#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtw n ILE 154 N 0.00 0.31 -1.59 -1.33 2.08 -1.26 -4.91 119.36 112.66 2qtw n ILE 154 Ca 0.00 -0.06 -0.45 0.00 0.56 0.00 0.00 62.75 62.81 2qtw n ILE 154 Cb 0.00 -2.00 -0.02 0.00 -0.75 0.00 0.00 39.64 36.87 2qtw n ILE 154 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2qtw n PRO 155 N 5.31 1.34 -0.30 0.38 -0.02 -1.26 -4.78 135.00 135.66 2qtw n PRO 155 Ca 0.18 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 2qtw n PRO 155 Cb 0.35 -1.85 0.33 0.00 -0.02 0.00 0.00 33.50 32.31 2qtw n PRO 155 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2qtw h TRP 156 N 2.14 0.93 -0.40 6.00 5.08 -1.91 -1.85 115.95 125.93 2qtw h TRP 156 Ca -0.40 0.03 -0.11 0.00 1.08 0.00 0.00 58.89 59.49 2qtw h TRP 156 Cb 1.34 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 2qtw h TRP 156 CO 0.48 0.35 -0.21 -2.95 -1.28 0.00 0.00 178.44 174.83 2qtw h ASN 157 N 0.79 0.80 0.55 0.11 -1.07 -1.90 0.10 115.58 114.95 2qtw h ASN 157 Ca 0.47 -0.28 -0.18 0.00 0.07 0.00 0.00 56.30 56.37 2qtw h ASN 157 Cb 0.65 -0.22 -0.01 0.00 -2.07 0.00 0.00 38.32 36.67 2qtw h ASN 157 CO -0.23 0.99 -0.81 -0.07 0.07 0.00 0.00 177.43 177.38 2qtw h LEU 158 N 0.69 0.24 -0.78 6.14 3.38 -1.71 -2.79 115.31 120.49 2qtw h LEU 158 Ca 0.10 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2qtw h LEU 158 Cb 0.72 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2qtw h LEU 158 CO 0.06 0.95 -0.05 -0.08 0.09 0.00 0.00 178.44 179.40 2qtw h GLU 159 N 0.12 0.87 -0.48 1.13 4.57 -1.22 -3.04 114.58 116.52 2qtw h GLU 159 Ca -0.03 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 2qtw h GLU 159 Cb 1.40 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2qtw h GLU 159 CO 0.12 0.90 0.18 -0.09 -1.18 0.00 0.00 179.01 178.94 2qtw h ARG 160 N 0.80 0.69 -0.01 1.92 9.65 -0.54 -1.78 114.38 125.11 2qtw h ARG 160 Ca 0.14 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2qtw h ARG 160 Cb 0.55 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2qtw h ARG 160 CO 0.03 0.59 -0.07 0.44 2.80 0.00 0.00 179.97 183.76 2qtw n ILE 161 N -4.34 0.00 -2.74 1.20 -5.35 -1.08 -4.84 119.36 102.21 2qtw n ILE 161 Ca 0.04 -0.20 -0.42 0.00 -0.27 0.00 0.00 62.75 61.89 2qtw n ILE 161 Cb 0.17 0.40 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 2qtw n ILE 161 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qtw s THR 162 N -2.14 4.84 0.85 7.28 2.01 -0.67 -0.23 115.64 127.57 2qtw s THR 162 Ca 0.35 1.97 -0.12 0.00 0.31 0.00 0.00 61.69 64.20 2qtw s THR 162 Cb 0.21 -4.28 0.10 0.00 0.01 0.00 0.00 72.50 68.53 2qtw s THR 162 CO 0.39 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 173.34 2qtw s PRO 163 N 1.63 1.68 0.13 4.92 0.04 -1.26 -4.91 135.00 137.23 2qtw s PRO 163 Ca 0.48 0.50 0.18 0.00 0.04 0.00 0.00 61.00 62.19 2qtw s PRO 163 Cb -0.19 -1.88 0.76 0.00 0.04 0.00 0.00 34.50 33.23 2qtw s PRO 163 CO 0.21 -1.87 1.54 -2.30 0.04 0.00 0.00 177.00 174.62 2qtw n PRO 164 N -3.58 0.09 -3.71 0.56 -0.02 -1.26 -4.46 135.00 122.62 2qtw n PRO 164 Ca 0.07 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.76 2qtw n PRO 164 Cb 0.57 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 32.20 2qtw n PRO 164 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qtw s ARG 165 N -3.18 0.02 0.19 -0.52 6.06 -1.26 -5.11 118.95 115.15 2qtw s ARG 165 Ca 0.04 0.40 -0.16 0.00 -2.50 0.00 0.00 55.73 53.51 2qtw s ARG 165 Cb 0.08 -0.28 0.02 0.00 0.06 0.00 0.00 34.95 34.83 2qtw s ARG 165 CO 0.29 -0.24 0.49 1.52 -2.50 0.00 0.00 175.30 174.86 2qtw s TYR 166 N 1.70 -0.05 0.06 5.12 1.13 -1.26 -1.56 117.35 122.49 2qtw s TYR 166 Ca -0.03 -0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 2qtw s TYR 166 Cb -0.12 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 2qtw s TYR 166 CO -0.05 -0.89 0.00 -2.13 -2.51 0.00 0.00 175.55 169.97 2qtw n ARG 167 N -0.33 0.00 -3.80 -3.49 3.00 -1.26 -4.94 116.66 105.85 2qtw n ARG 167 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2qtw n ARG 167 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.86 2qtw n ARG 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qtw n GLY 176 N 3.31 -2.05 1.71 5.14 0.00 -1.26 -5.13 105.19 106.91 2qtw n GLY 176 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2qtw n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qtw n GLY 177 N -0.45 0.50 0.08 -0.02 0.00 -1.26 -2.21 105.19 101.83 2qtw n GLY 177 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2qtw n GLY 177 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qtw h SER 178 N 0.00 0.16 0.76 1.61 4.64 -1.93 -2.86 113.55 115.92 2qtw h SER 178 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2qtw h SER 178 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2qtw h SER 178 CO 0.00 1.16 0.00 0.25 -0.87 0.00 0.00 176.83 177.37 2qtw h LEU 179 N 0.03 0.00 -9.76 5.97 6.46 -1.93 -3.45 115.31 112.62 2qtw h LEU 179 Ca -0.12 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.01 2qtw h LEU 179 Cb 1.89 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.75 2qtw h LEU 179 CO 0.14 0.00 -0.55 -0.69 -0.62 0.00 0.00 178.44 176.73 2qtw s VAL 180 N -3.64 4.98 -0.06 1.05 1.01 -1.08 -4.17 120.40 118.49 2qtw s VAL 180 Ca 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2qtw s VAL 180 Cb 0.09 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2qtw s VAL 180 CO 0.47 0.16 -0.20 -1.61 0.00 0.00 0.00 175.10 173.91 2qtw s GLU 181 N -2.37 2.62 -0.26 2.72 2.02 -0.96 -4.14 118.70 118.33 2qtw s GLU 181 Ca 0.31 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 2qtw s GLU 181 Cb -0.13 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.82 2qtw s GLU 181 CO 0.24 0.44 0.03 0.08 0.02 0.00 0.00 175.26 176.07 2qtw s VAL 182 N -0.28 3.77 0.09 2.63 1.01 -0.61 -1.09 120.40 125.92 2qtw s VAL 182 Ca 0.01 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2qtw s VAL 182 Cb -0.13 -2.86 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 2qtw s VAL 182 CO 0.03 0.22 0.61 -0.31 0.00 0.00 0.00 175.10 175.64 2qtw s TYR 183 N 1.50 3.83 -0.16 5.22 2.02 0.19 -1.68 117.35 128.27 2qtw s TYR 183 Ca 0.04 1.34 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 2qtw s TYR 183 Cb -0.16 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.86 2qtw s TYR 183 CO 0.01 0.58 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.23 2qtw s LEU 184 N -1.12 2.39 -0.36 -1.29 2.96 0.35 -0.71 118.68 120.89 2qtw s LEU 184 Ca 0.30 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.61 2qtw s LEU 184 Cb -0.20 -1.54 0.04 0.00 0.50 0.00 0.00 46.19 44.98 2qtw s LEU 184 CO 0.20 0.06 0.16 -0.76 -1.32 0.00 0.00 176.35 174.70 2qtw s LEU 185 N 0.93 4.56 0.00 -0.68 1.02 -0.85 -0.67 118.68 122.99 2qtw s LEU 185 Ca -0.03 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.01 2qtw s LEU 185 Cb -0.15 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.11 2qtw s LEU 185 CO -0.02 -0.37 0.00 -0.67 0.02 0.00 0.00 176.35 175.31 2qtw n ASP 186 N 4.90 0.00 -3.93 2.29 -0.08 -0.44 -4.18 116.55 115.12 2qtw n ASP 186 Ca -0.12 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.86 2qtw n ASP 186 Cb 0.45 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.13 2qtw n ASP 186 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2qtw s THR 187 N -2.30 1.79 0.97 5.18 -4.23 -1.26 -0.52 115.64 115.27 2qtw s THR 187 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2qtw s THR 187 Cb 0.00 -2.75 0.17 0.00 1.34 0.00 0.00 72.50 71.26 2qtw s THR 187 CO 0.00 0.00 1.09 -0.94 -0.54 0.00 0.00 174.62 174.23 2qtw s SER 188 N -4.43 2.69 0.14 3.99 1.04 -1.26 -4.66 113.70 111.21 2qtw s SER 188 Ca 0.73 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.89 2qtw s SER 188 Cb -0.06 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2qtw s SER 188 CO 0.54 -3.16 -0.14 0.27 0.98 0.00 0.00 173.24 171.74 2qtw s ILE 189 N -2.74 1.39 -0.94 -1.02 -4.36 -1.26 -4.21 121.20 108.05 2qtw s ILE 189 Ca 0.65 -1.86 -0.19 0.00 -0.26 0.00 0.00 60.65 59.00 2qtw s ILE 189 Cb -0.21 -1.68 0.13 0.00 1.25 0.00 0.00 42.46 41.96 2qtw s ILE 189 CO 0.59 -0.50 1.14 -1.58 0.24 0.00 0.00 174.94 174.83 2qtw s GLN 190 N -3.01 3.62 0.13 0.37 0.74 -1.26 -4.87 119.66 115.37 2qtw s GLN 190 Ca 0.13 -1.79 0.21 0.00 0.05 0.00 0.00 55.36 53.96 2qtw s GLN 190 Cb -0.03 -4.92 0.86 0.00 1.10 0.00 0.00 33.01 30.02 2qtw s GLN 190 CO 0.03 -1.77 1.66 -1.13 -0.55 0.00 0.00 175.29 173.53 2qtw n SER 191 N 6.51 0.37 -0.59 6.67 3.41 -1.26 -2.32 113.62 126.41 2qtw n SER 191 Ca 0.24 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 2qtw n SER 191 Cb 0.49 -0.66 0.42 0.00 -0.26 0.00 0.00 64.21 64.20 2qtw n SER 191 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qtw n ASP 192 N -1.89 1.85 -4.70 4.04 8.00 -1.26 -3.35 116.55 119.23 2qtw n ASP 192 Ca 0.04 -1.60 -0.40 0.00 0.71 0.00 0.00 54.79 53.54 2qtw n ASP 192 Cb 0.25 0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 2qtw n ASP 192 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2qtw n HIS 193 N 0.43 1.99 0.35 1.24 -0.00 -0.98 -4.59 115.22 113.65 2qtw n HIS 193 Ca 0.18 0.47 0.14 0.00 0.46 0.00 0.00 57.72 58.97 2qtw n HIS 193 Cb 0.41 -2.34 0.48 0.00 -0.12 0.00 0.00 29.99 28.43 2qtw n HIS 193 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2qtw h ARG 194 N 1.68 0.00 -0.09 1.57 2.47 -1.39 0.67 114.38 119.29 2qtw h ARG 194 Ca -0.49 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.18 2qtw h ARG 194 Cb 1.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 2qtw h ARG 194 CO 0.58 0.00 -0.18 0.93 0.56 0.00 0.00 179.97 181.86 2qtw h GLU 195 N 0.00 0.14 0.00 0.04 4.39 -1.90 -3.38 114.58 113.87 2qtw h GLU 195 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qtw h GLU 195 Cb 0.62 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2qtw h GLU 195 CO 0.00 0.32 -0.44 0.44 -1.16 0.00 0.00 179.01 178.18 2qtw n ILE 196 N -4.26 0.00 -0.98 3.13 -5.35 -0.83 0.03 119.36 111.10 2qtw n ILE 196 Ca -0.01 -0.07 -0.38 0.00 -0.27 0.00 0.00 62.75 62.01 2qtw n ILE 196 Cb 0.28 0.46 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 2qtw n ILE 196 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2qtw n GLU 197 N -0.79 0.00 -0.56 6.28 2.13 0.23 0.10 120.64 128.02 2qtw n GLU 197 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2qtw n GLU 197 Cb 0.00 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2qtw n GLU 197 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qtw n GLY 198 N 1.74 1.58 0.02 8.31 0.00 -1.26 -4.76 105.19 110.81 2qtw n GLY 198 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qtw n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtw n ARG 199 N -2.00 1.70 -3.78 1.61 5.12 0.12 -4.95 116.66 114.48 2qtw n ARG 199 Ca 0.00 -0.03 -0.36 0.00 -1.93 0.00 0.00 57.85 55.53 2qtw n ARG 199 Cb 0.00 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.01 2qtw n ARG 199 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qtw s VAL 200 N -2.33 4.98 -0.26 1.55 1.01 -1.02 -0.95 120.40 123.37 2qtw s VAL 200 Ca -0.03 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2qtw s VAL 200 Cb 0.03 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2qtw s VAL 200 CO 0.30 0.37 0.23 -0.32 0.00 0.00 0.00 175.10 175.68 2qtw s MET 201 N 1.02 4.02 -0.22 2.72 1.75 0.68 -4.95 119.30 124.31 2qtw s MET 201 Ca 0.06 -0.20 -0.29 0.00 -1.25 0.00 0.00 55.69 54.01 2qtw s MET 201 Cb -0.14 -3.61 0.01 0.00 2.84 0.00 0.00 34.83 33.93 2qtw s MET 201 CO 0.04 -0.11 1.02 0.08 -0.65 0.00 0.00 175.02 175.40 2qtw s VAL 202 N 1.55 4.70 -0.07 10.11 1.01 -1.26 -0.74 120.40 135.69 2qtw s VAL 202 Ca 0.09 1.99 0.20 0.00 0.00 0.00 0.00 61.98 64.27 2qtw s VAL 202 Cb -0.15 -4.29 0.18 0.00 0.00 0.00 0.00 36.38 32.12 2qtw s VAL 202 CO 0.09 -0.16 1.64 0.71 0.00 0.00 0.00 175.10 177.37 2qtw h THR 203 N 5.43 0.59 -0.49 3.92 1.35 -1.61 -3.47 112.91 118.63 2qtw h THR 203 Ca -0.20 -1.55 -0.21 0.00 -0.55 0.00 0.00 66.41 63.90 2qtw h THR 203 Cb 1.07 2.07 -0.08 0.00 -1.73 0.00 0.00 68.15 69.48 2qtw h THR 203 CO 0.96 0.30 -0.19 0.47 -0.25 0.00 0.00 175.52 176.81 2qtw n ASP 204 N -3.27 -5.49 -4.73 5.36 8.00 -1.26 -4.99 116.55 110.17 2qtw n ASP 204 Ca 0.01 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 2qtw n ASP 204 Cb 0.57 -3.90 -0.03 0.00 -0.02 0.00 0.00 41.12 37.74 2qtw n ASP 204 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qtw s PHE 205 N -1.97 2.99 -0.10 1.24 5.36 -1.26 -4.97 117.98 119.26 2qtw s PHE 205 Ca 0.00 0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 56.60 2qtw s PHE 205 Cb 0.00 -3.96 0.05 0.00 -0.34 0.00 0.00 43.02 38.77 2qtw s PHE 205 CO 0.00 -3.44 0.23 -2.00 -1.46 0.00 0.00 175.22 168.55 2qtw s GLU 206 N 0.66 0.16 -0.31 10.12 2.12 -1.26 -1.23 118.70 128.96 2qtw s GLU 206 Ca 0.68 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.56 2qtw s GLU 206 Cb -0.45 -0.13 0.14 0.00 0.26 0.00 0.00 34.13 33.95 2qtw s GLU 206 CO 0.36 -0.20 0.30 1.21 -0.54 0.00 0.00 175.26 176.38 2qtw s ASN 207 N 1.58 1.74 0.04 -1.70 3.84 -0.18 -5.01 114.94 115.25 2qtw s ASN 207 Ca -0.06 -1.06 0.02 0.00 0.21 0.00 0.00 52.86 51.98 2qtw s ASN 207 Cb -0.11 0.42 -0.02 0.00 -0.55 0.00 0.00 41.25 40.99 2qtw s ASN 207 CO -0.08 -0.36 -0.08 0.68 -2.79 0.00 0.00 177.10 174.47 2qtw s VAL 208 N 2.06 0.56 0.68 -5.21 -7.23 -1.26 -4.40 120.40 105.60 2qtw s VAL 208 Ca 0.12 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 2qtw s VAL 208 Cb -0.15 -0.61 -0.00 0.00 0.56 0.00 0.00 36.38 36.18 2qtw s VAL 208 CO -0.25 -0.32 1.05 -2.16 -0.31 0.00 0.00 175.10 173.12 2qtw s PRO 209 N -1.43 3.10 0.61 4.82 0.04 -1.26 -5.00 135.00 135.88 2qtw s PRO 209 Ca -0.08 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.64 2qtw s PRO 209 Cb -0.09 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2qtw s PRO 209 CO 0.00 -0.96 1.19 -1.83 0.04 0.00 0.00 177.00 175.44 2qtw s GLU 210 N -5.10 2.92 0.66 4.56 -1.05 -1.26 -4.75 118.70 114.67 2qtw s GLU 210 Ca 0.57 1.75 -0.17 0.00 -0.15 0.00 0.00 54.97 56.98 2qtw s GLU 210 Cb -0.13 -1.93 -0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2qtw s GLU 210 CO 0.55 -1.23 1.19 -1.21 0.95 0.00 0.00 175.26 175.51 2qtw s GLU 211 N -3.45 2.62 0.00 -4.83 8.01 -1.26 -5.08 118.70 114.71 2qtw s GLU 211 Ca 0.76 1.73 0.00 0.00 0.01 0.00 0.00 54.97 57.46 2qtw s GLU 211 Cb -0.29 -1.90 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 2qtw s GLU 211 CO 0.34 -1.45 0.34 -0.40 0.01 0.00 0.00 175.26 174.10 2qtw n ASP 212 N -2.16 -0.24 -0.13 -0.19 5.75 -1.26 -5.16 116.55 113.15 2qtw n ASP 212 Ca 0.13 -0.68 -0.24 0.00 -0.01 0.00 0.00 54.79 53.99 2qtw n ASP 212 Cb 0.50 0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.56 2qtw n ASP 212 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qtw n ALA 220 N 0.00 1.36 -0.22 2.12 0.00 -1.26 -5.14 120.51 117.37 2qtw n ALA 220 Ca -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 53.44 52.33 2qtw n ALA 220 Cb 0.35 0.08 0.12 0.00 0.00 0.00 0.00 19.45 20.00 2qtw n ALA 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qtw h SER 221 N -0.60 0.28 -0.14 0.00 0.87 -1.95 -2.49 113.55 109.52 2qtw h SER 221 Ca -0.63 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 59.90 2qtw h SER 221 Cb 1.68 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2qtw h SER 221 CO -0.29 0.16 -0.36 0.50 -0.53 0.00 0.00 176.83 176.30 2qtw h LYS 222 N 0.45 0.49 -1.00 2.24 3.64 -1.96 -3.07 116.57 117.37 2qtw h LYS 222 Ca 0.33 -0.34 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 2qtw h LYS 222 Cb 0.41 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 2qtw h LYS 222 CO -0.31 0.96 0.62 0.00 -2.27 0.00 0.00 179.45 178.45 2qtw n ASP 224 N -4.68 4.15 0.11 0.00 5.68 -0.95 -4.16 116.55 116.71 2qtw n ASP 224 Ca 0.21 -2.92 -0.13 0.00 -0.50 0.00 0.00 54.79 51.44 2qtw n ASP 224 Cb 0.46 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.81 2qtw n ASP 224 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2qtw h SER 225 N 2.24 -0.21 0.25 -1.12 0.87 -1.39 -1.81 113.55 112.37 2qtw h SER 225 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2qtw h SER 225 Cb 1.49 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2qtw h SER 225 CO 0.25 0.00 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.70 2qtw h HIS 226 N -0.43 -0.31 -0.54 2.24 -0.00 -1.82 -2.21 115.15 112.09 2qtw h HIS 226 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2qtw h HIS 226 Cb 0.33 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 2qtw h HIS 226 CO -0.01 -0.01 0.34 0.78 -0.00 0.00 0.00 177.93 179.02 2qtw h GLY 227 N -0.60 0.77 1.00 5.26 0.00 -1.74 -2.21 103.07 105.55 2qtw h GLY 227 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2qtw h GLY 227 CO 0.06 0.30 0.38 -0.84 0.00 0.00 0.00 176.54 176.43 2qtw h THR 228 N 0.72 1.20 -0.58 4.70 2.02 -1.31 -0.66 112.91 119.00 2qtw h THR 228 Ca 0.19 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2qtw h THR 228 Cb -0.04 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2qtw h THR 228 CO -0.04 0.21 0.36 -0.74 0.37 0.00 0.00 175.52 175.67 2qtw h HIS 229 N 0.88 0.76 -0.24 3.16 2.76 -1.09 -2.35 115.15 119.03 2qtw h HIS 229 Ca 0.23 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.22 2qtw h HIS 229 Cb 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.71 2qtw h HIS 229 CO -0.01 0.52 -0.59 -0.07 -1.30 0.00 0.00 177.93 176.48 2qtw h LEU 230 N 0.79 0.88 -1.30 0.26 3.38 -1.00 0.54 115.31 118.86 2qtw h LEU 230 Ca 0.21 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.77 2qtw h LEU 230 Cb -0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 2qtw h LEU 230 CO -0.04 1.27 0.53 0.00 0.09 0.00 0.00 178.44 180.29 2qtw h ALA 231 N 0.74 1.69 -0.27 1.53 0.00 -1.06 -0.05 119.26 121.84 2qtw h ALA 231 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2qtw h ALA 231 Cb 1.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qtw h ALA 231 CO 0.12 0.16 -0.48 0.78 0.00 0.00 0.00 179.25 179.83 2qtw h GLY 232 N 0.81 0.88 1.01 0.00 0.00 -0.84 0.13 103.07 105.05 2qtw h GLY 232 Ca 0.37 -1.02 0.01 0.00 0.00 0.00 0.00 47.33 46.69 2qtw h GLY 232 CO -0.14 0.91 0.58 -2.08 0.00 0.00 0.00 176.54 175.82 2qtw h VAL 233 N 0.56 1.23 0.02 4.60 2.07 -0.40 0.57 116.25 124.90 2qtw h VAL 233 Ca 0.02 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2qtw h VAL 233 Cb 1.09 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2qtw h VAL 233 CO 0.11 0.22 -0.01 0.58 0.02 0.00 0.00 177.57 178.49 2qtw h VAL 234 N 1.19 1.40 0.00 2.57 2.07 -0.83 0.95 116.25 123.61 2qtw h VAL 234 Ca 0.32 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2qtw h VAL 234 Cb -0.14 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2qtw h VAL 234 CO -0.07 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.32 2qtw n SER 235 N -4.82 0.73 -4.68 0.57 3.41 0.43 -0.61 113.62 108.65 2qtw n SER 235 Ca -0.09 -1.19 -0.44 0.00 -0.26 0.00 0.00 58.87 56.90 2qtw n SER 235 Cb 0.29 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 2qtw n SER 235 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qtw n GLY 236 N -0.09 0.80 0.24 5.00 0.00 0.19 -4.45 105.19 106.87 2qtw n GLY 236 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 46.02 46.49 2qtw n GLY 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qtw h ARG 237 N 3.99 0.06 0.00 1.61 2.43 -0.65 -1.24 114.38 120.58 2qtw h ARG 237 Ca -0.45 -0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.32 2qtw h ARG 237 Cb 1.27 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 2qtw h ARG 237 CO 0.74 0.04 -2.46 -0.25 -1.51 0.00 0.00 179.97 176.53 2qtw n ASP 238 N -5.35 2.01 -0.16 -3.80 8.00 -1.26 -4.68 116.55 111.30 2qtw n ASP 238 Ca 0.09 -0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.54 2qtw n ASP 238 Cb 0.36 -0.43 0.10 0.00 -0.02 0.00 0.00 41.12 41.12 2qtw n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qtw n ALA 239 N -3.32 2.22 -2.15 2.24 0.00 -1.24 -5.04 120.51 113.23 2qtw n ALA 239 Ca -0.46 -1.84 -0.25 0.00 0.00 0.00 0.00 53.44 50.89 2qtw n ALA 239 Cb 0.97 -0.27 0.03 0.00 0.00 0.00 0.00 19.45 20.18 2qtw n ALA 239 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qtw s GLY 240 N -1.90 1.61 -0.13 0.00 0.00 -0.47 -4.64 107.32 101.79 2qtw s GLY 240 Ca 0.20 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 2qtw s GLY 240 CO 0.03 -0.62 0.59 -2.08 0.00 0.00 0.00 173.10 171.02 2qtw h VAL 241 N 0.01 1.29 -2.76 1.40 2.07 -0.55 -3.39 116.25 114.32 2qtw h VAL 241 Ca -0.45 -2.36 -0.69 0.00 0.82 0.00 0.00 66.70 64.02 2qtw h VAL 241 Cb 1.26 2.86 -0.36 0.00 -1.52 0.00 0.00 31.29 33.53 2qtw h VAL 241 CO 0.59 0.59 -0.08 0.00 0.02 0.00 0.00 177.57 178.69 2qtw n ALA 242 N -2.93 4.26 -0.35 1.67 0.00 0.22 -4.83 120.51 118.55 2qtw n ALA 242 Ca -0.21 -4.72 0.07 0.00 0.00 0.00 0.00 53.44 48.58 2qtw n ALA 242 Cb 0.72 -1.53 0.23 0.00 0.00 0.00 0.00 19.45 18.88 2qtw n ALA 242 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qtw h LYS 243 N 5.10 0.90 0.00 0.00 1.57 -1.76 0.47 116.57 122.85 2qtw h LYS 243 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2qtw h LYS 243 Cb 0.70 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2qtw h LYS 243 CO 0.97 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 180.85 2qtw n GLY 244 N -1.34 0.00 3.84 3.86 0.00 -0.94 -4.58 105.19 106.03 2qtw n GLY 244 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2qtw n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtw s ALA 245 N -0.26 2.82 0.12 4.61 0.00 0.17 -4.92 121.76 124.30 2qtw s ALA 245 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 2qtw s ALA 245 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2qtw s ALA 245 CO 0.00 -1.06 0.80 -1.12 0.00 0.00 0.00 175.76 174.39 2qtw s SER 246 N -4.00 7.35 0.12 0.00 0.01 -1.26 -4.83 113.70 111.09 2qtw s SER 246 Ca 0.57 1.61 0.07 0.00 1.31 0.00 0.00 55.95 59.51 2qtw s SER 246 Cb -0.13 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2qtw s SER 246 CO 0.54 0.11 -0.17 -0.04 0.41 0.00 0.00 173.24 174.10 2qtw s MET 247 N -0.65 1.08 -0.04 12.44 -1.94 -0.13 -1.57 119.30 128.50 2qtw s MET 247 Ca 0.38 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2qtw s MET 247 Cb -0.22 -1.10 -0.00 0.00 2.01 0.00 0.00 34.83 35.51 2qtw s MET 247 CO 0.26 0.23 -0.14 1.03 -0.01 0.00 0.00 175.02 176.39 2qtw s ARG 248 N -2.39 1.47 -0.06 2.03 0.52 -0.68 -0.23 118.95 119.61 2qtw s ARG 248 Ca 0.08 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 2qtw s ARG 248 Cb -0.07 -1.30 -0.02 0.00 0.52 0.00 0.00 34.95 34.08 2qtw s ARG 248 CO 0.04 0.19 -0.17 -1.54 0.02 0.00 0.00 175.30 173.84 2qtw s SER 249 N 0.11 3.80 -0.00 0.23 1.04 0.08 -0.49 113.70 118.46 2qtw s SER 249 Ca -0.04 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.19 2qtw s SER 249 Cb -0.10 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.12 2qtw s SER 249 CO 0.02 0.31 -0.25 -0.76 0.98 0.00 0.00 173.24 173.54 2qtw s LEU 250 N -0.52 2.16 -0.42 2.42 1.02 0.16 -1.41 118.68 122.09 2qtw s LEU 250 Ca 0.07 -0.48 -0.15 0.00 0.02 0.00 0.00 54.13 53.59 2qtw s LEU 250 Cb -0.11 -1.35 0.03 0.00 0.02 0.00 0.00 46.19 44.77 2qtw s LEU 250 CO 0.01 0.30 0.33 -0.60 0.02 0.00 0.00 176.35 176.41 2qtw s ARG 251 N -0.82 2.99 0.00 1.70 3.52 -0.37 -1.32 118.95 124.65 2qtw s ARG 251 Ca 0.11 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2qtw s ARG 251 Cb -0.10 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.30 2qtw s ARG 251 CO 0.00 -0.79 0.56 1.33 -0.81 0.00 0.00 175.30 175.59 2qtw n VAL 252 N 5.20 0.21 -5.23 7.11 0.24 0.32 -1.01 118.33 125.17 2qtw n VAL 252 Ca -0.11 -0.54 -0.31 0.00 -2.04 0.00 0.00 64.34 61.34 2qtw n VAL 252 Cb 0.47 1.00 -0.17 0.00 -1.47 0.00 0.00 33.84 33.67 2qtw n VAL 252 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qtw s LEU 253 N -0.21 2.07 0.00 1.34 1.43 -0.43 -4.04 118.68 118.84 2qtw s LEU 253 Ca 0.00 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 2qtw s LEU 253 Cb 0.00 -1.36 0.19 0.00 0.03 0.00 0.00 46.19 45.04 2qtw s LEU 253 CO 0.00 0.21 0.89 -0.46 0.23 0.00 0.00 176.35 177.22 2qtw n ASN 254 N 3.15 -0.71 0.25 2.29 0.23 0.54 -4.15 115.26 116.87 2qtw n ASN 254 Ca -0.18 -1.19 0.17 0.00 -0.53 0.00 0.00 54.58 52.85 2qtw n ASN 254 Cb 0.52 -0.73 0.82 0.00 -2.08 0.00 0.00 39.78 38.32 2qtw n ASN 254 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qtw n GLN 256 N -2.75 2.27 -1.43 0.00 6.02 -1.26 -4.44 117.38 115.79 2qtw n GLN 256 Ca -0.01 -1.92 -0.04 0.00 -0.01 0.00 0.00 57.00 55.03 2qtw n GLN 256 Cb 0.15 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 2qtw n GLN 256 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qtw n GLY 257 N 1.39 0.52 3.49 1.08 0.00 0.21 -5.04 105.19 106.84 2qtw n GLY 257 Ca 0.18 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2qtw n GLY 257 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qtw s LYS 258 N -2.94 2.97 0.02 1.61 2.20 -1.26 -4.77 119.74 117.57 2qtw s LYS 258 Ca 0.00 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2qtw s LYS 258 Cb 0.00 -2.59 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 2qtw s LYS 258 CO 0.00 0.48 0.01 0.41 -0.36 0.00 0.00 175.35 175.89 2qtw n GLY 259 N 2.76 4.03 3.32 5.54 0.00 -1.26 -0.34 105.19 119.24 2qtw n GLY 259 Ca -0.18 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 2qtw n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qtw s THR 260 N -1.78 1.69 0.17 2.61 -4.23 -1.26 -4.86 115.64 107.97 2qtw s THR 260 Ca 0.02 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 2qtw s THR 260 Cb 0.00 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 72.03 2qtw s THR 260 CO 0.01 -0.45 1.81 0.58 -0.54 0.00 0.00 174.62 176.03 2qtw h VAL 261 N 3.02 1.15 -0.55 2.29 2.07 -1.99 -1.41 116.25 120.83 2qtw h VAL 261 Ca -0.40 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2qtw h VAL 261 Cb 1.21 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2qtw h VAL 261 CO 0.55 0.15 0.33 0.77 0.02 0.00 0.00 177.57 179.39 2qtw h SER 262 N 0.68 0.66 -0.72 0.57 4.64 -1.99 -0.14 113.55 117.24 2qtw h SER 262 Ca 0.18 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 2qtw h SER 262 Cb -0.03 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 2qtw h SER 262 CO -0.04 0.52 0.41 1.23 -0.87 0.00 0.00 176.83 178.09 2qtw h GLY 263 N 0.73 1.08 0.89 -0.77 0.00 -1.81 -0.14 103.07 103.05 2qtw h GLY 263 Ca 0.20 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2qtw h GLY 263 CO -0.04 0.45 -0.03 -0.84 0.00 0.00 0.00 176.54 176.08 2qtw h THR 264 N 1.02 1.27 -0.44 4.70 2.02 -0.70 0.16 112.91 120.93 2qtw h THR 264 Ca 0.26 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.47 2qtw h THR 264 Cb 0.00 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 2qtw h THR 264 CO -0.04 0.33 0.19 -0.07 0.37 0.00 0.00 175.52 176.29 2qtw h LEU 265 N 0.34 0.25 -1.03 2.58 3.38 -0.69 0.39 115.31 120.54 2qtw h LEU 265 Ca 0.08 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2qtw h LEU 265 Cb 0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2qtw h LEU 265 CO 0.02 0.18 0.25 0.40 0.09 0.00 0.00 178.44 179.38 2qtw h ILE 266 N 0.39 1.23 -0.00 1.22 2.04 -0.80 0.09 117.51 121.68 2qtw h ILE 266 Ca 0.20 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2qtw h ILE 266 Cb 0.14 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2qtw h ILE 266 CO -0.17 0.29 0.00 1.23 0.00 0.00 0.00 178.15 179.50 2qtw h GLY 267 N 1.02 0.00 0.88 5.37 0.00 -0.41 0.79 103.07 110.73 2qtw h GLY 267 Ca 0.22 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.58 2qtw h GLY 267 CO -0.02 0.00 0.59 1.41 0.00 0.00 0.00 176.54 178.53 2qtw h LEU 268 N -0.17 0.99 -0.70 3.11 3.38 -0.68 -1.51 115.31 119.73 2qtw h LEU 268 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2qtw h LEU 268 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qtw h LEU 268 CO -0.00 0.68 0.25 -0.08 0.09 0.00 0.00 178.44 179.38 2qtw h GLU 269 N 1.16 1.07 -0.81 1.13 4.81 -0.76 -2.34 114.58 118.83 2qtw h GLU 269 Ca 0.36 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2qtw h GLU 269 Cb 0.00 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 2qtw h GLU 269 CO -0.12 0.90 0.52 0.35 -0.73 0.00 0.00 179.01 179.93 2qtw h PHE 270 N 1.01 0.97 -0.51 0.92 3.57 0.04 -0.06 116.94 122.88 2qtw h PHE 270 Ca 0.23 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2qtw h PHE 270 Cb 0.26 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2qtw h PHE 270 CO 0.02 0.55 0.32 0.82 -2.23 0.00 0.00 178.31 177.79 2qtw h ILE 271 N 1.00 1.09 -0.50 1.41 2.04 -0.93 -0.08 117.51 121.55 2qtw h ILE 271 Ca 0.33 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 2qtw h ILE 271 Cb 0.03 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2qtw h ILE 271 CO -0.12 0.12 0.13 -0.09 0.00 0.00 0.00 178.15 178.19 2qtw h ARG 272 N 0.65 0.80 -0.61 2.37 9.65 -0.86 -1.31 114.38 125.06 2qtw h ARG 272 Ca 0.20 -0.18 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 2qtw h ARG 272 Cb -0.03 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 2qtw h ARG 272 CO -0.06 0.76 0.23 0.87 2.80 0.00 0.00 179.97 184.57 2qtw h LYS 273 N 0.69 0.92 -0.64 0.20 1.57 -0.89 -1.72 116.57 116.70 2qtw h LYS 273 Ca 0.16 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2qtw h LYS 273 Cb 0.31 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2qtw h LYS 273 CO -0.00 0.79 0.38 0.77 -0.57 0.00 0.00 179.45 180.82 2qtw h SER 274 N 0.85 0.61 -0.54 0.86 0.02 -0.80 -2.02 113.55 112.53 2qtw h SER 274 Ca 0.20 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2qtw h SER 274 Cb 0.22 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2qtw h SER 274 CO -0.01 0.41 0.28 -0.61 -1.14 0.00 0.00 176.83 175.76 2qtw h GLN 275 N 0.74 0.77 -0.52 3.45 4.15 -0.91 -0.79 115.11 122.00 2qtw h GLN 275 Ca 0.26 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 2qtw h GLN 275 Cb 0.07 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 2qtw h GLN 275 CO -0.12 0.61 0.21 -0.07 -1.93 0.00 0.00 178.83 177.53 2qtw h LEU 276 N 0.72 0.67 0.15 -2.39 3.38 -1.01 -1.62 115.31 115.22 2qtw h LEU 276 Ca 0.19 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.79 2qtw h LEU 276 Cb 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qtw h LEU 276 CO -0.03 0.61 -1.35 0.58 0.09 0.00 0.00 178.44 178.34 2qtw h VAL 277 N 0.74 1.39 -2.20 1.22 2.07 -1.13 -3.41 116.25 114.92 2qtw h VAL 277 Ca 0.18 -2.95 -0.53 0.00 0.82 0.00 0.00 66.70 64.22 2qtw h VAL 277 Cb 0.14 2.93 -0.35 0.00 -1.52 0.00 0.00 31.29 32.49 2qtw h VAL 277 CO -0.02 0.87 -0.90 0.00 0.02 0.00 0.00 177.57 177.53 2qtw s GLN 278 N -2.64 0.89 0.31 1.57 0.00 -0.32 -5.11 119.66 114.36 2qtw s GLN 278 Ca -0.06 -1.89 -0.29 0.00 -0.00 0.00 0.00 55.36 53.12 2qtw s GLN 278 Cb 0.06 -1.22 -0.11 0.00 0.00 0.00 0.00 33.01 31.75 2qtw s GLN 278 CO 0.89 -1.36 1.49 -2.14 0.00 0.00 0.00 175.29 174.17 2qtw s PRO 279 N 0.27 4.18 0.00 9.60 0.02 -0.62 -4.59 135.00 143.86 2qtw s PRO 279 Ca 0.31 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.81 2qtw s PRO 279 Cb 0.01 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2qtw s PRO 279 CO -0.16 -0.50 0.00 1.33 -0.33 0.00 0.00 177.00 177.33 2qtw n VAL 280 N 1.50 0.00 -0.79 3.83 0.24 -1.26 -5.10 118.33 116.74 2qtw n VAL 280 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2qtw n VAL 280 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 2qtw n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qtw n GLY 281 N 3.28 1.58 3.67 7.63 0.00 -1.26 -5.02 105.19 115.07 2qtw n GLY 281 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2qtw n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qtw n PRO 282 N 0.00 1.85 -5.20 1.61 -0.02 -1.26 -4.84 135.00 127.14 2qtw n PRO 282 Ca 0.00 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 2qtw n PRO 282 Cb 0.00 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 2qtw n PRO 282 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qtw s LEU 283 N -0.76 2.18 -0.11 2.45 1.02 -1.26 -2.26 118.68 119.93 2qtw s LEU 283 Ca 0.58 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.28 2qtw s LEU 283 Cb -0.58 -1.40 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 2qtw s LEU 283 CO 0.61 0.26 -0.17 -0.69 0.02 0.00 0.00 176.35 176.37 2qtw s VAL 284 N -0.24 2.67 -0.18 -1.59 1.01 -0.25 -1.00 120.40 120.82 2qtw s VAL 284 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2qtw s VAL 284 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2qtw s VAL 284 CO 0.03 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.83 2qtw s VAL 285 N 0.25 2.53 -0.24 2.92 1.01 0.13 0.56 120.40 127.57 2qtw s VAL 285 Ca -0.12 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2qtw s VAL 285 Cb -0.16 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 2qtw s VAL 285 CO 0.06 0.50 0.17 -0.22 0.00 0.00 0.00 175.10 175.62 2qtw s LEU 286 N 1.22 4.11 -0.64 3.92 2.96 0.11 -0.84 118.68 129.53 2qtw s LEU 286 Ca 0.03 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2qtw s LEU 286 Cb -0.14 -2.12 0.16 0.00 0.50 0.00 0.00 46.19 44.58 2qtw s LEU 286 CO -0.07 0.05 0.42 -0.76 -1.32 0.00 0.00 176.35 174.67 2qtw s LEU 287 N 1.11 4.71 -0.60 -0.68 1.43 -0.08 -2.00 118.68 122.57 2qtw s LEU 287 Ca 0.08 -3.45 -0.06 0.00 -1.03 0.00 0.00 54.13 49.67 2qtw s LEU 287 Cb -0.14 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2qtw s LEU 287 CO 0.05 -0.17 3.08 -0.81 0.23 0.00 0.00 176.35 178.73 2qtw n PRO 288 N 2.55 2.78 -3.60 1.29 -0.04 -1.26 -2.34 135.00 134.37 2qtw n PRO 288 Ca 0.13 -1.96 -0.11 0.00 -0.04 0.00 0.00 63.50 61.52 2qtw n PRO 288 Cb 0.34 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 2qtw n PRO 288 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2qtw s LEU 289 N -0.94 0.22 -0.06 1.53 0.05 -1.26 -4.79 118.68 113.43 2qtw s LEU 289 Ca 0.63 -0.28 -0.23 0.00 0.05 0.00 0.00 54.13 54.31 2qtw s LEU 289 Cb 0.30 1.98 0.05 0.00 -2.05 0.00 0.00 46.19 46.47 2qtw s LEU 289 CO -0.09 -0.88 0.52 0.00 -0.55 0.00 0.00 176.35 175.34 2qtw s ALA 290 N -3.80 -1.32 0.00 1.48 0.00 -1.26 -4.38 121.76 112.48 2qtw s ALA 290 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2qtw s ALA 290 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2qtw s ALA 290 CO -0.12 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2qtw n GLY 291 N 1.32 4.14 3.57 0.00 0.00 0.19 -4.98 105.19 109.43 2qtw n GLY 291 Ca -0.19 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 2qtw n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qtw s GLY 292 N -0.96 1.55 0.11 -0.02 0.00 -1.26 -1.06 107.32 105.67 2qtw s GLY 292 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 44.72 43.63 2qtw s GLY 292 CO 0.00 0.08 1.57 2.98 0.00 0.00 0.00 173.10 177.74 2qtw n TYR 293 N -4.74 2.14 -3.87 1.90 9.36 -0.19 -2.51 117.16 119.25 2qtw n TYR 293 Ca 0.10 0.31 -0.26 0.00 3.32 0.00 0.00 57.90 61.37 2qtw n TYR 293 Cb 0.59 -2.52 -0.17 0.00 -0.63 0.00 0.00 39.34 36.61 2qtw n TYR 293 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2qtw s SER 294 N 1.27 2.15 0.11 2.98 0.15 -1.26 -4.88 113.70 114.22 2qtw s SER 294 Ca 0.82 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.96 2qtw s SER 294 Cb -0.74 -0.76 -0.09 0.00 -1.71 0.00 0.00 66.02 62.72 2qtw s SER 294 CO 0.42 -0.15 1.75 -0.09 1.20 0.00 0.00 173.24 176.37 2qtw h ARG 295 N 8.20 0.21 -0.33 5.44 2.43 -1.99 -0.73 114.38 127.62 2qtw h ARG 295 Ca -0.27 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 2qtw h ARG 295 Cb 1.13 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2qtw h ARG 295 CO 0.38 0.17 -0.38 -0.24 -1.51 0.00 0.00 179.97 178.38 2qtw h VAL 296 N 0.20 1.28 -0.27 0.20 3.04 -1.98 0.13 116.25 118.85 2qtw h VAL 296 Ca 0.06 -1.55 -0.07 0.00 -1.01 0.00 0.00 66.70 64.13 2qtw h VAL 296 Cb 0.00 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2qtw h VAL 296 CO -0.01 0.51 -0.10 0.25 -1.01 0.00 0.00 177.57 177.21 2qtw h LEU 297 N 0.65 0.55 -1.23 3.16 5.85 -1.92 -0.12 115.31 122.25 2qtw h LEU 297 Ca 0.06 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2qtw h LEU 297 Cb 0.93 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2qtw h LEU 297 CO 0.09 0.82 0.54 0.78 -0.34 0.00 0.00 178.44 180.32 2qtw h ASN 298 N 0.28 0.87 -0.20 1.25 4.21 -0.94 -1.40 115.58 119.65 2qtw h ASN 298 Ca 0.06 -0.01 -0.13 0.00 1.21 0.00 0.00 56.30 57.43 2qtw h ASN 298 Cb 0.59 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2qtw h ASN 298 CO 0.03 0.60 -0.34 0.00 -1.29 0.00 0.00 177.43 176.43 2qtw h ALA 299 N 1.52 0.80 -0.42 -0.83 0.00 -0.18 -1.13 119.26 119.02 2qtw h ALA 299 Ca 0.32 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2qtw h ALA 299 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qtw h ALA 299 CO -0.09 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 2qtw h ALA 300 N 1.02 0.58 -0.26 0.00 0.00 -0.56 -0.06 119.26 119.97 2qtw h ALA 300 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2qtw h ALA 300 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2qtw h ALA 300 CO 0.08 0.49 0.16 0.00 0.00 0.00 0.00 179.25 179.98 2qtw h GLN 302 N 0.33 0.60 -0.70 0.00 4.15 -1.01 0.31 115.11 118.81 2qtw h GLN 302 Ca 0.10 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 2qtw h GLN 302 Cb -0.02 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 2qtw h GLN 302 CO -0.04 0.40 0.23 -0.09 -1.93 0.00 0.00 178.83 177.41 2qtw h ARG 303 N 0.62 1.06 -0.11 1.69 9.65 -0.82 0.19 114.38 126.66 2qtw h ARG 303 Ca 0.20 -0.21 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 2qtw h ARG 303 Cb -0.01 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 2qtw h ARG 303 CO -0.07 0.90 -0.65 1.25 2.80 0.00 0.00 179.97 184.19 2qtw h LEU 304 N 1.03 0.50 -0.47 3.80 5.85 -0.48 -0.90 115.31 124.64 2qtw h LEU 304 Ca 0.23 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2qtw h LEU 304 Cb 0.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2qtw h LEU 304 CO -0.01 1.02 0.16 0.00 -0.34 0.00 0.00 178.44 179.26 2qtw h ALA 305 N 0.98 0.61 0.00 1.25 0.00 -0.02 -2.52 119.26 119.56 2qtw h ALA 305 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2qtw h ALA 305 Cb 1.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2qtw h ALA 305 CO 0.11 0.25 -0.17 0.00 0.00 0.00 0.00 179.25 179.44 2qtw h ARG 306 N 0.61 0.00 0.00 0.00 3.08 -0.29 0.73 114.38 118.51 2qtw h ARG 306 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2qtw h ARG 306 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2qtw h ARG 306 CO -0.01 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 2qtw n ALA 307 N -2.27 2.41 -0.32 0.04 0.00 -0.37 -4.89 120.51 115.11 2qtw n ALA 307 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qtw n ALA 307 Cb 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qtw n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qtw n GLY 308 N 0.75 0.89 3.76 0.00 0.00 0.25 -5.07 105.19 105.77 2qtw n GLY 308 Ca 0.17 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2qtw n GLY 308 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qtw s VAL 309 N -2.00 4.81 -0.11 1.61 1.01 -0.98 -4.69 120.40 120.05 2qtw s VAL 309 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 2qtw s VAL 309 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2qtw s VAL 309 CO 0.00 0.61 0.54 -0.69 0.00 0.00 0.00 175.10 175.55 2qtw s VAL 310 N -0.90 5.15 -0.10 2.92 1.01 -0.17 -4.08 120.40 124.23 2qtw s VAL 310 Ca 0.14 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.22 2qtw s VAL 310 Cb -0.12 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2qtw s VAL 310 CO 0.03 0.29 -0.17 -0.76 0.00 0.00 0.00 175.10 174.50 2qtw s LEU 311 N 0.76 2.53 -0.08 3.92 1.02 -1.26 0.22 118.68 125.80 2qtw s LEU 311 Ca 0.29 -0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.11 2qtw s LEU 311 Cb -0.16 -1.53 0.01 0.00 0.02 0.00 0.00 46.19 44.53 2qtw s LEU 311 CO 0.12 0.22 -0.18 -0.69 0.02 0.00 0.00 176.35 175.84 2qtw s VAL 312 N 0.02 1.55 0.15 -1.59 1.01 -0.02 -0.23 120.40 121.29 2qtw s VAL 312 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2qtw s VAL 312 Cb -0.15 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2qtw s VAL 312 CO 0.05 0.45 -0.06 0.28 0.00 0.00 0.00 175.10 175.81 2qtw s THR 313 N 0.49 0.98 0.24 3.92 -1.32 0.41 -0.90 115.64 119.46 2qtw s THR 313 Ca -0.16 -2.02 -0.30 0.00 -1.21 0.00 0.00 61.69 58.01 2qtw s THR 313 Cb -0.16 -1.93 -0.09 0.00 -1.51 0.00 0.00 72.50 68.81 2qtw s THR 313 CO 0.06 -0.67 1.13 0.00 -2.21 0.00 0.00 174.62 172.93 2qtw s ALA 314 N -3.45 3.41 0.52 11.08 0.00 -0.99 -1.27 121.76 131.06 2qtw s ALA 314 Ca 0.18 0.91 0.18 0.00 0.00 0.00 0.00 51.96 53.24 2qtw s ALA 314 Cb 0.04 -3.36 1.33 0.00 0.00 0.00 0.00 23.12 21.13 2qtw s ALA 314 CO 0.01 -0.24 2.14 0.00 0.00 0.00 0.00 175.76 177.68 2qtw h ALA 315 N 4.36 1.86 0.00 0.00 0.00 -1.10 -3.38 119.26 120.99 2qtw h ALA 315 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qtw h ALA 315 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qtw h ALA 315 CO 0.70 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2qtw n GLY 316 N -1.41 2.71 1.86 0.00 0.00 -1.26 -4.65 105.19 102.44 2qtw n GLY 316 Ca -0.03 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 2qtw n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qtw n ASN 317 N 0.00 4.51 -0.84 1.61 3.02 -1.26 -0.56 115.26 121.74 2qtw n ASN 317 Ca 0.00 -3.74 0.07 0.00 -0.03 0.00 0.00 54.58 50.88 2qtw n ASN 317 Cb 0.00 -0.73 0.20 0.00 -0.61 0.00 0.00 39.78 38.64 2qtw n ASN 317 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2qtw n PHE 318 N -1.02 0.62 -4.13 3.10 3.72 -0.51 -2.74 117.46 116.50 2qtw n PHE 318 Ca 0.49 -0.51 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 2qtw n PHE 318 Cb 1.09 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 39.56 2qtw n PHE 318 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2qtw n ARG 319 N 0.81 -1.41 -4.11 -1.08 0.63 0.10 -4.71 116.66 106.90 2qtw n ARG 319 Ca 0.15 0.19 -0.14 0.00 -0.92 0.00 0.00 57.85 57.14 2qtw n ARG 319 Cb 0.49 -3.64 -0.06 0.00 0.45 0.00 0.00 32.46 29.70 2qtw n ARG 319 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2qtw s ASP 320 N -4.14 0.66 -0.12 6.15 2.15 -1.26 -4.94 116.67 115.17 2qtw s ASP 320 Ca 0.14 -1.39 -0.29 0.00 0.43 0.00 0.00 52.55 51.44 2qtw s ASP 320 Cb -0.07 0.59 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 2qtw s ASP 320 CO 0.96 -1.16 1.34 -0.62 -0.17 0.00 0.00 175.17 175.52 2qtw s ASP 321 N -3.19 6.89 0.62 -0.34 -1.08 -1.26 -1.27 116.67 117.04 2qtw s ASP 321 Ca 0.32 1.84 0.39 0.00 -0.52 0.00 0.00 52.55 54.58 2qtw s ASP 321 Cb 0.01 -2.54 2.06 0.00 -1.46 0.00 0.00 42.92 40.99 2qtw s ASP 321 CO 0.17 -0.78 2.26 0.00 0.52 0.00 0.00 175.17 177.34 2qtw h ALA 322 N 8.37 1.09 0.00 3.66 0.00 -1.13 -1.85 119.26 129.40 2qtw h ALA 322 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qtw h ALA 322 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qtw h ALA 322 CO 0.95 0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.22 2qtw n LEU 324 N -1.89 2.03 -4.18 0.00 4.77 -0.69 -4.77 117.00 112.27 2qtw n LEU 324 Ca 0.01 -0.94 -0.15 0.00 -0.03 0.00 0.00 56.01 54.90 2qtw n LEU 324 Cb 0.11 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 2qtw n LEU 324 CO 0.11 0.47 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.90 2qtw s TYR 325 N -1.60 1.11 0.08 -1.77 2.02 -0.64 -1.02 117.35 115.53 2qtw s TYR 325 Ca 0.30 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2qtw s TYR 325 Cb 0.16 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 2qtw s TYR 325 CO 0.22 0.02 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.95 2qtw s SER 326 N -2.32 1.89 0.00 2.29 0.01 -0.23 -0.75 113.70 114.59 2qtw s SER 326 Ca 0.04 -0.66 0.20 0.00 1.31 0.00 0.00 55.95 56.84 2qtw s SER 326 Cb -0.04 -0.07 1.16 0.00 0.21 0.00 0.00 66.02 67.28 2qtw s SER 326 CO 0.01 -0.06 1.56 -0.81 0.41 0.00 0.00 173.24 174.35 2qtw n PRO 327 N 1.14 0.60 -0.30 12.44 -0.04 -1.26 -0.64 135.00 146.93 2qtw n PRO 327 Ca -0.20 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2qtw n PRO 327 Cb 0.54 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 2qtw n PRO 327 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qtw h ALA 328 N 3.21 1.09 0.00 0.55 0.00 -1.75 -1.12 119.26 121.25 2qtw h ALA 328 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qtw h ALA 328 Cb 0.01 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2qtw h ALA 328 CO 0.00 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 2qtw n SER 329 N -5.37 0.00 -4.65 0.00 3.41 0.07 -4.76 113.62 102.32 2qtw n SER 329 Ca 0.20 0.39 -0.43 0.00 -0.26 0.00 0.00 58.87 58.77 2qtw n SER 329 Cb 0.66 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2qtw n SER 329 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtw s ALA 330 N -2.91 3.55 0.44 7.33 0.00 -0.42 -4.91 121.76 124.83 2qtw s ALA 330 Ca 0.13 0.50 0.13 0.00 0.00 0.00 0.00 51.96 52.72 2qtw s ALA 330 Cb 0.14 -3.70 0.97 0.00 0.00 0.00 0.00 23.12 20.54 2qtw s ALA 330 CO 0.39 -1.42 1.99 -1.35 0.00 0.00 0.00 175.76 175.37 2qtw h PRO 331 N 8.99 0.05 0.00 0.00 0.11 -1.89 -1.78 132.00 137.48 2qtw h PRO 331 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qtw h PRO 331 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qtw h PRO 331 CO 0.98 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 179.37 2qtw n GLU 332 N -4.33 0.24 -3.58 1.05 -0.58 -1.26 -4.74 120.64 107.44 2qtw n GLU 332 Ca -0.02 0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.40 2qtw n GLU 332 Cb 0.24 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 2qtw n GLU 332 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2qtw s VAL 333 N -2.72 5.19 -0.42 2.62 1.01 -0.67 -4.64 120.40 120.78 2qtw s VAL 333 Ca 0.20 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2qtw s VAL 333 Cb 0.17 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.94 2qtw s VAL 333 CO 0.41 0.54 1.12 -0.63 0.00 0.00 0.00 175.10 176.54 2qtw s ILE 334 N -0.69 4.30 -0.20 2.22 1.01 0.68 -4.88 121.20 123.63 2qtw s ILE 334 Ca 0.21 1.39 -0.09 0.00 0.00 0.00 0.00 60.65 62.16 2qtw s ILE 334 Cb -0.15 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 2qtw s ILE 334 CO 0.09 -0.83 0.10 -0.89 0.00 0.00 0.00 174.94 173.42 2qtw s THR 335 N 4.20 5.02 -0.15 2.92 2.01 -1.26 -0.44 115.64 127.94 2qtw s THR 335 Ca 0.47 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.54 2qtw s THR 335 Cb -0.09 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.15 2qtw s THR 335 CO 0.26 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.75 2qtw s VAL 336 N 0.59 1.83 0.67 3.82 1.01 -0.40 -0.72 120.40 127.20 2qtw s VAL 336 Ca 0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2qtw s VAL 336 Cb -0.12 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.68 2qtw s VAL 336 CO 0.01 0.50 0.93 -0.83 0.00 0.00 0.00 175.10 175.71 2qtw s GLY 337 N 1.19 1.78 -0.10 4.51 0.00 -0.24 -0.61 107.32 113.84 2qtw s GLY 337 Ca 0.00 -1.47 0.03 0.00 0.00 0.00 0.00 44.72 43.28 2qtw s GLY 337 CO -0.08 -1.02 -0.19 0.00 0.00 0.00 0.00 173.10 171.81 2qtw s ALA 338 N -3.04 2.37 0.26 3.20 0.00 -1.26 -1.25 121.76 122.03 2qtw s ALA 338 Ca 0.63 -0.95 0.12 0.00 0.00 0.00 0.00 51.96 51.75 2qtw s ALA 338 Cb -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 2qtw s ALA 338 CO 0.43 0.31 -0.21 0.95 0.00 0.00 0.00 175.76 177.24 2qtw s THR 339 N 0.19 2.44 0.29 0.00 -4.23 -0.18 -1.59 115.64 112.56 2qtw s THR 339 Ca -0.12 -2.32 0.05 0.00 -1.18 0.00 0.00 61.69 58.12 2qtw s THR 339 Cb -0.16 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.47 2qtw s THR 339 CO 0.06 -0.34 0.39 -0.46 -0.54 0.00 0.00 174.62 173.74 2qtw n ASN 340 N -0.41 1.12 0.32 3.99 0.23 0.38 -0.75 115.26 120.14 2qtw n ASN 340 Ca -0.07 -1.79 0.20 0.00 -0.53 0.00 0.00 54.58 52.39 2qtw n ASN 340 Cb 0.59 -0.20 1.11 0.00 -2.08 0.00 0.00 39.78 39.20 2qtw n ASN 340 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qtw h ALA 341 N 0.33 1.20 -0.49 -2.53 0.00 -1.89 0.13 119.26 116.01 2qtw h ALA 341 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qtw h ALA 341 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2qtw h ALA 341 CO 0.20 -0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.49 2qtw n GLN 342 N -3.37 3.21 -2.11 0.00 3.00 -1.26 -4.91 117.38 111.93 2qtw n GLN 342 Ca -0.03 -2.22 -0.18 0.00 -0.01 0.00 0.00 57.00 54.56 2qtw n GLN 342 Cb 0.08 -1.79 -0.03 0.00 0.00 0.00 0.00 30.24 28.49 2qtw n GLN 342 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2qtw n ASP 343 N 0.77 -5.13 -4.87 1.08 8.00 0.44 -4.96 116.55 111.89 2qtw n ASP 343 Ca 0.20 0.18 -0.27 0.00 0.71 0.00 0.00 54.79 55.62 2qtw n ASP 343 Cb 0.74 -4.39 -0.04 0.00 -0.02 0.00 0.00 41.12 37.41 2qtw n ASP 343 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2qtw s GLN 344 N -4.54 3.16 0.38 -1.24 -1.52 -1.26 -3.92 119.66 110.72 2qtw s GLN 344 Ca 0.00 -0.72 -0.28 0.00 -1.95 0.00 0.00 55.36 52.41 2qtw s GLN 344 Cb 0.00 -2.81 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 2qtw s GLN 344 CO 0.00 0.51 1.49 -2.14 -0.25 0.00 0.00 175.29 174.90 2qtw s PRO 345 N -3.10 4.10 0.00 2.91 0.02 -1.26 -0.47 135.00 137.20 2qtw s PRO 345 Ca 0.33 2.58 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 2qtw s PRO 345 Cb -0.11 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 2qtw s PRO 345 CO 0.26 -0.55 1.14 0.08 -0.33 0.00 0.00 177.00 177.60 2qtw s VAL 346 N -1.10 4.33 0.02 3.83 1.01 -0.62 -4.77 120.40 123.11 2qtw s VAL 346 Ca 0.53 1.66 -0.21 0.00 0.00 0.00 0.00 61.98 63.96 2qtw s VAL 346 Cb -0.47 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 2qtw s VAL 346 CO 0.63 0.08 0.62 -0.89 0.00 0.00 0.00 175.10 175.54 2qtw s THR 347 N 1.48 4.85 -0.37 3.92 2.01 -1.26 -1.21 115.64 125.06 2qtw s THR 347 Ca 0.56 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.86 2qtw s THR 347 Cb -0.25 -3.95 0.12 0.00 0.01 0.00 0.00 72.50 68.42 2qtw s THR 347 CO 0.26 0.43 0.18 -0.76 -0.69 0.00 0.00 174.62 174.04 2qtw s LEU 348 N -0.32 2.17 0.00 4.42 1.43 -0.43 -4.87 118.68 121.09 2qtw s LEU 348 Ca 0.32 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 2qtw s LEU 348 Cb -0.19 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2qtw s LEU 348 CO 0.18 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.04 2qtw n GLY 349 N 4.18 3.97 0.31 -3.19 0.00 -1.26 -1.09 105.19 108.11 2qtw n GLY 349 Ca 0.05 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2qtw n GLY 349 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qtw n THR 350 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.87 114.28 108.52 2qtw n THR 350 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2qtw n THR 350 Cb 0.00 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2qtw n THR 350 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qtw n LEU 351 N -0.40 0.00 0.00 3.22 4.77 -0.25 -5.00 117.00 119.34 2qtw n LEU 351 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2qtw n LEU 351 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2qtw n LEU 351 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2qtw n GLY 352 N 5.00 -1.17 3.70 -0.72 0.00 -1.11 -1.31 105.19 109.58 2qtw n GLY 352 Ca 0.00 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2qtw n GLY 352 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qtw n THR 353 N 3.27 1.50 -1.06 2.61 5.66 -0.35 0.02 114.28 125.94 2qtw n THR 353 Ca 0.00 -0.38 -0.29 0.00 -3.05 0.00 0.00 64.05 60.34 2qtw n THR 353 Cb 0.00 -1.59 0.20 0.00 -1.55 0.00 0.00 70.33 67.39 2qtw n THR 353 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qtw s ASN 354 N 0.01 2.09 0.00 1.09 0.01 0.28 -3.68 114.94 114.73 2qtw s ASN 354 Ca 0.61 1.15 0.00 0.00 -0.71 0.00 0.00 52.86 53.91 2qtw s ASN 354 Cb -0.59 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.28 2qtw s ASN 354 CO 0.56 -3.46 0.00 2.22 -1.51 0.00 0.00 177.10 174.91 2qtw n PHE 355 N -4.39 -0.65 -0.23 2.20 -1.74 -0.40 -4.77 117.46 107.49 2qtw n PHE 355 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.94 2qtw n PHE 355 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 2qtw n PHE 355 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2qtw n GLY 356 N 0.00 -2.46 0.12 4.97 0.00 -1.26 -0.61 105.19 105.95 2qtw n GLY 356 Ca 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.12 2qtw n GLY 356 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qtw n ARG 357 N -0.02 0.25 0.00 1.61 1.85 -1.19 -1.89 116.66 117.27 2qtw n ARG 357 Ca 0.00 0.28 0.15 0.00 -1.00 0.00 0.00 57.85 57.28 2qtw n ARG 357 Cb 0.00 -1.84 0.73 0.00 -1.05 0.00 0.00 32.46 30.30 2qtw n ARG 357 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qtw s VAL 359 N -2.52 5.11 -0.06 0.00 1.01 -0.79 -4.51 120.40 118.65 2qtw s VAL 359 Ca 0.30 1.20 -0.15 0.00 0.00 0.00 0.00 61.98 63.33 2qtw s VAL 359 Cb 0.20 -3.93 -0.30 0.00 0.00 0.00 0.00 36.38 32.35 2qtw s VAL 359 CO 0.46 0.28 0.70 0.44 0.00 0.00 0.00 175.10 176.98 2qtw h ASP 360 N 6.77 0.56 -5.31 3.32 3.32 -1.22 -3.39 116.42 120.46 2qtw h ASP 360 Ca -0.41 -0.91 0.17 0.00 0.02 0.00 0.00 57.03 55.90 2qtw h ASP 360 Cb 1.19 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.48 2qtw h ASP 360 CO 0.76 1.68 0.47 -1.48 -1.72 0.00 0.00 179.24 178.95 2qtw s LEU 361 N -7.49 -0.17 0.29 1.55 2.34 -1.18 -4.81 118.68 109.21 2qtw s LEU 361 Ca -0.16 -0.44 0.08 0.00 0.06 0.00 0.00 54.13 53.66 2qtw s LEU 361 Cb 0.04 2.20 -0.03 0.00 -0.56 0.00 0.00 46.19 47.84 2qtw s LEU 361 CO 0.83 -0.94 0.20 -0.36 -1.06 0.00 0.00 176.35 175.02 2qtw s PHE 362 N -3.27 2.95 0.15 3.48 0.08 0.38 -1.08 117.98 120.67 2qtw s PHE 362 Ca 0.13 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 2qtw s PHE 362 Cb -0.02 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2qtw s PHE 362 CO 0.03 0.39 0.39 0.00 -0.10 0.00 0.00 175.22 175.93 2qtw s ALA 363 N -2.25 -0.68 -0.12 5.36 0.00 -0.38 0.03 121.76 123.72 2qtw s ALA 363 Ca 0.36 -0.31 -0.37 0.00 0.00 0.00 0.00 51.96 51.64 2qtw s ALA 363 Cb -0.06 0.74 -0.14 0.00 0.00 0.00 0.00 23.12 23.66 2qtw s ALA 363 CO 0.25 -0.67 1.73 -2.30 0.00 0.00 0.00 175.76 174.76 2qtw n PRO 364 N -0.23 1.63 -1.05 0.00 -0.02 -1.26 -1.01 135.00 133.05 2qtw n PRO 364 Ca -0.13 0.59 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2qtw n PRO 364 Cb 0.63 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 2qtw n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtw n GLY 365 N 3.98 0.77 3.05 -1.23 0.00 0.07 -3.11 105.19 108.71 2qtw n GLY 365 Ca 0.23 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2qtw n GLY 365 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qtw s GLU 366 N 0.00 1.20 -1.23 1.61 2.12 -1.23 0.06 118.70 121.23 2qtw s GLU 366 Ca 0.14 -0.40 -0.02 0.00 0.36 0.00 0.00 54.97 55.05 2qtw s GLU 366 Cb 0.16 -1.09 -0.01 0.00 0.26 0.00 0.00 34.13 33.45 2qtw s GLU 366 CO -0.07 0.17 0.84 -3.47 -0.54 0.00 0.00 175.26 172.18 2qtw n ASP 367 N 3.20 -2.36 -4.51 -1.70 2.03 -1.14 -4.76 116.55 107.31 2qtw n ASP 367 Ca -0.18 -0.75 -0.41 0.00 0.52 0.00 0.00 54.79 53.98 2qtw n ASP 367 Cb 0.54 -4.54 -0.10 0.00 -0.72 0.00 0.00 41.12 36.29 2qtw n ASP 367 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2qtw s ILE 368 N -3.51 5.25 0.17 5.18 -1.09 -0.26 -4.83 121.20 122.11 2qtw s ILE 368 Ca 0.08 -0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 57.89 2qtw s ILE 368 Cb -0.02 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 2qtw s ILE 368 CO 0.78 -0.07 0.92 -0.51 -1.23 0.00 0.00 174.94 174.82 2qtw s ILE 369 N 1.71 4.31 0.24 2.92 1.10 -1.26 -1.88 121.20 128.34 2qtw s ILE 369 Ca 0.06 2.01 -0.21 0.00 -0.51 0.00 0.00 60.65 62.00 2qtw s ILE 369 Cb -0.18 -4.29 0.07 0.00 0.15 0.00 0.00 42.46 38.21 2qtw s ILE 369 CO 0.10 0.43 0.95 -0.83 -2.11 0.00 0.00 174.94 173.48 2qtw s GLY 370 N -0.67 0.13 0.09 1.50 0.00 -0.47 -4.82 107.32 103.09 2qtw s GLY 370 Ca 0.42 -0.39 -0.36 0.00 0.00 0.00 0.00 44.72 44.40 2qtw s GLY 370 CO 0.30 1.23 1.14 0.00 0.00 0.00 0.00 173.10 175.77 2qtw n ALA 371 N -0.61 -1.88 -3.00 3.20 0.00 -1.26 -1.12 120.51 115.83 2qtw n ALA 371 Ca -0.05 0.52 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 2qtw n ALA 371 Cb 0.60 -1.93 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 2qtw n ALA 371 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qtw s SER 372 N 0.07 4.71 0.00 0.00 0.15 -0.39 -3.21 113.70 115.04 2qtw s SER 372 Ca 0.81 -0.17 0.11 0.00 0.70 0.00 0.00 55.95 57.41 2qtw s SER 372 Cb -1.02 -1.77 0.67 0.00 -1.71 0.00 0.00 66.02 62.19 2qtw s SER 372 CO 0.52 0.15 1.29 -1.54 1.20 0.00 0.00 173.24 174.86 2qtw n SER 373 N 3.67 0.00 -0.20 5.45 3.41 -1.26 -3.03 113.62 121.66 2qtw n SER 373 Ca -0.17 -1.27 -0.06 0.00 -0.26 0.00 0.00 58.87 57.10 2qtw n SER 373 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 2qtw n SER 373 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qtw h ASP 374 N 0.00 0.66 -5.04 4.04 3.32 -1.92 -3.41 116.42 114.08 2qtw h ASP 374 Ca 0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2qtw h ASP 374 Cb 0.00 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 39.25 2qtw h ASP 374 CO 0.00 0.50 0.03 0.00 -1.72 0.00 0.00 179.24 178.05 2qtw n SER 376 N -0.05 0.00 0.00 0.00 3.41 -1.26 -1.52 113.62 114.21 2qtw n SER 376 Ca -0.17 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2qtw n SER 376 Cb 0.63 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2qtw n SER 376 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qtw n THR 377 N -1.49 0.55 -2.37 6.66 -2.24 -1.26 -0.93 114.28 113.21 2qtw n THR 377 Ca 0.03 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 2qtw n THR 377 Cb 0.12 0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2qtw n THR 377 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qtw s PHE 379 N -2.80 1.16 -0.05 0.00 0.08 -1.26 -1.26 117.98 113.84 2qtw s PHE 379 Ca 0.53 -0.59 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 2qtw s PHE 379 Cb -0.10 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.73 2qtw s PHE 379 CO 0.43 0.05 0.20 0.54 -0.10 0.00 0.00 175.22 176.34 2qtw s VAL 380 N -2.14 0.02 -0.04 -0.44 0.11 -0.28 -4.71 120.40 112.94 2qtw s VAL 380 Ca 0.05 -0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 2qtw s VAL 380 Cb -0.05 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2qtw s VAL 380 CO 0.01 -0.11 0.55 -0.44 -3.33 0.00 0.00 175.10 171.78 2qtw s SER 381 N -0.35 6.87 0.12 3.54 0.01 -1.26 -1.37 113.70 121.27 2qtw s SER 381 Ca -0.04 1.04 0.04 0.00 1.31 0.00 0.00 55.95 58.30 2qtw s SER 381 Cb -0.03 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 2qtw s SER 381 CO 0.01 0.08 -0.10 -1.10 0.41 0.00 0.00 173.24 172.54 2qtw s GLN 382 N 0.00 0.96 0.05 12.44 -0.21 -0.79 -4.81 119.66 127.31 2qtw s GLN 382 Ca 0.29 -1.31 0.05 0.00 0.02 0.00 0.00 55.36 54.41 2qtw s GLN 382 Cb -0.17 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 2qtw s GLN 382 CO 0.15 0.08 -0.15 -1.12 -2.12 0.00 0.00 175.29 172.12 2qtw s SER 383 N -2.82 1.80 0.00 5.90 0.01 -1.26 -1.10 113.70 116.22 2qtw s SER 383 Ca 0.11 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2qtw s SER 383 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2qtw s SER 383 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2qtw n GLY 384 N 1.74 3.11 0.26 3.44 0.00 0.11 -4.88 105.19 108.97 2qtw n GLY 384 Ca -0.19 -1.11 0.15 0.00 0.00 0.00 0.00 46.02 44.88 2qtw n GLY 384 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtw h THR 385 N 1.00 0.15 -0.55 2.61 1.35 -1.86 -2.48 112.91 113.12 2qtw h THR 385 Ca 0.00 -0.66 0.04 0.00 -0.55 0.00 0.00 66.41 65.24 2qtw h THR 385 Cb 0.00 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 2qtw h THR 385 CO 0.00 0.05 0.31 0.28 -0.25 0.00 0.00 175.52 175.91 2qtw h SER 386 N 0.00 0.48 -0.46 5.36 0.02 -1.89 0.66 113.55 117.72 2qtw h SER 386 Ca -0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2qtw h SER 386 Cb 0.56 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2qtw h SER 386 CO 0.01 0.33 0.22 1.56 -1.14 0.00 0.00 176.83 177.81 2qtw h GLN 387 N 0.61 0.67 -0.29 3.45 7.50 -1.82 -0.79 115.11 124.44 2qtw h GLN 387 Ca 0.23 -0.10 0.04 0.00 0.50 0.00 0.00 58.65 59.32 2qtw h GLN 387 Cb 0.08 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 2qtw h GLN 387 CO -0.13 0.57 0.06 0.00 -1.50 0.00 0.00 178.83 177.83 2qtw h ALA 388 N 1.07 0.30 -0.57 3.87 0.00 -1.26 -2.23 119.26 120.44 2qtw h ALA 388 Ca 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2qtw h ALA 388 Cb 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2qtw h ALA 388 CO -0.02 -0.35 0.32 0.00 0.00 0.00 0.00 179.25 179.20 2qtw h ALA 389 N 1.21 1.50 -0.62 0.00 0.00 -0.57 -1.56 119.26 119.22 2qtw h ALA 389 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qtw h ALA 389 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2qtw h ALA 389 CO -0.17 0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.73 2qtw h ALA 390 N 1.57 1.24 -0.71 0.00 0.00 -0.58 0.10 119.26 120.88 2qtw h ALA 390 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qtw h ALA 390 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2qtw h ALA 390 CO -0.04 0.55 0.43 0.45 0.00 0.00 0.00 179.25 180.64 2qtw h HIS 391 N 0.89 0.94 -0.11 0.00 3.86 -0.76 -0.77 115.15 119.21 2qtw h HIS 391 Ca 0.21 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.22 2qtw h HIS 391 Cb 0.20 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.37 2qtw h HIS 391 CO 0.01 0.64 -0.74 0.28 0.86 0.00 0.00 177.93 178.98 2qtw h VAL 392 N 0.97 1.34 -0.45 2.45 2.07 -1.09 0.13 116.25 121.68 2qtw h VAL 392 Ca 0.25 -2.07 0.03 0.00 0.82 0.00 0.00 66.70 65.73 2qtw h VAL 392 Cb -0.03 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2qtw h VAL 392 CO -0.05 0.64 0.25 0.00 0.02 0.00 0.00 177.57 178.42 2qtw h ALA 393 N 0.81 0.56 -0.34 1.67 0.00 -0.64 0.63 119.26 121.96 2qtw h ALA 393 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qtw h ALA 393 Cb 1.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2qtw h ALA 393 CO 0.14 -0.09 0.15 0.78 0.00 0.00 0.00 179.25 180.23 2qtw h GLY 394 N 0.49 0.45 1.03 0.00 0.00 -0.73 -0.90 103.07 103.40 2qtw h GLY 394 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2qtw h GLY 394 CO -0.11 0.07 0.48 -2.22 0.00 0.00 0.00 176.54 174.76 2qtw h ILE 395 N 0.32 1.25 -0.50 2.60 2.04 -0.48 -1.43 117.51 121.32 2qtw h ILE 395 Ca 0.15 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.32 2qtw h ILE 395 Cb 0.08 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2qtw h ILE 395 CO -0.12 0.29 0.11 0.00 0.00 0.00 0.00 178.15 178.43 2qtw h ALA 396 N 1.26 0.66 -0.90 1.87 0.00 -0.66 0.12 119.26 121.62 2qtw h ALA 396 Ca 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qtw h ALA 396 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2qtw h ALA 396 CO -0.05 0.37 0.50 0.00 0.00 0.00 0.00 179.25 180.06 2qtw h ALA 397 N 0.99 1.15 -0.32 0.00 0.00 -0.86 0.62 119.26 120.84 2qtw h ALA 397 Ca 0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2qtw h ALA 397 Cb 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qtw h ALA 397 CO 0.00 0.65 -0.10 0.52 0.00 0.00 0.00 179.25 180.32 2qtw h MET 398 N 1.25 0.64 -0.62 0.00 2.07 -0.79 -0.95 114.93 116.53 2qtw h MET 398 Ca 0.32 -0.26 -0.07 0.00 -2.07 0.00 0.00 59.70 57.62 2qtw h MET 398 Cb 0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.69 2qtw h MET 398 CO -0.05 0.83 0.12 0.52 1.07 0.00 0.00 176.91 179.40 2qtw h MET 399 N 0.41 1.00 0.00 1.72 2.86 -0.39 -2.26 114.93 118.27 2qtw h MET 399 Ca 0.08 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 2qtw h MET 399 Cb 0.61 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2qtw h MET 399 CO 0.04 0.91 -0.54 -0.07 1.06 0.00 0.00 176.91 178.31 2qtw h LEU 400 N 0.95 0.00 -0.81 1.22 3.38 -0.82 -0.00 115.31 119.22 2qtw h LEU 400 Ca 0.20 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2qtw h LEU 400 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2qtw h LEU 400 CO 0.01 0.54 -0.25 0.28 0.09 0.00 0.00 178.44 179.11 2qtw h SER 401 N 0.00 0.63 0.30 -0.43 0.02 -0.93 -1.69 113.55 111.44 2qtw h SER 401 Ca -0.01 -0.22 -0.28 0.00 -0.84 0.00 0.00 61.79 60.44 2qtw h SER 401 Cb 1.24 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 63.62 2qtw h SER 401 CO 0.07 0.86 -1.20 0.00 -1.14 0.00 0.00 176.83 175.42 2qtw h ALA 402 N 1.19 0.09 -2.34 3.77 0.00 -1.20 -3.39 119.26 117.37 2qtw h ALA 402 Ca 0.08 -0.79 -0.59 0.00 0.00 0.00 0.00 54.91 53.61 2qtw h ALA 402 Cb 0.71 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 2qtw h ALA 402 CO 0.05 0.78 -0.92 0.39 0.00 0.00 0.00 179.25 179.55 2qtw n GLU 403 N -3.72 0.79 0.30 0.00 1.02 -0.03 -4.99 120.64 114.01 2qtw n GLU 403 Ca -0.11 -3.51 0.18 0.00 -0.02 0.00 0.00 57.16 53.69 2qtw n GLU 403 Cb 0.97 -1.68 0.95 0.00 -0.02 0.00 0.00 31.44 31.66 2qtw n GLU 403 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qtw h PRO 404 N 4.98 0.00 -0.02 3.49 0.11 -1.52 -2.43 132.00 136.61 2qtw h PRO 404 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2qtw h PRO 404 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2qtw h PRO 404 CO 0.49 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 2qtw n GLU 405 N -3.37 1.29 -1.67 1.05 1.02 -1.26 -4.84 120.64 112.86 2qtw n GLU 405 Ca -0.02 -0.43 -0.46 0.00 -0.02 0.00 0.00 57.16 56.23 2qtw n GLU 405 Cb 0.16 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2qtw n GLU 405 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qtw n LEU 406 N -0.45 3.04 -4.81 -4.62 4.77 -0.91 -4.97 117.00 109.05 2qtw n LEU 406 Ca 0.20 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.97 2qtw n LEU 406 Cb 0.20 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 39.94 2qtw n LEU 406 CO 0.16 -0.35 0.71 0.42 -1.33 0.00 0.00 177.39 176.99 2qtw s THR 407 N 0.71 3.73 0.33 -5.08 -4.23 -1.26 -4.84 115.64 105.00 2qtw s THR 407 Ca 0.77 0.56 0.08 0.00 -1.18 0.00 0.00 61.69 61.93 2qtw s THR 407 Cb -0.68 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 70.22 2qtw s THR 407 CO 0.40 -0.73 1.80 0.25 -0.54 0.00 0.00 174.62 175.80 2qtw h LEU 408 N -0.87 0.71 -0.52 4.79 5.85 -1.96 0.04 115.31 123.36 2qtw h LEU 408 Ca -0.44 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 2qtw h LEU 408 Cb 1.22 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2qtw h LEU 408 CO 0.56 0.27 -0.55 0.00 -0.34 0.00 0.00 178.44 178.38 2qtw h ALA 409 N 1.63 0.70 -0.33 1.25 0.00 -1.99 0.15 119.26 120.68 2qtw h ALA 409 Ca 0.55 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2qtw h ALA 409 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2qtw h ALA 409 CO -0.33 0.69 -0.29 0.93 0.00 0.00 0.00 179.25 180.25 2qtw h GLU 410 N 0.43 0.69 -0.25 0.00 5.08 -1.70 -1.15 114.58 117.67 2qtw h GLU 410 Ca 0.01 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 2qtw h GLU 410 Cb 1.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qtw h GLU 410 CO 0.10 0.90 -0.42 1.25 -1.00 0.00 0.00 179.01 179.85 2qtw h LEU 411 N 0.59 0.80 -0.71 1.33 5.85 -0.71 -2.15 115.31 120.31 2qtw h LEU 411 Ca 0.07 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 2qtw h LEU 411 Cb 0.80 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2qtw h LEU 411 CO 0.07 1.17 0.24 -0.09 -0.34 0.00 0.00 178.44 179.49 2qtw h ARG 412 N 0.46 1.10 -0.38 1.25 2.43 -0.59 -0.68 114.38 117.96 2qtw h ARG 412 Ca 0.02 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 2qtw h ARG 412 Cb 1.02 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2qtw h ARG 412 CO 0.10 0.94 -0.11 1.96 -1.51 0.00 0.00 179.97 181.34 2qtw h GLN 413 N 1.05 0.67 -0.33 0.20 1.08 -1.14 -1.68 115.11 114.96 2qtw h GLN 413 Ca 0.23 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2qtw h GLN 413 Cb 0.29 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2qtw h GLN 413 CO -0.01 0.77 -0.07 0.00 -0.95 0.00 0.00 178.83 178.56 2qtw h ARG 414 N 0.62 0.63 -0.94 1.46 3.08 -1.18 0.60 114.38 118.65 2qtw h ARG 414 Ca 0.11 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 59.97 2qtw h ARG 414 Cb 0.55 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 2qtw h ARG 414 CO 0.03 0.80 0.60 -0.07 -1.07 0.00 0.00 179.97 180.27 2qtw h LEU 415 N 0.41 0.97 -0.12 3.04 3.38 -0.80 0.64 115.31 122.83 2qtw h LEU 415 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2qtw h LEU 415 Cb 0.57 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qtw h LEU 415 CO 0.03 0.64 -0.17 0.40 0.09 0.00 0.00 178.44 179.43 2qtw h ILE 416 N 1.12 1.37 -0.55 1.22 2.04 -1.26 -2.99 117.51 118.46 2qtw h ILE 416 Ca 0.39 -1.40 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2qtw h ILE 416 Cb 0.10 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2qtw h ILE 416 CO -0.15 0.41 0.15 -0.74 0.00 0.00 0.00 178.15 177.81 2qtw h HIS 417 N -0.10 0.92 -0.03 1.37 2.76 -0.15 -2.54 115.15 117.38 2qtw h HIS 417 Ca 0.01 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2qtw h HIS 417 Cb 0.73 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2qtw h HIS 417 CO 0.10 0.79 0.00 1.19 -1.30 0.00 0.00 177.93 178.71 2qtw n PHE 418 N -4.42 0.03 -2.15 5.26 3.72 0.15 -4.88 117.46 115.17 2qtw n PHE 418 Ca 0.02 -0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 2qtw n PHE 418 Cb 0.22 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2qtw n PHE 418 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2qtw s SER 419 N -1.80 5.93 0.15 4.37 0.01 -0.96 -4.01 113.70 117.39 2qtw s SER 419 Ca 0.38 1.82 -0.31 0.00 1.31 0.00 0.00 55.95 59.15 2qtw s SER 419 Cb 0.18 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 2qtw s SER 419 CO 0.30 -1.06 1.32 0.00 0.41 0.00 0.00 173.24 174.21 2qtw s ALA 420 N -2.39 3.53 0.02 1.44 0.00 0.80 -4.84 121.76 120.32 2qtw s ALA 420 Ca 0.64 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.73 2qtw s ALA 420 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2qtw s ALA 420 CO 0.34 -0.55 -0.13 0.15 0.00 0.00 0.00 175.76 175.58 2qtw s LYS 421 N 0.48 2.30 -1.48 0.00 1.02 -1.26 -1.24 119.74 119.56 2qtw s LYS 421 Ca 0.60 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 2qtw s LYS 421 Cb -0.36 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.63 2qtw s LYS 421 CO 0.34 0.57 0.83 -3.47 -0.92 0.00 0.00 175.35 172.70 2qtw n ASP 422 N 1.55 -6.09 -0.00 2.83 2.03 -0.68 -4.89 116.55 111.29 2qtw n ASP 422 Ca -0.16 -0.41 0.07 0.00 0.52 0.00 0.00 54.79 54.82 2qtw n ASP 422 Cb 0.52 -4.87 -0.10 0.00 -0.72 0.00 0.00 41.12 35.95 2qtw n ASP 422 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2qtw n VAL 423 N -4.69 0.00 -2.95 5.18 0.31 -1.26 -4.94 118.33 109.98 2qtw n VAL 423 Ca -0.06 -0.26 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 2qtw n VAL 423 Cb 0.59 0.54 -0.05 0.00 -0.91 0.00 0.00 33.84 34.01 2qtw n VAL 423 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qtw s ILE 424 N -2.76 4.81 -0.35 2.52 1.01 -1.25 -4.73 121.20 120.46 2qtw s ILE 424 Ca -0.01 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 2qtw s ILE 424 Cb 0.10 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2qtw s ILE 424 CO 0.62 0.31 1.29 0.21 0.00 0.00 0.00 174.94 177.37 2qtw s ASN 425 N 0.29 6.61 0.00 3.58 3.84 -1.26 -4.89 114.94 123.11 2qtw s ASN 425 Ca 0.41 1.03 0.30 0.00 0.21 0.00 0.00 52.86 54.81 2qtw s ASN 425 Cb -0.20 -2.54 1.54 0.00 -0.55 0.00 0.00 41.25 39.50 2qtw s ASN 425 CO 0.23 -1.16 2.06 -0.62 -2.79 0.00 0.00 177.10 174.82 2qtw n GLU 426 N 7.51 0.45 0.05 0.43 1.02 -1.26 -3.11 120.64 125.73 2qtw n GLU 426 Ca 0.15 -0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.50 2qtw n GLU 426 Cb 0.47 -1.50 0.74 0.00 -0.02 0.00 0.00 31.44 31.13 2qtw n GLU 426 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtw h ALA 427 N 3.45 2.25 0.00 0.62 0.00 -1.97 -1.17 119.26 122.44 2qtw h ALA 427 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qtw h ALA 427 Cb 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qtw h ALA 427 CO 0.00 -0.71 -0.23 2.35 0.00 0.00 0.00 179.25 180.66 2qtw h TRP 428 N 0.00 0.00 -3.67 0.00 7.01 -1.97 -3.44 115.95 113.88 2qtw h TRP 428 Ca 0.23 0.00 -0.50 0.00 2.11 0.00 0.00 58.89 60.73 2qtw h TRP 428 Cb 1.15 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 2qtw h TRP 428 CO 0.00 0.23 0.06 -0.06 -2.79 0.00 0.00 178.44 175.88 2qtw s PHE 429 N -4.47 3.38 0.59 2.65 0.08 -0.44 -5.04 117.98 114.73 2qtw s PHE 429 Ca -0.03 1.15 -0.18 0.00 0.12 0.00 0.00 56.93 57.98 2qtw s PHE 429 Cb 0.15 -2.48 -0.06 0.00 -0.57 0.00 0.00 43.02 40.06 2qtw s PHE 429 CO 0.70 0.13 0.86 -2.30 -0.10 0.00 0.00 175.22 174.51 2qtw n PRO 430 N -0.32 0.81 -0.25 0.24 -0.02 -1.26 -4.76 135.00 129.43 2qtw n PRO 430 Ca 0.03 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.83 2qtw n PRO 430 Cb 0.53 -2.06 0.13 0.00 -0.02 0.00 0.00 33.50 32.09 2qtw n PRO 430 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qtw h GLU 431 N 0.44 0.63 0.00 -0.52 5.08 -1.93 -0.63 114.58 117.65 2qtw h GLU 431 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2qtw h GLU 431 Cb 1.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2qtw h GLU 431 CO 0.50 0.42 0.00 -0.25 -1.00 0.00 0.00 179.01 178.68 2qtw n ASP 432 N -4.83 0.69 0.01 1.42 8.00 -1.26 -2.92 116.55 117.67 2qtw n ASP 432 Ca 0.11 0.62 0.11 0.00 0.71 0.00 0.00 54.79 56.35 2qtw n ASP 432 Cb 0.26 -0.79 0.09 0.00 -0.02 0.00 0.00 41.12 40.66 2qtw n ASP 432 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qtw n GLN 433 N -2.22 0.12 0.18 -1.24 1.13 -0.26 -4.34 117.38 110.75 2qtw n GLN 433 Ca 0.04 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.95 2qtw n GLN 433 Cb 0.31 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.03 2qtw n GLN 433 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qtw h ARG 434 N 0.00 -0.38 -0.09 -1.09 3.08 -1.39 -0.37 114.38 114.14 2qtw h ARG 434 Ca 0.00 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2qtw h ARG 434 Cb 0.60 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2qtw h ARG 434 CO 0.00 -0.25 0.00 0.28 -1.07 0.00 0.00 179.97 178.93 2qtw h VAL 435 N -0.41 1.06 0.00 2.04 2.07 -1.79 -2.68 116.25 116.55 2qtw h VAL 435 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2qtw h VAL 435 Cb 0.31 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2qtw h VAL 435 CO 0.07 0.07 -0.26 -0.07 0.02 0.00 0.00 177.57 177.40 2qtw h LEU 436 N 0.12 0.00 -9.11 2.57 3.38 -1.62 -3.46 115.31 107.19 2qtw h LEU 436 Ca 0.03 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.38 2qtw h LEU 436 Cb 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 2qtw h LEU 436 CO 0.00 0.01 -0.16 -0.89 0.09 0.00 0.00 178.44 177.49 2qtw s THR 437 N -3.22 5.17 0.20 0.22 2.01 -0.20 -3.19 115.64 116.63 2qtw s THR 437 Ca 0.06 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 2qtw s THR 437 Cb 0.08 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 2qtw s THR 437 CO 0.69 0.22 1.32 -2.84 -0.69 0.00 0.00 174.62 173.31 2qtw s PRO 438 N 1.51 4.38 -1.12 4.92 0.02 -1.26 -4.90 135.00 138.55 2qtw s PRO 438 Ca 0.20 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 63.19 2qtw s PRO 438 Cb -0.15 -3.19 0.27 0.00 0.02 0.00 0.00 34.50 31.45 2qtw s PRO 438 CO 0.09 -0.26 1.14 1.21 -0.33 0.00 0.00 177.00 178.84 2qtw s ASN 439 N 0.34 7.29 -0.05 2.53 3.84 -1.26 -4.74 114.94 122.89 2qtw s ASN 439 Ca 0.57 -3.52 -0.03 0.00 0.21 0.00 0.00 52.86 50.09 2qtw s ASN 439 Cb -0.37 -2.23 0.03 0.00 -0.55 0.00 0.00 41.25 38.13 2qtw s ASN 439 CO 0.38 -0.34 0.12 -0.76 -2.79 0.00 0.00 177.10 173.72 2qtw s LEU 440 N -0.94 1.11 -0.15 3.21 1.43 -1.26 -1.69 118.68 120.38 2qtw s LEU 440 Ca 0.32 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 2qtw s LEU 440 Cb -0.09 0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.49 2qtw s LEU 440 CO -0.07 -0.10 -0.16 -0.69 0.23 0.00 0.00 176.35 175.56 2qtw s VAL 441 N 0.69 1.70 0.52 -1.59 1.01 -0.37 -0.47 120.40 121.89 2qtw s VAL 441 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2qtw s VAL 441 Cb -0.07 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 2qtw s VAL 441 CO -0.03 0.48 1.03 0.00 0.00 0.00 0.00 175.10 176.58 2qtw n ALA 442 N 4.65 0.37 -3.10 5.51 0.00 0.10 -0.14 120.51 127.90 2qtw n ALA 442 Ca -0.18 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 2qtw n ALA 442 Cb 0.50 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 2qtw n ALA 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qtw s ALA 443 N -1.40 -0.85 0.55 0.00 0.00 -1.26 -4.48 121.76 114.33 2qtw s ALA 443 Ca 0.70 0.18 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 2qtw s ALA 443 Cb -0.47 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2qtw s ALA 443 CO 0.52 -0.42 1.24 -0.51 0.00 0.00 0.00 175.76 176.59 2qtw s LEU 444 N -1.97 3.79 0.47 0.00 1.43 0.67 -4.61 118.68 118.46 2qtw s LEU 444 Ca -0.06 2.47 -0.24 0.00 -1.03 0.00 0.00 54.13 55.28 2qtw s LEU 444 Cb -0.01 -4.44 -0.07 0.00 0.03 0.00 0.00 46.19 41.70 2qtw s LEU 444 CO -0.02 -1.45 1.27 -2.16 0.23 0.00 0.00 176.35 174.22 2qtw s PRO 445 N -3.08 3.65 0.77 1.29 0.04 -1.26 -4.25 135.00 132.16 2qtw s PRO 445 Ca 0.73 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.71 2qtw s PRO 445 Cb -0.33 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.78 2qtw s PRO 445 CO 0.37 -0.72 1.09 -1.25 0.04 0.00 0.00 177.00 176.54 2qtw s PRO 446 N -2.60 2.24 0.52 0.56 0.04 -1.26 -4.78 135.00 129.73 2qtw s PRO 446 Ca 0.63 1.18 0.25 0.00 0.04 0.00 0.00 61.00 63.11 2qtw s PRO 446 Cb -0.35 -1.89 1.45 0.00 0.04 0.00 0.00 34.50 33.74 2qtw s PRO 446 CO 0.44 -1.66 2.10 0.77 0.04 0.00 0.00 177.00 178.69 2qtw h SER 447 N -1.11 0.00 -0.05 6.66 0.02 -1.65 -2.90 113.55 114.52 2qtw h SER 447 Ca -0.44 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 2qtw h SER 447 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 2qtw h SER 447 CO 0.51 0.10 0.13 0.00 -1.14 0.00 0.00 176.83 176.43 2qtw h THR 448 N 0.00 0.18 -1.94 -2.27 1.03 -1.92 -3.50 112.91 104.48 2qtw h THR 448 Ca -0.00 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 66.51 2qtw h THR 448 Cb 0.24 0.88 -0.02 0.00 -1.07 0.00 0.00 68.15 68.18 2qtw h THR 448 CO 0.01 0.00 0.35 0.00 -0.01 0.00 0.00 175.52 175.87 2qtw n HIS 449 N -3.30 -0.75 -0.07 0.00 -0.00 -1.10 -5.23 115.22 104.75 2qtw n HIS 449 Ca -0.02 -0.56 0.00 0.00 -0.00 0.00 0.00 57.72 57.15 2qtw n HIS 449 Cb 0.21 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2qtw n HIS 449 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qtw n GLY 452 N -0.40 0.00 3.77 -1.39 0.00 -1.26 -4.07 105.19 101.84 2qtw n GLY 452 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2qtw n GLY 452 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2qtw s TRP 453 N -0.20 3.19 0.03 1.61 -0.00 -1.26 -5.06 118.94 117.25 2qtw s TRP 453 Ca 0.00 1.60 0.01 0.00 -0.00 0.00 0.00 56.10 57.71 2qtw s TRP 453 Cb 0.00 -3.29 -0.02 0.00 -0.00 0.00 0.00 33.47 30.16 2qtw s TRP 453 CO 0.00 -1.00 -0.06 -1.14 -0.00 0.00 0.00 176.95 174.75 2qtw s GLN 454 N -2.25 0.42 -0.41 5.86 0.74 -1.26 -4.82 119.66 117.94 2qtw s GLN 454 Ca 0.56 -0.63 -0.23 0.00 0.05 0.00 0.00 55.36 55.11 2qtw s GLN 454 Cb -0.28 -0.16 0.02 0.00 1.10 0.00 0.00 33.01 33.69 2qtw s GLN 454 CO 0.35 0.02 0.80 -1.17 -0.55 0.00 0.00 175.29 174.75 2qtw s LEU 455 N -1.34 4.16 -0.18 3.68 2.96 -1.26 -5.00 118.68 121.70 2qtw s LEU 455 Ca -0.10 0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2qtw s LEU 455 Cb -0.09 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 2qtw s LEU 455 CO -0.00 -0.85 0.05 -0.36 -1.32 0.00 0.00 176.35 173.87 2qtw s PHE 456 N 3.27 3.21 0.08 5.38 0.08 -1.26 -4.77 117.98 123.97 2qtw s PHE 456 Ca 0.32 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.41 2qtw s PHE 456 Cb -0.12 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 2qtw s PHE 456 CO 0.20 0.11 -0.10 0.00 -0.10 0.00 0.00 175.22 175.33 2qtw s ARG 458 N -2.32 0.44 -0.23 0.00 1.70 0.23 -4.96 118.95 113.81 2qtw s ARG 458 Ca 0.00 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 54.42 2qtw s ARG 458 Cb -0.06 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 2qtw s ARG 458 CO 0.00 -0.09 0.16 0.99 -1.08 0.00 0.00 175.30 175.29 2qtw s THR 459 N -2.18 5.37 -0.27 4.99 2.01 -1.26 -0.56 115.64 123.74 2qtw s THR 459 Ca -0.09 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2qtw s THR 459 Cb -0.04 -3.50 0.06 0.00 0.01 0.00 0.00 72.50 69.02 2qtw s THR 459 CO -0.03 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 2qtw s VAL 460 N 0.91 2.41 0.05 3.82 1.01 0.66 -4.98 120.40 124.29 2qtw s VAL 460 Ca 0.08 -1.57 -0.22 0.00 0.00 0.00 0.00 61.98 60.27 2qtw s VAL 460 Cb -0.13 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2qtw s VAL 460 CO 0.03 -0.06 0.67 0.26 0.00 0.00 0.00 175.10 176.00 2qtw s TRP 461 N 1.14 3.75 0.81 5.22 0.52 -1.26 -0.87 118.94 128.25 2qtw s TRP 461 Ca -0.08 1.36 -0.12 0.00 0.02 0.00 0.00 56.10 57.29 2qtw s TRP 461 Cb -0.20 -2.68 0.08 0.00 -1.15 0.00 0.00 33.47 29.52 2qtw s TRP 461 CO -0.04 0.39 1.11 -1.54 0.02 0.00 0.00 176.95 176.89 2qtw s SER 462 N -0.44 4.37 0.49 2.95 1.04 0.33 -4.97 113.70 117.48 2qtw s SER 462 Ca 0.34 1.22 -0.22 0.00 0.48 0.00 0.00 55.95 57.77 2qtw s SER 462 Cb -0.20 -1.93 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 2qtw s SER 462 CO 0.21 -2.03 0.99 0.00 0.98 0.00 0.00 173.24 173.38 2qtw n ALA 463 N -3.46 0.21 -1.81 5.32 0.00 -1.26 -4.73 120.51 114.77 2qtw n ALA 463 Ca 0.07 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2qtw n ALA 463 Cb 0.57 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2qtw n ALA 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qtw s HIS 464 N -1.37 2.87 0.35 0.00 2.46 -1.26 -4.65 115.29 113.69 2qtw s HIS 464 Ca 0.67 0.85 0.39 0.00 0.47 0.00 0.00 55.06 57.44 2qtw s HIS 464 Cb -0.50 -3.97 1.87 0.00 -0.13 0.00 0.00 32.58 29.85 2qtw s HIS 464 CO 0.54 -3.26 2.16 0.66 -2.47 0.00 0.00 174.74 172.37 2qtw h SER 465 N 5.07 0.00 -3.94 9.88 4.64 -1.35 -3.48 113.55 124.37 2qtw h SER 465 Ca -0.46 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 2qtw h SER 465 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2qtw h SER 465 CO 0.80 0.00 -0.08 0.61 -0.87 0.00 0.00 176.83 177.28 2qtw n GLY 466 N -0.53 -1.82 0.24 -0.77 0.00 -1.26 -4.65 105.19 96.40 2qtw n GLY 466 Ca -0.01 -1.47 0.15 0.00 0.00 0.00 0.00 46.02 44.69 2qtw n GLY 466 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qtw n PRO 467 N -2.31 1.26 -1.73 1.61 -0.04 -1.06 -3.83 135.00 128.90 2qtw n PRO 467 Ca -0.00 -0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 62.56 2qtw n PRO 467 Cb 0.07 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2qtw n PRO 467 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qtw n THR 468 N -0.45 2.33 -0.36 0.52 -2.24 -1.26 -4.76 114.28 108.06 2qtw n THR 468 Ca 0.20 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.53 2qtw n THR 468 Cb 0.25 -1.70 0.20 0.00 -2.10 0.00 0.00 70.33 66.98 2qtw n THR 468 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2qtw h ARG 469 N 2.42 1.02 -0.82 -0.78 2.47 -1.91 0.17 114.38 116.95 2qtw h ARG 469 Ca -0.48 -0.06 -0.29 0.00 -1.26 0.00 0.00 59.98 57.89 2qtw h ARG 469 Cb 1.28 -0.23 -0.17 0.00 -1.65 0.00 0.00 29.97 29.19 2qtw h ARG 469 CO 0.62 0.67 0.36 -1.33 0.56 0.00 0.00 179.97 180.85 2qtw n MET 470 N -4.58 3.36 -2.24 0.04 2.81 -1.26 -4.50 117.12 110.74 2qtw n MET 470 Ca 0.17 -3.01 -0.40 0.00 -1.81 0.00 0.00 57.70 52.65 2qtw n MET 470 Cb 0.27 -2.20 -0.03 0.00 -0.71 0.00 0.00 33.22 30.56 2qtw n MET 470 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qtw s ALA 471 N -3.01 3.41 0.01 3.04 0.00 0.60 -4.90 121.76 120.91 2qtw s ALA 471 Ca 0.55 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.67 2qtw s ALA 471 Cb 0.44 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2qtw s ALA 471 CO 0.13 -0.49 -0.16 0.95 0.00 0.00 0.00 175.76 176.18 2qtw s THR 472 N -1.20 1.27 -0.07 0.00 -4.23 -1.26 -1.62 115.64 108.53 2qtw s THR 472 Ca 0.49 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 2qtw s THR 472 Cb -0.36 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 2qtw s THR 472 CO 0.47 0.22 0.05 0.00 -0.54 0.00 0.00 174.62 174.82 2qtw s ALA 473 N -0.58 3.49 -0.13 3.99 0.00 0.03 -4.70 121.76 123.85 2qtw s ALA 473 Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2qtw s ALA 473 Cb -0.07 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2qtw s ALA 473 CO 0.00 0.62 -0.18 0.42 0.00 0.00 0.00 175.76 176.63 2qtw s ILE 474 N -1.00 1.75 -0.20 0.00 1.01 -1.26 -0.41 121.20 121.09 2qtw s ILE 474 Ca 0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2qtw s ILE 474 Cb -0.12 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2qtw s ILE 474 CO 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 174.94 175.47 2qtw s ALA 475 N 1.05 2.94 0.20 9.38 0.00 0.19 -4.60 121.76 130.93 2qtw s ALA 475 Ca -0.04 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 50.98 2qtw s ALA 475 Cb -0.15 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 2qtw s ALA 475 CO -0.04 -0.20 -0.04 1.03 0.00 0.00 0.00 175.76 176.50 2qtw s ARG 476 N 1.09 2.23 0.42 0.00 0.52 -1.26 -1.29 118.95 120.66 2qtw s ARG 476 Ca 0.02 -1.26 0.08 0.00 -0.52 0.00 0.00 55.73 54.04 2qtw s ARG 476 Cb -0.14 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2qtw s ARG 476 CO 0.01 0.42 0.55 0.00 0.02 0.00 0.00 175.30 176.30 2qtw s ALA 478 N -2.35 2.41 0.35 0.00 0.00 -1.26 -4.93 121.76 115.98 2qtw s ALA 478 Ca 0.54 0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2qtw s ALA 478 Cb -0.10 -3.21 0.78 0.00 0.00 0.00 0.00 23.12 20.60 2qtw s ALA 478 CO 0.33 -1.55 1.87 -1.35 0.00 0.00 0.00 175.76 175.06 2qtw h PRO 479 N -0.96 0.71 -0.30 0.00 0.11 -2.03 -1.70 132.00 127.83 2qtw h PRO 479 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qtw h PRO 479 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qtw h PRO 479 CO 0.55 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 2qtw n ASP 480 N -4.57 2.06 -4.85 -2.05 5.75 -1.26 -4.90 116.55 106.74 2qtw n ASP 480 Ca 0.17 -1.87 -0.24 0.00 -0.01 0.00 0.00 54.79 52.84 2qtw n ASP 480 Cb 0.45 -0.20 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 2qtw n ASP 480 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2qtw s GLU 481 N -1.60 3.04 -0.11 0.11 2.02 -0.64 -4.65 118.70 116.86 2qtw s GLU 481 Ca 0.30 -0.90 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2qtw s GLU 481 Cb 0.16 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 2qtw s GLU 481 CO 0.23 0.45 0.01 -1.21 0.02 0.00 0.00 175.26 174.75 2qtw s GLU 482 N -3.53 3.28 -0.56 1.61 0.41 0.32 -4.74 118.70 115.49 2qtw s GLU 482 Ca 0.32 -0.41 -0.28 0.00 -0.41 0.00 0.00 54.97 54.19 2qtw s GLU 482 Cb -0.09 -2.89 0.01 0.00 -1.78 0.00 0.00 34.13 29.38 2qtw s GLU 482 CO 0.25 0.55 1.50 -1.17 -0.49 0.00 0.00 175.26 175.90 2qtw s LEU 483 N -0.45 3.38 0.20 1.80 2.96 -1.26 -0.41 118.68 124.90 2qtw s LEU 483 Ca 0.08 0.34 0.23 0.00 -0.22 0.00 0.00 54.13 54.56 2qtw s LEU 483 Cb -0.12 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.60 2qtw s LEU 483 CO 0.02 -1.81 1.06 -0.07 -1.32 0.00 0.00 176.35 174.24 2qtw h LEU 484 N 13.59 0.00 -8.03 -0.68 3.38 -1.04 -3.49 115.31 119.04 2qtw h LEU 484 Ca -0.27 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2qtw h LEU 484 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2qtw h LEU 484 CO 1.18 0.01 0.22 -0.94 0.09 0.00 0.00 178.44 179.00 2qtw s SER 485 N -5.28 -0.11 -0.20 -0.43 1.04 -1.22 -2.99 113.70 104.51 2qtw s SER 485 Ca 0.00 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 55.46 2qtw s SER 485 Cb 0.10 0.77 0.08 0.00 0.10 0.00 0.00 66.02 67.07 2qtw s SER 485 CO 0.79 -1.48 0.46 0.00 0.98 0.00 0.00 173.24 173.98 2qtw n SER 487 N 4.85 1.22 -3.92 0.00 3.41 0.41 -4.48 113.62 115.12 2qtw n SER 487 Ca -0.16 -2.94 -0.09 0.00 -0.26 0.00 0.00 58.87 55.43 2qtw n SER 487 Cb 0.53 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 65.34 2qtw n SER 487 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qtw s SER 488 N -3.24 -0.15 -0.28 4.04 1.04 -1.25 -0.80 113.70 113.07 2qtw s SER 488 Ca 0.18 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 2qtw s SER 488 Cb 0.01 0.60 0.08 0.00 0.10 0.00 0.00 66.02 66.81 2qtw s SER 488 CO 0.13 -1.14 0.71 0.12 0.98 0.00 0.00 173.24 174.04 2qtw s PHE 489 N -3.97 -0.92 0.02 5.02 5.36 -0.84 -2.26 117.98 120.40 2qtw s PHE 489 Ca 0.17 2.01 0.03 0.00 -0.96 0.00 0.00 56.93 58.19 2qtw s PHE 489 Cb -0.01 0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 43.10 2qtw s PHE 489 CO 0.06 -0.45 -0.10 -1.54 -1.46 0.00 0.00 175.22 171.73 2qtw s SER 490 N 0.98 1.12 0.36 6.13 1.04 -0.65 -0.95 113.70 121.73 2qtw s SER 490 Ca -0.05 -0.35 0.13 0.00 0.48 0.00 0.00 55.95 56.17 2qtw s SER 490 Cb -0.05 -0.06 0.67 0.00 0.10 0.00 0.00 66.02 66.68 2qtw s SER 490 CO -0.09 -0.01 1.78 0.03 0.98 0.00 0.00 173.24 175.94 2qtw h ARG 491 N 5.24 0.00 0.00 4.02 3.08 -1.86 -2.44 114.38 122.42 2qtw h ARG 491 Ca -0.34 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.54 2qtw h ARG 491 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2qtw h ARG 491 CO 0.45 0.41 -0.79 0.66 -1.07 0.00 0.00 179.97 179.64 2qtw h SER 492 N 0.00 0.00 0.00 7.04 4.64 -1.94 -3.48 113.55 119.82 2qtw h SER 492 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qtw h SER 492 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2qtw h SER 492 CO 0.05 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 2qtw n GLY 493 N 1.21 0.73 3.44 -0.77 0.00 -0.92 -4.96 105.19 103.92 2qtw n GLY 493 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2qtw n GLY 493 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtw s LYS 494 N -0.29 3.29 -0.14 1.61 1.02 -1.26 -4.86 119.74 119.10 2qtw s LYS 494 Ca 0.00 -1.25 -0.11 0.00 0.02 0.00 0.00 55.97 54.63 2qtw s LYS 494 Cb 0.00 -4.50 0.04 0.00 -0.52 0.00 0.00 37.83 32.85 2qtw s LYS 494 CO 0.00 -1.77 0.35 0.50 -0.92 0.00 0.00 175.35 173.52 2qtw s ARG 495 N 3.36 0.39 -0.23 1.68 3.52 -1.26 -2.91 118.95 123.50 2qtw s ARG 495 Ca 0.25 0.54 0.14 0.00 -0.13 0.00 0.00 55.73 56.52 2qtw s ARG 495 Cb -0.13 0.14 0.59 0.00 -1.56 0.00 0.00 34.95 33.99 2qtw s ARG 495 CO 0.02 -0.07 1.53 0.54 -0.81 0.00 0.00 175.30 176.51 2qtw n ARG 496 N 3.21 3.00 0.00 5.12 1.74 -0.13 -4.59 116.66 125.02 2qtw n ARG 496 Ca -0.16 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 53.95 2qtw n ARG 496 Cb 0.57 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2qtw n ARG 496 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qtw n GLY 497 N -0.49 -0.01 3.41 -0.13 0.00 -1.25 -1.41 105.19 105.31 2qtw n GLY 497 Ca 0.28 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2qtw n GLY 497 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qtw s GLU 498 N 0.00 1.22 0.01 1.61 1.03 -0.38 -0.89 118.70 121.30 2qtw s GLU 498 Ca 0.00 -0.96 -0.12 0.00 0.03 0.00 0.00 54.97 53.92 2qtw s GLU 498 Cb 0.00 0.45 0.01 0.00 -0.80 0.00 0.00 34.13 33.80 2qtw s GLU 498 CO 0.00 -0.48 0.26 -0.98 -1.33 0.00 0.00 175.26 172.72 2qtw s ARG 499 N -3.90 0.67 -0.26 -4.83 1.70 0.10 -3.00 118.95 109.43 2qtw s ARG 499 Ca 0.11 -0.37 -0.16 0.00 -0.47 0.00 0.00 55.73 54.84 2qtw s ARG 499 Cb 0.01 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2qtw s ARG 499 CO -0.04 -0.19 0.43 -1.64 -1.08 0.00 0.00 175.30 172.78 2qtw s MET 500 N -1.79 4.06 0.02 3.89 -1.94 -1.26 -0.57 119.30 121.70 2qtw s MET 500 Ca -0.11 0.16 0.05 0.00 -1.71 0.00 0.00 55.69 54.09 2qtw s MET 500 Cb -0.04 -3.64 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 2qtw s MET 500 CO 0.01 -0.27 -0.15 -1.83 -0.01 0.00 0.00 175.02 172.76 2qtw s GLU 501 N 2.06 1.08 0.52 2.03 -1.05 -0.43 -4.95 118.70 117.96 2qtw s GLU 501 Ca 0.18 -0.69 -0.17 0.00 -0.15 0.00 0.00 54.97 54.14 2qtw s GLU 501 Cb -0.16 -1.08 -0.08 0.00 -0.44 0.00 0.00 34.13 32.37 2qtw s GLU 501 CO 0.09 0.28 0.99 0.00 0.95 0.00 0.00 175.26 177.57 2qtw s ALA 502 N -0.66 3.06 -0.30 -0.84 0.00 -1.26 -0.68 121.76 121.08 2qtw s ALA 502 Ca 0.04 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2qtw s ALA 502 Cb -0.07 -3.12 0.17 0.00 0.00 0.00 0.00 23.12 20.10 2qtw s ALA 502 CO 0.01 -0.25 0.95 -1.14 0.00 0.00 0.00 175.76 175.33 2qtw s GLN 503 N -4.07 0.29 -1.46 0.00 0.74 0.34 -4.89 119.66 110.62 2qtw s GLN 503 Ca 0.59 0.60 -0.09 0.00 0.05 0.00 0.00 55.36 56.51 2qtw s GLN 503 Cb -0.10 0.35 0.05 0.00 1.10 0.00 0.00 33.01 34.41 2qtw s GLN 503 CO 0.31 -0.23 0.82 0.41 -0.55 0.00 0.00 175.29 176.06 2qtw n GLY 504 N 5.27 -0.51 2.29 2.59 0.00 -1.26 -2.09 105.19 111.48 2qtw n GLY 504 Ca -0.07 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2qtw n GLY 504 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qtw n GLY 505 N -1.61 1.12 3.01 -0.02 0.00 -1.26 -5.00 105.19 101.43 2qtw n GLY 505 Ca -0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2qtw n GLY 505 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qtw s LYS 506 N -2.87 0.15 0.10 1.61 2.20 -0.89 -5.12 119.74 114.93 2qtw s LYS 506 Ca 0.00 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2qtw s LYS 506 Cb 0.00 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.33 2qtw s LYS 506 CO 0.00 -0.02 0.91 -0.51 -0.36 0.00 0.00 175.35 175.36 2qtw s LEU 507 N 0.12 4.49 0.27 5.43 1.43 -1.26 -0.50 118.68 128.65 2qtw s LEU 507 Ca -0.00 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.90 2qtw s LEU 507 Cb -0.01 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 2qtw s LEU 507 CO -0.00 -0.03 -0.15 0.68 0.23 0.00 0.00 176.35 177.08 2qtw s VAL 508 N -0.08 2.10 -0.30 -1.59 -7.23 0.14 -4.67 120.40 108.78 2qtw s VAL 508 Ca 0.44 -2.28 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 2qtw s VAL 508 Cb -0.23 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2qtw s VAL 508 CO 0.28 -0.42 0.17 0.00 -0.31 0.00 0.00 175.10 174.82 2qtw s ARG 510 N 1.69 3.22 0.13 0.00 3.52 0.26 -0.64 118.95 127.13 2qtw s ARG 510 Ca 0.06 -0.76 0.10 0.00 -0.13 0.00 0.00 55.73 54.99 2qtw s ARG 510 Cb -0.16 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2qtw s ARG 510 CO 0.08 0.22 -0.20 0.00 -0.81 0.00 0.00 175.30 174.59 2qtw s ALA 511 N 0.30 2.61 -0.09 6.12 0.00 0.45 0.02 121.76 131.18 2qtw s ALA 511 Ca -0.13 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.45 2qtw s ALA 511 Cb -0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2qtw s ALA 511 CO 0.07 0.55 -0.24 -1.01 0.00 0.00 0.00 175.76 175.13 2qtw s HIS 512 N -1.23 2.50 0.50 0.00 0.09 -0.07 -0.79 115.29 116.29 2qtw s HIS 512 Ca 0.18 -0.95 -0.18 0.00 -0.00 0.00 0.00 55.06 54.11 2qtw s HIS 512 Cb -0.10 -1.66 -0.08 0.00 -0.00 0.00 0.00 32.58 30.74 2qtw s HIS 512 CO 0.09 -0.36 0.99 1.21 -0.00 0.00 0.00 174.74 176.68 2qtw s ASN 513 N 0.21 6.55 0.39 1.40 2.47 -0.64 -0.95 114.94 124.37 2qtw s ASN 513 Ca -0.15 1.67 -0.02 0.00 0.42 0.00 0.00 52.86 54.78 2qtw s ASN 513 Cb -0.17 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.07 2qtw s ASN 513 CO 0.07 -0.63 0.64 0.00 -3.72 0.00 0.00 177.10 173.46 2qtw s ALA 514 N -2.43 3.57 0.01 1.71 0.00 -1.14 -4.24 121.76 119.24 2qtw s ALA 514 Ca 0.61 -0.71 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 2qtw s ALA 514 Cb -0.11 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.59 2qtw s ALA 514 CO 0.27 -0.12 1.95 0.34 0.00 0.00 0.00 175.76 178.19 2qtw n PHE 515 N -1.88 2.48 -0.88 0.00 7.35 -1.26 -0.55 117.46 122.71 2qtw n PHE 515 Ca -0.02 -0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.38 2qtw n PHE 515 Cb 0.55 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.61 2qtw n PHE 515 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qtw n GLY 516 N 4.51 0.88 3.79 7.13 0.00 -1.26 -5.02 105.19 115.21 2qtw n GLY 516 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2qtw n GLY 516 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qtw s GLY 517 N -1.90 2.68 0.19 -0.02 0.00 0.28 -4.94 107.32 103.61 2qtw s GLY 517 Ca 0.00 0.67 0.22 0.00 0.00 0.00 0.00 44.72 45.62 2qtw s GLY 517 CO 0.00 1.07 1.68 -1.84 0.00 0.00 0.00 173.10 174.02 2qtw n GLU 518 N -0.28 0.16 0.00 2.90 0.00 -1.26 -4.59 120.64 117.56 2qtw n GLU 518 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 57.16 57.57 2qtw n GLU 518 Cb 0.50 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2qtw n GLU 518 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qtw n GLY 519 N 0.23 2.76 3.15 -1.84 0.00 -1.25 -2.57 105.19 105.67 2qtw n GLY 519 Ca 0.03 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 2qtw n GLY 519 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qtw s VAL 520 N -1.95 0.15 -0.07 1.61 -7.23 -1.26 -4.71 120.40 106.94 2qtw s VAL 520 Ca 0.00 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2qtw s VAL 520 Cb 0.00 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2qtw s VAL 520 CO 0.00 -0.69 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.76 2qtw s TYR 521 N -3.96 3.06 -0.08 2.82 2.02 -0.13 -1.01 117.35 120.07 2qtw s TYR 521 Ca 0.14 0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.85 2qtw s TYR 521 Cb 0.07 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 2qtw s TYR 521 CO -0.05 0.41 0.25 0.00 -1.57 0.00 0.00 175.55 174.60 2qtw s ALA 522 N -0.87 3.79 -0.31 3.71 0.00 -1.26 -1.98 121.76 124.83 2qtw s ALA 522 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2qtw s ALA 522 Cb -0.11 -2.16 0.10 0.00 0.00 0.00 0.00 23.12 20.95 2qtw s ALA 522 CO 0.03 0.52 0.11 0.42 0.00 0.00 0.00 175.76 176.83 2qtw s ILE 523 N -0.91 0.69 0.23 0.00 1.01 0.02 -0.51 121.20 121.73 2qtw s ILE 523 Ca 0.18 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 2qtw s ILE 523 Cb -0.14 -1.53 -0.08 0.00 0.01 0.00 0.00 42.46 40.72 2qtw s ILE 523 CO 0.07 -0.70 0.68 0.00 0.00 0.00 0.00 174.94 175.00 2qtw s ALA 524 N 1.69 3.44 -0.37 9.38 0.00 -0.05 -0.44 121.76 135.40 2qtw s ALA 524 Ca 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 2qtw s ALA 524 Cb -0.17 -2.72 0.04 0.00 0.00 0.00 0.00 23.12 20.27 2qtw s ALA 524 CO -0.27 0.37 0.17 0.50 0.00 0.00 0.00 175.76 176.53 2qtw s ARG 525 N -2.25 2.70 -0.15 0.00 6.06 -0.64 -0.24 118.95 124.42 2qtw s ARG 525 Ca 0.45 -1.19 -0.02 0.00 -2.50 0.00 0.00 55.73 52.47 2qtw s ARG 525 Cb -0.15 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.22 2qtw s ARG 525 CO 0.20 -0.73 -0.09 0.00 -2.50 0.00 0.00 175.30 172.18 2qtw s LEU 528 N -1.96 5.12 -0.37 0.00 1.43 -0.03 -0.52 118.68 122.35 2qtw s LEU 528 Ca -0.03 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 2qtw s LEU 528 Cb -0.07 -2.36 0.15 0.00 0.03 0.00 0.00 46.19 43.94 2qtw s LEU 528 CO -0.00 -0.74 0.24 -0.22 0.23 0.00 0.00 176.35 175.86 2qtw s LEU 529 N 2.23 1.16 0.43 1.79 2.96 -1.26 -4.21 118.68 121.78 2qtw s LEU 529 Ca 0.11 -2.39 -0.22 0.00 -0.22 0.00 0.00 54.13 51.42 2qtw s LEU 529 Cb -0.20 -0.44 -0.09 0.00 0.50 0.00 0.00 46.19 45.96 2qtw s LEU 529 CO 0.11 -0.28 1.02 -2.16 -1.32 0.00 0.00 176.35 173.72 2qtw s PRO 530 N 0.83 4.06 0.00 0.98 0.04 -1.26 -3.47 135.00 136.18 2qtw s PRO 530 Ca 0.21 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2qtw s PRO 530 Cb -0.18 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2qtw s PRO 530 CO -0.03 -0.20 0.00 1.04 0.04 0.00 0.00 177.00 177.85 2qtw n GLN 531 N -0.50 -0.19 -2.74 4.56 1.13 -1.26 -5.00 117.38 113.38 2qtw n GLN 531 Ca 0.07 0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.77 2qtw n GLN 531 Cb 0.52 -3.17 -0.05 0.00 0.11 0.00 0.00 30.24 27.64 2qtw n GLN 531 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qtw s ALA 532 N -2.68 3.31 -0.34 -1.58 0.00 -1.23 -4.74 121.76 114.50 2qtw s ALA 532 Ca 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2qtw s ALA 532 Cb 0.00 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.97 2qtw s ALA 532 CO 0.00 0.13 0.08 -0.80 0.00 0.00 0.00 175.76 175.16 2qtw s ASN 533 N -0.80 4.97 0.02 0.00 0.01 -0.49 -4.97 114.94 113.68 2qtw s ASN 533 Ca 0.43 -1.73 0.05 0.00 -0.71 0.00 0.00 52.86 50.90 2qtw s ASN 533 Cb -0.25 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2qtw s ASN 533 CO 0.31 -0.38 -0.10 0.00 -1.51 0.00 0.00 177.10 175.42 2qtw s SER 535 N -1.49 0.89 -0.04 0.00 1.04 0.11 -4.97 113.70 109.24 2qtw s SER 535 Ca 0.17 -1.56 0.07 0.00 0.48 0.00 0.00 55.95 55.10 2qtw s SER 535 Cb -0.11 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 2qtw s SER 535 CO 0.07 -0.96 -0.25 -0.69 0.98 0.00 0.00 173.24 172.40 2qtw s VAL 536 N -3.80 2.12 -0.16 5.02 1.01 -1.26 -0.97 120.40 122.37 2qtw s VAL 536 Ca 0.40 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2qtw s VAL 536 Cb 0.05 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2qtw s VAL 536 CO 0.20 0.58 -0.16 -1.00 0.00 0.00 0.00 175.10 174.71 2qtw s HIS 537 N -0.38 2.77 0.02 5.22 3.76 0.00 -4.94 115.29 121.73 2qtw s HIS 537 Ca 0.03 -1.15 0.08 0.00 -0.15 0.00 0.00 55.06 53.88 2qtw s HIS 537 Cb -0.12 -1.89 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 2qtw s HIS 537 CO 0.01 -0.54 -0.25 0.99 -0.85 0.00 0.00 174.74 174.11 2qtw s THR 538 N 0.89 2.03 -0.02 1.30 2.01 -1.26 -0.15 115.64 120.45 2qtw s THR 538 Ca -0.04 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 60.75 2qtw s THR 538 Cb -0.15 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2qtw s THR 538 CO -0.02 0.44 -0.10 0.00 -0.69 0.00 0.00 174.62 174.24 2qtw s ALA 539 N -0.71 0.92 0.95 7.40 0.00 -0.11 -5.00 121.76 125.21 2qtw s ALA 539 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 2qtw s ALA 539 Cb -0.10 -0.29 0.16 0.00 0.00 0.00 0.00 23.12 22.89 2qtw s ALA 539 CO 0.01 0.19 1.16 -1.25 0.00 0.00 0.00 175.76 175.86 2qtw s PRO 540 N -0.02 0.85 0.17 0.00 0.04 -1.26 -0.52 135.00 134.27 2qtw s PRO 540 Ca 0.00 0.16 -0.33 0.00 0.04 0.00 0.00 61.00 60.87 2qtw s PRO 540 Cb -0.07 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.52 2qtw s PRO 540 CO 0.00 -2.37 1.55 -2.30 0.04 0.00 0.00 177.00 173.92 2qtw n PRO 541 N -3.86 2.13 -0.07 0.56 -0.02 -1.23 -4.72 135.00 127.78 2qtw n PRO 541 Ca 0.08 0.77 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 2qtw n PRO 541 Cb 0.59 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 2qtw n PRO 541 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qtw h ALA 542 N 5.62 0.43 -0.00 3.55 0.00 -1.61 -3.48 119.26 123.77 2qtw h ALA 542 Ca -0.45 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 2qtw h ALA 542 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qtw h ALA 542 CO 0.87 0.67 -0.00 0.39 0.00 0.00 0.00 179.25 181.17 2qtw n GLU 543 N -4.01 -0.11 -3.64 0.00 -0.58 0.80 -5.00 120.64 108.10 2qtw n GLU 543 Ca -0.05 0.05 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2qtw n GLU 543 Cb 0.64 -3.16 -0.06 0.00 -0.57 0.00 0.00 31.44 28.29 2qtw n GLU 543 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qtw s ALA 544 N -1.95 -1.96 0.00 0.62 0.00 -1.26 -4.96 121.76 112.25 2qtw s ALA 544 Ca 0.00 2.39 0.00 0.00 0.00 0.00 0.00 51.96 54.35 2qtw s ALA 544 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2qtw s ALA 544 CO 0.00 -0.62 0.00 0.45 0.00 0.00 0.00 175.76 175.59 2qtw n SER 545 N 4.80 0.00 -0.18 0.00 2.88 -1.26 -3.86 113.62 115.99 2qtw n SER 545 Ca -0.17 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.39 2qtw n SER 545 Cb 0.55 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.05 2qtw n SER 545 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2qtw n MET 546 N 0.00 1.23 -0.12 -1.46 2.81 -1.26 -5.00 117.12 113.32 2qtw n MET 546 Ca 0.00 -0.36 0.02 0.00 -1.81 0.00 0.00 57.70 55.55 2qtw n MET 546 Cb 0.00 -1.08 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2qtw n MET 546 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qtw n GLY 547 N 0.66 -2.23 3.81 3.03 0.00 -1.25 -4.86 105.19 104.35 2qtw n GLY 547 Ca 0.03 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 2qtw n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qtw s THR 548 N -1.07 5.24 0.01 2.61 2.01 -0.35 -4.74 115.64 119.36 2qtw s THR 548 Ca 0.00 0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 2qtw s THR 548 Cb 0.00 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 2qtw s THR 548 CO 0.00 0.52 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.31 2qtw s ARG 549 N -0.54 0.26 -0.08 4.92 0.52 -1.26 0.60 118.95 123.36 2qtw s ARG 549 Ca 0.19 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.74 2qtw s ARG 549 Cb -0.14 0.09 0.04 0.00 0.52 0.00 0.00 34.95 35.46 2qtw s ARG 549 CO 0.08 -0.04 0.47 0.54 0.02 0.00 0.00 175.30 176.36 2qtw s VAL 550 N -1.15 0.02 0.07 3.52 0.11 -0.85 -4.78 120.40 117.35 2qtw s VAL 550 Ca -0.13 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2qtw s VAL 550 Cb -0.08 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2qtw s VAL 550 CO -0.01 -0.10 -0.05 -1.38 -3.33 0.00 0.00 175.10 170.24 2qtw s HIS 551 N -0.72 0.66 -0.84 1.54 -3.43 -1.26 -0.62 115.29 110.62 2qtw s HIS 551 Ca -0.08 -0.97 -0.25 0.00 -0.80 0.00 0.00 55.06 52.95 2qtw s HIS 551 Cb -0.03 -0.43 0.04 0.00 -1.43 0.00 0.00 32.58 30.72 2qtw s HIS 551 CO 0.04 -0.27 1.34 0.00 -2.00 0.00 0.00 174.74 173.85 2qtw h HIS 553 N 9.94 0.00 -3.85 0.00 2.07 -1.94 -3.47 115.15 117.90 2qtw h HIS 553 Ca -0.11 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.88 2qtw h HIS 553 Cb 1.04 0.00 0.10 0.00 2.57 0.00 0.00 27.41 31.11 2qtw h HIS 553 CO 1.18 0.85 0.78 -0.65 -3.07 0.00 0.00 177.93 177.02 2qtw s GLN 554 N -2.77 4.14 0.22 5.12 -0.21 -1.26 -4.94 119.66 119.95 2qtw s GLN 554 Ca 0.01 2.53 -0.32 0.00 0.02 0.00 0.00 55.36 57.60 2qtw s GLN 554 Cb 0.09 -2.99 -0.13 0.00 1.00 0.00 0.00 33.01 30.98 2qtw s GLN 554 CO 0.80 -0.51 1.47 1.04 -2.12 0.00 0.00 175.29 175.97 2qtw n GLN 555 N 0.73 2.09 -0.49 2.91 6.02 -1.26 -2.73 117.38 124.65 2qtw n GLN 555 Ca 0.02 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2qtw n GLN 555 Cb 0.39 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.21 2qtw n GLN 555 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qtw n GLY 556 N 2.54 1.37 3.87 1.08 0.00 -1.26 -5.02 105.19 107.77 2qtw n GLY 556 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2qtw n GLY 556 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qtw s HIS 557 N -2.87 3.42 -0.05 1.61 -3.43 -1.11 -4.59 115.29 108.28 2qtw s HIS 557 Ca 0.00 0.91 0.02 0.00 -0.80 0.00 0.00 55.06 55.19 2qtw s HIS 557 Cb 0.00 -2.30 -0.03 0.00 -1.43 0.00 0.00 32.58 28.82 2qtw s HIS 557 CO 0.00 0.21 -0.07 0.14 -2.00 0.00 0.00 174.74 173.02 2qtw s VAL 558 N -1.90 3.67 -0.11 -5.38 -7.23 0.06 -4.89 120.40 104.62 2qtw s VAL 558 Ca 0.48 -0.56 -0.27 0.00 -1.81 0.00 0.00 61.98 59.82 2qtw s VAL 558 Cb -0.11 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2qtw s VAL 558 CO 0.22 0.55 0.89 -0.22 -0.31 0.00 0.00 175.10 176.23 2qtw s LEU 559 N -0.96 4.25 -0.00 1.32 2.96 -1.26 -1.00 118.68 123.99 2qtw s LEU 559 Ca 0.14 1.37 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 2qtw s LEU 559 Cb -0.11 -3.37 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 2qtw s LEU 559 CO 0.03 -0.35 0.32 0.35 -1.32 0.00 0.00 176.35 175.37 2qtw n THR 560 N 4.41 0.00 -3.64 3.68 -2.24 -0.23 -4.99 114.28 111.26 2qtw n THR 560 Ca 0.05 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 2qtw n THR 560 Cb 0.49 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 2qtw n THR 560 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qtw s GLY 561 N -2.05 0.10 -0.07 3.38 0.00 -1.16 -2.57 107.32 104.94 2qtw s GLY 561 Ca 0.02 3.11 0.03 0.00 0.00 0.00 0.00 44.72 47.88 2qtw s GLY 561 CO 0.35 2.05 -0.15 0.00 0.00 0.00 0.00 173.10 175.34 2qtw s SER 563 N -0.37 2.08 -0.15 0.00 0.01 0.48 -4.68 113.70 111.07 2qtw s SER 563 Ca 0.04 -1.10 -0.10 0.00 1.31 0.00 0.00 55.95 56.10 2qtw s SER 563 Cb -0.12 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.11 2qtw s SER 563 CO 0.02 -0.36 0.38 -0.55 0.41 0.00 0.00 173.24 173.15 2qtw s SER 564 N -3.27 -0.44 0.16 2.44 0.15 -1.16 0.20 113.70 111.78 2qtw s SER 564 Ca 0.23 0.80 0.06 0.00 0.70 0.00 0.00 55.95 57.74 2qtw s SER 564 Cb 0.03 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2qtw s SER 564 CO 0.06 -0.16 -0.13 -1.38 1.20 0.00 0.00 173.24 172.82 2qtw s HIS 565 N 0.89 1.47 0.14 3.44 -3.43 -0.99 -1.25 115.29 115.57 2qtw s HIS 565 Ca -0.06 -0.64 0.04 0.00 -0.80 0.00 0.00 55.06 53.60 2qtw s HIS 565 Cb -0.06 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.32 2qtw s HIS 565 CO -0.07 0.21 -0.08 1.67 -2.00 0.00 0.00 174.74 174.47 2qtw s TRP 566 N -2.92 1.17 -0.76 0.38 -2.14 -0.50 -0.14 118.94 114.04 2qtw s TRP 566 Ca 0.17 -0.82 0.08 0.00 2.66 0.00 0.00 56.10 58.19 2qtw s TRP 566 Cb -0.00 -0.62 -0.00 0.00 -3.10 0.00 0.00 33.47 29.74 2qtw s TRP 566 CO 0.04 -0.00 0.57 0.39 -2.66 0.00 0.00 176.95 175.29 2qtw n GLU 567 N -0.17 2.16 -2.40 3.25 1.02 -1.26 -4.79 120.64 118.46 2qtw n GLU 567 Ca -0.10 -0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 56.17 2qtw n GLU 567 Cb 0.61 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.97 2qtw n GLU 567 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qtw s VAL 568 N -1.19 4.56 0.24 2.62 0.11 -1.26 -4.98 120.40 120.50 2qtw s VAL 568 Ca 0.07 1.17 -0.00 0.00 -2.93 0.00 0.00 61.98 60.28 2qtw s VAL 568 Cb 0.07 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2qtw s VAL 568 CO 0.20 -0.70 1.65 -0.33 -3.33 0.00 0.00 175.10 172.59 2qtw h GLU 569 N 0.88 0.56 -2.88 1.54 4.39 -2.00 -3.47 114.58 113.60 2qtw h GLU 569 Ca -0.47 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.06 2qtw h GLU 569 Cb 1.18 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 2qtw h GLU 569 CO 0.62 0.81 0.27 0.34 -1.16 0.00 0.00 179.01 179.89 2qtw s ASP 570 N -6.82 -0.29 1.07 1.42 -1.08 -1.26 -4.96 116.67 104.75 2qtw s ASP 570 Ca -0.07 -0.48 -0.05 0.00 -0.52 0.00 0.00 52.55 51.42 2qtw s ASP 570 Cb 0.13 0.67 0.07 0.00 -1.46 0.00 0.00 42.92 42.33 2qtw s ASP 570 CO 0.81 -1.21 0.21 0.00 0.52 0.00 0.00 175.17 175.50 2qtw n LEU 571 N -0.45 0.00 -0.45 -1.34 -0.00 -1.26 -5.12 117.00 108.38 2qtw n LEU 571 Ca -0.06 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 2qtw n LEU 571 Cb 0.60 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2qtw n LEU 571 CO 0.14 -1.47 0.00 0.00 -0.00 0.00 0.00 177.39 176.06 2qtw n GLN 584 N -2.46 0.00 -1.31 1.47 6.02 -1.26 -5.09 117.38 114.75 2qtw n GLN 584 Ca 0.03 0.20 -0.51 0.00 -0.01 0.00 0.00 57.00 56.71 2qtw n GLN 584 Cb 0.13 -0.25 -0.07 0.00 1.02 0.00 0.00 30.24 31.07 2qtw n GLN 584 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2qtw n PRO 585 N 1.53 0.00 -1.68 -1.09 -0.02 -1.26 -2.21 135.00 130.27 2qtw n PRO 585 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2qtw n PRO 585 Cb 0.00 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 2qtw n PRO 585 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qtw n ASN 586 N 1.85 -4.36 -4.38 2.55 3.02 -1.26 -4.82 115.26 107.86 2qtw n ASN 586 Ca 0.19 0.20 -0.32 0.00 -0.03 0.00 0.00 54.58 54.62 2qtw n ASN 586 Cb 0.03 -3.19 -0.14 0.00 -0.61 0.00 0.00 39.78 35.87 2qtw n ASN 586 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2qtw s GLN 587 N -3.64 2.81 -0.03 3.52 0.74 -0.94 -0.33 119.66 121.80 2qtw s GLN 587 Ca 0.00 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.65 2qtw s GLN 587 Cb 0.00 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2qtw s GLN 587 CO 0.00 0.42 0.06 0.00 -0.55 0.00 0.00 175.29 175.22 2qtw s VAL 589 N -1.11 1.18 0.52 0.00 1.01 -1.26 -2.00 120.40 118.75 2qtw s VAL 589 Ca 0.20 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2qtw s VAL 589 Cb -0.12 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 2qtw s VAL 589 CO 0.10 0.37 0.02 -0.83 0.00 0.00 0.00 175.10 174.77 2qtw s GLY 590 N 0.78 3.04 0.60 4.51 0.00 0.20 -4.64 107.32 111.82 2qtw s GLY 590 Ca -0.12 -0.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.18 2qtw s GLY 590 CO 0.02 -2.20 1.29 -1.58 0.00 0.00 0.00 173.10 170.64 2qtw s HIS 591 N -2.89 2.22 0.46 1.90 2.46 -1.26 -1.21 115.29 116.98 2qtw s HIS 591 Ca 0.04 1.46 0.29 0.00 0.47 0.00 0.00 55.06 57.32 2qtw s HIS 591 Cb 0.01 -3.67 1.59 0.00 -0.13 0.00 0.00 32.58 30.37 2qtw s HIS 591 CO 0.02 -2.72 2.13 0.07 -2.47 0.00 0.00 174.74 171.77 2qtw h ARG 592 N 0.91 0.00 -0.33 2.88 0.11 -1.92 -0.44 114.38 115.58 2qtw h ARG 592 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2qtw h ARG 592 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2qtw h ARG 592 CO 0.55 0.08 0.00 0.39 0.10 0.00 0.00 179.97 181.09 2qtw n GLU 593 N -3.65 2.28 -4.24 0.08 1.02 -1.26 -0.14 120.64 114.73 2qtw n GLU 593 Ca -0.02 -1.93 -0.29 0.00 -0.02 0.00 0.00 57.16 54.90 2qtw n GLU 593 Cb 0.19 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 2qtw n GLU 593 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtw s ALA 594 N -1.57 2.95 0.47 0.62 0.00 -0.17 -4.56 121.76 119.49 2qtw s ALA 594 Ca 0.37 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 2qtw s ALA 594 Cb 0.21 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 2qtw s ALA 594 CO 0.30 0.59 0.94 -1.12 0.00 0.00 0.00 175.76 176.47 2qtw s SER 595 N -2.38 6.74 -0.01 0.00 0.01 0.81 -3.58 113.70 115.29 2qtw s SER 595 Ca 0.22 1.57 0.04 0.00 1.31 0.00 0.00 55.95 59.09 2qtw s SER 595 Cb -0.10 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2qtw s SER 595 CO 0.14 -0.47 -0.14 -0.51 0.41 0.00 0.00 173.24 172.67 2qtw s ILE 596 N -2.41 1.14 -0.05 1.44 1.10 0.32 -2.34 121.20 120.41 2qtw s ILE 596 Ca 0.59 -0.61 0.01 0.00 -0.51 0.00 0.00 60.65 60.14 2qtw s ILE 596 Cb -0.10 -0.96 0.02 0.00 0.15 0.00 0.00 42.46 41.57 2qtw s ILE 596 CO 0.24 0.33 -0.07 -1.00 -2.11 0.00 0.00 174.94 172.32 2qtw s HIS 597 N -0.27 1.03 -0.10 3.50 3.76 0.13 -0.93 115.29 122.42 2qtw s HIS 597 Ca 0.04 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2qtw s HIS 597 Cb -0.06 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 2qtw s HIS 597 CO -0.00 -0.23 -0.17 0.00 -0.85 0.00 0.00 174.74 173.49 2qtw s ALA 598 N 0.84 2.50 -0.27 -1.40 0.00 0.79 -0.38 121.76 123.83 2qtw s ALA 598 Ca -0.12 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.70 2qtw s ALA 598 Cb -0.15 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2qtw s ALA 598 CO 0.01 0.35 0.57 0.45 0.00 0.00 0.00 175.76 177.14 2qtw s SER 599 N 0.03 6.48 -0.14 0.00 0.15 0.70 -0.82 113.70 120.11 2qtw s SER 599 Ca -0.06 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.14 2qtw s SER 599 Cb -0.15 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2qtw s SER 599 CO 0.05 -0.36 -0.22 0.00 1.20 0.00 0.00 173.24 173.91 2qtw s HIS 602 N -0.36 3.04 -0.39 0.00 2.46 0.13 -0.76 115.29 119.41 2qtw s HIS 602 Ca 0.04 -0.06 0.03 0.00 0.47 0.00 0.00 55.06 55.55 2qtw s HIS 602 Cb -0.10 -3.43 0.16 0.00 -0.13 0.00 0.00 32.58 29.08 2qtw s HIS 602 CO 0.00 -0.92 0.35 0.00 -2.47 0.00 0.00 174.74 171.71 2qtw s ALA 603 N 2.91 0.37 0.30 1.58 0.00 -1.26 -1.40 121.76 124.26 2qtw s ALA 603 Ca 0.23 -1.64 0.18 0.00 0.00 0.00 0.00 51.96 50.73 2qtw s ALA 603 Cb -0.14 -1.84 0.83 0.00 0.00 0.00 0.00 23.12 21.96 2qtw s ALA 603 CO 0.19 -2.09 1.83 -1.35 0.00 0.00 0.00 175.76 174.34 2qtw h PRO 604 N 6.41 0.00 0.00 0.00 0.11 -1.89 0.30 132.00 136.93 2qtw h PRO 604 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2qtw h PRO 604 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qtw h PRO 604 CO 0.25 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 2qtw n GLY 605 N -0.21 -0.71 3.34 -0.55 0.00 -1.26 -4.84 105.19 100.96 2qtw n GLY 605 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2qtw n GLY 605 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qtw s LEU 606 N -1.08 2.73 -0.10 0.99 2.96 0.09 0.15 118.68 124.43 2qtw s LEU 606 Ca 0.03 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2qtw s LEU 606 Cb 0.01 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2qtw s LEU 606 CO 0.02 0.11 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.43 2qtw s GLU 607 N 0.66 3.11 0.04 1.98 2.12 -0.25 -4.90 118.70 121.45 2qtw s GLU 607 Ca -0.06 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.82 2qtw s GLU 607 Cb -0.15 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.47 2qtw s GLU 607 CO 0.02 0.54 -0.14 0.00 -0.54 0.00 0.00 175.26 175.14 2qtw s LYS 609 N -1.14 1.18 -0.13 0.00 1.02 0.65 -4.96 119.74 116.35 2qtw s LYS 609 Ca 0.02 -1.56 0.01 0.00 0.02 0.00 0.00 55.97 54.46 2qtw s LYS 609 Cb -0.08 -0.51 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 2qtw s LYS 609 CO 0.01 -0.05 -0.18 0.08 -0.92 0.00 0.00 175.35 174.29 2qtw s VAL 610 N -3.47 2.54 -0.09 3.17 1.01 -1.26 -0.79 120.40 121.50 2qtw s VAL 610 Ca 0.23 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2qtw s VAL 610 Cb 0.05 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 2qtw s VAL 610 CO 0.05 0.53 -0.24 -0.75 0.00 0.00 0.00 175.10 174.69 2qtw s LYS 611 N 0.56 2.99 0.11 2.72 2.20 -0.02 -4.98 119.74 123.33 2qtw s LYS 611 Ca -0.11 -0.88 0.10 0.00 -0.36 0.00 0.00 55.97 54.72 2qtw s LYS 611 Cb -0.16 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.83 2qtw s LYS 611 CO 0.04 0.21 -0.22 -1.21 -0.36 0.00 0.00 175.35 173.81 2qtw s GLU 612 N 0.27 1.66 -0.19 4.03 2.02 -1.26 -0.52 118.70 124.70 2qtw s GLU 612 Ca -0.17 -1.23 -0.12 0.00 0.02 0.00 0.00 54.97 53.48 2qtw s GLU 612 Cb -0.17 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.08 2qtw s GLU 612 CO 0.08 0.47 0.48 -1.58 0.02 0.00 0.00 175.26 174.74 2qtw s HIS 613 N -1.09 -0.68 0.06 1.61 2.46 0.54 -5.00 115.29 113.19 2qtw s HIS 613 Ca 0.16 1.46 0.02 0.00 0.47 0.00 0.00 55.06 57.16 2qtw s HIS 613 Cb -0.10 0.32 -0.03 0.00 -0.13 0.00 0.00 32.58 32.64 2qtw s HIS 613 CO 0.08 -0.36 -0.06 0.20 -2.47 0.00 0.00 174.74 172.12 2qtw s GLY 614 N 1.21 0.54 0.15 1.59 0.00 -1.26 0.33 107.32 109.88 2qtw s GLY 614 Ca -0.08 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.63 2qtw s GLY 614 CO -0.11 -1.02 0.22 -0.26 0.00 0.00 0.00 173.10 171.93 2qtw s ILE 615 N -2.21 0.08 0.00 0.90 -4.36 -0.13 -4.95 121.20 110.54 2qtw s ILE 615 Ca -0.03 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 2qtw s ILE 615 Cb -0.04 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.84 2qtw s ILE 615 CO -0.02 -0.38 0.00 -2.65 0.24 0.00 0.00 174.94 172.13 2qtw n PRO 616 N -0.17 0.00 0.00 0.37 -0.02 -1.26 -0.54 135.00 133.38 2qtw n PRO 616 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2qtw n PRO 616 Cb 0.63 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2qtw n PRO 616 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qtw n GLN 619 N 0.00 0.00 0.08 -0.52 1.13 -1.26 -4.83 117.38 111.98 2qtw n GLN 619 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 2qtw n GLN 619 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 2qtw n GLN 619 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2qtw h GLU 620 N 0.00 0.00 -2.02 -1.09 4.81 -1.90 -3.40 114.58 110.97 2qtw h GLU 620 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2qtw h GLU 620 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 2qtw h GLU 620 CO 0.00 0.41 -0.02 -1.14 -0.73 0.00 0.00 179.01 177.53 2qtw s GLN 621 N -2.94 0.67 0.16 1.92 0.74 -1.26 -1.83 119.66 117.12 2qtw s GLN 621 Ca 0.01 1.26 0.11 0.00 0.05 0.00 0.00 55.36 56.78 2qtw s GLN 621 Cb 0.08 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 2qtw s GLN 621 CO 0.78 -0.16 -0.25 0.54 -0.55 0.00 0.00 175.29 175.65 2qtw s VAL 622 N 1.87 2.31 -0.07 1.34 0.11 0.22 -4.97 120.40 121.21 2qtw s VAL 622 Ca -0.09 -1.89 -0.06 0.00 -2.93 0.00 0.00 61.98 57.01 2qtw s VAL 622 Cb -0.06 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.74 2qtw s VAL 622 CO -0.20 -0.01 0.18 -0.89 -3.33 0.00 0.00 175.10 170.85 2qtw s THR 623 N -1.37 -0.01 -0.13 5.04 2.01 -1.26 -0.04 115.64 119.88 2qtw s THR 623 Ca 0.17 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 2qtw s THR 623 Cb -0.09 -0.27 0.05 0.00 0.01 0.00 0.00 72.50 72.20 2qtw s THR 623 CO 0.08 0.02 0.32 0.54 -0.69 0.00 0.00 174.62 174.89 2qtw s VAL 624 N 0.44 -0.05 -0.06 3.82 0.11 -0.70 -4.84 120.40 119.13 2qtw s VAL 624 Ca -0.03 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.16 2qtw s VAL 624 Cb -0.04 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2qtw s VAL 624 CO -0.02 0.05 -0.06 0.00 -3.33 0.00 0.00 175.10 171.74 2qtw s ALA 625 N 1.36 3.01 0.78 1.54 0.00 -1.26 0.32 121.76 127.51 2qtw s ALA 625 Ca -0.09 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 2qtw s ALA 625 Cb -0.10 -1.24 0.07 0.00 0.00 0.00 0.00 23.12 21.86 2qtw s ALA 625 CO -0.10 0.58 1.13 0.00 0.00 0.00 0.00 175.76 177.36 2qtw s GLU 627 N -4.51 3.66 0.24 0.00 0.41 -1.26 -4.91 118.70 112.32 2qtw s GLU 627 Ca 0.66 1.14 -0.31 0.00 -0.41 0.00 0.00 54.97 56.04 2qtw s GLU 627 Cb -0.21 -2.09 -0.14 0.00 -1.78 0.00 0.00 34.13 29.92 2qtw s GLU 627 CO 0.52 -0.53 1.38 -1.91 -0.49 0.00 0.00 175.26 174.23 2qtw n GLU 628 N -1.64 1.95 -0.44 1.61 2.13 -1.26 -0.90 120.64 122.09 2qtw n GLU 628 Ca 0.08 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2qtw n GLU 628 Cb 0.53 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2qtw n GLU 628 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qtw n GLY 629 N 2.11 1.04 3.70 8.31 0.00 -1.26 -5.04 105.19 114.05 2qtw n GLY 629 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2qtw n GLY 629 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qtw s TRP 630 N -3.03 3.03 -0.20 1.61 0.52 -0.07 -4.79 118.94 116.00 2qtw s TRP 630 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 56.10 56.10 2qtw s TRP 630 Cb 0.00 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2qtw s TRP 630 CO 0.00 0.48 -0.06 0.99 0.02 0.00 0.00 176.95 178.38 2qtw s THR 631 N -1.27 3.27 0.04 2.01 2.01 0.10 -4.74 115.64 117.06 2qtw s THR 631 Ca 0.25 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2qtw s THR 631 Cb -0.12 -2.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.85 2qtw s THR 631 CO 0.17 0.45 1.79 -0.22 -0.69 0.00 0.00 174.62 176.12 2qtw s LEU 632 N 1.24 4.39 -0.17 4.42 2.96 -1.26 -1.00 118.68 129.25 2qtw s LEU 632 Ca 0.03 2.55 0.13 0.00 -0.22 0.00 0.00 54.13 56.62 2qtw s LEU 632 Cb -0.14 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.80 2qtw s LEU 632 CO -0.02 -0.97 0.03 0.35 -1.32 0.00 0.00 176.35 174.41 2qtw n THR 633 N 5.15 1.15 -3.90 3.68 -2.24 0.07 -4.88 114.28 113.30 2qtw n THR 633 Ca 0.18 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2qtw n THR 633 Cb 0.41 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 2qtw n THR 633 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qtw s GLY 634 N -5.16 0.08 -0.07 3.38 0.00 -1.06 -3.64 107.32 100.84 2qtw s GLY 634 Ca -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 2qtw s GLY 634 CO 0.65 -0.26 0.14 0.00 0.00 0.00 0.00 173.10 173.64 2qtw s SER 636 N 1.65 -0.21 -0.15 0.00 1.04 -0.67 -4.70 113.70 110.67 2qtw s SER 636 Ca -0.04 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 2qtw s SER 636 Cb -0.12 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2qtw s SER 636 CO -0.06 -1.08 0.07 0.00 0.98 0.00 0.00 173.24 173.16 2qtw s ALA 637 N -3.91 3.51 0.31 5.32 0.00 -1.26 -0.70 121.76 125.03 2qtw s ALA 637 Ca 0.12 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2qtw s ALA 637 Cb -0.01 -1.84 -0.13 0.00 0.00 0.00 0.00 23.12 21.14 2qtw s ALA 637 CO 0.00 0.38 1.23 -0.11 0.00 0.00 0.00 175.76 177.26 2qtw n LEU 638 N 2.84 2.96 -4.55 0.00 7.94 -0.24 -4.97 117.00 120.97 2qtw n LEU 638 Ca -0.18 1.19 -0.39 0.00 -1.11 0.00 0.00 56.01 55.52 2qtw n LEU 638 Cb 0.53 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 2qtw n LEU 638 CO 0.33 -0.75 1.33 -2.16 -1.11 0.00 0.00 177.39 175.03 2qtw s PRO 639 N -1.50 3.09 -0.18 1.96 0.04 -1.26 -4.71 135.00 132.43 2qtw s PRO 639 Ca 0.59 -0.21 0.11 0.00 0.04 0.00 0.00 61.00 61.53 2qtw s PRO 639 Cb -0.62 -4.50 -0.23 0.00 0.04 0.00 0.00 34.50 29.19 2qtw s PRO 639 CO 0.59 -2.38 0.12 0.43 0.04 0.00 0.00 177.00 175.81 2qtw n SER 642 N 10.36 0.80 -4.38 6.66 7.64 -1.26 -5.04 113.62 128.41 2qtw n SER 642 Ca 0.15 0.05 -0.45 0.00 1.01 0.00 0.00 58.87 59.63 2qtw n SER 642 Cb 0.50 0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.96 2qtw n SER 642 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2qtw s HIS 643 N -2.52 3.23 0.00 1.43 2.46 -1.26 -5.07 115.29 113.56 2qtw s HIS 643 Ca -0.16 -0.97 -0.19 0.00 0.47 0.00 0.00 55.06 54.22 2qtw s HIS 643 Cb 0.07 -3.33 -0.06 0.00 -0.13 0.00 0.00 32.58 29.13 2qtw s HIS 643 CO 0.77 -0.87 0.53 0.14 -2.47 0.00 0.00 174.74 172.84 2qtw s VAL 644 N 1.73 4.93 0.17 0.89 -7.23 -1.26 -2.06 120.40 117.56 2qtw s VAL 644 Ca 0.05 1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 61.32 2qtw s VAL 644 Cb -0.25 -3.86 -0.13 0.00 0.56 0.00 0.00 36.38 32.70 2qtw s VAL 644 CO 0.06 0.47 1.40 -0.07 -0.31 0.00 0.00 175.10 176.65 2qtw h LEU 645 N 5.31 0.44 0.00 1.32 4.07 -0.07 -3.45 115.31 122.93 2qtw h LEU 645 Ca -0.47 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.18 2qtw h LEU 645 Cb 1.20 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2qtw h LEU 645 CO 0.67 1.07 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 2qtw n GLY 646 N 0.70 -2.01 3.04 0.83 0.00 -1.09 -1.63 105.19 105.02 2qtw n GLY 646 Ca -0.05 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 2qtw n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtw s ALA 647 N -1.49 -0.09 -0.14 4.61 0.00 -0.96 -0.51 121.76 123.18 2qtw s ALA 647 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2qtw s ALA 647 Cb 0.00 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.32 2qtw s ALA 647 CO 0.00 -0.18 0.72 1.52 0.00 0.00 0.00 175.76 177.82 2qtw s TYR 648 N -1.38 -0.69 0.04 0.00 1.13 0.07 -3.93 117.35 112.59 2qtw s TYR 648 Ca -0.15 1.41 -0.30 0.00 -1.41 0.00 0.00 57.07 56.62 2qtw s TYR 648 Cb -0.09 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2qtw s TYR 648 CO 0.00 -0.50 0.99 0.00 -2.51 0.00 0.00 175.55 173.53 2qtw s ALA 649 N -0.57 3.20 -0.32 9.51 0.00 -1.26 -0.05 121.76 132.27 2qtw s ALA 649 Ca -0.06 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2qtw s ALA 649 Cb -0.02 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.85 2qtw s ALA 649 CO 0.06 -0.19 0.01 0.08 0.00 0.00 0.00 175.76 175.72 2qtw s VAL 650 N 0.72 2.58 0.00 0.00 1.01 0.15 -4.87 120.40 120.00 2qtw s VAL 650 Ca 0.51 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2qtw s VAL 650 Cb -0.22 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2qtw s VAL 650 CO 0.29 -0.31 0.00 -0.67 0.00 0.00 0.00 175.10 174.41 2qtw n ASP 651 N 4.45 0.00 -1.12 3.32 2.03 -1.26 -1.07 116.55 122.91 2qtw n ASP 651 Ca -0.07 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.25 2qtw n ASP 651 Cb 0.42 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.06 2qtw n ASP 651 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2qtw n ASN 652 N 9.04 3.36 -4.31 1.67 3.02 -1.26 -4.68 115.26 122.09 2qtw n ASN 652 Ca 0.00 -3.36 -0.33 0.00 -0.03 0.00 0.00 54.58 50.86 2qtw n ASN 652 Cb 0.00 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.41 2qtw n ASN 652 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qtw s THR 653 N -3.03 2.78 -0.19 3.41 2.01 -0.24 -1.19 115.64 119.19 2qtw s THR 653 Ca 0.45 -0.75 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 2qtw s THR 653 Cb 0.38 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2qtw s THR 653 CO 0.06 0.53 0.54 0.00 -0.69 0.00 0.00 174.62 175.05 2qtw s VAL 655 N 1.55 3.23 -0.13 0.00 1.01 0.92 -1.71 120.40 125.27 2qtw s VAL 655 Ca 0.25 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qtw s VAL 655 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qtw s VAL 655 CO 0.10 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.92 2qtw s VAL 656 N 0.42 3.30 -0.14 2.92 1.01 0.95 -0.75 120.40 128.12 2qtw s VAL 656 Ca -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2qtw s VAL 656 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 2qtw s VAL 656 CO 0.04 0.52 -0.09 -0.13 0.00 0.00 0.00 175.10 175.44 2qtw s ARG 657 N 0.29 3.46 0.28 2.72 1.81 0.33 -0.61 118.95 127.24 2qtw s ARG 657 Ca -0.08 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 2qtw s ARG 657 Cb -0.15 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.56 2qtw s ARG 657 CO 0.05 0.25 0.09 -1.54 -0.68 0.00 0.00 175.30 173.47 2qtw s SER 658 N 0.28 1.58 0.22 0.23 1.04 -0.76 0.64 113.70 116.92 2qtw s SER 658 Ca -0.07 -1.40 0.18 0.00 0.48 0.00 0.00 55.95 55.13 2qtw s SER 658 Cb -0.15 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.12 2qtw s SER 658 CO 0.04 -0.72 1.20 -0.09 0.98 0.00 0.00 173.24 174.66 2qtw h ARG 659 N 2.28 0.00 -6.35 4.02 2.43 -1.66 -3.41 114.38 111.68 2qtw h ARG 659 Ca -0.38 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.24 2qtw h ARG 659 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2qtw h ARG 659 CO 0.62 0.30 0.96 0.00 -1.51 0.00 0.00 179.97 180.34 2qtw s ALA 671 N -3.04 3.63 0.11 2.80 0.00 -1.26 -4.74 121.76 119.26 2qtw s ALA 671 Ca 0.01 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 2qtw s ALA 671 Cb 0.08 -3.67 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 2qtw s ALA 671 CO 0.76 -1.12 0.55 0.08 0.00 0.00 0.00 175.76 176.04 2qtw s VAL 672 N 2.98 4.83 -0.06 0.00 1.01 0.30 -4.82 120.40 124.63 2qtw s VAL 672 Ca 0.69 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2qtw s VAL 672 Cb -0.34 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2qtw s VAL 672 CO 0.28 0.37 0.01 -0.89 0.00 0.00 0.00 175.10 174.87 2qtw s THR 673 N -1.32 0.27 0.11 3.92 2.01 -1.26 -0.95 115.64 118.42 2qtw s THR 673 Ca 0.34 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.26 2qtw s THR 673 Cb -0.17 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 71.84 2qtw s THR 673 CO 0.19 0.23 0.71 0.00 -0.69 0.00 0.00 174.62 175.05 2qtw s ALA 674 N 1.82 3.48 -0.12 7.40 0.00 0.15 -1.08 121.76 133.41 2qtw s ALA 674 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2qtw s ALA 674 Cb -0.12 -2.86 0.03 0.00 0.00 0.00 0.00 23.12 20.16 2qtw s ALA 674 CO -0.04 0.28 -0.06 0.08 0.00 0.00 0.00 175.76 176.02 2qtw s VAL 675 N -0.92 0.95 -0.11 0.00 1.01 0.13 -0.34 120.40 121.12 2qtw s VAL 675 Ca 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2qtw s VAL 675 Cb -0.21 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2qtw s VAL 675 CO 0.23 0.30 -0.06 0.00 0.00 0.00 0.00 175.10 175.58 2qtw s ALA 676 N 1.73 2.97 -0.24 5.51 0.00 0.32 -1.67 121.76 130.38 2qtw s ALA 676 Ca 0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 2qtw s ALA 676 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2qtw s ALA 676 CO -0.08 0.39 0.12 0.42 0.00 0.00 0.00 175.76 176.61 2qtw s ILE 677 N -0.19 4.93 -0.07 0.00 1.01 -0.07 -0.84 121.20 125.97 2qtw s ILE 677 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.76 2qtw s ILE 677 Cb -0.13 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 2qtw s ILE 677 CO 0.03 0.34 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2qtw s ARG 680 N -3.73 1.23 0.34 0.00 1.70 0.56 0.03 118.95 119.08 2qtw s ARG 680 Ca 0.18 -0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 54.22 2qtw s ARG 680 Cb 0.02 0.46 -0.11 0.00 -0.57 0.00 0.00 34.95 34.75 2qtw s ARG 680 CO 0.02 -0.49 1.52 0.45 -1.08 0.00 0.00 175.30 175.71 2qtw s SER 681 N -2.89 6.39 0.00 -2.89 0.15 -1.26 -1.09 113.70 112.11 2qtw s SER 681 Ca 0.10 2.98 0.24 0.00 0.70 0.00 0.00 55.95 59.98 2qtw s SER 681 Cb 0.01 -2.65 0.29 0.00 -1.71 0.00 0.00 66.02 61.96 2qtw s SER 681 CO -0.04 -0.87 1.32 -1.14 1.20 0.00 0.00 173.24 173.71