.30 -0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1xkh s ASN 455 Cb -0.05 -0.86 0.06 0.00 0.41 0.00 0.00 41.25 40.81 1xkh s ASN 455 CO -0.06 0.25 0.21 -0.44 -1.51 0.00 0.00 177.10 175.54 1xkh s SER 456 N -1.61 0.82 -0.28 -1.22 0.01 0.11 -0.44 113.70 111.09 1xkh s SER 456 Ca 0.17 0.26 -0.09 0.00 1.31 0.00 0.00 55.95 57.60 1xkh s SER 456 Cb -0.11 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 1xkh s SER 456 CO 0.08 -0.27 0.13 -0.22 0.41 0.00 0.00 173.24 173.38 1xkh s LEU 457 N 2.34 3.86 -0.16 2.44 2.96 0.18 -1.91 118.68 128.38 1xkh s LEU 457 Ca 0.03 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1xkh s LEU 457 Cb -0.13 -2.00 0.05 0.00 0.50 0.00 0.00 46.19 44.61 1xkh s LEU 457 CO -0.08 -0.11 0.02 -0.62 -1.32 0.00 0.00 176.35 174.24 1xkh s ASP 458 N 1.65 2.56 0.01 3.68 -1.08 -0.72 0.72 116.67 123.49 1xkh s ASP 458 Ca 0.06 -0.63 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 1xkh s ASP 458 Cb -0.16 -0.56 -0.02 0.00 -1.46 0.00 0.00 42.92 40.71 1xkh s ASP 458 CO 0.06 -0.27 -0.25 0.27 0.52 0.00 0.00 175.17 175.50 1xkh s ILE 459 N 1.88 1.98 -0.17 4.11 -4.36 -0.93 -1.37 121.20 122.34 1xkh s ILE 459 Ca 0.01 -1.18 -0.20 0.00 -0.26 0.00 0.00 60.65 59.01 1xkh s ILE 459 Cb -0.16 -1.67 0.05 0.00 1.25 0.00 0.00 42.46 41.93 1xkh s ILE 459 CO -0.07 0.45 0.54 -0.72 0.24 0.00 0.00 174.94 175.38 1xkh s TYR 460 N -0.68 -0.56 -0.12 1.37 -0.85 0.13 -1.95 117.35 114.69 1xkh s TYR 460 Ca 0.10 1.30 0.01 0.00 -0.52 0.00 0.00 57.07 57.96 1xkh s TYR 460 Cb -0.10 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1xkh s TYR 460 CO 0.00 -0.34 -0.15 -0.51 -1.52 0.00 0.00 175.55 173.03 1xkh s LEU 461 N -0.06 2.60 -0.16 -3.49 1.43 -0.05 -0.76 118.68 118.20 1xkh s LEU 461 Ca -0.03 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1xkh s LEU 461 Cb -0.03 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.68 1xkh s LEU 461 CO 0.02 0.18 0.15 0.28 0.23 0.00 0.00 176.35 177.21 1xkh s THR 462 N 0.26 -0.21 0.08 5.49 -1.32 -0.81 -1.94 115.64 117.19 1xkh s THR 462 Ca -0.11 -0.01 -0.27 0.00 -1.21 0.00 0.00 61.69 60.10 1xkh s THR 462 Cb -0.16 -0.53 0.09 0.00 -1.51 0.00 0.00 72.50 70.39 1xkh s THR 462 CO 0.06 -0.14 1.13 -0.83 -2.21 0.00 0.00 174.62 172.62 1xkh s GLY 463 N 2.24 -0.24 -0.10 6.08 0.00 -0.91 -3.44 107.32 110.95 1xkh s GLY 463 Ca 0.04 0.26 -0.40 0.00 0.00 0.00 0.00 44.72 44.63 1xkh s GLY 463 CO -0.09 0.86 1.37 -1.55 0.00 0.00 0.00 173.10 173.69 1xkh n PRO 464 N -0.55 0.62 -3.93 2.90 -0.04 -1.26 -2.79 135.00 129.96 1xkh n PRO 464 Ca -0.06 0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 1xkh n PRO 464 Cb 0.61 -1.81 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 1xkh n PRO 464 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1xkh s PHE 465 N 1.31 2.44 -0.25 0.54 5.36 0.69 -4.90 117.98 123.17 1xkh s PHE 465 Ca 0.92 -1.84 -0.21 0.00 -0.96 0.00 0.00 56.93 54.85 1xkh s PHE 465 Cb -1.16 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1xkh s PHE 465 CO 0.59 -0.79 0.65 -1.14 -1.46 0.00 0.00 175.22 173.07 1xkh s GLN 466 N 1.38 4.12 -0.05 10.12 2.00 -1.26 -0.88 119.66 135.09 1xkh s GLN 466 Ca -0.04 0.60 -0.02 0.00 -2.00 0.00 0.00 55.36 53.90 1xkh s GLN 466 Cb -0.19 -3.65 -0.02 0.00 0.80 0.00 0.00 33.01 29.95 1xkh s GLN 466 CO -0.08 -0.42 -0.07 0.34 -0.50 0.00 0.00 175.29 174.57 1xkh n PHE 467 N 5.71 0.00 -3.61 1.67 7.35 -1.26 -5.03 117.46 122.29 1xkh n PHE 467 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1xkh n PHE 467 Cb 0.49 -0.19 -0.01 0.00 0.35 0.00 0.00 39.48 40.11 1xkh n PHE 467 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 1xkh s LEU 468 N -6.18 -0.10 0.00 -2.13 0.05 -1.26 -5.06 118.68 104.00 1xkh s LEU 468 Ca -0.07 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.06 1xkh s LEU 468 Cb 0.03 1.35 0.00 0.00 -2.05 0.00 0.00 46.19 45.51 1xkh s LEU 468 CO 0.10 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.28 1xkh n GLY 469 N -0.21 0.20 3.34 -3.48 0.00 -1.26 -4.65 105.19 99.13 1xkh n GLY 469 Ca -0.02 0.74 -0.18 0.00 0.00 0.00 0.00 46.02 46.57 1xkh n GLY 469 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xkh s ARG 470 N 0.00 1.47 0.25 1.61 1.70 -1.26 -5.14 118.95 117.59 1xkh s ARG 470 Ca 0.00 -1.81 -0.30 0.00 -0.47 0.00 0.00 55.73 53.16 1xkh s ARG 470 Cb 0.00 -0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 33.96 1xkh s ARG 470 CO 0.00 -0.30 1.17 -1.83 -1.08 0.00 0.00 175.30 173.26 1xkh s GLU 471 N -3.99 4.54 0.00 3.89 -1.05 -1.26 -4.39 118.70 116.43 1xkh s GLU 471 Ca 0.37 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 1xkh s GLU 471 Cb 0.08 -3.19 0.00 0.00 -0.44 0.00 0.00 34.13 30.58 1xkh s GLU 471 CO 0.14 0.03 0.00 0.72 0.95 0.00 0.00 175.26 177.10 1xkh n HIS 472 N 1.65 0.00 -3.83 4.83 8.25 -0.06 -4.87 115.22 121.19 1xkh n HIS 472 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1xkh n HIS 472 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 1xkh n HIS 472 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1xkh s GLU 473 N -0.68 0.44 0.40 -0.41 1.03 -1.24 0.25 118.70 118.49 1xkh s GLU 473 Ca 0.00 -0.17 0.04 0.00 0.03 0.00 0.00 54.97 54.87 1xkh s GLU 473 Cb 0.00 0.19 -0.05 0.00 -0.80 0.00 0.00 34.13 33.47 1xkh s GLU 473 CO 0.00 -0.10 0.05 -1.17 -1.33 0.00 0.00 175.26 172.71 1xkh s LEU 474 N -0.96 2.34 -0.37 1.83 2.96 -1.12 -1.13 118.68 122.24 1xkh s LEU 474 Ca -0.10 -1.49 0.12 0.00 -0.22 0.00 0.00 54.13 52.44 1xkh s LEU 474 Cb -0.05 -0.53 0.42 0.00 0.50 0.00 0.00 46.19 46.52 1xkh s LEU 474 CO 0.02 -0.68 1.27 0.55 -1.32 0.00 0.00 176.35 176.18 1xkh n VAL 475 N -0.92 0.31 -1.37 1.68 3.14 -1.01 -2.14 118.33 118.02 1xkh n VAL 475 Ca -0.07 -1.90 -0.47 0.00 -2.96 0.00 0.00 64.34 58.94 1xkh n VAL 475 Cb 0.66 0.94 -0.03 0.00 -1.06 0.00 0.00 33.84 34.35 1xkh n VAL 475 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1xkh n VAL 476 N -0.59 1.91 -3.62 1.55 3.14 -0.82 -4.40 118.33 115.50 1xkh n VAL 476 Ca -0.01 -0.49 -0.07 0.00 -2.96 0.00 0.00 64.34 60.81 1xkh n VAL 476 Cb 0.84 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.57 1xkh n VAL 476 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1xkh s GLY 477 N -0.98 -0.02 0.08 7.55 0.00 -0.57 -0.87 107.32 112.50 1xkh s GLY 477 Ca 0.63 2.69 0.03 0.00 0.00 0.00 0.00 44.72 48.07 1xkh s GLY 477 CO 0.55 1.43 -0.09 -1.08 0.00 0.00 0.00 173.10 173.92 1xkh s THR 478 N -0.53 0.77 0.12 0.90 -1.32 -0.82 0.76 115.64 115.52 1xkh s THR 478 Ca 0.04 -1.58 -0.03 0.00 -1.21 0.00 0.00 61.69 58.92 1xkh s THR 478 Cb -0.03 -1.26 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1xkh s THR 478 CO -0.06 -0.60 0.08 -0.94 -2.21 0.00 0.00 174.62 170.89 1xkh s SER 479 N -2.39 0.29 -0.12 8.08 1.04 -0.69 -2.20 113.70 117.71 1xkh s SER 479 Ca 0.03 -1.09 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 1xkh s SER 479 Cb -0.02 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1xkh s SER 479 CO -0.01 -0.73 0.33 0.00 0.98 0.00 0.00 173.24 173.81 1xkh s ALA 480 N -4.00 -0.82 -0.08 5.32 0.00 0.22 -3.61 121.76 118.80 1xkh s ALA 480 Ca 0.19 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 1xkh s ALA 480 Cb 0.07 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1xkh s ALA 480 CO -0.01 -0.16 0.15 0.45 0.00 0.00 0.00 175.76 176.19 1xkh s SER 481 N 0.16 0.57 -0.33 0.00 0.15 -0.89 0.47 113.70 113.83 1xkh s SER 481 Ca -0.00 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.93 1xkh s SER 481 Cb -0.02 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.57 1xkh s SER 481 CO 0.01 -0.22 0.06 -0.36 1.20 0.00 0.00 173.24 173.93 1xkh s PHE 482 N 2.00 3.38 0.47 3.44 0.08 0.42 -2.78 117.98 124.99 1xkh s PHE 482 Ca 0.00 -2.07 0.07 0.00 0.12 0.00 0.00 56.93 55.06 1xkh s PHE 482 Cb -0.12 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1xkh s PHE 482 CO -0.06 -0.85 0.43 -1.54 -0.10 0.00 0.00 175.22 173.10 1xkh s SER 483 N 1.39 4.95 -0.30 1.36 1.04 -0.69 0.04 113.70 121.48 1xkh s SER 483 Ca -0.01 -0.89 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1xkh s SER 483 Cb -0.20 -0.21 0.19 0.00 0.10 0.00 0.00 66.02 65.90 1xkh s SER 483 CO -0.02 -0.85 0.80 -2.28 0.98 0.00 0.00 173.24 171.87 1xkh s HIS 484 N -2.57 -1.21 -0.26 5.02 5.04 -0.27 -3.29 115.29 117.74 1xkh s HIS 484 Ca 0.46 0.66 -0.08 0.00 -1.54 0.00 0.00 55.06 54.56 1xkh s HIS 484 Cb -0.03 0.21 -0.03 0.00 0.04 0.00 0.00 32.58 32.77 1xkh s HIS 484 CO 0.27 -0.71 0.10 -0.46 -2.34 0.00 0.00 174.74 171.60 1xkh s TRP 485 N 2.81 3.12 -0.01 3.88 -0.00 0.13 -2.58 118.94 126.29 1xkh s TRP 485 Ca 0.18 -0.33 0.04 0.00 -0.00 0.00 0.00 56.10 56.00 1xkh s TRP 485 Cb -0.06 -2.28 -0.01 0.00 -0.00 0.00 0.00 33.47 31.12 1xkh s TRP 485 CO -0.23 -0.33 -0.14 -1.83 -0.00 0.00 0.00 176.95 174.42 1xkh s GLU 486 N 1.65 1.13 0.12 5.86 -1.05 -1.17 -1.07 118.70 124.17 1xkh s GLU 486 Ca 0.06 -0.53 -0.26 0.00 -0.15 0.00 0.00 54.97 54.09 1xkh s GLU 486 Cb -0.15 -1.10 0.08 0.00 -0.44 0.00 0.00 34.13 32.51 1xkh s GLU 486 CO 0.05 0.30 1.04 0.20 0.95 0.00 0.00 175.26 177.80 1xkh s GLY 487 N -0.41 -0.23 0.35 -3.83 0.00 0.19 -3.24 107.32 100.15 1xkh s GLY 487 Ca 0.05 0.18 0.07 0.00 0.00 0.00 0.00 44.72 45.02 1xkh s GLY 487 CO -0.00 0.34 -0.02 0.54 0.00 0.00 0.00 173.10 173.96 1xkh s LYS 488 N -2.97 1.79 -0.17 2.90 1.02 -0.29 0.34 119.74 122.37 1xkh s LYS 488 Ca 0.14 -1.97 -0.09 0.00 0.02 0.00 0.00 55.97 54.07 1xkh s LYS 488 Cb -0.00 -1.43 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1xkh s LYS 488 CO 0.01 -0.00 0.40 -1.12 -0.92 0.00 0.00 175.35 173.73 1xkh s SER 489 N -3.59 -0.50 -0.19 2.83 0.01 -1.03 -2.22 113.70 109.01 1xkh s SER 489 Ca 0.33 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.48 1xkh s SER 489 Cb 0.06 0.76 0.02 0.00 0.21 0.00 0.00 66.02 67.08 1xkh s SER 489 CO 0.16 -0.19 -0.18 -0.31 0.41 0.00 0.00 173.24 173.13 1xkh s TYR 490 N 1.34 2.76 0.00 2.43 1.51 0.43 -0.59 117.35 125.23 1xkh s TYR 490 Ca -0.09 -1.67 0.00 0.00 -1.01 0.00 0.00 57.07 54.30 1xkh s TYR 490 Cb -0.08 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1xkh s TYR 490 CO -0.12 -0.80 0.40 -2.67 -1.11 0.00 0.00 175.55 171.25 1xkh n TRP 491 N 4.62 0.00 -2.90 2.71 2.14 -1.26 -0.92 117.44 121.83 1xkh n TRP 491 Ca -0.20 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 58.94 1xkh n TRP 491 Cb 0.49 0.01 0.01 0.00 -0.81 0.00 0.00 31.31 31.01 1xkh n TRP 491 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1xkh n ASN 492 N 0.00 6.14 -4.74 -0.67 5.03 -1.26 -5.01 115.26 114.75 1xkh n ASN 492 Ca 0.00 -3.34 -0.31 0.00 0.87 0.00 0.00 54.58 51.80 1xkh n ASN 492 Cb 0.46 -1.32 0.11 0.00 -1.02 0.00 0.00 39.78 38.01 1xkh n ASN 492 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xkh s LEU 493 N -2.20 3.02 -0.03 3.41 1.43 -1.26 -3.09 118.68 119.95 1xkh s LEU 493 Ca 0.33 1.97 0.01 0.00 -1.03 0.00 0.00 54.13 55.41 1xkh s LEU 493 Cb 0.05 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1xkh s LEU 493 CO 0.08 -2.34 -0.03 -0.13 0.23 0.00 0.00 176.35 174.15 1xkh s ARG 494 N -4.72 0.63 -0.80 1.70 0.52 -1.15 -4.82 118.95 110.31 1xkh s ARG 494 Ca 0.64 -0.07 -0.02 0.00 -0.52 0.00 0.00 55.73 55.76 1xkh s ARG 494 Cb -0.20 -0.68 -0.02 0.00 0.52 0.00 0.00 34.95 34.57 1xkh s ARG 494 CO 0.55 -0.07 0.74 0.09 0.02 0.00 0.00 175.30 176.63 1xkh n ASN 495 N 3.92 -7.17 -3.92 0.23 4.13 -1.26 -4.43 115.26 106.76 1xkh n ASN 495 Ca -0.25 -0.27 -0.12 0.00 1.68 0.00 0.00 54.58 55.62 1xkh n ASN 495 Cb 0.51 -5.08 -0.13 0.00 -1.54 0.00 0.00 39.78 33.55 1xkh n ASN 495 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1xkh s TYR 496 N -3.12 0.17 -0.29 3.10 5.04 -1.26 -4.85 117.35 116.14 1xkh s TYR 496 Ca 0.15 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 54.63 1xkh s TYR 496 Cb -0.02 -0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.25 1xkh s TYR 496 CO 0.71 -0.06 -0.05 0.34 -1.34 0.00 0.00 175.55 175.16 1xkh s ASP 497 N -0.49 4.59 -0.31 4.32 -1.08 -1.26 -5.00 116.67 117.44 1xkh s ASP 497 Ca -0.04 -1.63 0.07 0.00 -0.52 0.00 0.00 52.55 50.43 1xkh s ASP 497 Cb -0.03 -1.59 0.65 0.00 -1.46 0.00 0.00 42.92 40.48 1xkh s ASP 497 CO -0.00 -0.26 1.71 -0.46 0.52 0.00 0.00 175.17 176.68 1xkh n ASN 498 N 4.39 4.34 -4.91 -0.34 0.23 -1.26 -4.93 115.26 112.78 1xkh n ASN 498 Ca -0.08 -3.14 -0.28 0.00 -0.53 0.00 0.00 54.58 50.54 1xkh n ASN 498 Cb 0.42 -0.74 -0.03 0.00 -2.08 0.00 0.00 39.78 37.36 1xkh n ASN 498 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1xkh s THR 499 N -2.74 4.99 -0.05 5.53 -4.23 -1.26 -0.72 115.64 117.17 1xkh s THR 499 Ca 0.49 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1xkh s THR 499 Cb 0.40 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.49 1xkh s THR 499 CO 0.12 -0.43 -0.08 0.28 -0.54 0.00 0.00 174.62 173.97 1xkh s THR 500 N -2.21 0.78 0.00 3.99 -1.32 -1.20 -4.93 115.64 110.74 1xkh s THR 500 Ca 0.45 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1xkh s THR 500 Cb -0.10 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1xkh s THR 500 CO 0.32 0.27 0.21 -0.67 -2.21 0.00 0.00 174.62 172.54 1xkh n ASP 501 N 3.79 0.00 -4.10 8.08 2.03 -1.26 -3.48 116.55 121.60 1xkh n ASP 501 Ca -0.23 0.21 -0.15 0.00 0.52 0.00 0.00 54.79 55.13 1xkh n ASP 501 Cb 0.52 -0.04 -0.12 0.00 -0.72 0.00 0.00 41.12 40.77 1xkh n ASP 501 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1xkh s ASP 502 N -1.44 1.17 0.00 1.67 1.47 -1.25 -4.21 116.67 114.07 1xkh s ASP 502 Ca 0.00 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.15 1xkh s ASP 502 Cb 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.59 1xkh s ASP 502 CO 0.00 -0.16 0.00 0.33 0.68 0.00 0.00 175.17 176.02 1xkh n PHE 503 N 1.36 0.00 -1.02 2.11 7.35 -1.24 -4.77 117.46 121.24 1xkh n PHE 503 Ca -0.22 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.13 1xkh n PHE 503 Cb 0.55 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.40 1xkh n PHE 503 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1xkh n ILE 504 N -0.44 0.00 -3.24 -2.13 3.06 -1.26 -3.24 119.36 112.11 1xkh n ILE 504 Ca 0.00 -0.46 -0.22 0.00 -2.50 0.00 0.00 62.75 59.57 1xkh n ILE 504 Cb 0.00 0.00 0.02 0.00 0.54 0.00 0.00 39.64 40.20 1xkh n ILE 504 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1xkh n ASN 505 N 2.85 -5.59 -3.78 9.51 6.94 -1.26 -4.99 115.26 118.94 1xkh n ASN 505 Ca 0.02 0.07 -0.13 0.00 -0.02 0.00 0.00 54.58 54.52 1xkh n ASN 505 Cb 0.48 -1.49 -0.13 0.00 -2.36 0.00 0.00 39.78 36.28 1xkh n ASN 505 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1xkh s TRP 506 N -1.19 -0.19 -0.92 -2.53 1.48 -1.20 -4.98 118.94 109.40 1xkh s TRP 506 Ca 0.21 0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 55.75 1xkh s TRP 506 Cb -0.02 0.00 0.34 0.00 -1.16 0.00 0.00 33.47 32.62 1xkh s TRP 506 CO 0.48 -0.14 1.85 -0.25 -4.06 0.00 0.00 176.95 174.83 1xkh n ASP 507 N 3.66 7.24 -2.54 -2.66 8.00 -1.26 -4.71 116.55 124.28 1xkh n ASP 507 Ca -0.20 -3.75 -0.06 0.00 0.71 0.00 0.00 54.79 51.49 1xkh n ASP 507 Cb 0.55 -1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 1xkh n ASP 507 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xkh n GLY 508 N -0.26 -0.04 3.37 0.44 0.00 -1.25 -4.44 105.19 103.01 1xkh n GLY 508 Ca 0.49 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 1xkh n GLY 508 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xkh s ASP 509 N -2.55 5.73 0.12 1.61 -4.77 -1.26 0.36 116.67 115.90 1xkh s ASP 509 Ca 0.06 -1.00 -0.10 0.00 -3.30 0.00 0.00 52.55 48.21 1xkh s ASP 509 Cb -0.03 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.78 1xkh s ASP 509 CO 0.18 -0.39 0.26 -0.63 0.70 0.00 0.00 175.17 175.29 1xkh s ILE 510 N 1.55 0.10 0.56 2.11 1.01 -1.26 -5.01 121.20 120.27 1xkh s ILE 510 Ca 0.02 -1.19 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 1xkh s ILE 510 Cb -0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1xkh s ILE 510 CO 0.07 -0.47 1.29 -0.83 0.00 0.00 0.00 174.94 175.00 1xkh s GLY 511 N -2.90 2.84 -1.17 6.18 0.00 -1.26 -4.86 107.32 106.15 1xkh s GLY 511 Ca 0.10 1.19 -0.13 0.00 0.00 0.00 0.00 44.72 45.87 1xkh s GLY 511 CO -0.07 1.66 1.36 1.25 0.00 0.00 0.00 173.10 177.30 1xkh s LYS 512 N -3.04 4.07 0.99 2.90 2.20 -1.26 -5.01 119.74 120.59 1xkh s LYS 512 Ca 0.73 -2.61 -0.17 0.00 -0.36 0.00 0.00 55.97 53.57 1xkh s LYS 512 Cb -0.36 -4.98 -0.11 0.00 -1.51 0.00 0.00 37.83 30.87 1xkh s LYS 512 CO 0.41 -1.69 -0.57 -0.35 -0.36 0.00 0.00 175.35 172.79 1xkh n PRO 513 N 5.30 -0.09 -3.07 4.03 -0.04 -1.26 -4.89 135.00 134.98 1xkh n PRO 513 Ca 0.34 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 1xkh n PRO 513 Cb 0.43 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1xkh n PRO 513 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xkh s ASP 514 N -1.23 6.47 -0.11 3.54 -1.08 -1.26 -5.01 116.67 117.99 1xkh s ASP 514 Ca 0.44 0.24 -0.30 0.00 -0.52 0.00 0.00 52.55 52.41 1xkh s ASP 514 Cb -0.17 -2.35 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 1xkh s ASP 514 CO 0.79 -0.61 1.35 0.26 0.52 0.00 0.00 175.17 177.47 1xkh s TRP 515 N 2.79 2.72 0.00 -5.34 0.52 -1.26 -2.92 118.94 115.45 1xkh s TRP 515 Ca 0.26 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.23 1xkh s TRP 515 Cb -0.14 -3.60 0.00 0.00 -1.15 0.00 0.00 33.47 28.58 1xkh s TRP 515 CO 0.15 -2.18 0.00 0.41 0.02 0.00 0.00 176.95 175.35 1xkh n GLY 516 N 3.69 -2.51 3.88 0.98 0.00 -1.18 -4.95 105.19 105.11 1xkh n GLY 516 Ca 0.14 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1xkh n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xkh s THR 517 N 0.00 5.30 -0.10 2.61 -4.23 -1.26 -5.00 115.64 112.95 1xkh s THR 517 Ca 0.00 0.22 -0.41 0.00 -1.18 0.00 0.00 61.69 60.32 1xkh s THR 517 Cb 0.00 -3.56 -0.20 0.00 1.34 0.00 0.00 72.50 70.08 1xkh s THR 517 CO 0.00 0.40 1.20 -2.65 -0.54 0.00 0.00 174.62 173.02 1xkh n PRO 518 N 1.23 0.05 -0.07 3.99 -0.02 -1.26 -4.71 135.00 134.20 1xkh n PRO 518 Ca -0.12 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1xkh n PRO 518 Cb 0.53 -1.53 0.21 0.00 -0.02 0.00 0.00 33.50 32.70 1xkh n PRO 518 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xkh n SER 519 N 2.10 2.87 -3.42 2.55 7.64 0.24 -4.85 113.62 120.74 1xkh n SER 519 Ca 0.22 -1.92 0.01 0.00 1.01 0.00 0.00 58.87 58.20 1xkh n SER 519 Cb 0.06 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.11 1xkh n SER 519 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xkh s GLN 520 N -1.81 0.25 0.31 1.43 0.74 -1.19 -4.97 119.66 114.42 1xkh s GLN 520 Ca 0.33 0.58 0.07 0.00 0.05 0.00 0.00 55.36 56.38 1xkh s GLN 520 Cb 0.21 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.59 1xkh s GLN 520 CO 0.31 -0.08 0.38 0.71 -0.55 0.00 0.00 175.29 176.06 1xkh s TYR 521 N 2.11 3.13 -0.07 1.67 1.51 -1.26 -2.46 117.35 121.98 1xkh s TYR 521 Ca -0.04 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1xkh s TYR 521 Cb -0.05 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1xkh s TYR 521 CO -0.16 0.18 0.12 0.42 -1.11 0.00 0.00 175.55 175.00 1xkh s ILE 522 N -2.16 -0.19 -0.40 2.71 1.01 0.15 -4.96 121.20 117.36 1xkh s ILE 522 Ca 0.41 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1xkh s ILE 522 Cb -0.08 -0.24 0.16 0.00 0.01 0.00 0.00 42.46 42.31 1xkh s ILE 522 CO 0.29 0.15 0.35 -0.62 0.00 0.00 0.00 174.94 175.11 1xkh s ASP 523 N 2.08 1.44 0.04 3.58 -1.08 -1.26 0.54 116.67 122.00 1xkh s ASP 523 Ca 0.02 -2.59 0.08 0.00 -0.52 0.00 0.00 52.55 49.54 1xkh s ASP 523 Cb -0.12 -0.09 -0.03 0.00 -1.46 0.00 0.00 42.92 41.22 1xkh s ASP 523 CO -0.05 -0.20 -0.23 -1.81 0.52 0.00 0.00 175.17 173.40 1xkh s ASP 524 N 0.51 2.80 -0.04 -0.34 1.11 -0.23 -1.74 116.67 118.73 1xkh s ASP 524 Ca 0.28 -0.54 0.01 0.00 0.18 0.00 0.00 52.55 52.48 1xkh s ASP 524 Cb -0.04 -0.25 0.02 0.00 1.07 0.00 0.00 42.92 43.72 1xkh s ASP 524 CO -0.12 0.22 -0.04 -0.54 1.18 0.00 0.00 175.17 175.87 1xkh s LYS 525 N -1.13 0.77 -0.08 8.23 1.02 -0.92 0.19 119.74 127.83 1xkh s LYS 525 Ca 0.09 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.03 1xkh s LYS 525 Cb -0.09 -0.82 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1xkh s LYS 525 CO 0.02 -0.10 -0.13 0.95 -0.92 0.00 0.00 175.35 175.17 1xkh s THR 526 N 0.98 3.15 -0.60 2.17 -4.23 -1.21 -1.55 115.64 114.36 1xkh s THR 526 Ca -0.10 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 1xkh s THR 526 Cb -0.14 -2.27 0.16 0.00 1.34 0.00 0.00 72.50 71.59 1xkh s THR 526 CO -0.00 0.57 0.41 -0.60 -0.54 0.00 0.00 174.62 174.46 1xkh s ARG 527 N -0.43 2.01 -0.09 3.99 3.00 0.49 -1.71 118.95 126.21 1xkh s ARG 527 Ca 0.05 -2.90 -0.21 0.00 -1.00 0.00 0.00 55.73 51.67 1xkh s ARG 527 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 34.95 31.83 1xkh s ARG 527 CO 0.02 -1.27 0.61 -1.14 0.00 0.00 0.00 175.30 173.53 1xkh s GLN 528 N -0.85 4.39 0.00 5.12 0.74 -1.12 -3.36 119.66 124.58 1xkh s GLN 528 Ca 0.24 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.36 1xkh s GLN 528 Cb -0.08 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1xkh s GLN 528 CO -0.13 0.09 0.00 1.28 -0.55 0.00 0.00 175.29 175.98 1xkh n LEU 529 N 3.78 0.00 0.00 3.68 4.77 -0.93 -2.09 117.00 126.21 1xkh n LEU 529 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1xkh n LEU 529 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1xkh n LEU 529 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1xkh n GLY 530 N 5.00 4.00 3.17 -0.72 0.00 -1.24 -4.04 105.19 111.36 1xkh n GLY 530 Ca 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 1xkh n GLY 530 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xkh s SER 531 N 0.00 1.40 0.00 1.61 0.15 -1.25 -1.71 113.70 113.90 1xkh s SER 531 Ca 0.00 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1xkh s SER 531 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1xkh s SER 531 CO 0.00 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.17 1xkh n TYR 532 N 0.56 -0.04 -3.60 3.44 0.18 0.23 -2.17 117.16 115.77 1xkh n TYR 532 Ca -0.16 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.49 1xkh n TYR 532 Cb 0.58 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.47 1xkh n TYR 532 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1xkh s THR 534 N -1.54 0.00 -0.07 -3.48 2.01 -1.26 -1.51 115.64 109.78 1xkh s THR 534 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1xkh s THR 534 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1xkh s THR 534 CO 0.00 0.00 -0.23 0.00 -0.69 0.00 0.00 174.62 173.70 1xkh s ALA 535 N -0.34 2.00 -0.72 7.40 0.00 0.38 -2.40 121.76 128.07 1xkh s ALA 535 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1xkh s ALA 535 Cb -0.03 -0.68 0.24 0.00 0.00 0.00 0.00 23.12 22.65 1xkh s ALA 535 CO 0.01 0.34 0.77 -2.13 0.00 0.00 0.00 175.76 174.74 1xkh n ARG 536 N 3.21 2.59 -2.08 0.00 3.00 -0.28 -1.83 116.66 121.26 1xkh n ARG 536 Ca -0.18 -4.61 -0.31 0.00 -0.00 0.00 0.00 57.85 52.74 1xkh n ARG 536 Cb 0.52 -2.30 -0.00 0.00 0.00 0.00 0.00 32.46 30.68 1xkh n ARG 536 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1xkh s PHE 537 N -2.21 3.57 -0.20 -0.14 0.08 -0.11 -3.67 117.98 115.31 1xkh s PHE 537 Ca 0.35 1.31 -0.05 0.00 0.12 0.00 0.00 56.93 58.66 1xkh s PHE 537 Cb 0.08 -2.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.89 1xkh s PHE 537 CO -0.04 -0.57 0.09 0.54 -0.10 0.00 0.00 175.22 175.15 1xkh s ASN 538 N -3.85 2.63 0.27 1.36 6.03 -1.26 0.28 114.94 120.41 1xkh s ASN 538 Ca 0.56 -0.77 0.11 0.00 -1.03 0.00 0.00 52.86 51.73 1xkh s ASN 538 Cb -0.11 -0.29 0.34 0.00 -3.03 0.00 0.00 41.25 38.17 1xkh s ASN 538 CO 0.47 -0.37 1.60 0.58 -2.03 0.00 0.00 177.10 177.35 1xkh h VAL 539 N 6.42 1.39 -4.09 3.54 2.07 -1.80 -3.45 116.25 120.33 1xkh h VAL 539 Ca -0.16 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.05 1xkh h VAL 539 Cb 1.12 2.18 -0.18 0.00 -1.52 0.00 0.00 31.29 32.89 1xkh h VAL 539 CO 0.32 0.60 -0.69 -0.89 0.02 0.00 0.00 177.57 176.94 1xkh s THR 540 N -3.52 0.23 0.00 2.57 2.01 -1.03 -5.01 115.64 110.89 1xkh s THR 540 Ca -0.01 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.59 1xkh s THR 540 Cb 0.12 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1xkh s THR 540 CO 0.76 -0.74 0.46 0.47 -0.69 0.00 0.00 174.62 174.88 1xkh n ASP 541 N 0.80 1.35 0.03 3.53 8.00 -1.26 -2.16 116.55 126.83 1xkh n ASP 541 Ca -0.19 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1xkh n ASP 541 Cb 0.58 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1xkh n ASP 541 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1xkh n ASP 542 N 0.96 -0.28 -4.64 -2.24 9.92 -1.26 -4.95 116.55 114.07 1xkh n ASP 542 Ca 0.00 0.10 -0.40 0.00 -0.53 0.00 0.00 54.79 53.96 1xkh n ASP 542 Cb 0.20 0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 41.07 1xkh n ASP 542 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1xkh s LEU 543 N -5.28 4.09 0.08 0.64 0.20 -0.92 -2.75 118.68 114.75 1xkh s LEU 543 Ca 0.00 0.65 0.10 0.00 0.69 0.00 0.00 54.13 55.57 1xkh s LEU 543 Cb 0.00 -2.76 -0.03 0.00 -0.43 0.00 0.00 46.19 42.97 1xkh s LEU 543 CO 0.00 -0.28 -0.25 0.20 -0.29 0.00 0.00 176.35 175.72 1xkh s ASN 544 N 1.39 3.07 0.06 3.68 0.02 -0.43 -2.12 114.94 120.60 1xkh s ASN 544 Ca 0.24 -0.65 0.05 0.00 -1.02 0.00 0.00 52.86 51.48 1xkh s ASN 544 Cb -0.16 -0.24 -0.04 0.00 0.02 0.00 0.00 41.25 40.84 1xkh s ASN 544 CO 0.09 0.20 -0.05 -0.22 0.02 0.00 0.00 177.10 177.14 1xkh s LEU 545 N -1.59 3.26 -0.64 0.60 2.96 0.81 -1.96 118.68 122.11 1xkh s LEU 545 Ca 0.11 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1xkh s LEU 545 Cb -0.10 -1.97 0.16 0.00 0.50 0.00 0.00 46.19 44.78 1xkh s LEU 545 CO 0.04 0.22 0.42 -0.36 -1.32 0.00 0.00 176.35 175.34 1xkh s PHE 546 N -1.17 3.44 -0.15 5.38 0.08 0.59 -0.94 117.98 125.22 1xkh s PHE 546 Ca 0.21 -3.27 -0.11 0.00 0.12 0.00 0.00 56.93 53.89 1xkh s PHE 546 Cb -0.11 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.52 1xkh s PHE 546 CO 0.13 -0.62 0.20 -0.51 -0.10 0.00 0.00 175.22 174.32 1xkh s LEU 547 N -1.02 4.29 0.00 -0.37 1.43 -0.76 -2.15 118.68 120.09 1xkh s LEU 547 Ca 0.22 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1xkh s LEU 547 Cb -0.12 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1xkh s LEU 547 CO -0.10 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1xkh n GLY 548 N 2.92 2.08 3.81 -3.19 0.00 -0.61 0.14 105.19 110.34 1xkh n GLY 548 Ca -0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1xkh n GLY 548 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xkh s GLY 549 N 0.00 0.23 -0.12 -0.02 0.00 -1.26 0.18 107.32 106.33 1xkh s GLY 549 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.09 1xkh s GLY 549 CO 0.00 -0.26 0.04 -1.60 0.00 0.00 0.00 173.10 171.28 1xkh s ARG 550 N -3.09 0.40 0.76 2.90 3.52 0.28 -4.43 118.95 119.29 1xkh s ARG 550 Ca 0.14 -0.04 -0.05 0.00 -0.13 0.00 0.00 55.73 55.66 1xkh s ARG 550 Cb -0.05 -1.41 0.13 0.00 -1.56 0.00 0.00 34.95 32.06 1xkh s ARG 550 CO 0.10 -0.48 1.06 0.54 -0.81 0.00 0.00 175.30 175.70 1xkh s VAL 551 N 2.01 2.15 -0.18 7.11 0.11 -0.92 -0.32 120.40 130.35 1xkh s VAL 551 Ca 0.03 -0.43 -0.35 0.00 -2.93 0.00 0.00 61.98 58.30 1xkh s VAL 551 Cb -0.14 -2.73 0.14 0.00 -1.53 0.00 0.00 36.38 32.12 1xkh s VAL 551 CO -0.06 0.00 1.29 0.54 -3.33 0.00 0.00 175.10 173.54 1xkh s VAL 552 N -3.30 0.00 -0.02 2.04 0.11 -0.89 -3.75 120.40 114.60 1xkh s VAL 552 Ca 0.67 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.65 1xkh s VAL 552 Cb -0.06 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1xkh s VAL 552 CO 0.46 0.00 0.06 1.51 -3.33 0.00 0.00 175.10 173.80 1xkh s ASP 553 N -2.34 -0.04 -0.05 3.54 1.47 -1.26 -1.57 116.67 116.43 1xkh s ASP 553 Ca 0.11 0.06 0.05 0.00 1.18 0.00 0.00 52.55 53.95 1xkh s ASP 553 Cb 0.01 0.14 -0.01 0.00 -0.34 0.00 0.00 42.92 42.72 1xkh s ASP 553 CO -0.04 -0.07 -0.20 -0.47 0.68 0.00 0.00 175.17 175.07 1xkh s TYR 554 N -0.18 1.95 -0.08 2.11 6.14 0.50 -2.20 117.35 125.59 1xkh s TYR 554 Ca -0.02 -0.55 -0.03 0.00 0.64 0.00 0.00 57.07 57.11 1xkh s TYR 554 Cb -0.02 -1.29 0.04 0.00 0.42 0.00 0.00 41.96 41.11 1xkh s TYR 554 CO 0.00 -0.17 0.08 0.50 0.64 0.00 0.00 175.55 176.60 1xkh s ARG 555 N -0.07 -0.03 -0.57 4.97 3.52 -1.21 -0.23 118.95 125.34 1xkh s ARG 555 Ca -0.03 0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 1xkh s ARG 555 Cb -0.12 -0.87 0.36 0.00 -1.56 0.00 0.00 34.95 32.77 1xkh s ARG 555 CO 0.02 -0.43 1.07 1.55 -0.81 0.00 0.00 175.30 176.71 1xkh n VAL 556 N 5.30 3.04 -1.57 7.11 3.14 -0.96 0.19 118.33 134.57 1xkh n VAL 556 Ca -0.04 -5.38 -0.42 0.00 -2.96 0.00 0.00 64.34 55.54 1xkh n VAL 556 Cb 0.50 -1.36 -0.04 0.00 -1.06 0.00 0.00 33.84 31.88 1xkh n VAL 556 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xkh n THR 557 N -0.32 0.19 0.00 1.55 -2.24 -0.59 -4.46 114.28 108.41 1xkh n THR 557 Ca 0.35 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1xkh n THR 557 Cb 0.46 -2.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.17 1xkh n THR 557 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkh n GLY 558 N 5.94 4.78 0.43 3.38 0.00 -1.26 -2.15 105.19 116.30 1xkh n GLY 558 Ca 0.34 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1xkh n GLY 558 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xkh n LEU 559 N 0.00 1.83 -4.45 0.99 7.94 -0.71 -4.91 117.00 117.69 1xkh n LEU 559 Ca 0.00 -0.92 -0.23 0.00 -1.11 0.00 0.00 56.01 53.76 1xkh n LEU 559 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1xkh n LEU 559 CO 0.00 0.34 -0.45 0.20 -1.11 0.00 0.00 177.39 176.38 1xkh s ASN 560 N -1.26 3.30 0.00 1.96 -0.87 -1.26 -4.98 114.94 111.83 1xkh s ASN 560 Ca 0.13 -1.07 0.00 0.00 -1.57 0.00 0.00 52.86 50.35 1xkh s ASN 560 Cb 0.11 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 1xkh s ASN 560 CO 0.22 -0.08 0.16 -2.65 -2.57 0.00 0.00 177.10 172.17 1xkh n PRO 561 N -0.59 0.00 -0.76 -0.60 -0.02 -1.26 -4.63 135.00 127.13 1xkh n PRO 561 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 1xkh n PRO 561 Cb 0.61 -0.19 -0.04 0.00 -0.02 0.00 0.00 33.50 33.86 1xkh n PRO 561 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xkh n THR 562 N 0.79 0.00 -3.94 3.45 -1.04 -1.26 -4.96 114.28 107.32 1xkh n THR 562 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1xkh n THR 562 Cb 0.08 -0.03 -0.11 0.00 -1.82 0.00 0.00 70.33 68.45 1xkh n THR 562 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1xkh s ILE 563 N 0.15 0.09 0.14 12.58 -4.36 -1.26 -5.08 121.20 123.46 1xkh s ILE 563 Ca 0.46 -0.76 -0.22 0.00 -0.26 0.00 0.00 60.65 59.87 1xkh s ILE 563 Cb -0.65 -0.28 0.06 0.00 1.25 0.00 0.00 42.46 42.85 1xkh s ILE 563 CO 0.30 -0.42 0.57 0.00 0.24 0.00 0.00 174.94 175.63 1xkh s ARG 564 N -1.28 1.23 0.04 0.37 1.70 -1.26 -2.27 118.95 117.48 1xkh s ARG 564 Ca -0.14 -0.46 0.02 0.00 -0.47 0.00 0.00 55.73 54.68 1xkh s ARG 564 Cb -0.08 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1xkh s ARG 564 CO -0.00 -0.52 -0.07 -1.21 -1.08 0.00 0.00 175.30 172.42 1xkh s GLU 565 N -3.58 0.49 0.06 3.89 0.41 0.69 -4.94 118.70 115.71 1xkh s GLU 565 Ca 0.00 -0.73 -0.18 0.00 -0.41 0.00 0.00 54.97 53.66 1xkh s GLU 565 Cb -0.00 -0.24 0.04 0.00 -1.78 0.00 0.00 34.13 32.14 1xkh s GLU 565 CO -0.11 0.04 0.41 0.45 -0.49 0.00 0.00 175.26 175.55 1xkh s SER 566 N -1.53 -0.27 -0.52 -0.19 0.15 -1.26 0.19 113.70 110.26 1xkh s SER 566 Ca -0.11 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1xkh s SER 566 Cb -0.10 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1xkh s SER 566 CO 0.00 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1xkh n GLY 567 N 0.38 0.65 3.76 9.45 0.00 -0.61 -4.94 105.19 113.87 1xkh n GLY 567 Ca -0.18 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1xkh n GLY 567 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xkh s ARG 568 N -1.93 4.73 -0.23 1.61 6.06 -1.12 -4.84 118.95 123.24 1xkh s ARG 568 Ca 0.00 1.57 -0.08 0.00 -2.50 0.00 0.00 55.73 54.72 1xkh s ARG 568 Cb 0.00 -3.17 -0.04 0.00 0.06 0.00 0.00 34.95 31.81 1xkh s ARG 568 CO 0.00 0.37 0.08 0.12 -2.50 0.00 0.00 175.30 173.38 1xkh s PHE 569 N -1.24 3.16 -0.24 5.12 5.36 -1.26 -2.09 117.98 126.79 1xkh s PHE 569 Ca 0.44 -0.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1xkh s PHE 569 Cb -0.27 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 1xkh s PHE 569 CO 0.34 -0.14 0.03 0.42 -1.46 0.00 0.00 175.22 174.41 1xkh s ILE 570 N 1.17 4.03 0.11 3.12 1.01 0.56 -4.98 121.20 126.21 1xkh s ILE 570 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1xkh s ILE 570 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1xkh s ILE 570 CO 0.04 0.37 0.22 -2.16 0.00 0.00 0.00 174.94 173.41 1xkh s PRO 571 N 1.54 3.33 -0.20 2.79 0.04 -1.26 0.99 135.00 142.24 1xkh s PRO 571 Ca 0.06 -0.58 -0.02 0.00 0.04 0.00 0.00 61.00 60.50 1xkh s PRO 571 Cb -0.15 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.51 1xkh s PRO 571 CO 0.02 0.55 -0.00 -0.47 0.04 0.00 0.00 177.00 177.14 1xkh s TYR 572 N -1.63 1.47 -0.05 0.56 5.04 0.49 -3.51 117.35 119.71 1xkh s TYR 572 Ca 0.34 -1.10 -0.02 0.00 -2.44 0.00 0.00 57.07 53.84 1xkh s TYR 572 Cb -0.12 -1.20 0.04 0.00 0.35 0.00 0.00 41.96 41.03 1xkh s TYR 572 CO 0.27 -0.64 0.10 0.08 -1.34 0.00 0.00 175.55 174.02 1xkh s VAL 573 N 1.71 -0.15 0.31 3.14 1.01 -1.22 -1.57 120.40 123.63 1xkh s VAL 573 Ca -0.02 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.12 1xkh s VAL 573 Cb -0.17 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.04 1xkh s VAL 573 CO -0.07 0.14 0.74 -0.83 0.00 0.00 0.00 175.10 175.08 1xkh s GLY 574 N 1.94 0.06 -0.19 4.51 0.00 -0.92 -0.98 107.32 111.75 1xkh s GLY 574 Ca 0.01 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.00 1xkh s GLY 574 CO -0.04 -0.17 0.77 0.00 0.00 0.00 0.00 173.10 173.67 1xkh s ALA 575 N -3.42 -1.82 -0.03 3.20 0.00 -1.14 0.22 121.76 118.78 1xkh s ALA 575 Ca 0.13 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.90 1xkh s ALA 575 Cb -0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1xkh s ALA 575 CO 0.08 -0.33 -0.25 0.54 0.00 0.00 0.00 175.76 175.80 1xkh s VAL 576 N -0.27 2.13 -0.11 0.00 0.11 -0.83 -2.71 120.40 118.72 1xkh s VAL 576 Ca -0.03 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1xkh s VAL 576 Cb -0.03 -1.75 0.01 0.00 -1.53 0.00 0.00 36.38 33.09 1xkh s VAL 576 CO 0.03 0.58 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.73 1xkh s TYR 577 N -0.55 2.20 -0.65 1.54 5.04 0.22 -1.31 117.35 123.83 1xkh s TYR 577 Ca 0.08 -1.02 -0.25 0.00 -2.44 0.00 0.00 57.07 53.44 1xkh s TYR 577 Cb -0.11 -1.54 0.04 0.00 0.35 0.00 0.00 41.96 40.71 1xkh s TYR 577 CO -0.00 -0.48 1.11 -0.51 -1.34 0.00 0.00 175.55 174.32 1xkh s ASP 578 N 0.81 6.25 0.00 4.32 1.11 -1.11 -0.73 116.67 127.32 1xkh s ASP 578 Ca -0.09 -0.47 0.00 0.00 0.18 0.00 0.00 52.55 52.17 1xkh s ASP 578 Cb -0.16 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1xkh s ASP 578 CO 0.01 -1.54 0.00 0.18 1.18 0.00 0.00 175.17 175.00 1xkh n LEU 579 N 8.35 0.00 0.00 1.23 4.77 -1.22 -4.93 117.00 125.20 1xkh n LEU 579 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 1xkh n LEU 579 Cb 0.48 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 1xkh n LEU 579 CO 0.68 0.00 0.56 -3.20 -1.33 0.00 0.00 177.39 174.10 1xkh n ASN 580 N 0.00 -2.05 0.17 -1.43 2.85 -1.25 -4.87 115.26 108.68 1xkh n ASN 580 Ca 0.00 -1.12 0.13 0.00 -0.11 0.00 0.00 54.58 53.49 1xkh n ASN 580 Cb 0.00 -0.93 0.55 0.00 1.24 0.00 0.00 39.78 40.63 1xkh n ASN 580 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1xkh h ASP 581 N -2.62 0.00 0.00 1.20 3.32 -2.00 -3.39 116.42 112.93 1xkh h ASP 581 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1xkh h ASP 581 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1xkh h ASP 581 CO 0.25 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 178.18 1xkh n THR 582 N -2.46 0.00 -0.53 0.35 -1.04 -1.26 -4.94 114.28 104.40 1xkh n THR 582 Ca 0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 1xkh n THR 582 Cb 0.25 -0.23 0.23 0.00 -1.82 0.00 0.00 70.33 68.76 1xkh n THR 582 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1xkh n TYR 583 N 0.00 -1.43 -3.53 -1.42 4.01 -1.26 -4.15 117.16 109.37 1xkh n TYR 583 Ca 0.00 -0.08 -0.08 0.00 -0.16 0.00 0.00 57.90 57.58 1xkh n TYR 583 Cb 0.00 -1.63 -0.02 0.00 -0.31 0.00 0.00 39.34 37.38 1xkh n TYR 583 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1xkh s SER 584 N -2.19 -0.33 0.10 7.72 0.01 -0.37 -3.42 113.70 115.23 1xkh s SER 584 Ca 0.64 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.94 1xkh s SER 584 Cb -0.21 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 1xkh s SER 584 CO 0.66 -0.60 -0.17 0.68 0.41 0.00 0.00 173.24 174.22 1xkh s VAL 585 N -3.06 1.46 0.11 3.43 -7.23 0.09 -0.98 120.40 114.23 1xkh s VAL 585 Ca 0.06 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 58.66 1xkh s VAL 585 Cb -0.01 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1xkh s VAL 585 CO -0.08 -0.20 0.10 -0.72 -0.31 0.00 0.00 175.10 173.89 1xkh s TYR 586 N -1.46 0.57 0.04 2.82 1.13 -0.27 0.69 117.35 120.88 1xkh s TYR 586 Ca 0.05 -1.00 -0.10 0.00 -1.41 0.00 0.00 57.07 54.61 1xkh s TYR 586 Cb -0.09 -0.31 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1xkh s TYR 586 CO 0.04 -0.53 0.22 0.00 -2.51 0.00 0.00 175.55 172.77 1xkh s ALA 587 N -3.97 -0.44 -0.01 9.51 0.00 -1.10 -1.70 121.76 124.04 1xkh s ALA 587 Ca 0.15 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1xkh s ALA 587 Cb 0.06 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.54 1xkh s ALA 587 CO -0.03 -0.37 0.69 -1.54 0.00 0.00 0.00 175.76 174.50 1xkh s SER 588 N -2.06 -0.62 -0.61 0.00 1.04 0.36 -2.88 113.70 108.94 1xkh s SER 588 Ca -0.05 0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.97 1xkh s SER 588 Cb -0.01 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.82 1xkh s SER 588 CO -0.04 -0.66 0.46 0.00 0.98 0.00 0.00 173.24 173.98 1xkh n TYR 589 N 0.62 1.89 -2.91 5.02 9.36 -0.15 -1.53 117.16 129.46 1xkh n TYR 589 Ca -0.18 -3.98 -0.32 0.00 3.32 0.00 0.00 57.90 56.75 1xkh n TYR 589 Cb 0.59 -0.34 -0.05 0.00 -0.63 0.00 0.00 39.34 38.91 1xkh n TYR 589 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1xkh s THR 590 N -1.05 4.67 0.27 2.97 -4.23 -1.06 -3.68 115.64 113.54 1xkh s THR 590 Ca 0.28 0.91 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 1xkh s THR 590 Cb -0.00 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 1xkh s THR 590 CO -0.17 -0.39 0.10 -0.62 -0.54 0.00 0.00 174.62 173.00 1xkh s ASP 591 N -2.70 1.35 0.00 3.99 2.15 -1.23 -1.14 116.67 119.09 1xkh s ASP 591 Ca 0.54 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 52.11 1xkh s ASP 591 Cb -0.10 0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1xkh s ASP 591 CO 0.24 -0.75 0.00 0.00 -0.17 0.00 0.00 175.17 174.49 1xkh n ILE 592 N -0.50 0.00 -0.46 4.11 3.06 -0.78 -1.91 119.36 122.87 1xkh n ILE 592 Ca -0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1xkh n ILE 592 Cb 0.66 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.84 1xkh n ILE 592 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1xkh n PHE 593 N -0.24 0.00 -3.78 9.51 -1.74 -1.26 -0.92 117.46 119.03 1xkh n PHE 593 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 1xkh n PHE 593 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 1xkh n PHE 593 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1xkh s PRO 595 N 4.29 3.77 0.93 3.97 0.04 -1.26 0.11 135.00 146.85 1xkh s PRO 595 Ca 0.00 -0.42 -0.12 0.00 0.04 0.00 0.00 61.00 60.50 1xkh s PRO 595 Cb 0.00 -3.37 0.15 0.00 0.04 0.00 0.00 34.50 31.32 1xkh s PRO 595 CO 0.00 -0.10 1.09 -1.14 0.04 0.00 0.00 177.00 176.89 1xkh s GLN 596 N 1.40 1.00 0.73 4.56 0.74 -1.26 -4.94 119.66 121.89 1xkh s GLN 596 Ca 0.06 0.73 -0.11 0.00 0.05 0.00 0.00 55.36 56.09 1xkh s GLN 596 Cb -0.15 -1.79 0.03 0.00 1.10 0.00 0.00 33.01 32.20 1xkh s GLN 596 CO 0.05 -2.39 1.07 -0.51 -0.55 0.00 0.00 175.29 172.95 1xkh s ASP 597 N -3.43 5.13 0.40 6.67 1.11 -1.26 -4.96 116.67 120.33 1xkh s ASP 597 Ca 0.64 1.51 0.28 0.00 0.18 0.00 0.00 52.55 55.16 1xkh s ASP 597 Cb -0.18 -2.34 1.10 0.00 1.07 0.00 0.00 42.92 42.57 1xkh s ASP 597 CO 0.57 -1.59 1.83 0.28 1.18 0.00 0.00 175.17 177.44 1xkh h SER 598 N -0.82 0.00 -0.23 0.27 0.02 -1.96 -3.17 113.55 107.67 1xkh h SER 598 Ca -0.45 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1xkh h SER 598 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 1xkh h SER 598 CO 0.58 0.00 -0.09 -0.50 -1.14 0.00 0.00 176.83 175.68 1xkh h TRP 599 N 0.00 -0.20 -2.74 3.45 -0.00 -2.01 -3.40 115.95 111.04 1xkh h TRP 599 Ca 0.00 0.02 -0.56 0.00 -0.00 0.00 0.00 58.89 58.35 1xkh h TRP 599 Cb 0.51 0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.77 1xkh h TRP 599 CO 0.00 -0.14 1.06 0.71 -0.00 0.00 0.00 178.44 180.06 1xkh s TYR 600 N -6.19 2.24 0.07 0.49 2.02 -1.20 -4.84 117.35 109.93 1xkh s TYR 600 Ca -0.14 0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 57.01 1xkh s TYR 600 Cb 0.11 -3.84 -0.01 0.00 -0.40 0.00 0.00 41.96 37.82 1xkh s TYR 600 CO 0.69 -2.99 0.14 1.03 -1.57 0.00 0.00 175.55 172.84 1xkh s ARG 601 N 4.13 0.74 0.50 -0.62 1.81 -1.26 -3.56 118.95 120.69 1xkh s ARG 601 Ca 0.68 -0.92 0.08 0.00 -1.72 0.00 0.00 55.73 53.84 1xkh s ARG 601 Cb -0.27 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.55 1xkh s ARG 601 CO 0.26 -0.21 0.52 0.16 -0.68 0.00 0.00 175.30 175.35 1xkh s ASP 602 N -2.65 5.02 0.12 0.23 -4.77 -0.29 -0.56 116.67 113.77 1xkh s ASP 602 Ca 0.02 -0.88 0.06 0.00 -3.30 0.00 0.00 52.55 48.46 1xkh s ASP 602 Cb 0.04 -0.05 0.43 0.00 -1.09 0.00 0.00 42.92 42.24 1xkh s ASP 602 CO -0.09 -0.99 0.52 -1.54 0.70 0.00 0.00 175.17 173.78 1xkh n SER 603 N -1.84 0.10 0.00 2.11 3.41 -1.26 -1.78 113.62 114.36 1xkh n SER 603 Ca 0.06 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1xkh n SER 603 Cb 0.62 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1xkh n SER 603 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xkh n SER 604 N -3.79 0.00 0.00 4.04 2.88 -1.26 -5.01 113.62 110.47 1xkh n SER 604 Ca 0.12 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1xkh n SER 604 Cb 0.41 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1xkh n SER 604 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xkh n ASN 605 N -0.76 0.00 -4.42 -3.46 5.15 -0.73 -4.59 115.26 106.45 1xkh n ASN 605 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1xkh n ASN 605 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1xkh n ASN 605 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xkh s LYS 606 N 0.00 3.26 -0.62 1.20 -0.14 -1.26 -4.83 119.74 117.34 1xkh s LYS 606 Ca 0.00 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.69 1xkh s LYS 606 Cb 0.00 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1xkh s LYS 606 CO 0.00 0.30 2.03 -0.48 -0.76 0.00 0.00 175.35 176.45 1xkh s LEU 607 N 0.12 3.28 -0.01 3.17 2.34 -1.25 -1.14 118.68 125.20 1xkh s LEU 607 Ca -0.05 0.39 -0.10 0.00 0.06 0.00 0.00 54.13 54.43 1xkh s LEU 607 Cb -0.15 -2.53 -0.05 0.00 -0.56 0.00 0.00 46.19 42.91 1xkh s LEU 607 CO 0.04 -2.62 0.27 0.18 -1.06 0.00 0.00 176.35 173.16 1xkh n LEU 608 N 13.98 0.01 -4.06 1.48 4.77 -1.23 -4.71 117.00 127.24 1xkh n LEU 608 Ca 0.28 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 56.18 1xkh n LEU 608 Cb 0.52 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1xkh n LEU 608 CO 0.69 -0.45 -1.25 -0.62 -1.33 0.00 0.00 177.39 174.43 1xkh n GLU 609 N 0.39 -0.07 -1.67 3.23 4.71 -1.26 -4.68 120.64 121.29 1xkh n GLU 609 Ca 0.05 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.16 56.75 1xkh n GLU 609 Cb 0.02 -1.12 -0.01 0.00 -1.01 0.00 0.00 31.44 29.32 1xkh n GLU 609 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1xkh n PRO 610 N 1.87 1.94 -2.03 3.49 -0.04 -1.26 -4.75 135.00 134.22 1xkh n PRO 610 Ca -0.01 0.68 -0.43 0.00 -0.04 0.00 0.00 63.50 63.70 1xkh n PRO 610 Cb 0.58 -2.21 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1xkh n PRO 610 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xkh s ASP 611 N -0.34 5.95 0.35 3.54 -1.08 -1.26 -4.78 116.67 119.05 1xkh s ASP 611 Ca 0.57 1.28 0.09 0.00 -0.52 0.00 0.00 52.55 53.96 1xkh s ASP 611 Cb -0.60 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.26 1xkh s ASP 611 CO 0.61 -1.66 -0.05 -0.70 0.52 0.00 0.00 175.17 173.89 1xkh s GLU 612 N 5.55 1.91 -0.12 4.34 2.12 -1.11 -4.45 118.70 126.95 1xkh s GLU 612 Ca 0.78 -1.92 -0.32 0.00 0.36 0.00 0.00 54.97 53.87 1xkh s GLU 612 Cb -0.22 -1.76 0.12 0.00 0.26 0.00 0.00 34.13 32.54 1xkh s GLU 612 CO 0.34 0.10 1.07 0.20 -0.54 0.00 0.00 175.26 176.43 1xkh s GLY 613 N -3.66 -0.35 -0.01 -1.50 0.00 -0.10 -0.84 107.32 100.86 1xkh s GLY 613 Ca 0.34 1.43 0.02 0.00 0.00 0.00 0.00 44.72 46.50 1xkh s GLY 613 CO 0.18 0.51 -0.05 1.20 0.00 0.00 0.00 173.10 174.93 1xkh s GLN 614 N -2.57 0.47 -0.37 2.90 1.11 -1.06 -1.87 119.66 118.26 1xkh s GLN 614 Ca 0.07 -0.17 -0.13 0.00 0.01 0.00 0.00 55.36 55.14 1xkh s GLN 614 Cb -0.01 -0.46 0.01 0.00 -1.01 0.00 0.00 33.01 31.54 1xkh s GLN 614 CO -0.06 0.09 0.25 1.21 0.01 0.00 0.00 175.29 176.78 1xkh s ASN 615 N 0.02 5.94 -0.36 5.90 2.47 -0.29 -1.91 114.94 126.71 1xkh s ASN 615 Ca 0.00 -0.76 -0.20 0.00 0.42 0.00 0.00 52.86 52.32 1xkh s ASN 615 Cb -0.04 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1xkh s ASN 615 CO -0.00 -0.35 0.62 -0.31 -3.72 0.00 0.00 177.10 173.34 1xkh s TYR 616 N 1.65 3.14 0.08 0.43 2.02 0.43 -2.57 117.35 122.54 1xkh s TYR 616 Ca 0.05 0.28 0.06 0.00 -0.37 0.00 0.00 57.07 57.09 1xkh s TYR 616 Cb -0.18 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.21 1xkh s TYR 616 CO 0.09 -0.64 -0.17 -2.00 -1.57 0.00 0.00 175.55 171.26 1xkh s GLU 617 N 2.68 0.98 -0.28 -0.62 2.12 -0.58 0.43 118.70 123.43 1xkh s GLU 617 Ca 0.23 -1.00 -0.11 0.00 0.36 0.00 0.00 54.97 54.45 1xkh s GLU 617 Cb -0.15 -1.09 0.11 0.00 0.26 0.00 0.00 34.13 33.27 1xkh s GLU 617 CO 0.15 0.25 0.63 -1.50 -0.54 0.00 0.00 175.26 174.26 1xkh s ILE 618 N -1.14 -0.65 0.29 -3.70 2.07 -0.11 -0.49 121.20 117.47 1xkh s ILE 618 Ca 0.02 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.08 1xkh s ILE 618 Cb -0.10 -0.96 0.05 0.00 0.13 0.00 0.00 42.46 41.59 1xkh s ILE 618 CO 0.03 0.01 0.85 -0.83 -1.91 0.00 0.00 174.94 173.08 1xkh s GLY 619 N 2.46 0.12 -0.04 1.50 0.00 -0.69 0.80 107.32 111.47 1xkh s GLY 619 Ca -0.07 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1xkh s GLY 619 CO -0.18 0.32 -0.17 -1.50 0.00 0.00 0.00 173.10 171.57 1xkh s ILE 620 N -2.80 1.38 0.43 0.90 2.07 -0.55 -1.12 121.20 121.52 1xkh s ILE 620 Ca 0.15 -0.69 0.07 0.00 -1.41 0.00 0.00 60.65 58.77 1xkh s ILE 620 Cb -0.04 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1xkh s ILE 620 CO 0.08 0.40 0.23 -0.54 -1.91 0.00 0.00 174.94 173.20 1xkh s LYS 621 N 0.04 2.28 -0.30 3.50 1.02 -0.15 -2.04 119.74 124.09 1xkh s LYS 621 Ca -0.03 -1.82 -0.13 0.00 0.02 0.00 0.00 55.97 54.00 1xkh s LYS 621 Cb -0.11 -2.05 0.15 0.00 -0.52 0.00 0.00 37.83 35.30 1xkh s LYS 621 CO 0.02 -0.18 0.86 0.20 -0.92 0.00 0.00 175.35 175.32 1xkh s GLY 622 N -3.98 -0.38 0.15 -3.33 0.00 0.60 -1.23 107.32 99.15 1xkh s GLY 622 Ca 0.41 2.79 0.07 0.00 0.00 0.00 0.00 44.72 47.98 1xkh s GLY 622 CO 0.23 3.07 -0.01 -1.83 0.00 0.00 0.00 173.10 174.56 1xkh s GLU 623 N 2.45 2.39 -0.05 2.90 -1.05 -1.26 0.05 118.70 124.14 1xkh s GLU 623 Ca -0.05 -1.04 -0.02 0.00 -0.15 0.00 0.00 54.97 53.72 1xkh s GLU 623 Cb -0.08 -2.39 0.03 0.00 -0.44 0.00 0.00 34.13 31.26 1xkh s GLU 623 CO -0.18 0.48 0.08 0.71 0.95 0.00 0.00 175.26 177.31 1xkh s TYR 624 N -1.57 -0.02 0.00 4.83 1.51 -0.28 -4.77 117.35 117.05 1xkh s TYR 624 Ca 0.26 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 1xkh s TYR 624 Cb -0.10 -0.35 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1xkh s TYR 624 CO 0.18 -0.19 0.00 1.28 -1.11 0.00 0.00 175.55 175.71 1xkh n LEU 625 N 4.99 -1.98 0.00 -1.29 4.77 -1.26 -1.98 117.00 120.25 1xkh n LEU 625 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1xkh n LEU 625 Cb 0.50 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1xkh n LEU 625 CO 0.10 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.49 1xkh n ASP 626 N -0.61 0.00 0.00 -1.43 2.03 -1.26 0.19 116.55 115.47 1xkh n ASP 626 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xkh n ASP 626 Cb 0.12 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1xkh n ASP 626 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xkh n GLY 627 N -0.35 0.35 0.12 0.27 0.00 -1.26 -5.04 105.19 99.29 1xkh n GLY 627 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xkh n GLY 627 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xkh h ARG 628 N 0.00 0.31 -6.52 1.61 -0.00 -0.23 -3.45 114.38 106.10 1xkh h ARG 628 Ca 0.00 -0.48 -0.69 0.00 -0.50 0.00 0.00 59.98 58.31 1xkh h ARG 628 Cb 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 29.97 29.84 1xkh h ARG 628 CO 0.00 1.20 -0.89 -1.17 0.00 0.00 0.00 179.97 179.11 1xkh s LEU 629 N -7.31 2.05 -0.12 3.04 2.96 -0.84 0.31 118.68 118.77 1xkh s LEU 629 Ca -0.05 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 1xkh s LEU 629 Cb 0.07 -1.32 0.06 0.00 0.50 0.00 0.00 46.19 45.51 1xkh s LEU 629 CO 0.88 0.31 0.25 0.21 -1.32 0.00 0.00 176.35 176.68 1xkh s ASN 630 N -0.57 0.24 0.33 3.68 3.04 -0.65 -1.12 114.94 119.88 1xkh s ASN 630 Ca 0.09 0.56 0.10 0.00 0.04 0.00 0.00 52.86 53.65 1xkh s ASN 630 Cb -0.10 0.60 -0.06 0.00 -1.54 0.00 0.00 41.25 40.15 1xkh s ASN 630 CO -0.01 -0.22 -0.07 0.42 -3.04 0.00 0.00 177.10 174.18 1xkh s THR 631 N 2.14 2.46 0.00 -5.21 -4.23 0.11 -1.35 115.64 109.55 1xkh s THR 631 Ca -0.01 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1xkh s THR 631 Cb -0.12 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1xkh s THR 631 CO -0.08 -0.24 0.00 -1.54 -0.54 0.00 0.00 174.62 172.22 1xkh n SER 632 N -0.82 0.00 -3.76 3.99 3.41 -1.19 -0.29 113.62 114.96 1xkh n SER 632 Ca -0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 1xkh n SER 632 Cb 0.62 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 1xkh n SER 632 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1xkh s LEU 633 N 0.00 0.87 0.25 1.04 2.34 -0.87 -2.03 118.68 120.29 1xkh s LEU 633 Ca 0.00 0.26 -0.00 0.00 0.06 0.00 0.00 54.13 54.45 1xkh s LEU 633 Cb 0.00 0.31 -0.03 0.00 -0.56 0.00 0.00 46.19 45.91 1xkh s LEU 633 CO 0.00 -0.13 0.24 0.00 -1.06 0.00 0.00 176.35 175.40 1xkh s ALA 634 N 1.03 1.17 -0.18 1.48 0.00 -0.32 -1.48 121.76 123.46 1xkh s ALA 634 Ca -0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 1xkh s ALA 634 Cb -0.10 1.36 0.00 0.00 0.00 0.00 0.00 23.12 24.38 1xkh s ALA 634 CO -0.05 -0.66 -0.12 0.71 0.00 0.00 0.00 175.76 175.64 1xkh s TYR 635 N -3.84 2.85 0.01 0.00 1.51 0.24 -1.80 117.35 116.33 1xkh s TYR 635 Ca 0.37 -1.14 0.07 0.00 -1.01 0.00 0.00 57.07 55.36 1xkh s TYR 635 Cb 0.04 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1xkh s TYR 635 CO 0.17 -0.58 -0.22 -0.59 -1.11 0.00 0.00 175.55 173.22 1xkh s PHE 636 N 1.16 1.99 -0.03 2.71 -0.12 0.43 -0.93 117.98 123.18 1xkh s PHE 636 Ca 0.01 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1xkh s PHE 636 Cb -0.14 -1.23 0.03 0.00 -0.63 0.00 0.00 43.02 41.05 1xkh s PHE 636 CO -0.05 0.04 0.04 -2.00 -0.05 0.00 0.00 175.22 173.21 1xkh s GLU 637 N -0.87 -0.05 -0.04 1.99 2.12 0.17 -0.23 118.70 121.78 1xkh s GLU 637 Ca 0.09 0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1xkh s GLU 637 Cb -0.09 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 1xkh s GLU 637 CO 0.01 -0.23 -0.09 0.42 -0.54 0.00 0.00 175.26 174.82 1xkh s ILE 638 N 1.49 3.49 -0.17 -3.70 1.01 2.00 0.16 121.20 125.49 1xkh s ILE 638 Ca -0.04 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1xkh s ILE 638 Cb -0.13 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1xkh s ILE 638 CO -0.03 0.52 -0.17 -1.00 0.00 0.00 0.00 174.94 174.26 1xkh s HIS 639 N -0.85 2.53 -0.12 3.97 3.76 -0.80 0.15 115.29 123.92 1xkh s HIS 639 Ca 0.14 -1.49 -0.06 0.00 -0.15 0.00 0.00 55.06 53.50 1xkh s HIS 639 Cb -0.11 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1xkh s HIS 639 CO 0.03 -0.75 0.11 -2.00 -0.85 0.00 0.00 174.74 171.28 1xkh s GLU 640 N 1.37 3.45 0.03 1.40 2.12 0.31 -2.56 118.70 124.82 1xkh s GLU 640 Ca 0.04 -0.20 0.07 0.00 0.36 0.00 0.00 54.97 55.24 1xkh s GLU 640 Cb -0.13 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1xkh s GLU 640 CO -0.12 0.70 -0.18 -1.21 -0.54 0.00 0.00 175.26 173.91 1xkh s GLU 641 N -0.80 2.13 -1.34 4.30 8.01 -0.02 -1.59 118.70 129.38 1xkh s GLU 641 Ca 0.13 -0.94 -0.10 0.00 0.01 0.00 0.00 54.97 54.07 1xkh s GLU 641 Cb -0.12 -2.21 0.00 0.00 -4.31 0.00 0.00 34.13 27.50 1xkh s GLU 641 CO 0.03 0.55 0.48 0.09 0.01 0.00 0.00 175.26 176.42 1xkh n ASN 642 N 1.67 -1.82 -4.74 -0.19 5.03 -1.26 -2.73 115.26 111.23 1xkh n ASN 642 Ca -0.16 -1.10 -0.41 0.00 0.87 0.00 0.00 54.58 53.78 1xkh n ASN 642 Cb 0.52 -2.69 -0.04 0.00 -1.02 0.00 0.00 39.78 36.55 1xkh n ASN 642 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1xkh s ARG 643 N -6.69 4.52 -0.59 3.52 3.52 0.06 -4.34 118.95 118.94 1xkh s ARG 643 Ca 0.18 1.86 -0.28 0.00 -0.13 0.00 0.00 55.73 57.37 1xkh s ARG 643 Cb -0.08 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 1xkh s ARG 643 CO 0.91 -0.04 1.35 0.00 -0.81 0.00 0.00 175.30 176.72 1xkh s ALA 644 N -0.27 2.83 -0.08 6.12 0.00 -1.26 -2.14 121.76 126.96 1xkh s ALA 644 Ca 0.51 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1xkh s ALA 644 Cb -0.32 -4.11 -0.02 0.00 0.00 0.00 0.00 23.12 18.66 1xkh s ALA 644 CO 0.38 -2.94 -0.12 -2.00 0.00 0.00 0.00 175.76 171.08 1xkh s GLU 645 N 5.44 2.85 0.03 0.00 2.56 -0.43 -4.98 118.70 124.18 1xkh s GLU 645 Ca 0.48 -0.66 -0.30 0.00 0.00 0.00 0.00 54.97 54.49 1xkh s GLU 645 Cb -0.10 -2.51 -0.08 0.00 2.00 0.00 0.00 34.13 33.44 1xkh s GLU 645 CO 0.23 0.50 1.82 -1.83 -0.56 0.00 0.00 175.26 175.42 1xkh s GLU 646 N -0.39 4.16 0.56 4.30 -1.05 -1.26 0.51 118.70 125.53 1xkh s GLU 646 Ca 0.05 2.46 -0.21 0.00 -0.15 0.00 0.00 54.97 57.12 1xkh s GLU 646 Cb -0.12 -3.95 -0.05 0.00 -0.44 0.00 0.00 34.13 29.57 1xkh s GLU 646 CO 0.02 -0.88 1.23 -3.47 0.95 0.00 0.00 175.26 173.11 1xkh n ASP 647 N 6.88 2.02 -0.05 0.83 -0.08 -1.02 -4.72 116.55 120.42 1xkh n ASP 647 Ca 0.18 0.92 -0.05 0.00 -1.51 0.00 0.00 54.79 54.33 1xkh n ASP 647 Cb 0.41 -1.51 -0.02 0.00 2.34 0.00 0.00 41.12 42.34 1xkh n ASP 647 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xkh n ALA 648 N -1.27 0.51 0.31 -1.67 0.00 -1.26 -4.52 120.51 112.61 1xkh n ALA 648 Ca 0.12 -0.57 0.14 0.00 0.00 0.00 0.00 53.44 53.12 1xkh n ALA 648 Cb 0.45 0.02 0.68 0.00 0.00 0.00 0.00 19.45 20.60 1xkh n ALA 648 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xkh h LEU 649 N -0.61 0.00 -9.32 0.00 5.85 -1.98 -3.40 115.31 105.85 1xkh h LEU 649 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1xkh h LEU 649 Cb 0.58 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1xkh h LEU 649 CO 0.00 0.00 0.49 -0.47 -0.34 0.00 0.00 178.44 178.12 1xkh s TYR 650 N -4.13 3.57 0.00 1.25 5.04 -1.26 -3.94 117.35 117.88 1xkh s TYR 650 Ca -0.03 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 1xkh s TYR 650 Cb 0.08 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.23 1xkh s TYR 650 CO 0.26 -0.15 0.00 0.27 -1.34 0.00 0.00 175.55 174.58 1xkh n ASN 651 N 4.58 0.00 -3.79 4.32 2.04 -1.26 -4.94 115.26 116.21 1xkh n ASN 651 Ca 0.08 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.80 1xkh n ASN 651 Cb 0.50 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 1xkh n ASN 651 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 1xkh n SER 652 N 0.00 5.94 -4.56 0.53 2.88 -1.25 -4.96 113.62 112.19 1xkh n SER 652 Ca 0.00 -3.16 -0.40 0.00 -1.33 0.00 0.00 58.87 53.98 1xkh n SER 652 Cb 0.00 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.01 1xkh n SER 652 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xkh s LYS 653 N -0.41 2.95 -1.15 -1.46 1.02 -1.26 -4.91 119.74 114.52 1xkh s LYS 653 Ca 0.42 0.52 -0.23 0.00 0.02 0.00 0.00 55.97 56.70 1xkh s LYS 653 Cb 0.11 -4.27 -0.09 0.00 -0.52 0.00 0.00 37.83 33.06 1xkh s LYS 653 CO -0.01 -2.36 1.93 -2.30 -0.92 0.00 0.00 175.35 171.69 1xkh n PRO 654 N 9.01 1.61 -0.18 -1.68 -0.02 -1.26 -4.78 135.00 137.70 1xkh n PRO 654 Ca 0.16 -2.42 -0.08 0.00 -2.02 0.00 0.00 63.50 59.14 1xkh n PRO 654 Cb 0.50 -3.65 -0.01 0.00 -0.02 0.00 0.00 33.50 30.32 1xkh n PRO 654 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xkh n THR 655 N 7.62 0.00 -4.49 3.45 5.66 -1.26 -4.96 114.28 120.30 1xkh n THR 655 Ca 0.45 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.20 1xkh n THR 655 Cb 0.46 -0.07 -0.07 0.00 -1.55 0.00 0.00 70.33 69.10 1xkh n THR 655 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xkh n ASN 656 N 0.83 1.09 -0.16 1.09 3.02 -1.26 -4.92 115.26 114.95 1xkh n ASN 656 Ca 0.06 -3.21 -0.02 0.00 -0.03 0.00 0.00 54.58 51.39 1xkh n ASN 656 Cb -0.01 1.09 0.07 0.00 -0.61 0.00 0.00 39.78 40.33 1xkh n ASN 656 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xkh h PRO 657 N 0.00 0.24 -0.82 3.52 0.11 -1.94 0.77 132.00 133.87 1xkh h PRO 657 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xkh h PRO 657 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xkh h PRO 657 CO 0.50 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1xkh n ALA 658 N -2.54 2.07 -0.69 -0.75 0.00 -1.26 -4.55 120.51 112.79 1xkh n ALA 658 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xkh n ALA 658 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1xkh n ALA 658 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1xkh n ILE 659 N 0.26 0.00 0.00 0.00 3.06 0.27 -3.88 119.36 119.07 1xkh n ILE 659 Ca 0.00 0.60 0.00 0.00 -2.50 0.00 0.00 62.75 60.85 1xkh n ILE 659 Cb 0.21 -0.94 0.00 0.00 0.54 0.00 0.00 39.64 39.45 1xkh n ILE 659 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1xkh n THR 660 N -0.62 0.00 -4.34 9.51 -2.24 -1.26 -4.67 114.28 110.65 1xkh n THR 660 Ca 0.00 0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 1xkh n THR 660 Cb 0.00 -0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 1xkh n THR 660 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xkh s TYR 661 N 0.00 1.95 -0.14 4.78 5.04 -1.25 -4.80 117.35 122.93 1xkh s TYR 661 Ca 0.00 -0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 1xkh s TYR 661 Cb 0.00 -1.07 0.04 0.00 0.35 0.00 0.00 41.96 41.27 1xkh s TYR 661 CO 0.00 0.24 0.37 0.00 -1.34 0.00 0.00 175.55 174.81 1xkh s ALA 662 N -1.11 -0.90 0.45 3.97 0.00 -1.26 -4.86 121.76 118.05 1xkh s ALA 662 Ca 0.09 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.16 1xkh s ALA 662 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1xkh s ALA 662 CO 0.05 -0.17 0.52 0.71 0.00 0.00 0.00 175.76 176.87 1xkh s TYR 663 N 0.20 2.47 0.36 0.00 1.51 0.28 -2.42 117.35 119.74 1xkh s TYR 663 Ca -0.00 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1xkh s TYR 663 Cb -0.03 -2.24 -0.07 0.00 -0.11 0.00 0.00 41.96 39.51 1xkh s TYR 663 CO 0.00 -0.43 0.04 -1.59 -1.11 0.00 0.00 175.55 172.46 1xkh s LYS 664 N -4.32 1.77 -0.33 -0.62 -2.85 0.18 -3.62 119.74 109.97 1xkh s LYS 664 Ca 0.52 -2.00 0.03 0.00 -1.00 0.00 0.00 55.97 53.52 1xkh s LYS 664 Cb -0.06 -1.15 0.09 0.00 -2.06 0.00 0.00 37.83 34.65 1xkh s LYS 664 CO 0.31 -0.15 0.03 0.20 0.10 0.00 0.00 175.35 175.84 1xkh s GLY 665 N -3.57 1.88 0.19 0.59 0.00 -1.26 -1.31 107.32 103.83 1xkh s GLY 665 Ca 0.35 -2.35 0.09 0.00 0.00 0.00 0.00 44.72 42.81 1xkh s GLY 665 CO 0.16 0.87 -0.07 -1.50 0.00 0.00 0.00 173.10 172.56 1xkh s ILE 666 N 0.97 3.33 0.34 0.90 2.07 -0.91 -4.62 121.20 123.28 1xkh s ILE 666 Ca 0.06 -1.64 -0.25 0.00 -1.41 0.00 0.00 60.65 57.41 1xkh s ILE 666 Cb -0.20 -2.67 -0.10 0.00 0.13 0.00 0.00 42.46 39.63 1xkh s ILE 666 CO -0.07 -0.14 0.96 -0.54 -1.91 0.00 0.00 174.94 173.24 1xkh s LYS 667 N -2.94 4.50 0.12 3.50 1.02 -1.26 -0.76 119.74 123.91 1xkh s LYS 667 Ca 0.26 1.34 0.06 0.00 0.02 0.00 0.00 55.97 57.65 1xkh s LYS 667 Cb -0.09 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1xkh s LYS 667 CO 0.16 0.20 -0.14 0.00 -0.92 0.00 0.00 175.35 174.65 1xkh s ALA 668 N -1.67 1.47 -0.03 5.17 0.00 -0.62 -0.89 121.76 125.19 1xkh s ALA 668 Ca 0.52 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1xkh s ALA 668 Cb -0.18 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1xkh s ALA 668 CO 0.23 0.11 -0.08 0.21 0.00 0.00 0.00 175.76 176.23 1xkh s LYS 669 N -2.60 0.92 -0.14 0.00 2.20 0.16 0.11 119.74 120.40 1xkh s LYS 669 Ca 0.08 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1xkh s LYS 669 Cb -0.05 -0.87 0.04 0.00 -1.51 0.00 0.00 37.83 35.44 1xkh s LYS 669 CO 0.03 0.08 -0.04 0.99 -0.36 0.00 0.00 175.35 176.05 1xkh s THR 670 N 0.31 0.90 -0.01 3.43 2.01 0.39 -1.36 115.64 121.31 1xkh s THR 670 Ca -0.05 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1xkh s THR 670 Cb -0.09 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1xkh s THR 670 CO 0.01 0.18 -0.10 -1.59 -0.69 0.00 0.00 174.62 172.42 1xkh s LYS 671 N 1.73 0.86 -0.09 4.92 -2.85 -0.83 0.52 119.74 124.01 1xkh s LYS 671 Ca 0.02 -0.36 -0.32 0.00 -1.00 0.00 0.00 55.97 54.31 1xkh s LYS 671 Cb -0.14 -0.83 0.14 0.00 -2.06 0.00 0.00 37.83 34.94 1xkh s LYS 671 CO -0.07 0.20 1.42 0.20 0.10 0.00 0.00 175.35 177.20 1xkh s GLY 672 N -0.17 -0.46 0.28 0.59 0.00 0.67 -2.72 107.32 105.51 1xkh s GLY 672 Ca 0.03 0.85 0.11 0.00 0.00 0.00 0.00 44.72 45.71 1xkh s GLY 672 CO -0.00 0.90 -0.14 -2.52 0.00 0.00 0.00 173.10 171.34 1xkh s TYR 673 N -2.06 2.42 -0.09 1.90 -0.85 -0.73 -0.43 117.35 117.52 1xkh s TYR 673 Ca 0.17 -0.30 -0.14 0.00 -0.52 0.00 0.00 57.07 56.28 1xkh s TYR 673 Cb 0.07 -1.06 0.03 0.00 0.38 0.00 0.00 41.96 41.38 1xkh s TYR 673 CO -0.06 0.69 0.35 -2.00 -1.52 0.00 0.00 175.55 173.01 1xkh s GLU 674 N -3.56 0.54 -0.10 -3.49 2.12 -0.74 -1.31 118.70 112.15 1xkh s GLU 674 Ca 0.30 0.22 -0.09 0.00 0.36 0.00 0.00 54.97 55.77 1xkh s GLU 674 Cb -0.05 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.62 1xkh s GLU 674 CO 0.17 -0.11 0.27 0.00 -0.54 0.00 0.00 175.26 175.04 1xkh s ALA 675 N -0.45 -0.66 -0.28 6.30 0.00 -0.05 -1.17 121.76 125.45 1xkh s ALA 675 Ca -0.06 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 1xkh s ALA 675 Cb -0.04 -0.48 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1xkh s ALA 675 CO 0.02 -0.14 0.85 -1.83 0.00 0.00 0.00 175.76 174.66 1xkh s GLU 676 N 0.32 0.69 0.29 0.00 -1.05 -0.86 0.35 118.70 118.44 1xkh s GLU 676 Ca -0.01 0.85 0.07 0.00 -0.15 0.00 0.00 54.97 55.73 1xkh s GLU 676 Cb -0.03 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.94 1xkh s GLU 676 CO -0.01 -0.09 0.21 -1.50 0.95 0.00 0.00 175.26 174.82 1xkh s ILE 677 N 0.44 3.94 -0.30 1.83 2.07 -0.27 -3.15 121.20 125.76 1xkh s ILE 677 Ca 0.00 -1.46 -0.14 0.00 -1.41 0.00 0.00 60.65 57.65 1xkh s ILE 677 Cb -0.05 -3.25 0.16 0.00 0.13 0.00 0.00 42.46 39.46 1xkh s ILE 677 CO -0.04 -0.28 0.94 -0.94 -1.91 0.00 0.00 174.94 172.72 1xkh s SER 678 N -3.88 -0.66 0.00 4.50 1.04 -0.46 -1.95 113.70 112.29 1xkh s SER 678 Ca 0.36 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1xkh s SER 678 Cb -0.07 1.73 0.00 0.00 0.10 0.00 0.00 66.02 67.78 1xkh s SER 678 CO 0.25 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1xkh n GLY 679 N 5.07 0.17 3.56 7.32 0.00 -0.70 -1.63 105.19 118.98 1xkh n GLY 679 Ca -0.09 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 1xkh n GLY 679 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xkh s GLU 680 N -2.00 2.86 0.49 1.61 2.12 0.15 -2.88 118.70 121.05 1xkh s GLU 680 Ca 0.00 -0.42 0.28 0.00 0.36 0.00 0.00 54.97 55.19 1xkh s GLU 680 Cb 0.00 -5.04 1.14 0.00 0.26 0.00 0.00 34.13 30.49 1xkh s GLU 680 CO 0.00 -2.96 1.91 1.25 -0.54 0.00 0.00 175.26 174.92 1xkh h LEU 681 N 16.20 0.00 0.00 2.70 5.85 -0.51 -3.42 115.31 136.14 1xkh h LEU 681 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1xkh h LEU 681 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1xkh h LEU 681 CO 1.27 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 179.50 1xkh n ALA 682 N -2.18 0.00 -0.09 1.25 0.00 -1.20 -4.96 120.51 113.34 1xkh n ALA 682 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1xkh n ALA 682 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 1xkh n ALA 682 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xkh n PRO 683 N 0.00 0.61 -2.77 0.00 -0.04 -1.26 -4.55 135.00 126.99 1xkh n PRO 683 Ca 0.00 0.48 -0.03 0.00 -0.04 0.00 0.00 63.50 63.91 1xkh n PRO 683 Cb 0.00 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 31.79 1xkh n PRO 683 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xkh n GLY 684 N 1.54 1.95 3.29 0.55 0.00 -1.26 -5.04 105.19 106.22 1xkh n GLY 684 Ca -0.34 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1xkh n GLY 684 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xkh s TRP 685 N -3.68 3.23 -0.11 1.61 -0.00 -1.26 -2.29 118.94 116.44 1xkh s TRP 685 Ca 0.28 -1.31 -0.03 0.00 -0.00 0.00 0.00 56.10 55.05 1xkh s TRP 685 Cb 0.35 -2.28 -0.03 0.00 -0.00 0.00 0.00 33.47 31.51 1xkh s TRP 685 CO -0.02 -0.69 0.01 -0.65 -0.00 0.00 0.00 176.95 175.59 1xkh s GLN 686 N 1.43 3.24 -0.18 5.86 -1.52 0.21 0.26 119.66 128.96 1xkh s GLN 686 Ca -0.01 -0.40 -0.15 0.00 -1.95 0.00 0.00 55.36 52.86 1xkh s GLN 686 Cb -0.19 -2.89 0.05 0.00 -0.22 0.00 0.00 33.01 29.77 1xkh s GLN 686 CO 0.03 0.58 0.47 0.54 -0.25 0.00 0.00 175.29 176.66 1xkh s VAL 687 N -0.54 -0.01 -0.06 1.09 0.11 -1.14 -0.42 120.40 119.43 1xkh s VAL 687 Ca 0.09 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1xkh s VAL 687 Cb -0.12 -0.67 0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1xkh s VAL 687 CO 0.02 0.01 0.12 -1.58 -3.33 0.00 0.00 175.10 170.34 1xkh s GLN 688 N 0.63 0.03 0.12 1.54 0.74 -0.26 -1.71 119.66 120.74 1xkh s GLN 688 Ca -0.03 0.42 -0.19 0.00 0.05 0.00 0.00 55.36 55.61 1xkh s GLN 688 Cb -0.05 -0.27 0.05 0.00 1.10 0.00 0.00 33.01 33.84 1xkh s GLN 688 CO -0.04 -0.24 0.47 0.00 -0.55 0.00 0.00 175.29 174.93 1xkh s ALA 689 N 1.72 -1.17 0.05 1.58 0.00 -0.82 -0.93 121.76 122.19 1xkh s ALA 689 Ca -0.03 0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 1xkh s ALA 689 Cb -0.12 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.73 1xkh s ALA 689 CO -0.05 -0.64 0.56 0.20 0.00 0.00 0.00 175.76 175.83 1xkh s GLY 690 N -2.62 -0.49 -0.00 0.00 0.00 0.38 -1.11 107.32 103.49 1xkh s GLY 690 Ca 0.01 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.45 1xkh s GLY 690 CO -0.10 0.37 -0.13 -0.47 0.00 0.00 0.00 173.10 172.77 1xkh s TYR 691 N -2.52 1.17 -0.08 1.90 6.14 0.15 0.14 117.35 124.26 1xkh s TYR 691 Ca -0.05 -0.24 -0.03 0.00 0.64 0.00 0.00 57.07 57.39 1xkh s TYR 691 Cb -0.01 -0.75 0.04 0.00 0.42 0.00 0.00 41.96 41.67 1xkh s TYR 691 CO -0.02 -0.01 0.16 0.99 0.64 0.00 0.00 175.55 177.31 1xkh s THR 692 N -0.40 -0.12 -0.30 4.34 2.01 -0.45 -0.87 115.64 119.84 1xkh s THR 692 Ca 0.04 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 1xkh s THR 692 Cb -0.05 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1xkh s THR 692 CO -0.00 0.10 0.09 -2.28 -0.69 0.00 0.00 174.62 171.83 1xkh s HIS 693 N 1.55 3.16 0.08 4.92 5.04 -0.43 -1.72 115.29 127.89 1xkh s HIS 693 Ca -0.05 -0.98 0.08 0.00 -1.54 0.00 0.00 55.06 52.57 1xkh s HIS 693 Cb -0.12 -2.27 -0.03 0.00 0.04 0.00 0.00 32.58 30.21 1xkh s HIS 693 CO -0.06 -0.58 -0.20 0.21 -2.34 0.00 0.00 174.74 171.77 1xkh s LYS 694 N 1.50 1.18 -0.15 2.88 2.36 0.40 -1.77 119.74 126.14 1xkh s LYS 694 Ca 0.02 -1.06 -0.11 0.00 -2.55 0.00 0.00 55.97 52.28 1xkh s LYS 694 Cb -0.17 -1.37 0.04 0.00 -1.05 0.00 0.00 37.83 35.28 1xkh s LYS 694 CO 0.03 0.33 0.38 0.42 1.55 0.00 0.00 175.35 178.05 1xkh s ILE 695 N -1.04 -0.01 -0.09 5.43 -1.09 -1.10 -4.32 121.20 118.98 1xkh s ILE 695 Ca 0.06 0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1xkh s ILE 695 Cb -0.09 -0.54 0.04 0.00 -1.58 0.00 0.00 42.46 40.29 1xkh s ILE 695 CO 0.03 0.02 0.19 -0.51 -1.23 0.00 0.00 174.94 173.44 1xkh s ILE 696 N 0.70 -0.12 0.14 2.92 2.07 -1.26 -1.96 121.20 123.69 1xkh s ILE 696 Ca -0.04 0.21 -0.03 0.00 -1.41 0.00 0.00 60.65 59.39 1xkh s ILE 696 Cb -0.05 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1xkh s ILE 696 CO -0.05 0.09 0.10 0.00 -1.91 0.00 0.00 174.94 173.17 1xkh s ARG 697 N 1.51 0.97 -0.17 3.50 1.70 -0.46 -1.80 118.95 124.20 1xkh s ARG 697 Ca -0.06 -1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 53.78 1xkh s ARG 697 Cb -0.11 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1xkh s ARG 697 CO -0.07 -0.29 -0.04 0.16 -1.08 0.00 0.00 175.30 173.98 1xkh s ASP 698 N -3.03 4.65 0.00 -2.89 -4.77 -1.17 0.39 116.67 109.84 1xkh s ASP 698 Ca 0.23 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 1xkh s ASP 698 Cb 0.07 -1.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.13 1xkh s ASP 698 CO 0.01 0.11 0.00 -0.67 0.70 0.00 0.00 175.17 175.33 1xkh n ASP 699 N 3.90 0.00 -3.44 2.11 2.03 -0.07 0.37 116.55 121.45 1xkh n ASP 699 Ca -0.17 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.93 1xkh n ASP 699 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 1xkh n ASP 699 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xkh n SER 700 N 0.70 -1.71 0.00 1.67 7.64 -1.26 -4.83 113.62 115.83 1xkh n SER 700 Ca 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1xkh n SER 700 Cb 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.67 1xkh n SER 700 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkh n GLY 701 N -0.81 4.00 3.97 0.23 0.00 1.16 -5.14 105.19 108.58 1xkh n GLY 701 Ca 0.04 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 1xkh n GLY 701 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xkh s LYS 702 N 2.62 1.32 -0.37 1.61 -2.85 -1.26 -4.64 119.74 116.17 1xkh s LYS 702 Ca 0.00 -0.83 -0.22 0.00 -1.00 0.00 0.00 55.97 53.92 1xkh s LYS 702 Cb 0.00 -2.15 0.01 0.00 -2.06 0.00 0.00 37.83 33.63 1xkh s LYS 702 CO 0.00 -1.79 0.74 0.15 0.10 0.00 0.00 175.35 174.55 1xkh s LYS 703 N -5.42 3.70 0.35 1.78 1.02 -1.26 -3.06 119.74 116.85 1xkh s LYS 703 Ca 0.69 0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.90 1xkh s LYS 703 Cb -0.05 -3.82 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1xkh s LYS 703 CO 0.47 -0.84 0.52 0.54 -0.92 0.00 0.00 175.35 175.12 1xkh s VAL 704 N 3.00 4.62 -1.54 3.17 0.11 -0.75 -4.32 120.40 124.70 1xkh s VAL 704 Ca 0.29 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 1xkh s VAL 704 Cb -0.13 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1xkh s VAL 704 CO 0.17 -0.36 0.00 -1.20 -3.33 0.00 0.00 175.10 170.37 1xkh n SER 705 N -1.75 -5.05 0.04 3.54 7.64 -1.26 -4.62 113.62 112.15 1xkh n SER 705 Ca -0.03 0.07 0.01 0.00 1.01 0.00 0.00 58.87 59.93 1xkh n SER 705 Cb 0.57 -4.13 0.08 0.00 -1.01 0.00 0.00 64.21 59.72 1xkh n SER 705 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xkh n THR 706 N -3.73 1.07 0.02 0.44 -2.24 -1.26 -0.61 114.28 107.97 1xkh n THR 706 Ca -0.20 0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1xkh n THR 706 Cb 0.64 -1.55 -0.14 0.00 -2.10 0.00 0.00 70.33 67.18 1xkh n THR 706 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1xkh h TRP 707 N 0.00 0.20 -2.13 4.78 2.91 -1.87 -2.58 115.95 117.26 1xkh h TRP 707 Ca 0.00 -0.15 -0.52 0.00 1.13 0.00 0.00 58.89 59.35 1xkh h TRP 707 Cb 0.45 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.03 1xkh h TRP 707 CO 0.00 1.21 1.18 -2.00 -1.03 0.00 0.00 178.44 177.80 1xkh s GLU 708 N -2.62 2.96 0.13 2.65 2.12 0.22 -4.74 118.70 119.42 1xkh s GLU 708 Ca -0.07 0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.09 1xkh s GLU 708 Cb 0.08 -4.32 -0.14 0.00 0.26 0.00 0.00 34.13 30.01 1xkh s GLU 708 CO 0.83 -2.42 0.50 -2.30 -0.54 0.00 0.00 175.26 171.33 1xkh n PRO 709 N 9.28 0.00 0.28 4.30 -0.02 -1.26 -4.82 135.00 142.75 1xkh n PRO 709 Ca 0.12 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.76 1xkh n PRO 709 Cb 0.50 -0.87 0.72 0.00 -0.02 0.00 0.00 33.50 33.83 1xkh n PRO 709 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1xkh h GLN 710 N 1.10 0.00 -3.50 -0.52 4.20 -1.79 -3.43 115.11 111.17 1xkh h GLN 710 Ca -0.26 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.23 1xkh h GLN 710 Cb 1.14 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.64 1xkh h GLN 710 CO 0.46 0.04 -0.63 -0.51 -0.67 0.00 0.00 178.83 177.52 1xkh s ASP 711 N -5.73 -0.08 -0.10 1.46 1.01 -1.25 0.15 116.67 112.14 1xkh s ASP 711 Ca 0.00 0.17 -0.07 0.00 0.71 0.00 0.00 52.55 53.37 1xkh s ASP 711 Cb 0.10 0.15 0.03 0.00 1.01 0.00 0.00 42.92 44.22 1xkh s ASP 711 CO 0.54 -0.05 0.24 0.00 0.21 0.00 0.00 175.17 176.11 1xkh s GLN 712 N 0.22 0.23 -0.20 8.23 -2.07 -0.70 -2.39 119.66 122.99 1xkh s GLN 712 Ca -0.02 0.43 -0.01 0.00 -1.82 0.00 0.00 55.36 53.94 1xkh s GLN 712 Cb -0.02 -0.00 0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1xkh s GLN 712 CO -0.01 -0.10 -0.13 -1.17 -1.32 0.00 0.00 175.29 172.56 1xkh s LEU 713 N 0.72 2.51 -0.09 2.60 2.96 0.12 -1.34 118.68 126.16 1xkh s LEU 713 Ca -0.05 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1xkh s LEU 713 Cb -0.06 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 1xkh s LEU 713 CO -0.04 -0.02 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.30 1xkh s SER 714 N 1.37 2.99 -0.17 3.68 0.01 0.38 -0.13 113.70 121.81 1xkh s SER 714 Ca 0.05 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 1xkh s SER 714 Cb -0.14 -1.23 0.08 0.00 0.21 0.00 0.00 66.02 64.95 1xkh s SER 714 CO -0.09 0.17 0.33 -0.22 0.41 0.00 0.00 173.24 173.84 1xkh s LEU 715 N 0.24 -0.45 -0.03 2.44 2.96 -0.40 0.14 118.68 123.58 1xkh s LEU 715 Ca -0.15 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1xkh s LEU 715 Cb -0.17 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.47 1xkh s LEU 715 CO 0.07 -0.25 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.42 1xkh s TYR 716 N 2.49 1.27 -0.09 5.38 2.02 -0.11 0.43 117.35 128.75 1xkh s TYR 716 Ca 0.02 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 1xkh s TYR 716 Cb -0.13 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1xkh s TYR 716 CO -0.11 -0.13 0.49 -0.08 -1.57 0.00 0.00 175.55 174.15 1xkh s THR 717 N 0.13 0.02 0.03 -0.71 -1.32 0.65 -1.11 115.64 113.33 1xkh s THR 717 Ca -0.03 -0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 1xkh s THR 717 Cb -0.10 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 1xkh s THR 717 CO 0.01 -0.09 -0.07 -0.94 -2.21 0.00 0.00 174.62 171.32 1xkh s SER 718 N -0.68 0.82 -0.04 8.08 1.04 0.44 -0.73 113.70 122.64 1xkh s SER 718 Ca -0.08 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1xkh s SER 718 Cb -0.03 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1xkh s SER 718 CO 0.05 -0.12 -0.04 -0.47 0.98 0.00 0.00 173.24 173.64 1xkh s TYR 719 N -1.00 0.68 0.13 5.02 5.04 0.17 -0.62 117.35 126.77 1xkh s TYR 719 Ca -0.06 -0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.33 1xkh s TYR 719 Cb -0.08 -0.60 -0.06 0.00 0.35 0.00 0.00 41.96 41.58 1xkh s TYR 719 CO 0.00 -0.16 0.39 0.21 -1.34 0.00 0.00 175.55 174.66 1xkh s LYS 720 N 0.78 3.67 0.44 4.97 2.20 -0.97 -0.80 119.74 130.05 1xkh s LYS 720 Ca -0.10 0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 1xkh s LYS 720 Cb -0.13 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.27 1xkh s LYS 720 CO 0.00 0.49 0.72 -0.06 -0.36 0.00 0.00 175.35 176.14 1xkh s PHE 721 N -1.58 3.55 0.14 4.03 0.08 -0.69 -4.83 117.98 118.68 1xkh s PHE 721 Ca 0.39 0.68 -0.09 0.00 0.12 0.00 0.00 56.93 58.03 1xkh s PHE 721 Cb -0.13 -2.19 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 1xkh s PHE 721 CO 0.22 -0.16 0.45 0.15 -0.10 0.00 0.00 175.22 175.77 1xkh s LYS 722 N -4.62 3.76 0.00 0.44 1.02 -1.26 -3.94 119.74 115.13 1xkh s LYS 722 Ca 0.45 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.61 1xkh s LYS 722 Cb -0.10 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1xkh s LYS 722 CO 0.42 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 1xkh n GLY 723 N 0.43 0.15 0.00 -3.33 0.00 -1.26 -3.03 105.19 98.15 1xkh n GLY 723 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1xkh n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh n ALA 724 N 1.51 0.00 -2.87 4.61 0.00 -1.26 0.03 120.51 122.54 1xkh n ALA 724 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1xkh n ALA 724 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1xkh n ALA 724 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1xkh n LEU 725 N -1.49 1.20 0.00 0.00 -0.00 -1.17 -4.91 117.00 110.63 1xkh n LEU 725 Ca 0.00 -4.22 0.00 0.00 -0.00 0.00 0.00 56.01 51.79 1xkh n LEU 725 Cb 0.00 0.54 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1xkh n LEU 725 CO 0.00 1.84 0.14 -0.90 -0.00 0.00 0.00 177.39 178.48 1xkh n ASP 726 N 0.07 0.00 -1.63 1.45 5.75 0.10 -1.08 116.55 121.21 1xkh n ASP 726 Ca 0.15 -0.52 0.09 0.00 -0.01 0.00 0.00 54.79 54.50 1xkh n ASP 726 Cb 0.76 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 41.21 1xkh n ASP 726 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xkh n LYS 727 N -0.52 3.92 -3.97 0.11 5.02 -1.26 -4.77 118.16 116.69 1xkh n LYS 727 Ca 0.00 -2.94 -0.16 0.00 -2.02 0.00 0.00 58.31 53.19 1xkh n LYS 727 Cb 0.00 -1.95 -0.15 0.00 -0.02 0.00 0.00 35.03 32.90 1xkh n LYS 727 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xkh s LEU 728 N -2.00 1.46 -0.00 -0.35 2.96 -0.24 -1.81 118.68 118.70 1xkh s LEU 728 Ca 0.52 -0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1xkh s LEU 728 Cb 0.34 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.82 1xkh s LEU 728 CO 0.23 -0.05 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.10 1xkh s THR 729 N 0.64 1.73 0.02 3.68 2.01 -0.62 -1.70 115.64 121.41 1xkh s THR 729 Ca -0.06 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1xkh s THR 729 Cb -0.09 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1xkh s THR 729 CO -0.01 0.43 -0.12 0.68 -0.69 0.00 0.00 174.62 174.91 1xkh s VAL 730 N -0.57 0.94 0.30 3.82 -7.23 0.02 -1.49 120.40 116.18 1xkh s VAL 730 Ca 0.08 -0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 1xkh s VAL 730 Cb -0.09 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.04 1xkh s VAL 730 CO -0.00 0.06 0.66 -0.83 -0.31 0.00 0.00 175.10 174.68 1xkh s GLY 731 N -0.81 0.26 0.00 2.32 0.00 -1.26 0.45 107.32 108.28 1xkh s GLY 731 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1xkh s GLY 731 CO 0.00 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1xkh n GLY 732 N -0.46 -0.84 2.64 0.20 0.00 0.10 -4.53 105.19 102.29 1xkh n GLY 732 Ca -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 1xkh n GLY 732 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkh n GLY 733 N -0.09 1.07 3.61 -0.02 0.00 -0.00 -0.26 105.19 109.50 1xkh n GLY 733 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1xkh n GLY 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 734 N -1.73 -1.81 0.10 4.61 0.00 0.17 -2.00 121.76 121.09 1xkh s ALA 734 Ca 0.13 1.85 0.09 0.00 0.00 0.00 0.00 51.96 54.03 1xkh s ALA 734 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1xkh s ALA 734 CO 0.06 -0.33 -0.23 0.50 0.00 0.00 0.00 175.76 175.76 1xkh s ARG 735 N -0.02 1.33 -0.05 0.00 6.06 0.96 -1.28 118.95 125.94 1xkh s ARG 735 Ca -0.02 -1.18 -0.03 0.00 -2.50 0.00 0.00 55.73 52.01 1xkh s ARG 735 Cb -0.04 -1.63 0.03 0.00 0.06 0.00 0.00 34.95 33.37 1xkh s ARG 735 CO 0.02 0.39 0.12 -0.46 -2.50 0.00 0.00 175.30 172.87 1xkh s TRP 736 N -1.03 -0.12 -0.02 5.12 -0.11 0.81 0.45 118.94 124.04 1xkh s TRP 736 Ca 0.10 0.38 0.00 0.00 1.22 0.00 0.00 56.10 57.80 1xkh s TRP 736 Cb -0.10 -0.08 0.02 0.00 -1.50 0.00 0.00 33.47 31.82 1xkh s TRP 736 CO 0.04 -0.13 0.01 1.14 -4.62 0.00 0.00 176.95 173.39 1xkh s GLN 737 N 0.90 0.15 0.47 5.86 -2.07 -0.97 0.11 119.66 124.11 1xkh s GLN 737 Ca -0.07 0.09 -0.21 0.00 -1.82 0.00 0.00 55.36 53.35 1xkh s GLN 737 Cb -0.09 -0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 31.41 1xkh s GLN 737 CO -0.04 -0.12 1.03 0.20 -1.32 0.00 0.00 175.29 175.04 1xkh s GLY 738 N 0.85 2.54 0.00 2.60 0.00 -1.00 -2.96 107.32 109.34 1xkh s GLY 738 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1xkh s GLY 738 CO -0.02 0.94 0.00 1.17 0.00 0.00 0.00 173.10 175.19 1xkh n LYS 739 N -0.79 0.00 -4.91 2.90 4.81 -1.03 -4.50 118.16 114.64 1xkh n LYS 739 Ca 0.08 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.25 1xkh n LYS 739 Cb 0.52 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.41 1xkh n LYS 739 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1xkh s SER 740 N 0.00 2.34 0.07 3.14 0.01 -1.04 -4.65 113.70 113.57 1xkh s SER 740 Ca 0.00 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 1xkh s SER 740 Cb 0.00 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 1xkh s SER 740 CO 0.00 0.16 -0.03 -1.66 0.41 0.00 0.00 173.24 172.12 1xkh s TRP 741 N 0.06 0.64 0.00 2.43 -2.14 -0.97 0.31 118.94 119.27 1xkh s TRP 741 Ca -0.05 -1.06 0.00 0.00 2.66 0.00 0.00 56.10 57.65 1xkh s TRP 741 Cb -0.13 -0.43 0.00 0.00 -3.10 0.00 0.00 33.47 29.81 1xkh s TRP 741 CO 0.03 -0.35 0.00 1.04 -2.66 0.00 0.00 176.95 175.01 1xkh n GLN 742 N 0.05 0.00 0.00 3.25 1.13 0.11 -3.25 117.38 118.68 1xkh n GLN 742 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1xkh n GLN 742 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.96 1xkh n GLN 742 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1xkh n VAL 744 N 0.00 0.00 -3.57 5.09 0.24 -1.06 -2.13 118.33 116.90 1xkh n VAL 744 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 1xkh n VAL 744 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1xkh n VAL 744 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1xkh s TYR 745 N -2.34 -1.10 -1.32 6.34 5.04 -1.26 -4.09 117.35 118.61 1xkh s TYR 745 Ca 0.00 1.79 -0.10 0.00 -2.44 0.00 0.00 57.07 56.31 1xkh s TYR 745 Cb 0.00 0.50 0.14 0.00 0.35 0.00 0.00 41.96 42.94 1xkh s TYR 745 CO 0.00 -0.62 1.96 -1.71 -1.34 0.00 0.00 175.55 173.84 1xkh n ASN 746 N 5.42 4.79 -0.23 4.32 5.15 -1.15 -4.87 115.26 128.68 1xkh n ASN 746 Ca -0.09 -3.05 -0.06 0.00 -0.60 0.00 0.00 54.58 50.79 1xkh n ASN 746 Cb 0.49 -1.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.17 1xkh n ASN 746 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1xkh n ASN 747 N 4.41 -0.58 0.28 1.20 2.85 -1.26 0.93 115.26 123.09 1xkh n ASN 747 Ca 0.43 1.01 0.04 0.00 -0.11 0.00 0.00 54.58 55.95 1xkh n ASN 747 Cb 0.37 -0.14 0.23 0.00 1.24 0.00 0.00 39.78 41.48 1xkh n ASN 747 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1xkh h PRO 748 N 0.00 0.00 0.00 1.20 0.11 -1.89 0.13 132.00 131.55 1xkh h PRO 748 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xkh h PRO 748 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1xkh h PRO 748 CO -0.52 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.81 1xkh n ARG 749 N -2.39 0.02 0.00 1.05 5.12 0.14 -4.98 116.66 115.61 1xkh n ARG 749 Ca -0.01 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1xkh n ARG 749 Cb 0.73 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 1xkh n ARG 749 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xkh n SER 750 N -0.01 0.00 -4.70 0.55 2.88 0.27 -4.89 113.62 107.71 1xkh n SER 750 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1xkh n SER 750 Cb 0.33 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1xkh n SER 750 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xkh s ARG 751 N 0.00 4.25 0.44 -1.46 1.70 -1.25 -4.61 118.95 118.01 1xkh s ARG 751 Ca 0.00 2.22 -0.23 0.00 -0.47 0.00 0.00 55.73 57.25 1xkh s ARG 751 Cb 0.00 -3.37 -0.08 0.00 -0.57 0.00 0.00 34.95 30.93 1xkh s ARG 751 CO 0.00 -0.59 1.14 -1.58 -1.08 0.00 0.00 175.30 173.18 1xkh s TRP 752 N 1.74 2.98 0.10 5.89 0.52 -1.26 -2.93 118.94 125.99 1xkh s TRP 752 Ca 0.69 1.56 0.06 0.00 0.02 0.00 0.00 56.10 58.43 1xkh s TRP 752 Cb -0.39 -3.32 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 1xkh s TRP 752 CO 0.31 -1.28 -0.14 -1.21 0.02 0.00 0.00 176.95 174.65 1xkh s GLU 753 N -2.64 0.95 0.05 4.98 2.02 -1.26 -4.91 118.70 117.90 1xkh s GLU 753 Ca 0.62 -1.13 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 1xkh s GLU 753 Cb -0.27 -0.90 -0.04 0.00 0.10 0.00 0.00 34.13 33.02 1xkh s GLU 753 CO 0.33 0.19 0.20 0.21 0.02 0.00 0.00 175.26 176.20 1xkh s LYS 754 N -2.27 3.39 -0.04 1.61 2.20 -1.26 -2.56 119.74 120.81 1xkh s LYS 754 Ca 0.05 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1xkh s LYS 754 Cb -0.07 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1xkh s LYS 754 CO 0.03 0.61 0.08 -0.06 -0.36 0.00 0.00 175.35 175.65 1xkh s PHE 755 N -1.48 -0.03 0.01 4.03 0.08 -0.91 -4.98 117.98 114.70 1xkh s PHE 755 Ca 0.34 0.29 0.06 0.00 0.12 0.00 0.00 56.93 57.74 1xkh s PHE 755 Cb -0.13 -0.27 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1xkh s PHE 755 CO 0.27 -0.15 -0.17 -1.54 -0.10 0.00 0.00 175.22 173.52 1xkh s SER 756 N 1.52 2.05 -0.79 1.36 1.04 -1.25 0.09 113.70 117.72 1xkh s SER 756 Ca -0.04 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1xkh s SER 756 Cb -0.12 -0.20 0.21 0.00 0.10 0.00 0.00 66.02 66.01 1xkh s SER 756 CO -0.04 0.17 0.70 -1.58 0.98 0.00 0.00 173.24 173.47 1xkh s GLN 757 N -0.71 3.36 0.00 4.02 2.00 0.91 -4.91 119.66 124.33 1xkh s GLN 757 Ca 0.06 -2.56 0.00 0.00 -2.00 0.00 0.00 55.36 50.86 1xkh s GLN 757 Cb -0.07 -4.24 0.00 0.00 0.80 0.00 0.00 33.01 29.50 1xkh s GLN 757 CO 0.00 -1.26 0.00 -0.85 -0.50 0.00 0.00 175.29 172.69 1xkh n GLU 758 N 3.71 0.00 -4.53 1.67 0.00 -1.26 -2.50 120.64 117.73 1xkh n GLU 758 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 57.03 1xkh n GLU 758 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.77 1xkh n GLU 758 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1xkh s ASP 759 N -0.18 3.73 -0.17 -1.84 1.01 -1.26 -2.47 116.67 115.48 1xkh s ASP 759 Ca 0.00 -1.17 -0.03 0.00 0.71 0.00 0.00 52.55 52.06 1xkh s ASP 759 Cb 0.00 -0.35 0.05 0.00 1.01 0.00 0.00 42.92 43.64 1xkh s ASP 759 CO 0.00 -0.17 0.04 -0.31 0.21 0.00 0.00 175.17 174.93 1xkh s TYR 760 N -2.60 0.86 -0.31 4.23 1.51 -1.16 -4.99 117.35 114.90 1xkh s TYR 760 Ca 0.32 -0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 1xkh s TYR 760 Cb 0.02 -0.95 0.10 0.00 -0.11 0.00 0.00 41.96 41.02 1xkh s TYR 760 CO 0.16 -0.55 0.12 -1.58 -1.11 0.00 0.00 175.55 172.60 1xkh s TRP 761 N 1.91 1.01 -0.14 2.71 0.23 -1.25 -2.29 118.94 121.12 1xkh s TRP 761 Ca 0.00 -1.35 -0.03 0.00 -2.03 0.00 0.00 56.10 52.69 1xkh s TRP 761 Cb -0.16 -1.30 -0.03 0.00 0.03 0.00 0.00 33.47 32.01 1xkh s TRP 761 CO -0.08 -0.85 -0.03 -0.51 0.96 0.00 0.00 176.95 176.44 1xkh s LEU 762 N 1.78 3.32 0.08 2.99 1.02 0.17 -4.95 118.68 123.09 1xkh s LEU 762 Ca 0.10 -0.07 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1xkh s LEU 762 Cb -0.17 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 1xkh s LEU 762 CO -0.29 0.22 -0.18 0.54 0.02 0.00 0.00 176.35 176.66 1xkh s VAL 763 N 0.08 1.46 -0.15 -1.59 0.11 -1.26 -0.03 120.40 119.02 1xkh s VAL 763 Ca 0.00 -1.37 -0.10 0.00 -2.93 0.00 0.00 61.98 57.59 1xkh s VAL 763 Cb -0.13 -1.34 0.05 0.00 -1.53 0.00 0.00 36.38 33.43 1xkh s VAL 763 CO 0.03 -0.07 0.37 1.51 -3.33 0.00 0.00 175.10 173.61 1xkh s ASP 764 N -1.67 -0.44 0.41 3.54 1.47 -0.85 -1.36 116.67 117.77 1xkh s ASP 764 Ca 0.03 0.79 0.05 0.00 1.18 0.00 0.00 52.55 54.61 1xkh s ASP 764 Cb -0.10 0.71 0.05 0.00 -0.34 0.00 0.00 42.92 43.25 1xkh s ASP 764 CO 0.03 -0.17 0.44 0.18 0.68 0.00 0.00 175.17 176.33 1xkh n LEU 765 N 3.88 0.00 0.00 2.11 4.77 -0.85 -0.82 117.00 126.09 1xkh n LEU 765 Ca -0.21 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1xkh n LEU 765 Cb 0.55 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xkh n LEU 765 CO 0.11 -0.58 0.00 0.00 -1.33 0.00 0.00 177.39 175.59 1xkh n ALA 767 N -2.33 0.00 -3.57 -1.18 0.00 -0.31 -1.68 120.51 111.44 1xkh n ALA 767 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1xkh n ALA 767 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 1xkh n ALA 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xkh s ARG 768 N -1.79 0.30 -0.16 0.00 3.52 -0.56 0.29 118.95 120.56 1xkh s ARG 768 Ca 0.00 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1xkh s ARG 768 Cb 0.00 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.39 1xkh s ARG 768 CO 0.00 -0.13 -0.20 -0.47 -0.81 0.00 0.00 175.30 173.69 1xkh s TYR 769 N 1.00 2.65 -1.01 5.12 5.04 0.72 -1.58 117.35 129.28 1xkh s TYR 769 Ca -0.07 -1.46 -0.20 0.00 -2.44 0.00 0.00 57.07 52.91 1xkh s TYR 769 Cb -0.08 -1.83 0.10 0.00 0.35 0.00 0.00 41.96 40.51 1xkh s TYR 769 CO -0.07 -0.70 1.31 -1.14 -1.34 0.00 0.00 175.55 173.61 1xkh s GLN 770 N 1.08 3.67 0.30 4.97 2.00 -0.75 -1.57 119.66 129.37 1xkh s GLN 770 Ca -0.01 -1.62 0.11 0.00 -2.00 0.00 0.00 55.36 51.84 1xkh s GLN 770 Cb -0.14 -5.13 0.48 0.00 0.80 0.00 0.00 33.01 29.01 1xkh s GLN 770 CO -0.08 -1.96 1.68 -0.84 -0.50 0.00 0.00 175.29 173.60 1xkh h ILE 771 N 6.05 1.38 -3.95 -2.34 3.07 -1.83 -3.44 117.51 116.45 1xkh h ILE 771 Ca 0.21 -1.83 -0.26 0.00 1.55 0.00 0.00 64.86 64.53 1xkh h ILE 771 Cb 1.00 1.98 -0.22 0.00 -0.27 0.00 0.00 36.82 39.30 1xkh h ILE 771 CO 1.26 0.52 -0.73 0.42 -1.05 0.00 0.00 178.15 178.57 1xkh s THR 772 N -3.82 0.42 0.50 0.16 -4.23 -1.21 -5.00 115.64 102.47 1xkh s THR 772 Ca -0.02 -0.89 0.41 0.00 -1.18 0.00 0.00 61.69 60.01 1xkh s THR 772 Cb 0.13 -0.48 0.62 0.00 1.34 0.00 0.00 72.50 74.11 1xkh s THR 772 CO 0.75 -0.33 1.57 0.47 -0.54 0.00 0.00 174.62 176.55 1xkh n ASP 773 N 1.74 0.11 -3.62 3.99 8.00 -1.26 -2.79 116.55 122.72 1xkh n ASP 773 Ca -0.21 1.21 -0.29 0.00 0.71 0.00 0.00 54.79 56.20 1xkh n ASP 773 Cb 0.55 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 1xkh n ASP 773 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xkh s LYS 774 N -5.07 0.90 0.00 -1.24 1.02 -1.26 -5.00 119.74 109.09 1xkh s LYS 774 Ca -0.06 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.35 1xkh s LYS 774 Cb 0.29 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 1xkh s LYS 774 CO 0.86 -1.14 0.00 -0.11 -0.92 0.00 0.00 175.35 174.04 1xkh n LEU 775 N 3.98 0.00 -4.95 3.17 7.94 -1.12 -4.67 117.00 121.35 1xkh n LEU 775 Ca 0.07 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.75 1xkh n LEU 775 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1xkh n LEU 775 CO 0.18 0.00 0.22 -0.44 -1.11 0.00 0.00 177.39 176.24 1xkh s SER 776 N 0.00 5.99 -0.17 1.96 0.01 -1.26 -3.29 113.70 116.94 1xkh s SER 776 Ca 0.00 0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 1xkh s SER 776 Cb 0.00 -1.64 0.08 0.00 0.21 0.00 0.00 66.02 64.67 1xkh s SER 776 CO 0.00 -0.55 0.27 0.00 0.41 0.00 0.00 173.24 173.38 1xkh s ALA 777 N -2.44 -0.57 0.18 1.44 0.00 -0.61 -0.06 121.76 119.71 1xkh s ALA 777 Ca 0.45 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 1xkh s ALA 777 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1xkh s ALA 777 CO 0.36 -0.90 0.15 -1.54 0.00 0.00 0.00 175.76 173.83 1xkh s SER 778 N 2.42 0.16 -0.25 0.00 1.04 -1.00 0.26 113.70 116.32 1xkh s SER 778 Ca 0.04 -1.26 -0.13 0.00 0.48 0.00 0.00 55.95 55.08 1xkh s SER 778 Cb -0.14 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.44 1xkh s SER 778 CO -0.11 -0.84 0.60 0.54 0.98 0.00 0.00 173.24 174.41 1xkh s VAL 779 N -4.10 -0.10 -0.06 5.02 0.11 0.15 -0.98 120.40 120.43 1xkh s VAL 779 Ca 0.32 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1xkh s VAL 779 Cb 0.06 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1xkh s VAL 779 CO 0.08 0.01 -0.18 0.20 -3.33 0.00 0.00 175.10 171.88 1xkh s ASN 780 N 1.70 3.65 -0.32 3.54 -0.87 -1.26 -1.16 114.94 120.22 1xkh s ASN 780 Ca -0.09 -0.33 0.03 0.00 -1.57 0.00 0.00 52.86 50.89 1xkh s ASN 780 Cb -0.07 -0.90 0.09 0.00 -0.02 0.00 0.00 41.25 40.36 1xkh s ASN 780 CO -0.18 0.29 0.03 0.54 -2.57 0.00 0.00 177.10 175.21 1xkh s VAL 781 N -0.39 2.01 0.27 1.60 0.11 -0.68 -4.24 120.40 119.08 1xkh s VAL 781 Ca 0.04 -2.05 0.14 0.00 -2.93 0.00 0.00 61.98 57.18 1xkh s VAL 781 Cb -0.12 -2.43 0.07 0.00 -1.53 0.00 0.00 36.38 32.36 1xkh s VAL 781 CO 0.02 -0.52 1.73 0.78 -3.33 0.00 0.00 175.10 173.78 1xkh h ASN 782 N 7.72 0.00 -2.09 3.54 -0.26 -1.70 -2.27 115.58 120.52 1xkh h ASN 782 Ca -0.08 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.09 1xkh h ASN 782 Cb 1.02 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.88 1xkh h ASN 782 CO 0.50 0.46 -0.88 -3.20 -1.06 0.00 0.00 177.43 173.25 1xkh n ASN 783 N -3.79 1.90 0.00 5.81 4.05 -1.26 -4.10 115.26 117.88 1xkh n ASN 783 Ca -0.01 -3.07 0.00 0.00 0.45 0.00 0.00 54.58 51.95 1xkh n ASN 783 Cb 0.51 -0.65 0.00 0.00 1.23 0.00 0.00 39.78 40.87 1xkh n ASN 783 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1xkh n VAL 784 N 1.02 0.00 1.51 3.44 0.31 -0.46 0.67 118.33 124.82 1xkh n VAL 784 Ca 0.25 0.35 0.10 0.00 -0.01 0.00 0.00 64.34 65.03 1xkh n VAL 784 Cb 0.48 -0.47 0.57 0.00 -0.91 0.00 0.00 33.84 33.51 1xkh n VAL 784 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1xkh n PHE 785 N -1.98 0.00 -3.46 3.52 3.72 -1.26 -4.91 117.46 113.09 1xkh n PHE 785 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1xkh n PHE 785 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1xkh n PHE 785 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xkh n ASP 786 N -0.89 -6.13 -4.57 4.37 2.03 0.21 -4.84 116.55 106.74 1xkh n ASP 786 Ca 0.14 -0.75 -0.42 0.00 0.52 0.00 0.00 54.79 54.28 1xkh n ASP 786 Cb 0.07 -4.09 -0.03 0.00 -0.72 0.00 0.00 41.12 36.35 1xkh n ASP 786 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xkh s LYS 787 N -4.90 3.37 -0.39 -0.67 2.47 -1.26 -4.85 119.74 113.51 1xkh s LYS 787 Ca 0.34 0.03 -0.27 0.00 -1.56 0.00 0.00 55.97 54.51 1xkh s LYS 787 Cb -0.09 -4.09 -0.06 0.00 -1.46 0.00 0.00 37.83 32.13 1xkh s LYS 787 CO 0.81 -1.88 2.33 -0.08 0.16 0.00 0.00 175.35 176.69 1xkh s THR 788 N 5.27 3.02 0.30 3.43 -1.32 -1.26 -4.88 115.64 120.18 1xkh s THR 788 Ca 0.39 0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.92 1xkh s THR 788 Cb -0.08 -3.03 -0.03 0.00 -1.51 0.00 0.00 72.50 67.85 1xkh s THR 788 CO 0.21 -0.03 0.19 -0.72 -2.21 0.00 0.00 174.62 172.06 1xkh s TYR 789 N 10.67 1.58 -0.04 9.09 -0.85 -1.26 -5.05 117.35 131.49 1xkh s TYR 789 Ca 0.98 -1.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.07 1xkh s TYR 789 Cb -0.23 -0.77 -0.03 0.00 0.38 0.00 0.00 41.96 41.31 1xkh s TYR 789 CO 0.29 -0.65 -0.02 0.71 -1.52 0.00 0.00 175.55 174.36 1xkh s TYR 790 N -3.64 3.04 -0.10 -3.49 2.02 -1.26 -2.50 117.35 111.42 1xkh s TYR 790 Ca 0.37 0.08 0.18 0.00 -0.37 0.00 0.00 57.07 57.33 1xkh s TYR 790 Cb 0.04 -1.70 -0.26 0.00 -0.40 0.00 0.00 41.96 39.64 1xkh s TYR 790 CO 0.20 0.42 0.24 -2.37 -1.57 0.00 0.00 175.55 172.47 1xkh n THR 791 N 1.82 0.62 -3.71 -0.71 5.66 -0.48 -4.90 114.28 112.57 1xkh n THR 791 Ca -0.17 -0.60 -0.14 0.00 -3.05 0.00 0.00 64.05 60.09 1xkh n THR 791 Cb 0.53 -0.24 -0.08 0.00 -1.55 0.00 0.00 70.33 68.99 1xkh n THR 791 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xkh s ASN 792 N -4.72 -0.31 0.00 1.09 4.22 -1.24 -3.60 114.94 110.38 1xkh s ASN 792 Ca -0.08 0.30 0.00 0.00 -2.14 0.00 0.00 52.86 50.94 1xkh s ASN 792 Cb 0.09 0.43 0.00 0.00 1.28 0.00 0.00 41.25 43.04 1xkh s ASN 792 CO 0.77 -0.43 0.00 -0.38 -2.04 0.00 0.00 177.10 175.01 1xkh n ILE 793 N 1.43 0.00 -1.83 0.54 5.41 -1.26 -2.82 119.36 120.82 1xkh n ILE 793 Ca -0.20 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.26 1xkh n ILE 793 Cb 0.56 -0.04 0.04 0.00 -0.71 0.00 0.00 39.64 39.49 1xkh n ILE 793 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xkh n GLY 794 N 0.67 6.16 3.45 7.39 0.00 -1.26 -4.01 105.19 117.59 1xkh n GLY 794 Ca 0.00 -2.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.04 1xkh n GLY 794 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xkh s PHE 795 N -3.69 3.24 -0.86 1.61 5.36 -1.26 -4.37 117.98 118.00 1xkh s PHE 795 Ca 0.55 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1xkh s PHE 795 Cb 0.44 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1xkh s PHE 795 CO -0.02 -0.60 0.00 0.66 -1.46 0.00 0.00 175.22 173.80 1xkh n TYR 796 N 5.15 -0.76 -2.06 10.12 4.01 -1.26 -1.11 117.16 131.26 1xkh n TYR 796 Ca -0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.60 1xkh n TYR 796 Cb 0.47 -2.02 0.01 0.00 -0.31 0.00 0.00 39.34 37.49 1xkh n TYR 796 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1xkh n THR 797 N -1.79 -3.89 -3.54 -0.72 -1.04 -1.26 -4.91 114.28 97.13 1xkh n THR 797 Ca -0.09 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1xkh n THR 797 Cb 0.32 -4.39 0.00 0.00 -1.82 0.00 0.00 70.33 64.44 1xkh n THR 797 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1xkh n SER 798 N -1.71 0.00 -3.59 8.00 3.41 -0.26 -3.25 113.62 116.21 1xkh n SER 798 Ca -0.01 -0.70 -0.08 0.00 -0.26 0.00 0.00 58.87 57.82 1xkh n SER 798 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1xkh n SER 798 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xkh s ALA 799 N -1.84 -1.98 -0.01 7.33 0.00 -1.15 -4.17 121.76 119.94 1xkh s ALA 799 Ca 0.00 1.64 0.01 0.00 0.00 0.00 0.00 51.96 53.60 1xkh s ALA 799 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1xkh s ALA 799 CO 0.00 -0.33 -0.02 -1.12 0.00 0.00 0.00 175.76 174.29 1xkh s SER 800 N -1.24 0.36 1.02 0.00 0.01 -1.13 0.20 113.70 112.91 1xkh s SER 800 Ca 0.02 -0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 1xkh s SER 800 Cb -0.01 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.19 1xkh s SER 800 CO -0.02 -0.00 0.28 -1.22 0.41 0.00 0.00 173.24 172.69 1xkh n TYR 801 N 3.33 -3.78 -4.57 2.43 4.01 -1.26 -1.38 117.16 115.94 1xkh n TYR 801 Ca -0.17 -0.25 -0.31 0.00 -0.16 0.00 0.00 57.90 57.02 1xkh n TYR 801 Cb 0.56 -0.24 -0.17 0.00 -0.31 0.00 0.00 39.34 39.19 1xkh n TYR 801 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1xkh s GLY 802 N -3.45 1.21 -0.19 2.72 0.00 -1.04 -4.23 107.32 102.34 1xkh s GLY 802 Ca 0.17 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 43.90 1xkh s GLY 802 CO 0.12 0.09 0.52 1.22 0.00 0.00 0.00 173.10 175.05 1xkh n ASP 803 N 4.13 0.06 -4.77 1.64 8.00 -1.26 -4.72 116.55 119.63 1xkh n ASP 803 Ca -0.19 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 54.95 1xkh n ASP 803 Cb 0.51 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 1xkh n ASP 803 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xkh s PRO 804 N 1.74 4.54 0.00 -0.24 0.04 -1.26 -4.70 135.00 135.13 1xkh s PRO 804 Ca 0.26 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1xkh s PRO 804 Cb -0.25 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1xkh s PRO 804 CO 0.10 0.18 0.00 -2.13 0.04 0.00 0.00 177.00 175.19 1xkh n ARG 805 N 0.81 0.00 -2.74 4.56 0.63 -1.26 -4.91 116.66 113.75 1xkh n ARG 805 Ca 0.01 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 1xkh n ARG 805 Cb 0.47 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.40 1xkh n ARG 805 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1xkh s ASN 806 N 0.00 5.89 0.21 6.15 0.01 -1.26 -4.82 114.94 121.12 1xkh s ASN 806 Ca 0.00 0.59 -0.18 0.00 -0.71 0.00 0.00 52.86 52.55 1xkh s ASN 806 Cb 0.00 -1.79 0.03 0.00 0.41 0.00 0.00 41.25 39.90 1xkh s ASN 806 CO 0.00 -0.76 0.57 -0.76 -1.51 0.00 0.00 177.10 174.64 1xkh s LEU 807 N -4.72 -0.05 0.03 0.60 1.43 -1.26 -2.37 118.68 112.33 1xkh s LEU 807 Ca 0.49 -0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1xkh s LEU 807 Cb -0.10 2.29 0.01 0.00 0.03 0.00 0.00 46.19 48.41 1xkh s LEU 807 CO 0.42 -1.12 0.21 -0.36 0.23 0.00 0.00 176.35 175.73 1xkh s PHE 809 N -3.88 0.01 0.16 0.29 0.40 -0.63 -0.64 117.98 113.68 1xkh s PHE 809 Ca 0.10 -0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.18 1xkh s PHE 809 Cb -0.02 -0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.50 1xkh s PHE 809 CO -0.01 -0.40 0.29 0.45 0.70 0.00 0.00 175.22 176.25 1xkh s SER 810 N -1.85 0.03 -0.08 1.36 0.15 -0.15 -2.25 113.70 110.90 1xkh s SER 810 Ca -0.08 -0.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.68 1xkh s SER 810 Cb -0.03 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1xkh s SER 810 CO -0.02 -0.89 0.21 0.42 1.20 0.00 0.00 173.24 174.16 1xkh s THR 811 N -3.95 -0.01 0.00 6.45 -4.23 -1.26 -2.39 115.64 110.25 1xkh s THR 811 Ca 0.16 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1xkh s THR 811 Cb 0.03 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1xkh s THR 811 CO -0.01 0.02 0.00 -1.14 -0.54 0.00 0.00 174.62 172.95 1xkh n ARG 812 N 3.38 0.68 -1.34 3.99 3.00 0.91 -3.06 116.66 124.22 1xkh n ARG 812 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.39 1xkh n ARG 812 Cb 0.57 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.22 1xkh n ARG 812 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1xkh s TRP 813 N -0.11 1.57 0.00 -0.14 1.48 -1.19 -4.45 118.94 116.09 1xkh s TRP 813 Ca 0.00 0.68 0.00 0.00 -1.06 0.00 0.00 56.10 55.72 1xkh s TRP 813 Cb 0.00 -3.49 0.00 0.00 -1.16 0.00 0.00 33.47 28.82 1xkh s TRP 813 CO 0.00 -3.08 0.00 -3.47 -4.06 0.00 0.00 176.95 166.34 1xkh n ASP 814 N -4.22 0.00 0.00 -2.66 -0.08 -1.26 -3.31 116.55 105.01 1xkh n ASP 814 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1xkh n ASP 814 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1xkh n ASP 814 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65