#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1u n GLN 139 N 0.00 0.31 0.20 -1.46 -0.06 -1.26 -3.97 117.38 111.14 1y1u n GLN 139 Ca 0.00 0.14 0.09 0.00 -2.00 0.00 0.00 57.00 55.23 1y1u n GLN 139 Cb 0.00 -1.02 0.30 0.00 -4.06 0.00 0.00 30.24 25.46 1y1u n GLN 139 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1y1u h LYS 140 N -0.53 0.00 0.04 3.69 6.56 -2.07 -2.66 116.57 121.60 1y1u h LYS 140 Ca -0.36 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.23 1y1u h LYS 140 Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 1y1u h LYS 140 CO -0.22 0.24 -0.02 0.45 -2.06 0.00 0.00 179.45 177.84 1y1u h HIS 141 N 0.00 -0.05 0.00 -1.35 3.86 -2.02 -3.25 115.15 112.34 1y1u h HIS 141 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1y1u h HIS 141 Cb 0.96 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1y1u h HIS 141 CO 0.00 0.37 0.00 1.28 0.86 0.00 0.00 177.93 180.44 1y1u n LEU 142 N -4.76 0.15 -0.11 2.43 7.99 -1.18 0.13 117.00 121.64 1y1u n LEU 142 Ca -0.05 -0.07 -0.19 0.00 -0.01 0.00 0.00 56.01 55.69 1y1u n LEU 142 Cb 0.21 -0.07 -0.12 0.00 -0.11 0.00 0.00 43.42 43.33 1y1u n LEU 142 CO 0.16 0.04 -1.28 1.67 -1.51 0.00 0.00 177.39 176.46 1y1u n GLN 143 N 0.04 0.66 0.20 3.23 7.27 -1.01 -4.45 117.38 123.33 1y1u n GLN 143 Ca 0.00 0.16 0.08 0.00 0.07 0.00 0.00 57.00 57.31 1y1u n GLN 143 Cb 0.04 -1.54 0.30 0.00 2.41 0.00 0.00 30.24 31.45 1y1u n GLN 143 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1y1u h ILE 144 N -0.00 0.60 0.00 1.69 3.07 -0.39 -2.63 117.51 119.84 1y1u h ILE 144 Ca -0.56 -1.44 -0.01 0.00 1.55 0.00 0.00 64.86 64.41 1y1u h ILE 144 Cb 1.91 1.98 -0.00 0.00 -0.27 0.00 0.00 36.82 40.45 1y1u h ILE 144 CO -0.07 0.28 -0.03 0.78 -1.05 0.00 0.00 178.15 178.06 1y1u h ASN 145 N 0.00 0.00 0.00 2.16 2.35 -1.74 0.35 115.58 118.70 1y1u h ASN 145 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1y1u h ASN 145 Cb 0.96 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1y1u h ASN 145 CO 0.04 0.03 -0.47 1.56 -1.65 0.00 0.00 177.43 176.93 1y1u h GLN 146 N 0.00 0.00 -0.79 0.81 4.20 -1.71 -3.20 115.11 114.42 1y1u h GLN 146 Ca -0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 1y1u h GLN 146 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1y1u h GLN 146 CO 0.00 0.30 0.85 -0.09 -0.67 0.00 0.00 178.83 179.22 1y1u h ARG 147 N -1.00 0.00 0.00 1.46 2.43 -1.33 1.12 114.38 117.06 1y1u h ARG 147 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1y1u h ARG 147 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1y1u h ARG 147 CO -0.04 0.00 -0.00 0.74 -1.51 0.00 0.00 179.97 179.16 1y1u h PHE 148 N 0.00 -0.00 0.00 2.20 0.05 -1.07 -3.05 116.94 115.08 1y1u h PHE 148 Ca 0.38 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.17 1y1u h PHE 148 Cb 2.07 0.00 0.00 0.00 2.00 0.00 0.00 35.95 40.02 1y1u h PHE 148 CO 0.00 0.72 0.00 -0.85 -0.18 0.00 0.00 178.31 178.00 1y1u n GLU 149 N -4.75 0.02 0.15 1.51 0.28 0.36 0.12 120.64 118.33 1y1u n GLU 149 Ca -0.09 0.10 -0.07 0.00 -0.16 0.00 0.00 57.16 56.94 1y1u n GLU 149 Cb 0.35 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 1y1u n GLU 149 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1y1u h GLU 150 N 0.00 -0.41 -1.00 3.44 4.39 -0.86 -2.81 114.58 117.33 1y1u h GLU 150 Ca 0.00 0.03 0.39 0.00 0.34 0.00 0.00 59.36 60.11 1y1u h GLU 150 Cb 0.44 0.09 -0.18 0.00 -0.10 0.00 0.00 28.75 29.01 1y1u h GLU 150 CO 0.00 -0.28 0.45 -0.07 -1.16 0.00 0.00 179.01 177.95 1y1u h LEU 151 N -0.92 0.18 0.55 1.33 3.38 -1.34 0.54 115.31 119.04 1y1u h LEU 151 Ca -0.04 0.26 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1y1u h LEU 151 Cb 0.33 0.30 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1y1u h LEU 151 CO 0.07 -0.41 -0.27 -0.09 0.09 0.00 0.00 178.44 177.84 1y1u h ARG 152 N 0.02 -0.72 -0.13 1.13 9.65 -0.37 -0.61 114.38 123.36 1y1u h ARG 152 Ca 0.80 0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 59.60 1y1u h ARG 152 Cb 2.02 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.77 1y1u h ARG 152 CO -0.79 -0.46 -0.41 1.37 2.80 0.00 0.00 179.97 182.48 1y1u h LEU 153 N -0.78 0.58 -0.27 3.80 8.10 -0.37 0.58 115.31 126.97 1y1u h LEU 153 Ca -0.08 -0.60 0.06 0.00 0.11 0.00 0.00 57.88 57.37 1y1u h LEU 153 Cb 0.59 -0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 40.57 1y1u h LEU 153 CO 0.13 1.08 -0.15 -0.29 -4.11 0.00 0.00 178.44 175.10 1y1u h ILE 154 N 0.12 0.56 -1.00 0.15 6.09 -0.19 -0.02 117.51 123.21 1y1u h ILE 154 Ca -0.01 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.58 1y1u h ILE 154 Cb 1.03 0.56 -0.08 0.00 0.47 0.00 0.00 36.82 38.80 1y1u h ILE 154 CO 0.09 0.00 0.64 0.74 -3.07 0.00 0.00 178.15 176.54 1y1u h THR 155 N -0.12 0.98 0.00 2.19 2.02 -0.97 -2.00 112.91 115.02 1y1u h THR 155 Ca 0.14 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1y1u h THR 155 Cb 0.34 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1y1u h THR 155 CO -0.34 0.19 0.00 1.67 0.37 0.00 0.00 175.52 177.41 1y1u n GLN 156 N -4.57 0.20 -0.05 6.66 -0.06 0.20 -2.80 117.38 116.97 1y1u n GLN 156 Ca 0.17 0.37 -0.01 0.00 -2.00 0.00 0.00 57.00 55.54 1y1u n GLN 156 Cb 0.29 -1.84 -0.13 0.00 -4.06 0.00 0.00 30.24 24.50 1y1u n GLN 156 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1y1u n ASP 157 N -2.20 1.13 -0.30 1.69 3.85 -0.22 -4.12 116.55 116.37 1y1u n ASP 157 Ca 0.03 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.13 1y1u n ASP 157 Cb 0.26 1.25 0.16 0.00 -1.35 0.00 0.00 41.12 41.44 1y1u n ASP 157 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1y1u h THR 158 N 0.00 0.96 0.00 2.12 1.35 -1.20 0.29 112.91 116.43 1y1u h THR 158 Ca -0.25 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1y1u h THR 158 Cb 1.48 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1y1u h THR 158 CO 0.01 0.16 0.00 -1.84 -0.25 0.00 0.00 175.52 173.60 1y1u n GLU 159 N -4.69 0.35 0.09 4.72 0.00 -1.23 0.08 120.64 119.96 1y1u n GLU 159 Ca 0.13 0.04 -0.19 0.00 0.00 0.00 0.00 57.16 57.14 1y1u n GLU 159 Cb 0.25 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.07 1y1u n GLU 159 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1y1u h ASN 160 N 0.00 0.75 0.59 -1.84 2.35 -0.64 -0.97 115.58 115.81 1y1u h ASN 160 Ca 0.00 -0.68 -0.03 0.00 -0.55 0.00 0.00 56.30 55.05 1y1u h ASN 160 Cb 0.26 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.40 1y1u h ASN 160 CO 0.00 1.49 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.66 1y1u h GLU 161 N 0.25 -0.77 -0.67 0.81 3.07 -0.91 -3.17 114.58 113.20 1y1u h GLU 161 Ca -0.15 0.05 0.14 0.00 -0.50 0.00 0.00 59.36 58.90 1y1u h GLU 161 Cb 1.84 0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 29.81 1y1u h GLU 161 CO 0.22 -0.48 -0.05 1.25 -1.40 0.00 0.00 179.01 178.55 1y1u h LEU 162 N -0.89 -0.40 0.23 1.33 7.12 -0.31 0.40 115.31 122.78 1y1u h LEU 162 Ca -0.08 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 1y1u h LEU 162 Cb 0.64 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1y1u h LEU 162 CO 0.13 -0.17 -0.17 0.50 -0.13 0.00 0.00 178.44 178.61 1y1u h LYS 163 N 0.07 -0.38 -0.26 1.25 3.11 -1.29 -1.08 116.57 117.99 1y1u h LYS 163 Ca 0.34 0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 58.03 1y1u h LYS 163 Cb 0.57 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1y1u h LYS 163 CO -0.61 -0.25 -0.56 1.57 -2.81 0.00 0.00 179.45 176.79 1y1u h LYS 164 N -0.40 0.83 0.00 1.90 2.10 -1.13 -0.62 116.57 119.25 1y1u h LYS 164 Ca -0.01 -0.55 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 1y1u h LYS 164 Cb 0.35 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1y1u h LYS 164 CO -0.00 1.18 0.16 -0.11 -2.00 0.00 0.00 179.45 178.68 1y1u n LEU 165 N -4.04 0.32 -0.04 7.07 -0.00 0.13 0.08 117.00 120.52 1y1u n LEU 165 Ca -0.05 0.58 0.04 0.00 -0.00 0.00 0.00 56.01 56.58 1y1u n LEU 165 Cb 0.63 -0.57 -0.16 0.00 -0.00 0.00 0.00 43.42 43.31 1y1u n LEU 165 CO 0.50 -0.68 -0.88 1.67 -0.00 0.00 0.00 177.39 178.00 1y1u n GLN 166 N -1.94 0.68 -0.06 1.96 0.00 -0.36 -3.38 117.38 114.28 1y1u n GLN 166 Ca -0.01 -0.14 -0.11 0.00 -0.00 0.00 0.00 57.00 56.74 1y1u n GLN 166 Cb 0.18 -1.51 -0.05 0.00 0.00 0.00 0.00 30.24 28.86 1y1u n GLN 166 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1y1u h GLN 167 N 0.00 0.31 0.00 3.69 4.20 0.90 -2.05 115.11 122.16 1y1u h GLN 167 Ca -0.17 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1y1u h GLN 167 Cb 1.37 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1y1u h GLN 167 CO 0.01 0.48 0.00 2.41 -0.67 0.00 0.00 178.83 181.06 1y1u n THR 168 N -4.75 0.00 -0.30 -0.54 -1.04 0.53 -0.82 114.28 107.36 1y1u n THR 168 Ca -0.04 1.50 0.02 0.00 -2.04 0.00 0.00 64.05 63.48 1y1u n THR 168 Cb 0.19 -2.10 0.09 0.00 -1.82 0.00 0.00 70.33 66.69 1y1u n THR 168 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1y1u h GLN 169 N 0.00 -0.02 -0.92 -2.82 4.20 -1.62 0.70 115.11 114.62 1y1u h GLN 169 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1y1u h GLN 169 Cb 0.00 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1y1u h GLN 169 CO 0.00 -0.01 0.61 1.49 -0.67 0.00 0.00 178.83 180.24 1y1u h GLU 170 N -0.02 1.13 0.13 1.46 4.57 -0.83 0.19 114.58 121.21 1y1u h GLU 170 Ca 0.38 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1y1u h GLU 170 Cb 0.61 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1y1u h GLU 170 CO -0.87 0.75 -0.06 -0.92 -1.18 0.00 0.00 179.01 176.72 1y1u h TYR 171 N 1.16 -0.16 -1.07 0.92 -0.00 0.67 -3.13 116.97 115.36 1y1u h TYR 171 Ca 0.37 -0.00 0.34 0.00 -0.00 0.00 0.00 58.73 59.43 1y1u h TYR 171 Cb 0.01 0.05 -0.14 0.00 -0.00 0.00 0.00 36.73 36.66 1y1u h TYR 171 CO -0.00 0.15 0.64 0.35 -0.00 0.00 0.00 178.16 179.30 1y1u h PHE 172 N -0.99 0.81 -0.62 -3.82 3.57 0.52 0.39 116.94 116.80 1y1u h PHE 172 Ca -0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1y1u h PHE 172 Cb 0.38 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1y1u h PHE 172 CO 0.07 -0.14 0.03 0.82 -2.23 0.00 0.00 178.31 176.85 1y1u h ILE 173 N 0.29 1.26 0.00 1.41 2.04 -0.68 -1.46 117.51 120.38 1y1u h ILE 173 Ca 0.73 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1y1u h ILE 173 Cb 1.83 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1y1u h ILE 173 CO -0.52 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.04 1y1u n ILE 174 N -4.19 0.69 0.02 -0.67 0.13 0.13 -2.64 119.36 112.83 1y1u n ILE 174 Ca 0.03 0.03 -0.05 0.00 -1.10 0.00 0.00 62.75 61.66 1y1u n ILE 174 Cb 0.33 -0.88 -0.04 0.00 -0.84 0.00 0.00 39.64 38.22 1y1u n ILE 174 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1y1u h GLN 175 N 0.00 -0.15 -0.67 9.51 1.08 -0.70 0.96 115.11 125.14 1y1u h GLN 175 Ca 0.00 0.01 0.24 0.00 -1.45 0.00 0.00 58.65 57.45 1y1u h GLN 175 Cb 0.50 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.89 1y1u h GLN 175 CO 0.00 0.08 0.42 0.98 -0.95 0.00 0.00 178.83 179.37 1y1u n TYR 176 N -4.86 0.39 -0.07 2.96 -0.00 -0.61 0.00 117.16 114.97 1y1u n TYR 176 Ca -0.04 0.40 -0.22 0.00 -0.00 0.00 0.00 57.90 58.03 1y1u n TYR 176 Cb 0.15 -0.78 -0.12 0.00 -0.00 0.00 0.00 39.34 38.59 1y1u n TYR 176 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1y1u n GLN 177 N -3.75 0.64 -0.11 2.98 6.02 -1.08 -2.58 117.38 119.49 1y1u n GLN 177 Ca 0.20 0.40 0.25 0.00 -0.01 0.00 0.00 57.00 57.84 1y1u n GLN 177 Cb 0.78 -1.69 0.71 0.00 1.02 0.00 0.00 30.24 31.06 1y1u n GLN 177 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1y1u h GLU 178 N -0.55 0.00 0.24 -1.09 4.57 0.10 0.49 114.58 118.35 1y1u h GLU 178 Ca -0.44 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 1y1u h GLU 178 Cb 1.64 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1y1u h GLU 178 CO -0.12 0.00 -0.12 1.03 -1.18 0.00 0.00 179.01 178.62 1y1u h SER 179 N 0.00 -0.27 -0.64 1.04 0.87 -0.49 -2.18 113.55 111.88 1y1u h SER 179 Ca 0.36 -0.25 0.14 0.00 -1.23 0.00 0.00 61.79 60.81 1y1u h SER 179 Cb 1.45 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 1y1u h SER 179 CO -0.00 0.21 0.44 -0.07 -0.53 0.00 0.00 176.83 176.88 1y1u h LEU 180 N -0.88 0.25 0.50 2.23 4.07 -1.12 -2.63 115.31 117.72 1y1u h LEU 180 Ca -0.03 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1y1u h LEU 180 Cb 0.51 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1y1u h LEU 180 CO 0.05 0.13 -0.24 -0.09 -1.08 0.00 0.00 178.44 177.22 1y1u h ARG 181 N 0.27 -0.64 -1.18 1.13 9.65 0.10 -2.59 114.38 121.11 1y1u h ARG 181 Ca 0.31 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1y1u h ARG 181 Cb 0.85 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1y1u h ARG 181 CO -0.07 -0.43 0.00 0.44 2.80 0.00 0.00 179.97 182.71 1y1u n ILE 182 N -3.83 0.57 0.02 1.20 -5.35 -0.83 -2.64 119.36 108.49 1y1u n ILE 182 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1y1u n ILE 182 Cb 0.26 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 1y1u n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1y1u n GLN 183 N 0.55 0.00 0.00 6.28 1.13 -1.14 -4.48 117.38 119.72 1y1u n GLN 183 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1y1u n GLN 183 Cb 0.32 -0.40 0.26 0.00 0.11 0.00 0.00 30.24 30.53 1y1u n GLN 183 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y1u n ALA 184 N -3.03 2.09 0.59 -1.58 0.00 -0.98 -1.12 120.51 116.49 1y1u n ALA 184 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1y1u n ALA 184 Cb 0.31 -1.14 0.38 0.00 0.00 0.00 0.00 19.45 19.00 1y1u n ALA 184 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y1u h GLN 185 N 0.00 0.00 0.14 0.00 1.08 -1.75 -3.23 115.11 111.35 1y1u h GLN 185 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1y1u h GLN 185 Cb 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1y1u h GLN 185 CO 0.00 0.00 -0.93 0.74 -0.95 0.00 0.00 178.83 177.69 1y1u h PHE 186 N 0.00 0.67 0.00 2.96 0.05 -1.39 -3.04 116.94 116.19 1y1u h PHE 186 Ca 0.00 -0.46 0.00 0.00 3.82 0.00 0.00 57.97 61.33 1y1u h PHE 186 Cb 0.76 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.67 1y1u h PHE 186 CO 0.00 1.34 0.00 0.00 -0.18 0.00 0.00 178.31 179.47 1y1u n ALA 187 N -2.67 1.44 0.05 2.45 0.00 -1.24 -2.51 120.51 118.03 1y1u n ALA 187 Ca -0.14 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.31 1y1u n ALA 187 Cb 0.86 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 19.24 1y1u n ALA 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1u n GLN 188 N -1.49 1.82 0.00 0.00 6.02 -1.21 -4.45 117.38 118.07 1y1u n GLN 188 Ca 0.02 -1.53 0.10 0.00 -0.01 0.00 0.00 57.00 55.58 1y1u n GLN 188 Cb 0.11 -1.17 0.57 0.00 1.02 0.00 0.00 30.24 30.76 1y1u n GLN 188 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1y1u n LEU 189 N 0.30 0.00 0.31 1.08 -0.00 -1.04 -3.75 117.00 113.89 1y1u n LEU 189 Ca 0.07 0.00 0.16 0.00 -0.00 0.00 0.00 56.01 56.24 1y1u n LEU 189 Cb 0.30 0.00 0.85 0.00 -0.00 0.00 0.00 43.42 44.58 1y1u n LEU 189 CO 0.05 0.00 1.08 1.23 -0.00 0.00 0.00 177.39 179.76 1y1u h GLY 190 N 3.22 0.00 -7.23 1.47 0.00 -1.80 -3.16 103.07 95.57 1y1u h GLY 190 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1y1u h GLY 190 CO 0.00 0.00 0.40 1.20 0.00 0.00 0.00 176.54 178.14 1y1u s GLN 191 N -3.99 3.10 -0.30 4.80 -0.21 -1.25 -4.99 119.66 116.83 1y1u s GLN 191 Ca -0.03 -1.03 -0.03 0.00 0.02 0.00 0.00 55.36 54.29 1y1u s GLN 191 Cb 0.09 -4.26 0.10 0.00 1.00 0.00 0.00 33.01 29.94 1y1u s GLN 191 CO 0.28 -1.72 0.13 -1.17 -2.12 0.00 0.00 175.29 170.69 1y1u s LEU 192 N 3.55 1.08 0.00 2.90 0.20 -1.20 -5.00 118.68 120.20 1y1u s LEU 192 Ca 0.19 -1.45 0.00 0.00 0.69 0.00 0.00 54.13 53.56 1y1u s LEU 192 Cb -0.19 -0.51 0.00 0.00 -0.43 0.00 0.00 46.19 45.06 1y1u s LEU 192 CO 0.08 -0.42 0.00 -0.46 -0.29 0.00 0.00 176.35 175.26 1y1u n ASN 193 N 5.06 0.00 0.00 3.68 0.23 -1.26 -4.96 115.26 118.01 1y1u n ASN 193 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1y1u n ASN 193 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 1y1u n ASN 193 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1y1u n PRO 194 N 0.00 0.00 0.02 -0.53 -0.04 -1.26 -4.47 135.00 128.73 1y1u n PRO 194 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1y1u n PRO 194 Cb 0.00 -0.11 0.23 0.00 -0.04 0.00 0.00 33.50 33.59 1y1u n PRO 194 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1y1u h GLN 195 N 0.00 0.45 0.00 0.54 4.20 -2.00 -3.08 115.11 115.22 1y1u h GLN 195 Ca 0.00 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1y1u h GLN 195 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1y1u h GLN 195 CO 0.00 0.65 -0.70 0.93 -0.67 0.00 0.00 178.83 179.04 1y1u h GLU 196 N 0.41 0.00 -0.38 1.46 3.07 -1.94 -0.58 114.58 116.62 1y1u h GLU 196 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1y1u h GLU 196 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1y1u h GLU 196 CO 0.04 0.49 0.00 0.54 -1.40 0.00 0.00 179.01 178.68 1y1u n ARG 197 N -3.17 2.46 -0.06 2.33 1.74 -1.23 -2.14 116.66 116.59 1y1u n ARG 197 Ca -0.00 -2.07 -0.07 0.00 -0.77 0.00 0.00 57.85 54.94 1y1u n ARG 197 Cb 0.77 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 1y1u n ARG 197 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1y1u h MET 198 N 2.81 -0.00 -0.73 5.56 2.86 -1.51 -3.39 114.93 120.53 1y1u h MET 198 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y1u h MET 198 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1y1u h MET 198 CO 0.00 0.46 0.00 -1.13 1.06 0.00 0.00 176.91 177.30 1y1u n SER 199 N -4.70 0.73 0.00 1.22 3.41 -0.23 -0.76 113.62 113.28 1y1u n SER 199 Ca -0.05 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1y1u n SER 199 Cb 0.22 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1y1u n SER 199 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y1u n ARG 200 N -0.02 0.91 -0.04 4.33 1.74 -0.91 -4.20 116.66 118.48 1y1u n ARG 200 Ca 0.00 -0.32 0.07 0.00 -0.77 0.00 0.00 57.85 56.83 1y1u n ARG 200 Cb 0.18 -0.80 0.45 0.00 -1.02 0.00 0.00 32.46 31.27 1y1u n ARG 200 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1y1u h GLU 201 N 0.00 0.49 0.29 5.56 5.08 -1.14 -2.98 114.58 121.89 1y1u h GLU 201 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1y1u h GLU 201 Cb 0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1y1u h GLU 201 CO 0.00 0.33 -0.14 0.00 -1.00 0.00 0.00 179.01 178.20 1y1u h THR 202 N 0.51 0.00 -0.10 1.13 1.03 -1.73 0.54 112.91 114.29 1y1u h THR 202 Ca 0.20 -0.17 0.03 0.00 -0.01 0.00 0.00 66.41 66.46 1y1u h THR 202 Cb 0.17 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 67.25 1y1u h THR 202 CO -0.05 0.00 0.15 0.00 -0.01 0.00 0.00 175.52 175.60 1y1u h ALA 203 N -1.65 1.57 0.20 0.00 0.00 -1.73 -0.32 119.26 117.33 1y1u h ALA 203 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y1u h ALA 203 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y1u h ALA 203 CO 0.07 -0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 178.95 1y1u h LEU 204 N 0.00 -0.23 -1.21 0.00 3.38 -1.41 -2.21 115.31 113.63 1y1u h LEU 204 Ca 0.05 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1y1u h LEU 204 Cb 0.34 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1y1u h LEU 204 CO -0.00 0.30 0.57 1.56 0.09 0.00 0.00 178.44 180.96 1y1u h GLN 205 N -0.95 0.87 -0.31 1.13 4.20 -0.03 -1.45 115.11 118.57 1y1u h GLN 205 Ca -0.03 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1y1u h GLN 205 Cb 0.47 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1y1u h GLN 205 CO 0.05 0.58 -0.22 1.96 -0.67 0.00 0.00 178.83 180.52 1y1u h GLN 206 N 0.90 0.58 0.00 1.46 4.20 -1.17 -1.12 115.11 119.95 1y1u h GLN 206 Ca 0.40 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1y1u h GLN 206 Cb 0.35 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1y1u h GLN 206 CO -0.16 0.76 -0.00 0.87 -0.67 0.00 0.00 178.83 179.63 1y1u h LYS 207 N 0.51 0.00 0.10 1.46 1.57 -0.62 -2.76 116.57 116.84 1y1u h LYS 207 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1y1u h LYS 207 Cb 0.66 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.99 1y1u h LYS 207 CO 0.05 0.00 -0.63 1.96 -0.57 0.00 0.00 179.45 180.26 1y1u h GLN 208 N 0.00 0.22 -0.83 3.15 4.20 -1.00 -2.48 115.11 118.37 1y1u h GLN 208 Ca -0.00 -0.38 0.12 0.00 0.06 0.00 0.00 58.65 58.45 1y1u h GLN 208 Cb 0.66 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.50 1y1u h GLN 208 CO 0.00 1.18 0.44 0.28 -0.67 0.00 0.00 178.83 180.06 1y1u h VAL 209 N -0.53 0.81 -0.26 -0.54 2.07 -1.11 0.57 116.25 117.26 1y1u h VAL 209 Ca -0.11 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1y1u h VAL 209 Cb 1.48 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1y1u h VAL 209 CO 0.11 0.12 -0.37 0.77 0.02 0.00 0.00 177.57 178.22 1y1u h SER 210 N 0.68 0.77 0.49 0.57 4.64 -1.61 -3.01 113.55 116.09 1y1u h SER 210 Ca 0.43 -0.51 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1y1u h SER 210 Cb 0.52 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1y1u h SER 210 CO -0.31 1.13 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.47 1y1u h LEU 211 N 0.43 -0.55 -1.78 5.97 3.38 -0.53 -1.77 115.31 120.46 1y1u h LEU 211 Ca 0.03 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1y1u h LEU 211 Cb 0.96 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1y1u h LEU 211 CO 0.09 -0.37 0.72 -0.33 0.09 0.00 0.00 178.44 178.63 1y1u h GLU 212 N -0.70 0.00 0.24 1.13 5.08 -0.10 0.16 114.58 120.40 1y1u h GLU 212 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1y1u h GLU 212 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1y1u h GLU 212 CO 0.11 0.00 -0.11 1.15 -1.00 0.00 0.00 179.01 179.15 1y1u h THR 213 N 0.00 0.69 -0.54 1.13 2.02 -1.35 -1.02 112.91 113.85 1y1u h THR 213 Ca 0.35 -0.91 0.11 0.00 0.77 0.00 0.00 66.41 66.74 1y1u h THR 213 Cb 1.79 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 69.22 1y1u h THR 213 CO -0.00 0.16 -0.05 -0.25 0.37 0.00 0.00 175.52 175.74 1y1u h TRP 214 N -0.87 -0.14 -0.78 3.16 2.91 0.09 0.43 115.95 120.75 1y1u h TRP 214 Ca -0.03 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1y1u h TRP 214 Cb 0.51 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 1y1u h TRP 214 CO 0.06 -0.18 0.50 -0.07 -1.03 0.00 0.00 178.44 177.72 1y1u h LEU 215 N 0.07 0.91 -0.34 0.65 3.38 -0.85 0.76 115.31 119.89 1y1u h LEU 215 Ca 0.27 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1y1u h LEU 215 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1y1u h LEU 215 CO -0.50 0.68 -0.24 -0.61 0.09 0.00 0.00 178.44 177.86 1y1u h GLN 216 N 1.06 0.76 -0.48 1.13 5.75 -0.75 -2.46 115.11 120.12 1y1u h GLN 216 Ca 0.28 -0.36 -0.12 0.00 -0.15 0.00 0.00 58.65 58.30 1y1u h GLN 216 Cb -0.09 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1y1u h GLN 216 CO -0.06 0.98 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.85 1y1u h ARG 217 N 0.53 0.93 0.00 1.69 9.65 0.10 -2.85 114.38 124.43 1y1u h ARG 217 Ca 0.07 -0.36 -0.17 0.00 -1.10 0.00 0.00 59.98 58.42 1y1u h ARG 217 Cb 0.80 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.30 1y1u h ARG 217 CO 0.06 1.02 -0.79 1.49 2.80 0.00 0.00 179.97 184.55 1y1u h GLU 218 N 0.81 0.00 -0.51 0.20 4.81 0.42 -3.21 114.58 117.11 1y1u h GLU 218 Ca 0.12 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1y1u h GLU 218 Cb 0.71 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 1y1u h GLU 218 CO 0.05 0.79 -0.05 0.00 -0.73 0.00 0.00 179.01 179.07 1y1u h ALA 219 N 1.21 0.43 0.00 2.92 0.00 -1.19 0.65 119.26 123.28 1y1u h ALA 219 Ca -0.01 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1y1u h ALA 219 Cb 1.60 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1y1u h ALA 219 CO 0.10 -0.41 -0.25 -0.56 0.00 0.00 0.00 179.25 178.13 1y1u h GLN 220 N 0.07 0.00 -0.17 0.00 -0.00 -1.63 0.10 115.11 113.47 1y1u h GLN 220 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.87 1y1u h GLN 220 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.87 1y1u h GLN 220 CO -0.47 0.25 -0.02 1.15 -0.00 0.00 0.00 178.83 179.75 1y1u h THR 221 N 0.00 1.27 -0.62 1.86 2.02 -0.83 -0.94 112.91 115.66 1y1u h THR 221 Ca -0.00 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1y1u h THR 221 Cb 0.76 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1y1u h THR 221 CO 0.03 0.27 0.16 0.25 0.37 0.00 0.00 175.52 176.60 1y1u h LEU 222 N 0.05 0.90 -0.19 2.58 5.85 0.73 -1.85 115.31 123.38 1y1u h LEU 222 Ca 0.05 -0.17 -0.22 0.00 0.84 0.00 0.00 57.88 58.37 1y1u h LEU 222 Cb 0.42 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.22 1y1u h LEU 222 CO 0.01 0.87 -0.83 -0.61 -0.34 0.00 0.00 178.44 177.54 1y1u h GLN 223 N 0.92 0.65 0.50 1.25 5.75 -0.98 -2.85 115.11 120.35 1y1u h GLN 223 Ca 0.20 -0.58 -0.02 0.00 -0.15 0.00 0.00 58.65 58.10 1y1u h GLN 223 Cb 0.32 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1y1u h GLN 223 CO -0.00 1.19 -0.24 0.37 -2.65 0.00 0.00 178.83 177.50 1y1u h GLN 224 N 0.43 -0.65 -0.73 1.69 4.15 -0.99 -1.73 115.11 117.28 1y1u h GLN 224 Ca -0.06 0.04 0.16 0.00 0.77 0.00 0.00 58.65 59.56 1y1u h GLN 224 Cb 1.45 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 29.18 1y1u h GLN 224 CO 0.16 -0.35 0.17 1.88 -1.93 0.00 0.00 178.83 178.77 1y1u h TYR 225 N -1.02 0.27 -0.09 3.99 0.99 -1.46 0.15 116.97 119.80 1y1u h TYR 225 Ca -0.07 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.75 1y1u h TYR 225 Cb 0.60 -0.01 -0.06 0.00 1.00 0.00 0.00 36.73 38.27 1y1u h TYR 225 CO 0.01 -0.08 -0.33 -0.09 -0.00 0.00 0.00 178.16 177.67 1y1u h ARG 226 N 0.27 -0.41 -0.85 4.88 9.65 -1.45 0.10 114.38 126.58 1y1u h ARG 226 Ca 0.41 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.37 1y1u h ARG 226 Cb 0.70 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.32 1y1u h ARG 226 CO -0.51 -0.27 0.54 0.28 2.80 0.00 0.00 179.97 182.80 1y1u h VAL 227 N -0.43 1.09 -0.50 0.20 2.07 -0.20 -1.48 116.25 117.00 1y1u h VAL 227 Ca 0.08 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1y1u h VAL 227 Cb 0.55 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1y1u h VAL 227 CO -0.33 0.18 0.30 -0.33 0.02 0.00 0.00 177.57 177.42 1y1u h GLU 228 N 1.01 0.58 -0.13 1.57 4.39 0.79 -0.96 114.58 121.82 1y1u h GLU 228 Ca 0.35 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.84 1y1u h GLU 228 Cb 0.09 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1y1u h GLU 228 CO -0.14 0.38 -0.65 1.25 -1.16 0.00 0.00 179.01 178.69 1y1u h LEU 229 N 0.59 0.59 -0.40 1.33 7.12 -0.65 -1.05 115.31 122.84 1y1u h LEU 229 Ca 0.20 -0.35 -0.06 0.00 0.13 0.00 0.00 57.88 57.80 1y1u h LEU 229 Cb 0.03 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 39.97 1y1u h LEU 229 CO -0.10 1.08 0.01 0.00 -0.13 0.00 0.00 178.44 179.31 1y1u h ALA 230 N 0.92 0.54 -0.00 1.25 0.00 -0.68 -1.65 119.26 119.63 1y1u h ALA 230 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y1u h ALA 230 Cb 1.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1y1u h ALA 230 CO 0.12 0.30 -0.00 -0.85 0.00 0.00 0.00 179.25 178.82 1y1u n GLU 231 N -4.46 0.66 0.13 0.00 0.28 -0.42 -1.40 120.64 115.43 1y1u n GLU 231 Ca -0.01 -0.02 -0.24 0.00 -0.16 0.00 0.00 57.16 56.74 1y1u n GLU 231 Cb 0.28 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.49 1y1u n GLU 231 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1y1u h LYS 232 N 0.04 0.50 0.15 3.44 1.63 -0.50 -3.13 116.57 118.70 1y1u h LYS 232 Ca 0.00 -0.86 -0.01 0.00 -0.85 0.00 0.00 60.65 58.94 1y1u h LYS 232 Cb 0.18 0.32 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1y1u h LYS 232 CO 0.00 1.41 -0.07 0.45 -3.45 0.00 0.00 179.45 177.79 1y1u h HIS 233 N 0.14 -0.18 -0.56 1.91 3.86 -0.90 -0.09 115.15 119.32 1y1u h HIS 233 Ca -0.28 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.14 1y1u h HIS 233 Cb 2.15 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 30.58 1y1u h HIS 233 CO 0.12 0.15 0.20 0.94 0.86 0.00 0.00 177.93 180.20 1y1u n GLN 234 N -5.02 -0.04 -0.04 2.45 -0.06 -0.49 -0.99 117.38 113.18 1y1u n GLN 234 Ca -0.09 0.80 -0.08 0.00 -2.00 0.00 0.00 57.00 55.63 1y1u n GLN 234 Cb 0.22 -1.38 -0.07 0.00 -4.06 0.00 0.00 30.24 24.95 1y1u n GLN 234 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1y1u h LYS 235 N 0.00 -0.03 -0.54 3.69 1.63 -1.14 -2.78 116.57 117.39 1y1u h LYS 235 Ca 0.43 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.30 1y1u h LYS 235 Cb 1.06 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.64 1y1u h LYS 235 CO -0.47 0.49 0.21 0.00 -3.45 0.00 0.00 179.45 176.23 1y1u h THR 236 N -0.98 0.83 -0.21 1.00 1.03 0.50 -2.49 112.91 112.58 1y1u h THR 236 Ca -0.00 -0.14 0.05 0.00 -0.01 0.00 0.00 66.41 66.31 1y1u h THR 236 Cb 0.53 0.39 -0.05 0.00 -1.07 0.00 0.00 68.15 67.95 1y1u h THR 236 CO 0.01 0.07 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.40 1y1u h LEU 237 N 0.40 -0.40 -0.67 0.00 3.38 -1.19 0.01 115.31 116.84 1y1u h LEU 237 Ca 0.26 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.45 1y1u h LEU 237 Cb 0.28 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 1y1u h LEU 237 CO -0.25 -0.16 -0.23 -0.61 0.09 0.00 0.00 178.44 177.28 1y1u h GLN 238 N -0.11 -0.05 -0.64 1.13 5.75 -1.16 0.85 115.11 120.89 1y1u h GLN 238 Ca 0.12 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1y1u h GLN 238 Cb 0.28 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 1y1u h GLN 238 CO -0.28 -0.04 0.28 1.25 -2.65 0.00 0.00 178.83 177.39 1y1u h LEU 239 N -0.06 0.86 -0.93 -2.39 5.85 -1.17 -2.05 115.31 115.43 1y1u h LEU 239 Ca 0.30 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1y1u h LEU 239 Cb 0.53 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1y1u h LEU 239 CO -0.71 0.77 0.27 0.25 -0.34 0.00 0.00 178.44 178.68 1y1u h LEU 240 N 0.89 0.97 -1.87 2.25 5.85 0.44 -1.16 115.31 122.67 1y1u h LEU 240 Ca 0.22 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1y1u h LEU 240 Cb 0.17 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1y1u h LEU 240 CO -0.02 0.87 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.72 1y1u h ARG 241 N 1.03 0.00 0.38 1.25 9.65 0.10 0.10 114.38 126.90 1y1u h ARG 241 Ca 0.24 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1y1u h ARG 241 Cb 0.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1y1u h ARG 241 CO -0.02 0.13 -0.18 -0.22 2.80 0.00 0.00 179.97 182.48 1y1u h LYS 242 N 0.00 -0.50 -0.15 0.20 1.63 -0.55 -2.33 116.57 114.88 1y1u h LYS 242 Ca -0.00 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1y1u h LYS 242 Cb 0.31 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.98 1y1u h LYS 242 CO 0.02 -0.28 -0.52 0.37 -3.45 0.00 0.00 179.45 175.59 1y1u h GLN 243 N -1.10 -0.53 -0.82 1.90 5.75 -1.17 0.11 115.11 119.25 1y1u h GLN 243 Ca -0.05 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1y1u h GLN 243 Cb 0.45 0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.02 1y1u h GLN 243 CO 0.09 -0.36 -0.49 0.94 -2.65 0.00 0.00 178.83 176.36 1y1u n GLN 244 N -5.43 -0.36 0.06 1.69 -0.06 0.01 0.09 117.38 113.37 1y1u n GLN 244 Ca -0.05 1.30 -0.11 0.00 -2.00 0.00 0.00 57.00 56.13 1y1u n GLN 244 Cb 0.38 -1.92 -0.05 0.00 -4.06 0.00 0.00 30.24 24.59 1y1u n GLN 244 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1y1u h THR 245 N 0.00 0.38 -0.19 1.69 2.02 -0.81 0.65 112.91 116.65 1y1u h THR 245 Ca 0.13 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1y1u h THR 245 Cb 0.34 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1y1u h THR 245 CO -0.77 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 175.51 1y1u h ILE 246 N -0.41 0.85 0.97 3.11 1.08 0.04 0.73 117.51 123.88 1y1u h ILE 246 Ca 0.07 -0.02 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 1y1u h ILE 246 Cb 0.50 0.80 0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1y1u h ILE 246 CO -0.24 0.01 -0.47 0.40 -0.69 0.00 0.00 178.15 177.16 1y1u h ILE 247 N 0.05 0.00 0.26 -0.67 1.08 0.11 -1.26 117.51 117.08 1y1u h ILE 247 Ca 0.09 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1y1u h ILE 247 Cb 0.12 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 1y1u h ILE 247 CO -0.16 0.00 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.10 1y1u h LEU 248 N -1.33 -0.29 0.00 1.44 4.07 0.41 -0.85 115.31 118.76 1y1u h LEU 248 Ca -0.13 -0.20 -0.17 0.00 0.08 0.00 0.00 57.88 57.45 1y1u h LEU 248 Cb 1.00 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1y1u h LEU 248 CO 0.22 0.07 -0.85 0.44 -1.08 0.00 0.00 178.44 177.24 1y1u h ASP 249 N -0.69 0.00 0.00 -0.43 3.32 0.39 -3.08 116.42 115.92 1y1u h ASP 249 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1y1u h ASP 249 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1y1u h ASP 249 CO 0.06 0.81 -0.41 0.47 -1.72 0.00 0.00 179.24 178.45 1y1u n ASP 250 N -3.29 1.01 -0.11 6.45 8.00 -0.53 -4.26 116.55 123.82 1y1u n ASP 250 Ca 0.00 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.75 1y1u n ASP 250 Cb 0.87 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1y1u n ASP 250 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1y1u h GLU 251 N -0.54 0.22 0.06 -1.24 4.39 -0.99 -0.48 114.58 116.00 1y1u h GLU 251 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1y1u h GLU 251 Cb 0.41 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1y1u h GLU 251 CO 0.00 0.15 -0.03 1.25 -1.16 0.00 0.00 179.01 179.22 1y1u h LEU 252 N 0.23 -0.07 -0.89 1.33 5.85 -1.13 -1.83 115.31 118.80 1y1u h LEU 252 Ca 0.18 -0.57 0.24 0.00 0.84 0.00 0.00 57.88 58.57 1y1u h LEU 252 Cb 0.19 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.10 1y1u h LEU 252 CO -0.22 0.63 0.27 0.40 -0.34 0.00 0.00 178.44 179.19 1y1u h ILE 253 N -0.87 0.32 0.16 4.05 1.08 -1.56 0.65 117.51 121.34 1y1u h ILE 253 Ca -0.01 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1y1u h ILE 253 Cb 0.64 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1y1u h ILE 253 CO 0.01 0.04 -0.08 -0.61 -0.69 0.00 0.00 178.15 176.83 1y1u h GLN 254 N 0.22 -0.20 -0.80 2.37 4.15 -1.08 0.16 115.11 119.93 1y1u h GLN 254 Ca 0.57 0.01 0.12 0.00 0.77 0.00 0.00 58.65 60.12 1y1u h GLN 254 Cb 1.16 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.83 1y1u h GLN 254 CO -0.65 0.13 0.53 2.35 -1.93 0.00 0.00 178.83 179.26 1y1u h TRP 255 N -0.56 0.73 0.55 3.99 7.01 -0.57 0.11 115.95 127.21 1y1u h TRP 255 Ca -0.02 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 1y1u h TRP 255 Cb 0.43 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1y1u h TRP 255 CO 0.03 0.31 -0.27 0.87 -2.79 0.00 0.00 178.44 176.60 1y1u h LYS 256 N 0.66 -0.72 -0.84 2.65 1.57 0.48 -2.09 116.57 118.28 1y1u h LYS 256 Ca 0.38 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1y1u h LYS 256 Cb 0.59 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1y1u h LYS 256 CO -0.15 -0.48 0.55 -0.09 -0.57 0.00 0.00 179.45 178.72 1y1u h ARG 257 N -0.74 1.09 -0.78 3.15 2.43 -0.39 0.10 114.38 119.24 1y1u h ARG 257 Ca -0.07 -0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.21 1y1u h ARG 257 Cb 0.57 -0.24 -0.13 0.00 -0.42 0.00 0.00 29.97 29.74 1y1u h ARG 257 CO 0.12 0.72 0.05 -0.09 -1.51 0.00 0.00 179.97 179.26 1y1u h ARG 258 N 1.12 0.12 0.05 0.20 9.65 -0.73 0.34 114.38 125.14 1y1u h ARG 258 Ca 0.32 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1y1u h ARG 258 Cb -0.09 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1y1u h ARG 258 CO -0.08 0.08 -0.02 0.37 2.80 0.00 0.00 179.97 183.12 1y1u h GLN 259 N 0.13 -0.07 -0.91 0.20 4.15 -0.39 -1.44 115.11 116.78 1y1u h GLN 259 Ca 0.44 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.94 1y1u h GLN 259 Cb 0.79 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.43 1y1u h GLN 259 CO -0.66 0.02 0.56 0.37 -1.93 0.00 0.00 178.83 177.19 1y1u h GLN 260 N -0.13 0.95 0.00 1.69 4.15 0.14 -0.07 115.11 121.84 1y1u h GLN 260 Ca -0.01 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.24 1y1u h GLN 260 Cb 0.12 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1y1u h GLN 260 CO 0.01 0.63 -0.57 -0.07 -1.93 0.00 0.00 178.83 176.90 1y1u h LEU 261 N 0.98 0.00 -2.06 -2.39 3.38 -0.41 -1.81 115.31 113.00 1y1u h LEU 261 Ca 0.42 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.49 1y1u h LEU 261 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1y1u h LEU 261 CO -0.21 0.57 0.30 0.00 0.09 0.00 0.00 178.44 179.19 1y1u h ALA 262 N 1.43 2.20 -0.44 1.53 0.00 0.12 0.31 119.26 124.41 1y1u h ALA 262 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1y1u h ALA 262 Cb 1.18 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1y1u h ALA 262 CO 0.07 -0.48 -0.13 0.78 0.00 0.00 0.00 179.25 179.50 1y1u h GLY 263 N 0.00 0.29 -2.52 0.00 0.00 -0.86 0.14 103.07 100.11 1y1u h GLY 263 Ca 0.17 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 1y1u h GLY 263 CO -0.00 -0.18 0.18 0.70 0.00 0.00 0.00 176.54 177.24 1y1u n ASN 264 N -5.34 3.15 -1.99 0.19 3.02 -0.65 -4.80 115.26 108.83 1y1u n ASN 264 Ca 0.03 -2.47 -0.15 0.00 -0.03 0.00 0.00 54.58 51.96 1y1u n ASN 264 Cb 0.25 -0.60 0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1y1u n ASN 264 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y1u n GLY 265 N 0.02 -0.15 3.69 7.41 0.00 0.48 -2.08 105.19 114.55 1y1u n GLY 265 Ca 0.17 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1y1u n GLY 265 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y1u s GLY 266 N -2.69 1.61 0.33 -0.02 0.00 0.10 -4.63 107.32 102.02 1y1u s GLY 266 Ca 0.15 -0.80 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1y1u s GLY 266 CO 0.19 -0.04 1.27 2.56 0.00 0.00 0.00 173.10 177.07 1y1u s PRO 267 N -5.37 4.37 0.22 2.90 0.04 -1.26 -4.27 135.00 131.63 1y1u s PRO 267 Ca 0.69 2.13 -0.31 0.00 0.04 0.00 0.00 61.00 63.55 1y1u s PRO 267 Cb -0.11 -3.05 -0.15 0.00 0.04 0.00 0.00 34.50 31.22 1y1u s PRO 267 CO 0.55 -0.15 1.12 -2.30 0.04 0.00 0.00 177.00 176.27 1y1u n PRO 268 N 0.79 1.30 -0.32 0.56 -0.02 -1.26 -4.47 135.00 131.57 1y1u n PRO 268 Ca 0.00 0.46 -0.04 0.00 -2.02 0.00 0.00 63.50 61.90 1y1u n PRO 268 Cb 0.43 -1.92 -0.01 0.00 -0.02 0.00 0.00 33.50 31.98 1y1u n PRO 268 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1y1u n GLU 269 N 1.40 -0.25 0.00 -0.52 4.71 -1.26 -4.94 120.64 119.78 1y1u n GLU 269 Ca 0.13 1.25 0.00 0.00 -0.01 0.00 0.00 57.16 58.52 1y1u n GLU 269 Cb 0.28 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 1y1u n GLU 269 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y1u n GLY 270 N -1.32 1.71 3.73 0.62 0.00 -1.26 -4.90 105.19 103.77 1y1u n GLY 270 Ca 0.06 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1y1u n GLY 270 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y1u s SER 271 N 0.00 6.77 0.66 1.61 0.15 -1.26 -4.90 113.70 116.73 1y1u s SER 271 Ca 0.00 2.46 0.44 0.00 0.70 0.00 0.00 55.95 59.55 1y1u s SER 271 Cb 0.00 -2.60 2.40 0.00 -1.71 0.00 0.00 66.02 64.11 1y1u s SER 271 CO 0.00 -0.66 2.37 -0.07 1.20 0.00 0.00 173.24 176.07 1y1u h LEU 272 N 6.16 0.00 -0.80 3.45 3.38 -2.01 -3.30 115.31 122.19 1y1u h LEU 272 Ca -0.43 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.72 1y1u h LEU 272 Cb 1.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1y1u h LEU 272 CO 0.84 0.00 0.24 0.44 0.09 0.00 0.00 178.44 180.05 1y1u h ASP 273 N 0.00 0.08 -0.75 -0.43 3.32 -2.00 0.22 116.42 116.87 1y1u h ASP 273 Ca -0.00 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1y1u h ASP 273 Cb 0.01 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1y1u h ASP 273 CO 0.00 -0.05 0.49 1.62 -1.72 0.00 0.00 179.24 179.59 1y1u h VAL 274 N 0.29 1.16 0.00 -1.35 3.04 -1.99 -2.14 116.25 115.26 1y1u h VAL 274 Ca 0.47 -0.33 -0.17 0.00 -1.01 0.00 0.00 66.70 65.66 1y1u h VAL 274 Cb 0.86 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1y1u h VAL 274 CO -0.54 0.18 -0.80 -0.07 -1.01 0.00 0.00 177.57 175.32 1y1u h LEU 275 N 0.98 0.00 0.26 3.16 4.07 -0.86 -3.12 115.31 119.79 1y1u h LEU 275 Ca 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1y1u h LEU 275 Cb -0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1y1u h LEU 275 CO -0.07 0.80 -0.13 -0.61 -1.08 0.00 0.00 178.44 177.36 1y1u h GLN 276 N 0.00 -0.34 -0.98 1.13 4.15 -0.63 0.16 115.11 118.61 1y1u h GLN 276 Ca -0.01 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1y1u h GLN 276 Cb 1.47 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 29.11 1y1u h GLN 276 CO 0.10 -0.06 -0.49 -1.13 -1.93 0.00 0.00 178.83 175.33 1y1u n SER 277 N -5.13 -0.85 -0.27 -0.69 3.41 -0.97 0.86 113.62 109.98 1y1u n SER 277 Ca -0.09 1.72 -0.10 0.00 -0.26 0.00 0.00 58.87 60.13 1y1u n SER 277 Cb 0.24 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 1y1u n SER 277 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1y1u h TRP 278 N 0.00 -1.61 -0.05 7.33 -0.00 -1.39 -0.72 115.95 119.50 1y1u h TRP 278 Ca 0.24 0.10 -0.13 0.00 -0.00 0.00 0.00 58.89 59.11 1y1u h TRP 278 Cb 0.49 0.80 -0.01 0.00 -0.00 0.00 0.00 29.16 30.43 1y1u h TRP 278 CO -0.94 -0.43 -0.54 0.00 -0.00 0.00 0.00 178.44 176.54 1y1u h GLU 280 N 0.12 0.53 -0.69 0.00 4.11 -0.20 0.33 114.58 118.78 1y1u h GLU 280 Ca 0.00 -0.79 0.15 0.00 0.07 0.00 0.00 59.36 58.79 1y1u h GLU 280 Cb 0.99 0.28 -0.11 0.00 0.50 0.00 0.00 28.75 30.41 1y1u h GLU 280 CO 0.08 1.36 0.12 -0.22 0.07 0.00 0.00 179.01 180.42 1y1u h LYS 281 N 0.09 0.22 0.41 1.06 1.63 -0.90 0.93 116.57 120.01 1y1u h LYS 281 Ca -0.20 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.57 1y1u h LYS 281 Cb 1.91 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.50 1y1u h LYS 281 CO 0.23 0.15 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.11 1y1u h LEU 282 N 0.23 -0.47 -0.92 5.20 3.38 -0.48 -2.20 115.31 120.05 1y1u h LEU 282 Ca 0.38 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.42 1y1u h LEU 282 Cb 0.63 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1y1u h LEU 282 CO -0.50 -0.25 0.55 0.00 0.09 0.00 0.00 178.44 178.32 1y1u h ALA 283 N -0.11 1.36 0.05 1.53 0.00 0.30 -0.17 119.26 122.21 1y1u h ALA 283 Ca -0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y1u h ALA 283 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1y1u h ALA 283 CO 0.09 0.15 -0.02 1.49 0.00 0.00 0.00 179.25 180.97 1y1u h GLU 284 N 0.89 -0.06 0.00 0.00 4.81 0.93 -0.76 114.58 120.40 1y1u h GLU 284 Ca 0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1y1u h GLU 284 Cb 0.45 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1y1u h GLU 284 CO -0.26 0.01 -0.11 0.97 -0.73 0.00 0.00 179.01 178.89 1y1u h ILE 285 N -0.11 0.19 0.11 2.32 -0.00 -1.01 -2.46 117.51 116.55 1y1u h ILE 285 Ca -0.01 -1.16 -0.15 0.00 -0.00 0.00 0.00 64.86 63.54 1y1u h ILE 285 Cb 0.10 2.00 0.02 0.00 -0.00 0.00 0.00 36.82 38.93 1y1u h ILE 285 CO 0.01 0.10 -0.66 -0.29 -0.00 0.00 0.00 178.15 177.32 1y1u h ILE 286 N 0.00 1.56 -0.26 2.19 -0.00 -1.01 -3.24 117.51 116.75 1y1u h ILE 286 Ca -0.00 -2.47 -0.04 0.00 -0.00 0.00 0.00 64.86 62.35 1y1u h ILE 286 Cb 0.99 3.19 -0.01 0.00 -0.00 0.00 0.00 36.82 40.99 1y1u h ILE 286 CO 0.01 0.69 -0.02 -0.25 -0.00 0.00 0.00 178.15 178.59 1y1u h TRP 287 N -0.46 0.41 0.00 2.19 2.91 -1.05 -1.75 115.95 118.21 1y1u h TRP 287 Ca -0.11 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.87 1y1u h TRP 287 Cb 1.51 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 30.03 1y1u h TRP 287 CO 0.21 0.43 0.00 1.04 -1.03 0.00 0.00 178.44 179.09 1y1u n GLN 288 N -4.31 0.00 -0.12 2.65 6.02 -0.94 -1.70 117.38 118.98 1y1u n GLN 288 Ca 0.01 0.54 0.23 0.00 -0.01 0.00 0.00 57.00 57.77 1y1u n GLN 288 Cb 0.23 -1.43 0.35 0.00 1.02 0.00 0.00 30.24 30.41 1y1u n GLN 288 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1y1u n ASN 289 N -2.00 0.00 0.13 1.08 5.03 -1.04 0.92 115.26 119.38 1y1u n ASN 289 Ca 0.00 0.70 -0.06 0.00 0.87 0.00 0.00 54.58 56.09 1y1u n ASN 289 Cb 0.00 -0.21 -0.03 0.00 -1.02 0.00 0.00 39.78 38.52 1y1u n ASN 289 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1y1u h ARG 290 N 0.00 -0.38 -0.01 3.52 1.12 -0.70 -2.56 114.38 115.37 1y1u h ARG 290 Ca 0.40 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.30 1y1u h ARG 290 Cb 2.73 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 32.78 1y1u h ARG 290 CO -0.00 -0.25 0.11 -0.56 -3.11 0.00 0.00 179.97 176.15 1y1u h GLN 291 N -0.87 0.00 0.10 0.20 3.07 0.14 -1.44 115.11 116.31 1y1u h GLN 291 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 1y1u h GLN 291 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1y1u h GLN 291 CO 0.07 0.00 -0.05 1.96 0.09 0.00 0.00 178.83 180.90 1y1u h GLN 292 N 0.00 -0.13 0.00 0.06 4.20 -0.80 -2.25 115.11 116.19 1y1u h GLN 292 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1y1u h GLN 292 Cb 0.23 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1y1u h GLN 292 CO -0.00 0.32 0.00 -0.84 -0.67 0.00 0.00 178.83 177.64 1y1u h ILE 293 N -0.65 0.00 0.00 2.54 -2.65 -0.97 -2.01 117.51 113.76 1y1u h ILE 293 Ca -0.01 -0.45 -0.09 0.00 1.03 0.00 0.00 64.86 65.33 1y1u h ILE 293 Cb 0.51 1.36 -0.01 0.00 -2.05 0.00 0.00 36.82 36.63 1y1u h ILE 293 CO 0.02 0.00 -0.44 -0.09 0.03 0.00 0.00 178.15 177.67 1y1u h ARG 294 N 0.00 0.00 0.05 0.16 2.43 -1.20 -0.37 114.38 115.45 1y1u h ARG 294 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1y1u h ARG 294 Cb 0.62 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1y1u h ARG 294 CO 0.00 0.44 -1.04 0.00 -1.51 0.00 0.00 179.97 177.86 1y1u h ARG 295 N 0.00 0.28 -0.18 0.20 3.08 -0.88 -2.69 114.38 114.19 1y1u h ARG 295 Ca -0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1y1u h ARG 295 Cb 1.17 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1y1u h ARG 295 CO 0.06 1.11 0.10 0.00 -1.07 0.00 0.00 179.97 180.16 1y1u h ALA 296 N 0.75 0.23 -0.01 0.04 0.00 -0.85 -1.12 119.26 118.29 1y1u h ALA 296 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1y1u h ALA 296 Cb 1.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1y1u h ALA 296 CO 0.17 -0.23 -0.01 0.93 0.00 0.00 0.00 179.25 180.11 1y1u h GLU 297 N 0.18 -0.01 -1.02 0.00 4.39 -1.15 -0.26 114.58 116.72 1y1u h GLU 297 Ca 0.06 0.00 0.40 0.00 0.34 0.00 0.00 59.36 60.17 1y1u h GLU 297 Cb 0.08 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.57 1y1u h GLU 297 CO -0.01 -0.00 0.58 1.58 -1.16 0.00 0.00 179.01 180.00 1y1u n HIS 298 N -2.87 0.97 0.07 4.33 -0.00 -1.02 0.29 115.22 116.99 1y1u n HIS 298 Ca -0.00 0.98 -0.10 0.00 0.46 0.00 0.00 57.72 59.06 1y1u n HIS 298 Cb 0.01 -1.39 -0.07 0.00 -0.12 0.00 0.00 29.99 28.42 1y1u n HIS 298 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1y1u h LEU 299 N 0.00 -0.22 -1.56 0.27 3.38 -0.33 -2.82 115.31 114.02 1y1u h LEU 299 Ca 0.79 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.44 1y1u h LEU 299 Cb 2.22 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 43.02 1y1u h LEU 299 CO -0.64 0.32 -0.23 0.00 0.09 0.00 0.00 178.44 177.98 1y1u n GLN 301 N -4.13 1.34 -0.00 0.00 10.64 0.14 -2.61 117.38 122.75 1y1u n GLN 301 Ca -0.02 -0.49 0.03 0.00 -1.83 0.00 0.00 57.00 54.69 1y1u n GLN 301 Cb 0.29 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 28.17 1y1u n GLN 301 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1y1u n GLN 302 N -0.38 1.40 -3.42 2.61 6.02 -0.15 -4.82 117.38 118.64 1y1u n GLN 302 Ca 0.20 -0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.88 1y1u n GLN 302 Cb 0.22 -1.08 -0.11 0.00 1.02 0.00 0.00 30.24 30.30 1y1u n GLN 302 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1u s LEU 303 N -3.18 0.84 0.73 1.08 2.96 -0.11 -5.07 118.68 115.92 1y1u s LEU 303 Ca -0.01 -2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 51.48 1y1u s LEU 303 Cb 0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.50 1y1u s LEU 303 CO 0.29 -0.27 0.58 -0.81 -1.32 0.00 0.00 176.35 174.82 1y1u n PRO 304 N 3.82 0.31 -2.83 0.98 -0.04 -1.07 -4.54 135.00 131.62 1y1u n PRO 304 Ca 0.16 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1y1u n PRO 304 Cb 0.41 -1.88 0.04 0.00 -0.04 0.00 0.00 33.50 32.03 1y1u n PRO 304 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1y1u n ILE 305 N -2.43 -0.09 -0.37 0.52 -6.64 -1.26 -5.09 119.36 103.99 1y1u n ILE 305 Ca 0.10 -2.05 -0.13 0.00 -1.77 0.00 0.00 62.75 58.90 1y1u n ILE 305 Cb 0.50 0.97 -0.04 0.00 -1.44 0.00 0.00 39.64 39.63 1y1u n ILE 305 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 1y1u n PRO 306 N 1.04 0.00 -2.60 6.28 -0.02 -1.26 -4.77 135.00 133.67 1y1u n PRO 306 Ca 0.11 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 1y1u n PRO 306 Cb 0.65 -0.40 0.01 0.00 -0.02 0.00 0.00 33.50 33.73 1y1u n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y1u n GLY 307 N 1.88 1.04 0.00 -1.23 0.00 -1.26 -5.00 105.19 100.62 1y1u n GLY 307 Ca 0.16 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 45.21 1y1u n GLY 307 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y1u n PRO 308 N -0.35 0.54 0.11 1.61 -0.04 -1.26 -3.86 135.00 131.75 1y1u n PRO 308 Ca -0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 1y1u n PRO 308 Cb 0.29 -1.46 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1y1u n PRO 308 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y1u h VAL 309 N 0.00 1.32 -0.78 0.52 2.07 -1.94 -2.97 116.25 114.47 1y1u h VAL 309 Ca 0.00 -2.64 0.10 0.00 0.82 0.00 0.00 66.70 64.99 1y1u h VAL 309 Cb 0.00 2.85 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1y1u h VAL 309 CO 0.00 0.79 0.41 -0.33 0.02 0.00 0.00 177.57 178.46 1y1u h GLU 310 N 0.20 0.65 0.00 1.57 5.08 -1.94 0.15 114.58 120.30 1y1u h GLU 310 Ca -0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1y1u h GLU 310 Cb 2.01 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1y1u h GLU 310 CO 0.25 0.43 0.00 -1.91 -1.00 0.00 0.00 179.01 176.78 1y1u n GLU 311 N -4.82 0.00 -0.34 2.33 4.07 -1.22 -1.07 120.64 119.58 1y1u n GLU 311 Ca 0.13 0.43 0.12 0.00 -0.06 0.00 0.00 57.16 57.78 1y1u n GLU 311 Cb 0.31 -1.41 0.24 0.00 -0.06 0.00 0.00 31.44 30.52 1y1u n GLU 311 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1y1u h MET 312 N 0.00 0.01 0.19 5.31 2.86 -1.37 0.98 114.93 122.91 1y1u h MET 312 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y1u h MET 312 Cb 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1y1u h MET 312 CO 0.00 0.00 -0.15 -0.07 1.06 0.00 0.00 176.91 177.75 1y1u h LEU 313 N 0.01 -0.39 -1.11 1.22 3.38 -1.01 0.39 115.31 117.80 1y1u h LEU 313 Ca 0.56 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.48 1y1u h LEU 313 Cb 1.06 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1y1u h LEU 313 CO -0.95 -0.23 -0.22 0.00 0.09 0.00 0.00 178.44 177.13 1y1u h ALA 314 N 0.44 1.25 -0.13 1.53 0.00 0.22 0.38 119.26 122.96 1y1u h ALA 314 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1y1u h ALA 314 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1y1u h ALA 314 CO -0.01 0.49 -0.21 1.49 0.00 0.00 0.00 179.25 181.01 1y1u h GLU 315 N 0.33 0.37 -0.49 0.00 4.22 0.68 0.14 114.58 119.83 1y1u h GLU 315 Ca 0.05 -0.23 -0.07 0.00 0.08 0.00 0.00 59.36 59.19 1y1u h GLU 315 Cb 0.57 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1y1u h GLU 315 CO 0.04 0.81 0.01 0.28 -2.18 0.00 0.00 179.01 177.97 1y1u h VAL 316 N -0.04 1.24 0.00 0.32 2.07 0.08 -0.96 116.25 118.97 1y1u h VAL 316 Ca 0.01 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 1y1u h VAL 316 Cb 0.78 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1y1u h VAL 316 CO 0.05 0.36 -0.51 -1.13 0.02 0.00 0.00 177.57 176.36 1y1u h ASN 317 N 0.76 0.00 -0.46 0.57 -0.00 -0.26 -2.73 115.58 113.46 1y1u h ASN 317 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 56.37 1y1u h ASN 317 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.76 1y1u h ASN 317 CO 0.02 0.51 -0.03 0.00 -0.00 0.00 0.00 177.43 177.93 1y1u h ALA 318 N 1.49 0.62 0.04 1.57 0.00 0.55 -3.16 119.26 120.37 1y1u h ALA 318 Ca -0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 1y1u h ALA 318 Cb 1.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1y1u h ALA 318 CO 0.07 0.45 -1.01 1.79 0.00 0.00 0.00 179.25 180.55 1y1u h THR 319 N 0.68 1.47 0.00 0.00 1.35 -1.23 -3.19 112.91 111.99 1y1u h THR 319 Ca 0.13 -2.71 -0.02 0.00 -0.55 0.00 0.00 66.41 63.26 1y1u h THR 319 Cb 0.54 2.59 -0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1y1u h THR 319 CO 0.03 0.79 -0.12 -0.29 -0.25 0.00 0.00 175.52 175.69 1y1u h ILE 320 N 0.14 0.53 0.05 6.82 2.10 -1.52 -0.03 117.51 125.60 1y1u h ILE 320 Ca -0.08 -0.54 -0.27 0.00 1.08 0.00 0.00 64.86 65.04 1y1u h ILE 320 Cb 1.67 1.36 0.02 0.00 -1.09 0.00 0.00 36.82 38.78 1y1u h ILE 320 CO 0.16 0.11 -1.11 0.71 -1.08 0.00 0.00 178.15 176.95 1y1u h THR 321 N 0.00 1.31 -0.75 2.19 1.35 -1.57 -2.89 112.91 112.55 1y1u h THR 321 Ca -0.00 -2.38 0.03 0.00 -0.55 0.00 0.00 66.41 63.51 1y1u h THR 321 Cb 0.35 2.52 -0.04 0.00 -1.73 0.00 0.00 68.15 69.24 1y1u h THR 321 CO 0.02 0.73 0.48 0.44 -0.25 0.00 0.00 175.52 176.93 1y1u h ASP 322 N 0.32 0.79 0.59 5.36 3.32 -1.33 -2.37 116.42 123.11 1y1u h ASP 322 Ca -0.14 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1y1u h ASP 322 Cb 1.77 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 1y1u h ASP 322 CO 0.21 0.55 -0.25 0.16 -1.72 0.00 0.00 179.24 178.19 1y1u h ILE 323 N 0.94 0.76 0.01 0.35 -0.00 -1.07 -2.66 117.51 115.83 1y1u h ILE 323 Ca 0.30 -1.02 -0.06 0.00 -0.00 0.00 0.00 64.86 64.07 1y1u h ILE 323 Cb -0.00 1.63 0.01 0.00 -0.00 0.00 0.00 36.82 38.45 1y1u h ILE 323 CO -0.10 0.24 -0.26 0.40 -0.00 0.00 0.00 178.15 178.43 1y1u h ILE 324 N 0.00 1.56 -0.53 0.16 2.04 -1.21 -2.24 117.51 117.29 1y1u h ILE 324 Ca -0.00 -2.00 0.03 0.00 1.00 0.00 0.00 64.86 63.89 1y1u h ILE 324 Cb 0.61 2.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.48 1y1u h ILE 324 CO 0.03 0.55 0.31 0.28 0.00 0.00 0.00 178.15 179.31 1y1u h SER 325 N -0.53 0.49 0.00 1.72 0.02 -1.43 1.04 113.55 114.86 1y1u h SER 325 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1y1u h SER 325 Cb 1.03 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1y1u h SER 325 CO 0.05 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 176.08 1y1u n ALA 326 N -2.29 0.00 0.12 3.77 0.00 -1.01 -1.07 120.51 120.03 1y1u n ALA 326 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1y1u n ALA 326 Cb 0.09 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1y1u n ALA 326 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y1u h LEU 327 N 0.00 -1.29 0.15 0.00 6.46 0.15 -0.18 115.31 120.60 1y1u h LEU 327 Ca 0.00 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1y1u h LEU 327 Cb 0.00 0.47 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1y1u h LEU 327 CO 0.00 -0.47 -0.53 0.58 -0.62 0.00 0.00 178.44 177.40 1y1u h VAL 328 N -0.65 0.00 0.08 1.05 2.07 0.88 -2.16 116.25 117.52 1y1u h VAL 328 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1y1u h VAL 328 Cb 0.64 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1y1u h VAL 328 CO -0.21 0.00 -0.12 0.74 0.02 0.00 0.00 177.57 178.00 1y1u h THR 329 N -0.77 0.72 0.00 2.57 2.02 -0.87 -2.20 112.91 114.39 1y1u h THR 329 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1y1u h THR 329 Cb 0.77 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1y1u h THR 329 CO -0.27 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.08 1y1u n SER 330 N -5.24 0.00 -0.76 4.18 3.41 -0.10 -1.76 113.62 113.35 1y1u n SER 330 Ca -0.07 -0.70 0.08 0.00 -0.26 0.00 0.00 58.87 57.92 1y1u n SER 330 Cb 0.16 -0.04 0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1y1u n SER 330 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1y1u n THR 331 N -1.04 0.35 -2.89 6.66 -2.24 -0.82 -4.76 114.28 109.53 1y1u n THR 331 Ca 0.18 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1y1u n THR 331 Cb 0.10 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1y1u n THR 331 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1y1u s PHE 332 N -1.24 2.91 0.15 4.78 5.36 -0.73 -1.81 117.98 127.40 1y1u s PHE 332 Ca 0.24 -1.01 0.08 0.00 -0.96 0.00 0.00 56.93 55.28 1y1u s PHE 332 Cb 0.15 -4.30 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 1y1u s PHE 332 CO 0.22 -1.57 -0.19 0.96 -1.46 0.00 0.00 175.22 173.18 1y1u s ILE 333 N 3.36 1.78 -0.37 3.12 -4.36 0.19 -4.68 121.20 120.23 1y1u s ILE 333 Ca 0.28 -1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 1y1u s ILE 333 Cb -0.10 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.85 1y1u s ILE 333 CO -0.01 -0.27 1.23 -0.63 0.24 0.00 0.00 174.94 175.49 1y1u s ILE 334 N -1.89 4.20 -0.00 8.37 1.01 -1.26 -0.15 121.20 131.48 1y1u s ILE 334 Ca 0.14 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 62.09 1y1u s ILE 334 Cb -0.06 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1y1u s ILE 334 CO 0.06 -0.66 0.43 -0.08 0.00 0.00 0.00 174.94 174.69 1y1u h GLU 335 N 9.23 -0.05 -5.28 2.79 4.81 -0.31 -3.43 114.58 122.34 1y1u h GLU 335 Ca -0.24 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.36 1y1u h GLU 335 Cb 1.08 0.01 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 1y1u h GLU 335 CO 1.07 -0.04 -0.07 0.21 -0.73 0.00 0.00 179.01 179.45 1y1u s LYS 336 N -1.97 3.90 0.25 1.92 2.20 -0.87 -4.94 119.74 120.24 1y1u s LYS 336 Ca -0.01 0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.43 1y1u s LYS 336 Cb 0.00 -3.71 -0.09 0.00 -1.51 0.00 0.00 37.83 32.52 1y1u s LYS 336 CO 0.02 -0.44 0.90 -1.14 -0.36 0.00 0.00 175.35 174.33 1y1u s GLN 337 N 2.30 4.67 0.43 4.03 2.00 -1.26 -1.34 119.66 130.49 1y1u s GLN 337 Ca 0.19 1.33 -0.26 0.00 -2.00 0.00 0.00 55.36 54.62 1y1u s GLN 337 Cb -0.16 -3.08 -0.09 0.00 0.80 0.00 0.00 33.01 30.49 1y1u s GLN 337 CO 0.11 0.44 1.41 -1.25 -0.50 0.00 0.00 175.29 175.50 1y1u s PRO 338 N -1.54 3.80 -0.37 1.67 0.04 -1.26 -4.83 135.00 132.51 1y1u s PRO 338 Ca 0.43 2.39 -0.39 0.00 0.04 0.00 0.00 61.00 63.48 1y1u s PRO 338 Cb -0.22 -2.72 -0.17 0.00 0.04 0.00 0.00 34.50 31.43 1y1u s PRO 338 CO 0.27 -0.72 1.30 -2.30 0.04 0.00 0.00 177.00 175.60 1y1u n PRO 339 N -0.04 0.00 0.24 0.56 -0.02 -1.26 -4.85 135.00 129.64 1y1u n PRO 339 Ca 0.04 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.64 1y1u n PRO 339 Cb 0.42 -1.27 0.61 0.00 -0.02 0.00 0.00 33.50 33.23 1y1u n PRO 339 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1y1u h GLN 340 N 4.03 0.00 -3.20 -0.52 5.75 -1.90 -3.36 115.11 115.91 1y1u h GLN 340 Ca -0.38 0.00 -0.58 0.00 -0.15 0.00 0.00 58.65 57.54 1y1u h GLN 340 Cb 1.17 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.32 1y1u h GLN 340 CO 0.80 0.17 -0.77 0.54 -2.65 0.00 0.00 178.83 176.92 1y1u s VAL 341 N -3.90 0.73 0.04 2.39 0.11 -1.26 0.99 120.40 119.49 1y1u s VAL 341 Ca -0.01 -1.55 0.07 0.00 -2.93 0.00 0.00 61.98 57.55 1y1u s VAL 341 Cb 0.12 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1y1u s VAL 341 CO 0.60 -0.77 -0.16 -1.48 -3.33 0.00 0.00 175.10 169.97 1y1u s LEU 342 N 1.39 2.72 -0.05 2.54 0.05 -0.80 -4.93 118.68 119.60 1y1u s LEU 342 Ca 0.12 -0.39 -0.04 0.00 0.05 0.00 0.00 54.13 53.87 1y1u s LEU 342 Cb -0.19 -1.58 -0.04 0.00 -2.05 0.00 0.00 46.19 42.33 1y1u s LEU 342 CO -0.19 0.25 0.16 -1.59 -0.55 0.00 0.00 176.35 174.43 1y1u s LYS 343 N -1.52 3.42 0.11 1.48 -2.85 -1.26 -1.76 119.74 117.35 1y1u s LYS 343 Ca 0.16 -0.26 -0.26 0.00 -1.00 0.00 0.00 55.97 54.61 1y1u s LYS 343 Cb -0.11 -3.12 -0.15 0.00 -2.06 0.00 0.00 37.83 32.40 1y1u s LYS 343 CO 0.06 0.71 0.57 -2.37 0.10 0.00 0.00 175.35 174.43 1y1u n THR 344 N 1.34 1.08 -3.55 3.79 5.66 -1.22 -2.96 114.28 118.43 1y1u n THR 344 Ca -0.14 -0.27 -0.19 0.00 -3.05 0.00 0.00 64.05 60.40 1y1u n THR 344 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1y1u n THR 344 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y1u n GLN 345 N 0.94 -1.54 -3.74 1.09 3.00 0.05 -4.89 117.38 112.30 1y1u n GLN 345 Ca 0.15 1.04 -0.15 0.00 -0.01 0.00 0.00 57.00 58.04 1y1u n GLN 345 Cb 0.16 -3.29 -0.15 0.00 0.00 0.00 0.00 30.24 26.95 1y1u n GLN 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1y1u s THR 346 N -2.87 -0.09 -0.16 5.09 2.01 -1.15 -4.91 115.64 113.55 1y1u s THR 346 Ca 0.04 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 1y1u s THR 346 Cb -0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1y1u s THR 346 CO 0.85 0.10 1.83 -0.75 -0.69 0.00 0.00 174.62 175.96 1y1u s LYS 347 N 1.39 3.73 0.28 4.92 2.20 -1.26 -4.47 119.74 126.54 1y1u s LYS 347 Ca -0.06 1.96 0.02 0.00 -0.36 0.00 0.00 55.97 57.53 1y1u s LYS 347 Cb -0.12 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 1y1u s LYS 347 CO -0.05 -1.39 0.09 -0.59 -0.36 0.00 0.00 175.35 173.05 1y1u s PHE 348 N 5.69 1.66 0.15 4.03 -0.12 -1.15 -4.93 117.98 123.32 1y1u s PHE 348 Ca 0.82 -1.13 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 1y1u s PHE 348 Cb -0.31 -1.01 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 1y1u s PHE 348 CO 0.33 -0.25 -0.01 0.00 -0.05 0.00 0.00 175.22 175.24 1y1u s ALA 349 N -3.61 1.21 0.05 1.99 0.00 -1.26 -0.80 121.76 119.34 1y1u s ALA 349 Ca 0.37 -1.52 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 1y1u s ALA 349 Cb 0.08 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1y1u s ALA 349 CO 0.14 -0.32 0.27 0.00 0.00 0.00 0.00 175.76 175.85 1y1u s ALA 350 N -3.70 -0.57 -0.10 0.00 0.00 -0.87 -4.03 121.76 112.50 1y1u s ALA 350 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1y1u s ALA 350 Cb 0.06 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1y1u s ALA 350 CO 0.02 -0.43 -0.07 0.99 0.00 0.00 0.00 175.76 176.26 1y1u s THR 351 N -2.83 0.97 -0.05 0.00 2.01 -0.45 0.96 115.64 116.25 1y1u s THR 351 Ca -0.03 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.76 1y1u s THR 351 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1y1u s THR 351 CO -0.05 0.35 -0.22 0.54 -0.69 0.00 0.00 174.62 174.55 1y1u s VAL 352 N 1.60 2.37 0.24 3.82 0.11 0.33 0.48 120.40 129.35 1y1u s VAL 352 Ca 0.02 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1y1u s VAL 352 Cb -0.13 -1.88 -0.05 0.00 -1.53 0.00 0.00 36.38 32.79 1y1u s VAL 352 CO -0.07 0.58 0.01 0.00 -3.33 0.00 0.00 175.10 172.29 1y1u s ARG 353 N -0.44 1.38 -0.16 1.54 1.70 0.79 -0.66 118.95 123.11 1y1u s ARG 353 Ca 0.05 -1.71 0.00 0.00 -0.47 0.00 0.00 55.73 53.60 1y1u s ARG 353 Cb -0.12 -0.65 0.03 0.00 -0.57 0.00 0.00 34.95 33.64 1y1u s ARG 353 CO 0.01 -0.11 -0.11 -1.17 -1.08 0.00 0.00 175.30 172.84 1y1u s LEU 354 N -3.33 1.72 0.19 -1.89 2.96 -1.09 -0.64 118.68 116.60 1y1u s LEU 354 Ca 0.30 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1y1u s LEU 354 Cb 0.06 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.73 1y1u s LEU 354 CO 0.10 -0.10 1.44 -0.07 -1.32 0.00 0.00 176.35 176.40 1y1u h LEU 355 N 8.06 0.24 -0.06 -0.68 3.38 -1.69 -3.02 115.31 121.54 1y1u h LEU 355 Ca -0.33 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1y1u h LEU 355 Cb 1.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1y1u h LEU 355 CO 0.48 0.93 0.00 -0.37 0.09 0.00 0.00 178.44 179.57 1y1u h VAL 356 N 0.12 0.00 -1.27 1.22 -1.51 -1.87 -3.35 116.25 109.59 1y1u h VAL 356 Ca -0.03 -0.87 0.40 0.00 -1.23 0.00 0.00 66.70 64.96 1y1u h VAL 356 Cb 1.37 1.87 -0.11 0.00 -2.13 0.00 0.00 31.29 32.29 1y1u h VAL 356 CO 0.12 0.00 0.83 1.23 -1.23 0.00 0.00 177.57 178.52 1y1u h GLY 357 N 4.02 1.15 0.03 5.19 0.00 -1.72 -1.40 103.07 110.34 1y1u h GLY 357 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1y1u h GLY 357 CO 0.00 -0.30 -0.03 -1.33 0.00 0.00 0.00 176.54 174.89 1y1u h GLY 358 N 0.15 -0.63 0.00 4.60 0.00 -1.70 -3.21 103.07 102.28 1y1u h GLY 358 Ca 0.76 0.27 0.00 0.00 0.00 0.00 0.00 47.33 48.36 1y1u h GLY 358 CO -0.35 -0.24 0.00 0.28 0.00 0.00 0.00 176.54 176.24 1y1u n LYS 359 N -2.39 0.00 -1.57 4.80 4.01 -0.53 -4.67 118.16 117.81 1y1u n LYS 359 Ca -0.01 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.29 1y1u n LYS 359 Cb 0.03 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.50 1y1u n LYS 359 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 1y1u n LEU 360 N 0.00 1.33 -4.39 -0.35 -0.00 -1.21 -4.61 117.00 107.77 1y1u n LEU 360 Ca 0.00 1.14 -0.45 0.00 -0.00 0.00 0.00 56.01 56.69 1y1u n LEU 360 Cb 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 43.42 42.22 1y1u n LEU 360 CO 0.00 -1.34 0.65 0.54 -0.00 0.00 0.00 177.39 177.24 1y1u s ASN 361 N 0.11 6.56 -0.14 1.45 4.22 -1.26 -4.33 114.94 121.55 1y1u s ASN 361 Ca 0.78 -2.11 0.05 0.00 -2.14 0.00 0.00 52.86 49.44 1y1u s ASN 361 Cb -0.92 -2.31 -0.12 0.00 1.28 0.00 0.00 41.25 39.18 1y1u s ASN 361 CO 0.51 -0.91 -0.06 0.52 -2.04 0.00 0.00 177.10 175.11 1y1u n VAL 362 N 4.99 0.87 -0.62 3.54 0.31 -1.21 -4.33 118.33 121.88 1y1u n VAL 362 Ca 0.12 -0.41 0.47 0.00 -0.01 0.00 0.00 64.34 64.51 1y1u n VAL 362 Cb 0.47 -0.90 0.73 0.00 -0.91 0.00 0.00 33.84 33.23 1y1u n VAL 362 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y1u n HIS 363 N -2.75 0.00 -0.35 3.52 1.44 -1.25 -2.41 115.22 113.42 1y1u n HIS 363 Ca -0.24 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.52 1y1u n HIS 363 Cb 0.84 -0.44 0.21 0.00 0.12 0.00 0.00 29.99 30.71 1y1u n HIS 363 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1y1u h MET 364 N 0.00 0.97 -2.50 -1.40 2.07 -1.92 -3.20 114.93 108.95 1y1u h MET 364 Ca 0.83 -0.06 -0.43 0.00 -2.07 0.00 0.00 59.70 57.98 1y1u h MET 364 Cb 3.45 -0.22 -0.37 0.00 -1.87 0.00 0.00 31.60 32.59 1y1u h MET 364 CO -0.01 0.64 -0.71 0.54 1.07 0.00 0.00 176.91 178.45 1y1u s ASN 365 N -5.72 2.58 -0.04 1.22 2.20 -1.01 -5.14 114.94 109.03 1y1u s ASN 365 Ca -0.12 -0.99 -0.38 0.00 -0.94 0.00 0.00 52.86 50.43 1y1u s ASN 365 Cb 0.21 0.07 -0.16 0.00 -2.00 0.00 0.00 41.25 39.37 1y1u s ASN 365 CO 0.80 -0.41 1.51 -0.81 -2.94 0.00 0.00 177.10 175.26 1y1u n PRO 366 N 5.28 1.24 -1.82 3.55 -0.04 -1.21 -4.95 135.00 137.04 1y1u n PRO 366 Ca -0.04 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.57 1y1u n PRO 366 Cb 0.44 -2.12 0.04 0.00 -0.04 0.00 0.00 33.50 31.82 1y1u n PRO 366 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1y1u s PRO 367 N 1.69 2.96 -0.05 0.54 0.04 -1.26 -4.68 135.00 134.24 1y1u s PRO 367 Ca 0.89 0.59 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 1y1u s PRO 367 Cb -0.97 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 1y1u s PRO 367 CO 0.53 -0.99 0.57 -1.14 0.04 0.00 0.00 177.00 176.01 1y1u s GLN 368 N -5.27 4.33 -0.19 4.56 0.74 -1.26 -1.15 119.66 121.41 1y1u s GLN 368 Ca 0.58 0.66 -0.09 0.00 0.05 0.00 0.00 55.36 56.56 1y1u s GLN 368 Cb -0.12 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1y1u s GLN 368 CO 0.53 0.27 0.12 0.08 -0.55 0.00 0.00 175.29 175.74 1y1u s VAL 369 N 0.18 5.36 -0.21 1.34 1.01 -0.31 -4.24 120.40 123.53 1y1u s VAL 369 Ca 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 1y1u s VAL 369 Cb -0.17 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1y1u s VAL 369 CO 0.15 0.46 -0.07 -0.75 0.00 0.00 0.00 175.10 174.89 1y1u s LYS 370 N 0.19 3.31 0.23 2.72 2.20 0.14 -2.39 119.74 126.13 1y1u s LYS 370 Ca 0.08 -0.66 -0.22 0.00 -0.36 0.00 0.00 55.97 54.81 1y1u s LYS 370 Cb -0.11 -2.93 -0.09 0.00 -1.51 0.00 0.00 37.83 33.19 1y1u s LYS 370 CO -0.01 -0.20 0.78 0.00 -0.36 0.00 0.00 175.35 175.56 1y1u s ALA 371 N 1.45 3.38 -0.29 3.13 0.00 -1.26 -1.89 121.76 126.27 1y1u s ALA 371 Ca 0.06 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 1y1u s ALA 371 Cb -0.14 -2.93 0.11 0.00 0.00 0.00 0.00 23.12 20.17 1y1u s ALA 371 CO -0.05 0.29 0.66 -0.08 0.00 0.00 0.00 175.76 176.58 1y1u s THR 372 N -1.46 -0.70 0.05 0.00 -1.32 -0.51 -4.90 115.64 106.79 1y1u s THR 372 Ca 0.43 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.64 1y1u s THR 372 Cb -0.18 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.76 1y1u s THR 372 CO 0.23 0.00 0.85 -0.51 -2.21 0.00 0.00 174.62 172.97 1y1u s ILE 373 N 2.52 4.72 0.03 5.08 2.07 -1.26 -0.44 121.20 133.92 1y1u s ILE 373 Ca -0.07 1.80 0.02 0.00 -1.41 0.00 0.00 60.65 60.99 1y1u s ILE 373 Cb -0.10 -4.20 -0.02 0.00 0.13 0.00 0.00 42.46 38.27 1y1u s ILE 373 CO -0.19 0.31 -0.08 -0.51 -1.91 0.00 0.00 174.94 172.56 1y1u s ILE 374 N 0.20 0.54 0.80 2.00 1.10 -0.21 -4.08 121.20 121.57 1y1u s ILE 374 Ca 0.43 -0.86 -0.12 0.00 -0.51 0.00 0.00 60.65 59.59 1y1u s ILE 374 Cb -0.21 -0.57 0.07 0.00 0.15 0.00 0.00 42.46 41.90 1y1u s ILE 374 CO 0.25 -0.23 1.11 -0.94 -2.11 0.00 0.00 174.94 173.02 1y1u s SER 375 N -1.19 4.48 0.10 4.50 1.04 -1.21 -0.10 113.70 121.32 1y1u s SER 375 Ca -0.06 1.18 -0.22 0.00 0.48 0.00 0.00 55.95 57.32 1y1u s SER 375 Cb -0.08 -1.88 -0.12 0.00 0.10 0.00 0.00 66.02 64.04 1y1u s SER 375 CO 0.00 -1.96 1.74 -0.08 0.98 0.00 0.00 173.24 173.92 1y1u h GLU 376 N -1.08 0.02 -0.84 4.02 4.81 -1.77 -1.56 114.58 118.18 1y1u h GLU 376 Ca -0.47 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 58.95 1y1u h GLU 376 Cb 1.28 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 1y1u h GLU 376 CO 0.61 0.01 0.32 0.37 -0.73 0.00 0.00 179.01 179.60 1y1u h GLN 377 N 0.02 0.37 0.01 1.92 -0.00 -1.93 -1.54 115.11 113.96 1y1u h GLN 377 Ca 0.02 -0.02 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 1y1u h GLN 377 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 1y1u h GLN 377 CO -0.04 0.24 -0.91 1.96 0.00 0.00 0.00 178.83 180.09 1y1u h GLN 378 N 0.38 0.22 -0.29 1.69 4.20 -1.86 -3.00 115.11 116.45 1y1u h GLN 378 Ca 0.50 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1y1u h GLN 378 Cb 0.90 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1y1u h GLN 378 CO -0.51 0.98 0.05 0.00 -0.67 0.00 0.00 178.83 178.69 1y1u h ALA 379 N 0.93 1.56 -0.37 3.87 0.00 -0.28 0.31 119.26 125.28 1y1u h ALA 379 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1y1u h ALA 379 Cb 1.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1y1u h ALA 379 CO 0.14 0.33 0.20 0.87 0.00 0.00 0.00 179.25 180.79 1y1u h LYS 380 N 0.41 0.52 -0.22 0.00 1.57 -1.31 -2.38 116.57 115.16 1y1u h LYS 380 Ca 0.10 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1y1u h LYS 380 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1y1u h LYS 380 CO -0.00 0.44 -0.42 0.66 -0.57 0.00 0.00 179.45 179.56 1y1u h SER 381 N 0.47 0.55 -0.74 0.86 4.64 -1.11 -2.99 113.55 115.23 1y1u h SER 381 Ca 0.13 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1y1u h SER 381 Cb 0.08 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1y1u h SER 381 CO -0.02 0.91 0.35 0.25 -0.87 0.00 0.00 176.83 177.45 1y1u h LEU 382 N 0.43 1.00 0.30 5.97 7.12 -0.34 -2.79 115.31 126.99 1y1u h LEU 382 Ca 0.03 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1y1u h LEU 382 Cb 0.92 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1y1u h LEU 382 CO 0.08 0.85 -0.14 -0.07 -0.13 0.00 0.00 178.44 179.03 1y1u h LEU 383 N 1.08 -0.34 -7.75 2.25 3.38 -1.28 -3.30 115.31 109.35 1y1u h LEU 383 Ca 0.26 0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.76 1y1u h LEU 383 Cb 0.14 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1y1u h LEU 383 CO -0.03 -0.13 1.61 2.29 0.09 0.00 0.00 178.44 182.26 1y1u n LYS 384 N -3.67 2.15 -0.76 1.13 2.85 -1.19 -4.79 118.16 113.88 1y1u n LYS 384 Ca -0.05 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.52 1y1u n LYS 384 Cb 0.16 -3.58 0.00 0.00 -0.65 0.00 0.00 35.03 30.95 1y1u n LYS 384 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1y1u n ASN 385 N 11.66 -1.16 -3.42 -5.58 2.04 -1.24 -4.74 115.26 112.82 1y1u n ASN 385 Ca 0.47 -0.74 -0.26 0.00 -0.44 0.00 0.00 54.58 53.61 1y1u n ASN 385 Cb 0.46 -0.24 -0.09 0.00 -2.53 0.00 0.00 39.78 37.38 1y1u n ASN 385 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1y1u n GLU 386 N 3.06 1.12 -1.14 -3.83 0.00 -1.05 -5.08 120.64 113.72 1y1u n GLU 386 Ca 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 57.16 53.36 1y1u n GLU 386 Cb 0.29 -1.75 0.04 0.00 0.00 0.00 0.00 31.44 30.02 1y1u n GLU 386 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1y1u n ASN 387 N 1.82 0.37 -3.43 -1.84 3.02 -1.26 -4.75 115.26 109.20 1y1u n ASN 387 Ca 0.25 -1.33 -0.26 0.00 -0.03 0.00 0.00 54.58 53.21 1y1u n ASN 387 Cb 0.46 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.32 1y1u n ASN 387 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1y1u n THR 388 N -1.97 0.87 -0.86 3.41 -2.24 -1.26 -5.06 114.28 107.16 1y1u n THR 388 Ca 0.05 -4.57 -0.02 0.00 -2.27 0.00 0.00 64.05 57.25 1y1u n THR 388 Cb 0.19 -2.02 -0.02 0.00 -2.10 0.00 0.00 70.33 66.39 1y1u n THR 388 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1y1u n ARG 389 N 1.45 0.00 0.02 -0.78 0.00 -1.26 -3.01 116.66 113.08 1y1u n ARG 389 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1y1u n ARG 389 Cb 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 32.46 32.08 1y1u n ARG 389 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1y1u n ASN 390 N 3.79 -0.33 -4.74 6.15 2.85 -1.26 -5.16 115.26 116.56 1y1u n ASN 390 Ca 0.05 0.25 -0.32 0.00 -0.11 0.00 0.00 54.58 54.44 1y1u n ASN 390 Cb 0.39 0.53 0.09 0.00 1.24 0.00 0.00 39.78 42.04 1y1u n ASN 390 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1y1u s GLU 391 N -2.00 2.13 -0.41 1.20 4.04 -1.16 -5.02 118.70 117.47 1y1u s GLU 391 Ca 0.00 1.45 0.03 0.00 0.04 0.00 0.00 54.97 56.49 1y1u s GLU 391 Cb 0.00 -1.86 0.28 0.00 0.02 0.00 0.00 34.13 32.57 1y1u s GLU 391 CO 0.00 -1.78 1.14 0.00 -1.84 0.00 0.00 175.26 172.78 1y1u n SER 393 N 1.09 -1.44 0.00 0.00 7.64 -1.26 0.00 113.62 119.66 1y1u n SER 393 Ca 0.03 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1y1u n SER 393 Cb 0.69 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1y1u n SER 393 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y1u n GLY 394 N 3.79 0.09 0.57 0.23 0.00 -1.26 -3.35 105.19 105.27 1y1u n GLY 394 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1y1u n GLY 394 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y1u n GLU 395 N 0.00 -1.17 -0.79 1.61 -0.58 0.10 -4.39 120.64 115.42 1y1u n GLU 395 Ca 0.00 0.81 -0.32 0.00 -0.42 0.00 0.00 57.16 57.23 1y1u n GLU 395 Cb 0.00 -1.42 0.13 0.00 -0.57 0.00 0.00 31.44 29.59 1y1u n GLU 395 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1y1u n ILE 396 N -2.63 0.15 -3.70 -3.67 -5.35 -1.26 -4.50 119.36 98.40 1y1u n ILE 396 Ca -0.00 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1y1u n ILE 396 Cb 0.26 -0.77 -0.12 0.00 -1.74 0.00 0.00 39.64 37.28 1y1u n ILE 396 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1y1u s LEU 397 N -2.97 0.07 -0.47 7.28 0.05 -1.26 -3.39 118.68 117.99 1y1u s LEU 397 Ca 0.61 0.74 -0.03 0.00 0.05 0.00 0.00 54.13 55.50 1y1u s LEU 397 Cb -0.23 1.09 -0.04 0.00 -2.05 0.00 0.00 46.19 44.96 1y1u s LEU 397 CO 0.63 -0.19 1.69 0.59 -0.55 0.00 0.00 176.35 178.53 1y1u n ASN 398 N 4.34 2.91 -3.65 1.48 3.02 -0.97 -4.70 115.26 117.68 1y1u n ASN 398 Ca -0.23 -2.14 -0.02 0.00 -0.03 0.00 0.00 54.58 52.16 1y1u n ASN 398 Cb 0.54 -0.81 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 1y1u n ASN 398 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1y1u s ASN 399 N 3.74 -0.04 -0.32 6.41 3.04 -1.26 -4.47 114.94 122.04 1y1u s ASN 399 Ca 0.25 0.07 -0.07 0.00 0.04 0.00 0.00 52.86 53.15 1y1u s ASN 399 Cb 0.07 0.12 0.19 0.00 -1.54 0.00 0.00 41.25 40.09 1y1u s ASN 399 CO -0.02 -0.01 0.96 0.00 -3.04 0.00 0.00 177.10 174.99 1y1u s VAL 402 N -2.66 4.86 0.80 0.00 1.01 -1.26 -1.16 120.40 121.99 1y1u s VAL 402 Ca 0.37 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 1y1u s VAL 402 Cb 0.01 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1y1u s VAL 402 CO 0.21 0.55 1.11 -0.04 0.00 0.00 0.00 175.10 176.93 1y1u s MET 403 N -1.02 1.97 -0.18 2.72 1.00 -0.30 -4.78 119.30 118.70 1y1u s MET 403 Ca 0.27 1.28 -0.05 0.00 0.00 0.00 0.00 55.69 57.19 1y1u s MET 403 Cb -0.18 -1.86 0.09 0.00 0.00 0.00 0.00 34.83 32.88 1y1u s MET 403 CO 0.17 -1.88 0.35 -1.83 0.00 0.00 0.00 175.02 171.83 1y1u s GLU 404 N -4.79 0.26 -0.10 2.03 -1.05 0.04 -4.77 118.70 110.32 1y1u s GLU 404 Ca 0.63 0.80 -0.30 0.00 -0.15 0.00 0.00 54.97 55.96 1y1u s GLU 404 Cb -0.19 -0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.46 1y1u s GLU 404 CO 0.56 -0.36 1.17 -0.47 0.95 0.00 0.00 175.26 177.11 1y1u s TYR 405 N 2.52 3.20 -0.85 4.83 5.04 -1.26 -2.35 117.35 128.48 1y1u s TYR 405 Ca 0.02 1.26 -0.16 0.00 -2.44 0.00 0.00 57.07 55.76 1y1u s TYR 405 Cb -0.13 -3.38 0.18 0.00 0.35 0.00 0.00 41.96 38.98 1y1u s TYR 405 CO -0.12 -1.13 0.89 -1.01 -1.34 0.00 0.00 175.55 172.84 1y1u s HIS 406 N 2.47 3.48 0.30 4.97 3.76 -0.84 -5.01 115.29 124.43 1y1u s HIS 406 Ca 0.53 -1.71 -0.26 0.00 -0.15 0.00 0.00 55.06 53.48 1y1u s HIS 406 Cb -0.22 -4.00 -0.15 0.00 1.11 0.00 0.00 32.58 29.32 1y1u s HIS 406 CO 0.19 -1.19 0.64 1.04 -0.85 0.00 0.00 174.74 174.56 1y1u n GLN 407 N 5.07 0.55 -3.53 1.40 3.00 -1.26 -1.88 117.38 120.73 1y1u n GLN 407 Ca 0.16 0.20 -0.19 0.00 -0.01 0.00 0.00 57.00 57.16 1y1u n GLN 407 Cb 0.47 -1.38 0.07 0.00 0.00 0.00 0.00 30.24 29.40 1y1u n GLN 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1y1u n ALA 408 N -0.24 -2.02 0.00 -1.58 0.00 -1.26 -4.63 120.51 110.78 1y1u n ALA 408 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1y1u n ALA 408 Cb 0.32 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1y1u n ALA 408 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y1u n THR 409 N -4.18 0.00 -0.96 0.00 -1.04 -0.96 -5.00 114.28 102.15 1y1u n THR 409 Ca -0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1y1u n THR 409 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1y1u n THR 409 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y1u n GLY 410 N -0.33 0.49 3.59 3.41 0.00 -0.79 -4.97 105.19 106.60 1y1u n GLY 410 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1y1u n GLY 410 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1u s THR 411 N -2.24 4.33 -1.09 2.61 -4.23 -1.24 -3.66 115.64 110.12 1y1u s THR 411 Ca 0.00 1.08 -0.18 0.00 -1.18 0.00 0.00 61.69 61.41 1y1u s THR 411 Cb 0.00 -4.53 0.11 0.00 1.34 0.00 0.00 72.50 69.43 1y1u s THR 411 CO 0.00 -0.91 1.38 -0.22 -0.54 0.00 0.00 174.62 174.34 1y1u s LEU 412 N 4.14 4.51 0.86 4.79 0.20 -1.26 -1.98 118.68 129.94 1y1u s LEU 412 Ca 0.44 -2.24 -0.13 0.00 0.69 0.00 0.00 54.13 52.88 1y1u s LEU 412 Cb -0.09 -2.47 0.12 0.00 -0.43 0.00 0.00 46.19 43.33 1y1u s LEU 412 CO 0.29 -1.09 1.22 -0.44 -0.29 0.00 0.00 176.35 176.04 1y1u s SER 413 N 3.81 4.01 -0.28 3.68 0.01 -0.99 -2.68 113.70 121.26 1y1u s SER 413 Ca 0.42 0.58 -0.00 0.00 1.31 0.00 0.00 55.95 58.25 1y1u s SER 413 Cb -0.02 -0.91 0.17 0.00 0.21 0.00 0.00 66.02 65.47 1y1u s SER 413 CO -0.04 -2.19 0.51 0.00 0.41 0.00 0.00 173.24 171.93 1y1u s ALA 414 N -3.68 -1.82 -0.23 1.44 0.00 0.17 -0.78 121.76 116.86 1y1u s ALA 414 Ca 0.66 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 1y1u s ALA 414 Cb -0.08 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1y1u s ALA 414 CO 0.50 -1.43 0.22 -1.01 0.00 0.00 0.00 175.76 174.04 1y1u s HIS 415 N 2.73 3.33 -1.12 0.00 3.76 -1.26 -0.52 115.29 122.21 1y1u s HIS 415 Ca 0.16 0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 55.30 1y1u s HIS 415 Cb -0.14 -2.33 0.28 0.00 1.11 0.00 0.00 32.58 31.49 1y1u s HIS 415 CO -0.21 0.04 1.19 1.19 -0.85 0.00 0.00 174.74 176.10 1y1u n PHE 416 N 4.35 4.89 1.81 1.40 3.01 0.27 -4.88 117.46 128.31 1y1u n PHE 416 Ca -0.13 -3.72 0.11 0.00 1.01 0.00 0.00 57.45 54.71 1y1u n PHE 416 Cb 0.52 -1.68 0.57 0.00 -0.01 0.00 0.00 39.48 38.88 1y1u n PHE 416 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1y1u n ARG 417 N 2.67 1.19 -2.81 -1.08 1.85 -1.26 -2.05 116.66 115.16 1y1u n ARG 417 Ca 0.25 -0.28 -0.08 0.00 -1.00 0.00 0.00 57.85 56.75 1y1u n ARG 417 Cb 0.38 -1.35 0.02 0.00 -1.05 0.00 0.00 32.46 30.46 1y1u n ARG 417 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1y1u n ASN 418 N -0.54 -2.92 -4.46 2.89 6.94 -1.24 -4.66 115.26 111.27 1y1u n ASN 418 Ca 0.16 -3.05 -0.26 0.00 -0.02 0.00 0.00 54.58 51.41 1y1u n ASN 418 Cb 0.14 1.57 0.14 0.00 -2.36 0.00 0.00 39.78 39.27 1y1u n ASN 418 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1y1u s MET 419 N 0.66 1.25 -0.27 -3.83 -1.94 0.02 -4.67 119.30 110.53 1y1u s MET 419 Ca 0.31 -0.91 -0.24 0.00 -1.71 0.00 0.00 55.69 53.14 1y1u s MET 419 Cb 0.11 -2.16 0.07 0.00 2.01 0.00 0.00 34.83 34.86 1y1u s MET 419 CO -0.15 -1.83 0.71 0.45 -0.01 0.00 0.00 175.02 174.20 1y1u s SER 420 N -4.81 -0.78 0.23 3.03 0.15 -1.26 -2.94 113.70 107.32 1y1u s SER 420 Ca 0.70 1.46 -0.02 0.00 0.70 0.00 0.00 55.95 58.78 1y1u s SER 420 Cb -0.04 1.45 -0.05 0.00 -1.71 0.00 0.00 66.02 65.67 1y1u s SER 420 CO 0.48 -0.25 0.45 -0.76 1.20 0.00 0.00 173.24 174.36 1y1u s LEU 421 N 0.56 4.17 -0.19 3.45 2.01 -1.26 -2.29 118.68 125.13 1y1u s LEU 421 Ca -0.01 0.52 -0.16 0.00 0.01 0.00 0.00 54.13 54.49 1y1u s LEU 421 Cb -0.05 -3.30 0.05 0.00 0.01 0.00 0.00 46.19 42.90 1y1u s LEU 421 CO -0.02 -0.10 0.49 -0.54 1.01 0.00 0.00 176.35 177.20 1y1u s LYS 422 N -3.39 0.55 0.21 1.70 1.02 -1.22 -0.77 119.74 117.84 1y1u s LYS 422 Ca 0.40 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1y1u s LYS 422 Cb -0.11 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1y1u s LYS 422 CO 0.29 -0.09 0.00 0.54 -0.92 0.00 0.00 175.35 175.17 1y1u n ARG 423 N 3.20 -3.64 0.00 1.68 1.74 -1.26 -4.39 116.66 113.98 1y1u n ARG 423 Ca -0.16 2.68 0.00 0.00 -0.77 0.00 0.00 57.85 59.60 1y1u n ARG 423 Cb 0.56 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 1y1u n ARG 423 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y1u n GLU 433 N 0.67 0.00 -3.55 5.56 1.02 -1.26 -4.67 120.64 118.41 1y1u n GLU 433 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1y1u n GLU 433 Cb 0.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1y1u n GLU 433 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1y1u s SER 434 N 1.71 -0.31 0.33 1.62 1.04 -1.26 -5.03 113.70 111.81 1y1u s SER 434 Ca 0.00 -0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.48 1y1u s SER 434 Cb 0.00 0.36 0.59 0.00 0.10 0.00 0.00 66.02 67.07 1y1u s SER 434 CO 0.00 -0.59 1.77 0.58 0.98 0.00 0.00 173.24 175.97 1y1u h VAL 435 N 2.00 1.29 0.00 5.02 2.07 -1.98 -3.04 116.25 121.62 1y1u h VAL 435 Ca -0.21 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1y1u h VAL 435 Cb 1.23 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1y1u h VAL 435 CO 0.29 0.41 0.00 1.07 0.02 0.00 0.00 177.57 179.36 1y1u n THR 436 N -4.06 0.67 0.32 2.57 5.66 -1.26 -2.69 114.28 115.49 1y1u n THR 436 Ca -0.02 0.09 0.05 0.00 -3.05 0.00 0.00 64.05 61.13 1y1u n THR 436 Cb 0.44 -0.87 0.06 0.00 -1.55 0.00 0.00 70.33 68.41 1y1u n THR 436 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1y1u n GLU 437 N -1.88 0.90 -2.31 1.09 1.02 -1.15 -4.12 120.64 114.18 1y1u n GLU 437 Ca 0.04 -1.29 -0.43 0.00 -0.02 0.00 0.00 57.16 55.46 1y1u n GLU 437 Cb 0.27 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1y1u n GLU 437 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1y1u s GLU 438 N -0.89 3.57 -0.11 3.49 2.02 -1.10 -4.97 118.70 120.71 1y1u s GLU 438 Ca 0.14 1.02 -0.17 0.00 0.02 0.00 0.00 54.97 55.98 1y1u s GLU 438 Cb 0.09 -4.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.24 1y1u s GLU 438 CO 0.13 -1.57 0.42 0.15 0.02 0.00 0.00 175.26 174.41 1y1u s LYS 439 N 4.97 4.25 0.21 1.61 1.02 -1.26 -4.32 119.74 126.22 1y1u s LYS 439 Ca 0.63 0.35 0.08 0.00 0.02 0.00 0.00 55.97 57.06 1y1u s LYS 439 Cb -0.15 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1y1u s LYS 439 CO 0.32 0.26 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.80 1y1u s PHE 440 N 0.31 1.81 0.00 3.18 0.40 -0.29 -2.15 117.98 121.24 1y1u s PHE 440 Ca 0.23 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1y1u s PHE 440 Cb -0.15 -0.84 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 1y1u s PHE 440 CO 0.09 0.41 -0.09 -0.08 0.70 0.00 0.00 175.22 176.24 1y1u s THR 441 N -2.75 0.71 -0.24 0.64 -1.32 0.86 0.10 115.64 113.64 1y1u s THR 441 Ca 0.22 -0.50 -0.23 0.00 -1.21 0.00 0.00 61.69 59.98 1y1u s THR 441 Cb -0.02 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1y1u s THR 441 CO 0.08 0.12 0.73 -0.69 -2.21 0.00 0.00 174.62 172.65 1y1u s VAL 442 N -0.38 4.91 -0.06 5.08 1.01 -1.26 -1.04 120.40 128.66 1y1u s VAL 442 Ca 0.02 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.19 1y1u s VAL 442 Cb -0.04 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1y1u s VAL 442 CO -0.00 -0.02 0.45 -0.22 0.00 0.00 0.00 175.10 175.31 1y1u s LEU 443 N 2.65 4.37 -0.30 3.92 2.96 0.42 -0.67 118.68 132.03 1y1u s LEU 443 Ca 0.31 0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1y1u s LEU 443 Cb -0.15 -2.65 0.05 0.00 0.50 0.00 0.00 46.19 43.93 1y1u s LEU 443 CO 0.08 0.16 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.91 1y1u s PHE 444 N -0.21 3.24 0.01 5.38 0.40 0.67 -1.43 117.98 126.04 1y1u s PHE 444 Ca 0.25 -1.79 0.07 0.00 -0.60 0.00 0.00 56.93 54.85 1y1u s PHE 444 Cb -0.16 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1y1u s PHE 444 CO 0.12 -0.79 -0.20 -1.83 0.70 0.00 0.00 175.22 173.23 1y1u s GLU 445 N 1.27 2.15 0.09 0.44 -1.05 -0.79 -1.68 118.70 119.13 1y1u s GLU 445 Ca -0.04 -0.92 -0.12 0.00 -0.15 0.00 0.00 54.97 53.73 1y1u s GLU 445 Cb -0.19 -2.18 0.02 0.00 -0.44 0.00 0.00 34.13 31.33 1y1u s GLU 445 CO -0.01 0.56 0.29 0.45 0.95 0.00 0.00 175.26 177.50 1y1u s SER 446 N -1.10 -0.06 0.04 0.83 0.15 -0.83 0.25 113.70 112.97 1y1u s SER 446 Ca 0.13 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 1y1u s SER 446 Cb -0.10 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1y1u s SER 446 CO 0.03 -0.75 0.07 -1.58 1.20 0.00 0.00 173.24 172.20 1y1u s GLN 447 N -3.59 0.55 0.00 5.44 0.74 -1.26 -0.21 119.66 121.33 1y1u s GLN 447 Ca 0.02 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1y1u s GLN 447 Cb 0.03 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1y1u s GLN 447 CO -0.10 -0.13 0.00 1.97 -0.55 0.00 0.00 175.29 176.48 1y1u n PHE 448 N 0.82 0.00 -4.41 1.67 -1.74 -0.34 -4.68 117.46 108.79 1y1u n PHE 448 Ca -0.19 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.40 1y1u n PHE 448 Cb 0.58 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 1y1u n PHE 448 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1y1u s SER 449 N 0.00 4.05 -0.10 5.98 1.04 -1.26 0.83 113.70 124.24 1y1u s SER 449 Ca 0.00 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 1y1u s SER 449 Cb 0.00 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 1y1u s SER 449 CO 0.00 0.21 -0.04 -0.69 0.98 0.00 0.00 173.24 173.70 1y1u s VAL 450 N -1.08 3.95 0.00 5.02 1.01 0.41 -4.79 120.40 124.91 1y1u s VAL 450 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1y1u s VAL 450 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1y1u s VAL 450 CO 0.09 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1y1u n GLY 451 N 2.58 -1.92 0.27 4.51 0.00 -1.26 -3.99 105.19 105.38 1y1u n GLY 451 Ca -0.18 -1.42 0.04 0.00 0.00 0.00 0.00 46.02 44.47 1y1u n GLY 451 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1y1u h SER 452 N 0.00 0.35 0.00 1.61 0.02 -1.95 -3.44 113.55 110.14 1y1u h SER 452 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1y1u h SER 452 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1y1u h SER 452 CO 0.00 0.16 0.00 -3.20 -1.14 0.00 0.00 176.83 172.65 1y1u n ASN 453 N -4.95 0.00 0.00 3.07 5.15 -1.26 -5.11 115.26 112.16 1y1u n ASN 453 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1y1u n ASN 453 Cb 0.37 0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.79 1y1u n ASN 453 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1y1u n GLU 454 N -1.76 0.00 -2.31 1.20 0.28 -1.26 -4.13 120.64 112.65 1y1u n GLU 454 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 1y1u n GLU 454 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1y1u n GLU 454 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1y1u s LEU 455 N -1.95 4.41 -0.04 -1.84 1.02 -1.26 -4.94 118.68 114.09 1y1u s LEU 455 Ca 0.00 2.25 0.02 0.00 0.02 0.00 0.00 54.13 56.41 1y1u s LEU 455 Cb 0.00 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.62 1y1u s LEU 455 CO 0.00 -0.47 -0.07 0.54 0.02 0.00 0.00 176.35 176.37 1y1u s VAL 456 N 0.37 0.68 0.23 -1.59 0.11 -1.26 -0.45 120.40 118.50 1y1u s VAL 456 Ca 0.57 -0.26 0.10 0.00 -2.93 0.00 0.00 61.98 59.46 1y1u s VAL 456 Cb -0.34 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1y1u s VAL 456 CO 0.35 0.24 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.81 1y1u s PHE 457 N 0.52 2.01 -0.22 1.54 0.08 0.24 -4.95 117.98 117.20 1y1u s PHE 457 Ca -0.08 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.55 1y1u s PHE 457 Cb -0.11 -0.91 0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1y1u s PHE 457 CO 0.01 0.52 -0.12 1.14 -0.10 0.00 0.00 175.22 176.67 1y1u s GLN 458 N -3.45 2.23 0.13 0.44 -2.07 -1.26 -1.20 119.66 114.48 1y1u s GLN 458 Ca 0.25 -1.05 -0.15 0.00 -1.82 0.00 0.00 55.36 52.59 1y1u s GLN 458 Cb -0.03 -2.64 -0.07 0.00 -1.09 0.00 0.00 33.01 29.18 1y1u s GLN 458 CO 0.11 -0.46 0.54 0.14 -1.32 0.00 0.00 175.29 174.29 1y1u s VAL 459 N 1.27 4.86 0.06 3.63 -7.23 0.71 -4.96 120.40 118.73 1y1u s VAL 459 Ca -0.04 0.86 0.04 0.00 -1.81 0.00 0.00 61.98 61.03 1y1u s VAL 459 Cb -0.17 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 1y1u s VAL 459 CO -0.08 0.29 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.35 1y1u s LYS 460 N -1.82 0.70 -0.17 4.82 1.02 -1.26 -1.97 119.74 121.06 1y1u s LYS 460 Ca 0.36 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 1y1u s LYS 460 Cb -0.16 -0.62 0.05 0.00 -0.52 0.00 0.00 37.83 36.59 1y1u s LYS 460 CO 0.19 0.13 0.43 -0.08 -0.92 0.00 0.00 175.35 175.10 1y1u s THR 461 N -1.25 -0.02 -0.05 2.17 -1.32 -0.68 -4.95 115.64 109.55 1y1u s THR 461 Ca -0.05 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.42 1y1u s THR 461 Cb -0.10 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1y1u s THR 461 CO 0.01 0.02 0.21 -0.76 -2.21 0.00 0.00 174.62 171.90 1y1u s LEU 462 N 1.01 4.39 0.62 9.08 1.43 -1.26 -0.24 118.68 133.71 1y1u s LEU 462 Ca -0.06 0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1y1u s LEU 462 Cb -0.06 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1y1u s LEU 462 CO -0.09 0.33 1.03 -0.94 0.23 0.00 0.00 176.35 176.92 1y1u s SER 463 N -1.39 6.17 0.98 2.29 1.04 0.15 -4.94 113.70 118.00 1y1u s SER 463 Ca 0.22 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.96 1y1u s SER 463 Cb -0.13 -2.47 0.09 0.00 0.10 0.00 0.00 66.02 63.61 1y1u s SER 463 CO 0.11 -0.91 0.59 0.18 0.98 0.00 0.00 173.24 174.20 1y1u n LEU 464 N -2.72 0.39 -4.77 2.42 4.77 -1.26 -4.58 117.00 111.24 1y1u n LEU 464 Ca 0.06 0.27 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 1y1u n LEU 464 Cb 0.54 -1.25 0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1y1u n LEU 464 CO 0.57 -3.17 0.71 -2.84 -1.33 0.00 0.00 177.39 171.33 1y1u s PRO 465 N -3.92 2.38 0.05 3.23 0.02 -1.26 -4.56 135.00 130.93 1y1u s PRO 465 Ca 0.60 1.23 0.04 0.00 0.02 0.00 0.00 61.00 62.89 1y1u s PRO 465 Cb -0.21 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1y1u s PRO 465 CO 0.65 -1.55 -0.11 0.08 -0.33 0.00 0.00 177.00 175.73 1y1u s VAL 466 N -2.76 0.86 -0.26 3.83 1.01 0.29 -4.73 120.40 118.64 1y1u s VAL 466 Ca 0.63 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1y1u s VAL 466 Cb -0.18 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.42 1y1u s VAL 466 CO 0.52 -0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.63 1y1u s VAL 467 N -1.13 2.30 -0.09 2.92 1.01 0.28 -1.14 120.40 124.55 1y1u s VAL 467 Ca -0.04 -1.51 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 1y1u s VAL 467 Cb -0.09 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1y1u s VAL 467 CO 0.01 0.02 0.63 -0.69 0.00 0.00 0.00 175.10 175.08 1y1u s VAL 468 N 1.15 5.08 -0.20 2.92 1.01 -1.26 -1.90 120.40 127.20 1y1u s VAL 468 Ca -0.07 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.20 1y1u s VAL 468 Cb -0.19 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1y1u s VAL 468 CO -0.05 0.26 -0.10 0.27 0.00 0.00 0.00 175.10 175.47 1y1u s ILE 469 N 0.87 1.65 -0.42 2.22 -4.36 -0.72 -4.88 121.20 115.56 1y1u s ILE 469 Ca 0.33 -1.03 -0.13 0.00 -0.26 0.00 0.00 60.65 59.57 1y1u s ILE 469 Cb -0.17 -1.73 0.05 0.00 1.25 0.00 0.00 42.46 41.86 1y1u s ILE 469 CO 0.15 0.16 0.29 0.54 0.24 0.00 0.00 174.94 176.32 1y1u s VAL 470 N 1.39 4.80 0.00 8.37 0.11 -1.26 -3.42 120.40 130.39 1y1u s VAL 470 Ca -0.01 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1y1u s VAL 470 Cb -0.16 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 1y1u s VAL 470 CO -0.08 -0.41 0.00 1.41 -3.33 0.00 0.00 175.10 172.69 1y1u n HIS 471 N 5.07 -0.40 0.00 1.54 -0.00 -1.26 -5.06 115.22 115.11 1y1u n HIS 471 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 1y1u n HIS 471 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1y1u n HIS 471 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y1u n GLY 472 N 0.00 0.95 3.10 -1.41 0.00 -1.26 -5.06 105.19 101.51 1y1u n GLY 472 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1y1u n GLY 472 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y1u s SER 473 N -1.00 0.13 -0.48 1.61 0.01 -1.26 -4.99 113.70 107.73 1y1u s SER 473 Ca 0.00 0.73 0.08 0.00 1.31 0.00 0.00 55.95 58.07 1y1u s SER 473 Cb 0.00 0.95 0.37 0.00 0.21 0.00 0.00 66.02 67.55 1y1u s SER 473 CO 0.00 -0.24 0.94 0.00 0.41 0.00 0.00 173.24 174.35 1y1u n GLN 474 N 5.37 2.62 -0.25 12.44 6.02 -1.26 -4.80 117.38 137.51 1y1u n GLN 474 Ca -0.07 -4.32 0.17 0.00 -0.01 0.00 0.00 57.00 52.77 1y1u n GLN 474 Cb 0.50 -2.03 0.48 0.00 1.02 0.00 0.00 30.24 30.20 1y1u n GLN 474 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1y1u h ASP 475 N 2.89 0.47 0.28 1.08 3.32 -2.00 -3.16 116.42 119.31 1y1u h ASP 475 Ca 0.14 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1y1u h ASP 475 Cb 0.76 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1y1u h ASP 475 CO 0.73 0.20 -0.19 0.45 -1.72 0.00 0.00 179.24 178.71 1y1u h HIS 476 N 0.48 -0.50 -0.43 4.55 3.86 -1.98 0.37 115.15 121.50 1y1u h HIS 476 Ca 0.47 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.53 1y1u h HIS 476 Cb 1.06 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1y1u h HIS 476 CO -0.00 -0.30 -0.29 -0.91 0.86 0.00 0.00 177.93 177.29 1y1u h ASN 477 N -0.46 0.97 -0.06 2.45 2.35 -1.93 -3.03 115.58 115.87 1y1u h ASN 477 Ca -0.02 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1y1u h ASN 477 Cb 0.40 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1y1u h ASN 477 CO 0.01 1.19 0.01 0.00 -1.65 0.00 0.00 177.43 176.98 1y1u h ALA 478 N 0.87 0.08 0.00 -0.83 0.00 -1.53 -2.76 119.26 115.10 1y1u h ALA 478 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y1u h ALA 478 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1y1u h ALA 478 CO 0.08 -0.26 0.14 0.00 0.00 0.00 0.00 179.25 179.21 1y1u h THR 479 N -0.16 0.00 0.04 0.00 1.03 -0.19 0.04 112.91 113.68 1y1u h THR 479 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.42 1y1u h THR 479 Cb 0.31 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1y1u h THR 479 CO 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 175.52 175.49 1y1u h ALA 480 N 1.69 -0.05 -0.03 0.00 0.00 -1.37 -2.24 119.26 117.25 1y1u h ALA 480 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1y1u h ALA 480 Cb 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y1u h ALA 480 CO 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.27 1y1u h THR 481 N -0.98 0.16 0.08 0.00 1.03 -0.92 0.36 112.91 112.65 1y1u h THR 481 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1y1u h THR 481 Cb 0.49 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1y1u h THR 481 CO 0.01 0.00 -0.04 0.58 -0.01 0.00 0.00 175.52 176.06 1y1u h VAL 482 N 0.00 0.92 -0.54 0.00 2.07 -1.34 -3.03 116.25 114.34 1y1u h VAL 482 Ca 0.01 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.18 1y1u h VAL 482 Cb 0.19 1.65 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 1y1u h VAL 482 CO -0.00 0.28 -0.44 0.25 0.02 0.00 0.00 177.57 177.68 1y1u h LEU 483 N -0.93 -1.50 -1.40 2.57 7.12 0.24 0.23 115.31 121.64 1y1u h LEU 483 Ca -0.01 0.24 0.03 0.00 0.13 0.00 0.00 57.88 58.27 1y1u h LEU 483 Cb 0.54 0.67 -0.04 0.00 -0.53 0.00 0.00 40.66 41.31 1y1u h LEU 483 CO 0.02 -0.34 0.43 -0.25 -0.13 0.00 0.00 178.44 178.17 1y1u h TRP 484 N -0.26 0.75 -0.15 1.25 7.01 -1.09 -0.49 115.95 122.97 1y1u h TRP 484 Ca 0.16 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.08 1y1u h TRP 484 Cb 0.57 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1y1u h TRP 484 CO -0.69 0.44 -0.33 0.22 -2.79 0.00 0.00 178.44 175.29 1y1u h ASP 485 N 0.78 0.55 -0.50 2.65 1.82 -0.91 -2.29 116.42 118.51 1y1u h ASP 485 Ca 0.26 -0.56 -0.06 0.00 -0.39 0.00 0.00 57.03 56.28 1y1u h ASP 485 Cb 0.08 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 1y1u h ASP 485 CO -0.07 1.01 0.08 0.78 -1.61 0.00 0.00 179.24 179.43 1y1u h ASN 486 N 0.11 0.79 0.53 2.28 -0.26 0.05 -2.70 115.58 116.38 1y1u h ASN 486 Ca 0.00 -0.26 -0.03 0.00 -0.56 0.00 0.00 56.30 55.46 1y1u h ASN 486 Cb 0.93 -0.21 0.01 0.00 -1.06 0.00 0.00 38.32 37.98 1y1u h ASN 486 CO 0.07 0.85 -0.25 0.00 -1.06 0.00 0.00 177.43 177.03 1y1u h ALA 487 N 0.97 -0.71 -0.15 -0.83 0.00 -1.18 -3.38 119.26 113.98 1y1u h ALA 487 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y1u h ALA 487 Cb 0.39 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1y1u h ALA 487 CO 0.01 -0.74 0.00 1.19 0.00 0.00 0.00 179.25 179.71 1y1u n PHE 488 N -5.28 0.18 -1.67 0.00 0.99 -0.86 -4.94 117.46 105.87 1y1u n PHE 488 Ca -0.11 -0.09 -0.52 0.00 -0.00 0.00 0.00 57.45 56.73 1y1u n PHE 488 Cb 0.32 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.74 1y1u n PHE 488 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y1u n ALA 489 N 1.11 0.47 -1.76 4.37 0.00 -1.02 -4.55 120.51 119.13 1y1u n ALA 489 Ca 0.17 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 1y1u n ALA 489 Cb 0.54 -2.40 0.02 0.00 0.00 0.00 0.00 19.45 17.61 1y1u n ALA 489 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y1u s GLU 490 N 4.10 3.44 0.18 0.00 2.56 -1.26 -4.96 118.70 122.76 1y1u s GLU 490 Ca 0.97 2.10 -0.31 0.00 0.00 0.00 0.00 54.97 57.73 1y1u s GLU 490 Cb -0.86 -2.37 -0.09 0.00 2.00 0.00 0.00 34.13 32.80 1y1u s GLU 490 CO 0.57 -0.91 1.47 -2.14 -0.56 0.00 0.00 175.26 173.70 1y1u s PRO 491 N -2.75 4.27 -1.33 4.30 0.02 -1.26 -2.42 135.00 135.82 1y1u s PRO 491 Ca 0.67 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1y1u s PRO 491 Cb -0.37 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1y1u s PRO 491 CO 0.44 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 177.03 1y1u n GLY 492 N 3.19 0.80 3.70 0.52 0.00 -1.26 -4.98 105.19 107.16 1y1u n GLY 492 Ca 0.11 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1y1u n GLY 492 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1y1u n ARG 493 N -2.49 2.75 -1.53 1.61 -4.01 -1.02 -4.90 116.66 107.08 1y1u n ARG 493 Ca -0.14 1.00 -0.54 0.00 -1.04 0.00 0.00 57.85 57.12 1y1u n ARG 493 Cb 0.51 -2.87 -0.08 0.00 -3.04 0.00 0.00 32.46 26.98 1y1u n ARG 493 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 1y1u n VAL 494 N 4.41 0.23 0.00 8.89 3.14 -1.26 -4.50 118.33 129.24 1y1u n VAL 494 Ca 0.17 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1y1u n VAL 494 Cb 0.36 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.77 1y1u n VAL 494 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1y1u n PRO 495 N 7.04 0.00 -1.88 1.45 -0.02 -1.26 -2.77 135.00 137.56 1y1u n PRO 495 Ca 0.37 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 1y1u n PRO 495 Cb 0.16 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.68 1y1u n PRO 495 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1y1u n PHE 496 N 0.00 3.04 -2.38 6.00 3.01 -1.26 -4.94 117.46 120.92 1y1u n PHE 496 Ca 0.00 -2.63 -0.42 0.00 1.01 0.00 0.00 57.45 55.40 1y1u n PHE 496 Cb 0.00 -0.74 -0.02 0.00 -0.01 0.00 0.00 39.48 38.71 1y1u n PHE 496 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1u s ALA 497 N -3.72 2.96 0.25 4.37 0.00 -1.11 -4.99 121.76 119.52 1y1u s ALA 497 Ca 0.55 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1y1u s ALA 497 Cb 0.44 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1y1u s ALA 497 CO -0.07 -2.58 0.17 0.14 0.00 0.00 0.00 175.76 173.41 1y1u s VAL 498 N 5.60 4.30 1.33 0.00 -7.23 -1.26 -4.28 120.40 118.87 1y1u s VAL 498 Ca 0.57 -1.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1y1u s VAL 498 Cb -0.12 -3.32 0.33 0.00 0.56 0.00 0.00 36.38 33.84 1y1u s VAL 498 CO 0.30 -0.35 0.89 -2.65 -0.31 0.00 0.00 175.10 172.98 1y1u n PRO 499 N -1.12 -3.68 -0.05 4.82 -0.02 -1.26 -5.01 135.00 128.68 1y1u n PRO 499 Ca -0.08 -1.07 -0.08 0.00 -2.02 0.00 0.00 63.50 60.25 1y1u n PRO 499 Cb 0.58 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1y1u n PRO 499 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1y1u n ASP 500 N -5.20 2.38 -4.73 2.55 2.03 -1.26 -4.96 116.55 107.36 1y1u n ASP 500 Ca 0.07 0.01 -0.24 0.00 0.52 0.00 0.00 54.79 55.15 1y1u n ASP 500 Cb 0.57 -0.19 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 1y1u n ASP 500 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1y1u s LYS 501 N -2.18 2.25 -0.19 -0.67 -2.85 -1.26 -1.22 119.74 113.62 1y1u s LYS 501 Ca -0.13 -1.75 -0.20 0.00 -1.00 0.00 0.00 55.97 52.90 1y1u s LYS 501 Cb 0.04 -2.04 0.05 0.00 -2.06 0.00 0.00 37.83 33.83 1y1u s LYS 501 CO 0.19 -0.03 0.56 0.08 0.10 0.00 0.00 175.35 176.25 1y1u s VAL 502 N -2.54 0.00 0.10 1.79 1.01 -0.68 -4.92 120.40 115.15 1y1u s VAL 502 Ca 0.40 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.05 1y1u s VAL 502 Cb 0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 1y1u s VAL 502 CO 0.22 -0.01 1.22 -0.76 0.00 0.00 0.00 175.10 175.77 1y1u s LEU 503 N 0.13 4.39 0.21 3.92 1.02 -1.26 0.85 118.68 127.95 1y1u s LEU 503 Ca -0.01 2.11 -0.21 0.00 0.02 0.00 0.00 54.13 56.03 1y1u s LEU 503 Cb -0.04 -3.59 0.15 0.00 0.02 0.00 0.00 46.19 42.73 1y1u s LEU 503 CO 0.01 -0.47 1.55 1.87 0.02 0.00 0.00 176.35 179.34 1y1u n TRP 504 N 3.56 -0.11 0.33 0.29 -0.00 -1.16 -0.85 117.44 119.50 1y1u n TRP 504 Ca 0.08 1.24 0.21 0.00 -0.00 0.00 0.00 57.50 59.02 1y1u n TRP 504 Cb 0.45 -0.79 1.10 0.00 -0.00 0.00 0.00 31.31 32.08 1y1u n TRP 504 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1y1u h PRO 505 N 0.00 0.00 0.07 5.87 0.13 -1.82 0.51 132.00 136.76 1y1u h PRO 505 Ca 0.29 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.17 1y1u h PRO 505 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 1y1u h PRO 505 CO -0.98 0.00 -1.09 -0.56 -0.23 0.00 0.00 178.00 175.14 1y1u h GLN 506 N 0.00 0.38 -0.50 0.86 3.07 -1.38 -2.82 115.11 114.72 1y1u h GLN 506 Ca 0.00 -0.50 -0.04 0.00 0.09 0.00 0.00 58.65 58.20 1y1u h GLN 506 Cb 0.18 0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 1y1u h GLN 506 CO 0.00 1.18 0.14 1.25 0.09 0.00 0.00 178.83 181.49 1y1u h LEU 507 N 0.17 0.68 -0.53 0.06 6.46 -0.99 -2.71 115.31 118.46 1y1u h LEU 507 Ca -0.11 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1y1u h LEU 507 Cb 1.77 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 41.48 1y1u h LEU 507 CO 0.19 0.66 0.30 0.00 -0.62 0.00 0.00 178.44 178.97 1y1u h GLU 509 N 0.59 0.00 0.52 0.00 4.11 -1.32 0.22 114.58 118.70 1y1u h GLU 509 Ca 0.22 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 1y1u h GLU 509 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1y1u h GLU 509 CO -0.12 0.19 -0.25 0.00 0.07 0.00 0.00 179.01 178.90 1y1u h ALA 510 N 1.81 -0.70 -0.36 1.06 0.00 -1.13 -2.66 119.26 117.28 1y1u h ALA 510 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1y1u h ALA 510 Cb 1.01 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1y1u h ALA 510 CO 0.02 -0.68 -0.38 -0.07 0.00 0.00 0.00 179.25 178.15 1y1u h LEU 511 N -1.13 -1.24 -0.48 0.00 3.38 -0.52 -1.76 115.31 113.56 1y1u h LEU 511 Ca -0.07 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1y1u h LEU 511 Cb 0.58 0.55 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 1y1u h LEU 511 CO 0.12 -0.35 0.02 -1.13 0.09 0.00 0.00 178.44 177.18 1y1u h ASN 512 N -0.32 -0.17 0.70 -0.43 -0.00 -1.06 0.22 115.58 114.53 1y1u h ASN 512 Ca 0.14 0.11 -0.03 0.00 -0.00 0.00 0.00 56.30 56.52 1y1u h ASN 512 Cb 0.57 0.19 0.01 0.00 -0.00 0.00 0.00 38.32 39.08 1y1u h ASN 512 CO -0.53 -0.05 -0.34 -0.03 -0.00 0.00 0.00 177.43 176.48 1y1u h MET 513 N 0.13 -0.92 -0.64 6.67 4.05 -1.00 -0.70 114.93 122.53 1y1u h MET 513 Ca 0.24 0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.80 1y1u h MET 513 Cb 0.36 0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.30 1y1u h MET 513 CO -0.39 -0.61 0.32 -0.22 0.23 0.00 0.00 176.91 176.24 1y1u h LYS 514 N -0.95 0.55 0.00 0.39 1.63 -0.77 -1.73 116.57 115.69 1y1u h LYS 514 Ca -0.10 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1y1u h LYS 514 Cb 0.73 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1y1u h LYS 514 CO 0.15 0.37 -0.24 0.35 -3.45 0.00 0.00 179.45 176.63 1y1u h PHE 515 N 0.57 -0.71 -0.32 1.91 3.57 -0.19 -0.25 116.94 121.51 1y1u h PHE 515 Ca 0.30 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1y1u h PHE 515 Cb 0.27 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1y1u h PHE 515 CO -0.11 -0.26 -0.24 0.87 -2.23 0.00 0.00 178.31 176.34 1y1u h LYS 516 N -0.31 -0.21 -0.96 1.11 1.57 -1.10 0.67 116.57 117.35 1y1u h LYS 516 Ca 0.00 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.99 1y1u h LYS 516 Cb 0.33 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 1y1u h LYS 516 CO -0.16 -0.14 0.54 0.00 -0.57 0.00 0.00 179.45 179.12 1y1u h ALA 517 N 0.89 1.57 0.09 3.86 0.00 -1.23 0.44 119.26 124.88 1y1u h ALA 517 Ca 0.16 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1y1u h ALA 517 Cb 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1y1u h ALA 517 CO -0.44 -0.12 -0.55 1.49 0.00 0.00 0.00 179.25 179.63 1y1u h GLU 518 N 0.66 0.20 -0.01 0.00 4.57 -0.08 -3.25 114.58 116.68 1y1u h GLU 518 Ca 0.56 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1y1u h GLU 518 Cb 0.91 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1y1u h GLU 518 CO -0.41 1.16 -0.05 1.33 -1.18 0.00 0.00 179.01 179.86 1y1u n VAL 519 N -4.28 0.00 -3.76 0.32 0.24 0.14 -4.68 118.33 106.30 1y1u n VAL 519 Ca -0.13 -0.13 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 1y1u n VAL 519 Cb 0.71 0.09 0.03 0.00 -1.47 0.00 0.00 33.84 33.19 1y1u n VAL 519 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y1u n GLN 520 N -0.48 -2.10 -3.93 7.34 6.02 0.15 -4.81 117.38 119.57 1y1u n GLN 520 Ca 0.19 0.45 -0.10 0.00 -0.01 0.00 0.00 57.00 57.53 1y1u n GLN 520 Cb 0.27 -4.31 -0.10 0.00 1.02 0.00 0.00 30.24 27.13 1y1u n GLN 520 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1y1u s SER 521 N -3.79 0.16 -0.32 1.08 0.15 -1.02 -4.98 113.70 104.97 1y1u s SER 521 Ca 0.31 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1y1u s SER 521 Cb -0.11 0.20 0.50 0.00 -1.71 0.00 0.00 66.02 64.90 1y1u s SER 521 CO 0.87 -0.44 1.65 -0.46 1.20 0.00 0.00 173.24 176.06 1y1u n ASN 522 N 1.06 3.64 -4.49 5.45 0.23 -1.26 -4.54 115.26 115.35 1y1u n ASN 522 Ca -0.21 -3.14 -0.43 0.00 -0.53 0.00 0.00 54.58 50.28 1y1u n ASN 522 Cb 0.57 -0.74 -0.03 0.00 -2.08 0.00 0.00 39.78 37.50 1y1u n ASN 522 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1y1u s ARG 523 N -2.41 3.42 0.74 -3.83 3.00 -1.26 -5.01 118.95 113.60 1y1u s ARG 523 Ca 0.42 -1.20 -0.11 0.00 0.00 0.00 0.00 55.73 54.84 1y1u s ARG 523 Cb 0.35 -4.76 0.17 0.00 0.00 0.00 0.00 34.95 30.71 1y1u s ARG 523 CO 0.08 -1.93 1.01 0.41 0.00 0.00 0.00 175.30 174.87 1y1u n GLY 524 N 5.77 -1.09 3.55 -3.53 0.00 -1.26 -4.76 105.19 103.87 1y1u n GLY 524 Ca 0.16 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1y1u n GLY 524 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1u s LEU 525 N 0.00 3.30 1.00 0.99 1.02 -1.26 -5.00 118.68 118.73 1y1u s LEU 525 Ca 0.58 0.40 -0.12 0.00 0.02 0.00 0.00 54.13 55.02 1y1u s LEU 525 Cb -0.02 -2.59 0.19 0.00 0.02 0.00 0.00 46.19 43.80 1y1u s LEU 525 CO 0.41 -2.35 1.08 0.42 0.02 0.00 0.00 176.35 175.93 1y1u s THR 526 N 9.01 2.29 0.21 5.49 -4.23 -1.26 -4.53 115.64 122.62 1y1u s THR 526 Ca 0.68 0.09 -0.21 0.00 -1.18 0.00 0.00 61.69 61.08 1y1u s THR 526 Cb -0.13 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.50 1y1u s THR 526 CO 0.21 -0.12 1.56 0.11 -0.54 0.00 0.00 174.62 175.84 1y1u h LYS 527 N -1.99 -0.05 0.16 3.99 6.56 -2.00 0.33 116.57 123.56 1y1u h LYS 527 Ca -0.53 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.08 1y1u h LYS 527 Cb 1.30 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.95 1y1u h LYS 527 CO 0.51 -0.03 -0.23 0.93 -2.06 0.00 0.00 179.45 178.57 1y1u h GLU 528 N -0.05 -0.43 -0.58 3.15 5.08 -1.99 -3.05 114.58 116.71 1y1u h GLU 528 Ca 0.28 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.77 1y1u h GLU 528 Cb 0.56 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 1y1u h GLU 528 CO -0.91 -0.29 -0.33 -0.91 -1.00 0.00 0.00 179.01 175.58 1y1u h ASN 529 N -0.44 -1.14 -1.05 1.42 -0.26 -1.30 0.22 115.58 113.04 1y1u h ASN 529 Ca 0.02 0.22 0.27 0.00 -0.56 0.00 0.00 56.30 56.25 1y1u h ASN 529 Cb 0.45 0.57 -0.10 0.00 -1.06 0.00 0.00 38.32 38.18 1y1u h ASN 529 CO -0.10 -0.30 0.67 -0.07 -1.06 0.00 0.00 177.43 176.57 1y1u h LEU 530 N -0.16 0.45 0.29 1.61 3.38 -1.12 -1.74 115.31 118.02 1y1u h LEU 530 Ca 0.23 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1y1u h LEU 530 Cb 0.55 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1y1u h LEU 530 CO -0.67 0.08 -0.14 0.58 0.09 0.00 0.00 178.44 178.37 1y1u h VAL 531 N 0.39 0.58 -0.94 1.22 2.07 -0.50 -0.29 116.25 118.77 1y1u h VAL 531 Ca 0.60 -0.79 0.23 0.00 0.82 0.00 0.00 66.70 67.57 1y1u h VAL 531 Cb 1.53 0.91 -0.18 0.00 -1.52 0.00 0.00 31.29 32.04 1y1u h VAL 531 CO -0.31 0.13 -0.07 0.33 0.02 0.00 0.00 177.57 177.67 1y1u n PHE 532 N -5.07 0.51 0.00 1.57 7.35 -0.52 0.62 117.46 121.92 1y1u n PHE 532 Ca -0.08 1.14 0.00 0.00 -0.76 0.00 0.00 57.45 57.75 1y1u n PHE 532 Cb 0.26 -1.15 0.00 0.00 0.35 0.00 0.00 39.48 38.94 1y1u n PHE 532 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1y1u n LEU 533 N -5.45 0.00 -0.29 -2.13 4.77 -0.82 -0.92 117.00 112.17 1y1u n LEU 533 Ca 0.20 0.98 0.15 0.00 -0.03 0.00 0.00 56.01 57.30 1y1u n LEU 533 Cb 0.64 -0.48 0.28 0.00 -2.33 0.00 0.00 43.42 41.53 1y1u n LEU 533 CO -0.09 -0.48 0.71 0.00 -1.33 0.00 0.00 177.39 176.20 1y1u n ALA 534 N -1.98 0.49 0.19 -1.18 0.00 0.71 0.14 120.51 118.89 1y1u n ALA 534 Ca 0.00 0.90 -0.15 0.00 0.00 0.00 0.00 53.44 54.20 1y1u n ALA 534 Cb 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 1y1u n ALA 534 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y1u h GLN 535 N 0.00 -0.39 0.12 0.00 4.20 0.23 0.10 115.11 119.36 1y1u h GLN 535 Ca 0.54 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.29 1y1u h GLN 535 Cb 1.17 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1y1u h GLN 535 CO -0.78 -0.25 -0.23 -0.22 -0.67 0.00 0.00 178.83 176.68 1y1u h LYS 536 N -0.41 -0.41 -0.24 1.46 3.64 0.32 0.10 116.57 121.03 1y1u h LYS 536 Ca -0.04 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1y1u h LYS 536 Cb 0.32 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1y1u h LYS 536 CO 0.07 -0.27 0.10 1.25 -2.27 0.00 0.00 179.45 178.32 1y1u h LEU 537 N -0.43 0.32 0.00 5.20 7.12 -0.43 -3.04 115.31 124.05 1y1u h LEU 537 Ca 0.03 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1y1u h LEU 537 Cb 0.45 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1y1u h LEU 537 CO -0.13 0.39 -0.31 0.49 -0.13 0.00 0.00 178.44 178.76 1y1u n PHE 538 N -4.80 0.43 -3.84 1.25 3.01 0.34 -4.95 117.46 108.91 1y1u n PHE 538 Ca -0.03 0.13 -0.34 0.00 1.01 0.00 0.00 57.45 58.22 1y1u n PHE 538 Cb 0.12 -0.62 0.02 0.00 -0.01 0.00 0.00 39.48 38.99 1y1u n PHE 538 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1y1u n ASN 539 N -1.91 -3.88 -4.02 4.37 5.15 0.35 -5.00 115.26 110.32 1y1u n ASN 539 Ca 0.05 -1.08 -0.08 0.00 -0.60 0.00 0.00 54.58 52.87 1y1u n ASN 539 Cb 0.40 -2.91 -0.09 0.00 -0.53 0.00 0.00 39.78 36.64 1y1u n ASN 539 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1y1u s ILE 540 N -3.60 0.20 0.09 -1.44 1.10 -1.18 -5.07 121.20 111.29 1y1u s ILE 540 Ca 0.37 -1.61 -0.05 0.00 -0.51 0.00 0.00 60.65 58.84 1y1u s ILE 540 Cb -0.15 -1.44 -0.25 0.00 0.15 0.00 0.00 42.46 40.77 1y1u s ILE 540 CO 0.89 -0.89 1.19 0.28 -2.11 0.00 0.00 174.94 174.30 1y1u h SER 541 N 3.08 0.51 -0.20 4.50 0.02 -1.94 -3.41 113.55 116.10 1y1u h SER 541 Ca -0.34 -0.49 -0.17 0.00 -0.84 0.00 0.00 61.79 59.95 1y1u h SER 541 Cb 1.16 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1y1u h SER 541 CO 0.63 1.34 0.13 -1.20 -1.14 0.00 0.00 176.83 176.58 1y1u n SER 542 N -3.63 0.22 -0.48 3.07 7.64 -1.26 -4.84 113.62 114.35 1y1u n SER 542 Ca -0.09 0.23 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1y1u n SER 542 Cb 0.96 -0.17 0.03 0.00 -1.01 0.00 0.00 64.21 64.01 1y1u n SER 542 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1y1u n ASN 543 N 0.75 1.90 -3.93 6.43 2.04 -1.26 -4.78 115.26 116.40 1y1u n ASN 543 Ca 0.06 -1.45 -0.11 0.00 -0.44 0.00 0.00 54.58 52.63 1y1u n ASN 543 Cb -0.01 0.27 -0.13 0.00 -2.53 0.00 0.00 39.78 37.39 1y1u n ASN 543 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1y1u s HIS 544 N -1.64 0.19 0.12 -2.53 -3.43 -1.26 -5.03 115.29 101.70 1y1u s HIS 544 Ca 0.15 -0.24 -0.27 0.00 -0.80 0.00 0.00 55.06 53.90 1y1u s HIS 544 Cb 0.13 -0.13 -0.07 0.00 -1.43 0.00 0.00 32.58 31.08 1y1u s HIS 544 CO 0.31 -0.08 1.63 1.25 -2.00 0.00 0.00 174.74 175.85 1y1u h LEU 545 N 5.46 -0.82 -0.97 5.38 6.46 -1.92 -2.88 115.31 126.02 1y1u h LEU 545 Ca -0.28 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1y1u h LEU 545 Cb 1.21 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 1y1u h LEU 545 CO 0.46 -0.36 0.46 1.05 -0.62 0.00 0.00 178.44 179.44 1y1u h GLU 546 N -0.46 0.00 -0.67 1.25 9.09 -1.99 0.57 114.58 122.37 1y1u h GLU 546 Ca 0.05 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.56 1y1u h GLU 546 Cb 0.52 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.54 1y1u h GLU 546 CO -0.20 0.00 0.28 -0.44 0.05 0.00 0.00 179.01 178.70 1y1u h ASP 547 N 0.00 0.30 1.18 3.06 3.32 -1.94 -3.09 116.42 119.24 1y1u h ASP 547 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1y1u h ASP 547 Cb 0.92 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1y1u h ASP 547 CO 0.00 0.17 -0.16 -1.22 -1.72 0.00 0.00 179.24 176.31 1y1u n TYR 548 N -4.96 0.58 -0.44 4.55 4.02 0.20 -4.17 117.16 116.93 1y1u n TYR 548 Ca 0.10 0.17 0.37 0.00 -0.01 0.00 0.00 57.90 58.53 1y1u n TYR 548 Cb 0.30 -0.73 0.61 0.00 -0.02 0.00 0.00 39.34 39.50 1y1u n TYR 548 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1y1u n ASN 549 N -2.00 0.16 -0.44 7.72 4.13 -1.17 0.65 115.26 124.30 1y1u n ASN 549 Ca 0.05 1.16 0.10 0.00 1.68 0.00 0.00 54.58 57.57 1y1u n ASN 549 Cb 0.40 -0.57 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 1y1u n ASN 549 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1y1u n SER 550 N -4.33 1.88 -4.12 6.41 7.64 -1.26 -4.59 113.62 115.25 1y1u n SER 550 Ca 0.36 -1.44 -0.29 0.00 1.01 0.00 0.00 58.87 58.50 1y1u n SER 550 Cb 1.43 0.50 0.22 0.00 -1.01 0.00 0.00 64.21 65.35 1y1u n SER 550 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1y1u s MET 551 N -2.32 -0.75 -0.10 1.43 -1.94 0.21 -4.92 119.30 110.90 1y1u s MET 551 Ca 0.17 0.16 -0.05 0.00 -1.71 0.00 0.00 55.69 54.25 1y1u s MET 551 Cb 0.16 -1.63 0.04 0.00 2.01 0.00 0.00 34.83 35.42 1y1u s MET 551 CO 0.53 -3.44 0.24 -1.54 -0.01 0.00 0.00 175.02 170.79 1y1u s SER 552 N -3.67 -0.25 -0.21 3.03 1.04 -1.26 -2.99 113.70 109.39 1y1u s SER 552 Ca 0.69 0.50 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 1y1u s SER 552 Cb -0.13 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1y1u s SER 552 CO 0.57 -0.15 -0.03 -0.69 0.98 0.00 0.00 173.24 173.91 1y1u s VAL 553 N 1.12 3.51 0.71 5.02 1.01 0.25 -4.86 120.40 127.16 1y1u s VAL 553 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1y1u s VAL 553 Cb -0.09 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1y1u s VAL 553 CO -0.07 0.42 1.06 -0.55 0.00 0.00 0.00 175.10 175.97 1y1u s SER 554 N 1.33 5.25 0.21 3.32 0.15 -1.26 -1.69 113.70 121.00 1y1u s SER 554 Ca 0.04 1.64 -0.10 0.00 0.70 0.00 0.00 55.95 58.23 1y1u s SER 554 Cb -0.14 -2.49 0.27 0.00 -1.71 0.00 0.00 66.02 61.95 1y1u s SER 554 CO -0.01 -1.53 1.75 -0.25 1.20 0.00 0.00 173.24 174.39 1y1u h TRP 555 N -0.78 0.41 0.00 3.44 2.91 -1.54 -1.54 115.95 118.85 1y1u h TRP 555 Ca -0.44 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.59 1y1u h TRP 555 Cb 1.21 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.77 1y1u h TRP 555 CO 0.61 0.11 -0.10 0.66 -1.03 0.00 0.00 178.44 178.69 1y1u h SER 556 N 0.42 0.00 0.19 2.65 4.64 -1.91 0.17 113.55 119.71 1y1u h SER 556 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1y1u h SER 556 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1y1u h SER 556 CO -0.30 0.10 -0.19 0.00 -0.87 0.00 0.00 176.83 175.58 1y1u n GLN 557 N -3.52 1.00 -0.12 4.77 6.02 -0.67 0.15 117.38 125.00 1y1u n GLN 557 Ca -0.02 -0.56 -0.18 0.00 -0.01 0.00 0.00 57.00 56.23 1y1u n GLN 557 Cb 0.24 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.90 1y1u n GLN 557 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1y1u n PHE 558 N -0.51 0.00 -2.01 1.08 7.35 0.36 -4.71 117.46 119.02 1y1u n PHE 558 Ca 0.14 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1y1u n PHE 558 Cb 0.34 -0.96 -0.00 0.00 0.35 0.00 0.00 39.48 39.21 1y1u n PHE 558 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1y1u n ASN 559 N -3.27 -0.05 0.00 -2.13 4.05 0.08 -1.36 115.26 112.58 1y1u n ASN 559 Ca -0.44 -1.28 0.00 0.00 0.45 0.00 0.00 54.58 53.30 1y1u n ASN 559 Cb 0.96 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.95 1y1u n ASN 559 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1y1u n ARG 560 N 0.01 0.00 -1.86 1.20 0.63 -0.55 -4.95 116.66 111.13 1y1u n ARG 560 Ca -0.02 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 1y1u n ARG 560 Cb 0.57 -0.30 -0.03 0.00 0.45 0.00 0.00 32.46 33.14 1y1u n ARG 560 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1y1u s GLU 561 N -0.86 4.18 0.39 -0.14 8.01 0.39 -4.88 118.70 125.79 1y1u s GLU 561 Ca 0.00 2.43 -0.25 0.00 0.01 0.00 0.00 54.97 57.16 1y1u s GLU 561 Cb 0.00 -3.39 -0.09 0.00 -4.31 0.00 0.00 34.13 26.35 1y1u s GLU 561 CO 0.00 -0.71 1.10 -0.80 0.01 0.00 0.00 175.26 174.86 1y1u s ASN 562 N 1.90 6.70 0.28 -0.19 0.01 -1.26 -4.30 114.94 118.07 1y1u s ASN 562 Ca 0.74 2.19 -0.30 0.00 -0.71 0.00 0.00 52.86 54.79 1y1u s ASN 562 Cb -0.43 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.52 1y1u s ASN 562 CO 0.33 -0.54 1.44 -0.76 -1.51 0.00 0.00 177.10 176.06 1y1u s LEU 563 N -2.46 4.38 0.07 0.60 1.43 0.55 -4.88 118.68 118.38 1y1u s LEU 563 Ca 0.56 2.74 -0.04 0.00 -1.03 0.00 0.00 54.13 56.36 1y1u s LEU 563 Cb -0.27 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.42 1y1u s LEU 563 CO 0.33 -0.72 0.47 -2.65 0.23 0.00 0.00 176.35 174.01 1y1u n PRO 564 N 1.90 -0.05 0.22 1.29 -0.02 -1.26 0.69 135.00 137.76 1y1u n PRO 564 Ca 0.05 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1y1u n PRO 564 Cb 0.40 -0.69 0.37 0.00 -0.02 0.00 0.00 33.50 33.56 1y1u n PRO 564 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1y1u h GLY 565 N 0.00 0.00 -2.28 -1.23 0.00 -1.97 -3.48 103.07 94.12 1y1u h GLY 565 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 47.03 1y1u h GLY 565 CO -0.30 0.00 -0.64 -0.98 0.00 0.00 0.00 176.54 174.62 1y1u s TRP 566 N -3.47 1.74 -0.52 5.60 0.52 0.22 -5.04 118.94 117.98 1y1u s TRP 566 Ca 0.02 -0.93 0.02 0.00 0.02 0.00 0.00 56.10 55.23 1y1u s TRP 566 Cb 0.09 -1.05 0.53 0.00 -1.15 0.00 0.00 33.47 31.88 1y1u s TRP 566 CO 0.65 -0.02 1.85 0.09 0.02 0.00 0.00 176.95 179.54 1y1u n ASN 567 N -0.53 5.59 -4.21 2.95 3.02 -1.26 -4.24 115.26 116.57 1y1u n ASN 567 Ca -0.04 -3.73 -0.12 0.00 -0.03 0.00 0.00 54.58 50.66 1y1u n ASN 567 Cb 0.65 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.89 1y1u n ASN 567 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1y1u s TYR 568 N -3.58 1.08 0.82 3.10 1.13 -1.26 -5.02 117.35 113.61 1y1u s TYR 568 Ca 0.59 -0.87 -0.07 0.00 -1.41 0.00 0.00 57.07 55.31 1y1u s TYR 568 Cb 0.48 -0.59 0.16 0.00 -1.10 0.00 0.00 41.96 40.91 1y1u s TYR 568 CO 0.03 -0.07 1.13 0.95 -2.51 0.00 0.00 175.55 175.08 1y1u s THR 569 N -3.52 2.07 0.05 -3.49 -4.23 -1.26 -0.33 115.64 104.92 1y1u s THR 569 Ca 0.15 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.06 1y1u s THR 569 Cb 0.04 -2.71 -0.17 0.00 1.34 0.00 0.00 72.50 71.00 1y1u s THR 569 CO -0.02 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.78 1y1u h PHE 570 N -0.99 -0.02 -0.61 3.99 3.04 -1.74 -3.01 116.94 117.61 1y1u h PHE 570 Ca -0.39 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.59 1y1u h PHE 570 Cb 1.25 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.73 1y1u h PHE 570 CO -0.60 0.17 0.37 2.35 -2.02 0.00 0.00 178.31 178.57 1y1u h TRP 571 N -0.20 0.70 -0.84 0.41 2.91 -1.58 -2.25 115.95 115.09 1y1u h TRP 571 Ca -0.00 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.14 1y1u h TRP 571 Cb 0.19 -0.22 -0.12 0.00 -0.51 0.00 0.00 29.16 28.49 1y1u h TRP 571 CO -0.02 0.39 -0.49 1.96 -1.03 0.00 0.00 178.44 179.26 1y1u h GLN 572 N 0.73 -0.09 0.01 2.65 7.50 -1.83 0.62 115.11 124.69 1y1u h GLN 572 Ca 0.25 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.41 1y1u h GLN 572 Cb 0.03 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 1y1u h GLN 572 CO -0.11 -0.06 -0.06 2.35 -1.50 0.00 0.00 178.83 179.45 1y1u h TRP 573 N -0.09 -0.18 -0.82 2.96 7.01 -1.29 -0.34 115.95 123.19 1y1u h TRP 573 Ca 0.21 0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.40 1y1u h TRP 573 Cb 0.52 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 1y1u h TRP 573 CO -0.88 -0.07 0.55 0.35 -2.79 0.00 0.00 178.44 175.61 1y1u h PHE 574 N -0.08 0.41 0.59 2.65 3.04 -0.85 0.17 116.94 122.87 1y1u h PHE 574 Ca 0.00 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1y1u h PHE 574 Cb 0.09 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.47 1y1u h PHE 574 CO -0.34 0.13 -0.28 0.22 -2.02 0.00 0.00 178.31 176.01 1y1u h ASP 575 N 0.33 -0.67 -0.30 0.41 1.82 0.41 -2.77 116.42 115.64 1y1u h ASP 575 Ca 0.41 -0.03 0.09 0.00 -0.39 0.00 0.00 57.03 57.11 1y1u h ASP 575 Cb 1.12 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 1y1u h ASP 575 CO -0.12 -0.32 0.32 1.23 -1.61 0.00 0.00 179.24 178.74 1y1u h GLY 576 N -1.06 0.00 0.52 -0.78 0.00 0.11 0.17 103.07 102.03 1y1u h GLY 576 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1y1u h GLY 576 CO 0.13 0.00 -0.25 -2.08 0.00 0.00 0.00 176.54 174.34 1y1u h VAL 577 N 0.00 0.00 -0.96 4.60 2.07 -1.16 -2.12 116.25 118.69 1y1u h VAL 577 Ca 0.14 -0.20 0.22 0.00 0.82 0.00 0.00 66.70 67.67 1y1u h VAL 577 Cb 0.78 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 1y1u h VAL 577 CO -0.00 0.00 0.53 0.24 0.02 0.00 0.00 177.57 178.36 1y1u h MET 578 N -0.91 0.56 0.54 1.57 2.07 -1.08 -0.49 114.93 117.21 1y1u h MET 578 Ca -0.07 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.50 1y1u h MET 578 Cb 0.54 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 30.15 1y1u h MET 578 CO 0.12 0.37 -0.26 1.49 1.07 0.00 0.00 176.91 179.70 1y1u h GLU 579 N 0.58 -0.70 -0.39 1.72 4.57 -0.70 -0.26 114.58 119.40 1y1u h GLU 579 Ca 0.59 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.85 1y1u h GLU 579 Cb 1.05 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1y1u h GLU 579 CO -0.46 -0.47 0.26 -0.39 -1.18 0.00 0.00 179.01 176.77 1y1u h VAL 580 N -0.83 1.02 0.61 0.32 -1.51 -1.19 0.11 116.25 114.79 1y1u h VAL 580 Ca -0.07 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.23 1y1u h VAL 580 Cb 0.56 0.59 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1y1u h VAL 580 CO 0.12 0.07 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.17 1y1u h LEU 581 N 0.39 -0.70 -0.44 4.19 3.38 -1.04 -1.26 115.31 119.84 1y1u h LEU 581 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y1u h LEU 581 Cb 0.15 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1y1u h LEU 581 CO -0.04 -0.39 0.00 2.29 0.09 0.00 0.00 178.44 180.39 1y1u n LYS 582 N -5.38 0.16 0.07 1.13 -0.00 -0.12 -0.81 118.16 113.21 1y1u n LYS 582 Ca -0.12 0.34 -0.21 0.00 -0.00 0.00 0.00 58.31 58.32 1y1u n LYS 582 Cb 0.35 -1.78 -0.15 0.00 -0.00 0.00 0.00 35.03 33.46 1y1u n LYS 582 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1y1u h LYS 583 N 0.00 0.34 0.00 -1.58 3.64 -0.54 -3.44 116.57 114.99 1y1u h LYS 583 Ca 0.00 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1y1u h LYS 583 Cb 0.40 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1y1u h LYS 583 CO 0.00 1.28 -0.51 0.72 -2.27 0.00 0.00 179.45 178.67 1y1u n HIS 584 N -4.05 0.00 -1.18 1.91 8.25 -0.49 -4.92 115.22 114.74 1y1u n HIS 584 Ca -0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.39 1y1u n HIS 584 Cb 0.87 0.00 0.18 0.00 1.12 0.00 0.00 29.99 32.16 1y1u n HIS 584 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y1u n HIS 585 N -1.06 0.26 -0.05 4.41 8.25 0.01 -4.77 115.22 122.27 1y1u n HIS 585 Ca 0.00 -1.11 -0.09 0.00 -0.26 0.00 0.00 57.72 56.26 1y1u n HIS 585 Cb 0.15 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 1y1u n HIS 585 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1y1u h LYS 586 N 0.58 -0.28 0.01 -0.41 1.57 -1.48 -1.99 116.57 114.56 1y1u h LYS 586 Ca 0.02 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1y1u h LYS 586 Cb 1.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1y1u h LYS 586 CO 0.07 -0.19 -0.06 -1.35 -0.57 0.00 0.00 179.45 177.35 1y1u h PRO 587 N -0.30 -0.10 -0.25 3.15 0.11 -1.89 -2.15 132.00 130.57 1y1u h PRO 587 Ca 0.14 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.33 1y1u h PRO 587 Cb 0.51 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1y1u h PRO 587 CO -0.42 -0.07 0.58 0.45 -0.21 0.00 0.00 178.00 178.33 1y1u h HIS 588 N -0.10 0.00 0.26 0.65 3.86 -1.73 -1.00 115.15 117.08 1y1u h HIS 588 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1y1u h HIS 588 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1y1u h HIS 588 CO -0.12 0.00 -0.12 2.35 0.86 0.00 0.00 177.93 180.89 1y1u h TRP 589 N 0.00 -0.32 0.00 2.45 7.01 -0.80 0.77 115.95 125.06 1y1u h TRP 589 Ca 0.12 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 1y1u h TRP 589 Cb 1.27 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.43 1y1u h TRP 589 CO 0.00 -0.20 -0.34 -2.95 -2.79 0.00 0.00 178.44 172.17 1y1u h ASN 590 N -0.91 0.00 -1.00 2.65 -1.07 -1.63 -0.97 115.58 112.65 1y1u h ASN 590 Ca -0.04 0.00 0.21 0.00 0.07 0.00 0.00 56.30 56.55 1y1u h ASN 590 Cb 0.26 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.40 1y1u h ASN 590 CO 0.06 0.34 0.61 -0.78 0.07 0.00 0.00 177.43 177.72 1y1u h ASP 591 N 0.00 0.73 0.00 6.14 3.58 -1.28 -3.46 116.42 122.13 1y1u h ASP 591 Ca -0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1y1u h ASP 591 Cb 0.77 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1y1u h ASP 591 CO 0.04 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 1y1u n GLY 592 N -1.33 0.57 0.26 -0.78 0.00 -0.37 -5.00 105.19 98.54 1y1u n GLY 592 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1y1u n GLY 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1u h ALA 593 N 0.00 1.47 -3.33 4.61 0.00 -1.11 -3.39 119.26 117.52 1y1u h ALA 593 Ca 0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 1y1u h ALA 593 Cb 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.42 1y1u h ALA 593 CO 0.00 0.12 -0.61 -1.50 0.00 0.00 0.00 179.25 177.25 1y1u s ILE 594 N -4.45 3.00 0.12 0.00 1.10 -1.23 -4.59 121.20 115.14 1y1u s ILE 594 Ca -0.04 -2.02 -0.19 0.00 -0.51 0.00 0.00 60.65 57.89 1y1u s ILE 594 Cb 0.14 -3.04 -0.06 0.00 0.15 0.00 0.00 42.46 39.66 1y1u s ILE 594 CO 0.60 -0.58 1.71 0.25 -2.11 0.00 0.00 174.94 174.82 1y1u h LEU 595 N 7.94 0.32 0.00 8.50 5.85 -1.73 -3.46 115.31 132.73 1y1u h LEU 595 Ca -0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1y1u h LEU 595 Cb 1.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1y1u h LEU 595 CO 0.63 0.32 0.00 0.61 -0.34 0.00 0.00 178.44 179.66 1y1u n GLY 596 N -0.94 1.70 2.92 3.75 0.00 0.30 -4.77 105.19 108.15 1y1u n GLY 596 Ca -0.03 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1y1u n GLY 596 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y1u n PHE 597 N 0.00 2.56 -3.78 1.61 3.01 -1.26 0.49 117.46 120.08 1y1u n PHE 597 Ca 0.00 -2.67 -0.13 0.00 1.01 0.00 0.00 57.45 55.66 1y1u n PHE 597 Cb 0.00 -1.58 -0.11 0.00 -0.01 0.00 0.00 39.48 37.78 1y1u n PHE 597 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1y1u s VAL 598 N -1.33 0.02 0.24 -4.37 1.01 -1.26 -4.75 120.40 109.95 1y1u s VAL 598 Ca 0.36 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1y1u s VAL 598 Cb 0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1y1u s VAL 598 CO 0.05 -0.08 0.35 0.54 0.00 0.00 0.00 175.10 175.97 1y1u s ASN 599 N -0.24 6.31 0.32 3.32 6.03 -1.26 -4.47 114.94 124.95 1y1u s ASN 599 Ca -0.04 0.07 0.07 0.00 -1.03 0.00 0.00 52.86 51.93 1y1u s ASN 599 Cb -0.03 -1.85 0.91 0.00 -3.03 0.00 0.00 41.25 37.25 1y1u s ASN 599 CO 0.01 -0.07 1.58 0.50 -2.03 0.00 0.00 177.10 177.09 1y1u h LYS 600 N 1.21 0.01 0.27 3.55 1.63 -1.99 0.20 116.57 121.46 1y1u h LYS 600 Ca -0.52 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.27 1y1u h LYS 600 Cb 1.23 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1y1u h LYS 600 CO 0.61 0.01 -0.13 0.37 -3.45 0.00 0.00 179.45 176.86 1y1u h GLN 601 N 0.01 -0.35 -0.95 1.90 5.75 -1.98 0.34 115.11 119.83 1y1u h GLN 601 Ca 0.67 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 59.24 1y1u h GLN 601 Cb 1.50 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 30.07 1y1u h GLN 601 CO -0.88 -0.20 0.61 1.96 -2.65 0.00 0.00 178.83 177.68 1y1u h GLN 602 N -0.41 1.12 -0.67 1.69 4.20 -1.08 0.27 115.11 120.23 1y1u h GLN 602 Ca -0.04 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.70 1y1u h GLN 602 Cb 0.31 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 1y1u h GLN 602 CO 0.06 0.74 0.29 0.00 -0.67 0.00 0.00 178.83 179.26 1y1u h ALA 603 N 1.41 0.91 -0.37 3.87 0.00 -0.75 -1.01 119.26 123.31 1y1u h ALA 603 Ca 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1y1u h ALA 603 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1y1u h ALA 603 CO -0.15 -0.13 0.21 1.25 0.00 0.00 0.00 179.25 180.44 1y1u h HIS 604 N 0.50 0.50 -0.10 0.00 -0.00 0.16 -3.11 115.15 113.10 1y1u h HIS 604 Ca 0.34 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.63 1y1u h HIS 604 Cb 0.40 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1y1u h HIS 604 CO -0.14 0.38 -0.21 -0.44 -0.00 0.00 0.00 177.93 177.52 1y1u h ASP 605 N 0.48 0.36 0.42 3.26 3.32 -0.48 -2.79 116.42 120.98 1y1u h ASP 605 Ca 0.13 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1y1u h ASP 605 Cb 0.03 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1y1u h ASP 605 CO -0.02 0.86 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.28 1y1u h LEU 606 N -0.13 0.00 0.00 1.55 3.38 -1.21 -3.13 115.31 115.76 1y1u h LEU 606 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1y1u h LEU 606 Cb 0.80 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1y1u h LEU 606 CO 0.05 0.01 -2.02 0.18 0.09 0.00 0.00 178.44 176.74 1y1u n LEU 607 N -3.12 1.85 -0.24 1.67 4.77 -1.18 -4.73 117.00 116.02 1y1u n LEU 607 Ca -0.02 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1y1u n LEU 607 Cb 0.17 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 41.11 1y1u n LEU 607 CO 0.23 0.64 0.78 0.16 -1.33 0.00 0.00 177.39 177.87 1y1u h ILE 608 N 0.00 0.35 -0.19 -0.08 3.07 -1.43 0.61 117.51 119.83 1y1u h ILE 608 Ca -0.40 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1y1u h ILE 608 Cb 1.73 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1y1u h ILE 608 CO -0.03 0.01 0.00 -0.46 -1.05 0.00 0.00 178.15 176.62 1y1u n ASN 609 N -5.40 1.30 -4.93 2.16 2.04 -1.26 -4.93 115.26 104.24 1y1u n ASN 609 Ca 0.11 -2.05 -0.25 0.00 -0.44 0.00 0.00 54.58 51.95 1y1u n ASN 609 Cb 0.40 -0.21 0.03 0.00 -2.53 0.00 0.00 39.78 37.47 1y1u n ASN 609 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1y1u s LYS 610 N -1.68 2.85 0.96 -3.83 -0.14 0.21 -5.07 119.74 113.04 1y1u s LYS 610 Ca 0.14 -0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 54.42 1y1u s LYS 610 Cb 0.08 -2.35 0.17 0.00 -1.68 0.00 0.00 37.83 34.04 1y1u s LYS 610 CO 0.08 -0.64 1.12 -2.14 -0.76 0.00 0.00 175.35 173.01 1y1u s PRO 611 N -4.88 0.65 -0.32 -1.68 0.02 -1.26 -4.88 135.00 122.66 1y1u s PRO 611 Ca 0.53 1.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 1y1u s PRO 611 Cb -0.10 -1.69 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 1y1u s PRO 611 CO 0.43 -2.84 1.67 -0.51 -0.33 0.00 0.00 177.00 175.42 1y1u s ASP 612 N -2.64 6.11 0.00 2.53 1.01 -1.26 -2.37 116.67 120.05 1y1u s ASP 612 Ca 0.67 1.29 0.00 0.00 0.71 0.00 0.00 52.55 55.22 1y1u s ASP 612 Cb -0.23 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1y1u s ASP 612 CO 0.59 -1.53 0.00 0.61 0.21 0.00 0.00 175.17 175.05 1y1u n GLY 613 N 5.16 1.65 3.61 0.21 0.00 0.47 -4.73 105.19 111.55 1y1u n GLY 613 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 1y1u n GLY 613 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y1u n THR 614 N -0.42 0.99 -4.12 2.61 -1.04 -1.00 -0.67 114.28 110.64 1y1u n THR 614 Ca 0.00 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 1y1u n THR 614 Cb 0.00 -1.05 -0.04 0.00 -1.82 0.00 0.00 70.33 67.42 1y1u n THR 614 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1y1u s PHE 615 N -0.22 1.23 0.25 -1.42 -0.71 -1.05 -0.47 117.98 115.60 1y1u s PHE 615 Ca 0.70 -1.40 -0.14 0.00 -1.04 0.00 0.00 56.93 55.05 1y1u s PHE 615 Cb -0.78 -0.19 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 1y1u s PHE 615 CO 0.52 -1.13 0.52 -0.48 -1.34 0.00 0.00 175.22 173.31 1y1u s LEU 616 N -3.28 0.22 -0.12 -1.99 0.05 0.46 -0.58 118.68 113.43 1y1u s LEU 616 Ca 0.32 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.66 1y1u s LEU 616 Cb -0.00 1.94 -0.02 0.00 -2.05 0.00 0.00 46.19 46.06 1y1u s LEU 616 CO 0.23 -1.17 -0.13 -0.76 -0.55 0.00 0.00 176.35 173.97 1y1u s LEU 617 N -2.99 2.73 -0.03 1.48 1.43 -1.26 -2.13 118.68 117.91 1y1u s LEU 617 Ca 0.20 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1y1u s LEU 617 Cb -0.02 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1y1u s LEU 617 CO 0.08 0.20 -0.03 -0.60 0.23 0.00 0.00 176.35 176.22 1y1u s ARG 618 N 0.16 0.53 -0.26 1.70 3.52 -0.89 0.11 118.95 123.82 1y1u s ARG 618 Ca -0.07 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.16 1y1u s ARG 618 Cb -0.15 -0.58 -0.01 0.00 -1.56 0.00 0.00 34.95 32.65 1y1u s ARG 618 CO 0.05 -0.03 1.37 -0.06 -0.81 0.00 0.00 175.30 175.82 1y1u s PHE 619 N 0.59 2.57 -0.59 5.12 2.99 0.18 -1.87 117.98 126.97 1y1u s PHE 619 Ca -0.07 0.80 -0.27 0.00 0.00 0.00 0.00 56.93 57.40 1y1u s PHE 619 Cb -0.10 -3.86 -0.01 0.00 0.00 0.00 0.00 43.02 39.05 1y1u s PHE 619 CO -0.00 -2.03 1.72 -1.12 -0.00 0.00 0.00 175.22 173.79 1y1u s SER 620 N 2.99 5.56 0.47 1.36 0.01 0.13 -4.75 113.70 119.47 1y1u s SER 620 Ca 0.60 0.33 0.19 0.00 1.31 0.00 0.00 55.95 58.37 1y1u s SER 620 Cb -0.20 -2.54 1.13 0.00 0.21 0.00 0.00 66.02 64.63 1y1u s SER 620 CO 0.23 -2.15 2.00 -2.24 0.41 0.00 0.00 173.24 171.50 1y1u h ASP 621 N 13.59 0.00 -0.26 2.44 3.04 -1.90 -2.14 116.42 131.19 1y1u h ASP 621 Ca -0.27 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.57 1y1u h ASP 621 Cb 1.14 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.38 1y1u h ASP 621 CO 1.20 0.18 -0.07 -1.20 -2.04 0.00 0.00 179.24 177.31 1y1u n SER 622 N -4.07 -0.10 -3.51 4.15 7.64 -1.26 -4.72 113.62 111.74 1y1u n SER 622 Ca -0.02 0.45 -0.16 0.00 1.01 0.00 0.00 58.87 60.15 1y1u n SER 622 Cb 0.26 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1y1u n SER 622 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1y1u s GLU 623 N -5.32 1.02 0.62 1.43 2.56 -0.80 -5.07 118.70 113.12 1y1u s GLU 623 Ca -0.04 0.12 0.27 0.00 0.00 0.00 0.00 54.97 55.32 1y1u s GLU 623 Cb 0.07 0.48 1.33 0.00 2.00 0.00 0.00 34.13 38.00 1y1u s GLU 623 CO 0.20 -0.34 1.75 0.82 -0.56 0.00 0.00 175.26 177.13 1y1u h ILE 624 N 2.77 0.19 0.00 -3.70 1.08 -1.84 -2.87 117.51 113.13 1y1u h ILE 624 Ca -0.27 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.04 1y1u h ILE 624 Cb 1.17 0.49 -0.13 0.00 -3.07 0.00 0.00 36.82 35.29 1y1u h ILE 624 CO 0.37 0.00 -0.16 0.61 -0.69 0.00 0.00 178.15 178.28 1y1u n GLY 625 N -1.47 -0.33 3.57 5.37 0.00 -1.26 -4.79 105.19 106.29 1y1u n GLY 625 Ca 0.07 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 1y1u n GLY 625 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y1u s GLY 626 N -0.72 2.68 -0.14 -0.02 0.00 -1.09 -4.49 107.32 103.54 1y1u s GLY 626 Ca 0.20 -1.11 0.01 0.00 0.00 0.00 0.00 44.72 43.82 1y1u s GLY 626 CO -0.11 -1.92 -0.14 -0.42 0.00 0.00 0.00 173.10 170.51 1y1u s ILE 627 N -3.13 1.51 0.18 0.90 1.01 -0.92 -0.69 121.20 120.06 1y1u s ILE 627 Ca 0.21 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 1y1u s ILE 627 Cb 0.03 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 41.01 1y1u s ILE 627 CO 0.12 0.45 0.65 0.42 0.00 0.00 0.00 174.94 176.57 1y1u s THR 628 N 1.39 4.69 -0.29 2.92 -4.23 -0.78 -2.69 115.64 116.65 1y1u s THR 628 Ca 0.02 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.50 1y1u s THR 628 Cb -0.13 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1y1u s THR 628 CO -0.08 0.24 0.30 -0.63 -0.54 0.00 0.00 174.62 173.91 1y1u s ILE 629 N -1.48 5.22 -0.18 2.99 1.01 -1.25 -2.09 121.20 125.42 1y1u s ILE 629 Ca 0.40 0.32 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 1y1u s ILE 629 Cb -0.16 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1y1u s ILE 629 CO 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 174.94 175.27 1y1u s ALA 630 N 1.94 3.05 0.26 9.38 0.00 -0.90 -1.64 121.76 133.85 1y1u s ALA 630 Ca 0.11 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1y1u s ALA 630 Cb -0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 1y1u s ALA 630 CO 0.11 -0.01 0.03 -2.67 0.00 0.00 0.00 175.76 173.21 1y1u n TRP 631 N 3.97 0.44 -3.64 0.00 2.14 0.55 -0.41 117.44 120.50 1y1u n TRP 631 Ca -0.17 -1.42 -0.23 0.00 2.07 0.00 0.00 57.50 57.75 1y1u n TRP 631 Cb 0.52 -0.12 -0.17 0.00 -0.81 0.00 0.00 31.31 30.73 1y1u n TRP 631 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 1y1u s LYS 632 N -2.96 -0.00 0.14 -2.67 2.20 0.38 -3.58 119.74 113.25 1y1u s LYS 632 Ca 0.04 0.13 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 1y1u s LYS 632 Cb 0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.06 1y1u s LYS 632 CO 0.03 -0.51 -0.15 0.12 -0.36 0.00 0.00 175.35 174.48 1y1u s PHE 633 N 2.16 2.59 0.33 4.03 5.36 -1.26 -0.39 117.98 130.78 1y1u s PHE 633 Ca 0.03 -0.24 0.30 0.00 -0.96 0.00 0.00 56.93 56.07 1y1u s PHE 633 Cb -0.14 -1.33 1.46 0.00 -0.34 0.00 0.00 43.02 42.67 1y1u s PHE 633 CO -0.06 0.44 2.05 -0.44 -1.46 0.00 0.00 175.22 175.74 1y1u h ASP 634 N 3.44 0.00 -2.12 6.13 3.45 -1.97 -3.04 116.42 122.30 1y1u h ASP 634 Ca -0.49 0.00 -0.79 0.00 0.43 0.00 0.00 57.03 56.19 1y1u h ASP 634 Cb 1.18 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.73 1y1u h ASP 634 CO 0.50 0.10 1.39 -0.24 -1.57 0.00 0.00 179.24 179.41 1y1u n SER 635 N -3.40 6.67 0.00 6.45 2.88 -1.26 -4.92 113.62 120.04 1y1u n SER 635 Ca -0.01 -3.38 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 1y1u n SER 635 Cb 0.27 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1y1u n SER 635 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1y1u n PRO 636 N 1.55 0.00 0.00 -1.46 -0.04 -1.15 -5.08 135.00 128.82 1y1u n PRO 636 Ca 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1y1u n PRO 636 Cb 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 1y1u n PRO 636 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1y1u n ASP 637 N 0.00 0.00 0.16 3.54 9.92 -1.26 -4.74 116.55 124.18 1y1u n ASP 637 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 1y1u n ASP 637 Cb 0.00 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.55 1y1u n ASP 637 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1y1u h ARG 638 N 0.00 0.00 -3.67 -1.24 2.47 -2.04 -2.96 114.38 106.94 1y1u h ARG 638 Ca 0.00 0.00 -0.76 0.00 -1.26 0.00 0.00 59.98 57.96 1y1u h ARG 638 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.14 1y1u h ARG 638 CO 0.00 0.31 1.65 -1.71 0.56 0.00 0.00 179.97 180.78 1y1u n ASN 639 N -3.16 5.32 -4.80 7.04 5.15 -1.26 -5.05 115.26 118.51 1y1u n ASN 639 Ca 0.02 -3.12 -0.34 0.00 -0.60 0.00 0.00 54.58 50.54 1y1u n ASN 639 Cb 0.66 -1.46 -0.02 0.00 -0.53 0.00 0.00 39.78 38.43 1y1u n ASN 639 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1y1u s LEU 640 N -0.22 3.76 -0.76 1.20 0.20 -1.12 -4.84 118.68 116.89 1y1u s LEU 640 Ca 0.39 1.93 -0.32 0.00 0.69 0.00 0.00 54.13 56.81 1y1u s LEU 640 Cb 0.06 -4.56 -0.18 0.00 -0.43 0.00 0.00 46.19 41.08 1y1u s LEU 640 CO 0.02 -0.90 2.51 0.79 -0.29 0.00 0.00 176.35 178.47 1y1u n TRP 641 N -1.23 0.93 -3.72 5.38 7.02 -1.23 -4.84 117.44 119.74 1y1u n TRP 641 Ca 0.09 0.37 -0.13 0.00 -1.02 0.00 0.00 57.50 56.82 1y1u n TRP 641 Cb 0.52 -2.43 -0.13 0.00 -2.42 0.00 0.00 31.31 26.85 1y1u n TRP 641 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1y1u s ASN 642 N 8.99 -0.18 0.23 -0.99 2.20 -1.26 0.20 114.94 124.13 1y1u s ASN 642 Ca 1.24 0.50 0.04 0.00 -0.94 0.00 0.00 52.86 53.70 1y1u s ASN 642 Cb -1.05 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 38.58 1y1u s ASN 642 CO 0.47 -0.17 0.36 -1.48 -2.94 0.00 0.00 177.10 173.34 1y1u s LEU 643 N 1.36 4.30 0.65 3.54 2.34 -0.65 -4.97 118.68 125.25 1y1u s LEU 643 Ca -0.08 0.11 -0.17 0.00 0.06 0.00 0.00 54.13 54.05 1y1u s LEU 643 Cb -0.11 -2.90 -0.01 0.00 -0.56 0.00 0.00 46.19 42.62 1y1u s LEU 643 CO -0.08 -0.07 1.18 -0.54 -1.06 0.00 0.00 176.35 175.79 1y1u s LYS 644 N -3.88 2.70 0.69 1.48 1.02 -1.26 -3.82 119.74 116.68 1y1u s LYS 644 Ca 0.35 1.70 -0.16 0.00 0.02 0.00 0.00 55.97 57.88 1y1u s LYS 644 Cb -0.09 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1y1u s LYS 644 CO 0.29 -1.39 1.23 -2.14 -0.92 0.00 0.00 175.35 172.43 1y1u s PRO 645 N -3.66 2.34 -0.11 -1.68 0.02 -1.26 -4.82 135.00 125.82 1y1u s PRO 645 Ca 0.74 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.61 1y1u s PRO 645 Cb -0.28 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1y1u s PRO 645 CO 0.38 -1.70 -0.09 -0.06 -0.33 0.00 0.00 177.00 175.20 1y1u s PHE 646 N -1.77 2.90 0.26 6.54 2.99 -1.10 -4.94 117.98 122.87 1y1u s PHE 646 Ca 0.77 -0.31 0.03 0.00 0.00 0.00 0.00 56.93 57.42 1y1u s PHE 646 Cb -0.32 -1.83 0.03 0.00 0.00 0.00 0.00 43.02 40.91 1y1u s PHE 646 CO 0.42 0.02 0.25 0.25 -0.00 0.00 0.00 175.22 176.17 1y1u n THR 647 N 3.08 0.00 -0.34 0.64 -2.24 -1.26 -2.17 114.28 111.98 1y1u n THR 647 Ca -0.18 -0.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.76 1y1u n THR 647 Cb 0.53 -0.44 0.35 0.00 -2.10 0.00 0.00 70.33 68.66 1y1u n THR 647 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1u h THR 648 N 0.40 0.68 0.00 4.28 1.03 -1.97 -2.46 112.91 114.86 1y1u h THR 648 Ca -0.15 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 1y1u h THR 648 Cb 0.59 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.58 1y1u h THR 648 CO 0.23 0.13 0.00 0.54 -0.01 0.00 0.00 175.52 176.41 1y1u n ARG 649 N -4.76 0.00 -0.35 0.00 1.74 -1.26 -1.13 116.66 110.90 1y1u n ARG 649 Ca 0.24 0.58 0.10 0.00 -0.77 0.00 0.00 57.85 58.00 1y1u n ARG 649 Cb 0.61 -1.29 0.21 0.00 -1.02 0.00 0.00 32.46 30.98 1y1u n ARG 649 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1y1u h ASP 650 N 0.00 -0.71 0.57 0.55 5.19 -1.84 0.18 116.42 120.36 1y1u h ASP 650 Ca 0.00 0.29 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1y1u h ASP 650 Cb 0.00 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1y1u h ASP 650 CO 0.00 -0.35 -0.30 -0.26 -3.12 0.00 0.00 179.24 175.22 1y1u h PHE 651 N 0.00 0.00 0.00 4.55 0.05 -1.02 0.16 116.94 120.68 1y1u h PHE 651 Ca 0.54 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.33 1y1u h PHE 651 Cb 0.98 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.93 1y1u h PHE 651 CO -0.64 0.30 0.00 0.43 -0.18 0.00 0.00 178.31 178.22 1y1u n SER 652 N -3.73 0.00 -0.65 2.17 7.64 0.60 -3.14 113.62 116.52 1y1u n SER 652 Ca -0.01 0.68 0.50 0.00 1.01 0.00 0.00 58.87 61.05 1y1u n SER 652 Cb 0.40 -0.49 0.78 0.00 -1.01 0.00 0.00 64.21 63.89 1y1u n SER 652 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y1u n ILE 653 N -1.96 -0.06 -3.64 0.44 0.13 -0.93 -4.38 119.36 108.96 1y1u n ILE 653 Ca 0.00 1.54 -0.09 0.00 -1.10 0.00 0.00 62.75 63.11 1y1u n ILE 653 Cb 0.00 -2.56 -0.07 0.00 -0.84 0.00 0.00 39.64 36.17 1y1u n ILE 653 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1y1u s ARG 654 N -4.92 0.58 0.52 9.51 3.52 0.57 -5.10 118.95 123.63 1y1u s ARG 654 Ca -0.05 0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 56.13 1y1u s ARG 654 Cb 0.27 0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.84 1y1u s ARG 654 CO 0.86 -0.08 1.05 -1.54 -0.81 0.00 0.00 175.30 174.78 1y1u s SER 655 N 0.62 6.15 0.10 -2.12 1.04 -1.19 -3.61 113.70 114.69 1y1u s SER 655 Ca -0.01 1.93 -0.27 0.00 0.48 0.00 0.00 55.95 58.07 1y1u s SER 655 Cb -0.05 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.39 1y1u s SER 655 CO -0.08 -0.91 1.66 0.25 0.98 0.00 0.00 173.24 175.14 1y1u h LEU 656 N 1.26 -0.54 -0.54 2.42 5.85 -1.92 0.47 115.31 122.30 1y1u h LEU 656 Ca -0.49 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.38 1y1u h LEU 656 Cb 1.22 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.33 1y1u h LEU 656 CO 0.58 -0.31 -0.27 0.00 -0.34 0.00 0.00 178.44 178.10 1y1u h ALA 657 N 0.27 0.07 0.15 1.25 0.00 -1.94 1.04 119.26 120.09 1y1u h ALA 657 Ca -0.00 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1y1u h ALA 657 Cb 0.42 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1y1u h ALA 657 CO -0.04 -0.61 -0.21 -0.44 0.00 0.00 0.00 179.25 177.95 1y1u h ASP 658 N -0.14 -0.59 -0.87 0.00 3.32 -1.70 0.15 116.42 116.59 1y1u h ASP 658 Ca 0.24 0.06 0.15 0.00 0.02 0.00 0.00 57.03 57.51 1y1u h ASP 658 Cb 0.52 0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.19 1y1u h ASP 658 CO -0.63 -0.31 0.46 0.03 -1.72 0.00 0.00 179.24 177.08 1y1u h ARG 659 N -0.42 0.63 -0.24 3.56 3.08 0.13 0.09 114.38 121.19 1y1u h ARG 659 Ca 0.02 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1y1u h ARG 659 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1y1u h ARG 659 CO -0.10 0.41 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.69 1y1u h LEU 660 N 0.64 0.67 -0.93 3.04 3.38 0.16 -3.20 115.31 119.07 1y1u h LEU 660 Ca 0.48 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1y1u h LEU 660 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1y1u h LEU 660 CO -0.37 1.02 0.00 1.23 0.09 0.00 0.00 178.44 180.42 1y1u h GLY 661 N 1.01 0.00 1.09 0.83 0.00 0.13 -2.78 103.07 103.35 1y1u h GLY 661 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1y1u h GLY 661 CO 0.09 0.00 -0.80 -0.55 0.00 0.00 0.00 176.54 175.28 1y1u h ASP 662 N 0.00 0.00 -3.65 0.19 3.32 -1.40 -3.46 116.42 111.43 1y1u h ASP 662 Ca 0.00 -0.11 -0.62 0.00 0.02 0.00 0.00 57.03 56.32 1y1u h ASP 662 Cb 0.33 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.75 1y1u h ASP 662 CO 0.00 0.06 -0.25 -0.76 -1.72 0.00 0.00 179.24 176.57 1y1u s LEU 663 N -4.84 4.08 0.06 1.55 1.43 -1.05 -4.97 118.68 114.93 1y1u s LEU 663 Ca 0.03 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1y1u s LEU 663 Cb 0.11 -2.42 -0.30 0.00 0.03 0.00 0.00 46.19 43.61 1y1u s LEU 663 CO 0.76 -0.13 1.09 0.78 0.23 0.00 0.00 176.35 179.07 1y1u h ASN 664 N 7.90 0.51 -0.51 2.29 2.35 -1.88 -3.29 115.58 122.96 1y1u h ASN 664 Ca -0.33 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 54.85 1y1u h ASN 664 Cb 1.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 1y1u h ASN 664 CO 0.66 1.44 0.28 0.10 -1.65 0.00 0.00 177.43 178.26 1y1u h TYR 665 N 0.09 0.72 -2.07 1.19 -0.00 -1.95 -3.38 116.97 111.57 1y1u h TYR 665 Ca -0.17 -0.01 -0.51 0.00 0.00 0.00 0.00 58.73 58.04 1y1u h TYR 665 Cb 2.02 -0.23 -0.02 0.00 0.00 0.00 0.00 36.73 38.49 1y1u h TYR 665 CO 0.08 0.51 1.40 -0.51 -0.00 0.00 0.00 178.16 179.64 1y1u s LEU 666 N -9.52 3.37 -0.20 0.10 1.43 -1.24 -4.02 118.68 108.60 1y1u s LEU 666 Ca -0.09 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1y1u s LEU 666 Cb 0.17 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.51 1y1u s LEU 666 CO 0.76 -2.31 -0.28 0.00 0.23 0.00 0.00 176.35 174.76 1y1u n ILE 667 N 7.44 1.22 -3.89 -0.59 0.13 0.15 -4.89 119.36 118.94 1y1u n ILE 667 Ca 0.25 -0.21 -0.11 0.00 -1.10 0.00 0.00 62.75 61.58 1y1u n ILE 667 Cb 0.51 -1.86 -0.11 0.00 -0.84 0.00 0.00 39.64 37.34 1y1u n ILE 667 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 1y1u s TYR 668 N -2.45 0.06 0.06 9.51 -0.85 -1.22 -1.15 117.35 121.31 1y1u s TYR 668 Ca -0.29 -0.12 -0.30 0.00 -0.52 0.00 0.00 57.07 55.84 1y1u s TYR 668 Cb 0.10 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.33 1y1u s TYR 668 CO 0.37 -0.19 1.17 0.14 -1.52 0.00 0.00 175.55 175.52 1y1u s VAL 669 N -0.98 4.11 0.00 -3.49 -7.23 0.69 -2.52 120.40 110.99 1y1u s VAL 669 Ca -0.11 1.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.59 1y1u s VAL 669 Cb -0.06 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.90 1y1u s VAL 669 CO 0.00 0.12 0.00 0.33 -0.31 0.00 0.00 175.10 175.25 1y1u n PHE 670 N 3.87 0.00 -0.31 2.82 7.35 0.25 -3.25 117.46 128.19 1y1u n PHE 670 Ca 0.08 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.91 1y1u n PHE 670 Cb 0.47 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.56 1y1u n PHE 670 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1y1u n PRO 671 N 0.00 -0.07 0.00 -7.13 -0.02 -1.26 -4.40 135.00 122.12 1y1u n PRO 671 Ca 0.00 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.83 1y1u n PRO 671 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1y1u n PRO 671 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y1u n ASP 672 N -5.32 0.00 -4.60 2.55 5.75 -1.20 -5.13 116.55 108.60 1y1u n ASP 672 Ca 0.21 0.00 -0.49 0.00 -0.01 0.00 0.00 54.79 54.50 1y1u n ASP 672 Cb 0.69 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.74 1y1u n ASP 672 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1y1u n ARG 673 N -0.49 1.36 -1.37 0.11 1.85 -1.23 -4.62 116.66 112.27 1y1u n ARG 673 Ca 0.00 0.49 -0.33 0.00 -1.00 0.00 0.00 57.85 57.01 1y1u n ARG 673 Cb 0.00 -2.08 0.09 0.00 -1.05 0.00 0.00 32.46 29.43 1y1u n ARG 673 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1y1u s PRO 674 N 0.02 2.12 0.00 2.89 0.04 -1.26 -0.22 135.00 138.58 1y1u s PRO 674 Ca 0.77 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1y1u s PRO 674 Cb -0.84 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.85 1y1u s PRO 674 CO 0.49 -1.81 0.97 -0.22 0.04 0.00 0.00 177.00 176.46 1y1u h LYS 675 N -0.57 -0.02 -0.55 4.56 3.64 -1.47 -3.11 116.57 119.04 1y1u h LYS 675 Ca -0.46 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.02 1y1u h LYS 675 Cb 1.27 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 1y1u h LYS 675 CO 0.49 -0.01 -0.16 -0.25 -2.27 0.00 0.00 179.45 177.26 1y1u n ASP 676 N -2.05 -0.24 -0.29 4.20 9.92 -1.26 0.64 116.55 127.47 1y1u n ASP 676 Ca -0.00 0.95 -0.05 0.00 -0.53 0.00 0.00 54.79 55.16 1y1u n ASP 676 Cb 0.01 -0.27 -0.00 0.00 -0.64 0.00 0.00 41.12 40.22 1y1u n ASP 676 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1y1u h GLU 677 N 0.00 -0.10 -0.01 -1.24 4.81 -1.94 0.65 114.58 116.74 1y1u h GLU 677 Ca 0.25 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1y1u h GLU 677 Cb 0.38 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1y1u h GLU 677 CO -0.56 -0.07 -0.04 0.28 -0.73 0.00 0.00 179.01 177.89 1y1u n VAL 678 N -5.43 0.00 0.00 0.32 0.31 0.21 -4.42 118.33 109.32 1y1u n VAL 678 Ca 0.06 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1y1u n VAL 678 Cb 0.36 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 1y1u n VAL 678 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1y1u n PHE 679 N 0.09 0.00 0.04 3.52 3.01 -0.88 -4.88 117.46 118.36 1y1u n PHE 679 Ca 0.18 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.86 1y1u n PHE 679 Cb 0.36 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.55 1y1u n PHE 679 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1u h ALA 680 N 0.00 2.25 -0.77 4.37 0.00 0.07 0.73 119.26 125.91 1y1u h ALA 680 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1y1u h ALA 680 Cb 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1y1u h ALA 680 CO 0.00 -0.78 0.28 -0.22 0.00 0.00 0.00 179.25 178.52 1y1u h LYS 681 N 0.00 0.38 -0.06 0.00 3.64 -1.85 -3.26 116.57 115.41 1y1u h LYS 681 Ca 0.24 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1y1u h LYS 681 Cb 1.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1y1u h LYS 681 CO -0.00 0.25 0.00 0.66 -2.27 0.00 0.00 179.45 178.09 1y1u n TYR 682 N -5.05 0.06 -2.01 1.91 4.01 0.25 -4.95 117.16 111.37 1y1u n TYR 682 Ca 0.15 -0.04 -0.37 0.00 -0.16 0.00 0.00 57.90 57.48 1y1u n TYR 682 Cb 0.46 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.51 1y1u n TYR 682 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1y1u s TYR 683 N -1.46 2.50 -0.05 -0.72 4.12 -1.01 -4.59 117.35 116.13 1y1u s TYR 683 Ca 0.22 1.47 -0.21 0.00 0.02 0.00 0.00 57.07 58.58 1y1u s TYR 683 Cb 0.15 -3.56 -0.05 0.00 -1.52 0.00 0.00 41.96 36.99 1y1u s TYR 683 CO 0.23 -2.23 0.59 -0.08 0.02 0.00 0.00 175.55 174.08 1y1u s THR 684 N -1.48 5.03 0.00 -0.71 -1.32 -1.26 -5.04 115.64 110.86 1y1u s THR 684 Ca 0.71 1.22 0.00 0.00 -1.21 0.00 0.00 61.69 62.41 1y1u s THR 684 Cb -0.33 -3.93 0.00 0.00 -1.51 0.00 0.00 72.50 66.73 1y1u s THR 684 CO 0.39 0.34 0.00 -0.81 -2.21 0.00 0.00 174.62 172.33 1y1u n PRO 685 N 3.29 1.43 0.00 7.08 -0.04 -1.26 -5.12 135.00 140.39 1y1u n PRO 685 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1y1u n PRO 685 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1y1u n PRO 685 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y1u n VAL 686 N -0.54 0.00 -1.56 0.52 0.31 -1.26 -4.95 118.33 110.86 1y1u n VAL 686 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1y1u n VAL 686 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 1y1u n VAL 686 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1y1u n LEU 687 N 0.00 7.38 0.00 7.52 4.77 -1.26 -5.01 117.00 130.40 1y1u n LEU 687 Ca 0.00 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.57 1y1u n LEU 687 Cb 0.00 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1y1u n LEU 687 CO 0.00 1.60 0.00 0.00 -1.33 0.00 0.00 177.39 177.66 1y1u n ALA 688 N -0.43 0.00 -3.90 -1.18 0.00 -1.26 -5.12 120.51 108.63 1y1u n ALA 688 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.87 1y1u n ALA 688 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1y1u n ALA 688 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1y1u n LYS 689 N -0.11 1.33 0.00 0.00 5.02 -1.26 -5.24 118.16 117.90 1y1u n LYS 689 Ca 0.00 -1.32 0.13 0.00 -2.02 0.00 0.00 58.31 55.10 1y1u n LYS 689 Cb 0.00 0.23 0.35 0.00 -0.02 0.00 0.00 35.03 35.59 1y1u n LYS 689 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88