#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkh h THR 130 N 0.00 1.57 -1.06 0.00 1.35 -2.13 -3.54 112.91 109.10 1xkh h THR 130 Ca 0.00 -1.90 -0.17 0.00 -0.55 0.00 0.00 66.41 63.80 1xkh h THR 130 Cb 0.00 2.83 -0.17 0.00 -1.73 0.00 0.00 68.15 69.08 1xkh h THR 130 CO 0.00 0.48 -0.51 -0.63 -0.25 0.00 0.00 175.52 174.61 1xkh s ILE 132 N -2.84 -0.94 -1.67 6.82 1.01 -1.26 -5.10 121.20 117.23 1xkh s ILE 132 Ca -0.17 -1.06 0.21 0.00 0.00 0.00 0.00 60.65 59.63 1xkh s ILE 132 Cb -0.01 -0.06 -0.06 0.00 0.01 0.00 0.00 42.46 42.34 1xkh s ILE 132 CO 0.65 -0.06 0.99 0.41 0.00 0.00 0.00 174.94 176.93 1xkh n THR 133 N 2.96 0.00 -2.88 2.92 -1.04 -1.26 -4.95 114.28 110.04 1xkh n THR 133 Ca 0.18 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1xkh n THR 133 Cb 0.56 1.18 0.01 0.00 -1.82 0.00 0.00 70.33 70.26 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 -0.40 0.22 0.00 8.00 3.41 -1.26 -3.08 113.62 120.51 1xkh n SER 134 Ca 0.07 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1xkh n SER 134 Cb 0.41 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.94 0.00 0.05 4.04 2.04 -1.26 -4.78 115.26 112.42 1xkh n ASN 135 Ca 0.02 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.03 1xkh n ASN 135 Cb 0.07 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.23 1xkh n ASN 135 CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1xkh h GLN 136 N 0.00 -0.11 0.00 -3.83 -0.00 -2.01 -2.93 115.11 106.23 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 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.50 1xkh h GLN 136 CO 0.00 0.19 -0.17 -0.07 -0.00 0.00 0.00 178.83 178.78 1xkh h LEU 137 N -0.42 0.00 0.00 0.06 3.38 -1.96 -3.43 115.31 112.93 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 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xkh h LEU 137 CO 0.02 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1xkh n GLY 138 N 0.09 3.59 2.82 0.83 0.00 -1.11 -3.36 105.19 108.05 1xkh n GLY 138 Ca 0.00 -1.67 -0.46 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.15 0.34 -1.33 2.61 5.66 -1.26 -4.05 114.28 115.10 1xkh n THR 139 Ca 0.00 -0.09 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 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 -0.17 2.43 -0.10 1.09 1.01 -1.18 -4.58 121.20 119.71 1xkh s ILE 140 Ca 0.69 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.51 1xkh s ILE 140 Cb -0.97 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1xkh s ILE 140 CO 0.46 -0.18 0.12 0.35 0.00 0.00 0.00 174.94 175.68 1xkh n THR 141 N -3.86 0.00 0.00 2.92 -2.24 -1.26 -4.65 114.28 105.19 1xkh n THR 141 Ca 0.06 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xkh n THR 141 Cb 0.57 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.27 0.00 0.00 -0.78 2.13 -1.26 -3.96 120.64 115.50 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 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1xkh n GLU 142 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xkh n ASP 143 N -0.80 0.00 -4.04 4.31 9.92 -1.26 -4.96 116.55 119.72 1xkh n ASP 143 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.04 1xkh n ASP 143 Cb 0.00 0.00 -0.20 0.00 -0.64 0.00 0.00 41.12 40.28 1xkh n ASP 143 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1xkh n SER 144 N 0.00 -1.11 -3.04 -2.24 7.64 -1.25 -4.65 113.62 108.97 1xkh n SER 144 Ca 0.00 -0.40 -0.07 0.00 1.01 0.00 0.00 58.87 59.41 1xkh n SER 144 Cb 0.00 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 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 5.07 2.12 2.93 0.23 0.00 -1.26 -4.63 105.19 109.64 1xkh n GLY 145 Ca 0.61 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 4.42 2.32 0.65 1.61 0.15 -1.26 -4.94 113.70 116.64 1xkh s SER 146 Ca 0.13 -0.36 0.31 0.00 0.70 0.00 0.00 55.95 56.73 1xkh s SER 146 Cb 0.03 -0.92 1.69 0.00 -1.71 0.00 0.00 66.02 65.12 1xkh s SER 146 CO -0.01 -0.11 1.97 1.88 1.20 0.00 0.00 173.24 178.17 1xkh h TYR 147 N 8.15 0.00 -3.75 3.44 0.05 -1.84 -3.42 116.97 119.59 1xkh h TYR 147 Ca -0.31 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.98 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 0.20 -0.08 -1.05 0.00 0.00 178.16 177.70 1xkh s THR 148 N -4.20 4.48 0.82 -2.88 -1.32 -1.26 -4.12 115.64 107.16 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 -3.80 0.09 0.00 -1.51 0.00 0.00 72.50 67.38 1xkh s THR 148 CO 0.34 0.02 1.16 -2.16 -2.21 0.00 0.00 174.62 171.77 1xkh s PRO 149 N -2.40 1.88 -0.07 7.08 0.04 -1.26 -4.96 135.00 135.30 1xkh s PRO 149 Ca 0.50 0.19 -0.10 0.00 0.04 0.00 0.00 61.00 61.63 1xkh s PRO 149 Cb -0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1xkh s PRO 149 CO 0.20 -1.67 -0.19 0.41 0.04 0.00 0.00 177.00 175.79 1xkh n GLY 150 N -3.06 -0.37 3.35 0.56 0.00 -1.26 -4.96 105.19 99.45 1xkh n GLY 150 Ca 0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.30 -0.52 -0.19 2.61 -4.23 -1.26 -4.52 115.64 105.23 1xkh s THR 151 Ca -0.16 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1xkh s THR 151 Cb 0.02 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.14 1xkh s THR 151 CO 0.24 0.05 -0.14 0.27 -0.54 0.00 0.00 174.62 174.49 1xkh s ILE 152 N 2.33 2.55 -2.69 2.99 -4.36 0.51 -4.05 121.20 118.48 1xkh s ILE 152 Ca -0.05 -0.78 0.26 0.00 -0.26 0.00 0.00 60.65 59.83 1xkh s ILE 152 Cb -0.11 -2.11 0.40 0.00 1.25 0.00 0.00 42.46 41.90 1xkh s ILE 152 CO -0.14 0.50 1.55 0.00 0.24 0.00 0.00 174.94 177.09 1xkh n ALA 153 N 4.61 2.54 0.16 2.27 0.00 -1.21 -3.75 120.51 125.12 1xkh n ALA 153 Ca -0.20 -0.54 0.08 0.00 0.00 0.00 0.00 53.44 52.78 1xkh n ALA 153 Cb 0.50 -1.02 0.45 0.00 0.00 0.00 0.00 19.45 19.38 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 0.64 0.81 -0.11 0.00 5.66 -1.26 0.61 114.28 120.62 1xkh n THR 154 Ca 0.17 0.74 -0.22 0.00 -3.05 0.00 0.00 64.05 61.69 1xkh n THR 154 Cb 0.45 -1.74 -0.09 0.00 -1.55 0.00 0.00 70.33 67.40 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 -1.65 0.91 -0.28 1.79 0.00 -1.26 -4.68 120.51 115.34 1xkh n ALA 155 Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 53.44 52.72 1xkh n ALA 155 Cb 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -4.39 1.09 -0.88 0.00 -2.24 -1.15 -4.68 114.28 102.04 1xkh n THR 156 Ca -0.36 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1xkh n THR 156 Cb 0.70 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.63 -1.10 -3.90 -0.78 3.00 0.20 -4.92 116.66 108.52 1xkh n ARG 157 Ca 0.03 0.28 -0.35 0.00 -0.00 0.00 0.00 57.85 57.80 1xkh n ARG 157 Cb 0.34 -4.45 -0.14 0.00 0.00 0.00 0.00 32.46 28.22 1xkh n ARG 157 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1xkh s LEU 158 N 0.00 3.12 0.18 6.15 2.96 -1.25 -4.95 118.68 124.90 1xkh s LEU 158 Ca 0.00 -0.58 -0.33 0.00 -0.22 0.00 0.00 54.13 53.00 1xkh s LEU 158 Cb 0.00 -1.74 -0.15 0.00 0.50 0.00 0.00 46.19 44.80 1xkh s LEU 158 CO 0.00 -0.08 1.23 0.55 -1.32 0.00 0.00 176.35 176.73 1xkh n VAL 159 N 4.77 0.82 -3.52 1.68 3.14 -1.26 -4.39 118.33 119.56 1xkh n VAL 159 Ca -0.17 -0.20 -0.17 0.00 -2.96 0.00 0.00 64.34 60.83 1xkh n VAL 159 Cb 0.49 -0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 32.24 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 -0.63 0.00 6.55 1.43 -1.25 -4.94 118.68 120.39 1xkh s LEU 160 Ca 0.73 0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.37 1xkh s LEU 160 Cb -0.82 2.48 0.18 0.00 0.03 0.00 0.00 46.19 48.07 1xkh s LEU 160 CO 0.51 -0.60 0.75 0.35 0.23 0.00 0.00 176.35 177.59 1xkh n THR 161 N 0.84 0.00 -0.03 5.49 -2.24 -1.26 -0.36 114.28 116.71 1xkh n THR 161 Ca -0.18 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1xkh n THR 161 Cb 0.57 -1.29 -0.09 0.00 -2.10 0.00 0.00 70.33 67.41 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 0.29 -0.98 -0.78 0.11 -1.92 -2.92 132.00 125.80 1xkh h PRO 162 Ca -0.27 -0.22 0.10 0.00 0.11 0.00 0.00 66.00 65.72 1xkh h PRO 162 Cb 0.80 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.88 1xkh h PRO 162 CO 0.18 0.86 0.62 -0.09 -0.21 0.00 0.00 178.00 179.37 1xkh h ARG 163 N -0.23 0.98 0.00 1.05 2.43 -1.95 0.35 114.38 117.01 1xkh h ARG 163 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xkh h ARG 163 Cb 0.91 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xkh h ARG 163 CO 0.05 0.65 0.00 0.39 -1.51 0.00 0.00 179.97 179.55 1xkh n GLU 164 N -4.57 0.45 -3.60 0.20 1.02 -1.20 -4.63 120.64 108.32 1xkh n GLU 164 Ca 0.17 0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.97 1xkh n GLU 164 Cb 0.31 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.39 4.84 -0.90 2.62 2.01 0.12 -4.82 115.64 117.13 1xkh s THR 165 Ca 0.26 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1xkh s THR 165 Cb 0.15 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 69.19 1xkh s THR 165 CO 0.32 -0.01 0.59 -0.81 -0.69 0.00 0.00 174.62 174.03 1xkh n PRO 166 N 5.03 1.18 -4.30 4.92 -0.04 -1.26 -4.83 135.00 135.70 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 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.02 1.19 0.16 0.54 -0.21 -1.26 -4.47 119.66 114.59 1xkh s GLN 167 Ca 0.03 -1.43 -0.30 0.00 0.02 0.00 0.00 55.36 53.67 1xkh s GLN 167 Cb 0.02 -1.03 -0.08 0.00 1.00 0.00 0.00 33.01 32.92 1xkh s GLN 167 CO 0.01 0.18 1.31 0.45 -2.12 0.00 0.00 175.29 175.12 1xkh s SER 168 N -2.92 6.91 0.03 5.90 0.15 -1.26 -5.01 113.70 117.50 1xkh s SER 168 Ca 0.16 2.32 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1xkh s SER 168 Cb -0.02 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1xkh s SER 168 CO 0.05 -0.55 -0.04 -0.63 1.20 0.00 0.00 173.24 173.27 1xkh s ILE 169 N 0.50 0.19 -0.15 6.45 -1.09 -1.26 -2.90 121.20 122.93 1xkh s ILE 169 Ca 0.59 -1.01 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 1xkh s ILE 169 Cb -0.36 -0.41 0.06 0.00 -1.58 0.00 0.00 42.46 40.17 1xkh s ILE 169 CO 0.35 -0.52 0.37 -0.89 -1.23 0.00 0.00 174.94 173.01 1xkh s THR 170 N -1.64 -0.04 -0.00 2.92 2.01 -1.15 -4.99 115.64 112.75 1xkh s THR 170 Ca -0.13 0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1xkh s THR 170 Cb -0.09 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 1xkh s THR 170 CO -0.01 0.04 -0.02 0.54 -0.69 0.00 0.00 174.62 174.48 1xkh s VAL 171 N 1.38 0.18 -0.34 3.82 0.11 -1.26 -2.27 120.40 122.03 1xkh s VAL 171 Ca -0.09 -0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 58.70 1xkh s VAL 171 Cb -0.09 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1xkh s VAL 171 CO -0.12 0.04 0.31 -0.69 -3.33 0.00 0.00 175.10 171.31 1xkh s VAL 172 N -0.08 5.22 1.10 2.04 1.01 -1.04 -4.84 120.40 123.81 1xkh s VAL 172 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1xkh s VAL 172 Cb -0.01 -3.76 0.25 0.00 0.00 0.00 0.00 36.38 32.86 1xkh s VAL 172 CO -0.00 -0.03 1.19 0.28 0.00 0.00 0.00 175.10 176.54 1xkh s THR 173 N 1.89 1.77 -0.05 3.92 -1.32 -1.26 -2.80 115.64 117.80 1xkh s THR 173 Ca 0.09 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.39 1xkh s THR 173 Cb -0.17 -2.69 -0.31 0.00 -1.51 0.00 0.00 72.50 67.82 1xkh s THR 173 CO 0.11 0.00 0.81 -0.09 -2.21 0.00 0.00 174.62 173.24 1xkh h ARG 174 N -2.17 0.35 0.00 7.08 9.65 -1.78 -3.18 114.38 124.32 1xkh h ARG 174 Ca -0.45 -0.59 0.00 0.00 -1.10 0.00 0.00 59.98 57.84 1xkh h ARG 174 Cb 1.27 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1xkh h ARG 174 CO 0.37 1.28 0.00 0.94 2.80 0.00 0.00 179.97 185.37 1xkh n GLN 175 N -3.94 0.12 -0.20 0.20 -0.06 -1.26 -1.36 117.38 110.87 1xkh n GLN 175 Ca -0.18 0.61 0.01 0.00 -2.00 0.00 0.00 57.00 55.44 1xkh n GLN 175 Cb 0.93 -1.87 0.09 0.00 -4.06 0.00 0.00 30.24 25.32 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 -2.12 2.08 0.00 1.69 2.85 -1.20 -2.78 115.26 115.78 1xkh n ASN 176 Ca -0.01 -2.21 0.00 0.00 -0.11 0.00 0.00 54.58 52.25 1xkh n ASN 176 Cb 0.03 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.51 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 0.14 0.00 -0.33 1.20 8.00 -0.47 -2.55 116.55 122.53 1xkh n ASP 178 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.54 1xkh n ASP 178 Cb 0.47 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.40 -0.28 -2.24 3.32 -1.77 -1.17 116.42 112.89 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 0.48 -3.64 4.55 3.01 -1.06 -4.92 117.46 110.43 1xkh n PHE 180 Ca 0.08 -0.21 -0.22 0.00 1.01 0.00 0.00 57.45 58.11 1xkh n PHE 180 Cb 0.38 -0.06 0.04 0.00 -0.01 0.00 0.00 39.48 39.84 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 0.81 -0.45 3.45 1.37 0.00 -0.44 -4.87 105.19 105.05 1xkh n GLY 181 Ca 0.10 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.51 5.13 0.00 0.99 1.43 -1.26 -4.89 118.68 113.57 1xkh s LEU 182 Ca 0.10 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 1xkh s LEU 182 Cb -0.02 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xkh s LEU 182 CO 0.80 -0.94 0.30 0.59 0.23 0.00 0.00 176.35 177.34 1xkh n ASN 183 N 6.13 0.00 -4.90 2.29 3.02 -1.26 -4.83 115.26 115.71 1xkh n ASN 183 Ca 0.27 0.59 -0.29 0.00 -0.03 0.00 0.00 54.58 55.12 1xkh n ASN 183 Cb 0.47 -0.43 0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.48 5.23 0.20 6.41 2.20 -1.26 -4.34 114.94 120.90 1xkh s ASN 184 Ca 0.00 0.91 -0.11 0.00 -0.94 0.00 0.00 52.86 52.73 1xkh s ASN 184 Cb 0.00 -1.68 0.21 0.00 -2.00 0.00 0.00 41.25 37.78 1xkh s ASN 184 CO 0.00 -1.42 1.79 -0.29 -2.94 0.00 0.00 177.10 174.24 1xkh h ILE 185 N -0.63 0.94 -0.85 0.54 -0.00 -1.33 -1.33 117.51 114.85 1xkh h ILE 185 Ca -0.45 -0.20 0.15 0.00 -0.00 0.00 0.00 64.86 64.35 1xkh h ILE 185 Cb 1.27 0.31 -0.15 0.00 -0.00 0.00 0.00 36.82 38.25 1xkh h ILE 185 CO 0.63 0.11 -0.33 0.44 -0.00 0.00 0.00 178.15 179.00 1xkh h ASP 186 N 0.58 -1.19 0.00 2.19 3.32 -1.87 2.51 116.42 121.96 1xkh h ASP 186 Ca 0.27 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1xkh h ASP 186 Cb 0.19 0.65 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1xkh h ASP 186 CO -0.19 -0.29 0.00 0.47 -1.72 0.00 0.00 179.24 177.51 1xkh n ASP 187 N -5.49 0.00 -0.82 6.45 8.00 -0.50 -0.84 116.55 123.35 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 0.40 0.00 0.20 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 -0.62 2.33 0.00 2.53 0.31 0.84 -4.29 118.33 119.43 1xkh n VAL 188 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 64.34 61.70 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 -1.06 0.00 0.00 5.55 1.74 -0.02 0.89 116.66 123.75 1xkh n ARG 190 Ca 0.25 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.47 1xkh n ARG 190 Cb 0.87 0.00 0.48 0.00 -1.02 0.00 0.00 32.46 32.80 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 -2.78 -1.55 8.25 -1.26 -4.87 115.22 113.01 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 31.04 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 -2.03 4.25 -0.02 1.59 2.01 0.26 -5.02 115.64 116.67 1xkh s THR 192 Ca 0.36 1.71 -0.18 0.00 0.31 0.00 0.00 61.69 63.90 1xkh s THR 192 Cb 0.21 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1xkh s THR 192 CO 0.34 0.01 0.50 -2.16 -0.69 0.00 0.00 174.62 172.62 1xkh s PRO 193 N -2.39 4.18 0.00 4.92 0.04 -1.26 -4.03 135.00 136.46 1xkh s PRO 193 Ca 0.54 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.14 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 0.21 0.46 0.00 0.41 0.04 0.00 0.00 177.00 178.12 1xkh n GLY 194 N 2.33 1.10 3.72 0.56 0.00 -1.26 -5.01 105.19 106.63 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 -2.28 4.21 -0.12 -0.61 1.01 -1.26 -4.45 121.20 117.70 1xkh s ILE 195 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1xkh s ILE 195 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1xkh s ILE 195 CO 0.00 0.15 -0.23 -0.89 0.00 0.00 0.00 174.94 173.97 1xkh s THR 196 N -1.31 2.07 -0.46 2.92 2.01 -0.86 -4.91 115.64 115.09 1xkh s THR 196 Ca 0.26 -0.99 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1xkh s THR 196 Cb -0.12 -1.81 0.04 0.00 0.01 0.00 0.00 72.50 70.62 1xkh s THR 196 CO 0.19 0.55 0.57 -0.69 -0.69 0.00 0.00 174.62 174.56 1xkh s VAL 197 N 0.61 4.93 0.23 3.82 1.01 -1.26 -1.04 120.40 128.70 1xkh s VAL 197 Ca -0.12 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1xkh s VAL 197 Cb -0.17 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1xkh s VAL 197 CO 0.03 -0.64 0.06 -0.55 0.00 0.00 0.00 175.10 174.00 1xkh s SER 198 N 2.27 4.94 0.24 3.32 0.15 -0.68 -4.96 113.70 118.98 1xkh s SER 198 Ca 0.16 -0.44 0.11 0.00 0.70 0.00 0.00 55.95 56.48 1xkh s SER 198 Cb -0.17 -1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 63.01 1xkh s SER 198 CO 0.14 0.01 -0.20 0.00 1.20 0.00 0.00 173.24 174.40 1xkh s ALA 199 N -2.09 2.55 -0.01 5.45 0.00 -1.24 0.50 121.76 126.91 1xkh s ALA 199 Ca 0.31 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1xkh s ALA 199 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1xkh s ALA 199 CO 0.21 0.27 -0.04 0.66 0.00 0.00 0.00 175.76 176.87 1xkh n TYR 200 N -0.36 0.00 -3.83 0.00 4.01 0.29 -4.65 117.16 112.62 1xkh n TYR 200 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 1xkh n TYR 200 Cb 0.59 -0.05 -0.07 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 -4.84 0.06 0.04 7.72 -4.77 -0.94 0.23 116.67 114.17 1xkh s ASP 201 Ca -0.03 -0.53 -0.01 0.00 -3.30 0.00 0.00 52.55 48.69 1xkh s ASP 201 Cb 0.00 0.34 0.07 0.00 -1.09 0.00 0.00 42.92 42.24 1xkh s ASP 201 CO 0.04 -0.69 0.20 0.35 0.70 0.00 0.00 175.17 175.77 1xkh n THR 202 N 0.15 -0.05 -0.62 2.11 -2.24 -1.26 0.28 114.28 112.64 1xkh n THR 202 Ca -0.16 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.99 1xkh n THR 202 Cb 0.61 -0.40 0.33 0.00 -2.10 0.00 0.00 70.33 68.77 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 -4.11 4.49 -3.67 3.42 9.92 -1.26 -4.88 116.55 120.46 1xkh n ASP 203 Ca 0.02 -2.47 -0.21 0.00 -0.53 0.00 0.00 54.79 51.61 1xkh n ASP 203 Cb 0.07 -0.54 -0.18 0.00 -0.64 0.00 0.00 41.12 39.84 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 -1.87 -0.05 0.22 -1.24 0.52 0.78 -4.96 118.95 112.35 1xkh s ARG 204 Ca 0.47 0.33 0.09 0.00 -0.52 0.00 0.00 55.73 56.11 1xkh s ARG 204 Cb 0.31 -0.64 -0.05 0.00 0.52 0.00 0.00 34.95 35.09 1xkh s ARG 204 CO 0.22 -0.36 -0.17 -0.80 0.02 0.00 0.00 175.30 174.21 1xkh s ASN 205 N 2.16 2.96 0.11 0.23 0.02 -1.26 -0.55 114.94 118.61 1xkh s ASN 205 Ca 0.05 -0.99 0.08 0.00 -1.02 0.00 0.00 52.86 50.99 1xkh s ASN 205 Cb -0.12 -0.20 -0.04 0.00 0.02 0.00 0.00 41.25 40.91 1xkh s ASN 205 CO -0.04 -0.06 -0.21 0.54 0.02 0.00 0.00 177.10 177.35 1xkh s ASN 206 N -3.22 2.59 -0.21 -1.22 2.20 0.18 -4.90 114.94 110.36 1xkh s ASN 206 Ca 0.23 -0.70 -0.05 0.00 -0.94 0.00 0.00 52.86 51.40 1xkh s ASN 206 Cb -0.03 -0.14 -0.02 0.00 -2.00 0.00 0.00 41.25 39.05 1xkh s ASN 206 CO 0.10 0.06 -0.00 -0.31 -2.94 0.00 0.00 177.10 174.00 1xkh s TYR 207 N -1.22 3.02 -0.24 1.54 2.02 -1.26 -1.69 117.35 119.52 1xkh s TYR 207 Ca 0.07 -0.60 -0.18 0.00 -0.37 0.00 0.00 57.07 55.99 1xkh s TYR 207 Cb -0.10 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 1xkh s TYR 207 CO 0.05 -0.36 0.53 0.71 -1.57 0.00 0.00 175.55 174.90 1xkh s TYR 208 N 1.26 3.30 -0.25 2.71 2.02 -0.20 0.48 117.35 126.67 1xkh s TYR 208 Ca 0.04 0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 57.43 1xkh s TYR 208 Cb -0.15 -2.71 0.07 0.00 -0.40 0.00 0.00 41.96 38.77 1xkh s TYR 208 CO 0.01 -0.23 0.01 0.00 -1.57 0.00 0.00 175.55 173.77 1xkh s ALA 209 N 2.10 1.66 -1.05 3.71 0.00 0.14 -2.04 121.76 126.29 1xkh s ALA 209 Ca 0.23 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1xkh s ALA 209 Cb -0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 1xkh s ALA 209 CO 0.09 -1.33 0.80 0.54 0.00 0.00 0.00 175.76 175.86 1xkh n ARG 210 N 4.79 -1.45 0.00 0.00 1.74 -1.26 -2.14 116.66 118.34 1xkh n ARG 210 Ca -0.08 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1xkh n ARG 210 Cb 0.44 -4.51 0.00 0.00 -1.02 0.00 0.00 32.46 27.38 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 -1.60 2.15 3.80 -0.13 0.00 -1.26 -4.83 105.19 103.31 1xkh n GLY 211 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.48 2.28 -0.21 1.61 0.08 -0.91 -4.78 117.98 114.57 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 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1xkh s PHE 212 CO 0.00 -0.01 0.11 -1.12 -0.10 0.00 0.00 175.22 174.10 1xkh s SER 213 N -4.02 5.84 0.11 1.36 0.01 -1.26 0.27 113.70 116.01 1xkh s SER 213 Ca 0.36 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 57.39 1xkh s SER 213 Cb 0.01 -2.03 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 1xkh s SER 213 CO 0.20 0.11 1.42 -0.63 0.41 0.00 0.00 173.24 174.75 1xkh s ILE 214 N 0.76 3.25 -0.31 1.44 1.01 0.18 -4.79 121.20 122.73 1xkh s ILE 214 Ca 0.06 0.88 0.17 0.00 0.00 0.00 0.00 60.65 61.76 1xkh s ILE 214 Cb -0.13 -3.56 0.45 0.00 0.01 0.00 0.00 42.46 39.23 1xkh s ILE 214 CO 0.02 0.06 1.33 -3.20 0.00 0.00 0.00 174.94 173.15 1xkh n ASN 215 N 4.10 -0.13 -3.57 3.58 2.85 -1.26 -4.53 115.26 116.30 1xkh n ASN 215 Ca 0.12 -2.18 -0.24 0.00 -0.11 0.00 0.00 54.58 52.18 1xkh n ASN 215 Cb 0.42 0.18 -0.16 0.00 1.24 0.00 0.00 39.78 41.46 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 2.11 -0.09 1.20 0.01 -1.26 -4.69 114.94 109.91 1xkh s ASN 216 Ca 0.18 -0.54 -0.01 0.00 -0.71 0.00 0.00 52.86 51.78 1xkh s ASN 216 Cb 0.40 -0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.97 1xkh s ASN 216 CO -0.08 -0.35 -0.03 -0.36 -1.51 0.00 0.00 177.10 174.77 1xkh s PHE 217 N 2.20 3.06 -0.25 2.20 0.40 -1.26 -1.40 117.98 122.93 1xkh s PHE 217 Ca 0.04 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1xkh s PHE 217 Cb -0.16 -1.80 0.06 0.00 0.51 0.00 0.00 43.02 41.64 1xkh s PHE 217 CO -0.12 0.33 -0.06 -1.14 0.70 0.00 0.00 175.22 174.93 1xkh s GLN 218 N -0.61 1.71 -0.27 0.44 0.74 -0.68 -2.17 119.66 118.82 1xkh s GLN 218 Ca 0.10 -1.10 -0.17 0.00 0.05 0.00 0.00 55.36 54.24 1xkh s GLN 218 Cb -0.12 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.31 1xkh s GLN 218 CO 0.02 -0.62 0.49 0.71 -0.55 0.00 0.00 175.29 175.34 1xkh s TYR 219 N 1.32 3.25 -1.61 1.67 1.51 0.53 -2.10 117.35 121.92 1xkh s TYR 219 Ca -0.05 0.55 -0.15 0.00 -1.01 0.00 0.00 57.07 56.41 1xkh s TYR 219 Cb -0.19 -2.71 0.11 0.00 -0.11 0.00 0.00 41.96 39.07 1xkh s TYR 219 CO -0.06 -0.29 0.81 -0.25 -1.11 0.00 0.00 175.55 174.65 1xkh n ASP 220 N 5.52 -3.45 0.00 2.29 8.00 -0.97 0.44 116.55 128.38 1xkh n ASP 220 Ca -0.05 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1xkh n ASP 220 Cb 0.50 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 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 -1.56 1.42 3.74 0.44 0.00 -1.26 -5.03 105.19 102.94 1xkh n GLY 221 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.25 5.42 1.12 -0.61 -1.09 0.17 -4.97 121.20 117.99 1xkh s ILE 222 Ca 0.00 0.19 -0.18 0.00 -2.23 0.00 0.00 60.65 58.43 1xkh s ILE 222 Cb 0.00 -3.47 0.26 0.00 -1.58 0.00 0.00 42.46 37.67 1xkh s ILE 222 CO 0.00 0.45 1.19 -2.16 -1.23 0.00 0.00 174.94 173.19 1xkh s PRO 223 N 0.28 -0.61 0.03 2.79 0.04 -1.26 0.20 135.00 136.46 1xkh s PRO 223 Ca 0.08 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 60.93 1xkh s PRO 223 Cb -0.11 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1xkh s PRO 223 CO -0.02 -3.28 -0.05 -1.54 0.04 0.00 0.00 177.00 172.15 1xkh s SER 224 N -4.25 0.49 -0.32 6.66 1.04 -0.92 -4.70 113.70 111.69 1xkh s SER 224 Ca 0.72 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 56.68 1xkh s SER 224 Cb -0.07 0.08 0.57 0.00 0.10 0.00 0.00 66.02 66.70 1xkh s SER 224 CO 0.55 -0.29 1.60 0.35 0.98 0.00 0.00 173.24 176.43 1xkh n THR 225 N 1.43 2.71 -0.48 2.02 -2.24 -1.26 -4.45 114.28 112.00 1xkh n THR 225 Ca -0.23 -2.34 -0.15 0.00 -2.27 0.00 0.00 64.05 59.06 1xkh n THR 225 Cb 0.55 -0.35 0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.95 4.59 -0.37 6.98 0.00 -1.26 -4.70 120.51 124.79 1xkh n ALA 226 Ca 0.39 -1.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.07 1xkh n ALA 226 Cb 1.20 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.25 -0.25 -2.38 0.00 3.00 -1.26 -4.54 116.66 110.98 1xkh n ARG 227 Ca 0.34 1.46 -0.43 0.00 -0.00 0.00 0.00 57.85 59.23 1xkh n ARG 227 Cb 0.98 -2.17 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 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 -5.36 6.93 0.00 6.15 3.84 -1.26 -4.92 114.94 120.31 1xkh s ASN 228 Ca -0.13 1.78 0.25 0.00 0.21 0.00 0.00 52.86 54.97 1xkh s ASN 228 Cb 0.18 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.92 1xkh s ASN 228 CO 0.67 -0.75 1.46 1.33 -2.79 0.00 0.00 177.10 177.02 1xkh n VAL 229 N 5.25 0.00 0.04 -5.21 0.24 -1.26 -3.60 118.33 113.79 1xkh n VAL 229 Ca 0.14 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.44 1xkh n VAL 229 Cb 0.45 0.22 0.37 0.00 -1.47 0.00 0.00 33.84 33.41 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 4.99 0.48 -5.63 7.63 0.00 -1.97 -1.72 103.07 106.84 1xkh h GLY 230 Ca 0.00 -0.24 -0.59 0.00 0.00 0.00 0.00 47.33 46.49 1xkh h GLY 230 CO 0.00 0.23 -0.63 -1.72 0.00 0.00 0.00 176.54 174.42 1xkh n TYR 231 N -4.35 3.86 -2.38 5.60 4.02 -1.24 -5.08 117.16 117.59 1xkh n TYR 231 Ca 0.01 -4.05 -0.36 0.00 -0.01 0.00 0.00 57.90 53.49 1xkh n TYR 231 Cb 0.19 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.09 6.25 -0.30 7.72 1.04 -0.65 -4.87 113.70 119.79 1xkh s SER 232 Ca 0.46 2.15 -0.08 0.00 0.48 0.00 0.00 55.95 58.96 1xkh s SER 232 Cb 0.23 -2.59 0.16 0.00 0.10 0.00 0.00 66.02 63.93 1xkh s SER 232 CO -0.09 -0.85 0.73 0.00 0.98 0.00 0.00 173.24 174.00 1xkh s ALA 233 N -1.69 -2.37 0.00 5.32 0.00 -1.26 -4.85 121.76 116.90 1xkh s ALA 233 Ca 0.65 2.03 0.00 0.00 0.00 0.00 0.00 51.96 54.64 1xkh s ALA 233 Cb -0.24 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1xkh s ALA 233 CO 0.29 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1xkh n GLY 234 N 5.37 1.78 0.30 0.00 0.00 -1.26 -4.85 105.19 106.52 1xkh n GLY 234 Ca -0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.01 0.00 1.61 2.35 -1.95 -2.55 115.58 114.02 1xkh h ASN 235 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1xkh h ASN 235 Cb 0.00 0.38 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1xkh h ASN 235 CO 0.00 -0.34 0.00 1.07 -1.65 0.00 0.00 177.43 176.51 1xkh n THR 236 N -4.33 0.00 -3.15 2.81 5.66 -1.26 -4.24 114.28 109.77 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 0.25 -0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.01 -0.96 -0.15 1.09 2.34 -0.96 -4.48 118.68 114.55 1xkh s LEU 237 Ca 0.00 0.44 -0.02 0.00 0.06 0.00 0.00 54.13 54.60 1xkh s LEU 237 Cb 0.00 1.74 0.05 0.00 -0.56 0.00 0.00 46.19 47.42 1xkh s LEU 237 CO 0.00 -0.18 0.02 -0.44 -1.06 0.00 0.00 176.35 174.70 1xkh s SER 238 N 2.90 2.46 0.29 1.48 0.01 -1.26 -4.82 113.70 114.76 1xkh s SER 238 Ca 0.12 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1xkh s SER 238 Cb -0.11 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1xkh s SER 238 CO -0.18 -0.27 0.00 -0.67 0.41 0.00 0.00 173.24 172.53 1xkh n ASP 239 N 5.08 -0.59 0.00 2.44 -0.08 -1.26 -0.85 116.55 121.29 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 -2.83 0.00 0.00 -1.67 0.00 -1.26 -4.78 120.51 109.97 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 -2.41 0.00 -3.75 0.00 -5.35 -1.26 -4.85 119.36 101.75 1xkh n ILE 242 Ca 0.00 -0.06 -0.24 0.00 -0.27 0.00 0.00 62.75 62.18 1xkh n ILE 242 Cb 0.00 0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 -0.18 3.47 -0.34 4.28 2.02 -1.26 -0.62 117.35 124.72 1xkh s TYR 243 Ca 0.00 0.17 0.23 0.00 -0.37 0.00 0.00 57.07 57.09 1xkh s TYR 243 Cb 0.00 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1xkh s TYR 243 CO 0.00 0.35 0.93 -3.47 -1.57 0.00 0.00 175.55 171.78 1xkh n ASP 244 N -1.27 0.58 -3.63 2.29 2.03 0.51 -4.68 116.55 112.37 1xkh n ASP 244 Ca -0.07 0.06 -0.03 0.00 0.52 0.00 0.00 54.79 55.27 1xkh n ASP 244 Cb 0.56 0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 41.83 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 -3.33 0.14 -0.24 -0.67 1.70 -1.24 -3.28 118.95 112.03 1xkh s ARG 245 Ca -0.00 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 1xkh s ARG 245 Cb 0.12 0.06 0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1xkh s ARG 245 CO 0.82 -0.06 -0.09 0.54 -1.08 0.00 0.00 175.30 175.43 1xkh s VAL 246 N -1.82 1.82 -0.37 4.99 0.11 -1.12 -1.79 120.40 122.22 1xkh s VAL 246 Ca 0.10 -1.33 -0.14 0.00 -2.93 0.00 0.00 61.98 57.68 1xkh s VAL 246 Cb -0.01 -1.97 -0.00 0.00 -1.53 0.00 0.00 36.38 32.87 1xkh s VAL 246 CO -0.04 0.00 0.27 -1.83 -3.33 0.00 0.00 175.10 170.17 1xkh s GLU 247 N 1.28 3.29 -0.26 1.54 -1.05 0.21 -2.51 118.70 121.20 1xkh s GLU 247 Ca -0.06 -0.78 -0.14 0.00 -0.15 0.00 0.00 54.97 53.84 1xkh s GLU 247 Cb -0.19 -3.88 -0.04 0.00 -0.44 0.00 0.00 34.13 29.58 1xkh s GLU 247 CO -0.06 -0.57 0.31 0.54 0.95 0.00 0.00 175.26 176.42 1xkh s VAL 248 N 1.73 5.23 -0.66 1.83 0.11 -0.96 -1.59 120.40 126.09 1xkh s VAL 248 Ca 0.06 0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 1xkh s VAL 248 Cb -0.18 -3.64 0.15 0.00 -1.53 0.00 0.00 36.38 31.18 1xkh s VAL 248 CO 0.10 0.22 0.66 -0.22 -3.33 0.00 0.00 175.10 172.54 1xkh s LEU 249 N 1.73 6.14 0.38 2.54 2.96 -0.47 -2.91 118.68 129.05 1xkh s LEU 249 Ca 0.13 -2.02 -0.25 0.00 -0.22 0.00 0.00 54.13 51.78 1xkh s LEU 249 Cb -0.15 -2.24 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1xkh s LEU 249 CO 0.09 -0.83 1.02 -0.54 -1.32 0.00 0.00 176.35 174.77 1xkh s LYS 250 N 1.43 4.30 0.00 1.98 1.02 -1.14 -1.74 119.74 125.58 1xkh s LYS 250 Ca 0.11 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.56 1xkh s LYS 250 Cb -0.21 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1xkh s LYS 250 CO -0.01 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 1xkh n GLY 251 N 0.37 0.99 2.55 -3.33 0.00 0.29 -4.01 105.19 102.06 1xkh n GLY 251 Ca 0.04 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.99 0.84 -0.26 4.61 0.00 -1.26 -3.01 121.76 120.69 1xkh s ALA 252 Ca 0.00 -1.38 0.28 0.00 0.00 0.00 0.00 51.96 50.86 1xkh s ALA 252 Cb 0.00 -1.48 1.09 0.00 0.00 0.00 0.00 23.12 22.73 1xkh s ALA 252 CO 0.00 -1.77 1.82 0.00 0.00 0.00 0.00 175.76 175.82 1xkh h THR 253 N 6.07 0.00 -0.31 0.00 1.03 -1.86 -3.34 112.91 114.50 1xkh h THR 253 Ca -0.13 -0.41 0.10 0.00 -0.01 0.00 0.00 66.41 65.97 1xkh h THR 253 Cb 1.00 1.29 -0.03 0.00 -1.07 0.00 0.00 68.15 69.34 1xkh h THR 253 CO 0.40 0.00 0.21 0.61 -0.01 0.00 0.00 175.52 176.73 1xkh n GLY 254 N 0.18 -0.18 0.36 2.99 0.00 -0.84 -1.71 105.19 105.99 1xkh n GLY 254 Ca 0.02 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.05 0.00 0.99 5.85 -1.77 -3.32 115.31 116.01 1xkh h LEU 255 Ca 0.18 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1xkh h LEU 255 Cb 0.63 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1xkh h LEU 255 CO -0.08 -0.40 -0.66 -0.07 -0.34 0.00 0.00 178.44 176.90 1xkh h LEU 256 N -0.49 0.00 -9.85 2.25 3.38 -1.60 -3.43 115.31 105.57 1xkh h LEU 256 Ca 0.06 -0.61 -0.52 0.00 0.09 0.00 0.00 57.88 56.90 1xkh h LEU 256 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xkh h LEU 256 CO -0.29 1.19 0.11 0.28 0.09 0.00 0.00 178.44 179.81 1xkh s THR 257 N -2.25 4.57 0.00 0.22 -1.32 -1.22 -5.04 115.64 110.59 1xkh s THR 257 Ca -0.22 1.29 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 1xkh s THR 257 Cb 0.02 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 1xkh s THR 257 CO 0.56 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.80 1xkh n GLY 258 N 0.75 -0.70 3.75 6.08 0.00 -1.26 -4.08 105.19 109.73 1xkh n GLY 258 Ca -0.02 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1xkh n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkh s ALA 259 N -3.22 2.76 0.00 4.61 0.00 -1.26 -4.63 121.76 120.00 1xkh s ALA 259 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1xkh s ALA 259 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1xkh s ALA 259 CO 0.00 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1xkh n GLY 260 N 0.75 2.06 3.18 0.00 0.00 0.72 -5.00 105.19 106.90 1xkh n GLY 260 Ca 0.11 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 1.79 0.60 1.61 0.01 -1.26 -4.62 113.70 113.82 1xkh s SER 261 Ca 0.00 -0.57 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 1xkh s SER 261 Cb 0.00 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 1xkh s SER 261 CO 0.00 -0.02 1.16 -0.76 0.41 0.00 0.00 173.24 174.03 1xkh s LEU 262 N -1.57 3.61 0.00 2.44 1.43 -1.26 -4.40 118.68 118.93 1xkh s LEU 262 Ca 0.00 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1xkh s LEU 262 Cb -0.09 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1xkh s LEU 262 CO 0.02 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 175.68 1xkh n GLY 263 N 0.18 1.98 3.35 -3.19 0.00 -1.16 -4.44 105.19 101.91 1xkh n GLY 263 Ca 0.12 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.94 -1.05 -0.20 4.61 0.00 -1.26 0.11 121.76 122.03 1xkh s ALA 264 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1xkh s ALA 264 Cb 0.00 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1xkh s ALA 264 CO 0.00 -0.68 -0.12 0.99 0.00 0.00 0.00 175.76 175.96 1xkh s THR 265 N -3.80 1.70 0.80 0.00 2.01 -0.71 -4.39 115.64 111.25 1xkh s THR 265 Ca 0.03 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 1xkh s THR 265 Cb 0.01 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.86 1xkh s THR 265 CO -0.12 0.22 1.11 -0.63 -0.69 0.00 0.00 174.62 174.52 1xkh s ILE 266 N 1.38 2.94 -0.45 1.82 -1.09 -0.49 -1.37 121.20 123.93 1xkh s ILE 266 Ca -0.00 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 1xkh s ILE 266 Cb -0.16 -2.68 0.18 0.00 -1.58 0.00 0.00 42.46 38.22 1xkh s ILE 266 CO -0.09 -0.39 0.65 0.21 -1.23 0.00 0.00 174.94 174.09 1xkh s ASN 267 N -3.10 -1.25 0.81 3.58 2.47 -0.62 -1.69 114.94 115.15 1xkh s ASN 267 Ca 0.64 -1.28 -0.11 0.00 0.42 0.00 0.00 52.86 52.52 1xkh s ASN 267 Cb -0.19 1.78 0.08 0.00 -1.45 0.00 0.00 41.25 41.47 1xkh s ASN 267 CO 0.55 -0.13 1.12 -0.76 -3.72 0.00 0.00 177.10 174.17 1xkh s LEU 268 N 1.38 3.02 -0.11 3.21 1.43 -0.89 -0.62 118.68 126.10 1xkh s LEU 268 Ca 0.22 2.02 -0.04 0.00 -1.03 0.00 0.00 54.13 55.30 1xkh s LEU 268 Cb -0.03 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.70 1xkh s LEU 268 CO -0.06 -2.41 0.22 -0.63 0.23 0.00 0.00 176.35 173.70 1xkh s ILE 269 N -2.69 -0.28 0.76 -0.59 1.01 -0.74 -2.29 121.20 116.39 1xkh s ILE 269 Ca 0.65 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 61.47 1xkh s ILE 269 Cb -0.20 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 41.94 1xkh s ILE 269 CO 0.55 0.11 1.08 -0.13 0.00 0.00 0.00 174.94 176.55 1xkh s ARG 270 N 2.09 2.39 -0.19 2.79 0.52 -1.26 0.19 118.95 125.48 1xkh s ARG 270 Ca -0.01 1.01 -0.29 0.00 -0.52 0.00 0.00 55.73 55.92 1xkh s ARG 270 Cb -0.12 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1xkh s ARG 270 CO -0.07 -1.50 1.29 0.15 0.02 0.00 0.00 175.30 175.19 1xkh s LYS 271 N -4.98 4.17 -0.03 3.54 1.02 0.21 -4.20 119.74 119.46 1xkh s LYS 271 Ca 0.60 1.61 -0.13 0.00 0.02 0.00 0.00 55.97 58.08 1xkh s LYS 271 Cb -0.16 -3.80 -0.05 0.00 -0.52 0.00 0.00 37.83 33.30 1xkh s LYS 271 CO 0.56 -0.80 0.33 0.15 -0.92 0.00 0.00 175.35 174.67 1xkh s LYS 272 N 3.66 3.79 0.46 1.68 -0.14 -1.26 -4.94 119.74 122.98 1xkh s LYS 272 Ca 0.56 0.26 -0.22 0.00 -1.36 0.00 0.00 55.97 55.21 1xkh s LYS 272 Cb -0.21 -3.21 -0.11 0.00 -1.68 0.00 0.00 37.83 32.62 1xkh s LYS 272 CO 0.17 0.72 0.74 -0.35 -0.76 0.00 0.00 175.35 175.86 1xkh n PRO 273 N 1.86 0.85 -3.74 -1.68 -0.04 -1.26 -4.99 135.00 126.00 1xkh n PRO 273 Ca -0.16 0.31 -0.37 0.00 -0.04 0.00 0.00 63.50 63.25 1xkh n PRO 273 Cb 0.53 -1.77 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.44 5.38 0.02 0.52 -1.32 -1.26 -4.96 115.64 112.58 1xkh s THR 274 Ca 0.65 0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 61.42 1xkh s THR 274 Cb -0.55 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 66.91 1xkh s THR 274 CO 0.56 0.54 1.12 0.45 -2.21 0.00 0.00 174.62 175.08 1xkh h HIS 275 N 5.53 -0.33 -4.42 9.09 3.86 -1.94 -3.28 115.15 123.66 1xkh h HIS 275 Ca -0.50 0.01 -0.47 0.00 -1.16 0.00 0.00 60.37 58.25 1xkh h HIS 275 Cb 1.20 0.14 0.11 0.00 1.06 0.00 0.00 27.41 29.92 1xkh h HIS 275 CO 0.69 -0.13 0.36 -2.00 0.86 0.00 0.00 177.93 177.71 1xkh s GLU 276 N -3.60 1.74 0.83 2.45 2.12 -1.26 -3.79 118.70 117.20 1xkh s GLU 276 Ca -0.04 0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.45 1xkh s GLU 276 Cb 0.01 -1.91 0.09 0.00 0.26 0.00 0.00 34.13 32.58 1xkh s GLU 276 CO 0.13 -1.78 1.09 0.12 -0.54 0.00 0.00 175.26 174.28 1xkh s PHE 277 N -3.39 2.55 0.00 5.30 5.36 -1.26 -4.54 117.98 121.99 1xkh s PHE 277 Ca 0.62 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.89 1xkh s PHE 277 Cb -0.13 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1xkh s PHE 277 CO 0.52 -2.04 0.00 1.17 -1.46 0.00 0.00 175.22 173.40 1xkh n LYS 278 N -3.65 0.00 -3.16 10.12 4.81 -0.88 -4.97 118.16 120.43 1xkh n LYS 278 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1xkh n LYS 278 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -0.24 -1.30 0.00 3.14 0.00 -1.26 -0.75 105.19 104.77 1xkh n GLY 279 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.94 0.00 -3.70 1.61 1.44 0.24 -4.94 115.22 110.81 1xkh n HIS 280 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 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 -0.09 -0.06 0.61 0.11 -1.26 0.06 120.40 117.76 1xkh s VAL 281 Ca 0.00 0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 1xkh s VAL 281 Cb 0.00 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1xkh s VAL 281 CO 0.00 0.16 -0.12 -0.70 -3.33 0.00 0.00 175.10 171.11 1xkh s GLU 282 N 1.90 2.65 0.00 1.54 2.12 -0.97 -3.27 118.70 122.66 1xkh s GLU 282 Ca 0.02 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1xkh s GLU 282 Cb -0.12 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1xkh s GLU 282 CO -0.03 0.60 0.00 1.28 -0.54 0.00 0.00 175.26 176.57 1xkh n LEU 283 N 2.40 0.00 0.00 2.70 4.77 -1.17 -1.22 117.00 124.48 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 4.17 3.00 -0.72 0.00 -1.18 -4.31 105.19 111.15 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 -0.12 0.83 0.00 4.61 0.00 -0.91 -0.48 121.76 125.68 1xkh s ALA 285 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1xkh s ALA 285 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1xkh s ALA 285 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1xkh n GLY 286 N 3.26 5.16 3.77 0.00 0.00 0.35 -1.65 105.19 116.08 1xkh n GLY 286 Ca -0.18 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 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 4.50 -1.25 1.61 0.01 0.17 -2.96 113.70 115.54 1xkh s SER 287 Ca 0.00 1.71 -0.02 0.00 1.31 0.00 0.00 55.95 58.95 1xkh s SER 287 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1xkh s SER 287 CO 0.00 -2.02 0.97 0.79 0.41 0.00 0.00 173.24 173.39 1xkh n TRP 288 N -3.51 -2.24 -3.72 2.43 8.01 -1.26 -2.71 117.44 114.44 1xkh n TRP 288 Ca 0.08 0.93 -0.22 0.00 -1.31 0.00 0.00 57.50 56.99 1xkh n TRP 288 Cb 0.54 -4.93 0.03 0.00 -2.01 0.00 0.00 31.31 24.93 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 -3.09 -1.36 -4.50 -0.99 8.00 -1.26 -0.63 116.55 112.71 1xkh n ASP 289 Ca -0.24 -0.82 -0.43 0.00 0.71 0.00 0.00 54.79 54.01 1xkh n ASP 289 Cb 0.65 -4.01 -0.08 0.00 -0.02 0.00 0.00 41.12 37.66 1xkh n ASP 289 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1xkh s ASN 290 N -4.30 6.23 -0.02 -2.24 3.84 -1.10 -3.13 114.94 114.22 1xkh s ASN 290 Ca 0.05 -0.52 0.04 0.00 0.21 0.00 0.00 52.86 52.64 1xkh s ASN 290 Cb -0.02 -2.24 -0.01 0.00 -0.55 0.00 0.00 41.25 38.43 1xkh s ASN 290 CO 0.82 -0.59 -0.15 -0.31 -2.79 0.00 0.00 177.10 174.08 1xkh s TYR 291 N 2.28 1.38 0.21 0.43 1.51 -0.34 0.13 117.35 122.94 1xkh s TYR 291 Ca 0.15 -0.31 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1xkh s TYR 291 Cb -0.16 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1xkh s TYR 291 CO 0.14 -0.07 0.30 0.50 -1.11 0.00 0.00 175.55 175.32 1xkh s ARG 292 N -0.19 1.31 -0.30 -0.62 3.52 0.36 -0.36 118.95 122.68 1xkh s ARG 292 Ca 0.02 -1.35 -0.17 0.00 -0.13 0.00 0.00 55.73 54.11 1xkh s ARG 292 Cb -0.07 0.38 0.20 0.00 -1.56 0.00 0.00 34.95 33.89 1xkh s ARG 292 CO 0.00 -0.49 1.24 -1.54 -0.81 0.00 0.00 175.30 173.70 1xkh s SER 293 N -3.05 -0.11 0.50 -2.12 1.04 0.14 -3.10 113.70 107.01 1xkh s SER 293 Ca 0.26 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.86 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 0.07 -0.03 0.00 -1.84 0.98 0.00 0.00 173.24 172.43 1xkh n GLU 294 N 3.51 0.79 -3.33 4.02 0.28 -0.36 -0.11 120.64 125.43 1xkh n GLU 294 Ca -0.15 -3.65 0.01 0.00 -0.16 0.00 0.00 57.16 53.22 1xkh n GLU 294 Cb 0.56 0.99 -0.03 0.00 1.43 0.00 0.00 31.44 34.39 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 -0.30 -2.28 118.68 115.84 1xkh s LEU 295 Ca 0.00 1.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.93 1xkh s LEU 295 Cb 0.00 2.09 -0.02 0.00 0.50 0.00 0.00 46.19 48.76 1xkh s LEU 295 CO 0.00 -0.25 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.10 1xkh s ASP 296 N 2.84 4.57 -0.07 3.68 2.15 0.11 -2.34 116.67 127.60 1xkh s ASP 296 Ca 0.11 -0.19 -0.03 0.00 0.43 0.00 0.00 52.55 52.88 1xkh s ASP 296 Cb -0.14 -1.73 0.04 0.00 -0.30 0.00 0.00 42.92 40.79 1xkh s ASP 296 CO -0.20 0.17 0.14 -0.69 -0.17 0.00 0.00 175.17 174.42 1xkh s VAL 297 N 0.37 -0.21 0.07 1.11 1.01 -0.55 0.79 120.40 123.00 1xkh s VAL 297 Ca -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1xkh s VAL 297 Cb -0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1xkh s VAL 297 CO 0.04 0.15 0.07 -0.55 0.00 0.00 0.00 175.10 174.80 1xkh s SER 298 N 2.12 0.33 0.00 3.32 0.15 0.07 -0.56 113.70 119.12 1xkh s SER 298 Ca 0.02 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1xkh s SER 298 Cb -0.12 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1xkh s SER 298 CO -0.05 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1xkh n GLY 299 N 0.03 -0.79 3.91 9.45 0.00 -0.56 -2.08 105.19 115.15 1xkh n GLY 299 Ca -0.14 -1.21 -0.28 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 3.60 0.00 1.61 0.02 -1.25 -0.96 135.00 136.02 1xkh s PRO 300 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.03 1xkh s PRO 300 Cb 0.00 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.94 1xkh s PRO 300 CO 0.00 0.11 0.65 1.28 -0.33 0.00 0.00 177.00 178.71 1xkh n LEU 301 N -1.36 1.24 -3.67 -5.54 4.77 -0.84 -4.86 117.00 106.73 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 -0.38 -0.01 0.01 -5.08 -4.23 -1.26 -5.04 115.64 99.65 1xkh s THR 302 Ca 0.00 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1xkh s THR 302 Cb 0.00 -0.79 -0.01 0.00 1.34 0.00 0.00 72.50 73.04 1xkh s THR 302 CO 0.00 0.02 0.21 -0.62 -0.54 0.00 0.00 174.62 173.69 1xkh n GLU 303 N 3.95 -0.04 -0.13 3.99 -0.58 -1.26 0.38 120.64 126.95 1xkh n GLU 303 Ca -0.20 0.21 -0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1xkh n GLU 303 Cb 0.57 -0.31 0.02 0.00 -0.57 0.00 0.00 31.44 31.15 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 -0.39 0.00 1.62 4.64 -1.98 -3.46 113.55 113.98 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 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1xkh h SER 304 CO -0.08 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.35 1xkh n GLY 305 N -1.32 0.82 0.41 -0.77 0.00 0.16 -4.94 105.19 99.54 1xkh n GLY 305 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.35 1.61 2.35 -1.90 -3.35 115.58 110.94 1xkh h ASN 306 Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.33 1xkh h ASN 306 Cb 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.01 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 -4.34 0.46 0.06 2.81 0.11 -1.26 0.12 120.40 118.36 1xkh s VAL 307 Ca -0.03 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.11 1xkh s VAL 307 Cb 0.11 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1xkh s VAL 307 CO 0.37 0.24 -0.24 -0.13 -3.33 0.00 0.00 175.10 172.02 1xkh s ARG 308 N 1.48 1.56 0.01 1.54 0.52 -0.96 -1.99 118.95 121.11 1xkh s ARG 308 Ca -0.02 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1xkh s ARG 308 Cb -0.13 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.58 1xkh s ARG 308 CO -0.03 0.44 0.07 0.20 0.02 0.00 0.00 175.30 176.01 1xkh s GLY 309 N -1.33 0.13 -0.01 -3.53 0.00 -0.14 0.37 107.32 102.83 1xkh s GLY 309 Ca 0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 1xkh s GLY 309 CO 0.02 -0.46 0.01 -1.60 0.00 0.00 0.00 173.10 171.08 1xkh s ARG 310 N -1.53 -0.00 -0.01 2.90 3.52 0.12 -1.49 118.95 122.45 1xkh s ARG 310 Ca -0.14 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1xkh s ARG 310 Cb -0.08 -0.05 0.01 0.00 -1.56 0.00 0.00 34.95 33.27 1xkh s ARG 310 CO 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 175.30 174.45 1xkh s ALA 311 N 0.24 0.20 -0.03 6.12 0.00 0.28 -0.26 121.76 128.31 1xkh s ALA 311 Ca -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 1xkh s ALA 311 Cb -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1xkh s ALA 311 CO -0.01 -0.02 0.19 0.54 0.00 0.00 0.00 175.76 176.46 1xkh s VAL 312 N 0.49 0.05 -0.10 0.00 0.11 -0.60 -1.48 120.40 118.87 1xkh s VAL 312 Ca -0.04 -0.42 -0.21 0.00 -2.93 0.00 0.00 61.98 58.37 1xkh s VAL 312 Cb -0.07 -0.41 0.05 0.00 -1.53 0.00 0.00 36.38 34.41 1xkh s VAL 312 CO -0.01 -0.23 0.51 0.00 -3.33 0.00 0.00 175.10 172.04 1xkh s ALA 313 N -0.87 -1.30 0.06 1.54 0.00 -0.99 -1.56 121.76 118.66 1xkh s ALA 313 Ca -0.10 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1xkh s ALA 313 Cb -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1xkh s ALA 313 CO 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 175.76 175.44 1xkh s ALA 314 N -0.68 0.61 -0.01 0.00 0.00 -0.13 -1.15 121.76 120.40 1xkh s ALA 314 Ca -0.08 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1xkh s ALA 314 Cb -0.03 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 1xkh s ALA 314 CO 0.05 -0.25 -0.07 0.71 0.00 0.00 0.00 175.76 176.20 1xkh s TYR 315 N -3.09 0.72 -0.18 0.00 2.02 0.84 -1.65 117.35 116.00 1xkh s TYR 315 Ca 0.03 -0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.51 1xkh s TYR 315 Cb 0.02 -0.49 0.08 0.00 -0.40 0.00 0.00 41.96 41.17 1xkh s TYR 315 CO -0.06 -0.04 0.39 -1.14 -1.57 0.00 0.00 175.55 173.14 1xkh s GLN 316 N -0.04 0.32 -0.14 -0.62 0.74 -0.89 0.27 119.66 119.31 1xkh s GLN 316 Ca 0.01 0.91 -0.01 0.00 0.05 0.00 0.00 55.36 56.33 1xkh s GLN 316 Cb -0.05 0.17 0.03 0.00 1.10 0.00 0.00 33.01 34.27 1xkh s GLN 316 CO -0.00 -0.22 -0.05 0.34 -0.55 0.00 0.00 175.29 174.80 1xkh s ASP 317 N 2.18 2.44 0.06 6.67 2.15 0.51 -1.28 116.67 129.40 1xkh s ASP 317 Ca -0.04 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.48 1xkh s ASP 317 Cb -0.11 -0.82 -0.04 0.00 -0.30 0.00 0.00 42.92 41.66 1xkh s ASP 317 CO -0.12 -0.17 -0.05 -1.59 -0.17 0.00 0.00 175.17 173.07 1xkh s LYS 318 N 1.71 0.65 0.00 4.34 -2.85 -0.93 -1.20 119.74 121.45 1xkh s LYS 318 Ca 0.03 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1xkh s LYS 318 Cb -0.14 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 1xkh s LYS 318 CO -0.08 -0.05 0.00 0.72 0.10 0.00 0.00 175.35 176.04 1xkh n HIS 319 N 0.39 0.00 -3.61 1.78 8.25 0.19 -2.24 115.22 119.99 1xkh n HIS 319 Ca -0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.23 1xkh n HIS 319 Cb 0.59 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 -0.87 -0.34 0.00 0.41 0.15 -1.08 -4.74 113.70 107.22 1xkh s SER 320 Ca 0.00 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 1xkh s SER 320 Cb 0.00 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1xkh s SER 320 CO 0.00 -0.88 0.45 2.22 1.20 0.00 0.00 173.24 176.24 1xkh n PHE 321 N -0.37 0.00 -3.76 3.44 -1.74 -1.26 -4.84 117.46 108.93 1xkh n PHE 321 Ca -0.09 -0.08 -0.21 0.00 -0.56 0.00 0.00 57.45 56.51 1xkh n PHE 321 Cb 0.62 -0.39 -0.03 0.00 1.52 0.00 0.00 39.48 41.20 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 2.54 5.58 0.00 5.98 1.01 -1.18 -4.79 116.67 125.82 1xkh s ASP 323 Ca 0.02 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.95 1xkh s ASP 323 Cb 0.01 -1.16 0.00 0.00 1.01 0.00 0.00 42.92 42.78 1xkh s ASP 323 CO 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 175.17 175.06 1xkh n HIS 324 N -1.43 0.00 -3.36 4.23 1.44 -1.26 -4.84 115.22 110.00 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 -0.31 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 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 3.41 -0.44 -1.40 6.14 -1.26 -4.04 117.35 119.76 1xkh s TYR 325 Ca 0.00 0.70 0.05 0.00 0.64 0.00 0.00 57.07 58.46 1xkh s TYR 325 Cb 0.00 -2.53 0.17 0.00 0.42 0.00 0.00 41.96 40.02 1xkh s TYR 325 CO 0.00 0.04 0.52 -1.21 0.64 0.00 0.00 175.55 175.54 1xkh s GLU 326 N 1.11 0.89 0.25 4.97 2.02 -0.91 -2.63 118.70 124.41 1xkh s GLU 326 Ca 0.21 -1.25 -0.12 0.00 0.02 0.00 0.00 54.97 53.83 1xkh s GLU 326 Cb -0.15 -0.61 -0.08 0.00 0.10 0.00 0.00 34.13 33.40 1xkh s GLU 326 CO 0.08 -1.30 0.62 0.50 0.02 0.00 0.00 175.26 175.18 1xkh s ARG 327 N 0.86 3.90 -0.04 1.61 3.52 -0.95 -3.89 118.95 123.96 1xkh s ARG 327 Ca 0.26 0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 56.31 1xkh s ARG 327 Cb -0.03 -2.61 0.03 0.00 -1.56 0.00 0.00 34.95 30.78 1xkh s ARG 327 CO -0.09 0.28 0.00 -1.59 -0.81 0.00 0.00 175.30 173.10 1xkh s LYS 328 N -2.76 0.37 0.33 5.12 -2.85 -1.23 -2.20 119.74 116.52 1xkh s LYS 328 Ca 0.49 0.11 0.10 0.00 -1.00 0.00 0.00 55.97 55.66 1xkh s LYS 328 Cb -0.11 -0.64 -0.06 0.00 -2.06 0.00 0.00 37.83 34.96 1xkh s LYS 328 CO 0.20 -0.20 -0.12 0.95 0.10 0.00 0.00 175.35 176.28 1xkh s THR 329 N 1.40 2.24 -0.19 3.79 -4.23 -0.40 -1.72 115.64 116.53 1xkh s THR 329 Ca -0.04 -2.24 -0.18 0.00 -1.18 0.00 0.00 61.69 58.04 1xkh s THR 329 Cb -0.13 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.20 1xkh s THR 329 CO -0.03 -0.25 0.52 -0.94 -0.54 0.00 0.00 174.62 173.38 1xkh s SER 330 N -3.57 -0.54 -0.01 3.99 1.04 -0.93 -2.08 113.70 111.59 1xkh s SER 330 Ca 0.32 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1xkh s SER 330 Cb 0.01 1.04 0.02 0.00 0.10 0.00 0.00 66.02 67.18 1xkh s SER 330 CO 0.16 -0.20 0.01 0.54 0.98 0.00 0.00 173.24 174.73 1xkh s VAL 331 N 0.20 0.03 0.15 5.02 0.11 -0.66 -1.08 120.40 124.18 1xkh s VAL 331 Ca -0.01 0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.22 1xkh s VAL 331 Cb -0.04 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.68 1xkh s VAL 331 CO 0.01 0.06 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.33 1xkh s TYR 332 N 0.56 1.90 -0.28 1.54 2.02 -0.77 -0.96 117.35 121.36 1xkh s TYR 332 Ca -0.05 -0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.00 1xkh s TYR 332 Cb -0.07 -0.97 0.12 0.00 -0.40 0.00 0.00 41.96 40.64 1xkh s TYR 332 CO -0.01 0.33 0.94 -0.47 -1.57 0.00 0.00 175.55 174.76 1xkh s TYR 333 N -1.75 -0.62 -0.04 2.71 5.04 -0.60 -1.15 117.35 120.94 1xkh s TYR 333 Ca 0.14 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1xkh s TYR 333 Cb -0.07 0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.65 1xkh s TYR 333 CO 0.06 -0.30 -0.00 0.20 -1.34 0.00 0.00 175.55 174.17 1xkh s GLY 334 N 0.77 0.33 0.02 8.97 0.00 -0.78 -1.56 107.32 115.07 1xkh s GLY 334 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1xkh s GLY 334 CO -0.10 0.73 -0.11 -1.50 0.00 0.00 0.00 173.10 172.11 1xkh s ILE 335 N 1.26 0.89 0.07 0.90 2.07 0.64 -1.31 121.20 125.73 1xkh s ILE 335 Ca -0.06 -0.71 -0.04 0.00 -1.41 0.00 0.00 60.65 58.42 1xkh s ILE 335 Cb -0.13 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 1xkh s ILE 335 CO -0.02 0.08 0.07 -0.76 -1.91 0.00 0.00 174.94 172.40 1xkh s LEU 336 N -0.72 1.99 0.03 8.50 1.02 0.37 0.15 118.68 130.02 1xkh s LEU 336 Ca 0.02 -0.89 0.05 0.00 0.02 0.00 0.00 54.13 53.33 1xkh s LEU 336 Cb -0.06 0.55 -0.02 0.00 0.02 0.00 0.00 46.19 46.68 1xkh s LEU 336 CO 0.00 -0.67 -0.15 -1.61 0.02 0.00 0.00 176.35 173.94 1xkh s GLU 337 N -3.91 1.07 -0.37 1.70 2.02 0.16 -1.25 118.70 118.12 1xkh s GLU 337 Ca 0.08 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1xkh s GLU 337 Cb 0.07 -1.08 0.11 0.00 0.10 0.00 0.00 34.13 33.32 1xkh s GLU 337 CO -0.09 0.28 0.12 -0.06 0.02 0.00 0.00 175.26 175.53 1xkh s PHE 338 N -0.70 2.76 0.81 1.61 0.08 -1.24 -2.27 117.98 119.02 1xkh s PHE 338 Ca 0.04 -2.53 -0.11 0.00 0.12 0.00 0.00 56.93 54.45 1xkh s PHE 338 Cb -0.07 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 40.09 1xkh s PHE 338 CO 0.01 -0.88 1.09 -0.51 -0.10 0.00 0.00 175.22 174.83 1xkh s ASP 339 N 0.91 4.27 0.00 1.36 1.01 0.33 -2.57 116.67 121.98 1xkh s ASP 339 Ca 0.12 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.96 1xkh s ASP 339 Cb -0.20 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1xkh s ASP 339 CO -0.11 -2.15 0.00 0.18 0.21 0.00 0.00 175.17 173.30 1xkh n LEU 340 N -3.58 0.00 0.00 1.23 4.77 -1.23 -4.92 117.00 113.27 1xkh n LEU 340 Ca 0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 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 0.25 0.00 0.59 -1.33 0.00 0.00 177.39 177.45 1xkh n ASN 341 N 0.00 0.00 0.30 -1.43 4.13 -1.26 -3.77 115.26 113.23 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 0.16 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.61 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 -2.05 3.52 0.11 -1.97 1.91 132.00 133.53 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 -0.25 -0.25 -0.21 0.00 0.00 178.00 177.29 1xkh n ASP 343 N -2.46 4.92 -3.78 -2.05 8.00 -1.25 -1.40 116.55 118.53 1xkh n ASP 343 Ca -0.01 -2.39 -0.20 0.00 0.71 0.00 0.00 54.79 52.90 1xkh n ASP 343 Cb 0.78 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 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 2.29 0.00 -3.11 -3.53 -2.24 0.65 -3.55 114.28 104.79 1xkh n THR 344 Ca 0.30 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1xkh n THR 344 Cb 0.76 -0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 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 6.09 -1.34 -4.76 3.22 7.94 -1.06 -2.79 117.00 124.29 1xkh n LEU 346 Ca 0.22 -3.97 -0.39 0.00 -1.11 0.00 0.00 56.01 50.75 1xkh n LEU 346 Cb 0.33 0.66 -0.06 0.00 0.53 0.00 0.00 43.42 44.88 1xkh n LEU 346 CO 0.68 1.95 0.68 0.28 -1.11 0.00 0.00 177.39 179.87 1xkh s THR 347 N 0.02 3.99 0.15 1.96 -1.32 0.26 -3.72 115.64 116.99 1xkh s THR 347 Ca 0.33 1.89 -0.15 0.00 -1.21 0.00 0.00 61.69 62.55 1xkh s THR 347 Cb 0.09 -4.16 0.02 0.00 -1.51 0.00 0.00 72.50 66.95 1xkh s THR 347 CO -0.15 0.36 0.41 0.68 -2.21 0.00 0.00 174.62 173.71 1xkh s VAL 348 N -1.31 0.06 0.00 5.08 -7.23 -0.38 -0.50 120.40 116.12 1xkh s VAL 348 Ca 0.45 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1xkh s VAL 348 Cb -0.25 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1xkh s VAL 348 CO 0.31 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1xkh n GLY 349 N -0.26 0.35 3.19 2.32 0.00 -0.97 -0.48 105.19 109.34 1xkh n GLY 349 Ca -0.13 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.73 0.40 4.61 0.00 -0.43 -1.57 121.76 122.04 1xkh s ALA 350 Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1xkh s ALA 350 Cb 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1xkh s ALA 350 CO 0.00 -0.15 0.09 0.16 0.00 0.00 0.00 175.76 175.86 1xkh s ASP 351 N 0.03 4.16 -0.30 0.00 1.47 -0.24 -1.86 116.67 119.92 1xkh s ASP 351 Ca -0.01 -1.19 -0.11 0.00 1.18 0.00 0.00 52.55 52.41 1xkh s ASP 351 Cb -0.02 -0.45 0.17 0.00 -0.34 0.00 0.00 42.92 42.28 1xkh s ASP 351 CO 0.01 -0.47 0.90 -0.47 0.68 0.00 0.00 175.17 175.82 1xkh s TYR 352 N -2.64 -0.87 0.00 2.11 5.04 -0.30 -0.60 117.35 120.10 1xkh s TYR 352 Ca 0.38 1.17 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 1xkh s TYR 352 Cb 0.06 0.40 -0.03 0.00 0.35 0.00 0.00 41.96 42.73 1xkh s TYR 352 CO 0.20 -0.46 -0.11 -1.14 -1.34 0.00 0.00 175.55 172.70 1xkh s GLN 353 N 2.74 2.41 -0.16 4.97 0.74 0.13 -1.85 119.66 128.63 1xkh s GLN 353 Ca 0.03 -0.79 -0.02 0.00 0.05 0.00 0.00 55.36 54.62 1xkh s GLN 353 Cb -0.10 -2.39 0.05 0.00 1.10 0.00 0.00 33.01 31.68 1xkh s GLN 353 CO -0.16 0.59 0.03 0.34 -0.55 0.00 0.00 175.29 175.53 1xkh s ASP 354 N -1.27 2.57 -0.40 6.67 -1.08 -0.24 -1.05 116.67 121.87 1xkh s ASP 354 Ca 0.15 -0.63 -0.12 0.00 -0.52 0.00 0.00 52.55 51.43 1xkh s ASP 354 Cb -0.11 -0.56 0.04 0.00 -1.46 0.00 0.00 42.92 40.83 1xkh s ASP 354 CO 0.05 -0.28 0.25 0.20 0.52 0.00 0.00 175.17 175.92 1xkh s ASN 355 N 1.88 5.83 -0.85 -0.34 0.01 -0.04 -2.18 114.94 119.25 1xkh s ASN 355 Ca 0.01 -1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 51.04 1xkh s ASN 355 Cb -0.16 -2.06 0.21 0.00 0.41 0.00 0.00 41.25 39.65 1xkh s ASN 355 CO -0.07 -0.45 0.72 -0.62 -1.51 0.00 0.00 177.10 175.16 1xkh s ASP 356 N 1.78 5.80 0.60 -1.22 2.15 -0.70 -2.02 116.67 123.04 1xkh s ASP 356 Ca 0.03 -3.67 -0.14 0.00 0.43 0.00 0.00 52.55 49.19 1xkh s ASP 356 Cb -0.20 -1.87 -0.04 0.00 -0.30 0.00 0.00 42.92 40.51 1xkh s ASP 356 CO 0.06 -0.19 1.03 -2.16 -0.17 0.00 0.00 175.17 173.75 1xkh s PRO 357 N -1.26 3.45 -0.11 4.34 0.04 -1.26 -3.48 135.00 136.71 1xkh s PRO 357 Ca 0.26 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 1xkh s PRO 357 Cb -0.08 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1xkh s PRO 357 CO -0.12 -0.69 0.28 0.15 0.04 0.00 0.00 177.00 176.66 1xkh s LYS 358 N -4.40 0.29 0.00 4.56 -0.14 -1.25 -4.17 119.74 114.63 1xkh s LYS 358 Ca 0.60 0.50 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 1xkh s LYS 358 Cb -0.13 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.04 1xkh s LYS 358 CO 0.41 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.30 1xkh n GLY 359 N 3.64 0.73 3.68 -3.33 0.00 0.22 -2.13 105.19 108.00 1xkh n GLY 359 Ca -0.19 -0.52 -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 0.89 1.61 0.15 0.24 -4.31 113.70 116.57 1xkh s SER 360 Ca 0.00 2.20 -0.12 0.00 0.70 0.00 0.00 55.95 58.74 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 1.23 -0.83 1.20 0.00 0.00 173.24 174.05 1xkh s GLY 361 N 2.19 1.77 -0.07 9.45 0.00 -1.26 -4.05 107.32 115.35 1xkh s GLY 361 Ca 0.67 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1xkh s GLY 361 CO 0.28 -0.63 0.21 0.86 0.00 0.00 0.00 173.10 173.82 1xkh s TRP 362 N -3.68 -0.22 -0.03 1.90 -0.00 -1.26 -4.25 118.94 111.41 1xkh s TRP 362 Ca 0.72 0.53 -0.00 0.00 -0.00 0.00 0.00 56.10 57.34 1xkh s TRP 362 Cb -0.04 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 33.50 1xkh s TRP 362 CO 0.50 -0.12 0.01 -1.13 -0.00 0.00 0.00 176.95 176.21 1xkh n SER 363 N 2.87 -6.80 -0.09 5.86 3.41 -1.25 -4.71 113.62 112.91 1xkh n SER 363 Ca -0.13 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1xkh n SER 363 Cb 0.58 -1.92 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 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 1.69 -1.72 0.00 5.00 0.00 0.63 -4.68 105.19 106.12 1xkh n GLY 364 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 0.21 4.16 -3.58 1.61 7.64 0.61 -4.57 113.62 119.70 1xkh n SER 365 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1xkh n SER 365 Cb 0.00 0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 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 -1.68 -0.43 0.05 1.43 -0.71 -1.10 -0.69 117.98 114.85 1xkh s PHE 366 Ca 0.00 0.79 -0.31 0.00 -1.04 0.00 0.00 56.93 56.37 1xkh s PHE 366 Cb 0.00 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.18 1xkh s PHE 366 CO 0.00 -0.37 1.35 -1.25 -1.34 0.00 0.00 175.22 173.60 1xkh s PRO 367 N -0.95 4.33 0.53 1.99 0.04 -1.26 -2.83 135.00 136.84 1xkh s PRO 367 Ca -0.03 1.95 0.22 0.00 0.04 0.00 0.00 61.00 63.19 1xkh s PRO 367 Cb -0.01 -3.41 1.36 0.00 0.04 0.00 0.00 34.50 32.49 1xkh s PRO 367 CO 0.02 -0.45 2.05 -0.07 0.04 0.00 0.00 177.00 178.59 1xkh h LEU 368 N 7.46 0.00 -8.39 -3.56 3.38 -1.84 -3.43 115.31 108.94 1xkh h LEU 368 Ca -0.40 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.98 1xkh h LEU 368 Cb 1.20 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.65 1xkh h LEU 368 CO 0.87 0.00 -0.85 -0.36 0.09 0.00 0.00 178.44 178.19 1xkh s PHE 369 N -5.02 1.81 0.41 1.13 0.08 -1.26 -2.03 117.98 113.10 1xkh s PHE 369 Ca -0.05 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.56 1xkh s PHE 369 Cb 0.19 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1xkh s PHE 369 CO 0.71 -0.06 0.72 0.16 -0.10 0.00 0.00 175.22 176.65 1xkh s ASP 370 N -0.39 6.37 0.00 1.36 1.47 -1.23 -3.13 116.67 121.12 1xkh s ASP 370 Ca 0.06 0.90 0.00 0.00 1.18 0.00 0.00 52.55 54.68 1xkh s ASP 370 Cb -0.08 -2.23 0.00 0.00 -0.34 0.00 0.00 42.92 40.27 1xkh s ASP 370 CO -0.00 -0.43 0.00 -0.24 0.68 0.00 0.00 175.17 175.18 1xkh n SER 371 N -1.71 0.00 0.00 2.11 2.88 -1.23 -1.52 113.62 114.14 1xkh n SER 371 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 3.77 -0.88 -1.46 0.00 -1.26 -4.80 117.38 112.76 1xkh n GLN 372 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 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 -2.70 0.00 2.61 0.00 -0.58 -4.86 105.19 99.74 1xkh n GLY 373 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 1.96 0.00 -4.88 1.61 4.13 -1.26 -4.08 115.26 112.74 1xkh n ASN 374 Ca -0.01 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.95 1xkh n ASN 374 Cb 0.65 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.92 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 3.15 -0.11 3.52 1.81 -1.26 -3.58 118.95 122.49 1xkh s ARG 375 Ca 0.00 0.52 0.00 0.00 -1.72 0.00 0.00 55.73 54.53 1xkh s ARG 375 Cb 0.00 -2.07 -0.02 0.00 -0.45 0.00 0.00 34.95 32.40 1xkh s ARG 375 CO 0.00 -0.81 -0.10 -0.80 -0.68 0.00 0.00 175.30 172.91 1xkh s ASN 376 N -4.28 4.30 -0.08 0.23 0.01 -0.86 -4.70 114.94 109.56 1xkh s ASN 376 Ca 0.56 -0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 52.50 1xkh s ASN 376 Cb -0.11 -1.40 -0.03 0.00 0.41 0.00 0.00 41.25 40.12 1xkh s ASN 376 CO 0.52 0.24 -0.02 -1.81 -1.51 0.00 0.00 177.10 174.52 1xkh s ASP 377 N -0.10 5.06 -0.20 -1.22 1.01 -1.26 -4.98 116.67 114.97 1xkh s ASP 377 Ca -0.00 0.09 -0.27 0.00 0.71 0.00 0.00 52.55 53.07 1xkh s ASP 377 Cb -0.13 -1.39 0.09 0.00 1.01 0.00 0.00 42.92 42.50 1xkh s ASP 377 CO 0.03 0.37 0.85 0.54 0.21 0.00 0.00 175.17 177.17 1xkh s VAL 378 N -0.83 0.00 0.37 -1.27 0.11 -1.26 -5.12 120.40 112.40 1xkh s VAL 378 Ca 0.13 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 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 -0.06 -1.54 -3.33 0.00 0.00 175.10 170.19 1xkh n SER 379 N 1.80 -2.72 0.25 3.54 3.41 -1.26 -4.74 113.62 113.90 1xkh n SER 379 Ca -0.14 0.55 0.17 0.00 -0.26 0.00 0.00 58.87 59.18 1xkh n SER 379 Cb 0.56 -0.67 0.90 0.00 -0.26 0.00 0.00 64.21 64.73 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 0.06 0.00 -0.67 4.33 3.08 -2.01 -2.77 114.38 116.40 1xkh h ARG 380 Ca -0.31 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.28 1xkh h ARG 380 Cb 1.14 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.89 1xkh h ARG 380 CO 0.34 0.00 -0.25 -1.13 -1.07 0.00 0.00 179.97 177.86 1xkh n SER 381 N -2.65 4.73 -4.89 7.04 3.41 -1.26 -4.69 113.62 115.30 1xkh n SER 381 Ca -0.02 -3.78 -0.29 0.00 -0.26 0.00 0.00 58.87 54.52 1xkh n SER 381 Cb 0.05 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 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 -3.54 3.58 -0.29 7.33 5.36 -1.05 -3.09 117.98 126.27 1xkh s PHE 382 Ca 0.52 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.53 1xkh s PHE 382 Cb 0.43 -2.52 0.16 0.00 -0.34 0.00 0.00 43.02 40.75 1xkh s PHE 382 CO 0.01 -0.50 0.40 1.21 -1.46 0.00 0.00 175.22 174.88 1xkh s ASN 383 N -4.15 0.55 0.41 6.13 2.47 -1.25 -4.74 114.94 114.36 1xkh s ASN 383 Ca 0.51 -0.49 0.10 0.00 0.42 0.00 0.00 52.86 53.40 1xkh s ASN 383 Cb -0.11 1.02 0.54 0.00 -1.45 0.00 0.00 41.25 41.25 1xkh s ASN 383 CO 0.49 -0.35 1.18 -0.55 -3.72 0.00 0.00 177.10 174.15 1xkh h ASN 384 N 8.11 0.00 -3.77 -4.21 7.08 -1.20 -3.41 115.58 118.18 1xkh h ASN 384 Ca -0.08 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.66 1xkh h ASN 384 Cb 1.11 0.00 0.20 0.00 -2.08 0.00 0.00 38.32 37.55 1xkh h ASN 384 CO 0.27 0.00 0.13 -0.83 -2.08 0.00 0.00 177.43 174.92 1xkh s GLY 385 N -3.00 1.61 -0.18 9.14 0.00 -1.26 -0.43 107.32 113.20 1xkh s GLY 385 Ca -0.01 0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 1xkh s GLY 385 CO 0.09 0.73 0.10 0.00 0.00 0.00 0.00 173.10 174.02 1xkh s ALA 386 N -2.60 3.59 0.26 3.20 0.00 0.26 -3.95 121.76 122.52 1xkh s ALA 386 Ca 0.67 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1xkh s ALA 386 Cb -0.23 -2.02 0.68 0.00 0.00 0.00 0.00 23.12 21.54 1xkh s ALA 386 CO 0.61 0.25 1.27 1.63 0.00 0.00 0.00 175.76 179.52 1xkh n LYS 387 N 3.26 -0.06 0.06 0.00 5.02 1.35 0.22 118.16 128.00 1xkh n LYS 387 Ca -0.17 1.20 0.12 0.00 -2.02 0.00 0.00 58.31 57.45 1xkh n LYS 387 Cb 0.53 -1.94 0.20 0.00 -0.02 0.00 0.00 35.03 33.79 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 -5.12 0.55 -1.86 2.13 4.27 -1.26 -1.95 117.44 114.21 1xkh n TRP 388 Ca 0.20 0.16 -0.40 0.00 -3.89 0.00 0.00 57.50 53.58 1xkh n TRP 388 Cb 0.67 -0.66 0.01 0.00 -1.36 0.00 0.00 31.31 29.98 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 -4.18 6.01 0.07 -0.67 0.15 0.58 -4.54 113.70 111.13 1xkh s SER 389 Ca 0.07 2.87 -0.26 0.00 0.70 0.00 0.00 55.95 59.33 1xkh s SER 389 Cb 0.14 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 1xkh s SER 389 CO 0.71 -1.08 0.75 -0.94 1.20 0.00 0.00 173.24 173.88 1xkh s SER 390 N -0.53 -0.47 -0.49 5.45 1.04 -1.24 0.79 113.70 118.25 1xkh s SER 390 Ca 0.59 0.04 0.08 0.00 0.48 0.00 0.00 55.95 57.14 1xkh s SER 390 Cb -0.43 0.49 0.28 0.00 0.10 0.00 0.00 66.02 66.47 1xkh s SER 390 CO 0.55 -0.78 0.70 1.87 0.98 0.00 0.00 173.24 176.57 1xkh n TRP 391 N -0.24 1.69 -1.60 5.02 -0.00 -1.26 -3.09 117.44 117.96 1xkh n TRP 391 Ca -0.13 -3.86 -0.46 0.00 -0.00 0.00 0.00 57.50 53.05 1xkh n TRP 391 Cb 0.63 -0.45 -0.04 0.00 -0.00 0.00 0.00 31.31 31.45 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 0.74 2.00 -5.03 5.87 2.13 -0.71 -4.69 120.64 120.95 1xkh n GLU 392 Ca 0.26 0.65 -0.32 0.00 0.66 0.00 0.00 57.16 58.41 1xkh n GLU 392 Cb 0.50 -2.89 -0.14 0.00 0.27 0.00 0.00 31.44 29.17 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 5.41 2.27 0.02 5.31 -0.21 -0.86 0.16 119.66 131.76 1xkh s GLN 393 Ca 0.98 -0.84 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 1xkh s GLN 393 Cb -0.55 -2.21 -0.01 0.00 1.00 0.00 0.00 33.01 31.25 1xkh s GLN 393 CO 0.44 0.59 0.09 1.52 -2.12 0.00 0.00 175.29 175.80 1xkh s TYR 394 N -0.71 0.14 -0.17 0.91 -0.85 -1.01 -0.86 117.35 114.81 1xkh s TYR 394 Ca 0.11 -0.34 -0.09 0.00 -0.52 0.00 0.00 57.07 56.24 1xkh s TYR 394 Cb -0.10 -0.11 0.06 0.00 0.38 0.00 0.00 41.96 42.19 1xkh s TYR 394 CO 0.00 -0.30 0.40 0.95 -1.52 0.00 0.00 175.55 175.08 1xkh s THR 395 N -1.83 -0.11 0.05 -3.49 -4.23 -0.22 -2.04 115.64 103.78 1xkh s THR 395 Ca -0.12 0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1xkh s THR 395 Cb -0.06 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.16 1xkh s THR 395 CO -0.01 0.05 -0.15 0.00 -0.54 0.00 0.00 174.62 173.97 1xkh s ARG 396 N 1.56 0.91 -0.01 3.99 1.70 -1.09 0.19 118.95 126.21 1xkh s ARG 396 Ca -0.08 -0.85 -0.22 0.00 -0.47 0.00 0.00 55.73 54.11 1xkh s ARG 396 Cb -0.09 -0.94 0.04 0.00 -0.57 0.00 0.00 34.95 33.40 1xkh s ARG 396 CO -0.12 0.22 0.48 -0.08 -1.08 0.00 0.00 175.30 174.72 1xkh s THR 397 N -1.01 0.03 -0.05 4.99 -1.32 0.23 -1.57 115.64 116.95 1xkh s THR 397 Ca 0.01 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.23 1xkh s THR 397 Cb -0.09 -0.84 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1xkh s THR 397 CO 0.02 -0.16 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.46 1xkh s VAL 398 N -1.58 1.10 0.16 5.08 1.01 0.16 -1.08 120.40 125.25 1xkh s VAL 398 Ca -0.10 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1xkh s VAL 398 Cb -0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1xkh s VAL 398 CO 0.05 0.34 -0.12 0.72 0.00 0.00 0.00 175.10 176.08 1xkh s PHE 399 N 0.38 1.41 -0.10 5.22 -0.12 -0.61 -0.38 117.98 123.79 1xkh s PHE 399 Ca -0.09 -0.67 -0.20 0.00 -0.05 0.00 0.00 56.93 55.92 1xkh s PHE 399 Cb -0.13 -0.70 0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1xkh s PHE 399 CO 0.02 0.17 0.48 0.00 -0.05 0.00 0.00 175.22 175.84 1xkh s ALA 400 N -3.04 -1.20 -0.30 1.99 0.00 -0.96 -2.30 121.76 115.94 1xkh s ALA 400 Ca 0.17 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1xkh s ALA 400 Cb 0.00 -0.33 0.20 0.00 0.00 0.00 0.00 23.12 23.00 1xkh s ALA 400 CO 0.03 -0.27 1.43 0.54 0.00 0.00 0.00 175.76 177.48 1xkh s ASN 401 N -0.60 -0.03 -0.05 0.00 4.22 0.35 -0.47 114.94 118.35 1xkh s ASN 401 Ca -0.07 0.05 0.05 0.00 -2.14 0.00 0.00 52.86 50.75 1xkh s ASN 401 Cb -0.03 0.28 -0.00 0.00 1.28 0.00 0.00 41.25 42.77 1xkh s ASN 401 CO 0.04 -0.01 -0.19 -1.48 -2.04 0.00 0.00 177.10 173.42 1xkh s LEU 402 N 0.25 1.95 0.10 3.54 0.05 -0.69 -0.57 118.68 123.31 1xkh s LEU 402 Ca 0.04 -0.40 0.02 0.00 0.05 0.00 0.00 54.13 53.84 1xkh s LEU 402 Cb -0.04 -1.09 -0.04 0.00 -2.05 0.00 0.00 46.19 42.97 1xkh s LEU 402 CO -0.15 0.17 0.20 -1.83 -0.55 0.00 0.00 176.35 174.19 1xkh s GLU 403 N 0.04 3.27 -0.04 1.48 -1.05 -1.12 -2.19 118.70 119.10 1xkh s GLU 403 Ca -0.05 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 1xkh s GLU 403 Cb -0.13 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 1xkh s GLU 403 CO 0.03 0.56 -0.13 -1.58 0.95 0.00 0.00 175.26 175.09 1xkh s HIS 404 N -1.59 1.31 -0.44 4.83 2.46 -0.33 -2.97 115.29 118.56 1xkh s HIS 404 Ca 0.33 -0.36 -0.15 0.00 0.47 0.00 0.00 55.06 55.35 1xkh s HIS 404 Cb -0.12 -0.91 0.04 0.00 -0.13 0.00 0.00 32.58 31.47 1xkh s HIS 404 CO 0.27 -0.14 0.34 -0.80 -2.47 0.00 0.00 174.74 171.93 1xkh s ASN 405 N 0.18 6.11 0.55 9.88 0.01 -0.49 -1.18 114.94 130.00 1xkh s ASN 405 Ca -0.04 -1.10 -0.12 0.00 -0.71 0.00 0.00 52.86 50.89 1xkh s ASN 405 Cb -0.10 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1xkh s ASN 405 CO 0.01 -0.54 0.96 -0.36 -1.51 0.00 0.00 177.10 175.67 1xkh s PHE 406 N 1.66 3.55 0.03 2.20 0.08 0.40 -4.72 117.98 121.19 1xkh s PHE 406 Ca 0.04 1.26 0.14 0.00 0.12 0.00 0.00 56.93 58.50 1xkh s PHE 406 Cb -0.21 -2.66 0.23 0.00 -0.57 0.00 0.00 43.02 39.81 1xkh s PHE 406 CO 0.08 -0.49 1.52 0.00 -0.10 0.00 0.00 175.22 176.23 1xkh h ALA 407 N 0.26 0.74 0.00 5.36 0.00 -1.98 -3.18 119.26 120.46 1xkh h ALA 407 Ca -0.45 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1xkh h ALA 407 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xkh h ALA 407 CO 0.62 0.71 0.10 0.09 0.00 0.00 0.00 179.25 180.77 1xkh n ASN 408 N -3.39 0.40 0.00 0.00 4.13 -1.26 -4.65 115.26 110.49 1xkh n ASN 408 Ca 0.01 0.64 0.00 0.00 1.68 0.00 0.00 54.58 56.91 1xkh n ASN 408 Cb 0.69 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 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 -1.31 1.52 3.46 7.41 0.00 -1.20 -4.92 105.19 110.14 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 2.44 -0.01 1.61 -0.11 -1.21 -4.36 118.94 115.29 1xkh s TRP 410 Ca 0.00 -0.31 0.02 0.00 1.22 0.00 0.00 56.10 57.03 1xkh s TRP 410 Cb 0.00 -1.26 -0.00 0.00 -1.50 0.00 0.00 33.47 30.71 1xkh s TRP 410 CO 0.00 0.43 -0.06 0.54 -4.62 0.00 0.00 176.95 173.24 1xkh s VAL 411 N -1.36 0.48 -0.09 5.86 0.11 -1.23 0.15 120.40 124.32 1xkh s VAL 411 Ca 0.19 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1xkh s VAL 411 Cb -0.09 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1xkh s VAL 411 CO 0.10 0.15 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.08 1xkh s GLY 412 N -0.02 0.83 -0.06 6.54 0.00 -0.33 -2.05 107.32 112.23 1xkh s GLY 412 Ca 0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 1xkh s GLY 412 CO -0.00 0.45 -0.00 1.25 0.00 0.00 0.00 173.10 174.79 1xkh s LYS 413 N 1.17 2.92 -0.06 2.90 2.20 0.04 -1.19 119.74 127.73 1xkh s LYS 413 Ca -0.05 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1xkh s LYS 413 Cb -0.14 -2.75 0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1xkh s LYS 413 CO -0.02 0.68 -0.07 0.54 -0.36 0.00 0.00 175.35 176.12 1xkh s VAL 414 N -0.94 0.74 -0.01 4.02 0.11 -0.93 -0.72 120.40 122.67 1xkh s VAL 414 Ca 0.15 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1xkh s VAL 414 Cb -0.11 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1xkh s VAL 414 CO 0.04 0.27 -0.05 0.00 -3.33 0.00 0.00 175.10 172.03 1xkh s GLN 415 N 0.91 0.52 0.20 1.54 -2.07 -0.52 -1.70 119.66 118.54 1xkh s GLN 415 Ca -0.11 -0.18 0.07 0.00 -1.82 0.00 0.00 55.36 53.32 1xkh s GLN 415 Cb -0.15 -0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 31.22 1xkh s GLN 415 CO 0.01 0.08 0.04 -0.51 -1.32 0.00 0.00 175.29 173.59 1xkh s LEU 416 N 0.07 3.42 -0.29 2.60 1.43 0.38 -1.68 118.68 124.61 1xkh s LEU 416 Ca -0.00 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1xkh s LEU 416 Cb -0.05 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.25 1xkh s LEU 416 CO -0.00 0.06 0.68 -0.62 0.23 0.00 0.00 176.35 176.69 1xkh s ASP 417 N -3.20 -1.03 -0.21 2.29 -1.08 -0.91 -2.28 116.67 110.26 1xkh s ASP 417 Ca 0.29 1.53 0.02 0.00 -0.52 0.00 0.00 52.55 53.87 1xkh s ASP 417 Cb -0.09 1.78 0.03 0.00 -1.46 0.00 0.00 42.92 43.18 1xkh s ASP 417 CO 0.20 -0.23 -0.17 -2.28 0.52 0.00 0.00 175.17 173.21 1xkh s HIS 418 N 2.17 2.92 0.08 -5.34 5.65 0.49 -0.29 115.29 120.98 1xkh s HIS 418 Ca -0.08 -1.86 0.03 0.00 0.25 0.00 0.00 55.06 53.40 1xkh s HIS 418 Cb -0.08 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1xkh s HIS 418 CO -0.19 -0.83 -0.09 0.21 -0.65 0.00 0.00 174.74 173.19 1xkh s LYS 419 N 1.23 0.76 -0.06 2.88 2.20 -0.57 0.40 119.74 126.59 1xkh s LYS 419 Ca 0.00 -1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 54.48 1xkh s LYS 419 Cb -0.15 -0.39 0.03 0.00 -1.51 0.00 0.00 37.83 35.80 1xkh s LYS 419 CO -0.10 0.05 0.14 0.96 -0.36 0.00 0.00 175.35 176.04 1xkh s ILE 420 N -2.47 -0.03 -0.39 5.43 -4.36 -0.61 -1.20 121.20 117.58 1xkh s ILE 420 Ca 0.03 0.11 0.04 0.00 -0.26 0.00 0.00 60.65 60.58 1xkh s ILE 420 Cb -0.03 -0.22 0.11 0.00 1.25 0.00 0.00 42.46 43.57 1xkh s ILE 420 CO -0.01 0.05 0.11 0.20 0.24 0.00 0.00 174.94 175.52 1xkh s ASN 421 N 0.77 4.64 0.32 4.36 -0.87 -0.73 -2.66 114.94 120.77 1xkh s ASN 421 Ca -0.06 -2.40 0.06 0.00 -1.57 0.00 0.00 52.86 48.90 1xkh s ASN 421 Cb -0.08 -1.63 -0.02 0.00 -0.02 0.00 0.00 41.25 39.51 1xkh s ASN 421 CO -0.04 -0.34 0.42 -0.83 -2.57 0.00 0.00 177.10 173.75 1xkh s GLY 422 N 0.57 1.56 -0.11 0.66 0.00 -0.86 -2.24 107.32 106.89 1xkh s GLY 422 Ca 0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1xkh s GLY 422 CO -0.06 -1.39 0.24 -2.52 0.00 0.00 0.00 173.10 169.37 1xkh s TYR 423 N -2.16 -0.34 -0.75 1.90 -0.85 0.80 -2.40 117.35 113.55 1xkh s TYR 423 Ca 0.42 0.83 -0.02 0.00 -0.52 0.00 0.00 57.07 57.78 1xkh s TYR 423 Cb -0.09 -0.03 0.19 0.00 0.38 0.00 0.00 41.96 42.41 1xkh s TYR 423 CO 0.30 -0.28 0.59 -1.58 -1.52 0.00 0.00 175.55 173.06 1xkh s HIS 424 N 1.84 3.62 -0.47 -3.49 2.46 0.43 -1.14 115.29 118.54 1xkh s HIS 424 Ca -0.04 -2.88 -0.02 0.00 0.47 0.00 0.00 55.06 52.60 1xkh s HIS 424 Cb -0.11 -3.20 0.13 0.00 -0.13 0.00 0.00 32.58 29.27 1xkh s HIS 424 CO -0.08 -0.78 0.26 0.00 -2.47 0.00 0.00 174.74 171.67 1xkh s ALA 425 N -0.70 3.27 -1.10 1.58 0.00 0.39 -1.73 121.76 123.47 1xkh s ALA 425 Ca 0.22 -2.81 -0.06 0.00 0.00 0.00 0.00 51.96 49.31 1xkh s ALA 425 Cb -0.14 -2.43 0.30 0.00 0.00 0.00 0.00 23.12 20.86 1xkh s ALA 425 CO -0.08 -1.90 1.39 -0.35 0.00 0.00 0.00 175.76 174.83 1xkh n PRO 426 N 4.12 4.22 -2.38 0.00 -0.04 -1.18 0.28 135.00 140.02 1xkh n PRO 426 Ca 0.02 -4.51 -0.35 0.00 -0.04 0.00 0.00 63.50 58.62 1xkh n PRO 426 Cb 0.40 -2.53 -0.01 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 -2.33 3.82 -0.23 1.53 1.43 0.27 -3.67 118.68 119.50 1xkh s LEU 427 Ca 0.31 2.09 -0.04 0.00 -1.03 0.00 0.00 54.13 55.46 1xkh s LEU 427 Cb 0.01 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.81 1xkh s LEU 427 CO 0.06 -1.01 0.39 -0.83 0.23 0.00 0.00 176.35 175.19 1xkh s GLY 428 N -1.81 -0.40 0.08 -3.19 0.00 -1.26 -1.35 107.32 99.38 1xkh s GLY 428 Ca 0.70 1.14 -0.20 0.00 0.00 0.00 0.00 44.72 46.35 1xkh s GLY 428 CO 0.25 2.58 0.49 0.00 0.00 0.00 0.00 173.10 176.42 1xkh s ALA 429 N 2.57 -1.23 0.18 3.20 0.00 -1.01 0.89 121.76 126.36 1xkh s ALA 429 Ca 0.08 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 1xkh s ALA 429 Cb -0.14 0.51 -0.06 0.00 0.00 0.00 0.00 23.12 23.43 1xkh s ALA 429 CO -0.15 -0.56 0.42 -1.50 0.00 0.00 0.00 175.76 173.97 1xkh s ILE 430 N -2.92 5.13 -0.26 0.00 2.07 0.43 -1.48 121.20 124.17 1xkh s ILE 430 Ca -0.03 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 1xkh s ILE 430 Cb -0.00 -3.65 0.01 0.00 0.13 0.00 0.00 42.46 38.95 1xkh s ILE 430 CO -0.06 -0.04 0.03 0.61 -1.91 0.00 0.00 174.94 173.58 1xkh n GLY 432 N -0.15 -4.29 3.02 1.50 0.00 -1.26 -4.69 105.19 99.31 1xkh n GLY 432 Ca -0.02 0.56 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 0.75 -1.22 -0.00 1.61 8.00 -1.23 -4.83 116.55 119.64 1xkh n ASP 433 Ca -0.06 -0.27 0.03 0.00 0.71 0.00 0.00 54.79 55.20 1xkh n ASP 433 Cb 0.09 -0.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.23 0.00 0.19 1.24 5.03 -1.18 -3.55 117.44 117.94 1xkh n TRP 434 Ca -0.08 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.45 1xkh n TRP 434 Cb 0.18 -0.05 0.00 0.00 -1.03 0.00 0.00 31.31 30.41 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 -1.33 0.16 0.00 -0.99 -0.02 -1.26 -3.93 135.00 127.63 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 0.13 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.25 -0.13 -0.26 3.55 0.00 -1.24 -4.18 120.51 118.51 1xkh n ALA 436 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1xkh n ALA 436 Cb 0.03 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.12 0.00 -0.04 -1.26 0.88 135.00 134.40 1xkh n PRO 437 Ca 0.00 1.11 -0.01 0.00 -0.04 0.00 0.00 63.50 64.56 1xkh n PRO 437 Cb 0.00 -1.82 0.03 0.00 -0.04 0.00 0.00 33.50 31.67 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 -4.95 2.29 -3.48 3.54 5.75 -1.26 -4.90 116.55 113.54 1xkh n ASP 438 Ca 0.21 -2.15 -0.36 0.00 -0.01 0.00 0.00 54.79 52.49 1xkh n ASP 438 Cb 0.70 -0.53 0.03 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.19 -5.12 -3.62 -1.12 2.85 0.25 -4.97 115.26 103.73 1xkh n ASN 439 Ca 0.05 -0.31 -0.08 0.00 -0.11 0.00 0.00 54.58 54.13 1xkh n ASN 439 Cb 0.49 -1.53 -0.06 0.00 1.24 0.00 0.00 39.78 39.93 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 -1.69 -0.31 -0.09 1.20 1.04 -1.24 -3.69 113.70 108.93 1xkh s SER 440 Ca 0.30 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1xkh s SER 440 Cb -0.03 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1xkh s SER 440 CO 0.85 -0.19 0.20 0.00 0.98 0.00 0.00 173.24 175.08 1xkh s ALA 441 N -0.48 -0.45 0.89 5.32 0.00 -1.23 -3.68 121.76 122.12 1xkh s ALA 441 Ca 0.02 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 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 -0.05 -0.16 1.09 0.15 0.00 0.00 0.00 175.76 176.80 1xkh s LYS 442 N 0.93 1.29 -0.04 0.00 1.02 -1.26 -3.21 119.74 118.48 1xkh s LYS 442 Ca -0.07 0.81 -0.01 0.00 0.02 0.00 0.00 55.97 56.72 1xkh s LYS 442 Cb -0.08 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.45 1xkh s LYS 442 CO -0.05 -2.21 0.07 0.96 -0.92 0.00 0.00 175.35 173.19 1xkh s ILE 443 N -2.94 -0.05 0.27 2.17 -4.36 -0.01 -4.72 121.20 111.55 1xkh s ILE 443 Ca 0.63 0.20 -0.29 0.00 -0.26 0.00 0.00 60.65 60.93 1xkh s ILE 443 Cb -0.18 -0.14 -0.09 0.00 1.25 0.00 0.00 42.46 43.30 1xkh s ILE 443 CO 0.57 0.08 0.99 0.68 0.24 0.00 0.00 174.94 177.50 1xkh s VAL 444 N 1.06 3.92 0.03 8.37 -7.23 -0.55 -4.82 120.40 121.18 1xkh s VAL 444 Ca -0.09 1.87 0.06 0.00 -1.81 0.00 0.00 61.98 62.01 1xkh s VAL 444 Cb -0.12 -4.16 -0.02 0.00 0.56 0.00 0.00 36.38 32.64 1xkh s VAL 444 CO -0.04 0.40 -0.18 0.00 -0.31 0.00 0.00 175.10 174.97 1xkh s ALA 445 N -1.25 1.47 -0.22 1.32 0.00 -1.26 -2.40 121.76 119.43 1xkh s ALA 445 Ca 0.44 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 1xkh s ALA 445 Cb -0.27 -0.28 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1xkh s ALA 445 CO 0.33 0.32 0.90 -0.65 0.00 0.00 0.00 175.76 176.66 1xkh s GLN 446 N -1.05 0.69 -0.07 0.00 -0.21 -0.46 -4.85 119.66 113.71 1xkh s GLN 446 Ca 0.05 0.54 0.05 0.00 0.02 0.00 0.00 55.36 56.02 1xkh s GLN 446 Cb -0.08 0.33 -0.01 0.00 1.00 0.00 0.00 33.01 34.25 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 -0.26 2.67 -0.08 2.91 2.20 -0.32 0.94 119.74 127.81 1xkh s LYS 447 Ca -0.01 -0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1xkh s LYS 447 Cb -0.03 -2.18 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 1xkh s LYS 447 CO -0.00 0.31 -0.05 0.71 -0.36 0.00 0.00 175.35 175.96 1xkh s TYR 448 N 0.01 1.02 0.09 4.03 1.51 0.81 0.15 117.35 124.96 1xkh s TYR 448 Ca -0.08 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.66 1xkh s TYR 448 Cb -0.15 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1xkh s TYR 448 CO 0.05 -0.35 -0.22 0.95 -1.11 0.00 0.00 175.55 174.87 1xkh s THR 449 N 1.53 1.77 0.00 -0.71 -4.23 -1.00 0.15 115.64 113.14 1xkh s THR 449 Ca -0.00 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1xkh s THR 449 Cb -0.13 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1xkh s THR 449 CO -0.04 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1xkh n GLY 450 N 1.31 2.11 3.25 3.99 0.00 -0.29 -1.34 105.19 114.22 1xkh n GLY 450 Ca -0.19 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.54 1.04 -0.26 1.61 2.12 -1.21 0.28 118.70 120.74 1xkh s GLU 451 Ca 0.00 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.01 1xkh s GLU 451 Cb 0.00 -0.82 0.14 0.00 0.26 0.00 0.00 34.13 33.71 1xkh s GLU 451 CO 0.00 0.14 0.36 -0.08 -0.54 0.00 0.00 175.26 175.14 1xkh s THR 452 N -2.53 -0.56 0.61 -1.70 -1.32 -0.95 -3.14 115.64 106.06 1xkh s THR 452 Ca 0.12 -0.22 -0.06 0.00 -1.21 0.00 0.00 61.69 60.31 1xkh s THR 452 Cb -0.03 -0.89 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1xkh s THR 452 CO 0.02 -0.24 0.93 -0.54 -2.21 0.00 0.00 174.62 172.58 1xkh s LYS 453 N 2.50 2.80 -0.28 7.08 1.02 -1.05 -1.77 119.74 130.04 1xkh s LYS 453 Ca 0.11 -0.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.85 1xkh s LYS 453 Cb -0.14 -2.24 0.11 0.00 -0.52 0.00 0.00 37.83 35.03 1xkh s LYS 453 CO -0.23 -0.80 0.89 0.45 -0.92 0.00 0.00 175.35 174.73 1xkh s SER 454 N -4.34 -0.61 0.04 2.83 0.15 -0.34 -1.08 113.70 110.35 1xkh s SER 454 Ca 0.55 1.11 0.05 0.00 0.70 0.00 0.00 55.95 58.36 1xkh s SER 454 Cb -0.11 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 1xkh s SER 454 CO 0.45 -0.19 -0.09 0.20 1.20 0.00 0.00 173.24 174.81 1xkh s ASN 455 N 0.65 4.43 -0.13 5.45 0.01 0.95 -1.52 114.94 124.80 1xkh s ASN 455 Ca -0.02 -0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 51.84 1xkh s ASN 455 Cb -0.05 -0.94 0.06 0.00 0.41 0.00 0.00 41.25 40.74 1xkh s ASN 455 CO -0.08 0.25 0.20 -0.44 -1.51 0.00 0.00 177.10 175.52 1xkh s SER 456 N -1.64 0.87 -0.27 -1.22 0.01 0.61 -0.26 113.70 111.80 1xkh s SER 456 Ca 0.18 0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.57 1xkh s SER 456 Cb -0.11 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1xkh s SER 456 CO 0.09 -0.27 0.12 -0.22 0.41 0.00 0.00 173.24 173.38 1xkh s LEU 457 N 2.33 3.73 -0.15 2.44 2.96 0.15 -2.15 118.68 127.98 1xkh s LEU 457 Ca 0.04 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1xkh s LEU 457 Cb -0.13 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.60 1xkh s LEU 457 CO -0.08 -0.05 0.03 -0.62 -1.32 0.00 0.00 176.35 174.30 1xkh s ASP 458 N 1.67 2.40 0.02 3.68 -1.08 -0.68 0.55 116.67 123.23 1xkh s ASP 458 Ca 0.07 -0.55 0.08 0.00 -0.52 0.00 0.00 52.55 51.63 1xkh s ASP 458 Cb -0.16 -0.51 -0.02 0.00 -1.46 0.00 0.00 42.92 40.77 1xkh s ASP 458 CO 0.07 -0.27 -0.24 0.27 0.52 0.00 0.00 175.17 175.51 1xkh s ILE 459 N 1.93 1.94 -0.15 4.11 -4.36 -0.90 -1.44 121.20 122.33 1xkh s ILE 459 Ca 0.01 -1.19 -0.20 0.00 -0.26 0.00 0.00 60.65 59.01 1xkh s ILE 459 Cb -0.15 -1.64 0.05 0.00 1.25 0.00 0.00 42.46 41.97 1xkh s ILE 459 CO -0.07 0.41 0.52 -0.72 0.24 0.00 0.00 174.94 175.32 1xkh s TYR 460 N -0.70 -0.54 -0.12 1.37 -0.85 0.10 -2.04 117.35 114.57 1xkh s TYR 460 Ca 0.10 1.21 0.01 0.00 -0.52 0.00 0.00 57.07 57.88 1xkh s TYR 460 Cb -0.09 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1xkh s TYR 460 CO 0.01 -0.35 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.01 1xkh s LEU 461 N -0.18 2.48 -0.17 -3.49 1.43 0.19 -0.78 118.68 118.15 1xkh s LEU 461 Ca -0.04 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1xkh s LEU 461 Cb -0.03 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.72 1xkh s LEU 461 CO 0.03 0.16 0.14 0.28 0.23 0.00 0.00 176.35 177.18 1xkh s THR 462 N 0.36 -0.18 0.11 5.49 -1.32 -0.87 -1.87 115.64 117.36 1xkh s THR 462 Ca -0.14 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 59.98 1xkh s THR 462 Cb -0.17 -0.58 0.08 0.00 -1.51 0.00 0.00 72.50 70.32 1xkh s THR 462 CO 0.07 -0.22 1.07 -0.83 -2.21 0.00 0.00 174.62 172.50 1xkh s GLY 463 N 2.21 -0.18 -0.08 6.08 0.00 -0.97 -3.51 107.32 110.87 1xkh s GLY 463 Ca 0.04 0.13 -0.40 0.00 0.00 0.00 0.00 44.72 44.49 1xkh s GLY 463 CO -0.10 0.94 1.39 -1.55 0.00 0.00 0.00 173.10 173.78 1xkh n PRO 464 N -0.56 0.72 -3.91 2.90 -0.04 -1.26 -2.76 135.00 130.09 1xkh n PRO 464 Ca -0.05 0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 63.37 1xkh n PRO 464 Cb 0.61 -1.86 -0.16 0.00 -0.04 0.00 0.00 33.50 32.05 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 1.30 2.34 -0.22 0.54 5.36 0.59 -4.90 117.98 122.99 1xkh s PHE 465 Ca 0.92 -1.79 -0.21 0.00 -0.96 0.00 0.00 56.93 54.88 1xkh s PHE 465 Cb -1.12 -1.66 -0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1xkh s PHE 465 CO 0.58 -0.79 0.67 -1.14 -1.46 0.00 0.00 175.22 173.07 1xkh s GLN 466 N 1.41 4.18 -0.04 10.12 2.00 -1.26 -1.16 119.66 134.91 1xkh s GLN 466 Ca -0.03 0.65 -0.01 0.00 -2.00 0.00 0.00 55.36 53.97 1xkh s GLN 466 Cb -0.19 -3.61 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 1xkh s GLN 466 CO -0.08 -0.34 -0.04 0.34 -0.50 0.00 0.00 175.29 174.66 1xkh n PHE 467 N 5.42 0.00 -3.61 1.67 7.35 -1.26 -5.03 117.46 122.00 1xkh n PHE 467 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.68 1xkh n PHE 467 Cb 0.49 -0.13 -0.01 0.00 0.35 0.00 0.00 39.48 40.17 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 -6.01 -0.08 0.00 -2.13 0.05 -1.26 -5.06 118.68 104.20 1xkh s LEU 468 Ca -0.05 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.09 1xkh s LEU 468 Cb 0.02 1.28 0.00 0.00 -2.05 0.00 0.00 46.19 45.44 1xkh s LEU 468 CO 0.07 -0.19 0.00 0.61 -0.55 0.00 0.00 176.35 176.29 1xkh n GLY 469 N -0.22 0.22 3.32 -3.48 0.00 -1.26 -4.64 105.19 99.13 1xkh n GLY 469 Ca -0.02 0.71 -0.17 0.00 0.00 0.00 0.00 46.02 46.54 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 1.44 0.24 1.61 1.70 -1.26 -5.14 118.95 117.54 1xkh s ARG 470 Ca 0.00 -1.79 -0.30 0.00 -0.47 0.00 0.00 55.73 53.18 1xkh s ARG 470 Cb 0.00 -0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.03 1xkh s ARG 470 CO 0.00 -0.31 1.17 -1.83 -1.08 0.00 0.00 175.30 173.25 1xkh s GLU 471 N -4.01 4.54 0.00 3.89 -1.05 -1.26 -4.40 118.70 116.41 1xkh s GLU 471 Ca 0.37 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 57.08 1xkh s GLU 471 Cb 0.08 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 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 1.75 0.00 -3.85 4.83 8.25 -0.31 -4.87 115.22 121.02 1xkh n HIS 472 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 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 -1.13 0.43 0.40 -0.41 -1.05 -1.23 0.22 118.70 115.92 1xkh s GLU 473 Ca 0.00 -0.25 0.04 0.00 -0.15 0.00 0.00 54.97 54.61 1xkh s GLU 473 Cb 0.00 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1xkh s GLU 473 CO 0.00 -0.10 0.05 -1.17 0.95 0.00 0.00 175.26 174.99 1xkh s LEU 474 N -1.05 2.35 -0.37 1.83 2.96 -1.11 -1.22 118.68 122.07 1xkh s LEU 474 Ca -0.11 -1.48 0.12 0.00 -0.22 0.00 0.00 54.13 52.44 1xkh s LEU 474 Cb -0.06 -0.53 0.42 0.00 0.50 0.00 0.00 46.19 46.51 1xkh s LEU 474 CO 0.01 -0.67 1.24 0.55 -1.32 0.00 0.00 176.35 176.16 1xkh n VAL 475 N -0.91 0.34 -1.42 1.68 3.14 -0.99 -2.28 118.33 117.88 1xkh n VAL 475 Ca -0.07 -1.98 -0.49 0.00 -2.96 0.00 0.00 64.34 58.84 1xkh n VAL 475 Cb 0.66 0.91 -0.04 0.00 -1.06 0.00 0.00 33.84 34.32 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 -0.50 1.72 -3.62 1.55 3.14 -0.78 -4.39 118.33 115.44 1xkh n VAL 476 Ca -0.00 -0.43 -0.08 0.00 -2.96 0.00 0.00 64.34 60.87 1xkh n VAL 476 Cb 0.84 -0.05 -0.06 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.83 -0.10 0.08 7.55 0.00 -0.60 -0.64 107.32 112.78 1xkh s GLY 477 Ca 0.68 2.59 0.04 0.00 0.00 0.00 0.00 44.72 48.02 1xkh s GLY 477 CO 0.56 1.53 -0.10 -1.08 0.00 0.00 0.00 173.10 174.01 1xkh s THR 478 N -0.33 0.90 0.12 0.90 -1.32 -0.87 0.87 115.64 115.91 1xkh s THR 478 Ca 0.03 -1.48 -0.01 0.00 -1.21 0.00 0.00 61.69 59.01 1xkh s THR 478 Cb -0.03 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1xkh s THR 478 CO -0.05 -0.47 0.05 -0.94 -2.21 0.00 0.00 174.62 171.01 1xkh s SER 479 N -2.17 0.32 -0.12 8.08 1.04 -0.70 -2.11 113.70 118.04 1xkh s SER 479 Ca 0.01 -1.17 -0.12 0.00 0.48 0.00 0.00 55.95 55.15 1xkh s SER 479 Cb -0.05 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.39 1xkh s SER 479 CO 0.00 -0.72 0.34 0.00 0.98 0.00 0.00 173.24 173.84 1xkh s ALA 480 N -4.03 -0.84 -0.07 5.32 0.00 0.19 -3.65 121.76 118.67 1xkh s ALA 480 Ca 0.22 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 1xkh s ALA 480 Cb 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.72 1xkh s ALA 480 CO 0.00 -0.17 0.15 0.45 0.00 0.00 0.00 175.76 176.19 1xkh s SER 481 N 0.07 0.44 -0.34 0.00 0.15 -0.89 0.29 113.70 113.42 1xkh s SER 481 Ca -0.01 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.93 1xkh s SER 481 Cb -0.03 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.58 1xkh s SER 481 CO 0.01 -0.21 0.06 -0.36 1.20 0.00 0.00 173.24 173.94 1xkh s PHE 482 N 1.86 3.43 0.47 3.44 0.08 0.65 -2.85 117.98 125.06 1xkh s PHE 482 Ca -0.02 -2.21 0.08 0.00 0.12 0.00 0.00 56.93 54.90 1xkh s PHE 482 Cb -0.12 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 1xkh s PHE 482 CO -0.06 -0.88 0.48 -1.54 -0.10 0.00 0.00 175.22 173.13 1xkh s SER 483 N 1.38 5.05 -0.30 1.36 1.04 -0.78 -0.03 113.70 121.43 1xkh s SER 483 Ca 0.01 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 1xkh s SER 483 Cb -0.21 -0.22 0.19 0.00 0.10 0.00 0.00 66.02 65.89 1xkh s SER 483 CO -0.03 -0.89 0.79 -2.28 0.98 0.00 0.00 173.24 171.82 1xkh s HIS 484 N -2.55 -1.24 -0.26 5.02 5.04 -0.24 -3.28 115.29 117.77 1xkh s HIS 484 Ca 0.49 0.71 -0.08 0.00 -1.54 0.00 0.00 55.06 54.64 1xkh s HIS 484 Cb -0.04 0.21 -0.03 0.00 0.04 0.00 0.00 32.58 32.76 1xkh s HIS 484 CO 0.29 -0.73 0.10 -0.46 -2.34 0.00 0.00 174.74 171.60 1xkh s TRP 485 N 2.86 3.12 0.00 3.88 -0.00 0.14 -2.51 118.94 126.43 1xkh s TRP 485 Ca 0.18 -0.32 0.04 0.00 -0.00 0.00 0.00 56.10 56.00 1xkh s TRP 485 Cb -0.06 -2.27 -0.01 0.00 -0.00 0.00 0.00 33.47 31.12 1xkh s TRP 485 CO -0.24 -0.32 -0.14 -1.83 -0.00 0.00 0.00 176.95 174.41 1xkh s GLU 486 N 1.65 1.07 0.10 5.86 -1.05 -1.19 -0.96 118.70 124.19 1xkh s GLU 486 Ca 0.06 -0.57 -0.26 0.00 -0.15 0.00 0.00 54.97 54.05 1xkh s GLU 486 Cb -0.15 -1.05 0.08 0.00 -0.44 0.00 0.00 34.13 32.57 1xkh s GLU 486 CO 0.05 0.28 1.08 0.20 0.95 0.00 0.00 175.26 177.82 1xkh s GLY 487 N -0.54 -0.23 0.35 -3.83 0.00 0.18 -3.29 107.32 99.97 1xkh s GLY 487 Ca 0.04 0.21 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1xkh s GLY 487 CO -0.00 0.61 -0.02 0.54 0.00 0.00 0.00 173.10 174.23 1xkh s LYS 488 N -2.82 1.79 -0.17 2.90 1.02 -0.45 0.40 119.74 122.41 1xkh s LYS 488 Ca 0.15 -1.97 -0.09 0.00 0.02 0.00 0.00 55.97 54.08 1xkh s LYS 488 Cb 0.00 -1.42 0.06 0.00 -0.52 0.00 0.00 37.83 35.96 1xkh s LYS 488 CO 0.01 -0.01 0.41 -1.12 -0.92 0.00 0.00 175.35 173.72 1xkh s SER 489 N -3.59 -0.52 -0.20 2.83 0.01 -1.01 -2.37 113.70 108.85 1xkh s SER 489 Ca 0.34 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.51 1xkh s SER 489 Cb 0.07 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.12 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 1.43 2.88 0.00 2.43 1.51 0.40 -0.55 117.35 125.44 1xkh s TYR 490 Ca -0.09 -1.78 0.00 0.00 -1.01 0.00 0.00 57.07 54.19 1xkh s TYR 490 Cb -0.08 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1xkh s TYR 490 CO -0.13 -0.82 0.46 -2.67 -1.11 0.00 0.00 175.55 171.28 1xkh n TRP 491 N 4.58 0.00 -2.92 2.71 2.14 -1.26 -1.18 117.44 121.52 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 0.48 0.01 0.01 0.00 -0.81 0.00 0.00 31.31 31.00 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 6.23 -4.73 -0.67 5.03 -1.26 -5.01 115.26 114.85 1xkh n ASN 492 Ca 0.00 -3.36 -0.31 0.00 0.87 0.00 0.00 54.58 51.78 1xkh n ASN 492 Cb 0.50 -1.30 0.12 0.00 -1.02 0.00 0.00 39.78 38.08 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 -2.39 2.90 -0.03 3.41 1.43 -1.26 -3.13 118.68 119.61 1xkh s LEU 493 Ca 0.32 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1xkh s LEU 493 Cb 0.05 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.79 1xkh s LEU 493 CO 0.09 -2.48 -0.02 -0.13 0.23 0.00 0.00 176.35 174.04 1xkh s ARG 494 N -4.81 0.46 -0.81 1.70 0.52 -1.15 -4.81 118.95 110.05 1xkh s ARG 494 Ca 0.63 -0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.80 1xkh s ARG 494 Cb -0.19 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.71 1xkh s ARG 494 CO 0.57 -0.07 0.74 0.09 0.02 0.00 0.00 175.30 176.65 1xkh n ASN 495 N 3.87 -7.18 -3.94 0.23 4.13 -1.26 -4.43 115.26 106.67 1xkh n ASN 495 Ca -0.24 -0.28 -0.12 0.00 1.68 0.00 0.00 54.58 55.62 1xkh n ASN 495 Cb 0.52 -5.10 -0.13 0.00 -1.54 0.00 0.00 39.78 33.53 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 -3.13 0.26 -0.29 3.10 5.04 -1.26 -4.85 117.35 116.21 1xkh s TYR 496 Ca 0.15 -0.21 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 1xkh s TYR 496 Cb -0.02 -0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.20 1xkh s TYR 496 CO 0.71 -0.06 -0.04 0.34 -1.34 0.00 0.00 175.55 175.16 1xkh s ASP 497 N -0.59 4.59 -0.30 4.32 -1.08 -1.26 -5.00 116.67 117.35 1xkh s ASP 497 Ca -0.05 -1.68 0.07 0.00 -0.52 0.00 0.00 52.55 50.37 1xkh s ASP 497 Cb -0.04 -1.59 0.64 0.00 -1.46 0.00 0.00 42.92 40.47 1xkh s ASP 497 CO -0.00 -0.27 1.69 -0.46 0.52 0.00 0.00 175.17 176.65 1xkh n ASN 498 N 4.37 4.31 -4.91 -0.34 0.23 -1.26 -4.93 115.26 112.73 1xkh n ASN 498 Ca -0.07 -3.11 -0.28 0.00 -0.53 0.00 0.00 54.58 50.59 1xkh n ASN 498 Cb 0.42 -0.73 -0.02 0.00 -2.08 0.00 0.00 39.78 37.37 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 -2.69 4.99 -0.05 5.53 -4.23 -1.26 -0.83 115.64 117.10 1xkh s THR 499 Ca 0.48 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1xkh s THR 499 Cb 0.39 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1xkh s THR 499 CO 0.11 -0.49 -0.09 0.28 -0.54 0.00 0.00 174.62 173.90 1xkh s THR 500 N -2.28 0.85 0.00 3.99 -1.32 -1.20 -4.94 115.64 110.75 1xkh s THR 500 Ca 0.45 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1xkh s THR 500 Cb -0.10 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1xkh s THR 500 CO 0.34 0.29 0.19 -0.67 -2.21 0.00 0.00 174.62 172.56 1xkh n ASP 501 N 3.78 0.00 -4.13 8.08 -0.08 -1.26 -3.49 116.55 119.45 1xkh n ASP 501 Ca -0.23 0.19 -0.16 0.00 -1.51 0.00 0.00 54.79 53.08 1xkh n ASP 501 Cb 0.52 -0.03 -0.12 0.00 2.34 0.00 0.00 41.12 43.83 1xkh n ASP 501 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1xkh s ASP 502 N -1.34 1.33 0.00 1.67 1.47 -1.25 -4.20 116.67 114.35 1xkh s ASP 502 Ca 0.00 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.12 1xkh s ASP 502 Cb 0.00 -0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.57 1xkh s ASP 502 CO 0.00 -0.14 0.00 0.33 0.68 0.00 0.00 175.17 176.04 1xkh n PHE 503 N 1.29 0.00 -0.99 2.11 7.35 -1.24 -4.77 117.46 121.20 1xkh n PHE 503 Ca -0.21 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.14 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 -0.40 0.00 -3.14 -2.13 3.06 -1.26 -3.24 119.36 112.25 1xkh n ILE 504 Ca 0.00 -0.46 -0.20 0.00 -2.50 0.00 0.00 62.75 59.60 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 2.90 -5.44 -3.78 9.51 6.94 -1.26 -4.99 115.26 119.13 1xkh n ASN 505 Ca 0.01 0.08 -0.13 0.00 -0.02 0.00 0.00 54.58 54.53 1xkh n ASN 505 Cb 0.48 -1.44 -0.13 0.00 -2.36 0.00 0.00 39.78 36.33 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 -1.13 -0.19 -0.92 -2.53 1.48 -1.20 -4.98 118.94 109.46 1xkh s TRP 506 Ca 0.19 0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 55.73 1xkh s TRP 506 Cb -0.02 0.00 0.34 0.00 -1.16 0.00 0.00 33.47 32.63 1xkh s TRP 506 CO 0.43 -0.14 1.83 -0.25 -4.06 0.00 0.00 176.95 174.77 1xkh n ASP 507 N 3.65 7.19 -2.54 -2.66 8.00 -1.26 -4.70 116.55 124.23 1xkh n ASP 507 Ca -0.20 -3.75 -0.08 0.00 0.71 0.00 0.00 54.79 51.48 1xkh n ASP 507 Cb 0.55 -1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 40.56 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 -0.05 3.38 0.44 0.00 -1.25 -4.41 105.19 103.03 1xkh n GLY 508 Ca 0.48 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.46 5.77 0.13 1.61 -4.77 -1.26 0.41 116.67 116.10 1xkh s ASP 509 Ca 0.08 -1.03 -0.10 0.00 -3.30 0.00 0.00 52.55 48.20 1xkh s ASP 509 Cb -0.05 -2.04 -0.00 0.00 -1.09 0.00 0.00 42.92 39.75 1xkh s ASP 509 CO 0.21 -0.41 0.26 -0.63 0.70 0.00 0.00 175.17 175.31 1xkh s ILE 510 N 1.56 0.10 0.56 2.11 1.01 -1.26 -5.00 121.20 120.27 1xkh s ILE 510 Ca 0.02 -1.20 -0.21 0.00 0.00 0.00 0.00 60.65 59.27 1xkh s ILE 510 Cb -0.19 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1xkh s ILE 510 CO 0.07 -0.44 1.28 -0.83 0.00 0.00 0.00 174.94 175.02 1xkh s GLY 511 N -2.90 2.83 -1.15 6.18 0.00 -1.26 -4.86 107.32 106.16 1xkh s GLY 511 Ca 0.10 1.18 -0.14 0.00 0.00 0.00 0.00 44.72 45.87 1xkh s GLY 511 CO -0.06 1.64 1.33 1.25 0.00 0.00 0.00 173.10 177.27 1xkh s LYS 512 N -3.06 4.03 0.99 2.90 2.20 -1.26 -5.01 119.74 120.53 1xkh s LYS 512 Ca 0.74 -2.56 -0.16 0.00 -0.36 0.00 0.00 55.97 53.63 1xkh s LYS 512 Cb -0.36 -4.96 -0.10 0.00 -1.51 0.00 0.00 37.83 30.91 1xkh s LYS 512 CO 0.41 -1.68 -0.47 -0.35 -0.36 0.00 0.00 175.35 172.90 1xkh n PRO 513 N 5.31 -0.08 -2.99 4.03 -0.04 -1.26 -4.89 135.00 135.08 1xkh n PRO 513 Ca 0.33 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 1xkh n PRO 513 Cb 0.43 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.28 6.54 -0.10 3.54 -1.08 -1.26 -5.01 116.67 118.01 1xkh s ASP 514 Ca 0.45 0.36 -0.30 0.00 -0.52 0.00 0.00 52.55 52.54 1xkh s ASP 514 Cb -0.19 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 1xkh s ASP 514 CO 0.79 -0.69 1.32 0.26 0.52 0.00 0.00 175.17 177.37 1xkh s TRP 515 N 3.00 2.81 0.00 -5.34 0.52 -1.26 -2.93 118.94 115.74 1xkh s TRP 515 Ca 0.30 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.34 1xkh s TRP 515 Cb -0.14 -3.56 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1xkh s TRP 515 CO 0.16 -2.01 0.00 0.41 0.02 0.00 0.00 176.95 175.53 1xkh n GLY 516 N 3.63 -2.44 3.88 0.98 0.00 -1.18 -4.94 105.19 105.11 1xkh n GLY 516 Ca 0.14 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 5.27 -0.00 2.61 -4.23 -1.26 -5.00 115.64 113.03 1xkh s THR 517 Ca 0.00 0.28 -0.38 0.00 -1.18 0.00 0.00 61.69 60.41 1xkh s THR 517 Cb 0.00 -3.57 -0.19 0.00 1.34 0.00 0.00 72.50 70.08 1xkh s THR 517 CO 0.00 0.41 1.02 -2.65 -0.54 0.00 0.00 174.62 172.86 1xkh n PRO 518 N 1.28 0.00 -0.09 3.99 -0.02 -1.26 -4.71 135.00 134.19 1xkh n PRO 518 Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1xkh n PRO 518 Cb 0.53 -1.43 0.15 0.00 -0.02 0.00 0.00 33.50 32.73 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 1.43 3.16 -3.45 2.55 7.64 0.28 -4.87 113.62 120.37 1xkh n SER 519 Ca 0.19 -1.97 0.01 0.00 1.01 0.00 0.00 58.87 58.11 1xkh n SER 519 Cb 0.08 -0.12 -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 -1.70 0.27 0.31 1.43 0.74 -1.19 -4.96 119.66 114.57 1xkh s GLN 520 Ca 0.32 0.61 0.07 0.00 0.05 0.00 0.00 55.36 56.41 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 0.30 -0.08 0.37 0.71 -0.55 0.00 0.00 175.29 176.04 1xkh s TYR 521 N 2.08 3.10 -0.07 1.67 1.51 -1.26 -2.41 117.35 121.96 1xkh s TYR 521 Ca -0.04 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1xkh s TYR 521 Cb -0.05 -1.82 0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1xkh s TYR 521 CO -0.16 0.16 0.14 0.42 -1.11 0.00 0.00 175.55 175.00 1xkh s ILE 522 N -2.18 -0.20 -0.41 2.71 1.01 0.16 -4.95 121.20 117.34 1xkh s ILE 522 Ca 0.41 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.43 1xkh s ILE 522 Cb -0.08 -0.26 0.17 0.00 0.01 0.00 0.00 42.46 42.30 1xkh s ILE 522 CO 0.29 0.14 0.36 -0.62 0.00 0.00 0.00 174.94 175.11 1xkh s ASP 523 N 2.05 1.34 0.03 3.58 -1.08 -1.26 0.49 116.67 121.81 1xkh s ASP 523 Ca 0.01 -2.64 0.08 0.00 -0.52 0.00 0.00 52.55 49.48 1xkh s ASP 523 Cb -0.12 -0.09 -0.02 0.00 -1.46 0.00 0.00 42.92 41.23 1xkh s ASP 523 CO -0.05 -0.19 -0.24 -1.81 0.52 0.00 0.00 175.17 173.40 1xkh s ASP 524 N 0.45 2.86 -0.05 -0.34 1.11 -0.13 -1.86 116.67 118.69 1xkh s ASP 524 Ca 0.29 -0.52 0.01 0.00 0.18 0.00 0.00 52.55 52.50 1xkh s ASP 524 Cb -0.03 -0.27 0.02 0.00 1.07 0.00 0.00 42.92 43.71 1xkh s ASP 524 CO -0.13 0.24 -0.05 -0.54 1.18 0.00 0.00 175.17 175.87 1xkh s LYS 525 N -1.02 0.92 -0.07 8.23 1.02 -0.92 0.23 119.74 128.12 1xkh s LYS 525 Ca 0.10 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 55.98 1xkh s LYS 525 Cb -0.09 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1xkh s LYS 525 CO 0.01 -0.09 -0.12 0.95 -0.92 0.00 0.00 175.35 175.18 1xkh s THR 526 N 0.97 3.24 -0.60 2.17 -4.23 -1.21 -1.62 115.64 114.37 1xkh s THR 526 Ca -0.10 -0.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1xkh s THR 526 Cb -0.14 -2.30 0.16 0.00 1.34 0.00 0.00 72.50 71.56 1xkh s THR 526 CO -0.00 0.58 0.41 -0.60 -0.54 0.00 0.00 174.62 174.47 1xkh s ARG 527 N -0.52 1.99 -0.09 3.99 3.00 0.53 -1.87 118.95 125.99 1xkh s ARG 527 Ca 0.07 -2.89 -0.22 0.00 -1.00 0.00 0.00 55.73 51.70 1xkh s ARG 527 Cb -0.12 -2.93 -0.04 0.00 0.00 0.00 0.00 34.95 31.86 1xkh s ARG 527 CO 0.02 -1.27 0.64 -1.14 0.00 0.00 0.00 175.30 173.55 1xkh s GLN 528 N -0.84 4.40 0.00 5.12 0.74 -1.13 -3.38 119.66 124.57 1xkh s GLN 528 Ca 0.24 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.40 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 0.07 0.00 1.28 -0.55 0.00 0.00 175.29 175.96 1xkh n LEU 529 N 3.84 0.00 0.00 3.68 4.77 -0.92 -2.09 117.00 126.29 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 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1xkh n GLY 530 N 5.00 3.85 3.19 -0.72 0.00 -1.24 -4.12 105.19 111.15 1xkh n GLY 530 Ca 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 1.55 0.00 1.61 0.15 -1.24 -1.72 113.70 114.04 1xkh s SER 531 Ca 0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1xkh s SER 531 Cb 0.00 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1xkh s SER 531 CO 0.00 -0.25 0.00 0.00 1.20 0.00 0.00 173.24 174.19 1xkh n TYR 532 N 0.51 -0.02 -3.61 3.44 0.18 0.25 -2.19 117.16 115.73 1xkh n TYR 532 Ca -0.16 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.51 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 -1.48 0.00 -0.07 -3.48 2.01 -1.26 -1.56 115.64 109.80 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 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 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 -0.26 2.04 -0.71 7.40 0.00 0.38 -2.34 121.76 128.27 1xkh s ALA 535 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1xkh s ALA 535 Cb -0.03 -0.68 0.23 0.00 0.00 0.00 0.00 23.12 22.63 1xkh s ALA 535 CO -0.01 0.35 0.73 -2.13 0.00 0.00 0.00 175.76 174.70 1xkh n ARG 536 N 3.16 2.47 -2.07 0.00 0.00 -0.36 -1.72 116.66 118.15 1xkh n ARG 536 Ca -0.18 -4.60 -0.31 0.00 -0.00 0.00 0.00 57.85 52.76 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 -2.12 3.58 -0.20 -0.14 0.08 -0.11 -3.58 117.98 115.49 1xkh s PHE 537 Ca 0.34 1.31 -0.05 0.00 0.12 0.00 0.00 56.93 58.65 1xkh s PHE 537 Cb 0.07 -2.71 0.07 0.00 -0.57 0.00 0.00 43.02 39.88 1xkh s PHE 537 CO -0.06 -0.57 0.10 0.54 -0.10 0.00 0.00 175.22 175.12 1xkh s ASN 538 N -3.86 2.68 0.30 1.36 6.03 -1.26 0.26 114.94 120.44 1xkh s ASN 538 Ca 0.56 -0.80 0.12 0.00 -1.03 0.00 0.00 52.86 51.71 1xkh s ASN 538 Cb -0.11 -0.29 0.44 0.00 -3.03 0.00 0.00 41.25 38.26 1xkh s ASN 538 CO 0.47 -0.37 1.65 0.58 -2.03 0.00 0.00 177.10 177.40 1xkh h VAL 539 N 6.42 1.32 -4.09 3.54 2.07 -1.82 -3.45 116.25 120.24 1xkh h VAL 539 Ca -0.16 -1.96 -0.15 0.00 0.82 0.00 0.00 66.70 65.24 1xkh h VAL 539 Cb 1.11 2.08 -0.18 0.00 -1.52 0.00 0.00 31.29 32.78 1xkh h VAL 539 CO 0.33 0.55 -0.69 -0.89 0.02 0.00 0.00 177.57 176.89 1xkh s THR 540 N -3.63 0.20 0.00 2.57 2.01 -1.07 -5.01 115.64 110.71 1xkh s THR 540 Ca -0.01 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.62 1xkh s THR 540 Cb 0.12 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1xkh s THR 540 CO 0.75 -0.74 0.44 0.47 -0.69 0.00 0.00 174.62 174.85 1xkh n ASP 541 N 0.85 1.29 0.04 3.53 8.00 -1.26 -2.21 116.55 126.79 1xkh n ASP 541 Ca -0.19 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1xkh n ASP 541 Cb 0.58 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.37 -4.63 -2.24 8.00 -1.26 -4.95 116.55 112.06 1xkh n ASP 542 Ca 0.00 0.13 -0.40 0.00 0.71 0.00 0.00 54.79 55.23 1xkh n ASP 542 Cb 0.19 0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.77 1xkh n ASP 542 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xkh s LEU 543 N -5.37 4.08 0.07 0.64 0.20 -0.94 -2.78 118.68 114.59 1xkh s LEU 543 Ca 0.00 0.66 0.10 0.00 0.69 0.00 0.00 54.13 55.58 1xkh s LEU 543 Cb 0.00 -2.78 -0.03 0.00 -0.43 0.00 0.00 46.19 42.95 1xkh s LEU 543 CO 0.00 -0.31 -0.27 0.20 -0.29 0.00 0.00 176.35 175.69 1xkh s ASN 544 N 1.42 3.23 0.04 3.68 0.01 -0.45 -2.25 114.94 120.62 1xkh s ASN 544 Ca 0.25 -0.64 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 1xkh s ASN 544 Cb -0.16 -0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 1xkh s ASN 544 CO 0.09 0.23 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.67 1xkh s LEU 545 N -1.53 3.38 -0.64 0.60 2.96 0.72 -1.99 118.68 122.19 1xkh s LEU 545 Ca 0.13 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1xkh s LEU 545 Cb -0.10 -2.03 0.16 0.00 0.50 0.00 0.00 46.19 44.72 1xkh s LEU 545 CO 0.03 0.23 0.42 -0.36 -1.32 0.00 0.00 176.35 175.36 1xkh s PHE 546 N -1.16 3.44 -0.14 5.38 0.08 0.64 -0.93 117.98 125.29 1xkh s PHE 546 Ca 0.22 -3.23 -0.10 0.00 0.12 0.00 0.00 56.93 53.93 1xkh s PHE 546 Cb -0.11 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 1xkh s PHE 546 CO 0.13 -0.64 0.19 -0.51 -0.10 0.00 0.00 175.22 174.29 1xkh s LEU 547 N -0.95 4.32 0.00 -0.37 1.43 -0.70 -2.15 118.68 120.26 1xkh s LEU 547 Ca 0.22 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1xkh s LEU 547 Cb -0.14 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1xkh s LEU 547 CO -0.09 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1xkh n GLY 548 N 2.70 2.15 3.81 -3.19 0.00 -0.70 0.14 105.19 110.11 1xkh n GLY 548 Ca -0.17 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 0.17 107.32 106.33 1xkh s GLY 549 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 1xkh s GLY 549 CO 0.00 -0.25 0.05 -1.60 0.00 0.00 0.00 173.10 171.29 1xkh s ARG 550 N -2.96 0.32 0.75 2.90 3.52 0.27 -4.45 118.95 119.30 1xkh s ARG 550 Ca 0.14 -0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1xkh s ARG 550 Cb -0.05 -1.36 0.12 0.00 -1.56 0.00 0.00 34.95 32.10 1xkh s ARG 550 CO 0.10 -0.48 1.05 0.54 -0.81 0.00 0.00 175.30 175.69 1xkh s VAL 551 N 2.04 2.18 -0.16 7.11 0.11 -0.93 -0.47 120.40 130.28 1xkh s VAL 551 Ca 0.03 -0.41 -0.34 0.00 -2.93 0.00 0.00 61.98 58.32 1xkh s VAL 551 Cb -0.14 -2.77 0.14 0.00 -1.53 0.00 0.00 36.38 32.07 1xkh s VAL 551 CO -0.06 0.00 1.24 0.54 -3.33 0.00 0.00 175.10 173.48 1xkh s VAL 552 N -3.28 0.00 -0.02 2.04 0.11 -0.85 -3.72 120.40 114.67 1xkh s VAL 552 Ca 0.66 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.64 1xkh s VAL 552 Cb -0.07 -1.20 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 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 -2.33 -0.04 -0.04 3.54 1.47 -1.26 -1.57 116.67 116.44 1xkh s ASP 553 Ca 0.10 0.07 0.05 0.00 1.18 0.00 0.00 52.55 53.96 1xkh s ASP 553 Cb 0.00 0.13 -0.01 0.00 -0.34 0.00 0.00 42.92 42.71 1xkh s ASP 553 CO -0.04 -0.06 -0.20 -0.47 0.68 0.00 0.00 175.17 175.08 1xkh s TYR 554 N -0.14 1.91 -0.09 2.11 6.14 0.44 -2.15 117.35 125.57 1xkh s TYR 554 Ca -0.02 -0.51 -0.03 0.00 0.64 0.00 0.00 57.07 57.15 1xkh s TYR 554 Cb -0.01 -1.26 0.04 0.00 0.42 0.00 0.00 41.96 41.15 1xkh s TYR 554 CO 0.00 -0.14 0.09 0.50 0.64 0.00 0.00 175.55 176.64 1xkh s ARG 555 N -0.14 -0.01 -0.58 4.97 3.52 -1.22 -0.27 118.95 125.23 1xkh s ARG 555 Ca -0.01 0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 1xkh s ARG 555 Cb -0.11 -0.82 0.36 0.00 -1.56 0.00 0.00 34.95 32.82 1xkh s ARG 555 CO 0.02 -0.42 1.06 1.55 -0.81 0.00 0.00 175.30 176.70 1xkh n VAL 556 N 5.30 3.09 -1.58 7.11 3.14 -0.94 0.20 118.33 134.66 1xkh n VAL 556 Ca -0.04 -5.42 -0.41 0.00 -2.96 0.00 0.00 64.34 55.51 1xkh n VAL 556 Cb 0.50 -1.37 -0.03 0.00 -1.06 0.00 0.00 33.84 31.87 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 -0.30 0.18 0.00 1.55 -2.24 -0.64 -4.45 114.28 108.38 1xkh n THR 557 Ca 0.34 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xkh n THR 557 Cb 0.45 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 66.06 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 5.90 4.89 0.41 3.38 0.00 -1.26 -2.17 105.19 116.33 1xkh n GLY 558 Ca 0.33 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 1.73 -4.48 0.99 0.00 -0.78 -4.91 117.00 109.56 1xkh n LEU 559 Ca 0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 56.01 54.92 1xkh n LEU 559 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 1xkh n LEU 559 CO 0.00 0.33 -0.44 0.20 0.00 0.00 0.00 177.39 177.47 1xkh s ASN 560 N -1.49 3.48 0.00 1.96 -0.87 -1.26 -4.97 114.94 111.79 1xkh s ASN 560 Ca 0.13 -1.08 0.00 0.00 -1.57 0.00 0.00 52.86 50.34 1xkh s ASN 560 Cb 0.11 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 1xkh s ASN 560 CO 0.28 -0.07 0.16 -2.65 -2.57 0.00 0.00 177.10 172.25 1xkh n PRO 561 N -0.64 0.00 -0.79 -0.60 -0.02 -1.26 -4.64 135.00 127.05 1xkh n PRO 561 Ca -0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.12 1xkh n PRO 561 Cb 0.61 -0.18 -0.04 0.00 -0.02 0.00 0.00 33.50 33.87 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 0.78 0.00 -3.95 3.45 -1.04 -1.26 -4.96 114.28 107.29 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 -0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 68.47 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 0.07 0.10 0.13 12.58 -4.36 -1.26 -5.08 121.20 123.38 1xkh s ILE 563 Ca 0.48 -0.82 -0.24 0.00 -0.26 0.00 0.00 60.65 59.81 1xkh s ILE 563 Cb -0.67 -0.30 0.07 0.00 1.25 0.00 0.00 42.46 42.81 1xkh s ILE 563 CO 0.30 -0.45 0.61 0.00 0.24 0.00 0.00 174.94 175.64 1xkh s ARG 564 N -1.39 1.25 0.05 0.37 1.70 -1.26 -2.22 118.95 117.44 1xkh s ARG 564 Ca -0.15 -0.38 0.02 0.00 -0.47 0.00 0.00 55.73 54.75 1xkh s ARG 564 Cb -0.09 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 1xkh s ARG 564 CO -0.00 -0.53 -0.08 -1.21 -1.08 0.00 0.00 175.30 172.40 1xkh s GLU 565 N -3.44 0.56 0.06 3.89 0.41 0.63 -4.94 118.70 115.87 1xkh s GLU 565 Ca -0.00 -0.81 -0.18 0.00 -0.41 0.00 0.00 54.97 53.56 1xkh s GLU 565 Cb -0.01 -0.30 0.04 0.00 -1.78 0.00 0.00 34.13 32.08 1xkh s GLU 565 CO -0.10 0.05 0.43 0.45 -0.49 0.00 0.00 175.26 175.60 1xkh s SER 566 N -1.71 -0.31 -0.60 -0.19 0.15 -1.26 0.17 113.70 109.95 1xkh s SER 566 Ca -0.08 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1xkh s SER 566 Cb -0.09 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1xkh s SER 566 CO 0.00 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1xkh n GLY 567 N 0.34 0.70 3.76 9.45 0.00 -0.61 -4.94 105.19 113.89 1xkh n GLY 567 Ca -0.18 -0.17 -0.39 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 -2.06 4.67 -0.22 1.61 6.06 -1.11 -4.84 118.95 123.06 1xkh s ARG 568 Ca 0.00 1.58 -0.07 0.00 -2.50 0.00 0.00 55.73 54.74 1xkh s ARG 568 Cb 0.00 -3.10 -0.03 0.00 0.06 0.00 0.00 34.95 31.88 1xkh s ARG 568 CO 0.00 0.30 0.07 0.12 -2.50 0.00 0.00 175.30 173.29 1xkh s PHE 569 N -1.29 3.14 -0.25 5.12 5.36 -1.26 -2.01 117.98 126.79 1xkh s PHE 569 Ca 0.45 -0.20 -0.06 0.00 -0.96 0.00 0.00 56.93 56.16 1xkh s PHE 569 Cb -0.27 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.24 1xkh s PHE 569 CO 0.34 -0.14 0.04 0.42 -1.46 0.00 0.00 175.22 174.41 1xkh s ILE 570 N 1.09 3.87 0.14 3.12 1.01 0.39 -4.98 121.20 125.84 1xkh s ILE 570 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1xkh s ILE 570 Cb -0.14 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1xkh s ILE 570 CO 0.03 0.28 0.30 -2.16 0.00 0.00 0.00 174.94 173.39 1xkh s PRO 571 N 1.53 3.46 -0.20 2.79 0.04 -1.26 0.93 135.00 142.30 1xkh s PRO 571 Ca 0.05 -0.49 -0.02 0.00 0.04 0.00 0.00 61.00 60.58 1xkh s PRO 571 Cb -0.16 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.49 1xkh s PRO 571 CO 0.01 0.51 0.01 -0.47 0.04 0.00 0.00 177.00 177.10 1xkh s TYR 572 N -1.72 1.35 -0.04 0.56 5.04 0.46 -3.53 117.35 119.46 1xkh s TYR 572 Ca 0.36 -1.04 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 1xkh s TYR 572 Cb -0.11 -1.15 0.03 0.00 0.35 0.00 0.00 41.96 41.07 1xkh s TYR 572 CO 0.28 -0.63 0.07 0.08 -1.34 0.00 0.00 175.55 174.01 1xkh s VAL 573 N 1.75 -0.12 0.29 3.14 1.01 -1.23 -1.71 120.40 123.52 1xkh s VAL 573 Ca -0.02 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1xkh s VAL 573 Cb -0.17 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1xkh s VAL 573 CO -0.07 0.16 0.67 -0.83 0.00 0.00 0.00 175.10 175.03 1xkh s GLY 574 N 2.05 0.14 -0.20 4.51 0.00 -0.91 -1.02 107.32 111.89 1xkh s GLY 574 Ca 0.03 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 1xkh s GLY 574 CO -0.03 -0.25 0.72 0.00 0.00 0.00 0.00 173.10 173.54 1xkh s ALA 575 N -3.72 -1.79 -0.03 3.20 0.00 -1.15 0.23 121.76 118.50 1xkh s ALA 575 Ca 0.14 1.78 0.07 0.00 0.00 0.00 0.00 51.96 53.95 1xkh s ALA 575 Cb -0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1xkh s ALA 575 CO 0.08 -0.35 -0.24 0.54 0.00 0.00 0.00 175.76 175.80 1xkh s VAL 576 N -0.17 2.23 -0.11 0.00 0.11 -0.84 -2.77 120.40 118.85 1xkh s VAL 576 Ca -0.04 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.01 1xkh s VAL 576 Cb -0.03 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1xkh s VAL 576 CO 0.04 0.58 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.72 1xkh s TYR 577 N -0.52 2.28 -0.63 1.54 5.04 0.22 -1.34 117.35 123.94 1xkh s TYR 577 Ca 0.07 -1.02 -0.25 0.00 -2.44 0.00 0.00 57.07 53.42 1xkh s TYR 577 Cb -0.11 -1.57 0.04 0.00 0.35 0.00 0.00 41.96 40.67 1xkh s TYR 577 CO 0.00 -0.47 1.08 -0.51 -1.34 0.00 0.00 175.55 174.32 1xkh s ASP 578 N 0.69 6.27 0.00 4.32 1.01 -1.12 -0.84 116.67 127.00 1xkh s ASP 578 Ca -0.12 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.70 1xkh s ASP 578 Cb -0.16 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1xkh s ASP 578 CO 0.03 -1.48 0.00 0.18 0.21 0.00 0.00 175.17 174.10 1xkh n LEU 579 N 8.20 0.00 -4.70 1.23 4.77 -1.21 -4.93 117.00 120.35 1xkh n LEU 579 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 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 0.67 0.00 0.71 0.21 -1.33 0.00 0.00 177.39 177.65 1xkh s ASN 580 N -1.23 1.47 0.37 -1.43 3.84 -1.24 -4.87 114.94 111.85 1xkh s ASN 580 Ca 0.00 0.44 0.27 0.00 0.21 0.00 0.00 52.86 53.78 1xkh s ASN 580 Cb 0.00 -0.56 1.21 0.00 -0.55 0.00 0.00 41.25 41.35 1xkh s ASN 580 CO 0.00 -3.77 1.81 0.44 -2.79 0.00 0.00 177.10 172.80 1xkh h ASP 581 N -2.35 0.00 0.00 -4.21 3.32 -2.00 -3.38 116.42 107.80 1xkh h ASP 581 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1xkh h ASP 581 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1xkh h ASP 581 CO 0.32 0.00 0.00 0.41 -1.72 0.00 0.00 179.24 178.25 1xkh n THR 582 N -2.50 0.00 -0.52 0.35 -1.04 -1.26 -4.94 114.28 104.36 1xkh n THR 582 Ca 0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.73 1xkh n THR 582 Cb 0.20 -0.28 0.24 0.00 -1.82 0.00 0.00 70.33 68.66 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 -0.70 -3.47 -1.42 4.01 -1.26 -4.08 117.16 110.23 1xkh n TYR 583 Ca 0.00 -0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 1xkh n TYR 583 Cb 0.00 -1.78 -0.02 0.00 -0.31 0.00 0.00 39.34 37.23 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 -2.46 -0.46 0.11 7.72 0.01 -0.29 -3.34 113.70 114.99 1xkh s SER 584 Ca 0.68 0.03 0.08 0.00 1.31 0.00 0.00 55.95 58.05 1xkh s SER 584 Cb -0.25 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1xkh s SER 584 CO 0.63 -0.76 -0.20 0.68 0.41 0.00 0.00 173.24 174.00 1xkh s VAL 585 N -3.29 1.68 0.12 3.43 -7.23 -0.02 -0.83 120.40 114.25 1xkh s VAL 585 Ca 0.03 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1xkh s VAL 585 Cb -0.01 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1xkh s VAL 585 CO -0.10 -0.13 0.11 -0.72 -0.31 0.00 0.00 175.10 173.96 1xkh s TYR 586 N -1.35 0.58 0.04 2.82 1.13 -0.23 0.69 117.35 121.03 1xkh s TYR 586 Ca 0.08 -1.00 -0.11 0.00 -1.41 0.00 0.00 57.07 54.63 1xkh s TYR 586 Cb -0.09 -0.30 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1xkh s TYR 586 CO 0.04 -0.54 0.23 0.00 -2.51 0.00 0.00 175.55 172.77 1xkh s ALA 587 N -3.98 -0.46 -0.01 9.51 0.00 -1.11 -1.74 121.76 123.96 1xkh s ALA 587 Ca 0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1xkh s ALA 587 Cb 0.06 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.53 1xkh s ALA 587 CO -0.03 -0.36 0.69 -1.54 0.00 0.00 0.00 175.76 174.52 1xkh s SER 588 N -2.00 -0.61 -0.60 0.00 1.04 0.61 -2.95 113.70 109.19 1xkh s SER 588 Ca -0.06 0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.94 1xkh s SER 588 Cb -0.02 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.82 1xkh s SER 588 CO -0.03 -0.67 0.49 0.00 0.98 0.00 0.00 173.24 174.00 1xkh n TYR 589 N 0.58 1.92 -2.78 5.02 9.36 -0.19 -1.49 117.16 129.58 1xkh n TYR 589 Ca -0.18 -3.97 -0.32 0.00 3.32 0.00 0.00 57.90 56.76 1xkh n TYR 589 Cb 0.59 -0.35 -0.05 0.00 -0.63 0.00 0.00 39.34 38.90 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 -1.15 4.62 0.26 2.97 -4.23 -1.08 -3.65 115.64 113.38 1xkh s THR 590 Ca 0.30 1.01 0.01 0.00 -1.18 0.00 0.00 61.69 61.83 1xkh s THR 590 Cb 0.02 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1xkh s THR 590 CO -0.16 -0.46 0.10 -0.62 -0.54 0.00 0.00 174.62 172.95 1xkh s ASP 591 N -2.76 1.15 0.00 3.99 2.15 -1.23 -1.27 116.67 118.70 1xkh s ASP 591 Ca 0.56 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 52.14 1xkh s ASP 591 Cb -0.10 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1xkh s ASP 591 CO 0.25 -0.75 0.00 0.00 -0.17 0.00 0.00 175.17 174.50 1xkh n ILE 592 N -0.46 0.00 -0.53 4.11 3.06 -0.82 -2.00 119.36 122.72 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 -0.21 0.00 -3.79 9.51 -1.74 -1.26 -1.02 117.46 118.94 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 4.20 3.80 0.93 3.97 0.04 -1.26 -0.20 135.00 146.47 1xkh s PRO 595 Ca 0.00 -0.41 -0.12 0.00 0.04 0.00 0.00 61.00 60.51 1xkh s PRO 595 Cb 0.00 -3.36 0.15 0.00 0.04 0.00 0.00 34.50 31.33 1xkh s PRO 595 CO 0.00 -0.07 1.09 -1.14 0.04 0.00 0.00 177.00 176.93 1xkh s GLN 596 N 1.32 0.99 0.73 4.56 0.74 -1.26 -4.93 119.66 121.81 1xkh s GLN 596 Ca 0.05 0.70 -0.11 0.00 0.05 0.00 0.00 55.36 56.05 1xkh s GLN 596 Cb -0.15 -1.79 0.03 0.00 1.10 0.00 0.00 33.01 32.21 1xkh s GLN 596 CO 0.04 -2.39 1.07 -0.51 -0.55 0.00 0.00 175.29 172.96 1xkh s ASP 597 N -3.46 5.04 0.33 6.67 1.11 -1.26 -4.96 116.67 120.14 1xkh s ASP 597 Ca 0.64 1.49 0.26 0.00 0.18 0.00 0.00 52.55 55.12 1xkh s ASP 597 Cb -0.18 -2.31 1.01 0.00 1.07 0.00 0.00 42.92 42.51 1xkh s ASP 597 CO 0.57 -1.64 1.78 0.28 1.18 0.00 0.00 175.17 177.34 1xkh h SER 598 N -0.86 0.00 -0.14 0.27 0.02 -1.96 -3.18 113.55 107.70 1xkh h SER 598 Ca -0.45 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1xkh h SER 598 Cb 1.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 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 -0.23 -2.71 3.45 -0.00 -2.01 -3.41 115.95 111.05 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 0.50 0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 29.76 1xkh h TRP 599 CO 0.00 -0.15 1.08 0.71 -0.00 0.00 0.00 178.44 180.09 1xkh s TYR 600 N -6.18 2.14 0.07 0.49 2.02 -1.20 -4.84 117.35 109.85 1xkh s TYR 600 Ca -0.14 0.45 -0.07 0.00 -0.37 0.00 0.00 57.07 56.94 1xkh s TYR 600 Cb 0.10 -3.88 -0.01 0.00 -0.40 0.00 0.00 41.96 37.77 1xkh s TYR 600 CO 0.68 -3.19 0.14 1.03 -1.57 0.00 0.00 175.55 172.64 1xkh s ARG 601 N 4.23 0.77 0.51 -0.62 1.81 -1.26 -3.55 118.95 120.83 1xkh s ARG 601 Ca 0.70 -0.97 0.07 0.00 -1.72 0.00 0.00 55.73 53.82 1xkh s ARG 601 Cb -0.28 0.30 0.03 0.00 -0.45 0.00 0.00 34.95 34.56 1xkh s ARG 601 CO 0.27 -0.22 0.52 0.16 -0.68 0.00 0.00 175.30 175.35 1xkh s ASP 602 N -2.75 4.96 0.14 0.23 -4.77 -0.33 -0.44 116.67 113.69 1xkh s ASP 602 Ca 0.04 -0.93 0.07 0.00 -3.30 0.00 0.00 52.55 48.43 1xkh s ASP 602 Cb 0.05 0.04 0.48 0.00 -1.09 0.00 0.00 42.92 42.39 1xkh s ASP 602 CO -0.10 -1.03 0.59 -1.54 0.70 0.00 0.00 175.17 173.79 1xkh n SER 603 N -1.85 0.11 0.00 2.11 3.41 -1.26 -1.84 113.62 114.29 1xkh n SER 603 Ca 0.06 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1xkh n SER 603 Cb 0.62 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.88 0.00 0.00 4.04 2.88 -1.26 -4.98 113.62 110.42 1xkh n SER 604 Ca 0.14 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1xkh n SER 604 Cb 0.46 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -4.40 -3.46 5.15 -0.77 -4.34 115.26 106.68 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 3.28 -0.58 1.20 -0.14 -1.26 -4.84 119.74 117.41 1xkh s LYS 606 Ca 0.00 -0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 53.68 1xkh s LYS 606 Cb 0.00 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1xkh s LYS 606 CO 0.00 0.28 2.06 -0.48 -0.76 0.00 0.00 175.35 176.45 1xkh s LEU 607 N 0.17 3.32 -0.02 3.17 2.34 -1.25 -1.19 118.68 125.23 1xkh s LEU 607 Ca -0.07 0.58 -0.13 0.00 0.06 0.00 0.00 54.13 54.57 1xkh s LEU 607 Cb -0.15 -2.52 -0.06 0.00 -0.56 0.00 0.00 46.19 42.90 1xkh s LEU 607 CO 0.05 -2.57 0.35 0.18 -1.06 0.00 0.00 176.35 173.29 1xkh n LEU 608 N 13.93 0.05 -4.02 1.48 4.77 -1.23 -4.72 117.00 127.26 1xkh n LEU 608 Ca 0.26 0.36 -0.36 0.00 -0.03 0.00 0.00 56.01 56.24 1xkh n LEU 608 Cb 0.53 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1xkh n LEU 608 CO 0.71 -0.54 -1.34 -0.62 -1.33 0.00 0.00 177.39 174.27 1xkh n GLU 609 N 0.56 -0.02 -1.66 3.23 4.71 -1.26 -4.69 120.64 121.50 1xkh n GLU 609 Ca 0.07 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.78 1xkh n GLU 609 Cb 0.02 -1.04 -0.01 0.00 -1.01 0.00 0.00 31.44 29.39 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 2.28 1.90 -1.99 3.49 -0.04 -1.26 -4.75 135.00 134.62 1xkh n PRO 610 Ca -0.02 0.67 -0.43 0.00 -0.04 0.00 0.00 63.50 63.68 1xkh n PRO 610 Cb 0.57 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 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 -0.30 5.84 0.35 3.54 -1.08 -1.26 -4.78 116.67 118.97 1xkh s ASP 611 Ca 0.58 1.25 0.09 0.00 -0.52 0.00 0.00 52.55 53.95 1xkh s ASP 611 Cb -0.62 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.26 1xkh s ASP 611 CO 0.60 -1.76 -0.02 -0.70 0.52 0.00 0.00 175.17 173.81 1xkh s GLU 612 N 5.76 1.98 -0.13 4.34 2.12 -1.10 -4.45 118.70 127.22 1xkh s GLU 612 Ca 0.79 -1.85 -0.32 0.00 0.36 0.00 0.00 54.97 53.95 1xkh s GLU 612 Cb -0.22 -1.83 0.13 0.00 0.26 0.00 0.00 34.13 32.47 1xkh s GLU 612 CO 0.33 0.11 1.08 0.20 -0.54 0.00 0.00 175.26 176.44 1xkh s GLY 613 N -3.68 -0.34 -0.01 -1.50 0.00 -0.19 -0.76 107.32 100.83 1xkh s GLY 613 Ca 0.34 1.48 0.02 0.00 0.00 0.00 0.00 44.72 46.56 1xkh s GLY 613 CO 0.18 0.53 -0.07 1.20 0.00 0.00 0.00 173.10 174.95 1xkh s GLN 614 N -2.49 0.58 -0.39 2.90 1.11 -1.00 -1.95 119.66 118.41 1xkh s GLN 614 Ca 0.07 -0.23 -0.14 0.00 0.01 0.00 0.00 55.36 55.07 1xkh s GLN 614 Cb -0.01 -0.57 0.02 0.00 -1.01 0.00 0.00 33.01 31.44 1xkh s GLN 614 CO -0.06 0.12 0.27 1.21 0.01 0.00 0.00 175.29 176.85 1xkh s ASN 615 N -0.05 6.03 -0.36 5.90 2.47 -0.40 -1.86 114.94 126.66 1xkh s ASN 615 Ca 0.01 -0.86 -0.21 0.00 0.42 0.00 0.00 52.86 52.23 1xkh s ASN 615 Cb -0.04 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.63 1xkh s ASN 615 CO -0.00 -0.41 0.64 -0.31 -3.72 0.00 0.00 177.10 173.30 1xkh s TYR 616 N 1.66 3.14 0.07 0.43 2.02 0.38 -2.62 117.35 122.43 1xkh s TYR 616 Ca 0.05 0.34 0.06 0.00 -0.37 0.00 0.00 57.07 57.14 1xkh s TYR 616 Cb -0.19 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 1xkh s TYR 616 CO 0.09 -0.65 -0.16 -2.00 -1.57 0.00 0.00 175.55 171.26 1xkh s GLU 617 N 2.74 0.96 -0.26 -0.62 2.12 -0.56 0.59 118.70 123.68 1xkh s GLU 617 Ca 0.25 -0.96 -0.10 0.00 0.36 0.00 0.00 54.97 54.52 1xkh s GLU 617 Cb -0.14 -1.04 0.10 0.00 0.26 0.00 0.00 34.13 33.31 1xkh s GLU 617 CO 0.15 0.24 0.58 -1.50 -0.54 0.00 0.00 175.26 174.20 1xkh s ILE 618 N -1.11 -0.61 0.30 -3.70 2.07 -0.04 -0.28 121.20 117.84 1xkh s ILE 618 Ca 0.02 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.11 1xkh s ILE 618 Cb -0.09 -0.88 0.04 0.00 0.13 0.00 0.00 42.46 41.66 1xkh s ILE 618 CO 0.02 0.02 0.79 -0.83 -1.91 0.00 0.00 174.94 173.04 1xkh s GLY 619 N 2.42 0.10 -0.04 1.50 0.00 -0.71 0.12 107.32 110.70 1xkh s GLY 619 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1xkh s GLY 619 CO -0.17 0.00 -0.17 -1.50 0.00 0.00 0.00 173.10 171.26 1xkh s ILE 620 N -3.08 1.40 0.43 0.90 2.07 -0.50 -1.07 121.20 121.35 1xkh s ILE 620 Ca 0.14 -0.70 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 1xkh s ILE 620 Cb -0.05 -1.21 -0.03 0.00 0.13 0.00 0.00 42.46 41.30 1xkh s ILE 620 CO 0.08 0.41 0.23 -0.54 -1.91 0.00 0.00 174.94 173.21 1xkh s LYS 621 N 0.03 2.28 -0.29 3.50 1.02 -0.01 -1.90 119.74 124.36 1xkh s LYS 621 Ca -0.03 -1.84 -0.14 0.00 0.02 0.00 0.00 55.97 53.97 1xkh s LYS 621 Cb -0.11 -2.04 0.14 0.00 -0.52 0.00 0.00 37.83 35.30 1xkh s LYS 621 CO 0.02 -0.20 0.87 0.20 -0.92 0.00 0.00 175.35 175.32 1xkh s GLY 622 N -3.99 -0.32 0.15 -3.33 0.00 0.36 -1.14 107.32 99.06 1xkh s GLY 622 Ca 0.40 2.83 0.08 0.00 0.00 0.00 0.00 44.72 48.03 1xkh s GLY 622 CO 0.22 2.89 -0.05 -1.83 0.00 0.00 0.00 173.10 174.33 1xkh s GLU 623 N 2.10 2.23 -0.04 2.90 -1.05 -1.26 0.49 118.70 124.07 1xkh s GLU 623 Ca -0.06 -1.12 -0.02 0.00 -0.15 0.00 0.00 54.97 53.62 1xkh s GLU 623 Cb -0.06 -2.29 0.03 0.00 -0.44 0.00 0.00 34.13 31.36 1xkh s GLU 623 CO -0.17 0.47 0.06 0.71 0.95 0.00 0.00 175.26 177.28 1xkh s TYR 624 N -1.57 0.03 -0.01 4.83 1.51 -0.36 -4.78 117.35 117.00 1xkh s TYR 624 Ca 0.25 0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1xkh s TYR 624 Cb -0.10 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1xkh s TYR 624 CO 0.16 -0.17 0.01 1.28 -1.11 0.00 0.00 175.55 175.72 1xkh n LEU 625 N 4.98 -2.10 0.00 -1.29 4.77 -1.26 -1.89 117.00 120.20 1xkh n LEU 625 Ca -0.10 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1xkh n LEU 625 Cb 0.50 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1xkh n LEU 625 CO 0.10 -0.04 0.00 -0.67 -1.33 0.00 0.00 177.39 175.46 1xkh n ASP 626 N -0.57 0.00 0.00 -1.43 2.03 -1.26 0.28 116.55 115.60 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 0.08 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.34 0.40 0.10 0.27 0.00 -1.26 -5.04 105.19 99.32 1xkh n GLY 627 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.21 -6.46 1.61 -0.00 -0.15 -3.45 114.38 106.15 1xkh h ARG 628 Ca 0.00 -0.36 -0.67 0.00 -0.50 0.00 0.00 59.98 58.44 1xkh h ARG 628 Cb 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 29.97 29.81 1xkh h ARG 628 CO 0.00 1.15 -0.88 -1.17 0.00 0.00 0.00 179.97 179.07 1xkh s LEU 629 N -7.03 2.05 -0.11 3.04 2.96 -0.79 0.49 118.68 119.29 1xkh s LEU 629 Ca -0.04 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1xkh s LEU 629 Cb 0.08 -1.26 0.05 0.00 0.50 0.00 0.00 46.19 45.55 1xkh s LEU 629 CO 0.87 0.30 0.24 0.21 -1.32 0.00 0.00 176.35 176.65 1xkh s ASN 630 N -0.60 0.11 0.35 3.68 3.04 -0.37 -1.22 114.94 119.92 1xkh s ASN 630 Ca 0.10 0.52 0.09 0.00 0.04 0.00 0.00 52.86 53.61 1xkh s ASN 630 Cb -0.09 0.50 -0.07 0.00 -1.54 0.00 0.00 41.25 40.05 1xkh s ASN 630 CO -0.01 -0.20 -0.08 0.42 -3.04 0.00 0.00 177.10 174.18 1xkh s THR 631 N 1.85 2.24 0.00 -5.21 -4.23 0.18 -1.34 115.64 109.13 1xkh s THR 631 Ca -0.04 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1xkh s THR 631 Cb -0.11 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1xkh s THR 631 CO -0.08 -0.19 0.00 -1.54 -0.54 0.00 0.00 174.62 172.27 1xkh n SER 632 N -0.81 0.00 -3.78 3.99 3.41 -1.19 -0.49 113.62 114.75 1xkh n SER 632 Ca -0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 1xkh n SER 632 Cb 0.64 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 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 1.07 0.27 1.04 2.34 -0.80 -2.05 118.68 120.55 1xkh s LEU 633 Ca 0.00 0.22 -0.01 0.00 0.06 0.00 0.00 54.13 54.40 1xkh s LEU 633 Cb 0.00 0.27 -0.02 0.00 -0.56 0.00 0.00 46.19 45.88 1xkh s LEU 633 CO 0.00 -0.11 0.29 0.00 -1.06 0.00 0.00 176.35 175.47 1xkh s ALA 634 N 0.81 1.09 -0.18 1.48 0.00 -0.39 -1.41 121.76 123.17 1xkh s ALA 634 Ca -0.06 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.23 1xkh s ALA 634 Cb -0.08 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1xkh s ALA 634 CO -0.04 -0.69 -0.14 0.71 0.00 0.00 0.00 175.76 175.61 1xkh s TYR 635 N -3.71 2.82 0.02 0.00 1.51 0.32 -1.93 117.35 116.39 1xkh s TYR 635 Ca 0.36 -1.15 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 1xkh s TYR 635 Cb 0.03 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1xkh s TYR 635 CO 0.18 -0.56 -0.23 -0.59 -1.11 0.00 0.00 175.55 173.23 1xkh s PHE 636 N 1.07 2.03 -0.04 2.71 -0.12 0.11 -0.86 117.98 122.88 1xkh s PHE 636 Ca -0.00 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1xkh s PHE 636 Cb -0.15 -1.25 0.03 0.00 -0.63 0.00 0.00 43.02 41.03 1xkh s PHE 636 CO -0.04 0.06 0.08 -2.00 -0.05 0.00 0.00 175.22 173.27 1xkh s GLU 637 N -0.98 -0.02 -0.04 1.99 2.12 0.20 -0.66 118.70 121.32 1xkh s GLU 637 Ca 0.09 0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1xkh s GLU 637 Cb -0.09 -0.31 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 1xkh s GLU 637 CO 0.01 -0.23 -0.07 0.42 -0.54 0.00 0.00 175.26 174.84 1xkh s ILE 638 N 1.58 3.64 -0.17 -3.70 1.01 2.02 0.14 121.20 125.73 1xkh s ILE 638 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1xkh s ILE 638 Cb -0.12 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1xkh s ILE 638 CO -0.04 0.52 -0.17 -1.00 0.00 0.00 0.00 174.94 174.26 1xkh s HIS 639 N -0.88 2.52 -0.13 3.97 3.76 -0.78 0.14 115.29 123.90 1xkh s HIS 639 Ca 0.14 -1.50 -0.07 0.00 -0.15 0.00 0.00 55.06 53.49 1xkh s HIS 639 Cb -0.11 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1xkh s HIS 639 CO 0.04 -0.75 0.11 -2.00 -0.85 0.00 0.00 174.74 171.29 1xkh s GLU 640 N 1.37 3.50 0.03 1.40 2.12 0.25 -2.39 118.70 124.98 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 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1xkh s GLU 640 CO -0.11 0.67 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.87 1xkh s GLU 641 N -0.73 2.05 -1.37 4.30 8.01 0.06 -1.56 118.70 129.46 1xkh s GLU 641 Ca 0.13 -0.98 -0.08 0.00 0.01 0.00 0.00 54.97 54.05 1xkh s GLU 641 Cb -0.12 -2.16 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1xkh s GLU 641 CO 0.03 0.54 0.43 0.09 0.01 0.00 0.00 175.26 176.35 1xkh n ASN 642 N 1.68 -1.33 -4.74 -0.19 3.02 -1.26 -2.71 115.26 109.73 1xkh n ASN 642 Ca -0.16 -1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 52.88 1xkh n ASN 642 Cb 0.52 -2.64 -0.03 0.00 -0.61 0.00 0.00 39.78 37.01 1xkh n ASN 642 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1xkh s ARG 643 N -6.73 4.50 -0.60 3.52 3.52 -0.06 -4.34 118.95 118.74 1xkh s ARG 643 Ca 0.14 1.90 -0.28 0.00 -0.13 0.00 0.00 55.73 57.36 1xkh s ARG 643 Cb -0.06 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 1xkh s ARG 643 CO 0.92 -0.05 1.30 0.00 -0.81 0.00 0.00 175.30 176.66 1xkh s ALA 644 N -0.32 2.87 -0.08 6.12 0.00 -1.26 -2.03 121.76 127.05 1xkh s ALA 644 Ca 0.51 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1xkh s ALA 644 Cb -0.33 -4.11 -0.02 0.00 0.00 0.00 0.00 23.12 18.66 1xkh s ALA 644 CO 0.39 -2.90 -0.12 -2.00 0.00 0.00 0.00 175.76 171.12 1xkh s GLU 645 N 5.35 2.85 0.03 0.00 2.56 -0.41 -4.98 118.70 124.10 1xkh s GLU 645 Ca 0.45 -0.67 -0.30 0.00 0.00 0.00 0.00 54.97 54.46 1xkh s GLU 645 Cb -0.09 -2.50 -0.08 0.00 2.00 0.00 0.00 34.13 33.46 1xkh s GLU 645 CO 0.23 0.49 1.85 -1.83 -0.56 0.00 0.00 175.26 175.45 1xkh s GLU 646 N -0.38 4.15 0.51 4.30 -1.05 -1.26 0.43 118.70 125.41 1xkh s GLU 646 Ca 0.04 2.50 -0.23 0.00 -0.15 0.00 0.00 54.97 57.13 1xkh s GLU 646 Cb -0.12 -3.99 -0.06 0.00 -0.44 0.00 0.00 34.13 29.51 1xkh s GLU 646 CO 0.02 -0.90 1.30 -3.47 0.95 0.00 0.00 175.26 173.17 1xkh n ASP 647 N 7.01 2.52 0.00 0.83 -0.08 -1.04 -4.72 116.55 121.07 1xkh n ASP 647 Ca 0.19 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.47 1xkh n ASP 647 Cb 0.41 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.33 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 -0.84 0.00 -0.02 -1.67 0.00 -1.26 -4.65 120.51 112.07 1xkh n ALA 648 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xkh n ALA 648 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1xkh n ALA 648 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xkh n LEU 649 N -0.36 -0.03 -4.34 0.00 0.00 -1.26 -3.89 117.00 107.12 1xkh n LEU 649 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 56.01 56.00 1xkh n LEU 649 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 43.42 43.28 1xkh n LEU 649 CO 0.00 -0.10 1.45 0.00 0.00 0.00 0.00 177.39 178.74 1xkh n TYR 650 N -4.09 0.28 0.00 1.96 9.36 -1.26 -3.93 117.16 119.47 1xkh n TYR 650 Ca 0.01 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1xkh n TYR 650 Cb 0.03 -1.07 0.00 0.00 -0.63 0.00 0.00 39.34 37.67 1xkh n TYR 650 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xkh n ASN 651 N 8.86 1.69 -2.53 2.98 2.85 -1.25 -4.73 115.26 123.13 1xkh n ASN 651 Ca 0.37 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.63 1xkh n ASN 651 Cb 0.35 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.26 1xkh n ASN 651 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1xkh n SER 652 N -1.98 6.37 -4.60 1.20 3.41 -1.25 -4.91 113.62 111.86 1xkh n SER 652 Ca 0.00 -2.48 -0.43 0.00 -0.26 0.00 0.00 58.87 55.70 1xkh n SER 652 Cb 0.22 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 1xkh n SER 652 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1xkh s LYS 653 N 1.57 3.28 0.22 4.33 0.00 -1.26 -4.98 119.74 122.89 1xkh s LYS 653 Ca 0.65 1.72 -0.30 0.00 0.00 0.00 0.00 55.97 58.04 1xkh s LYS 653 Cb 0.25 -4.27 -0.09 0.00 0.00 0.00 0.00 37.83 33.73 1xkh s LYS 653 CO -0.02 -1.92 1.21 -2.14 0.00 0.00 0.00 175.35 172.48 1xkh s PRO 654 N 5.89 4.48 0.00 1.78 0.02 -1.26 -4.81 135.00 141.10 1xkh s PRO 654 Ca 0.89 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1xkh s PRO 654 Cb -0.27 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1xkh s PRO 654 CO 0.34 -0.08 0.00 -2.37 -0.33 0.00 0.00 177.00 174.56 1xkh n THR 655 N 2.17 0.00 0.00 0.99 5.66 -1.26 -4.62 114.28 117.22 1xkh n THR 655 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1xkh n THR 655 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 0.00 0.00 -0.34 1.09 3.02 -1.26 -4.29 115.26 113.48 1xkh n ASN 656 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1xkh n ASN 656 Cb 0.00 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.50 1xkh n ASN 656 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1xkh n PRO 657 N 0.00 -0.08 0.00 3.52 -0.02 -1.26 0.15 135.00 137.31 1xkh n PRO 657 Ca 0.00 1.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.96 1xkh n PRO 657 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1xkh n PRO 657 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xkh n ALA 658 N -3.05 1.22 -0.85 3.55 0.00 -1.26 -4.59 120.51 115.54 1xkh n ALA 658 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 1xkh n ALA 658 Cb 0.83 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.89 0.00 0.00 0.00 3.06 0.40 -3.71 119.36 118.22 1xkh n ILE 659 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1xkh n ILE 659 Cb 0.00 -0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.05 1xkh n ILE 659 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1xkh n THR 660 N -2.96 0.00 -3.84 9.51 -1.04 -1.26 -4.62 114.28 110.08 1xkh n THR 660 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 1xkh n THR 660 Cb 0.08 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.45 1xkh n THR 660 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1xkh s TYR 661 N 0.00 -0.09 -0.09 -1.42 5.04 -1.24 -4.93 117.35 114.62 1xkh s TYR 661 Ca 0.00 0.23 -0.12 0.00 -2.44 0.00 0.00 57.07 54.74 1xkh s TYR 661 Cb 0.00 0.02 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1xkh s TYR 661 CO 0.00 -0.05 0.32 0.00 -1.34 0.00 0.00 175.55 174.48 1xkh s ALA 662 N 0.13 -0.79 0.45 3.97 0.00 -1.26 -4.87 121.76 119.39 1xkh s ALA 662 Ca -0.01 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1xkh s ALA 662 Cb -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1xkh s ALA 662 CO -0.00 -0.19 0.43 0.71 0.00 0.00 0.00 175.76 176.70 1xkh s TYR 663 N -0.34 2.44 0.36 0.00 1.51 0.41 -2.49 117.35 119.23 1xkh s TYR 663 Ca -0.05 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.50 1xkh s TYR 663 Cb -0.03 -2.15 -0.07 0.00 -0.11 0.00 0.00 41.96 39.60 1xkh s TYR 663 CO 0.02 -0.28 0.04 -1.59 -1.11 0.00 0.00 175.55 172.63 1xkh s LYS 664 N -4.21 1.78 -0.32 -0.62 -2.85 0.17 -3.63 119.74 110.05 1xkh s LYS 664 Ca 0.48 -2.00 0.04 0.00 -1.00 0.00 0.00 55.97 53.48 1xkh s LYS 664 Cb -0.04 -1.14 0.09 0.00 -2.06 0.00 0.00 37.83 34.69 1xkh s LYS 664 CO 0.28 -0.15 0.01 0.20 0.10 0.00 0.00 175.35 175.79 1xkh s GLY 665 N -3.58 1.87 0.20 0.59 0.00 -1.26 -1.29 107.32 103.84 1xkh s GLY 665 Ca 0.35 -2.33 0.09 0.00 0.00 0.00 0.00 44.72 42.83 1xkh s GLY 665 CO 0.16 0.85 -0.06 -1.50 0.00 0.00 0.00 173.10 172.55 1xkh s ILE 666 N 0.96 3.31 0.33 0.90 2.07 -0.86 -4.62 121.20 123.30 1xkh s ILE 666 Ca 0.05 -1.68 -0.26 0.00 -1.41 0.00 0.00 60.65 57.35 1xkh s ILE 666 Cb -0.19 -2.67 -0.10 0.00 0.13 0.00 0.00 42.46 39.63 1xkh s ILE 666 CO -0.07 -0.17 0.95 -0.54 -1.91 0.00 0.00 174.94 173.21 1xkh s LYS 667 N -3.02 4.54 0.12 3.50 1.02 -1.26 -0.89 119.74 123.76 1xkh s LYS 667 Ca 0.27 1.33 0.06 0.00 0.02 0.00 0.00 55.97 57.65 1xkh s LYS 667 Cb -0.08 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1xkh s LYS 667 CO 0.17 0.24 -0.14 0.00 -0.92 0.00 0.00 175.35 174.69 1xkh s ALA 668 N -1.64 1.52 -0.03 5.17 0.00 -0.60 -0.97 121.76 125.20 1xkh s ALA 668 Ca 0.51 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1xkh s ALA 668 Cb -0.18 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xkh s ALA 668 CO 0.24 0.11 -0.08 0.21 0.00 0.00 0.00 175.76 176.24 1xkh s LYS 669 N -2.67 0.95 -0.16 0.00 2.20 0.13 0.87 119.74 121.06 1xkh s LYS 669 Ca 0.09 -0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.44 1xkh s LYS 669 Cb -0.05 -0.89 0.04 0.00 -1.51 0.00 0.00 37.83 35.43 1xkh s LYS 669 CO 0.03 0.05 -0.04 0.99 -0.36 0.00 0.00 175.35 176.02 1xkh s THR 670 N 0.41 0.99 -0.02 3.43 2.01 0.38 -1.39 115.64 121.45 1xkh s THR 670 Ca -0.06 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1xkh s THR 670 Cb -0.10 -1.19 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 1xkh s THR 670 CO 0.01 0.12 -0.11 -1.59 -0.69 0.00 0.00 174.62 172.35 1xkh s LYS 671 N 1.68 0.99 -0.08 4.92 -2.85 -0.85 0.52 119.74 124.08 1xkh s LYS 671 Ca 0.01 -0.39 -0.32 0.00 -1.00 0.00 0.00 55.97 54.27 1xkh s LYS 671 Cb -0.15 -0.94 0.14 0.00 -2.06 0.00 0.00 37.83 34.82 1xkh s LYS 671 CO -0.08 0.20 1.41 0.20 0.10 0.00 0.00 175.35 177.19 1xkh s GLY 672 N -0.10 -0.45 0.29 0.59 0.00 0.16 -2.72 107.32 105.09 1xkh s GLY 672 Ca 0.01 0.82 0.11 0.00 0.00 0.00 0.00 44.72 45.67 1xkh s GLY 672 CO 0.00 1.05 -0.11 -2.52 0.00 0.00 0.00 173.10 171.51 1xkh s TYR 673 N -2.06 2.44 -0.11 1.90 -0.85 -0.71 -0.71 117.35 117.23 1xkh s TYR 673 Ca 0.17 -0.33 -0.14 0.00 -0.52 0.00 0.00 57.07 56.25 1xkh s TYR 673 Cb 0.06 -1.15 0.03 0.00 0.38 0.00 0.00 41.96 41.29 1xkh s TYR 673 CO -0.06 0.65 0.37 -2.00 -1.52 0.00 0.00 175.55 172.99 1xkh s GLU 674 N -3.59 0.50 -0.08 -3.49 2.12 -0.81 -1.38 118.70 111.97 1xkh s GLU 674 Ca 0.31 0.38 -0.07 0.00 0.36 0.00 0.00 54.97 55.95 1xkh s GLU 674 Cb -0.04 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.61 1xkh s GLU 674 CO 0.17 -0.08 0.20 0.00 -0.54 0.00 0.00 175.26 175.01 1xkh s ALA 675 N -0.13 -0.50 -0.28 6.30 0.00 0.09 -1.26 121.76 125.99 1xkh s ALA 675 Ca -0.03 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 1xkh s ALA 675 Cb -0.03 -0.37 0.09 0.00 0.00 0.00 0.00 23.12 22.81 1xkh s ALA 675 CO 0.01 -0.11 0.85 -1.83 0.00 0.00 0.00 175.76 174.69 1xkh s GLU 676 N 0.28 0.69 0.28 0.00 -1.05 -0.87 0.66 118.70 118.69 1xkh s GLU 676 Ca -0.01 0.84 0.08 0.00 -0.15 0.00 0.00 54.97 55.72 1xkh s GLU 676 Cb -0.03 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1xkh s GLU 676 CO -0.01 -0.08 0.19 0.96 0.95 0.00 0.00 175.26 177.26 1xkh s ILE 677 N 0.38 3.95 -0.30 1.83 -4.36 -0.11 -3.16 121.20 119.43 1xkh s ILE 677 Ca 0.01 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 58.76 1xkh s ILE 677 Cb -0.05 -3.23 0.16 0.00 1.25 0.00 0.00 42.46 40.59 1xkh s ILE 677 CO -0.03 -0.29 0.96 -0.94 0.24 0.00 0.00 174.94 174.87 1xkh s SER 678 N -3.86 -0.60 0.00 4.36 1.04 -0.45 -1.90 113.70 112.29 1xkh s SER 678 Ca 0.35 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1xkh s SER 678 Cb -0.07 1.59 0.00 0.00 0.10 0.00 0.00 66.02 67.64 1xkh s SER 678 CO 0.24 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1xkh n GLY 679 N 4.68 0.54 3.56 7.32 0.00 -0.75 -1.24 105.19 119.30 1xkh n GLY 679 Ca -0.12 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 2.96 0.49 1.61 2.12 0.18 -2.82 118.70 121.24 1xkh s GLU 680 Ca 0.00 -0.61 0.27 0.00 0.36 0.00 0.00 54.97 54.99 1xkh s GLU 680 Cb 0.00 -5.18 1.21 0.00 0.26 0.00 0.00 34.13 30.43 1xkh s GLU 680 CO 0.00 -2.92 1.95 1.25 -0.54 0.00 0.00 175.26 175.00 1xkh h LEU 681 N 15.88 0.00 0.00 2.70 5.85 -0.79 -3.42 115.31 135.54 1xkh h LEU 681 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xkh h LEU 681 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1xkh h LEU 681 CO 1.30 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 179.55 1xkh n ALA 682 N -2.22 0.00 -0.08 1.25 0.00 -1.20 -4.96 120.51 113.30 1xkh n ALA 682 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1xkh n ALA 682 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.67 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 0.62 -2.81 0.00 -0.04 -1.26 -4.55 135.00 126.96 1xkh n PRO 683 Ca 0.00 0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 63.92 1xkh n PRO 683 Cb 0.00 -1.72 0.05 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 1.57 1.84 3.32 0.55 0.00 -1.26 -5.04 105.19 106.17 1xkh n GLY 684 Ca -0.34 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.74 3.22 -0.10 1.61 -0.00 -1.26 -2.34 118.94 116.32 1xkh s TRP 685 Ca 0.27 -1.18 -0.03 0.00 -0.00 0.00 0.00 56.10 55.17 1xkh s TRP 685 Cb 0.33 -2.30 -0.03 0.00 -0.00 0.00 0.00 33.47 31.47 1xkh s TRP 685 CO -0.03 -0.66 0.00 -0.65 -0.00 0.00 0.00 176.95 175.61 1xkh s GLN 686 N 1.47 3.17 -0.18 5.86 -1.52 0.28 -0.06 119.66 128.67 1xkh s GLN 686 Ca 0.00 -0.41 -0.14 0.00 -1.95 0.00 0.00 55.36 52.86 1xkh s GLN 686 Cb -0.19 -2.85 0.05 0.00 -0.22 0.00 0.00 33.01 29.80 1xkh s GLN 686 CO 0.04 0.61 0.46 0.54 -0.25 0.00 0.00 175.29 176.68 1xkh s VAL 687 N -0.61 -0.01 -0.05 1.09 0.11 -1.13 -0.44 120.40 119.36 1xkh s VAL 687 Ca 0.10 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 1xkh s VAL 687 Cb -0.12 -0.66 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1xkh s VAL 687 CO 0.02 0.01 0.09 -1.58 -3.33 0.00 0.00 175.10 170.31 1xkh s GLN 688 N 0.65 -0.01 0.11 1.54 0.74 -0.25 -1.82 119.66 120.64 1xkh s GLN 688 Ca -0.03 0.36 -0.20 0.00 0.05 0.00 0.00 55.36 55.54 1xkh s GLN 688 Cb -0.05 -0.31 0.05 0.00 1.10 0.00 0.00 33.01 33.80 1xkh s GLN 688 CO -0.04 -0.24 0.49 0.00 -0.55 0.00 0.00 175.29 174.94 1xkh s ALA 689 N 1.66 -1.22 0.06 1.58 0.00 -0.80 -0.82 121.76 122.23 1xkh s ALA 689 Ca -0.03 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.96 1xkh s ALA 689 Cb -0.12 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.72 1xkh s ALA 689 CO -0.04 -0.64 0.56 0.20 0.00 0.00 0.00 175.76 175.84 1xkh s GLY 690 N -2.57 -0.49 0.01 0.00 0.00 0.35 -0.94 107.32 103.68 1xkh s GLY 690 Ca 0.00 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.43 1xkh s GLY 690 CO -0.10 0.35 -0.14 -0.47 0.00 0.00 0.00 173.10 172.74 1xkh s TYR 691 N -2.61 1.22 -0.08 1.90 6.14 0.21 0.78 117.35 124.91 1xkh s TYR 691 Ca -0.04 -0.28 -0.03 0.00 0.64 0.00 0.00 57.07 57.36 1xkh s TYR 691 Cb -0.01 -0.76 0.04 0.00 0.42 0.00 0.00 41.96 41.66 1xkh s TYR 691 CO -0.03 0.00 0.16 0.99 0.64 0.00 0.00 175.55 177.32 1xkh s THR 692 N -0.53 -0.14 -0.31 4.34 2.01 -0.44 -0.74 115.64 119.84 1xkh s THR 692 Ca 0.04 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 1xkh s THR 692 Cb -0.06 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1xkh s THR 692 CO 0.00 0.10 0.10 -2.28 -0.69 0.00 0.00 174.62 171.86 1xkh s HIS 693 N 1.62 3.17 0.07 4.92 5.04 -0.48 -1.83 115.29 127.81 1xkh s HIS 693 Ca -0.05 -0.95 0.08 0.00 -1.54 0.00 0.00 55.06 52.60 1xkh s HIS 693 Cb -0.12 -2.29 -0.03 0.00 0.04 0.00 0.00 32.58 30.19 1xkh s HIS 693 CO -0.06 -0.58 -0.21 0.21 -2.34 0.00 0.00 174.74 171.77 1xkh s LYS 694 N 1.51 1.24 -0.13 2.88 2.36 0.36 -1.74 119.74 126.23 1xkh s LYS 694 Ca 0.02 -1.05 -0.10 0.00 -2.55 0.00 0.00 55.97 52.29 1xkh s LYS 694 Cb -0.18 -1.43 0.04 0.00 -1.05 0.00 0.00 37.83 35.21 1xkh s LYS 694 CO 0.03 0.35 0.34 0.42 1.55 0.00 0.00 175.35 178.04 1xkh s ILE 695 N -0.98 -0.01 -0.09 5.43 -1.09 -1.10 -4.34 121.20 119.01 1xkh s ILE 695 Ca 0.07 0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1xkh s ILE 695 Cb -0.09 -0.49 0.04 0.00 -1.58 0.00 0.00 42.46 40.34 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 0.62 -0.12 0.13 2.92 2.07 -1.26 -2.00 121.20 123.56 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 -0.04 0.09 0.11 0.00 -1.91 0.00 0.00 174.94 173.18 1xkh s ARG 697 N 1.52 0.94 -0.18 3.50 1.70 -0.49 -1.68 118.95 124.26 1xkh s ARG 697 Ca -0.06 -1.34 -0.04 0.00 -0.47 0.00 0.00 55.73 53.82 1xkh s ARG 697 Cb -0.11 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.52 1xkh s ARG 697 CO -0.07 -0.28 -0.03 0.16 -1.08 0.00 0.00 175.30 174.00 1xkh s ASP 698 N -3.01 4.69 0.00 -2.89 -4.77 -1.18 0.20 116.67 109.71 1xkh s ASP 698 Ca 0.20 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 1xkh s ASP 698 Cb 0.06 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 40.11 1xkh s ASP 698 CO -0.00 0.10 0.00 -0.67 0.70 0.00 0.00 175.17 175.29 1xkh n ASP 699 N 4.03 0.00 -3.44 2.11 2.03 -0.15 0.34 116.55 121.47 1xkh n ASP 699 Ca -0.17 0.00 -0.20 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 40.88 1xkh n ASP 699 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xkh n SER 700 N 0.75 -1.58 0.00 1.67 3.41 -1.26 -4.83 113.62 111.78 1xkh n SER 700 Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1xkh n SER 700 Cb 0.00 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.52 1xkh n SER 700 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xkh n GLY 701 N -0.79 4.34 3.96 5.00 0.00 1.02 -5.14 105.19 113.58 1xkh n GLY 701 Ca 0.05 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 2.44 1.15 -0.35 1.61 -2.85 -1.26 -4.62 119.74 115.86 1xkh s LYS 702 Ca 0.00 -0.73 -0.22 0.00 -1.00 0.00 0.00 55.97 54.01 1xkh s LYS 702 Cb 0.00 -2.08 0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1xkh s LYS 702 CO 0.00 -1.94 0.75 0.15 0.10 0.00 0.00 175.35 174.40 1xkh s LYS 703 N -5.53 3.77 0.33 1.78 1.02 -1.26 -3.10 119.74 116.75 1xkh s LYS 703 Ca 0.70 0.29 0.04 0.00 0.02 0.00 0.00 55.97 57.02 1xkh s LYS 703 Cb -0.05 -3.80 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1xkh s LYS 703 CO 0.49 -0.79 0.50 0.54 -0.92 0.00 0.00 175.35 175.16 1xkh s VAL 704 N 2.98 4.60 -1.57 3.17 0.11 -0.68 -4.35 120.40 124.66 1xkh s VAL 704 Ca 0.30 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1xkh s VAL 704 Cb -0.14 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1xkh s VAL 704 CO 0.16 -0.32 0.00 -1.20 -3.33 0.00 0.00 175.10 170.40 1xkh n SER 705 N -1.70 -5.22 0.06 3.54 7.64 -1.26 -4.62 113.62 112.06 1xkh n SER 705 Ca -0.03 0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.90 1xkh n SER 705 Cb 0.57 -4.29 0.14 0.00 -1.01 0.00 0.00 64.21 59.62 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 -3.87 1.02 0.03 0.44 -2.24 -1.26 -0.90 114.28 107.51 1xkh n THR 706 Ca -0.21 0.59 -0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1xkh n THR 706 Cb 0.65 -1.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.16 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 0.25 -2.11 4.78 2.91 -1.87 -2.57 115.95 117.33 1xkh h TRP 707 Ca 0.00 -0.18 -0.52 0.00 1.13 0.00 0.00 58.89 59.32 1xkh h TRP 707 Cb 0.45 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.02 1xkh h TRP 707 CO 0.00 1.25 1.18 -2.00 -1.03 0.00 0.00 178.44 177.83 1xkh s GLU 708 N -2.62 2.98 0.12 2.65 2.12 -0.07 -4.74 118.70 119.14 1xkh s GLU 708 Ca -0.07 0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.05 1xkh s GLU 708 Cb 0.08 -4.34 -0.14 0.00 0.26 0.00 0.00 34.13 29.99 1xkh s GLU 708 CO 0.83 -2.41 0.49 -2.30 -0.54 0.00 0.00 175.26 171.33 1xkh n PRO 709 N 9.27 0.00 0.27 4.30 -0.02 -1.26 -4.83 135.00 142.74 1xkh n PRO 709 Ca 0.12 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.76 1xkh n PRO 709 Cb 0.50 -0.85 0.71 0.00 -0.02 0.00 0.00 33.50 33.84 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 1.09 0.00 -3.58 -0.52 4.20 -1.79 -3.43 115.11 111.08 1xkh h GLN 710 Ca -0.25 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.23 1xkh h GLN 710 Cb 1.10 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.60 1xkh h GLN 710 CO 0.45 0.07 -0.66 -0.51 -0.67 0.00 0.00 178.83 177.51 1xkh s ASP 711 N -5.81 -0.05 -0.10 1.46 1.01 -1.25 0.14 116.67 112.07 1xkh s ASP 711 Ca -0.00 0.11 -0.07 0.00 0.71 0.00 0.00 52.55 53.30 1xkh s ASP 711 Cb 0.10 0.10 0.04 0.00 1.01 0.00 0.00 42.92 44.16 1xkh s ASP 711 CO 0.55 -0.03 0.25 0.00 0.21 0.00 0.00 175.17 176.15 1xkh s GLN 712 N 0.16 0.25 -0.20 8.23 -2.07 -0.76 -2.38 119.66 122.89 1xkh s GLN 712 Ca -0.01 0.45 -0.01 0.00 -1.82 0.00 0.00 55.36 53.97 1xkh s GLN 712 Cb -0.02 -0.00 0.01 0.00 -1.09 0.00 0.00 33.01 31.91 1xkh s GLN 712 CO -0.00 -0.11 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.56 1xkh s LEU 713 N 0.77 2.53 -0.09 2.60 2.96 0.10 -1.32 118.68 126.23 1xkh s LEU 713 Ca -0.05 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 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 -0.05 -0.02 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.30 1xkh s SER 714 N 1.37 2.88 -0.17 3.68 0.01 0.23 0.12 113.70 121.82 1xkh s SER 714 Ca 0.05 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 1xkh s SER 714 Cb -0.14 -1.21 0.08 0.00 0.21 0.00 0.00 66.02 64.97 1xkh s SER 714 CO -0.08 0.16 0.33 -0.22 0.41 0.00 0.00 173.24 173.83 1xkh s LEU 715 N 0.29 -0.46 -0.03 2.44 2.96 -0.34 0.13 118.68 123.66 1xkh s LEU 715 Ca -0.15 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1xkh s LEU 715 Cb -0.17 0.97 0.00 0.00 0.50 0.00 0.00 46.19 47.50 1xkh s LEU 715 CO 0.07 -0.25 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.43 1xkh s TYR 716 N 2.50 1.24 -0.10 5.38 2.02 0.00 0.58 117.35 128.97 1xkh s TYR 716 Ca 0.01 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.18 1xkh s TYR 716 Cb -0.12 -0.87 0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1xkh s TYR 716 CO -0.11 -0.13 0.48 -0.08 -1.57 0.00 0.00 175.55 174.13 1xkh s THR 717 N 0.18 0.02 0.03 -0.71 -1.32 0.81 -1.08 115.64 113.56 1xkh s THR 717 Ca -0.04 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.30 1xkh s THR 717 Cb -0.10 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 70.13 1xkh s THR 717 CO 0.01 -0.09 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.31 1xkh s SER 718 N -0.63 0.94 -0.04 8.08 1.04 0.42 -0.53 113.70 122.98 1xkh s SER 718 Ca -0.07 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1xkh s SER 718 Cb -0.03 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.10 1xkh s SER 718 CO 0.04 -0.10 -0.04 -0.47 0.98 0.00 0.00 173.24 173.66 1xkh s TYR 719 N -0.98 0.68 0.15 5.02 5.04 0.86 -0.56 117.35 127.56 1xkh s TYR 719 Ca -0.05 -0.17 -0.06 0.00 -2.44 0.00 0.00 57.07 54.34 1xkh s TYR 719 Cb -0.08 -0.62 -0.06 0.00 0.35 0.00 0.00 41.96 41.56 1xkh s TYR 719 CO 0.00 -0.18 0.42 0.21 -1.34 0.00 0.00 175.55 174.66 1xkh s LYS 720 N 0.89 3.68 0.41 4.97 2.20 -0.99 -0.97 119.74 129.93 1xkh s LYS 720 Ca -0.12 0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1xkh s LYS 720 Cb -0.14 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1xkh s LYS 720 CO 0.00 0.45 0.69 -0.06 -0.36 0.00 0.00 175.35 176.07 1xkh s PHE 721 N -1.66 3.52 0.15 4.03 0.08 -0.61 -4.84 117.98 118.66 1xkh s PHE 721 Ca 0.41 0.70 -0.10 0.00 0.12 0.00 0.00 56.93 58.06 1xkh s PHE 721 Cb -0.12 -2.18 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 1xkh s PHE 721 CO 0.23 -0.09 0.48 0.15 -0.10 0.00 0.00 175.22 175.89 1xkh s LYS 722 N -4.34 3.80 0.00 0.44 1.02 -1.26 -3.87 119.74 115.54 1xkh s LYS 722 Ca 0.45 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1xkh s LYS 722 Cb -0.10 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1xkh s LYS 722 CO 0.39 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 1xkh n GLY 723 N 0.43 0.17 0.00 -3.33 0.00 -1.26 -3.07 105.19 98.12 1xkh n GLY 723 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.71 0.00 -2.91 4.61 0.00 -1.26 0.12 120.51 122.78 1xkh n ALA 724 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1xkh n ALA 724 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.11 1.36 -0.01 0.00 -0.00 -1.17 -4.91 117.00 111.15 1xkh n LEU 725 Ca 0.00 -4.43 0.00 0.00 -0.00 0.00 0.00 56.01 51.58 1xkh n LEU 725 Cb 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1xkh n LEU 725 CO 0.00 1.95 0.16 -0.90 -0.00 0.00 0.00 177.39 178.60 1xkh n ASP 726 N 0.08 0.01 -1.59 1.45 5.75 0.12 -1.31 116.55 121.05 1xkh n ASP 726 Ca 0.18 -0.66 0.09 0.00 -0.01 0.00 0.00 54.79 54.39 1xkh n ASP 726 Cb 0.73 -0.00 0.36 0.00 -1.03 0.00 0.00 41.12 41.17 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 -0.48 3.84 -3.99 0.11 5.02 -1.26 -4.77 118.16 116.62 1xkh n LYS 727 Ca 0.00 -2.91 -0.17 0.00 -2.02 0.00 0.00 58.31 53.21 1xkh n LYS 727 Cb 0.00 -1.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.93 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 -1.96 1.37 0.01 -0.35 2.96 -0.43 -1.85 118.68 118.44 1xkh s LEU 728 Ca 0.51 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 1xkh s LEU 728 Cb 0.34 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.76 1xkh s LEU 728 CO 0.23 -0.06 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.07 1xkh s THR 729 N 0.76 1.90 0.01 3.68 2.01 -0.66 -1.58 115.64 121.77 1xkh s THR 729 Ca -0.08 -1.17 0.03 0.00 0.31 0.00 0.00 61.69 60.79 1xkh s THR 729 Cb -0.11 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1xkh s THR 729 CO -0.01 0.41 -0.11 0.68 -0.69 0.00 0.00 174.62 174.90 1xkh s VAL 730 N -0.68 0.85 0.28 3.82 -7.23 -0.14 -1.50 120.40 115.80 1xkh s VAL 730 Ca 0.10 -0.67 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 1xkh s VAL 730 Cb -0.09 -0.75 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1xkh s VAL 730 CO 0.01 0.08 0.65 -0.83 -0.31 0.00 0.00 175.10 174.69 1xkh s GLY 731 N -0.67 0.18 -0.08 2.32 0.00 -1.26 -0.10 107.32 107.71 1xkh s GLY 731 Ca 0.02 -0.55 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 1xkh s GLY 731 CO 0.00 -0.29 1.36 -0.32 0.00 0.00 0.00 173.10 173.85 1xkh s GLY 732 N -2.97 -0.24 0.21 0.20 0.00 0.31 -4.51 107.32 100.33 1xkh s GLY 732 Ca 0.15 0.24 -0.13 0.00 0.00 0.00 0.00 44.72 44.99 1xkh s GLY 732 CO 0.08 5.80 0.64 0.61 0.00 0.00 0.00 173.10 180.23 1xkh n GLY 733 N -0.91 1.06 3.60 0.20 0.00 0.05 -0.14 105.19 109.06 1xkh n GLY 733 Ca 0.04 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.75 -1.80 0.11 4.61 0.00 0.19 -1.83 121.76 121.28 1xkh s ALA 734 Ca 0.14 1.83 0.09 0.00 0.00 0.00 0.00 51.96 54.02 1xkh s ALA 734 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1xkh s ALA 734 CO 0.06 -0.34 -0.24 0.50 0.00 0.00 0.00 175.76 175.75 1xkh s ARG 735 N -0.05 1.30 -0.05 0.00 6.06 0.83 -1.20 118.95 125.84 1xkh s ARG 735 Ca -0.02 -1.22 -0.03 0.00 -2.50 0.00 0.00 55.73 51.95 1xkh s ARG 735 Cb -0.04 -1.65 0.03 0.00 0.06 0.00 0.00 34.95 33.35 1xkh s ARG 735 CO 0.02 0.39 0.12 -0.46 -2.50 0.00 0.00 175.30 172.88 1xkh s TRP 736 N -1.07 -0.13 -0.02 5.12 -0.11 0.12 0.39 118.94 123.24 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 -0.06 0.02 0.00 -1.50 0.00 0.00 33.47 31.83 1xkh s TRP 736 CO 0.05 -0.12 0.02 1.14 -4.62 0.00 0.00 176.95 173.41 1xkh s GLN 737 N 0.82 0.06 0.49 5.86 -2.07 -0.92 0.02 119.66 123.91 1xkh s GLN 737 Ca -0.06 0.12 -0.20 0.00 -1.82 0.00 0.00 55.36 53.39 1xkh s GLN 737 Cb -0.08 -0.26 -0.08 0.00 -1.09 0.00 0.00 33.01 31.49 1xkh s GLN 737 CO -0.04 -0.12 1.05 0.20 -1.32 0.00 0.00 175.29 175.06 1xkh s GLY 738 N 0.83 2.53 0.00 2.60 0.00 -1.00 -2.88 107.32 109.39 1xkh s GLY 738 Ca -0.07 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1xkh s GLY 738 CO -0.02 0.95 0.00 1.17 0.00 0.00 0.00 173.10 175.20 1xkh n LYS 739 N -0.98 0.00 -4.86 2.90 4.81 -1.05 -4.50 118.16 114.49 1xkh n LYS 739 Ca 0.09 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.27 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 2.19 0.08 3.14 0.01 -1.02 -4.64 113.70 113.46 1xkh s SER 740 Ca 0.00 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 1xkh s SER 740 Cb 0.00 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 1xkh s SER 740 CO 0.00 0.17 -0.01 -1.66 0.41 0.00 0.00 173.24 172.15 1xkh s TRP 741 N -0.06 0.70 0.00 2.43 -2.14 -0.97 0.32 118.94 119.22 1xkh s TRP 741 Ca -0.02 -1.09 0.00 0.00 2.66 0.00 0.00 56.10 57.65 1xkh s TRP 741 Cb -0.11 -0.45 0.00 0.00 -3.10 0.00 0.00 33.47 29.81 1xkh s TRP 741 CO 0.02 -0.37 0.00 1.04 -2.66 0.00 0.00 176.95 174.97 1xkh n GLN 742 N 0.01 0.00 0.00 3.25 1.13 0.95 -3.15 117.38 119.57 1xkh n GLN 742 Ca -0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1xkh n GLN 742 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.97 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 -1.07 -2.20 118.33 116.83 1xkh n VAL 744 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1xkh n VAL 744 Cb 0.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.24 -1.19 -1.32 6.34 5.04 -1.26 -4.12 117.35 118.60 1xkh s TYR 745 Ca 0.00 1.92 -0.11 0.00 -2.44 0.00 0.00 57.07 56.45 1xkh s TYR 745 Cb 0.00 0.58 0.14 0.00 0.35 0.00 0.00 41.96 43.03 1xkh s TYR 745 CO 0.00 -0.65 1.93 -1.71 -1.34 0.00 0.00 175.55 173.78 1xkh n ASN 746 N 5.42 4.82 -0.26 4.32 5.15 -1.15 -4.87 115.26 128.68 1xkh n ASN 746 Ca -0.09 -3.04 -0.07 0.00 -0.60 0.00 0.00 54.58 50.78 1xkh n ASN 746 Cb 0.49 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.15 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 4.58 -0.67 0.27 1.20 2.85 -1.26 0.91 115.26 123.14 1xkh n ASN 747 Ca 0.43 1.12 0.05 0.00 -0.11 0.00 0.00 54.58 56.06 1xkh n ASN 747 Cb 0.37 -0.15 0.25 0.00 1.24 0.00 0.00 39.78 41.50 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 0.11 132.00 131.52 1xkh h PRO 748 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1xkh h PRO 748 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1xkh h PRO 748 CO -0.59 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.74 1xkh n ARG 749 N -2.36 0.02 0.00 1.05 1.74 0.15 -4.98 116.66 112.27 1xkh n ARG 749 Ca -0.01 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1xkh n ARG 749 Cb 0.70 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.61 1xkh n ARG 749 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xkh n SER 750 N -0.01 0.00 -4.70 0.55 2.88 0.26 -4.90 113.62 107.70 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 0.31 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 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 4.27 0.45 -1.46 1.70 -1.25 -4.63 118.95 118.03 1xkh s ARG 751 Ca 0.00 2.14 -0.23 0.00 -0.47 0.00 0.00 55.73 57.17 1xkh s ARG 751 Cb 0.00 -3.41 -0.08 0.00 -0.57 0.00 0.00 34.95 30.89 1xkh s ARG 751 CO 0.00 -0.57 1.15 -1.58 -1.08 0.00 0.00 175.30 173.22 1xkh s TRP 752 N 1.84 2.93 0.11 5.89 0.52 -1.26 -2.94 118.94 126.02 1xkh s TRP 752 Ca 0.67 1.55 0.06 0.00 0.02 0.00 0.00 56.10 58.40 1xkh s TRP 752 Cb -0.37 -3.34 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 1xkh s TRP 752 CO 0.30 -1.38 -0.14 -1.21 0.02 0.00 0.00 176.95 174.54 1xkh s GLU 753 N -2.68 0.96 0.09 4.98 2.02 -1.26 -4.91 118.70 117.90 1xkh s GLU 753 Ca 0.63 -1.15 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1xkh s GLU 753 Cb -0.28 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 1xkh s GLU 753 CO 0.34 0.17 0.18 0.21 0.02 0.00 0.00 175.26 176.18 1xkh s LYS 754 N -2.40 3.24 -0.06 1.61 2.20 -1.26 -2.59 119.74 120.47 1xkh s LYS 754 Ca 0.06 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.07 1xkh s LYS 754 Cb -0.06 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1xkh s LYS 754 CO 0.03 0.57 0.12 -0.06 -0.36 0.00 0.00 175.35 175.65 1xkh s PHE 755 N -1.53 -0.11 0.01 4.03 0.08 -0.93 -4.98 117.98 114.55 1xkh s PHE 755 Ca 0.33 0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.86 1xkh s PHE 755 Cb -0.12 -0.20 -0.02 0.00 -0.57 0.00 0.00 43.02 42.11 1xkh s PHE 755 CO 0.26 -0.18 -0.17 -1.54 -0.10 0.00 0.00 175.22 173.49 1xkh s SER 756 N 1.53 1.96 -0.79 1.36 1.04 -1.25 -0.04 113.70 117.51 1xkh s SER 756 Ca -0.05 -0.39 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1xkh s SER 756 Cb -0.12 -0.18 0.21 0.00 0.10 0.00 0.00 66.02 66.02 1xkh s SER 756 CO -0.05 0.15 0.69 -1.58 0.98 0.00 0.00 173.24 173.43 1xkh s GLN 757 N -0.76 3.32 0.00 4.02 2.00 0.95 -4.91 119.66 124.29 1xkh s GLN 757 Ca 0.05 -2.56 0.00 0.00 -2.00 0.00 0.00 55.36 50.86 1xkh s GLN 757 Cb -0.07 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.52 1xkh s GLN 757 CO 0.00 -1.25 0.00 -0.85 -0.50 0.00 0.00 175.29 172.69 1xkh n GLU 758 N 3.70 0.00 -4.53 1.67 0.00 -1.26 -2.45 120.64 117.78 1xkh n GLU 758 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.04 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 -0.11 3.59 -0.16 -1.84 1.01 -1.26 -2.51 116.67 115.39 1xkh s ASP 759 Ca 0.00 -1.19 -0.03 0.00 0.71 0.00 0.00 52.55 52.04 1xkh s ASP 759 Cb 0.00 -0.32 0.05 0.00 1.01 0.00 0.00 42.92 43.66 1xkh s ASP 759 CO 0.00 -0.22 0.03 -0.31 0.21 0.00 0.00 175.17 174.88 1xkh s TYR 760 N -2.66 0.85 -0.31 4.23 2.02 -1.14 -4.99 117.35 115.35 1xkh s TYR 760 Ca 0.32 -0.61 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1xkh s TYR 760 Cb 0.02 -0.93 0.11 0.00 -0.40 0.00 0.00 41.96 40.76 1xkh s TYR 760 CO 0.16 -0.52 0.13 -1.58 -1.57 0.00 0.00 175.55 172.17 1xkh s TRP 761 N 1.92 0.84 -0.15 2.71 0.23 -1.25 -2.17 118.94 121.07 1xkh s TRP 761 Ca 0.01 -1.28 -0.04 0.00 -2.03 0.00 0.00 56.10 52.77 1xkh s TRP 761 Cb -0.16 -1.19 -0.03 0.00 0.03 0.00 0.00 33.47 32.13 1xkh s TRP 761 CO -0.07 -0.84 -0.02 -0.51 0.96 0.00 0.00 176.95 176.46 1xkh s LEU 762 N 1.78 3.34 0.08 2.99 1.02 0.16 -4.95 118.68 123.10 1xkh s LEU 762 Ca 0.11 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1xkh s LEU 762 Cb -0.17 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 1xkh s LEU 762 CO -0.28 0.20 -0.19 0.54 0.02 0.00 0.00 176.35 176.63 1xkh s VAL 763 N 0.20 1.56 -0.15 -1.59 0.11 -1.26 -0.12 120.40 119.15 1xkh s VAL 763 Ca -0.01 -1.39 -0.10 0.00 -2.93 0.00 0.00 61.98 57.55 1xkh s VAL 763 Cb -0.14 -1.41 0.05 0.00 -1.53 0.00 0.00 36.38 33.35 1xkh s VAL 763 CO 0.02 -0.02 0.38 1.51 -3.33 0.00 0.00 175.10 173.66 1xkh s ASP 764 N -1.66 -0.44 0.38 3.54 1.47 -0.76 -1.38 116.67 117.82 1xkh s ASP 764 Ca 0.05 0.80 0.05 0.00 1.18 0.00 0.00 52.55 54.63 1xkh s ASP 764 Cb -0.10 0.73 0.05 0.00 -0.34 0.00 0.00 42.92 43.26 1xkh s ASP 764 CO 0.03 -0.17 0.38 0.18 0.68 0.00 0.00 175.17 176.27 1xkh n LEU 765 N 3.77 0.00 0.00 2.11 4.77 -0.85 -0.77 117.00 126.04 1xkh n LEU 765 Ca -0.20 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 1xkh n LEU 765 Cb 0.56 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1xkh n LEU 765 CO 0.11 -0.54 0.00 0.00 -1.33 0.00 0.00 177.39 175.63 1xkh n ALA 767 N -2.34 0.00 -3.58 -1.18 0.00 -0.46 -1.67 120.51 111.28 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 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.80 0.31 -0.15 0.00 3.52 -0.56 0.29 118.95 120.55 1xkh s ARG 768 Ca 0.00 0.59 0.02 0.00 -0.13 0.00 0.00 55.73 56.21 1xkh s ARG 768 Cb 0.00 -0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1xkh s ARG 768 CO 0.00 -0.13 -0.21 -0.47 -0.81 0.00 0.00 175.30 173.68 1xkh s TYR 769 N 1.03 2.64 -0.96 5.12 5.04 0.62 -1.65 117.35 129.20 1xkh s TYR 769 Ca -0.07 -1.42 -0.20 0.00 -2.44 0.00 0.00 57.07 52.94 1xkh s TYR 769 Cb -0.08 -1.82 0.11 0.00 0.35 0.00 0.00 41.96 40.52 1xkh s TYR 769 CO -0.08 -0.68 1.22 -1.14 -1.34 0.00 0.00 175.55 173.54 1xkh s GLN 770 N 1.02 3.60 0.30 4.97 2.00 -0.77 -1.48 119.66 129.30 1xkh s GLN 770 Ca -0.02 -1.58 0.12 0.00 -2.00 0.00 0.00 55.36 51.87 1xkh s GLN 770 Cb -0.14 -5.05 0.44 0.00 0.80 0.00 0.00 33.01 29.06 1xkh s GLN 770 CO -0.06 -1.90 1.65 -0.84 -0.50 0.00 0.00 175.29 173.64 1xkh h ILE 771 N 6.10 1.34 -3.95 -2.34 3.07 -1.83 -3.45 117.51 116.46 1xkh h ILE 771 Ca 0.17 -1.94 -0.28 0.00 1.55 0.00 0.00 64.86 64.36 1xkh h ILE 771 Cb 1.02 2.06 -0.23 0.00 -0.27 0.00 0.00 36.82 39.40 1xkh h ILE 771 CO 1.20 0.54 -0.74 0.42 -1.05 0.00 0.00 178.15 178.53 1xkh s THR 772 N -3.67 0.48 0.45 0.16 -4.23 -1.21 -5.00 115.64 102.63 1xkh s THR 772 Ca -0.01 -0.86 0.35 0.00 -1.18 0.00 0.00 61.69 59.98 1xkh s THR 772 Cb 0.13 -0.53 0.54 0.00 1.34 0.00 0.00 72.50 73.98 1xkh s THR 772 CO 0.75 -0.27 1.53 0.47 -0.54 0.00 0.00 174.62 176.55 1xkh n ASP 773 N 1.83 0.17 -3.68 3.99 8.00 -1.26 -2.71 116.55 122.88 1xkh n ASP 773 Ca -0.20 1.29 -0.30 0.00 0.71 0.00 0.00 54.79 56.29 1xkh n ASP 773 Cb 0.56 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.89 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 -5.14 1.04 0.00 -1.24 1.02 -1.26 -5.00 119.74 109.16 1xkh s LYS 774 Ca -0.07 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1xkh s LYS 774 Cb 0.30 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1xkh s LYS 774 CO 0.82 -1.12 0.00 -0.11 -0.92 0.00 0.00 175.35 174.01 1xkh n LEU 775 N 3.94 0.00 -4.94 3.17 7.94 -1.10 -4.68 117.00 121.33 1xkh n LEU 775 Ca 0.06 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.73 1xkh n LEU 775 Cb 0.37 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.32 1xkh n LEU 775 CO 0.20 0.00 0.29 -0.44 -1.11 0.00 0.00 177.39 176.33 1xkh s SER 776 N 0.00 5.94 -0.17 1.96 0.01 -1.26 -3.30 113.70 116.88 1xkh s SER 776 Ca 0.00 0.39 -0.04 0.00 1.31 0.00 0.00 55.95 57.61 1xkh s SER 776 Cb 0.00 -1.69 0.08 0.00 0.21 0.00 0.00 66.02 64.62 1xkh s SER 776 CO 0.00 -0.64 0.28 0.00 0.41 0.00 0.00 173.24 173.29 1xkh s ALA 777 N -2.55 -0.60 0.18 1.44 0.00 -0.55 -0.11 121.76 119.57 1xkh s ALA 777 Ca 0.47 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 1xkh s ALA 777 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1xkh s ALA 777 CO 0.39 -0.88 0.14 -1.54 0.00 0.00 0.00 175.76 173.87 1xkh s SER 778 N 2.43 0.17 -0.25 0.00 1.04 -0.99 0.23 113.70 116.33 1xkh s SER 778 Ca 0.04 -1.29 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 1xkh s SER 778 Cb -0.13 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.44 1xkh s SER 778 CO -0.11 -0.83 0.59 0.54 0.98 0.00 0.00 173.24 174.41 1xkh s VAL 779 N -4.11 -0.17 -0.06 5.02 0.11 0.15 -1.12 120.40 120.22 1xkh s VAL 779 Ca 0.33 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.45 1xkh s VAL 779 Cb 0.06 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1xkh s VAL 779 CO 0.09 0.01 -0.16 0.20 -3.33 0.00 0.00 175.10 171.91 1xkh s ASN 780 N 1.79 3.88 -0.31 3.54 -0.87 -1.26 -1.35 114.94 120.35 1xkh s ASN 780 Ca -0.09 -0.26 0.03 0.00 -1.57 0.00 0.00 52.86 50.97 1xkh s ASN 780 Cb -0.07 -0.93 0.09 0.00 -0.02 0.00 0.00 41.25 40.32 1xkh s ASN 780 CO -0.17 0.31 0.03 0.54 -2.57 0.00 0.00 177.10 175.23 1xkh s VAL 781 N -0.51 1.93 0.27 1.60 0.11 -0.67 -4.23 120.40 118.89 1xkh s VAL 781 Ca 0.07 -1.96 0.15 0.00 -2.93 0.00 0.00 61.98 57.31 1xkh s VAL 781 Cb -0.12 -2.35 0.08 0.00 -1.53 0.00 0.00 36.38 32.46 1xkh s VAL 781 CO 0.01 -0.49 1.74 0.78 -3.33 0.00 0.00 175.10 173.81 1xkh h ASN 782 N 7.76 0.00 -2.09 3.54 -0.26 -1.72 -2.25 115.58 120.55 1xkh h ASN 782 Ca -0.09 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.09 1xkh h ASN 782 Cb 1.03 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.88 1xkh h ASN 782 CO 0.49 0.44 -0.92 -3.20 -1.06 0.00 0.00 177.43 173.18 1xkh n ASN 783 N -3.76 1.80 0.00 5.81 4.05 -1.26 -4.13 115.26 117.77 1xkh n ASN 783 Ca -0.01 -3.08 0.00 0.00 0.45 0.00 0.00 54.58 51.94 1xkh n ASN 783 Cb 0.50 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 40.88 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 0.86 0.00 1.45 3.44 0.31 -0.48 0.11 118.33 124.03 1xkh n VAL 784 Ca 0.25 0.15 0.10 0.00 -0.01 0.00 0.00 64.34 64.84 1xkh n VAL 784 Cb 0.50 -0.21 0.59 0.00 -0.91 0.00 0.00 33.84 33.81 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 -1.71 0.00 -3.46 3.52 3.72 -1.26 -4.91 117.46 113.35 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 -0.93 -6.08 -4.56 4.37 2.03 0.30 -4.84 116.55 106.83 1xkh n ASP 786 Ca 0.15 -0.78 -0.41 0.00 0.52 0.00 0.00 54.79 54.26 1xkh n ASP 786 Cb 0.07 -4.13 -0.03 0.00 -0.72 0.00 0.00 41.12 36.31 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 -4.99 3.31 -0.46 -0.67 2.47 -1.26 -4.86 119.74 113.28 1xkh s LYS 787 Ca 0.38 0.02 -0.26 0.00 -1.56 0.00 0.00 55.97 54.54 1xkh s LYS 787 Cb -0.10 -4.12 -0.07 0.00 -1.46 0.00 0.00 37.83 32.08 1xkh s LYS 787 CO 0.81 -1.97 2.40 -2.37 0.16 0.00 0.00 175.35 174.38 1xkh n THR 788 N 6.54 -0.03 -4.35 3.43 5.66 -1.26 -4.88 114.28 119.39 1xkh n THR 788 Ca 0.06 -0.75 -0.19 0.00 -3.05 0.00 0.00 64.05 60.12 1xkh n THR 788 Cb 0.49 -2.75 -0.09 0.00 -1.55 0.00 0.00 70.33 66.43 1xkh n THR 788 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1xkh s TYR 789 N 11.71 1.62 -0.05 1.09 -0.85 -1.26 -5.05 117.35 124.57 1xkh s TYR 789 Ca 0.99 -1.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1xkh s TYR 789 Cb -0.21 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.22 1xkh s TYR 789 CO 0.28 -0.51 -0.01 0.71 -1.52 0.00 0.00 175.55 174.50 1xkh s TYR 790 N -3.57 3.08 -0.13 -3.49 2.02 -1.26 -2.24 117.35 111.75 1xkh s TYR 790 Ca 0.35 0.12 0.17 0.00 -0.37 0.00 0.00 57.07 57.34 1xkh s TYR 790 Cb 0.05 -1.72 -0.25 0.00 -0.40 0.00 0.00 41.96 39.63 1xkh s TYR 790 CO 0.18 0.44 0.19 -2.37 -1.57 0.00 0.00 175.55 172.41 1xkh n THR 791 N 1.85 0.83 -3.75 -0.71 5.66 -0.45 -4.89 114.28 112.82 1xkh n THR 791 Ca -0.17 -0.67 -0.13 0.00 -3.05 0.00 0.00 64.05 60.03 1xkh n THR 791 Cb 0.53 -0.32 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 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 -4.92 -0.25 0.00 1.09 4.22 -1.24 -3.70 114.94 110.13 1xkh s ASN 792 Ca -0.08 0.28 0.00 0.00 -2.14 0.00 0.00 52.86 50.91 1xkh s ASN 792 Cb 0.08 0.43 0.00 0.00 1.28 0.00 0.00 41.25 43.04 1xkh s ASN 792 CO 0.77 -0.36 0.00 -0.38 -2.04 0.00 0.00 177.10 175.10 1xkh n ILE 793 N 1.73 0.00 -1.78 0.54 5.41 -1.26 -2.83 119.36 121.18 1xkh n ILE 793 Ca -0.19 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.26 1xkh n ILE 793 Cb 0.56 -0.10 0.04 0.00 -0.71 0.00 0.00 39.64 39.43 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 0.92 6.10 3.43 7.39 0.00 -1.26 -4.01 105.19 117.76 1xkh n GLY 794 Ca 0.00 -2.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.08 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 -3.72 3.24 -0.72 1.61 5.36 -1.26 -4.40 117.98 118.09 1xkh s PHE 795 Ca 0.56 -0.71 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1xkh s PHE 795 Cb 0.45 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 1xkh s PHE 795 CO -0.03 -0.59 0.00 0.66 -1.46 0.00 0.00 175.22 173.80 1xkh n TYR 796 N 5.09 -0.98 -2.16 10.12 4.01 -1.26 -0.86 117.16 131.12 1xkh n TYR 796 Ca -0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.59 1xkh n TYR 796 Cb 0.47 -1.91 0.02 0.00 -0.31 0.00 0.00 39.34 37.60 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 -1.97 -4.41 -3.69 -0.72 -1.04 -1.26 -4.90 114.28 96.29 1xkh n THR 797 Ca -0.08 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1xkh n THR 797 Cb 0.34 -4.59 0.00 0.00 -1.82 0.00 0.00 70.33 64.26 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 -1.81 0.00 -3.58 8.00 3.41 -0.03 -3.25 113.62 116.36 1xkh n SER 798 Ca -0.02 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 1xkh n SER 798 Cb 0.53 0.00 -0.05 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 -1.85 -1.94 -0.01 7.33 0.00 -1.13 -4.16 121.76 120.00 1xkh s ALA 799 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1xkh s ALA 799 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1xkh s ALA 799 CO 0.00 -0.35 -0.01 -1.12 0.00 0.00 0.00 175.76 174.28 1xkh s SER 800 N -1.29 0.22 1.02 0.00 0.01 -1.13 0.22 113.70 112.76 1xkh s SER 800 Ca 0.00 -0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 1xkh s SER 800 Cb -0.01 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.23 1xkh s SER 800 CO -0.01 -0.02 0.38 -1.22 0.41 0.00 0.00 173.24 172.79 1xkh n TYR 801 N 3.37 -3.83 -4.75 2.43 4.01 -1.26 -1.33 117.16 115.79 1xkh n TYR 801 Ca -0.17 -0.34 -0.32 0.00 -0.16 0.00 0.00 57.90 56.91 1xkh n TYR 801 Cb 0.57 -0.32 -0.17 0.00 -0.31 0.00 0.00 39.34 39.11 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 -3.69 1.30 -0.17 2.72 0.00 -0.95 -4.23 107.32 102.30 1xkh s GLY 802 Ca 0.22 -1.01 -0.05 0.00 0.00 0.00 0.00 44.72 43.88 1xkh s GLY 802 CO 0.16 -0.05 0.45 1.22 0.00 0.00 0.00 173.10 174.88 1xkh n ASP 803 N 3.97 0.05 -4.77 1.64 8.00 -1.26 -4.72 116.55 119.47 1xkh n ASP 803 Ca -0.20 0.04 -0.38 0.00 0.71 0.00 0.00 54.79 54.95 1xkh n ASP 803 Cb 0.52 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 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 1.50 4.58 0.00 -0.24 0.04 -1.26 -4.70 135.00 134.93 1xkh s PRO 804 Ca 0.23 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1xkh s PRO 804 Cb -0.22 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1xkh s PRO 804 CO 0.09 0.24 0.00 -2.13 0.04 0.00 0.00 177.00 175.23 1xkh n ARG 805 N 0.83 0.00 -2.73 4.56 0.63 -1.26 -4.91 116.66 113.78 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 0.48 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.41 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 5.78 0.22 6.15 0.01 -1.26 -4.82 114.94 121.01 1xkh s ASN 806 Ca 0.00 0.50 -0.19 0.00 -0.71 0.00 0.00 52.86 52.46 1xkh s ASN 806 Cb 0.00 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 40.03 1xkh s ASN 806 CO 0.00 -0.83 0.59 -0.22 -1.51 0.00 0.00 177.10 175.14 1xkh s LEU 807 N -4.74 -0.13 0.02 0.60 2.96 -1.26 -2.54 118.68 113.59 1xkh s LEU 807 Ca 0.50 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.83 1xkh s LEU 807 Cb -0.10 2.38 0.01 0.00 0.50 0.00 0.00 46.19 48.99 1xkh s LEU 807 CO 0.41 -1.13 0.26 -0.36 -1.32 0.00 0.00 176.35 174.21 1xkh s PHE 809 N -3.87 -0.07 0.17 5.38 0.40 -0.66 -0.66 117.98 118.67 1xkh s PHE 809 Ca 0.09 -0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.31 1xkh s PHE 809 Cb -0.02 0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.54 1xkh s PHE 809 CO -0.01 -0.42 0.30 0.45 0.70 0.00 0.00 175.22 176.24 1xkh s SER 810 N -1.75 0.02 -0.09 1.36 0.15 -0.27 -2.14 113.70 110.98 1xkh s SER 810 Ca -0.09 -0.87 -0.08 0.00 0.70 0.00 0.00 55.95 55.62 1xkh s SER 810 Cb -0.03 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1xkh s SER 810 CO -0.00 -0.91 0.24 0.42 1.20 0.00 0.00 173.24 174.18 1xkh s THR 811 N -3.97 -0.01 0.00 6.45 -4.23 -1.26 -2.34 115.64 110.28 1xkh s THR 811 Ca 0.18 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1xkh s THR 811 Cb 0.03 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.53 1xkh s THR 811 CO 0.01 0.01 0.00 -1.14 -0.54 0.00 0.00 174.62 172.96 1xkh n ARG 812 N 3.21 0.56 -1.17 3.99 3.00 0.84 -3.04 116.66 124.05 1xkh n ARG 812 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.40 1xkh n ARG 812 Cb 0.57 0.00 0.21 0.00 0.00 0.00 0.00 32.46 33.25 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 -0.10 1.12 0.00 -0.14 1.48 -1.20 -4.42 118.94 115.67 1xkh s TRP 813 Ca 0.00 0.64 0.00 0.00 -1.06 0.00 0.00 56.10 55.68 1xkh s TRP 813 Cb 0.00 -3.43 0.00 0.00 -1.16 0.00 0.00 33.47 28.88 1xkh s TRP 813 CO 0.00 -3.47 0.00 -3.47 -4.06 0.00 0.00 176.95 165.95 1xkh n ASP 814 N -4.50 0.00 0.00 -2.66 -0.08 -1.26 -3.38 116.55 104.66 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