#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7r s LYS 171 N 0.00 4.13 0.00 7.34 -0.14 -1.26 -4.87 119.74 124.94 1n7r s LYS 171 Ca 0.00 0.65 0.00 0.00 -1.36 0.00 0.00 55.97 55.26 1n7r s LYS 171 Cb 0.00 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 1n7r s LYS 171 CO 0.00 0.65 0.00 -0.40 -0.76 0.00 0.00 175.35 174.84 1n7r n ASP 172 N 1.70 0.00 0.08 2.83 3.85 -1.26 -5.01 116.55 118.75 1n7r n ASP 172 Ca -0.11 -0.20 -0.00 0.00 -0.71 0.00 0.00 54.79 53.77 1n7r n ASP 172 Cb 0.51 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.58 1n7r n ASP 172 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1n7r h THR 173 N 0.20 1.23 -0.55 2.12 1.35 -2.00 -2.79 112.91 112.49 1n7r h THR 173 Ca 0.00 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 1n7r h THR 173 Cb 0.00 1.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 1n7r h THR 173 CO 0.00 0.34 0.29 1.88 -0.25 0.00 0.00 175.52 177.78 1n7r h TYR 174 N 0.28 0.76 0.00 4.73 0.05 -1.96 -2.21 116.97 118.62 1n7r h TYR 174 Ca 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1n7r h TYR 174 Cb 0.55 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1n7r h TYR 174 CO 0.01 0.56 0.00 1.79 -1.05 0.00 0.00 178.16 179.48 1n7r h THR 175 N 0.73 0.00 -0.52 -2.88 1.35 -1.85 -1.40 112.91 108.34 1n7r h THR 175 Ca 0.19 -0.85 -0.08 0.00 -0.55 0.00 0.00 66.41 65.13 1n7r h THR 175 Cb 0.06 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1n7r h THR 175 CO -0.03 0.00 0.02 0.44 -0.25 0.00 0.00 175.52 175.71 1n7r h ASP 176 N 0.00 0.89 -0.61 5.36 3.45 -1.17 -0.66 116.42 123.67 1n7r h ASP 176 Ca 0.00 -0.29 0.01 0.00 0.43 0.00 0.00 57.03 57.17 1n7r h ASP 176 Cb 0.85 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.35 1n7r h ASP 176 CO 0.00 0.96 0.40 -0.09 -1.57 0.00 0.00 179.24 178.94 1n7r h ARG 177 N 0.78 0.80 -0.46 3.56 9.65 -1.14 -2.48 114.38 125.08 1n7r h ARG 177 Ca 0.15 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.91 1n7r h ARG 177 Cb 0.49 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1n7r h ARG 177 CO 0.02 0.53 -0.03 -0.07 2.80 0.00 0.00 179.97 183.22 1n7r h LEU 178 N 0.82 0.76 -0.68 3.80 3.38 -1.08 -0.01 115.31 122.29 1n7r h LEU 178 Ca 0.23 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1n7r h LEU 178 Cb -0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 1n7r h LEU 178 CO -0.06 0.84 0.36 0.44 0.09 0.00 0.00 178.44 180.12 1n7r h ASP 179 N 0.73 0.51 -0.72 -0.43 3.32 -0.95 -0.48 116.42 118.39 1n7r h ASP 179 Ca 0.14 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1n7r h ASP 179 Cb 0.48 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1n7r h ASP 179 CO 0.02 0.32 0.36 0.44 -1.72 0.00 0.00 179.24 178.66 1n7r h ASP 180 N 0.65 0.93 -0.55 6.45 3.32 -0.81 -2.33 116.42 124.08 1n7r h ASP 180 Ca 0.32 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.31 1n7r h ASP 180 Cb 0.25 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1n7r h ASP 180 CO -0.22 0.79 0.24 -0.25 -1.72 0.00 0.00 179.24 178.08 1n7r h TRP 181 N 1.00 0.42 -0.82 4.55 -0.00 -0.55 -2.36 115.95 118.20 1n7r h TRP 181 Ca 0.25 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 59.19 1n7r h TRP 181 Cb 0.10 -0.11 -0.05 0.00 -0.00 0.00 0.00 29.16 29.10 1n7r h TRP 181 CO 0.00 0.17 0.53 -0.91 -0.00 0.00 0.00 178.44 178.23 1n7r h ASN 182 N 0.45 0.88 0.20 2.65 2.35 -0.84 0.76 115.58 122.02 1n7r h ASN 182 Ca 0.26 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1n7r h ASN 182 Cb 0.24 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1n7r h ASN 182 CO -0.22 0.61 -0.17 1.23 -1.65 0.00 0.00 177.43 177.22 1n7r h GLY 183 N 1.03 0.00 0.57 2.83 0.00 -1.13 0.49 103.07 106.85 1n7r h GLY 183 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.41 1n7r h GLY 183 CO -0.11 0.00 -1.21 -2.22 0.00 0.00 0.00 176.54 173.00 1n7r h ILE 184 N 0.00 1.18 0.00 2.60 2.04 -0.75 -3.19 117.51 119.40 1n7r h ILE 184 Ca -0.00 -2.43 -0.16 0.00 1.00 0.00 0.00 64.86 63.27 1n7r h ILE 184 Cb 0.32 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 1n7r h ILE 184 CO 0.02 0.69 -0.77 0.16 0.00 0.00 0.00 178.15 178.25 1n7r h ILE 185 N -0.36 1.20 0.00 -0.67 3.07 -0.87 -3.43 117.51 116.46 1n7r h ILE 185 Ca -0.25 -2.72 0.00 0.00 1.55 0.00 0.00 64.86 63.43 1n7r h ILE 185 Cb 1.70 2.59 0.00 0.00 -0.27 0.00 0.00 36.82 40.84 1n7r h ILE 185 CO 0.08 0.69 -0.12 0.00 -1.05 0.00 0.00 178.15 177.74 1n7r n ALA 186 N -2.29 3.00 -2.31 0.16 0.00 -0.25 -4.80 120.51 114.02 1n7r n ALA 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n7r n ALA 186 Cb 0.83 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1n7r n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7r n GLY 187 N 2.70 0.96 0.24 0.00 0.00 -0.00 -2.36 105.19 106.74 1n7r n GLY 187 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.41 1n7r n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n7r h ASN 188 N 0.00 0.27 -0.10 1.61 2.35 -1.86 -1.18 115.58 116.67 1n7r h ASN 188 Ca 0.00 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1n7r h ASN 188 Cb 0.93 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 1n7r h ASN 188 CO 0.00 0.42 0.28 0.06 -1.65 0.00 0.00 177.43 176.54 1n7r h GLN 189 N 0.27 0.00 -0.01 0.81 -0.00 -1.94 -1.68 115.11 112.57 1n7r h GLN 189 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1n7r h GLN 189 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 1n7r h GLN 189 CO 0.02 0.00 -0.50 0.66 -0.00 0.00 0.00 178.83 179.01 1n7r n TYR 190 N -3.23 0.00 -2.32 0.06 4.01 -0.45 -4.98 117.16 110.25 1n7r n TYR 190 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1n7r n TYR 190 Cb 0.36 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 1n7r n TYR 190 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1n7r s TYR 191 N -2.56 3.36 -0.19 -0.72 5.04 -0.63 -5.00 117.35 116.64 1n7r s TYR 191 Ca 0.18 1.53 -0.04 0.00 -2.44 0.00 0.00 57.07 56.30 1n7r s TYR 191 Cb 0.18 -3.46 0.08 0.00 0.35 0.00 0.00 41.96 39.11 1n7r s TYR 191 CO 0.60 -1.18 0.19 0.34 -1.34 0.00 0.00 175.55 174.16 1n7r s ASP 192 N -0.51 1.60 0.63 4.32 2.15 -1.26 -5.03 116.67 118.56 1n7r s ASP 192 Ca 0.48 -0.30 0.41 0.00 0.43 0.00 0.00 52.55 53.57 1n7r s ASP 192 Cb -0.35 0.23 2.13 0.00 -0.30 0.00 0.00 42.92 44.63 1n7r s ASP 192 CO 0.44 -0.33 2.27 0.77 -0.17 0.00 0.00 175.17 178.15 1n7r h SER 193 N 8.34 0.00 1.19 -0.34 4.64 -1.98 -1.22 113.55 124.18 1n7r h SER 193 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1n7r h SER 193 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1n7r h SER 193 CO 0.28 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.35 1n7r h LYS 194 N 0.00 0.00 -5.70 4.77 1.79 -2.02 -3.43 116.57 111.98 1n7r h LYS 194 Ca -0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1n7r h LYS 194 Cb 0.14 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.66 1n7r h LYS 194 CO 0.00 0.00 0.55 1.21 -1.08 0.00 0.00 179.45 180.13 1n7r s ASN 195 N -4.70 6.27 0.14 0.86 3.84 -0.46 -4.93 114.94 115.97 1n7r s ASN 195 Ca 0.07 -0.59 -0.15 0.00 0.21 0.00 0.00 52.86 52.40 1n7r s ASN 195 Cb 0.10 -2.43 0.09 0.00 -0.55 0.00 0.00 41.25 38.47 1n7r s ASN 195 CO 0.52 -1.30 1.08 0.47 -2.79 0.00 0.00 177.10 175.08 1n7r n ASP 196 N 7.55 -0.55 0.01 -4.21 10.43 -1.26 -1.40 116.55 127.12 1n7r n ASP 196 Ca -0.00 1.22 -0.08 0.00 2.57 0.00 0.00 54.79 58.50 1n7r n ASP 196 Cb 0.47 -0.24 0.08 0.00 1.84 0.00 0.00 41.12 43.26 1n7r n ASP 196 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1n7r h GLN 197 N 0.00 0.54 -0.37 -1.24 1.08 -1.95 -2.68 115.11 110.49 1n7r h GLN 197 Ca 0.20 -0.32 -0.16 0.00 -1.45 0.00 0.00 58.65 56.92 1n7r h GLN 197 Cb 0.37 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1n7r h GLN 197 CO -0.68 0.92 -0.38 0.52 -0.95 0.00 0.00 178.83 178.26 1n7r h MET 198 N 0.42 0.90 -0.95 1.46 2.86 -1.82 -2.99 114.93 114.82 1n7r h MET 198 Ca 0.02 -0.48 0.03 0.00 -2.06 0.00 0.00 59.70 57.20 1n7r h MET 198 Cb 1.03 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.66 1n7r h MET 198 CO 0.10 1.13 0.62 0.00 1.06 0.00 0.00 176.91 179.82 1n7r h ALA 199 N 0.76 1.37 -0.61 6.32 0.00 -1.16 -0.79 119.26 125.14 1n7r h ALA 199 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n7r h ALA 199 Cb 0.97 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1n7r h ALA 199 CO 0.09 0.54 0.25 -0.22 0.00 0.00 0.00 179.25 179.91 1n7r h LYS 200 N 1.22 0.92 -0.53 0.00 3.64 -1.43 -0.76 116.57 119.62 1n7r h LYS 200 Ca 0.37 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1n7r h LYS 200 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1n7r h LYS 200 CO -0.10 0.78 -0.04 1.25 -2.27 0.00 0.00 179.45 179.06 1n7r h LEU 201 N 0.86 0.95 -0.51 5.20 5.85 -1.30 -0.46 115.31 125.90 1n7r h LEU 201 Ca 0.20 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 1n7r h LEU 201 Cb 0.20 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1n7r h LEU 201 CO -0.02 1.05 -0.22 -1.13 -0.34 0.00 0.00 178.44 177.78 1n7r h ASN 202 N 0.83 1.01 -0.67 1.25 -0.73 -1.05 -1.83 115.58 114.39 1n7r h ASN 202 Ca 0.14 -0.38 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 1n7r h ASN 202 Cb 0.58 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.86 1n7r h ASN 202 CO 0.03 1.18 0.33 -0.61 -0.37 0.00 0.00 177.43 177.99 1n7r h GLN 203 N 0.85 0.96 -0.54 6.67 5.75 -1.07 -0.83 115.11 126.91 1n7r h GLN 203 Ca 0.11 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.54 1n7r h GLN 203 Cb 0.80 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 1n7r h GLN 203 CO 0.07 0.76 0.22 1.49 -2.65 0.00 0.00 178.83 178.71 1n7r h GLU 204 N 0.93 0.40 -0.49 1.69 4.81 -0.26 -2.05 114.58 119.60 1n7r h GLU 204 Ca 0.23 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1n7r h GLU 204 Cb 0.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1n7r h GLU 204 CO -0.03 0.27 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.30 1n7r h LEU 205 N 0.41 0.96 -0.26 1.64 3.38 -1.33 -1.28 115.31 118.83 1n7r h LEU 205 Ca 0.26 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1n7r h LEU 205 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1n7r h LEU 205 CO -0.24 1.09 0.16 -0.33 0.09 0.00 0.00 178.44 179.22 1n7r h GLU 206 N 0.84 0.32 -0.71 1.13 4.39 -0.97 -0.49 114.58 119.08 1n7r h GLU 206 Ca 0.13 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1n7r h GLU 206 Cb 0.70 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1n7r h GLU 206 CO 0.05 0.21 0.22 0.78 -1.16 0.00 0.00 179.01 179.12 1n7r h GLY 207 N 0.33 1.19 1.01 -3.84 0.00 -1.25 -0.33 103.07 100.18 1n7r h GLY 207 Ca 0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1n7r h GLY 207 CO -0.03 0.66 0.30 0.50 0.00 0.00 0.00 176.54 177.96 1n7r h LYS 208 N 1.05 0.96 -0.14 4.80 1.57 -0.98 -2.01 116.57 121.82 1n7r h LYS 208 Ca 0.23 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1n7r h LYS 208 Cb 0.30 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1n7r h LYS 208 CO -0.01 0.78 -0.23 0.28 -0.57 0.00 0.00 179.45 179.70 1n7r h VAL 209 N 0.92 1.37 -0.86 0.50 2.07 -0.83 -1.86 116.25 117.55 1n7r h VAL 209 Ca 0.22 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.38 1n7r h VAL 209 Cb 0.15 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 1n7r h VAL 209 CO -0.03 0.44 0.48 0.00 0.02 0.00 0.00 177.57 178.48 1n7r h ALA 210 N 0.56 1.26 -0.32 1.67 0.00 -1.01 0.11 119.26 121.54 1n7r h ALA 210 Ca 0.01 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1n7r h ALA 210 Cb 0.81 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1n7r h ALA 210 CO 0.05 0.05 -0.50 -0.44 0.00 0.00 0.00 179.25 178.41 1n7r h ASP 211 N 0.76 0.99 -0.46 0.00 3.32 -1.24 -2.18 116.42 117.61 1n7r h ASP 211 Ca 0.44 -0.51 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1n7r h ASP 211 Cb 0.49 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1n7r h ASP 211 CO -0.29 1.31 0.25 0.28 -1.72 0.00 0.00 179.24 179.07 1n7r h SER 212 N 0.70 0.39 -0.23 6.45 0.02 -0.98 -2.34 113.55 117.57 1n7r h SER 212 Ca 0.03 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1n7r h SER 212 Cb 1.11 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1n7r h SER 212 CO 0.11 0.28 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.65 1n7r h LEU 213 N 0.51 0.80 -0.07 5.07 3.38 -0.90 -1.54 115.31 122.56 1n7r h LEU 213 Ca 0.19 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1n7r h LEU 213 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1n7r h LEU 213 CO -0.11 1.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.96 1n7r n SER 214 N -4.06 0.79 -0.04 -0.43 3.41 -0.83 -3.93 113.62 108.53 1n7r n SER 214 Ca -0.01 0.58 -0.15 0.00 -0.26 0.00 0.00 58.87 59.03 1n7r n SER 214 Cb 0.51 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.53 1n7r n SER 214 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n7r n SER 215 N -2.25 1.34 -4.68 4.04 7.64 -0.89 -5.03 113.62 113.80 1n7r n SER 215 Ca 0.05 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.72 1n7r n SER 215 Cb 0.41 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1n7r n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n7r n ILE 216 N -3.19 1.98 -1.78 0.44 3.06 -0.60 -4.79 119.36 114.48 1n7r n ILE 216 Ca -0.28 -0.49 -0.42 0.00 -2.50 0.00 0.00 62.75 59.05 1n7r n ILE 216 Cb 1.06 -1.46 -0.03 0.00 0.54 0.00 0.00 39.64 39.74 1n7r n ILE 216 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1n7r s SER 217 N -0.34 6.48 0.53 9.51 0.01 0.01 -5.02 113.70 124.88 1n7r s SER 217 Ca 0.56 2.67 0.05 0.00 1.31 0.00 0.00 55.95 60.54 1n7r s SER 217 Cb -0.59 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.10 1n7r s SER 217 CO 0.62 -0.97 0.33 -0.44 0.41 0.00 0.00 173.24 173.19 1n7r s SER 218 N 2.71 4.55 0.54 2.44 0.01 -1.26 -4.95 113.70 117.73 1n7r s SER 218 Ca 0.79 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1n7r s SER 218 Cb -0.44 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1n7r s SER 218 CO 0.35 -1.05 0.00 1.67 0.41 0.00 0.00 173.24 174.62 1n7r n GLN 219 N -1.67 0.00 -2.19 12.44 -0.06 -1.26 -4.94 117.38 119.69 1n7r n GLN 219 Ca -0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.54 1n7r n GLN 219 Cb 0.65 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.80 1n7r n GLN 219 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1n7r s ALA 220 N -1.54 3.54 0.19 1.69 0.00 -1.26 -4.42 121.76 119.96 1n7r s ALA 220 Ca 0.00 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 1n7r s ALA 220 Cb 0.00 -3.49 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 1n7r s ALA 220 CO 0.00 -0.56 0.66 -0.25 0.00 0.00 0.00 175.76 175.61 1n7r n ASP 221 N 2.58 -0.71 -4.89 0.00 8.00 -1.26 -4.95 116.55 115.31 1n7r n ASP 221 Ca 0.06 1.14 -0.20 0.00 0.71 0.00 0.00 54.79 56.50 1n7r n ASP 221 Cb 0.42 -1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 1n7r n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n7r s ARG 222 N -0.95 2.61 -0.00 -1.24 1.70 -1.26 -5.03 118.95 114.78 1n7r s ARG 222 Ca 0.66 -1.45 0.20 0.00 -0.47 0.00 0.00 55.73 54.68 1n7r s ARG 222 Cb -0.93 -2.46 -0.23 0.00 -0.57 0.00 0.00 34.95 30.76 1n7r s ARG 222 CO 0.56 -0.16 0.84 0.44 -1.08 0.00 0.00 175.30 175.91 1n7r n ILE 223 N -1.57 0.00 -3.72 4.99 -5.35 -1.26 -5.03 119.36 107.42 1n7r n ILE 223 Ca 0.03 -0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 1n7r n ILE 223 Cb 0.61 0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 39.42 1n7r n ILE 223 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1n7r s TYR 224 N -2.96 -0.22 -0.19 4.28 -0.85 -1.26 -5.04 117.35 111.10 1n7r s TYR 224 Ca 0.07 -0.13 -0.15 0.00 -0.52 0.00 0.00 57.07 56.34 1n7r s TYR 224 Cb 0.15 0.54 -0.08 0.00 0.38 0.00 0.00 41.96 42.95 1n7r s TYR 224 CO 0.84 -1.02 -0.23 1.28 -1.52 0.00 0.00 175.55 174.90 1n7r n LEU 225 N -0.40 1.89 -4.36 -3.49 4.77 -1.26 -4.61 117.00 109.55 1n7r n LEU 225 Ca -0.09 0.44 -0.33 0.00 -0.03 0.00 0.00 56.01 56.00 1n7r n LEU 225 Cb 0.62 -0.82 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 1n7r n LEU 225 CO 0.15 -0.10 -0.45 0.26 -1.33 0.00 0.00 177.39 175.92 1n7r s TRP 226 N -2.57 2.81 0.21 -1.77 0.51 -1.26 -0.81 118.94 116.06 1n7r s TRP 226 Ca -0.27 -0.68 -0.09 0.00 -2.12 0.00 0.00 56.10 52.94 1n7r s TRP 226 Cb 0.06 -1.85 0.24 0.00 -0.81 0.00 0.00 33.47 31.10 1n7r s TRP 226 CO 0.40 -0.24 1.80 1.49 -0.51 0.00 0.00 176.95 179.89 1n7r h GLU 227 N 6.79 0.62 0.00 4.98 4.22 -1.90 -2.34 114.58 126.95 1n7r h GLU 227 Ca -0.27 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.14 1n7r h GLU 227 Cb 1.21 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1n7r h GLU 227 CO 0.56 0.41 0.00 1.57 -2.18 0.00 0.00 179.01 179.37 1n7r h LYS 228 N 0.64 0.00 -1.58 1.92 2.10 -1.98 -2.49 116.57 115.18 1n7r h LYS 228 Ca 0.30 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.37 1n7r h LYS 228 Cb 0.21 0.00 -0.42 0.00 -0.90 0.00 0.00 32.23 31.12 1n7r h LYS 228 CO -0.20 0.00 -0.75 1.19 -2.00 0.00 0.00 179.45 177.69 1n7r n PHE 229 N -2.90 3.33 0.24 0.07 3.72 -0.89 -4.88 117.46 116.14 1n7r n PHE 229 Ca -0.01 -3.20 0.10 0.00 -0.05 0.00 0.00 57.45 54.29 1n7r n PHE 229 Cb 0.18 -0.15 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 1n7r n PHE 229 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n7r n SER 230 N -0.42 0.50 -4.47 4.37 3.41 -0.94 -4.68 113.62 111.38 1n7r n SER 230 Ca 0.36 -0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 1n7r n SER 230 Cb 0.64 1.69 -0.03 0.00 -0.26 0.00 0.00 64.21 66.24 1n7r n SER 230 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1n7r s ASN 231 N -3.96 6.30 0.00 4.04 3.84 -1.26 -4.84 114.94 119.06 1n7r s ASN 231 Ca -0.04 -1.21 0.15 0.00 0.21 0.00 0.00 52.86 51.97 1n7r s ASN 231 Cb 0.14 -2.44 0.82 0.00 -0.55 0.00 0.00 41.25 39.21 1n7r s ASN 231 CO 0.84 -1.40 1.37 0.00 -2.79 0.00 0.00 177.10 175.11 1n7r n TYR 232 N 7.71 0.00 0.08 0.43 0.18 -1.26 -2.50 117.16 121.81 1n7r n TYR 232 Ca 0.06 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.81 1n7r n TYR 232 Cb 0.47 -0.16 -0.06 0.00 -0.38 0.00 0.00 39.34 39.21 1n7r n TYR 232 CO 0.00 0.00 0.00 0.87 -2.08 0.00 0.00 176.86 175.65 1n7r h LYS 233 N 0.00 0.00 -6.48 -3.48 1.57 -1.89 -3.41 116.57 102.88 1n7r h LYS 233 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1n7r h LYS 233 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1n7r h LYS 233 CO 0.00 0.72 0.99 0.99 -0.57 0.00 0.00 179.45 181.58 1n7r s THR 234 N -2.82 4.09 0.23 -0.16 2.01 -1.04 -3.96 115.64 114.00 1n7r s THR 234 Ca 0.02 1.17 0.31 0.00 0.31 0.00 0.00 61.69 63.50 1n7r s THR 234 Cb 0.09 -4.27 0.34 0.00 0.01 0.00 0.00 72.50 68.67 1n7r s THR 234 CO 0.79 -0.67 2.01 0.77 -0.69 0.00 0.00 174.62 176.82 1n7r h SER 235 N 9.72 0.00 -0.08 3.53 4.64 -1.80 -2.71 113.55 126.86 1n7r h SER 235 Ca -0.26 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1n7r h SER 235 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1n7r h SER 235 CO 1.07 0.08 0.17 0.00 -0.87 0.00 0.00 176.83 177.28 1n7r h ALA 236 N 1.92 1.45 0.00 5.18 0.00 -1.92 -1.81 119.26 124.08 1n7r h ALA 236 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1n7r h ALA 236 Cb 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n7r h ALA 236 CO 0.01 -0.21 -0.51 -0.91 0.00 0.00 0.00 179.25 177.63 1n7r h ASN 237 N 0.00 0.00 -0.01 0.00 2.35 -1.77 -1.38 115.58 114.77 1n7r h ASN 237 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1n7r h ASN 237 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1n7r h ASN 237 CO -0.00 0.51 0.01 -0.07 -1.65 0.00 0.00 177.43 176.23 1n7r h LEU 238 N 0.00 0.01 -0.11 1.61 4.07 -1.48 -2.68 115.31 116.74 1n7r h LEU 238 Ca -0.01 -0.02 -0.22 0.00 0.08 0.00 0.00 57.88 57.72 1n7r h LEU 238 Cb 1.20 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1n7r h LEU 238 CO 0.07 0.03 -1.00 0.71 -1.08 0.00 0.00 178.44 177.16 1n7r h THR 239 N 0.00 1.55 -0.81 0.22 1.35 -1.57 -1.85 112.91 111.80 1n7r h THR 239 Ca 0.00 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 1n7r h THR 239 Cb 0.02 2.69 -0.04 0.00 -1.73 0.00 0.00 68.15 69.08 1n7r h THR 239 CO -0.00 0.85 0.51 0.00 -0.25 0.00 0.00 175.52 176.63 1n7r h ALA 240 N 0.88 1.38 -0.11 6.62 0.00 -1.34 -0.83 119.26 125.86 1n7r h ALA 240 Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1n7r h ALA 240 Cb 1.69 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1n7r h ALA 240 CO 0.15 0.55 -0.00 1.15 0.00 0.00 0.00 179.25 181.10 1n7r h THR 241 N 1.10 1.25 -0.01 0.00 2.02 -1.21 -2.85 112.91 113.22 1n7r h THR 241 Ca 0.29 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 1n7r h THR 241 Cb -0.09 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1n7r h THR 241 CO -0.06 0.23 -0.45 1.88 0.37 0.00 0.00 175.52 177.50 1n7r h TYR 242 N -0.07 0.03 0.00 3.16 0.05 -1.04 -2.62 116.97 116.48 1n7r h TYR 242 Ca 0.03 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1n7r h TYR 242 Cb 0.36 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1n7r h TYR 242 CO 0.03 0.47 -0.21 0.00 -1.05 0.00 0.00 178.16 177.40 1n7r h ARG 243 N 0.02 0.00 -0.19 4.88 3.08 -1.15 -0.15 114.38 120.87 1n7r h ARG 243 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1n7r h ARG 243 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1n7r h ARG 243 CO 0.06 0.21 -0.44 0.87 -1.07 0.00 0.00 179.97 179.60 1n7r h LYS 244 N 0.00 0.45 -0.07 0.04 1.57 -1.22 -2.41 116.57 114.94 1n7r h LYS 244 Ca -0.00 -0.24 -0.24 0.00 -1.87 0.00 0.00 60.65 58.30 1n7r h LYS 244 Cb 0.51 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1n7r h LYS 244 CO 0.03 0.81 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.74 1n7r h LEU 245 N 0.37 0.85 -0.82 2.94 3.38 -1.30 -2.93 115.31 117.80 1n7r h LEU 245 Ca 0.03 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1n7r h LEU 245 Cb 0.92 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1n7r h LEU 245 CO 0.08 1.41 0.53 -0.08 0.09 0.00 0.00 178.44 180.48 1n7r h GLU 246 N 0.43 1.03 -0.42 1.13 4.81 -1.03 -1.36 114.58 119.16 1n7r h GLU 246 Ca -0.09 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1n7r h GLU 246 Cb 1.54 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1n7r h GLU 246 CO 0.18 0.68 0.15 0.93 -0.73 0.00 0.00 179.01 180.22 1n7r h GLU 247 N 1.06 0.31 -0.89 1.92 5.08 -1.41 -1.77 114.58 118.88 1n7r h GLU 247 Ca 0.31 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.80 1n7r h GLU 247 Cb -0.05 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.04 1n7r h GLU 247 CO -0.09 0.20 0.49 0.52 -1.00 0.00 0.00 179.01 179.13 1n7r h MET 248 N 0.32 0.70 -0.61 2.33 2.86 -1.27 -1.58 114.93 117.67 1n7r h MET 248 Ca 0.20 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1n7r h MET 248 Cb 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1n7r h MET 248 CO -0.20 0.46 0.18 0.00 1.06 0.00 0.00 176.91 178.41 1n7r h ALA 249 N 1.55 0.80 -0.25 6.32 0.00 -0.45 0.31 119.26 127.54 1n7r h ALA 249 Ca 0.47 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1n7r h ALA 249 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1n7r h ALA 249 CO -0.33 0.48 0.05 0.87 0.00 0.00 0.00 179.25 180.32 1n7r h LYS 250 N 0.87 0.15 -0.09 0.00 1.57 -0.75 -2.79 116.57 115.53 1n7r h LYS 250 Ca 0.19 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 1n7r h LYS 250 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1n7r h LYS 250 CO -0.00 0.10 -0.63 1.96 -0.57 0.00 0.00 179.45 180.30 1n7r h GLN 251 N 0.15 0.35 0.00 3.15 1.08 -1.01 -2.79 115.11 116.04 1n7r h GLN 251 Ca 0.12 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1n7r h GLN 251 Cb 0.11 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1n7r h GLN 251 CO -0.15 0.87 -0.20 -0.24 -0.95 0.00 0.00 178.83 178.16 1n7r h VAL 252 N 0.25 0.59 -0.24 -0.54 3.04 -0.26 -2.92 116.25 116.17 1n7r h VAL 252 Ca -0.01 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1n7r h VAL 252 Cb 1.16 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1n7r h VAL 252 CO 0.10 0.19 0.00 0.35 -1.01 0.00 0.00 177.57 177.21 1n7r n THR 253 N -3.50 0.37 -3.23 3.17 -2.24 -1.06 -1.62 114.28 106.17 1n7r n THR 253 Ca -0.01 -0.69 -0.43 0.00 -2.27 0.00 0.00 64.05 60.66 1n7r n THR 253 Cb 0.36 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1n7r n THR 253 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n7r s ASN 254 N -1.37 6.25 0.57 3.42 3.04 -1.06 -4.95 114.94 120.83 1n7r s ASN 254 Ca 0.29 -0.54 0.30 0.00 0.04 0.00 0.00 52.86 52.95 1n7r s ASN 254 Cb 0.18 -2.27 1.46 0.00 -1.54 0.00 0.00 41.25 39.08 1n7r s ASN 254 CO 0.25 -0.67 1.87 -0.65 -3.04 0.00 0.00 177.10 174.86 1n7r h PRO 255 N 8.80 0.00 -0.01 0.43 0.11 -1.89 -1.86 132.00 137.58 1n7r h PRO 255 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n7r h PRO 255 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n7r h PRO 255 CO 0.84 0.00 -0.26 0.43 -0.21 0.00 0.00 178.00 178.80 1n7r n SER 256 N -3.94 1.21 -4.76 -2.05 7.64 -1.26 -4.90 113.62 105.55 1n7r n SER 256 Ca 0.13 -1.03 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 1n7r n SER 256 Cb 0.83 0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 1n7r n SER 256 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n7r s SER 257 N -2.45 7.05 0.15 6.43 0.15 -0.70 -4.93 113.70 119.40 1n7r s SER 257 Ca 0.25 2.36 0.13 0.00 0.70 0.00 0.00 55.95 59.38 1n7r s SER 257 Cb 0.19 -2.63 0.63 0.00 -1.71 0.00 0.00 66.02 62.50 1n7r s SER 257 CO 0.51 -0.31 1.39 -2.11 1.20 0.00 0.00 173.24 173.92 1n7r n ARG 258 N 0.90 0.08 -0.28 5.44 1.85 -1.26 -2.22 116.66 121.16 1n7r n ARG 258 Ca 0.00 0.51 0.11 0.00 -1.00 0.00 0.00 57.85 57.47 1n7r n ARG 258 Cb 0.45 -1.71 0.26 0.00 -1.05 0.00 0.00 32.46 30.40 1n7r n ARG 258 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n7r n TYR 259 N -1.87 0.74 -1.68 2.89 4.01 -1.26 -4.88 117.16 115.11 1n7r n TYR 259 Ca 0.00 -0.41 -0.50 0.00 -0.16 0.00 0.00 57.90 56.83 1n7r n TYR 259 Cb 0.06 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 1n7r n TYR 259 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1n7r n TYR 260 N 1.41 2.25 -2.81 -0.72 9.36 -0.94 -1.22 117.16 124.47 1n7r n TYR 260 Ca 0.21 0.10 -0.14 0.00 3.32 0.00 0.00 57.90 61.38 1n7r n TYR 260 Cb 0.58 -2.63 -0.01 0.00 -0.63 0.00 0.00 39.34 36.66 1n7r n TYR 260 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1n7r n GLN 261 N 6.57 -2.70 -2.15 2.98 6.02 -0.64 -4.88 117.38 122.57 1n7r n GLN 261 Ca 0.24 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 57.21 1n7r n GLN 261 Cb 0.26 -5.00 -0.03 0.00 1.02 0.00 0.00 30.24 26.49 1n7r n GLN 261 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1n7r s ASP 262 N -2.28 6.81 0.33 1.08 2.15 -0.36 -4.91 116.67 119.48 1n7r s ASP 262 Ca 0.15 2.34 0.05 0.00 0.43 0.00 0.00 52.55 55.51 1n7r s ASP 262 Cb -0.08 -2.59 0.57 0.00 -0.30 0.00 0.00 42.92 40.52 1n7r s ASP 262 CO 0.19 -0.67 1.84 1.05 -0.17 0.00 0.00 175.17 177.40 1n7r h GLU 263 N 6.88 0.47 -0.25 4.34 -0.00 -1.90 -2.34 114.58 121.78 1n7r h GLU 263 Ca -0.42 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.36 58.77 1n7r h GLU 263 Cb 1.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.89 1n7r h GLU 263 CO 0.87 0.57 -0.04 1.15 -0.00 0.00 0.00 179.01 181.56 1n7r h THR 264 N 0.44 1.27 -0.77 -1.06 2.02 -1.98 -2.81 112.91 110.03 1n7r h THR 264 Ca 0.09 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 1n7r h THR 264 Cb 0.43 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1n7r h THR 264 CO 0.02 0.31 0.27 0.58 0.37 0.00 0.00 175.52 177.08 1n7r h VAL 265 N 0.22 1.26 -0.38 3.16 2.07 -1.87 0.06 116.25 120.77 1n7r h VAL 265 Ca 0.07 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1n7r h VAL 265 Cb 0.48 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1n7r h VAL 265 CO 0.02 0.35 0.13 0.58 0.02 0.00 0.00 177.57 178.66 1n7r h VAL 266 N 1.13 1.21 -0.26 2.57 2.07 -1.47 -1.41 116.25 120.09 1n7r h VAL 266 Ca 0.25 -0.68 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 1n7r h VAL 266 Cb 0.26 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1n7r h VAL 266 CO -0.01 0.24 -0.46 -0.09 0.02 0.00 0.00 177.57 177.27 1n7r h ARG 267 N 0.47 0.68 -0.41 1.57 2.43 -1.38 -2.22 114.38 115.52 1n7r h ARG 267 Ca 0.12 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 58.81 1n7r h ARG 267 Cb 0.25 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1n7r h ARG 267 CO -0.00 1.00 -0.16 1.15 -1.51 0.00 0.00 179.97 180.44 1n7r h THR 268 N 0.55 1.26 -0.12 0.20 2.02 -0.87 0.49 112.91 116.45 1n7r h THR 268 Ca 0.03 -1.25 -0.19 0.00 0.77 0.00 0.00 66.41 65.77 1n7r h THR 268 Cb 1.01 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1n7r h THR 268 CO 0.09 0.42 -0.68 0.58 0.37 0.00 0.00 175.52 176.31 1n7r h VAL 269 N 0.70 1.32 0.39 3.16 2.07 -1.07 -1.49 116.25 121.33 1n7r h VAL 269 Ca 0.11 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 1n7r h VAL 269 Cb 0.66 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1n7r h VAL 269 CO 0.05 0.60 -0.19 0.03 0.02 0.00 0.00 177.57 178.08 1n7r h ARG 270 N 0.33 -0.51 -0.41 1.57 3.08 -1.11 -2.03 114.38 115.30 1n7r h ARG 270 Ca -0.05 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1n7r h ARG 270 Cb 1.32 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 1n7r h ARG 270 CO 0.14 -0.28 0.03 -0.44 -1.07 0.00 0.00 179.97 178.35 1n7r h ASP 271 N -0.63 0.60 0.29 7.04 3.45 -1.00 -2.58 116.42 123.59 1n7r h ASP 271 Ca -0.05 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.22 1n7r h ASP 271 Cb 0.46 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1n7r h ASP 271 CO 0.09 0.65 -0.31 0.28 -1.57 0.00 0.00 179.24 178.37 1n7r h SER 272 N 0.61 0.03 -0.13 6.45 0.02 -1.23 0.43 113.55 119.73 1n7r h SER 272 Ca 0.13 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1n7r h SER 272 Cb 0.33 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1n7r h SER 272 CO 0.01 0.35 -0.20 0.24 -1.14 0.00 0.00 176.83 176.09 1n7r h MET 273 N 0.03 0.37 0.17 3.45 2.86 -1.08 -1.64 114.93 119.08 1n7r h MET 273 Ca 0.00 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1n7r h MET 273 Cb 0.57 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1n7r h MET 273 CO 0.04 0.80 -0.08 1.49 1.06 0.00 0.00 176.91 180.22 1n7r h GLU 274 N -0.03 -0.22 -0.50 1.72 4.57 -1.39 -0.59 114.58 118.14 1n7r h GLU 274 Ca 0.01 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 1n7r h GLU 274 Cb 0.77 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 29.32 1n7r h GLU 274 CO 0.05 -0.01 -0.08 2.35 -1.18 0.00 0.00 179.01 180.14 1n7r h TRP 275 N -0.39 -0.18 -0.69 0.92 7.01 -0.14 -1.03 115.95 121.45 1n7r h TRP 275 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1n7r h TRP 275 Cb 0.30 0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1n7r h TRP 275 CO -0.02 -0.18 0.41 0.52 -2.79 0.00 0.00 178.44 176.38 1n7r h MET 276 N 0.04 0.94 -0.76 2.65 2.86 -1.19 -0.91 114.93 118.56 1n7r h MET 276 Ca 0.24 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1n7r h MET 276 Cb 0.38 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1n7r h MET 276 CO -0.48 0.67 0.45 1.25 1.06 0.00 0.00 176.91 179.86 1n7r h HIS 277 N 0.94 0.82 0.08 -0.22 -0.00 -0.45 -0.82 115.15 115.50 1n7r h HIS 277 Ca 0.25 0.03 -0.30 0.00 -0.00 0.00 0.00 60.37 60.34 1n7r h HIS 277 Cb -0.02 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1n7r h HIS 277 CO -0.01 0.40 -1.58 1.57 -0.00 0.00 0.00 177.93 178.31 1n7r h LYS 278 N 0.81 0.16 0.00 5.26 2.10 -1.02 -3.35 116.57 120.53 1n7r h LYS 278 Ca 0.34 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1n7r h LYS 278 Cb 0.19 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1n7r h LYS 278 CO -0.18 0.95 -1.68 0.72 -2.00 0.00 0.00 179.45 177.26 1n7r n HIS 279 N -3.34 0.00 0.00 0.07 8.25 -0.36 -4.86 115.22 114.98 1n7r n HIS 279 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1n7r n HIS 279 Cb 1.04 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1n7r n HIS 279 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1n7r n VAL 280 N -2.02 0.00 -3.40 1.59 0.31 -0.54 -5.03 118.33 109.25 1n7r n VAL 280 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.09 1n7r n VAL 280 Cb 0.39 -0.45 -0.09 0.00 -0.91 0.00 0.00 33.84 32.78 1n7r n VAL 280 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1n7r s TYR 281 N -1.69 0.05 0.20 3.52 5.04 -0.43 -4.99 117.35 119.05 1n7r s TYR 281 Ca 0.00 -1.09 0.02 0.00 -2.44 0.00 0.00 57.07 53.57 1n7r s TYR 281 Cb 0.00 -0.58 -0.01 0.00 0.35 0.00 0.00 41.96 41.72 1n7r s TYR 281 CO 0.00 -0.92 0.22 0.27 -1.34 0.00 0.00 175.55 173.78 1n7r n ASN 282 N 4.20 -0.59 0.27 4.32 2.04 -1.26 -4.23 115.26 120.03 1n7r n ASN 282 Ca 0.11 -2.25 0.14 0.00 -0.44 0.00 0.00 54.58 52.14 1n7r n ASN 282 Cb 0.42 1.22 0.76 0.00 -2.53 0.00 0.00 39.78 39.65 1n7r n ASN 282 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1n7r h SER 283 N 1.21 0.00 0.53 0.53 0.02 -1.91 -2.80 113.55 111.13 1n7r h SER 283 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1n7r h SER 283 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1n7r h SER 283 CO 0.21 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.38 1n7r n GLU 284 N -3.50 0.29 -2.69 3.45 4.71 -1.26 -4.87 120.64 116.78 1n7r n GLU 284 Ca -0.02 0.06 -0.30 0.00 -0.01 0.00 0.00 57.16 56.89 1n7r n GLU 284 Cb 0.24 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.14 1n7r n GLU 284 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1n7r s LYS 285 N -2.64 3.77 0.35 3.49 -0.14 -1.06 -5.10 119.74 118.41 1n7r s LYS 285 Ca 0.21 0.54 0.09 0.00 -1.36 0.00 0.00 55.97 55.45 1n7r s LYS 285 Cb 0.16 -2.33 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 1n7r s LYS 285 CO 0.39 -0.13 -0.02 -1.12 -0.76 0.00 0.00 175.35 173.71 1n7r s SER 286 N -3.32 4.00 0.06 2.83 0.01 -1.26 -5.00 113.70 111.02 1n7r s SER 286 Ca 0.52 -1.12 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 1n7r s SER 286 Cb -0.10 -0.45 -0.06 0.00 0.21 0.00 0.00 66.02 65.62 1n7r s SER 286 CO 0.34 -0.27 1.25 -0.63 0.41 0.00 0.00 173.24 174.35 1n7r s ILE 287 N -2.58 3.88 -0.10 1.44 1.01 -1.26 -5.01 121.20 118.57 1n7r s ILE 287 Ca 0.34 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.34 1n7r s ILE 287 Cb 0.02 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1n7r s ILE 287 CO 0.18 0.09 -0.15 -0.69 0.00 0.00 0.00 174.94 174.37 1n7r s VAL 288 N 1.27 1.45 0.00 2.92 1.01 -1.26 -5.02 120.40 120.78 1n7r s VAL 288 Ca 0.60 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1n7r s VAL 288 Cb -0.31 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1n7r s VAL 288 CO 0.29 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1n7r n GLY 289 N 4.12 0.96 3.52 4.51 0.00 -1.25 -4.01 105.19 113.04 1n7r n GLY 289 Ca -0.19 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1n7r n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7r s ASN 290 N -4.00 4.24 0.38 1.61 2.20 -1.26 -5.00 114.94 113.12 1n7r s ASN 290 Ca 0.00 -0.21 0.18 0.00 -0.94 0.00 0.00 52.86 51.89 1n7r s ASN 290 Cb 0.00 -0.91 0.74 0.00 -2.00 0.00 0.00 41.25 39.09 1n7r s ASN 290 CO 0.00 0.31 1.78 0.00 -2.94 0.00 0.00 177.10 176.24 1n7r h ALA 291 N 4.87 1.09 -0.63 3.54 0.00 -1.98 -3.13 119.26 123.02 1n7r h ALA 291 Ca -0.48 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.21 1n7r h ALA 291 Cb 1.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1n7r h ALA 291 CO 0.51 0.46 0.42 0.00 0.00 0.00 0.00 179.25 180.65 1n7r h ALA 292 N 1.63 2.08 -0.09 0.00 0.00 -1.98 -1.18 119.26 119.72 1n7r h ALA 292 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n7r h ALA 292 Cb 0.81 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n7r h ALA 292 CO 0.05 -0.24 0.03 -0.44 0.00 0.00 0.00 179.25 178.65 1n7r h ASP 293 N 0.37 0.13 0.87 0.00 3.45 -1.89 0.33 116.42 119.69 1n7r h ASP 293 Ca 0.30 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.50 1n7r h ASP 293 Cb 0.66 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1n7r h ASP 293 CO -0.08 0.29 -0.30 1.88 -1.57 0.00 0.00 179.24 179.46 1n7r h TYR 294 N -0.04 0.00 0.00 4.55 -1.99 -1.40 -1.40 116.97 116.69 1n7r h TYR 294 Ca 0.03 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 1n7r h TYR 294 Cb 0.21 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 1n7r h TYR 294 CO -0.01 0.30 -1.77 0.39 -0.00 0.00 0.00 178.16 177.08 1n7r n GLU 295 N -3.48 1.88 0.02 4.88 1.02 -0.83 -4.60 120.64 119.54 1n7r n GLU 295 Ca -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1n7r n GLU 295 Cb 0.47 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1n7r n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1n7r n ILE 296 N -2.37 0.37 -0.10 -3.67 2.08 0.03 -4.72 119.36 110.98 1n7r n ILE 296 Ca -0.17 0.12 -0.10 0.00 0.56 0.00 0.00 62.75 63.17 1n7r n ILE 296 Cb 0.81 -1.14 -0.02 0.00 -0.75 0.00 0.00 39.64 38.53 1n7r n ILE 296 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1n7r h GLY 297 N 0.00 0.48 0.46 7.39 0.00 -1.35 -0.95 103.07 109.10 1n7r h GLY 297 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1n7r h GLY 297 CO 0.00 0.23 -0.05 -0.84 0.00 0.00 0.00 176.54 175.88 1n7r h THR 298 N 0.36 1.10 -0.41 4.70 2.02 -1.50 -2.16 112.91 117.02 1n7r h THR 298 Ca 0.10 -1.11 0.08 0.00 0.77 0.00 0.00 66.41 66.26 1n7r h THR 298 Cb 0.14 1.77 -0.09 0.00 -1.74 0.00 0.00 68.15 68.22 1n7r h THR 298 CO -0.01 0.25 -0.33 -0.65 0.37 0.00 0.00 175.52 175.16 1n7r h PRO 299 N -0.69 -0.24 -0.92 6.66 0.11 -1.76 0.02 132.00 135.18 1n7r h PRO 299 Ca -0.02 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.25 1n7r h PRO 299 Cb 0.53 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.60 1n7r h PRO 299 CO 0.02 -0.16 0.53 0.00 -0.21 0.00 0.00 178.00 178.19 1n7r h ARG 300 N -0.25 0.75 -0.39 1.05 3.08 -1.21 0.27 114.38 117.68 1n7r h ARG 300 Ca 0.18 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1n7r h ARG 300 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1n7r h ARG 300 CO -0.55 0.50 -0.30 0.00 -1.07 0.00 0.00 179.97 178.55 1n7r h ALA 301 N 1.56 0.73 -0.37 0.04 0.00 -0.85 -2.01 119.26 118.38 1n7r h ALA 301 Ca 0.49 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1n7r h ALA 301 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1n7r h ALA 301 CO -0.33 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.35 1n7r h ILE 302 N 0.72 1.27 -0.69 0.00 2.04 -0.26 -1.10 117.51 119.49 1n7r h ILE 302 Ca 0.08 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.82 1n7r h ILE 302 Cb 0.85 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1n7r h ILE 302 CO 0.07 0.36 0.30 0.78 0.00 0.00 0.00 178.15 179.66 1n7r h ASN 303 N 0.49 0.93 -0.33 1.72 2.35 -0.48 -1.92 115.58 118.34 1n7r h ASN 303 Ca 0.10 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1n7r h ASN 303 Cb 0.54 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1n7r h ASN 303 CO 0.03 0.83 -0.29 0.78 -1.65 0.00 0.00 177.43 177.14 1n7r h ASN 304 N 0.97 0.88 0.17 5.81 4.21 -1.21 -1.81 115.58 124.61 1n7r h ASN 304 Ca 0.23 -0.35 -0.00 0.00 1.21 0.00 0.00 56.30 57.39 1n7r h ASN 304 Cb 0.18 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1n7r h ASN 304 CO -0.02 1.10 -0.11 0.74 -1.29 0.00 0.00 177.43 177.85 1n7r h THR 305 N 0.72 0.77 -0.65 2.81 2.02 -1.04 -0.74 112.91 116.81 1n7r h THR 305 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1n7r h THR 305 Cb 0.84 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1n7r h THR 305 CO 0.07 0.00 0.31 -0.07 0.37 0.00 0.00 175.52 176.20 1n7r h LEU 306 N -0.27 0.83 -0.07 2.58 3.38 -1.26 -0.74 115.31 119.76 1n7r h LEU 306 Ca -0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1n7r h LEU 306 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n7r h LEU 306 CO 0.01 0.71 -0.27 -1.28 0.09 0.00 0.00 178.44 177.70 1n7r h SER 307 N 0.92 0.36 -0.58 -0.43 0.87 -1.27 0.24 113.55 113.66 1n7r h SER 307 Ca 0.23 -0.63 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1n7r h SER 307 Cb 0.10 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1n7r h SER 307 CO -0.03 0.93 0.38 -0.07 -0.53 0.00 0.00 176.83 177.51 1n7r h LEU 308 N -0.19 0.67 -3.83 2.23 3.38 -0.89 -3.06 115.31 113.62 1n7r h LEU 308 Ca -0.01 -0.02 -0.45 0.00 0.09 0.00 0.00 57.88 57.49 1n7r h LEU 308 Cb 0.91 -0.17 -0.27 0.00 0.09 0.00 0.00 40.66 41.22 1n7r h LEU 308 CO 0.06 0.48 0.57 0.23 0.09 0.00 0.00 178.44 179.86 1n7r n MET 309 N -4.68 2.37 0.29 1.13 2.81 -0.30 -4.70 117.12 114.03 1n7r n MET 309 Ca 0.04 -2.82 0.17 0.00 -1.81 0.00 0.00 57.70 53.28 1n7r n MET 309 Cb 0.02 -2.11 0.87 0.00 -0.71 0.00 0.00 33.22 31.28 1n7r n MET 309 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1n7r h LYS 310 N 1.16 0.00 -0.03 0.03 2.10 -0.84 -1.18 116.57 117.81 1n7r h LYS 310 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 1n7r h LYS 310 Cb 2.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.01 1n7r h LYS 310 CO 0.99 0.05 0.00 0.39 -2.00 0.00 0.00 179.45 178.88 1n7r n GLU 311 N -3.39 1.25 0.00 0.07 1.02 -1.26 -3.34 120.64 115.00 1n7r n GLU 311 Ca -0.02 -0.37 0.03 0.00 -0.02 0.00 0.00 57.16 56.78 1n7r n GLU 311 Cb 0.20 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1n7r n GLU 311 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n7r n TYR 312 N -0.48 0.00 -4.27 -0.32 4.01 -0.45 -5.02 117.16 110.63 1n7r n TYR 312 Ca 0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.64 1n7r n TYR 312 Cb 0.18 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.11 1n7r n TYR 312 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1n7r s PHE 313 N -1.47 2.63 0.51 -0.72 0.08 -1.21 -5.09 117.98 112.71 1n7r s PHE 313 Ca 0.03 -0.21 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 1n7r s PHE 313 Cb 0.05 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1n7r s PHE 313 CO 0.24 0.43 0.84 -1.54 -0.10 0.00 0.00 175.22 175.10 1n7r s SER 314 N -2.33 6.26 0.32 1.36 1.04 -1.26 -4.93 113.70 114.16 1n7r s SER 314 Ca 0.21 1.04 0.06 0.00 0.48 0.00 0.00 55.95 57.74 1n7r s SER 314 Cb -0.10 -2.30 0.72 0.00 0.10 0.00 0.00 66.02 64.43 1n7r s SER 314 CO 0.13 -0.64 1.84 0.44 0.98 0.00 0.00 173.24 175.99 1n7r h ASP 315 N 0.12 0.77 -0.34 7.02 3.32 -1.97 -0.62 116.42 124.71 1n7r h ASP 315 Ca -0.46 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 1n7r h ASP 315 Cb 1.20 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1n7r h ASP 315 CO 0.62 0.38 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.96 1n7r h GLU 316 N 0.81 0.83 -0.38 3.56 3.07 -1.99 -2.00 114.58 118.48 1n7r h GLU 316 Ca 0.48 -0.34 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1n7r h GLU 316 Cb 0.67 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1n7r h GLU 316 CO -0.25 0.98 -0.02 0.93 -1.40 0.00 0.00 179.01 179.25 1n7r h GLU 317 N 0.72 0.68 -0.97 2.33 5.08 -1.78 -1.65 114.58 118.99 1n7r h GLU 317 Ca 0.10 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1n7r h GLU 317 Cb 0.76 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1n7r h GLU 317 CO 0.06 0.79 0.63 0.82 -1.00 0.00 0.00 179.01 180.31 1n7r h ILE 318 N 0.50 1.13 -0.28 3.13 2.04 -1.00 0.37 117.51 123.40 1n7r h ILE 318 Ca 0.11 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 1n7r h ILE 318 Cb 0.49 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1n7r h ILE 318 CO 0.02 0.22 -0.24 0.50 0.00 0.00 0.00 178.15 178.65 1n7r h LYS 319 N 1.18 0.66 0.01 2.37 3.64 -1.35 -1.91 116.57 121.17 1n7r h LYS 319 Ca 0.40 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1n7r h LYS 319 Cb 0.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1n7r h LYS 319 CO -0.14 0.94 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.59 1n7r h LYS 320 N 0.40 -0.28 0.00 1.90 3.64 -0.85 -1.77 116.57 119.60 1n7r h LYS 320 Ca 0.05 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1n7r h LYS 320 Cb 0.80 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1n7r h LYS 320 CO 0.06 -0.19 -0.03 1.88 -2.27 0.00 0.00 179.45 178.91 1n7r h TYR 321 N -0.29 0.00 -0.02 1.91 0.05 -0.89 -2.92 116.97 114.81 1n7r h TYR 321 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1n7r h TYR 321 Cb 0.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1n7r h TYR 321 CO -0.22 0.03 -0.20 0.25 -1.05 0.00 0.00 178.16 176.96 1n7r n THR 322 N -3.11 0.00 -0.31 -2.88 -2.24 -0.72 -4.47 114.28 100.54 1n7r n THR 322 Ca 0.02 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1n7r n THR 322 Cb 0.44 1.20 0.17 0.00 -2.10 0.00 0.00 70.33 70.04 1n7r n THR 322 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1n7r h ASP 323 N 3.28 1.03 -0.40 3.42 3.45 -1.11 -1.43 116.42 124.66 1n7r h ASP 323 Ca 0.00 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1n7r h ASP 323 Cb 0.81 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.30 1n7r h ASP 323 CO 0.00 0.75 0.25 1.62 -1.57 0.00 0.00 179.24 180.29 1n7r h VAL 324 N 1.22 1.12 -0.57 -1.35 3.04 -1.78 -1.52 116.25 116.40 1n7r h VAL 324 Ca 0.33 -0.26 -0.08 0.00 -1.01 0.00 0.00 66.70 65.69 1n7r h VAL 324 Cb -0.14 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 1n7r h VAL 324 CO -0.07 0.12 0.05 0.40 -1.01 0.00 0.00 177.57 177.05 1n7r h ILE 325 N 0.57 1.25 -0.04 3.17 2.04 -1.53 -2.13 117.51 120.84 1n7r h ILE 325 Ca 0.15 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 1n7r h ILE 325 Cb -0.03 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1n7r h ILE 325 CO -0.03 0.37 -0.40 -0.33 0.00 0.00 0.00 178.15 177.76 1n7r h GLU 326 N 0.88 0.08 0.12 2.37 4.39 -1.08 -2.05 114.58 119.29 1n7r h GLU 326 Ca 0.17 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1n7r h GLU 326 Cb 0.45 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1n7r h GLU 326 CO 0.02 0.47 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.06 1n7r h LYS 327 N 0.06 -0.15 0.00 2.33 3.11 -1.03 -2.86 116.57 118.03 1n7r h LYS 327 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1n7r h LYS 327 Cb 0.74 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1n7r h LYS 327 CO 0.06 0.28 0.00 0.74 -2.81 0.00 0.00 179.45 177.72 1n7r h PHE 328 N -0.65 0.00 -1.43 1.91 0.04 -1.39 -3.37 116.94 112.05 1n7r h PHE 328 Ca -0.02 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.31 1n7r h PHE 328 Cb 0.50 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 38.33 1n7r h PHE 328 CO 0.07 0.00 -0.95 0.28 -0.60 0.00 0.00 178.31 177.11 1n7r n VAL 329 N -2.81 -0.38 0.09 -0.55 0.31 -0.77 -4.61 118.33 109.60 1n7r n VAL 329 Ca 0.02 -3.43 -0.03 0.00 -0.01 0.00 0.00 64.34 60.89 1n7r n VAL 329 Cb 0.36 -0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 1n7r n VAL 329 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1n7r h PRO 330 N 3.69 0.00 -5.32 5.55 0.13 -1.66 -3.42 132.00 130.97 1n7r h PRO 330 Ca 0.02 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.52 1n7r h PRO 330 Cb 0.95 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.88 1n7r h PRO 330 CO 0.41 0.76 -0.63 0.34 -0.23 0.00 0.00 178.00 178.66 1n7r s ASP 331 N -6.56 5.09 0.27 1.44 -1.08 -1.26 -4.99 116.67 109.58 1n7r s ASP 331 Ca 0.02 -0.05 -0.01 0.00 -0.52 0.00 0.00 52.55 51.99 1n7r s ASP 331 Cb 0.09 -1.83 0.59 0.00 -1.46 0.00 0.00 42.92 40.31 1n7r s ASP 331 CO 0.79 0.18 1.70 -0.65 0.52 0.00 0.00 175.17 177.71 1n7r h PRO 332 N 6.62 0.37 0.00 4.34 0.11 -1.89 -3.37 132.00 138.18 1n7r h PRO 332 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n7r h PRO 332 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n7r h PRO 332 CO 0.65 0.24 -0.22 0.93 -0.21 0.00 0.00 178.00 179.40 1n7r h GLU 333 N 0.38 0.00 -6.79 1.05 3.07 -1.94 -3.46 114.58 106.89 1n7r h GLU 333 Ca 0.48 0.00 -0.49 0.00 -0.50 0.00 0.00 59.36 58.85 1n7r h GLU 333 Cb 0.85 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1n7r h GLU 333 CO -0.49 0.00 0.38 -1.01 -1.40 0.00 0.00 179.01 176.49 1n7r s HIS 334 N -1.54 3.82 -0.13 4.33 3.76 -1.26 -3.20 115.29 121.07 1n7r s HIS 334 Ca -0.06 1.84 -0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1n7r s HIS 334 Cb 0.01 -3.05 -0.01 0.00 1.11 0.00 0.00 32.58 30.64 1n7r s HIS 334 CO 0.09 0.15 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.95 1n7r s PHE 335 N -1.26 2.82 0.00 1.40 0.08 -1.24 -4.66 117.98 115.13 1n7r s PHE 335 Ca 0.44 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1n7r s PHE 335 Cb -0.26 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1n7r s PHE 335 CO 0.33 -0.22 0.00 -2.13 -0.10 0.00 0.00 175.22 173.09 1n7r n ARG 336 N 3.58 0.00 0.26 0.44 0.63 -1.26 -2.61 116.66 117.70 1n7r n ARG 336 Ca -0.18 0.26 0.14 0.00 -0.92 0.00 0.00 57.85 57.14 1n7r n ARG 336 Cb 0.53 -2.26 0.81 0.00 0.45 0.00 0.00 32.46 31.99 1n7r n ARG 336 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1n7r h LYS 337 N 0.00 0.00 0.00 -0.14 3.64 -1.83 -1.75 116.57 116.49 1n7r h LYS 337 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n7r h LYS 337 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1n7r h LYS 337 CO 0.00 0.00 -0.32 0.25 -2.27 0.00 0.00 179.45 177.11 1n7r n THR 338 N -4.06 0.46 -1.28 1.00 -2.24 -1.26 -4.64 114.28 102.26 1n7r n THR 338 Ca -0.02 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1n7r n THR 338 Cb 0.15 -0.34 0.23 0.00 -2.10 0.00 0.00 70.33 68.27 1n7r n THR 338 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n7r s THR 339 N -3.13 1.66 -1.41 4.28 -4.23 -0.66 -4.95 115.64 107.21 1n7r s THR 339 Ca 0.09 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.66 1n7r s THR 339 Cb 0.13 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.61 1n7r s THR 339 CO 0.66 0.00 1.06 0.47 -0.54 0.00 0.00 174.62 176.27 1n7r n ASP 340 N -4.58 1.94 -2.70 3.99 9.92 -1.26 -4.36 116.55 119.50 1n7r n ASP 340 Ca 0.14 -2.15 -0.06 0.00 -0.53 0.00 0.00 54.79 52.19 1n7r n ASP 340 Cb 0.60 -0.36 0.07 0.00 -0.64 0.00 0.00 41.12 40.79 1n7r n ASP 340 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1n7r n ASN 341 N 0.22 0.22 -4.04 -2.24 4.13 -1.26 -5.17 115.26 107.11 1n7r n ASN 341 Ca 0.09 -2.47 -0.36 0.00 1.68 0.00 0.00 54.58 53.51 1n7r n ASN 341 Cb 0.38 0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.70 1n7r n ASN 341 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1n7r n PRO 342 N -0.46 -0.00 -0.78 3.52 -0.02 -1.23 -4.92 135.00 131.11 1n7r n PRO 342 Ca 0.02 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1n7r n PRO 342 Cb 0.83 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 1n7r n PRO 342 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1n7r n VAL 343 N -2.39 0.00 -3.77 -1.45 3.14 -1.07 -4.99 118.33 107.81 1n7r n VAL 343 Ca -0.00 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.01 1n7r n VAL 343 Cb 0.55 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.21 1n7r n VAL 343 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1n7r s LYS 344 N -0.56 2.09 -0.43 1.45 1.02 -1.26 -3.63 119.74 118.42 1n7r s LYS 344 Ca 0.00 -1.75 -0.29 0.00 0.02 0.00 0.00 55.97 53.96 1n7r s LYS 344 Cb 0.00 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 1n7r s LYS 344 CO 0.00 -1.03 2.35 0.00 -0.92 0.00 0.00 175.35 175.75 1n7r n ALA 345 N 4.63 1.09 -2.66 5.17 0.00 -1.19 -4.82 120.51 122.73 1n7r n ALA 345 Ca -0.04 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1n7r n ALA 345 Cb 0.42 -2.93 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 1n7r n ALA 345 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n7r s LEU 346 N 9.99 2.18 0.00 0.00 1.43 -1.26 -4.25 118.68 126.77 1n7r s LEU 346 Ca 1.04 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1n7r s LEU 346 Cb -0.43 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1n7r s LEU 346 CO 0.35 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1n7r n GLY 347 N 1.85 1.64 0.16 -3.19 0.00 -1.26 -3.81 105.19 100.58 1n7r n GLY 347 Ca -0.18 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1n7r n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n7r h GLY 348 N 0.00 0.00 1.00 -0.02 0.00 -1.95 -2.44 103.07 99.66 1n7r h GLY 348 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1n7r h GLY 348 CO 0.00 0.00 -0.13 3.43 0.00 0.00 0.00 176.54 179.84 1n7r h ASN 349 N 0.00 0.82 -1.04 0.19 -0.26 -1.92 0.50 115.58 113.86 1n7r h ASN 349 Ca -0.00 -0.37 0.28 0.00 -0.56 0.00 0.00 56.30 55.64 1n7r h ASN 349 Cb 1.12 -0.22 -0.12 0.00 -1.06 0.00 0.00 38.32 38.04 1n7r h ASN 349 CO 0.06 1.01 0.64 0.25 -1.06 0.00 0.00 177.43 178.33 1n7r h LEU 350 N 0.63 0.53 0.22 1.61 5.85 -1.59 0.23 115.31 122.78 1n7r h LEU 350 Ca 0.10 0.12 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 1n7r h LEU 350 Cb 0.66 0.05 0.03 0.00 0.37 0.00 0.00 40.66 41.77 1n7r h LEU 350 CO 0.05 0.04 -1.43 0.58 -0.34 0.00 0.00 178.44 177.33 1n7r h VAL 351 N 0.43 1.32 -0.72 1.05 2.07 -1.33 -2.51 116.25 116.57 1n7r h VAL 351 Ca 0.65 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1n7r h VAL 351 Cb 1.51 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 34.25 1n7r h VAL 351 CO -0.42 0.84 0.45 0.44 0.02 0.00 0.00 177.57 178.90 1n7r h ASP 352 N 0.13 0.84 -0.42 0.57 3.32 -0.02 -1.54 116.42 119.30 1n7r h ASP 352 Ca -0.23 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 56.86 1n7r h ASP 352 Cb 2.12 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.39 1n7r h ASP 352 CO 0.25 0.64 -0.02 -0.03 -1.72 0.00 0.00 179.24 178.36 1n7r h MET 353 N 0.97 0.09 -0.79 3.56 1.85 -0.66 -2.18 114.93 117.76 1n7r h MET 353 Ca 0.26 -0.01 0.18 0.00 -0.61 0.00 0.00 59.70 59.53 1n7r h MET 353 Cb -0.07 -0.02 -0.14 0.00 0.43 0.00 0.00 31.60 31.80 1n7r h MET 353 CO -0.05 0.06 -0.01 0.78 -0.40 0.00 0.00 176.91 177.28 1n7r h GLY 354 N 0.09 0.87 1.34 1.39 0.00 -0.89 0.70 103.07 106.57 1n7r h GLY 354 Ca 0.21 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.50 1n7r h GLY 354 CO -0.36 -0.32 -0.55 3.21 0.00 0.00 0.00 176.54 178.52 1n7r h ARG 355 N 0.08 0.69 0.39 4.80 3.08 -0.96 -1.58 114.38 120.88 1n7r h ARG 355 Ca 0.44 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1n7r h ARG 355 Cb 0.78 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1n7r h ARG 355 CO -0.72 1.06 -0.19 0.28 -1.07 0.00 0.00 179.97 179.34 1n7r h VAL 356 N 0.53 0.62 0.13 2.04 2.07 -0.95 -3.21 116.25 117.48 1n7r h VAL 356 Ca 0.01 -0.05 -0.28 0.00 0.82 0.00 0.00 66.70 67.20 1n7r h VAL 356 Cb 1.13 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1n7r h VAL 356 CO 0.11 0.01 -1.26 0.11 0.02 0.00 0.00 177.57 176.56 1n7r h LYS 357 N -0.55 0.28 -0.23 1.57 1.57 -0.82 -1.95 116.57 116.44 1n7r h LYS 357 Ca -0.05 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1n7r h LYS 357 Cb 0.41 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1n7r h LYS 357 CO 0.09 1.23 0.11 0.28 -0.57 0.00 0.00 179.45 180.58 1n7r h VAL 358 N 0.08 1.15 -0.27 0.50 2.07 -1.45 0.65 116.25 118.98 1n7r h VAL 358 Ca -0.14 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 1n7r h VAL 358 Cb 1.98 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1n7r h VAL 358 CO 0.21 0.15 -0.35 0.40 0.02 0.00 0.00 177.57 178.00 1n7r h ILE 359 N 0.24 1.30 -0.35 4.57 1.08 -1.55 -0.68 117.51 122.12 1n7r h ILE 359 Ca 0.08 -1.54 -0.04 0.00 -0.39 0.00 0.00 64.86 62.97 1n7r h ILE 359 Cb 0.14 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1n7r h ILE 359 CO -0.01 0.49 0.05 0.00 -0.69 0.00 0.00 178.15 178.00 1n7r h ALA 360 N 0.68 1.44 -0.08 1.87 0.00 -1.37 -0.54 119.26 121.27 1n7r h ALA 360 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1n7r h ALA 360 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1n7r h ALA 360 CO 0.08 0.40 -0.07 0.78 0.00 0.00 0.00 179.25 180.45 1n7r h GLY 361 N 0.78 -0.00 1.02 0.00 0.00 -0.53 0.37 103.07 104.71 1n7r h GLY 361 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1n7r h GLY 361 CO 0.00 -0.08 0.31 1.41 0.00 0.00 0.00 176.54 178.18 1n7r h LEU 362 N -0.08 0.98 -0.73 3.11 3.38 -0.80 -2.10 115.31 119.06 1n7r h LEU 362 Ca 0.06 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1n7r h LEU 362 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1n7r h LEU 362 CO -0.13 0.87 -0.19 -0.07 0.09 0.00 0.00 178.44 179.01 1n7r h LEU 363 N 1.02 0.77 -1.21 1.67 3.38 0.09 -2.81 115.31 118.23 1n7r h LEU 363 Ca 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n7r h LEU 363 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1n7r h LEU 363 CO -0.02 0.95 0.00 0.54 0.09 0.00 0.00 178.44 180.00 1n7r n ARG 364 N -4.13 1.83 -3.34 1.13 1.74 0.12 -4.84 116.66 109.17 1n7r n ARG 364 Ca 0.01 -1.21 -0.17 0.00 -0.77 0.00 0.00 57.85 55.70 1n7r n ARG 364 Cb 0.41 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.46 1n7r n ARG 364 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n7r n LYS 365 N 0.46 -6.31 -3.99 5.56 5.02 -1.01 -5.00 118.16 112.88 1n7r n LYS 365 Ca 0.18 0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 1n7r n LYS 365 Cb 0.41 -5.46 -0.15 0.00 -0.02 0.00 0.00 35.03 29.81 1n7r n LYS 365 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n7r s ASP 366 N -3.81 4.82 0.22 4.39 -1.08 -0.82 -5.02 116.67 115.37 1n7r s ASP 366 Ca 0.22 -2.09 -0.02 0.00 -0.52 0.00 0.00 52.55 50.13 1n7r s ASP 366 Cb -0.10 -1.65 0.20 0.00 -1.46 0.00 0.00 42.92 39.91 1n7r s ASP 366 CO 0.64 -0.39 1.59 0.44 0.52 0.00 0.00 175.17 177.97 1n7r h ASP 367 N 7.68 0.64 -0.67 -0.34 3.45 -1.95 -2.89 116.42 122.34 1n7r h ASP 367 Ca -0.06 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.05 1n7r h ASP 367 Cb 1.03 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.59 1n7r h ASP 367 CO 0.54 0.96 0.16 -0.61 -1.57 0.00 0.00 179.24 178.72 1n7r h GLN 368 N 0.50 1.07 -0.45 3.56 -0.00 -1.98 -2.68 115.11 115.13 1n7r h GLN 368 Ca 0.05 -0.26 -0.06 0.00 -0.00 0.00 0.00 58.65 58.38 1n7r h GLN 368 Cb 0.89 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.21 1n7r h GLN 368 CO 0.08 0.95 0.05 1.49 0.00 0.00 0.00 178.83 181.40 1n7r h GLU 369 N 0.99 0.70 0.47 1.69 4.81 -1.90 -1.73 114.58 119.62 1n7r h GLU 369 Ca 0.21 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1n7r h GLU 369 Cb 0.36 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1n7r h GLU 369 CO 0.00 0.68 -0.23 0.82 -0.73 0.00 0.00 179.01 179.56 1n7r h ILE 370 N 0.67 0.00 -0.40 2.32 2.04 -1.35 -2.54 117.51 118.25 1n7r h ILE 370 Ca 0.14 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.62 1n7r h ILE 370 Cb 0.35 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.35 1n7r h ILE 370 CO 0.01 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.82 1n7r h SER 371 N -1.10 -0.41 0.56 1.72 4.64 -1.53 -0.44 113.55 116.99 1n7r h SER 371 Ca -0.06 0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 1n7r h SER 371 Cb 0.49 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1n7r h SER 371 CO 0.11 -0.14 -0.51 0.77 -0.87 0.00 0.00 176.83 176.18 1n7r h SER 372 N -0.02 0.00 -0.14 4.97 4.64 -1.43 -0.17 113.55 121.41 1n7r h SER 372 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 1n7r h SER 372 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1n7r h SER 372 CO -0.42 0.51 -0.39 0.74 -0.87 0.00 0.00 176.83 176.40 1n7r h THR 373 N 0.00 1.29 0.33 2.95 2.02 -1.28 -2.19 112.91 116.04 1n7r h THR 373 Ca -0.01 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 1n7r h THR 373 Cb 0.93 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1n7r h THR 373 CO 0.07 0.50 -0.16 0.40 0.37 0.00 0.00 175.52 176.70 1n7r h ILE 374 N 0.55 0.68 -1.00 3.11 2.04 -0.38 -1.20 117.51 121.30 1n7r h ILE 374 Ca 0.05 -0.45 0.22 0.00 1.00 0.00 0.00 64.86 65.68 1n7r h ILE 374 Cb 0.91 0.91 -0.12 0.00 -0.74 0.00 0.00 36.82 37.78 1n7r h ILE 374 CO 0.08 0.09 0.60 0.03 0.00 0.00 0.00 178.15 178.95 1n7r h ARG 375 N -0.70 0.65 -0.18 2.37 -0.00 -1.07 -0.02 114.38 115.42 1n7r h ARG 375 Ca -0.05 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.98 59.28 1n7r h ARG 375 Cb 0.49 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.31 1n7r h ARG 375 CO 0.07 0.43 -0.34 1.03 0.00 0.00 0.00 179.97 181.16 1n7r h SER 376 N 0.67 0.60 -0.48 7.04 0.87 -1.26 -3.01 113.55 117.98 1n7r h SER 376 Ca 0.61 -0.55 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1n7r h SER 376 Cb 1.07 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1n7r h SER 376 CO -0.43 1.04 0.32 0.40 -0.53 0.00 0.00 176.83 177.62 1n7r h ILE 377 N 0.19 1.07 -0.19 2.23 2.04 0.22 -3.12 117.51 119.96 1n7r h ILE 377 Ca 0.01 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1n7r h ILE 377 Cb 0.93 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1n7r h ILE 377 CO 0.08 0.10 0.24 -0.33 0.00 0.00 0.00 178.15 178.24 1n7r h GLU 378 N 0.57 0.00 0.00 2.37 5.08 -1.08 -1.31 114.58 120.21 1n7r h GLU 378 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1n7r h GLU 378 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n7r h GLU 378 CO -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.96 1n7r n GLN 379 N -3.66 0.14 0.25 2.33 10.64 -1.18 -2.01 117.38 123.89 1n7r n GLN 379 Ca 0.02 0.44 0.11 0.00 -1.83 0.00 0.00 57.00 55.74 1n7r n GLN 379 Cb 0.36 -1.80 0.67 0.00 -0.86 0.00 0.00 30.24 28.60 1n7r n GLN 379 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 1n7r h VAL 380 N 0.00 0.64 0.00 -0.39 3.04 -1.46 -2.64 116.25 115.44 1n7r h VAL 380 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1n7r h VAL 380 Cb 0.26 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1n7r h VAL 380 CO 0.00 0.14 0.00 0.49 -1.01 0.00 0.00 177.57 177.19 1n7r n PHE 381 N -3.69 0.00 -2.84 3.17 3.72 -0.85 -4.81 117.46 112.16 1n7r n PHE 381 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1n7r n PHE 381 Cb 0.27 -0.44 -0.05 0.00 -0.94 0.00 0.00 39.48 38.32 1n7r n PHE 381 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1n7r s LYS 382 N -2.88 4.61 0.34 -1.08 1.02 -1.00 -5.00 119.74 115.75 1n7r s LYS 382 Ca 0.12 1.28 -0.28 0.00 0.02 0.00 0.00 55.97 57.11 1n7r s LYS 382 Cb 0.13 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 1n7r s LYS 382 CO 0.34 0.25 1.18 -0.51 -0.92 0.00 0.00 175.35 175.69 1n7r s LEU 383 N -0.03 4.39 0.31 3.17 1.02 -1.26 -4.67 118.68 121.62 1n7r s LEU 383 Ca 0.43 2.41 0.08 0.00 0.02 0.00 0.00 54.13 57.07 1n7r s LEU 383 Cb -0.22 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.18 1n7r s LEU 383 CO 0.27 -0.43 0.14 0.68 0.02 0.00 0.00 176.35 177.03 1n7r s VAL 384 N -1.25 3.38 -1.28 -1.59 -7.23 -0.71 -5.03 120.40 106.70 1n7r s VAL 384 Ca 0.50 -1.65 0.12 0.00 -1.81 0.00 0.00 61.98 59.14 1n7r s VAL 384 Cb -0.33 -3.04 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1n7r s VAL 384 CO 0.43 -0.24 0.78 -0.67 -0.31 0.00 0.00 175.10 175.09 1n7r n ASP 385 N -1.13 1.65 -3.60 4.85 4.64 -1.26 -4.49 116.55 117.20 1n7r n ASP 385 Ca -0.04 -1.32 -0.06 0.00 -1.38 0.00 0.00 54.79 51.99 1n7r n ASP 385 Cb 0.60 0.24 -0.04 0.00 -1.04 0.00 0.00 41.12 40.89 1n7r n ASP 385 CO 0.00 0.00 0.00 -1.58 -0.82 0.00 0.00 177.20 174.80 1n7r s GLN 386 N -1.26 0.33 3.16 -0.67 0.74 -1.26 -5.14 119.66 115.56 1n7r s GLN 386 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.53 1n7r s GLN 386 Cb 0.10 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.36 1n7r s GLN 386 CO 0.22 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.25 1n7r n GLY 387 N 0.36 -0.01 3.84 2.59 0.00 -1.26 -4.87 105.19 105.84 1n7r n GLY 387 Ca -0.03 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 1n7r n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n7r s GLU 388 N 0.00 4.05 0.00 1.61 2.02 -1.26 -4.68 118.70 120.45 1n7r s GLU 388 Ca 0.00 0.72 0.00 0.00 0.02 0.00 0.00 54.97 55.71 1n7r s GLU 388 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1n7r s GLU 388 CO 0.00 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1n7r n GLY 389 N -0.19 0.25 3.85 -1.39 0.00 -0.47 -4.77 105.19 102.47 1n7r n GLY 389 Ca 0.03 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1n7r n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n7r s PHE 390 N -0.09 3.56 0.14 1.61 0.08 -1.26 -2.04 117.98 119.98 1n7r s PHE 390 Ca 0.00 0.99 0.09 0.00 0.12 0.00 0.00 56.93 58.13 1n7r s PHE 390 Cb 0.00 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1n7r s PHE 390 CO 0.00 0.40 -0.14 0.71 -0.10 0.00 0.00 175.22 176.09 1n7r s TYR 391 N -1.54 2.60 0.38 0.36 1.51 -0.70 -1.73 117.35 118.22 1n7r s TYR 391 Ca 0.39 -0.23 0.32 0.00 -1.01 0.00 0.00 57.07 56.54 1n7r s TYR 391 Cb -0.14 -1.33 1.74 0.00 -0.11 0.00 0.00 41.96 42.12 1n7r s TYR 391 CO 0.19 0.45 1.97 -0.56 -1.11 0.00 0.00 175.55 176.49 1n7r h GLN 392 N 3.37 0.00 -0.26 -0.62 3.07 -1.89 0.15 115.11 118.94 1n7r h GLN 392 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1n7r h GLN 392 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1n7r h GLN 392 CO 0.50 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 179.02 1n7r n ASP 393 N -2.71 2.19 0.00 0.06 5.68 -1.26 -4.96 116.55 115.54 1n7r n ASP 393 Ca -0.02 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1n7r n ASP 393 Cb 0.16 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1n7r n ASP 393 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n7r n GLY 394 N 1.23 1.31 3.57 6.12 0.00 0.04 -4.61 105.19 112.85 1n7r n GLY 394 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1n7r n GLY 394 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n7r n SER 395 N 0.00 0.38 -3.98 1.61 7.64 -1.26 -4.40 113.62 113.61 1n7r n SER 395 Ca 0.00 0.85 -0.27 0.00 1.01 0.00 0.00 58.87 60.47 1n7r n SER 395 Cb 0.00 -1.31 -0.17 0.00 -1.01 0.00 0.00 64.21 61.72 1n7r n SER 395 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1n7r s TYR 396 N -1.50 1.62 -0.00 1.43 6.14 -1.26 -1.73 117.35 122.05 1n7r s TYR 396 Ca 0.70 -0.74 0.03 0.00 0.64 0.00 0.00 57.07 57.69 1n7r s TYR 396 Cb -0.47 -1.24 -0.03 0.00 0.42 0.00 0.00 41.96 40.64 1n7r s TYR 396 CO 0.52 -0.44 -0.05 0.42 0.64 0.00 0.00 175.55 176.64 1n7r s ILE 397 N 1.19 3.77 0.27 3.14 -1.09 -0.87 -1.44 121.20 126.18 1n7r s ILE 397 Ca -0.04 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1n7r s ILE 397 Cb -0.14 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 1n7r s ILE 397 CO -0.03 0.40 0.42 -0.62 -1.23 0.00 0.00 174.94 173.88 1n7r s ASP 398 N -1.42 0.22 -1.45 3.58 -1.08 -0.60 -1.37 116.67 114.55 1n7r s ASP 398 Ca 0.17 -1.17 -0.09 0.00 -0.52 0.00 0.00 52.55 50.95 1n7r s ASP 398 Cb -0.11 0.57 0.01 0.00 -1.46 0.00 0.00 42.92 41.93 1n7r s ASP 398 CO 0.08 -1.14 0.20 1.41 0.52 0.00 0.00 175.17 176.24 1n7r n HIS 399 N -0.41 -1.32 0.00 -5.34 8.25 -1.26 -1.26 115.22 113.87 1n7r n HIS 399 Ca -0.00 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1n7r n HIS 399 Cb 0.62 -2.86 0.00 0.00 1.12 0.00 0.00 29.99 28.88 1n7r n HIS 399 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1n7r n THR 400 N -4.70 0.00 -2.65 1.59 -1.04 -1.26 -4.07 114.28 102.15 1n7r n THR 400 Ca -0.27 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.75 1n7r n THR 400 Cb 0.66 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.21 1n7r n THR 400 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n7r n ASN 401 N 3.95 1.04 -4.29 8.00 6.94 -1.21 -4.40 115.26 125.30 1n7r n ASN 401 Ca 0.00 -2.02 -0.33 0.00 -0.02 0.00 0.00 54.58 52.21 1n7r n ASN 401 Cb 0.00 -0.30 -0.15 0.00 -2.36 0.00 0.00 39.78 36.97 1n7r n ASN 401 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1n7r s VAL 402 N -1.87 2.69 -0.27 3.53 1.01 -0.39 -1.57 120.40 123.53 1n7r s VAL 402 Ca 0.27 -0.78 -0.35 0.00 0.00 0.00 0.00 61.98 61.13 1n7r s VAL 402 Cb 0.34 -2.12 -0.11 0.00 0.00 0.00 0.00 36.38 34.49 1n7r s VAL 402 CO -0.10 0.52 2.07 0.00 0.00 0.00 0.00 175.10 177.60 1n7r n ALA 403 N 3.84 0.95 -1.71 5.51 0.00 -1.26 -1.55 120.51 126.29 1n7r n ALA 403 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1n7r n ALA 403 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1n7r n ALA 403 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n7r n TYR 404 N 8.75 0.00 -0.34 0.00 4.01 -0.52 -4.43 117.16 124.63 1n7r n TYR 404 Ca 0.34 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.26 1n7r n TYR 404 Cb 0.25 -0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.69 1n7r n TYR 404 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1n7r h THR 405 N 5.49 0.54 -0.33 -0.72 2.02 -1.60 -1.55 112.91 116.75 1n7r h THR 405 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1n7r h THR 405 Cb 1.23 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1n7r h THR 405 CO 0.00 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.60 1n7r n GLY 406 N -1.34 0.88 1.63 2.16 0.00 -0.40 -1.46 105.19 106.67 1n7r n GLY 406 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1n7r n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7r n ALA 407 N 0.73 3.00 -0.03 4.61 0.00 -1.02 -4.58 120.51 123.22 1n7r n ALA 407 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 1n7r n ALA 407 Cb 0.39 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 1n7r n ALA 407 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n7r h TYR 408 N 0.00 1.02 -0.96 0.00 0.05 -1.68 -1.90 116.97 113.50 1n7r h TYR 408 Ca 0.00 -0.42 0.16 0.00 0.05 0.00 0.00 58.73 58.52 1n7r h TYR 408 Cb 0.00 -0.17 -0.10 0.00 1.01 0.00 0.00 36.73 37.47 1n7r h TYR 408 CO 0.00 1.24 0.57 0.78 -1.05 0.00 0.00 178.16 179.70 1n7r h GLY 409 N 0.69 1.64 0.80 3.88 0.00 -0.95 -1.44 103.07 107.68 1n7r h GLY 409 Ca -0.03 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1n7r h GLY 409 CO 0.14 0.01 0.26 3.43 0.00 0.00 0.00 176.54 180.38 1n7r h ASN 410 N 0.79 0.40 -0.73 0.19 4.21 -0.78 -2.13 115.58 117.53 1n7r h ASN 410 Ca 0.52 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 58.04 1n7r h ASN 410 Cb 0.72 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.82 1n7r h ASN 410 CO -0.34 0.28 0.41 0.58 -1.29 0.00 0.00 177.43 177.06 1n7r h VAL 411 N 0.52 1.22 -0.38 2.81 2.07 -0.62 0.23 116.25 122.09 1n7r h VAL 411 Ca 0.20 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1n7r h VAL 411 Cb 0.08 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1n7r h VAL 411 CO -0.12 0.24 -0.39 0.25 0.02 0.00 0.00 177.57 177.57 1n7r h LEU 412 N 1.03 0.99 0.12 2.57 6.46 -1.17 0.15 115.31 125.47 1n7r h LEU 412 Ca 0.26 -0.46 -0.27 0.00 -0.12 0.00 0.00 57.88 57.30 1n7r h LEU 412 Cb 0.02 -0.28 0.03 0.00 -0.73 0.00 0.00 40.66 39.70 1n7r h LEU 412 CO -0.04 1.26 -1.12 -0.29 -0.62 0.00 0.00 178.44 177.62 1n7r h ILE 413 N 0.76 1.34 -0.28 4.05 2.10 -0.76 -2.69 117.51 122.04 1n7r h ILE 413 Ca 0.06 -2.45 0.07 0.00 1.08 0.00 0.00 64.86 63.62 1n7r h ILE 413 Cb 0.99 2.81 -0.08 0.00 -1.09 0.00 0.00 36.82 39.45 1n7r h ILE 413 CO 0.10 0.73 -0.29 -0.78 -1.08 0.00 0.00 178.15 176.83 1n7r h ASP 414 N 0.11 -0.94 0.00 2.19 1.82 -0.56 -1.77 116.42 117.27 1n7r h ASP 414 Ca -0.18 0.16 -0.15 0.00 -0.39 0.00 0.00 57.03 56.48 1n7r h ASP 414 Cb 1.83 0.43 0.01 0.00 0.68 0.00 0.00 39.33 42.28 1n7r h ASP 414 CO 0.21 -0.31 -0.58 1.23 -1.61 0.00 0.00 179.24 178.18 1n7r h GLY 415 N -0.28 0.43 0.97 -0.78 0.00 -0.76 -2.30 103.07 100.35 1n7r h GLY 415 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.74 1n7r h GLY 415 CO -0.44 0.68 0.61 -2.00 0.00 0.00 0.00 176.54 175.39 1n7r h LEU 416 N -0.14 1.01 -0.46 3.11 5.85 -1.54 -2.24 115.31 120.90 1n7r h LEU 416 Ca -0.07 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 1n7r h LEU 416 Cb 1.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1n7r h LEU 416 CO 0.11 0.69 -0.67 0.77 -0.34 0.00 0.00 178.44 179.01 1n7r h SER 417 N 1.17 0.49 -0.42 1.25 4.64 -1.11 -1.28 113.55 118.30 1n7r h SER 417 Ca 0.37 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1n7r h SER 417 Cb 0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1n7r h SER 417 CO -0.11 1.02 0.22 1.56 -0.87 0.00 0.00 176.83 178.65 1n7r h GLN 418 N 0.30 0.60 -0.13 4.77 4.20 -1.26 -3.30 115.11 120.29 1n7r h GLN 418 Ca -0.02 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 1n7r h GLN 418 Cb 1.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1n7r h GLN 418 CO 0.12 0.50 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.19 1n7r h LEU 419 N 0.55 0.40 -0.94 1.46 3.38 -1.27 -3.39 115.31 115.51 1n7r h LEU 419 Ca 0.15 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1n7r h LEU 419 Cb 0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1n7r h LEU 419 CO -0.02 0.85 0.60 -0.07 0.09 0.00 0.00 178.44 179.89 1n7r h LEU 420 N 0.29 0.96 -1.65 1.67 3.38 -1.31 -0.32 115.31 118.33 1n7r h LEU 420 Ca 0.01 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1n7r h LEU 420 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1n7r h LEU 420 CO 0.09 0.63 0.35 -0.65 0.09 0.00 0.00 178.44 178.95 1n7r h PRO 421 N 1.11 0.41 0.25 1.13 0.11 -1.79 -0.68 132.00 132.54 1n7r h PRO 421 Ca 0.40 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 1n7r h PRO 421 Cb 0.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1n7r h PRO 421 CO -0.16 0.27 -0.12 0.28 -0.21 0.00 0.00 178.00 178.06 1n7r h VAL 422 N 0.42 0.58 -0.89 3.15 2.07 -1.49 -3.27 116.25 116.81 1n7r h VAL 422 Ca 0.23 -0.91 0.19 0.00 0.82 0.00 0.00 66.70 67.04 1n7r h VAL 422 Cb 0.38 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1n7r h VAL 422 CO -0.06 0.14 0.59 0.40 0.02 0.00 0.00 177.57 178.66 1n7r h ILE 423 N -0.93 0.70 0.00 4.57 2.04 -0.88 -1.94 117.51 121.07 1n7r h ILE 423 Ca -0.03 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1n7r h ILE 423 Cb 0.49 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1n7r h ILE 423 CO 0.06 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.85 1n7r h GLN 424 N 0.44 0.00 -0.44 2.37 1.08 -1.19 -2.80 115.11 114.57 1n7r h GLN 424 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 1n7r h GLN 424 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1n7r h GLN 424 CO -0.18 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.33 1n7r n LYS 425 N -2.32 2.52 -2.29 1.46 5.02 -0.73 -4.77 118.16 117.04 1n7r n LYS 425 Ca 0.03 -2.19 -0.26 0.00 -2.02 0.00 0.00 58.31 53.86 1n7r n LYS 425 Cb 0.29 -1.40 0.13 0.00 -0.02 0.00 0.00 35.03 34.03 1n7r n LYS 425 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1n7r s THR 426 N -1.09 2.11 0.49 -0.18 -4.23 -1.05 -4.94 115.64 106.74 1n7r s THR 426 Ca 0.33 -0.33 0.21 0.00 -1.18 0.00 0.00 61.69 60.72 1n7r s THR 426 Cb 0.18 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 71.62 1n7r s THR 426 CO 0.24 0.00 1.99 0.11 -0.54 0.00 0.00 174.62 176.42 1n7r h LYS 427 N -0.95 0.15 -2.17 3.99 1.57 -1.94 -3.33 116.57 113.89 1n7r h LYS 427 Ca -0.40 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.75 1n7r h LYS 427 Cb 1.26 -0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 1n7r h LYS 427 CO 0.42 0.10 -0.40 0.09 -0.57 0.00 0.00 179.45 179.09 1n7r n ASN 428 N -4.42 4.97 -4.32 0.86 4.13 -1.26 -5.09 115.26 110.13 1n7r n ASN 428 Ca 0.10 -3.70 -0.29 0.00 1.68 0.00 0.00 54.58 52.38 1n7r n ASN 428 Cb 0.53 -0.64 0.25 0.00 -1.54 0.00 0.00 39.78 38.38 1n7r n ASN 428 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1n7r s PRO 429 N -3.61 -1.14 -0.26 3.52 0.04 -1.25 -4.94 135.00 127.35 1n7r s PRO 429 Ca 0.48 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 1n7r s PRO 429 Cb 0.29 -1.55 -0.02 0.00 0.04 0.00 0.00 34.50 33.26 1n7r s PRO 429 CO -0.15 -3.81 0.08 0.42 0.04 0.00 0.00 177.00 173.58 1n7r s ILE 430 N -2.54 4.31 0.06 0.56 1.01 -1.26 -5.04 121.20 118.31 1n7r s ILE 430 Ca 0.68 -0.26 -0.37 0.00 0.00 0.00 0.00 60.65 60.70 1n7r s ILE 430 Cb -0.21 -3.06 -0.18 0.00 0.01 0.00 0.00 42.46 39.01 1n7r s ILE 430 CO 0.62 0.28 1.08 0.47 0.00 0.00 0.00 174.94 177.39 1n7r n ASP 431 N 4.93 0.39 -0.28 3.58 10.43 -1.26 -4.81 116.55 129.53 1n7r n ASP 431 Ca -0.16 1.15 0.01 0.00 2.57 0.00 0.00 54.79 58.36 1n7r n ASP 431 Cb 0.51 -1.02 0.04 0.00 1.84 0.00 0.00 41.12 42.48 1n7r n ASP 431 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1n7r n LYS 432 N 1.70 1.25 0.08 -1.24 5.02 -1.26 -2.48 118.16 121.23 1n7r n LYS 432 Ca 0.19 -0.30 0.04 0.00 -2.02 0.00 0.00 58.31 56.22 1n7r n LYS 432 Cb 0.14 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1n7r n LYS 432 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1n7r h ASP 433 N 0.46 0.00 0.86 4.39 3.04 -2.03 -3.30 116.42 119.83 1n7r h ASP 433 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1n7r h ASP 433 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1n7r h ASP 433 CO 0.01 0.37 -0.01 0.29 -2.04 0.00 0.00 179.24 177.87 1n7r n LYS 434 N -2.90 0.13 0.06 4.15 5.02 -1.04 -2.86 118.16 120.73 1n7r n LYS 434 Ca -0.04 -0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.22 1n7r n LYS 434 Cb 0.72 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.45 1n7r n LYS 434 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1n7r h MET 435 N 0.00 0.34 -0.06 1.97 2.86 -1.71 -2.92 114.93 115.42 1n7r h MET 435 Ca 0.00 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1n7r h MET 435 Cb 0.43 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1n7r h MET 435 CO 0.00 0.64 -0.13 1.96 1.06 0.00 0.00 176.91 180.45 1n7r h GLN 436 N 0.30 0.09 -0.51 1.72 7.50 -1.72 -2.21 115.11 120.28 1n7r h GLN 436 Ca 0.04 -0.02 -0.11 0.00 0.50 0.00 0.00 58.65 59.06 1n7r h GLN 436 Cb 0.74 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.24 1n7r h GLN 436 CO 0.06 0.22 -0.13 1.15 -1.50 0.00 0.00 178.83 178.63 1n7r h THR 437 N 0.09 1.27 -0.54 -0.54 2.02 -1.66 -2.26 112.91 111.28 1n7r h THR 437 Ca 0.02 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 65.88 1n7r h THR 437 Cb 0.28 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1n7r h THR 437 CO 0.02 0.44 0.15 0.24 0.37 0.00 0.00 175.52 176.75 1n7r h MET 438 N 0.85 0.85 -0.63 6.66 2.86 -1.37 -1.40 114.93 122.76 1n7r h MET 438 Ca 0.13 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1n7r h MET 438 Cb 0.68 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1n7r h MET 438 CO 0.05 0.79 0.27 1.88 1.06 0.00 0.00 176.91 180.96 1n7r h TYR 439 N 0.75 0.90 -0.19 -0.22 0.05 -1.34 -1.59 116.97 115.34 1n7r h TYR 439 Ca 0.17 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 1n7r h TYR 439 Cb 0.30 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1n7r h TYR 439 CO 0.02 0.68 0.06 1.25 -1.05 0.00 0.00 178.16 179.11 1n7r h HIS 440 N 0.89 0.30 -0.77 4.88 2.76 -1.28 -2.20 115.15 119.74 1n7r h HIS 440 Ca 0.22 -0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.51 1n7r h HIS 440 Cb 0.14 -0.09 -0.10 0.00 1.55 0.00 0.00 27.41 28.91 1n7r h HIS 440 CO 0.01 0.39 0.27 -1.49 -1.30 0.00 0.00 177.93 175.82 1n7r h TRP 441 N 0.12 0.45 0.41 5.26 6.55 -0.32 0.29 115.95 128.71 1n7r h TRP 441 Ca 0.06 0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 1n7r h TRP 441 Cb 0.24 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 1n7r h TRP 441 CO 0.00 -0.01 -0.20 0.82 -1.05 0.00 0.00 178.44 178.01 1n7r h ILE 442 N 0.38 0.60 -0.08 1.49 2.04 -1.18 0.56 117.51 121.31 1n7r h ILE 442 Ca 0.44 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 66.16 1n7r h ILE 442 Cb 0.72 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1n7r h ILE 442 CO -0.46 0.02 -0.05 0.44 0.00 0.00 0.00 178.15 178.10 1n7r h ASP 443 N -0.62 0.19 0.20 1.72 3.32 -1.12 -0.49 116.42 119.62 1n7r h ASP 443 Ca -0.06 -0.44 -0.29 0.00 0.02 0.00 0.00 57.03 56.27 1n7r h ASP 443 Cb 0.46 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 39.99 1n7r h ASP 443 CO 0.09 0.58 -1.29 0.11 -1.72 0.00 0.00 179.24 177.01 1n7r h LYS 444 N -0.21 0.43 0.00 3.56 1.79 -0.50 -3.40 116.57 118.24 1n7r h LYS 444 Ca 0.02 -0.73 -0.40 0.00 -2.18 0.00 0.00 60.65 57.36 1n7r h LYS 444 Cb 0.52 0.27 -0.07 0.00 -1.58 0.00 0.00 32.23 31.37 1n7r h LYS 444 CO 0.01 1.35 -2.48 0.43 -1.08 0.00 0.00 179.45 177.68 1n7r n SER 445 N -3.85 1.98 -0.11 0.86 7.64 0.14 -4.68 113.62 115.61 1n7r n SER 445 Ca -0.18 -0.09 -0.18 0.00 1.01 0.00 0.00 58.87 59.43 1n7r n SER 445 Cb 1.00 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 1n7r n SER 445 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n7r n PHE 446 N -3.35 0.27 -0.27 1.43 3.72 -0.92 -4.45 117.46 113.88 1n7r n PHE 446 Ca -0.47 0.12 0.01 0.00 -0.05 0.00 0.00 57.45 57.06 1n7r n PHE 446 Cb 0.98 -0.81 0.08 0.00 -0.94 0.00 0.00 39.48 38.79 1n7r n PHE 446 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n7r h ALA 447 N -0.93 0.44 -0.04 4.37 0.00 -1.30 -0.37 119.26 121.44 1n7r h ALA 447 Ca -0.32 0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n7r h ALA 447 Cb 1.21 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1n7r h ALA 447 CO -0.19 -0.44 0.03 -1.35 0.00 0.00 0.00 179.25 177.29 1n7r h PRO 448 N -0.02 0.00 0.00 0.00 0.11 -1.80 -1.71 132.00 128.59 1n7r h PRO 448 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1n7r h PRO 448 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1n7r h PRO 448 CO -0.81 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.26 1n7r n LEU 449 N -4.15 0.00 -4.14 2.35 4.77 -0.15 -4.77 117.00 110.92 1n7r n LEU 449 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 1n7r n LEU 449 Cb 0.12 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1n7r n LEU 449 CO 0.30 0.00 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.21 1n7r s LEU 450 N -1.76 3.67 -0.15 2.23 1.43 -0.64 -1.24 118.68 122.22 1n7r s LEU 450 Ca 0.29 -1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1n7r s LEU 450 Cb 0.13 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.74 1n7r s LEU 450 CO 0.22 -0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 175.82 1n7r s VAL 451 N 1.20 1.12 -1.28 -1.59 1.01 0.80 -4.72 120.40 116.95 1n7r s VAL 451 Ca -0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1n7r s VAL 451 Cb -0.20 -1.23 0.07 0.00 0.00 0.00 0.00 36.38 35.02 1n7r s VAL 451 CO -0.03 0.21 0.48 0.59 0.00 0.00 0.00 175.10 176.36 1n7r n ASN 452 N 4.89 -3.67 0.00 3.32 3.02 -1.26 -0.84 115.26 120.71 1n7r n ASN 452 Ca -0.12 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1n7r n ASN 452 Cb 0.48 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 1n7r n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n7r n GLY 453 N -1.16 0.68 3.47 7.41 0.00 -1.26 -4.35 105.19 109.98 1n7r n GLY 453 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1n7r n GLY 453 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n7r s GLU 454 N -0.35 3.25 -0.35 1.61 2.12 -0.02 -4.36 118.70 120.59 1n7r s GLU 454 Ca 0.00 -0.60 -0.16 0.00 0.36 0.00 0.00 54.97 54.57 1n7r s GLU 454 Cb 0.00 -2.69 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1n7r s GLU 454 CO 0.00 0.36 0.40 -1.17 -0.54 0.00 0.00 175.26 174.31 1n7r s LEU 455 N -0.01 4.49 0.08 2.70 2.96 -0.82 -0.14 118.68 127.94 1n7r s LEU 455 Ca -0.02 -0.26 -0.35 0.00 -0.22 0.00 0.00 54.13 53.28 1n7r s LEU 455 Cb -0.14 -2.39 -0.14 0.00 0.50 0.00 0.00 46.19 44.02 1n7r s LEU 455 CO 0.03 -0.40 1.58 0.23 -1.32 0.00 0.00 176.35 176.48 1n7r n MET 456 N 5.47 1.89 0.28 1.98 2.81 -0.37 -4.68 117.12 124.48 1n7r n MET 456 Ca -0.08 0.68 0.12 0.00 -1.81 0.00 0.00 57.70 56.61 1n7r n MET 456 Cb 0.49 -2.43 0.77 0.00 -0.71 0.00 0.00 33.22 31.34 1n7r n MET 456 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1n7r h ASP 457 N 6.23 0.00 0.63 7.83 3.32 -1.95 -1.80 116.42 130.68 1n7r h ASP 457 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1n7r h ASP 457 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1n7r h ASP 457 CO 0.88 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.42 1n7r h MET 458 N 0.00 0.00 -0.23 3.56 -0.00 -1.96 -0.63 114.93 115.68 1n7r h MET 458 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1n7r h MET 458 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 1n7r h MET 458 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.91 175.78 1n7r n SER 459 N -2.75 2.98 -0.68 -0.10 3.41 -0.68 -4.58 113.62 111.23 1n7r n SER 459 Ca 0.00 -1.93 0.07 0.00 -0.26 0.00 0.00 58.87 56.75 1n7r n SER 459 Cb 0.21 -0.14 0.13 0.00 -0.26 0.00 0.00 64.21 64.15 1n7r n SER 459 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n7r n ARG 460 N 1.23 2.02 0.00 4.33 1.74 -0.24 -1.27 116.66 124.46 1n7r n ARG 460 Ca 0.17 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1n7r n ARG 460 Cb 0.56 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1n7r n ARG 460 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n7r n GLY 461 N 0.75 2.78 0.11 -0.13 0.00 -1.25 -1.20 105.19 106.25 1n7r n GLY 461 Ca 0.12 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1n7r n GLY 461 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n7r n ARG 462 N 14.00 0.16 0.33 1.61 1.85 -1.26 -3.24 116.66 130.10 1n7r n ARG 462 Ca 0.00 0.40 0.22 0.00 -1.00 0.00 0.00 57.85 57.47 1n7r n ARG 462 Cb 0.00 -1.81 1.11 0.00 -1.05 0.00 0.00 32.46 30.71 1n7r n ARG 462 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1n7r h SER 463 N 0.00 0.00 -0.06 2.89 0.02 -1.52 -2.29 113.55 112.59 1n7r h SER 463 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1n7r h SER 463 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 1n7r h SER 463 CO 0.00 0.00 0.26 0.16 -1.14 0.00 0.00 176.83 176.11 1n7r h ILE 464 N 0.00 0.09 -0.43 3.27 3.07 -1.67 -2.28 117.51 119.57 1n7r h ILE 464 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n7r h ILE 464 Cb 0.11 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1n7r h ILE 464 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1n7r n SER 465 N -3.12 3.08 -4.35 2.16 3.41 -0.86 -4.82 113.62 109.13 1n7r n SER 465 Ca -0.01 -2.23 -0.37 0.00 -0.26 0.00 0.00 58.87 56.00 1n7r n SER 465 Cb 0.34 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 1n7r n SER 465 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1n7r s ARG 466 N -1.67 3.11 0.48 4.33 0.52 -0.86 -4.65 118.95 120.22 1n7r s ARG 466 Ca 0.32 -0.84 0.27 0.00 -0.52 0.00 0.00 55.73 54.96 1n7r s ARG 466 Cb 0.20 -3.39 1.32 0.00 0.52 0.00 0.00 34.95 33.61 1n7r s ARG 466 CO 0.17 -0.44 1.84 0.00 0.02 0.00 0.00 175.30 176.89 1n7r h ALA 467 N 8.24 2.62 -0.11 2.13 0.00 -1.89 -2.35 119.26 127.90 1n7r h ALA 467 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n7r h ALA 467 Cb 1.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n7r h ALA 467 CO 0.60 -0.94 0.00 0.27 0.00 0.00 0.00 179.25 179.19 1n7r n ASN 468 N -4.39 1.18 -2.50 0.00 2.04 -1.26 -4.22 115.26 106.12 1n7r n ASN 468 Ca 0.22 -1.61 -0.02 0.00 -0.44 0.00 0.00 54.58 52.73 1n7r n ASN 468 Cb 0.94 -0.07 0.05 0.00 -2.53 0.00 0.00 39.78 38.17 1n7r n ASN 468 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1n7r n SER 469 N -0.01 1.90 -4.47 0.53 7.64 -0.88 -4.90 113.62 113.43 1n7r n SER 469 Ca 0.16 -2.27 -0.29 0.00 1.01 0.00 0.00 58.87 57.48 1n7r n SER 469 Cb 0.26 -0.44 0.24 0.00 -1.01 0.00 0.00 64.21 63.26 1n7r n SER 469 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1n7r n GLU 470 N -0.47 -2.20 -0.24 1.43 1.02 -1.25 -4.44 120.64 114.49 1n7r n GLU 470 Ca 0.12 -0.61 0.14 0.00 -0.02 0.00 0.00 57.16 56.79 1n7r n GLU 470 Cb 0.87 -2.14 0.43 0.00 -0.02 0.00 0.00 31.44 30.58 1n7r n GLU 470 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1n7r h GLY 471 N -2.56 1.04 1.89 0.62 0.00 -1.84 -1.35 103.07 100.88 1n7r h GLY 471 Ca -0.59 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.28 1n7r h GLY 471 CO 0.47 0.06 -0.97 0.45 0.00 0.00 0.00 176.54 176.55 1n7r h HIS 472 N 0.57 0.14 -0.02 5.60 3.86 -1.88 -1.96 115.15 121.45 1n7r h HIS 472 Ca 0.44 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 1n7r h HIS 472 Cb 0.85 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1n7r h HIS 472 CO -0.00 0.99 -0.02 0.28 0.86 0.00 0.00 177.93 180.05 1n7r h VAL 473 N 0.04 1.36 -0.64 2.45 2.07 -1.59 -3.14 116.25 116.79 1n7r h VAL 473 Ca -0.04 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 1n7r h VAL 473 Cb 1.66 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1n7r h VAL 473 CO 0.14 0.29 0.39 0.00 0.02 0.00 0.00 177.57 178.40 1n7r h ALA 474 N 0.56 1.48 -0.90 1.67 0.00 -1.31 -2.14 119.26 118.63 1n7r h ALA 474 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.01 1n7r h ALA 474 Cb 0.48 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1n7r h ALA 474 CO 0.00 0.45 0.58 0.00 0.00 0.00 0.00 179.25 180.29 1n7r h ALA 475 N 1.55 1.96 -0.28 0.00 0.00 -1.33 -2.50 119.26 118.66 1n7r h ALA 475 Ca 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n7r h ALA 475 Cb -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1n7r h ALA 475 CO -0.04 -0.23 0.04 0.28 0.00 0.00 0.00 179.25 179.30 1n7r h VAL 476 N 0.58 1.15 -0.77 0.00 2.07 -1.40 -1.06 116.25 116.83 1n7r h VAL 476 Ca 0.46 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1n7r h VAL 476 Cb 0.90 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1n7r h VAL 476 CO -0.21 0.20 0.51 -0.33 0.02 0.00 0.00 177.57 177.75 1n7r h GLU 477 N 0.40 1.00 -0.30 1.57 5.08 -1.55 0.24 114.58 121.02 1n7r h GLU 477 Ca 0.09 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 1n7r h GLU 477 Cb 0.21 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1n7r h GLU 477 CO 0.00 0.66 -0.54 0.28 -1.00 0.00 0.00 179.01 178.41 1n7r h VAL 478 N 1.03 1.27 -0.41 3.13 2.07 -1.48 -2.91 116.25 118.95 1n7r h VAL 478 Ca 0.28 -1.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 1n7r h VAL 478 Cb -0.10 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1n7r h VAL 478 CO -0.07 0.56 -0.11 -0.07 0.02 0.00 0.00 177.57 177.90 1n7r h LEU 479 N 0.69 0.72 -0.46 2.57 3.38 -0.36 -0.84 115.31 121.01 1n7r h LEU 479 Ca 0.02 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.61 1n7r h LEU 479 Cb 1.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1n7r h LEU 479 CO 0.12 0.86 -0.77 0.08 0.09 0.00 0.00 178.44 178.82 1n7r h ARG 480 N 0.66 0.02 -0.44 1.13 0.11 -1.03 0.24 114.38 115.07 1n7r h ARG 480 Ca 0.11 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.15 1n7r h ARG 480 Cb 0.58 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 1n7r h ARG 480 CO 0.04 0.78 0.15 0.78 0.10 0.00 0.00 179.97 181.82 1n7r h GLY 481 N 2.26 0.72 0.88 0.08 0.00 -1.28 -1.08 103.07 104.65 1n7r h GLY 481 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1n7r h GLY 481 CO 0.10 0.39 -0.02 -2.22 0.00 0.00 0.00 176.54 174.78 1n7r h ILE 482 N 0.57 1.27 0.00 2.60 2.04 -0.63 -1.72 117.51 121.64 1n7r h ILE 482 Ca 0.14 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1n7r h ILE 482 Cb 0.23 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1n7r h ILE 482 CO -0.01 0.32 -0.15 -0.74 0.00 0.00 0.00 178.15 177.57 1n7r h HIS 483 N 0.31 0.00 -0.07 1.37 2.76 -0.45 -2.32 115.15 116.75 1n7r h HIS 483 Ca 0.08 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 1n7r h HIS 483 Cb 0.47 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.44 1n7r h HIS 483 CO 0.04 0.15 -0.41 0.00 -1.30 0.00 0.00 177.93 176.41 1n7r h ARG 484 N 0.00 0.40 -0.61 5.26 3.08 -0.83 -3.01 114.38 118.67 1n7r h ARG 484 Ca -0.00 -0.34 0.13 0.00 0.07 0.00 0.00 59.98 59.83 1n7r h ARG 484 Cb 0.46 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 1n7r h ARG 484 CO 0.02 0.99 0.04 0.82 -1.07 0.00 0.00 179.97 180.77 1n7r h ILE 485 N -0.07 0.53 -0.59 2.04 1.08 -0.95 -2.46 117.51 117.10 1n7r h ILE 485 Ca -0.03 -0.05 0.10 0.00 -0.39 0.00 0.00 64.86 64.48 1n7r h ILE 485 Cb 1.07 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 35.11 1n7r h ILE 485 CO 0.09 0.03 0.17 0.00 -0.69 0.00 0.00 178.15 177.75 1n7r h ALA 486 N 1.54 0.73 0.00 1.87 0.00 -1.46 -1.78 119.26 120.16 1n7r h ALA 486 Ca 0.32 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1n7r h ALA 486 Cb 0.52 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1n7r h ALA 486 CO -0.49 -0.25 -0.17 0.22 0.00 0.00 0.00 179.25 178.56 1n7r h ASP 487 N 0.33 0.00 -0.24 0.00 3.58 -1.30 -0.77 116.42 118.01 1n7r h ASP 487 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1n7r h ASP 487 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1n7r h ASP 487 CO -0.34 0.17 0.00 1.15 -2.88 0.00 0.00 179.24 177.33 1n7r n MET 488 N -3.58 2.36 -1.28 0.28 0.00 -0.88 -4.90 117.12 109.12 1n7r n MET 488 Ca -0.01 -2.03 -0.10 0.00 0.00 0.00 0.00 57.70 55.56 1n7r n MET 488 Cb 0.30 -1.49 0.05 0.00 0.00 0.00 0.00 33.22 32.09 1n7r n MET 488 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1n7r n SER 489 N 1.31 0.45 -4.02 3.17 7.64 -0.29 -5.09 113.62 116.78 1n7r n SER 489 Ca 0.17 -1.41 -0.10 0.00 1.01 0.00 0.00 58.87 58.55 1n7r n SER 489 Cb 0.57 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 1n7r n SER 489 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1n7r s GLU 490 N -3.61 1.14 3.34 1.43 1.03 -1.26 -4.78 118.70 115.99 1n7r s GLU 490 Ca 0.27 -1.27 0.00 0.00 0.03 0.00 0.00 54.97 54.01 1n7r s GLU 490 Cb -0.01 0.35 0.00 0.00 -0.80 0.00 0.00 34.13 33.66 1n7r s GLU 490 CO 0.18 -0.40 0.00 0.41 -1.33 0.00 0.00 175.26 174.12 1n7r n GLY 491 N -0.20 2.88 0.28 -3.83 0.00 -1.26 -2.44 105.19 100.62 1n7r n GLY 491 Ca -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1n7r n GLY 491 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n7r h GLU 492 N 0.00 0.80 -0.26 1.61 4.81 -2.00 -3.00 114.58 116.54 1n7r h GLU 492 Ca 0.00 -0.26 -0.19 0.00 -0.13 0.00 0.00 59.36 58.78 1n7r h GLU 492 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1n7r h GLU 492 CO 0.00 0.87 -0.59 0.00 -0.73 0.00 0.00 179.01 178.56 1n7r h THR 493 N 0.72 1.28 -0.70 0.32 1.03 -1.94 -1.57 112.91 112.05 1n7r h THR 493 Ca 0.12 -1.78 0.12 0.00 -0.01 0.00 0.00 66.41 64.86 1n7r h THR 493 Cb 0.58 1.70 -0.08 0.00 -1.07 0.00 0.00 68.15 69.27 1n7r h THR 493 CO 0.04 0.58 0.28 0.50 -0.01 0.00 0.00 175.52 176.90 1n7r h LYS 494 N 0.63 0.43 -0.12 0.00 3.64 -1.49 -2.37 116.57 117.30 1n7r h LYS 494 Ca 0.00 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1n7r h LYS 494 Cb 1.20 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1n7r h LYS 494 CO 0.13 0.29 -0.79 0.37 -2.27 0.00 0.00 179.45 177.17 1n7r h GLN 495 N 0.44 0.75 -0.60 1.90 -0.00 -1.27 -1.24 115.11 115.09 1n7r h GLN 495 Ca 0.37 -0.65 -0.04 0.00 -0.00 0.00 0.00 58.65 58.33 1n7r h GLN 495 Cb 0.51 0.14 -0.03 0.00 0.00 0.00 0.00 27.48 28.11 1n7r h GLN 495 CO -0.36 1.25 0.21 -0.09 0.00 0.00 0.00 178.83 179.84 1n7r h ARG 496 N 0.46 0.89 0.19 1.69 2.43 -1.17 -0.69 114.38 118.19 1n7r h ARG 496 Ca -0.06 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 58.64 1n7r h ARG 496 Cb 1.43 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 30.86 1n7r h ARG 496 CO 0.16 0.75 -1.36 -0.07 -1.51 0.00 0.00 179.97 177.94 1n7r h LEU 497 N 0.87 0.69 -0.55 3.80 3.38 -1.30 -1.80 115.31 120.41 1n7r h LEU 497 Ca 0.20 -0.72 0.11 0.00 0.09 0.00 0.00 57.88 57.56 1n7r h LEU 497 Cb 0.21 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.66 1n7r h LEU 497 CO -0.01 1.56 0.04 1.56 0.09 0.00 0.00 178.44 181.67 1n7r h GLN 498 N 0.13 0.15 -0.66 1.13 4.20 -0.93 -2.30 115.11 116.83 1n7r h GLN 498 Ca -0.20 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1n7r h GLN 498 Cb 2.06 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.78 1n7r h GLN 498 CO 0.24 0.10 0.22 0.77 -0.67 0.00 0.00 178.83 179.49 1n7r h SER 499 N 0.16 0.94 0.21 1.46 0.02 -1.03 -0.66 113.55 114.64 1n7r h SER 499 Ca 0.28 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1n7r h SER 499 Cb 0.43 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1n7r h SER 499 CO -0.43 0.87 -0.28 0.25 -1.14 0.00 0.00 176.83 176.10 1n7r h LEU 500 N 0.98 -0.79 -0.25 5.07 5.85 -1.12 -1.01 115.31 124.04 1n7r h LEU 500 Ca 0.22 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1n7r h LEU 500 Cb 0.26 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1n7r h LEU 500 CO -0.01 -0.39 0.05 0.58 -0.34 0.00 0.00 178.44 178.32 1n7r h VAL 501 N -0.56 0.89 -0.56 1.05 2.07 -1.36 -2.29 116.25 115.49 1n7r h VAL 501 Ca 0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1n7r h VAL 501 Cb 0.54 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1n7r h VAL 501 CO -0.11 0.03 0.25 0.50 0.02 0.00 0.00 177.57 178.26 1n7r h LYS 502 N 0.14 0.82 -0.16 1.57 3.64 -1.04 -1.26 116.57 120.27 1n7r h LYS 502 Ca 0.11 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1n7r h LYS 502 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1n7r h LYS 502 CO -0.15 0.69 -0.38 0.00 -2.27 0.00 0.00 179.45 177.34 1n7r h THR 503 N 0.76 1.30 -0.20 1.00 1.03 -1.04 -0.98 112.91 114.78 1n7r h THR 503 Ca 0.19 -1.48 -0.07 0.00 -0.01 0.00 0.00 66.41 65.04 1n7r h THR 503 Cb 0.16 1.59 -0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1n7r h THR 503 CO -0.02 0.45 -0.15 0.40 -0.01 0.00 0.00 175.52 176.19 1n7r h ILE 504 N 0.30 1.32 -0.60 0.00 2.04 -1.10 -1.56 117.51 117.92 1n7r h ILE 504 Ca 0.03 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 1n7r h ILE 504 Cb 0.80 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1n7r h ILE 504 CO 0.06 0.39 0.20 0.58 0.00 0.00 0.00 178.15 179.38 1n7r h VAL 505 N 0.15 1.24 -0.18 1.67 2.07 -1.08 -2.94 116.25 117.17 1n7r h VAL 505 Ca 0.04 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1n7r h VAL 505 Cb 0.68 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1n7r h VAL 505 CO 0.04 0.31 -0.47 1.56 0.02 0.00 0.00 177.57 179.03 1n7r h GLN 506 N 0.85 0.47 0.00 1.57 4.20 -1.14 -2.64 115.11 118.43 1n7r h GLN 506 Ca 0.20 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1n7r h GLN 506 Cb 0.27 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1n7r h GLN 506 CO -0.01 0.84 0.05 0.66 -0.67 0.00 0.00 178.83 179.70 1n7r h SER 507 N 0.38 0.00 -3.04 1.46 4.64 -1.09 -3.40 113.55 112.50 1n7r h SER 507 Ca 0.02 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.62 1n7r h SER 507 Cb 0.96 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.84 1n7r h SER 507 CO 0.08 0.00 0.19 -0.62 -0.87 0.00 0.00 176.83 175.62 1n7r s ASP 508 N -4.66 6.38 0.00 4.97 -1.08 -1.00 -4.84 116.67 116.44 1n7r s ASP 508 Ca -0.04 -1.84 0.30 0.00 -0.52 0.00 0.00 52.55 50.46 1n7r s ASP 508 Cb 0.10 -2.29 1.49 0.00 -1.46 0.00 0.00 42.92 40.76 1n7r s ASP 508 CO 0.32 -0.97 2.04 -1.54 0.52 0.00 0.00 175.17 175.54 1n7r n SER 509 N 5.75 0.04 -0.13 -0.34 3.41 -1.26 -4.31 113.62 116.77 1n7r n SER 509 Ca 0.00 -0.15 -0.27 0.00 -0.26 0.00 0.00 58.87 58.19 1n7r n SER 509 Cb 0.44 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 1n7r n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n7r n TYR 510 N -1.27 0.00 -4.84 7.33 9.36 -1.26 -4.99 117.16 121.49 1n7r n TYR 510 Ca 0.14 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.04 1n7r n TYR 510 Cb 0.25 -0.97 -0.13 0.00 -0.63 0.00 0.00 39.34 37.86 1n7r n TYR 510 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1n7r s TYR 511 N -2.50 2.68 -0.41 2.98 5.04 -1.26 -5.07 117.35 118.81 1n7r s TYR 511 Ca -0.37 -0.17 -0.21 0.00 -2.44 0.00 0.00 57.07 53.87 1n7r s TYR 511 Cb 0.14 -1.60 0.02 0.00 0.35 0.00 0.00 41.96 40.87 1n7r s TYR 511 CO 0.49 0.20 0.67 0.34 -1.34 0.00 0.00 175.55 175.92 1n7r s ASP 512 N -0.90 6.39 0.41 4.32 2.15 -1.26 -4.93 116.67 122.85 1n7r s ASP 512 Ca 0.12 -0.09 0.21 0.00 0.43 0.00 0.00 52.55 53.23 1n7r s ASP 512 Cb -0.11 -2.34 1.19 0.00 -0.30 0.00 0.00 42.92 41.37 1n7r s ASP 512 CO 0.02 -0.73 1.73 1.62 -0.17 0.00 0.00 175.17 177.63 1n7r h VAL 513 N 5.82 0.41 0.00 1.11 3.04 -1.94 -1.69 116.25 122.99 1n7r h VAL 513 Ca -0.26 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1n7r h VAL 513 Cb 1.10 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1n7r h VAL 513 CO 0.88 0.06 0.00 -0.26 -1.01 0.00 0.00 177.57 177.24 1n7r h PHE 514 N 0.31 0.00 0.00 3.17 0.04 -1.93 -2.28 116.94 116.25 1n7r h PHE 514 Ca 0.66 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.42 1n7r h PHE 514 Cb 1.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.94 1n7r h PHE 514 CO -0.00 0.00 -0.00 0.87 -0.60 0.00 0.00 178.31 178.57 1n7r h LYS 515 N 0.00 0.00 0.00 1.51 1.57 -1.73 -2.81 116.57 115.12 1n7r h LYS 515 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n7r h LYS 515 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1n7r h LYS 515 CO 0.00 0.00 -0.17 -1.71 -0.57 0.00 0.00 179.45 177.00 1n7r n ASN 516 N -3.10 2.07 -4.51 0.86 5.15 -0.87 -4.95 115.26 109.91 1n7r n ASN 516 Ca -0.01 -3.27 -0.40 0.00 -0.60 0.00 0.00 54.58 50.29 1n7r n ASN 516 Cb 0.17 -0.45 -0.11 0.00 -0.53 0.00 0.00 39.78 38.87 1n7r n ASN 516 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1n7r s LEU 517 N -2.85 4.43 -0.08 1.20 1.43 -1.06 -4.82 118.68 116.94 1n7r s LEU 517 Ca 0.33 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1n7r s LEU 517 Cb 0.30 -2.11 0.22 0.00 0.03 0.00 0.00 46.19 44.63 1n7r s LEU 517 CO -0.00 -0.23 1.14 0.29 0.23 0.00 0.00 176.35 177.79 1n7r n LYS 518 N 5.08 2.27 -4.17 1.70 4.76 -1.26 -4.88 118.16 121.65 1n7r n LYS 518 Ca -0.13 -2.18 -0.14 0.00 -2.87 0.00 0.00 58.31 53.00 1n7r n LYS 518 Cb 0.50 -1.35 -0.11 0.00 -1.84 0.00 0.00 35.03 32.23 1n7r n LYS 518 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n7r s THR 519 N -2.01 0.88 0.40 -0.18 -4.23 -1.26 -4.92 115.64 104.32 1n7r s THR 519 Ca 0.21 -1.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1n7r s THR 519 Cb 0.17 -1.39 0.16 0.00 1.34 0.00 0.00 72.50 72.78 1n7r s THR 519 CO 0.04 -0.62 1.93 1.88 -0.54 0.00 0.00 174.62 177.31 1n7r h TYR 520 N 3.47 0.13 -0.17 3.99 0.05 -1.72 -2.82 116.97 119.91 1n7r h TYR 520 Ca -0.37 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.31 1n7r h TYR 520 Cb 1.19 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 1n7r h TYR 520 CO 0.63 0.31 -0.23 -0.22 -1.05 0.00 0.00 178.16 177.59 1n7r h LYS 521 N 0.12 0.45 -0.77 4.88 3.64 -1.82 -0.56 116.57 122.52 1n7r h LYS 521 Ca 0.02 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1n7r h LYS 521 Cb 0.40 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1n7r h LYS 521 CO 0.03 0.85 0.50 -0.44 -2.27 0.00 0.00 179.45 178.12 1n7r h ASP 522 N 0.09 0.82 -0.16 4.20 3.32 -1.88 -0.41 116.42 122.39 1n7r h ASP 522 Ca 0.02 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1n7r h ASP 522 Cb 0.80 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1n7r h ASP 522 CO 0.05 0.57 -0.05 0.40 -1.72 0.00 0.00 179.24 178.50 1n7r h ILE 523 N 0.96 1.30 0.14 0.35 2.04 -1.33 -2.07 117.51 118.89 1n7r h ILE 523 Ca 0.30 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1n7r h ILE 523 Cb 0.01 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1n7r h ILE 523 CO -0.08 0.31 -0.25 -1.28 0.00 0.00 0.00 178.15 176.85 1n7r h SER 524 N 0.01 -0.69 -0.92 1.72 0.87 -0.86 0.29 113.55 113.98 1n7r h SER 524 Ca 0.04 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.82 1n7r h SER 524 Cb 0.49 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.62 1n7r h SER 524 CO 0.02 -0.34 0.53 -0.07 -0.53 0.00 0.00 176.83 176.44 1n7r h LEU 525 N -0.46 0.70 -0.15 2.23 3.38 -1.09 -2.35 115.31 117.55 1n7r h LEU 525 Ca 0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1n7r h LEU 525 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1n7r h LEU 525 CO -0.12 0.31 -0.28 -0.03 0.09 0.00 0.00 178.44 178.40 1n7r h MET 526 N 0.76 0.46 -0.89 1.13 4.05 -0.89 -2.83 114.93 116.73 1n7r h MET 526 Ca 0.50 -0.29 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 1n7r h MET 526 Cb 0.66 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.44 1n7r h MET 526 CO -0.34 0.89 0.57 1.96 0.23 0.00 0.00 176.91 180.23 1n7r h GLN 527 N 0.08 1.07 -0.03 0.39 4.20 -0.71 -1.59 115.11 118.53 1n7r h GLN 527 Ca 0.01 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1n7r h GLN 527 Cb 0.87 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1n7r h GLN 527 CO 0.06 0.71 -0.62 1.03 -0.67 0.00 0.00 178.83 179.34 1n7r h SER 528 N 1.10 0.12 -0.11 1.46 0.87 -1.47 -2.50 113.55 113.03 1n7r h SER 528 Ca 0.36 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1n7r h SER 528 Cb 0.03 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1n7r h SER 528 CO -0.13 0.71 -0.25 0.25 -0.53 0.00 0.00 176.83 176.89 1n7r h LEU 529 N 0.08 0.40 -1.52 2.23 7.12 -1.21 -2.17 115.31 120.24 1n7r h LEU 529 Ca -0.01 -0.58 -0.04 0.00 0.13 0.00 0.00 57.88 57.39 1n7r h LEU 529 Cb 1.11 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 1n7r h LEU 529 CO 0.09 0.91 -0.06 -0.07 -0.13 0.00 0.00 178.44 179.17 1n7r h LEU 530 N -0.09 0.21 -1.12 2.25 3.38 -1.32 -3.24 115.31 115.38 1n7r h LEU 530 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1n7r h LEU 530 Cb 0.85 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1n7r h LEU 530 CO 0.05 0.31 -0.16 -1.54 0.09 0.00 0.00 178.44 177.19 1n7r n SER 531 N -4.34 1.75 -4.61 -0.43 3.41 -0.94 -4.90 113.62 103.56 1n7r n SER 531 Ca -0.01 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 56.80 1n7r n SER 531 Cb 0.22 0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1n7r n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n7r s ASP 532 N -1.47 6.55 0.34 4.04 -1.08 -0.82 -4.93 116.67 119.31 1n7r s ASP 532 Ca 0.13 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.14 1n7r s ASP 532 Cb 0.11 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.91 1n7r s ASP 532 CO 0.27 -1.28 1.77 0.00 0.52 0.00 0.00 175.17 176.45 1n7r h ALA 533 N 9.70 1.00 0.00 3.66 0.00 -1.90 -2.41 119.26 129.31 1n7r h ALA 533 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n7r h ALA 533 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1n7r h ALA 533 CO 1.10 0.00 0.04 0.78 0.00 0.00 0.00 179.25 181.17 1n7r h GLY 534 N 3.26 0.00 -7.60 0.00 0.00 -1.96 -3.42 103.07 93.36 1n7r h GLY 534 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 1n7r h GLY 534 CO 0.00 0.00 -0.55 0.14 0.00 0.00 0.00 176.54 176.13 1n7r s VAL 535 N -3.92 4.79 0.30 4.60 1.01 -0.91 -5.05 120.40 121.22 1n7r s VAL 535 Ca -0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1n7r s VAL 535 Cb 0.10 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1n7r s VAL 535 CO 0.32 0.14 1.06 0.00 0.00 0.00 0.00 175.10 176.62 1n7r s ALA 536 N 1.66 3.34 -0.47 5.51 0.00 -1.26 -4.95 121.76 125.58 1n7r s ALA 536 Ca 0.06 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1n7r s ALA 536 Cb -0.17 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1n7r s ALA 536 CO 0.07 -0.11 0.23 0.45 0.00 0.00 0.00 175.76 176.41 1n7r s SER 537 N -1.06 4.09 -0.06 0.00 0.15 -1.26 -4.36 113.70 111.20 1n7r s SER 537 Ca 0.46 -2.79 0.04 0.00 0.70 0.00 0.00 55.95 54.37 1n7r s SER 537 Cb -0.29 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 1n7r s SER 537 CO 0.37 -0.26 -0.16 -0.69 1.20 0.00 0.00 173.24 173.70 1n7r s VAL 538 N 0.06 2.86 0.19 4.45 1.01 -1.26 -4.97 120.40 122.74 1n7r s VAL 538 Ca 0.17 -0.79 -0.32 0.00 0.00 0.00 0.00 61.98 61.03 1n7r s VAL 538 Cb -0.25 -2.11 -0.15 0.00 0.00 0.00 0.00 36.38 33.87 1n7r s VAL 538 CO -0.01 0.58 1.26 -2.65 0.00 0.00 0.00 175.10 174.28 1n7r n PRO 539 N 2.54 1.47 -1.73 2.72 -0.02 -1.26 -4.86 135.00 133.87 1n7r n PRO 539 Ca -0.17 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 1n7r n PRO 539 Cb 0.52 -2.08 0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1n7r n PRO 539 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n7r n ARG 540 N 1.91 1.91 -2.25 -0.52 1.74 -1.26 -5.02 116.66 113.17 1n7r n ARG 540 Ca 0.14 0.69 -0.28 0.00 -0.77 0.00 0.00 57.85 57.63 1n7r n ARG 540 Cb 0.27 -2.50 0.02 0.00 -1.02 0.00 0.00 32.46 29.23 1n7r n ARG 540 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1n7r s THR 541 N -1.24 4.06 0.53 0.55 -1.32 -1.26 -4.68 115.64 112.28 1n7r s THR 541 Ca 0.65 0.29 -0.22 0.00 -1.21 0.00 0.00 61.69 61.20 1n7r s THR 541 Cb -0.46 -3.61 -0.05 0.00 -1.51 0.00 0.00 72.50 66.86 1n7r s THR 541 CO 0.55 -0.69 1.30 -0.44 -2.21 0.00 0.00 174.62 173.12 1n7r s SER 542 N -4.25 5.50 0.16 8.08 0.01 -1.26 -4.75 113.70 117.19 1n7r s SER 542 Ca 0.54 2.62 -0.23 0.00 1.31 0.00 0.00 55.95 60.19 1n7r s SER 542 Cb -0.11 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.57 1n7r s SER 542 CO 0.48 -1.40 0.59 -0.72 0.41 0.00 0.00 173.24 172.60 1n7r s TYR 543 N -1.38 -0.53 -0.23 2.43 -0.85 -0.60 -4.95 117.35 111.24 1n7r s TYR 543 Ca 0.70 0.31 -0.03 0.00 -0.52 0.00 0.00 57.07 57.53 1n7r s TYR 543 Cb -0.37 0.55 0.11 0.00 0.38 0.00 0.00 41.96 42.63 1n7r s TYR 543 CO 0.44 -0.85 0.27 -1.17 -1.52 0.00 0.00 175.55 172.72 1n7r s LEU 544 N -2.75 -0.26 -0.25 -3.49 0.20 -1.22 -0.48 118.68 110.42 1n7r s LEU 544 Ca 0.01 -0.21 -0.09 0.00 0.69 0.00 0.00 54.13 54.53 1n7r s LEU 544 Cb -0.01 0.59 -0.04 0.00 -0.43 0.00 0.00 46.19 46.30 1n7r s LEU 544 CO -0.13 -0.33 0.12 -0.44 -0.29 0.00 0.00 176.35 175.28 1n7r s SER 545 N 2.39 5.54 -0.83 3.68 0.01 -0.17 -4.86 113.70 119.45 1n7r s SER 545 Ca 0.09 -0.10 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 1n7r s SER 545 Cb -0.15 -2.01 0.16 0.00 0.21 0.00 0.00 66.02 64.23 1n7r s SER 545 CO -0.17 -0.02 0.93 0.00 0.41 0.00 0.00 173.24 174.39 1n7r s ALA 546 N 1.55 3.62 -1.52 1.44 0.00 -1.26 -1.59 121.76 124.00 1n7r s ALA 546 Ca 0.06 -2.85 -0.11 0.00 0.00 0.00 0.00 51.96 49.06 1n7r s ALA 546 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.18 1n7r s ALA 546 CO 0.06 -2.63 2.60 1.19 0.00 0.00 0.00 175.76 176.98 1n7r n PHE 547 N 5.64 2.85 -0.27 0.00 3.72 0.15 -4.77 117.46 124.79 1n7r n PHE 547 Ca 0.14 -3.01 0.16 0.00 -0.05 0.00 0.00 57.45 54.69 1n7r n PHE 547 Cb 0.47 -2.43 0.44 0.00 -0.94 0.00 0.00 39.48 37.02 1n7r n PHE 547 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1n7r h ASN 548 N 5.36 0.54 0.57 4.37 2.35 -1.89 -0.90 115.58 125.98 1n7r h ASN 548 Ca 0.73 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.53 1n7r h ASN 548 Cb 0.43 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1n7r h ASN 548 CO 1.79 0.23 0.00 0.29 -1.65 0.00 0.00 177.43 178.09 1n7r n LYS 549 N -4.57 0.18 -0.12 0.81 4.76 -1.26 -2.18 118.16 115.78 1n7r n LYS 549 Ca 0.19 0.46 0.03 0.00 -2.87 0.00 0.00 58.31 56.13 1n7r n LYS 549 Cb 0.61 -1.88 0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1n7r n LYS 549 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n7r n MET 550 N -2.22 1.33 -3.40 1.97 0.00 -0.89 -4.95 117.12 108.95 1n7r n MET 550 Ca 0.01 -1.57 -0.25 0.00 0.00 0.00 0.00 57.70 55.90 1n7r n MET 550 Cb 0.19 -0.97 0.03 0.00 0.00 0.00 0.00 33.22 32.46 1n7r n MET 550 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1n7r n ASP 551 N -0.61 -5.30 -4.39 3.17 8.00 -0.39 -4.66 116.55 112.36 1n7r n ASP 551 Ca 0.05 -0.46 -0.25 0.00 0.71 0.00 0.00 54.79 54.84 1n7r n ASP 551 Cb 0.51 -4.27 -0.11 0.00 -0.02 0.00 0.00 41.12 37.23 1n7r n ASP 551 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1n7r s LYS 552 N -6.09 1.43 -0.01 -1.24 -0.14 -0.99 -1.59 119.74 111.11 1n7r s LYS 552 Ca 0.46 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.60 1n7r s LYS 552 Cb -0.22 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.27 1n7r s LYS 552 CO 0.56 0.35 -0.05 0.99 -0.76 0.00 0.00 175.35 176.44 1n7r s THR 553 N -1.82 0.45 -0.08 2.17 2.01 -0.35 -0.67 115.64 117.36 1n7r s THR 553 Ca 0.19 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1n7r s THR 553 Cb -0.07 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1n7r s THR 553 CO 0.09 0.14 -0.13 0.00 -0.69 0.00 0.00 174.62 174.03 1n7r s ALA 554 N 0.03 1.34 0.03 7.40 0.00 -0.62 -1.37 121.76 128.58 1n7r s ALA 554 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1n7r s ALA 554 Cb -0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1n7r s ALA 554 CO -0.00 0.05 -0.13 1.41 0.00 0.00 0.00 175.76 177.09 1n7r s MET 555 N 0.78 0.89 -0.09 0.00 0.00 0.10 -1.00 119.30 119.98 1n7r s MET 555 Ca -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 55.69 54.83 1n7r s MET 555 Cb -0.15 -0.87 0.04 0.00 0.00 0.00 0.00 34.83 33.85 1n7r s MET 555 CO 0.02 0.22 0.21 -0.47 0.00 0.00 0.00 175.02 175.00 1n7r s TYR 556 N -0.79 -0.28 -0.31 4.11 5.04 0.36 -0.50 117.35 124.97 1n7r s TYR 556 Ca 0.01 0.70 -0.05 0.00 -2.44 0.00 0.00 57.07 55.29 1n7r s TYR 556 Cb -0.07 -0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.27 1n7r s TYR 556 CO 0.01 -0.22 0.05 1.21 -1.34 0.00 0.00 175.55 175.26 1n7r s ASN 557 N 1.29 5.05 0.32 4.32 3.04 -0.61 -1.56 114.94 126.80 1n7r s ASN 557 Ca -0.09 -1.08 0.17 0.00 0.04 0.00 0.00 52.86 51.91 1n7r s ASN 557 Cb -0.11 -1.80 0.18 0.00 -1.54 0.00 0.00 41.25 37.97 1n7r s ASN 557 CO -0.08 -0.26 1.50 0.00 -3.04 0.00 0.00 177.10 175.22 1n7r h ALA 558 N 8.14 0.75 0.57 1.71 0.00 -1.85 0.12 119.26 128.70 1n7r h ALA 558 Ca -0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1n7r h ALA 558 Cb 1.09 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n7r h ALA 558 CO 0.58 0.51 -0.28 1.49 0.00 0.00 0.00 179.25 181.55 1n7r h GLU 559 N 0.00 -0.74 0.00 0.00 4.81 -1.94 -3.25 114.58 113.45 1n7r h GLU 559 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1n7r h GLU 559 Cb 1.28 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1n7r h GLU 559 CO 0.05 -0.43 -0.56 0.87 -0.73 0.00 0.00 179.01 178.21 1n7r h LYS 560 N -1.01 0.00 -0.04 1.92 1.57 -1.96 -3.49 116.57 113.56 1n7r h LYS 560 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1n7r h LYS 560 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1n7r h LYS 560 CO 0.13 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 1n7r n GLY 561 N 1.27 0.73 3.34 3.86 0.00 0.40 -4.95 105.19 109.85 1n7r n GLY 561 Ca 0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1n7r n GLY 561 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n7r s PHE 562 N -2.04 2.01 0.28 1.61 -0.12 -1.17 -4.72 117.98 113.83 1n7r s PHE 562 Ca 0.00 -0.41 0.08 0.00 -0.05 0.00 0.00 56.93 56.55 1n7r s PHE 562 Cb 0.00 -1.07 -0.04 0.00 -0.63 0.00 0.00 43.02 41.28 1n7r s PHE 562 CO 0.00 0.30 0.16 0.20 -0.05 0.00 0.00 175.22 175.83 1n7r s GLY 563 N -2.17 1.57 -0.05 1.99 0.00 -0.13 -1.57 107.32 106.96 1n7r s GLY 563 Ca 0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.27 1n7r s GLY 563 CO 0.06 -1.56 0.10 -0.12 0.00 0.00 0.00 173.10 171.58 1n7r s PHE 564 N -2.23 -0.10 -0.06 1.90 5.36 0.34 -0.98 117.98 122.21 1n7r s PHE 564 Ca 0.34 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 1n7r s PHE 564 Cb -0.07 -0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.52 1n7r s PHE 564 CO 0.24 -0.12 -0.15 0.20 -1.46 0.00 0.00 175.22 173.93 1n7r s GLY 565 N 0.89 0.88 -0.21 13.12 0.00 -0.48 -0.72 107.32 120.81 1n7r s GLY 565 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1n7r s GLY 565 CO -0.04 -0.08 -0.06 -2.27 0.00 0.00 0.00 173.10 170.65 1n7r s LEU 566 N 0.43 2.22 -0.46 0.66 2.96 -0.47 0.14 118.68 124.16 1n7r s LEU 566 Ca -0.12 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.70 1n7r s LEU 566 Cb -0.15 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.51 1n7r s LEU 566 CO 0.04 -0.20 0.35 -0.55 -1.32 0.00 0.00 176.35 174.66 1n7r s SER 567 N 1.47 5.93 0.41 3.68 0.15 -0.64 -1.21 113.70 123.48 1n7r s SER 567 Ca -0.03 -1.45 0.01 0.00 0.70 0.00 0.00 55.95 55.18 1n7r s SER 567 Cb -0.17 -2.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1n7r s SER 567 CO -0.07 -0.62 0.09 0.18 1.20 0.00 0.00 173.24 174.02 1n7r n LEU 568 N 5.08 0.00 -3.89 3.45 4.77 -0.62 -2.55 117.00 123.23 1n7r n LEU 568 Ca -0.11 -2.44 -0.08 0.00 -0.03 0.00 0.00 56.01 53.35 1n7r n LEU 568 Cb 0.43 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1n7r n LEU 568 CO 0.44 -0.40 0.40 0.72 -1.33 0.00 0.00 177.39 177.22 1n7r s PHE 569 N -2.36 0.02 0.03 -1.77 -0.71 -1.20 -4.69 117.98 107.30 1n7r s PHE 569 Ca 0.07 -0.48 -0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1n7r s PHE 569 Cb -0.01 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1n7r s PHE 569 CO 0.04 -1.22 0.05 -1.13 -1.34 0.00 0.00 175.22 171.62 1n7r n SER 570 N -0.60 -0.14 0.32 1.98 3.41 -1.24 -4.86 113.62 112.49 1n7r n SER 570 Ca -0.04 -1.15 0.20 0.00 -0.26 0.00 0.00 58.87 57.62 1n7r n SER 570 Cb 0.60 0.25 1.10 0.00 -0.26 0.00 0.00 64.21 65.90 1n7r n SER 570 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n7r h SER 571 N 0.17 0.00 0.05 4.04 4.64 -0.86 -1.74 113.55 119.85 1n7r h SER 571 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1n7r h SER 571 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1n7r h SER 571 CO 0.03 0.00 -0.41 0.54 -0.87 0.00 0.00 176.83 176.13 1n7r n ARG 572 N -3.20 1.13 -3.77 4.77 1.74 -1.26 -4.75 116.66 111.32 1n7r n ARG 572 Ca -0.02 -0.87 -0.13 0.00 -0.77 0.00 0.00 57.85 56.05 1n7r n ARG 572 Cb 0.14 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 1n7r n ARG 572 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1n7r s THR 573 N -2.47 0.06 0.11 0.55 -4.23 -1.12 -4.87 115.64 103.67 1n7r s THR 573 Ca 0.20 -0.51 -0.22 0.00 -1.18 0.00 0.00 61.69 59.99 1n7r s THR 573 Cb 0.18 -0.62 -0.07 0.00 1.34 0.00 0.00 72.50 73.33 1n7r s THR 573 CO 0.55 -0.28 0.64 -0.22 -0.54 0.00 0.00 174.62 174.78 1n7r s LEU 574 N -1.39 4.55 0.03 4.79 2.96 -0.61 -3.69 118.68 125.33 1n7r s LEU 574 Ca -0.13 1.40 -0.28 0.00 -0.22 0.00 0.00 54.13 54.91 1n7r s LEU 574 Cb -0.05 -3.04 -0.17 0.00 0.50 0.00 0.00 46.19 43.43 1n7r s LEU 574 CO 0.03 0.25 1.38 -0.55 -1.32 0.00 0.00 176.35 176.15 1n7r h ASN 575 N 4.46 -0.51 -5.04 3.68 7.08 -1.63 -3.44 115.58 120.17 1n7r h ASN 575 Ca -0.49 -0.07 -0.13 0.00 -3.08 0.00 0.00 56.30 52.53 1n7r h ASN 575 Cb 1.21 0.13 -0.19 0.00 -2.08 0.00 0.00 38.32 37.40 1n7r h ASN 575 CO 0.64 -0.22 -0.47 -0.72 -2.08 0.00 0.00 177.43 174.59 1n7r s TYR 576 N -5.23 0.09 -0.36 4.14 1.13 -1.26 -4.29 117.35 111.58 1n7r s TYR 576 Ca -0.15 -0.29 -0.05 0.00 -1.41 0.00 0.00 57.07 55.16 1n7r s TYR 576 Cb 0.03 -0.07 0.06 0.00 -1.10 0.00 0.00 41.96 40.88 1n7r s TYR 576 CO 0.56 -0.36 0.13 -2.00 -2.51 0.00 0.00 175.55 171.37 1n7r s GLU 577 N -2.15 2.49 -0.38 -3.49 2.12 -1.26 -3.96 118.70 112.06 1n7r s GLU 577 Ca -0.09 -1.35 -0.08 0.00 0.36 0.00 0.00 54.97 53.82 1n7r s GLU 577 Cb -0.03 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.93 1n7r s GLU 577 CO -0.02 -0.77 0.19 -1.58 -0.54 0.00 0.00 175.26 172.54 1n7r s HIS 578 N 1.34 3.30 -0.02 5.30 5.65 -1.26 -4.09 115.29 125.51 1n7r s HIS 578 Ca 0.00 -1.44 -0.22 0.00 0.25 0.00 0.00 55.06 53.65 1n7r s HIS 578 Cb -0.21 -2.64 0.04 0.00 -1.18 0.00 0.00 32.58 28.59 1n7r s HIS 578 CO 0.01 -0.78 0.47 1.41 -0.65 0.00 0.00 174.74 175.20 1n7r s MET 579 N 1.42 0.87 -1.61 2.88 0.00 -1.13 -4.83 119.30 116.90 1n7r s MET 579 Ca 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 55.69 55.47 1n7r s MET 579 Cb -0.21 0.40 0.15 0.00 0.00 0.00 0.00 34.83 35.17 1n7r s MET 579 CO 0.03 -0.27 0.70 0.09 0.00 0.00 0.00 175.02 175.57 1n7r n ASN 580 N 0.98 -3.15 -1.03 1.11 3.02 -1.26 -0.68 115.26 114.24 1n7r n ASN 580 Ca -0.20 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.32 1n7r n ASN 580 Cb 0.57 -2.60 -0.06 0.00 -0.61 0.00 0.00 39.78 37.08 1n7r n ASN 580 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n7r n LYS 581 N -4.18 -1.40 -4.07 3.52 5.02 -1.26 -4.88 118.16 110.91 1n7r n LYS 581 Ca 0.07 0.96 -0.32 0.00 -2.02 0.00 0.00 58.31 57.00 1n7r n LYS 581 Cb 0.49 -5.25 -0.07 0.00 -0.02 0.00 0.00 35.03 30.19 1n7r n LYS 581 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n7r s GLU 582 N -3.08 3.00 -0.65 1.97 2.02 0.14 -2.23 118.70 119.87 1n7r s GLU 582 Ca 0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 1n7r s GLU 582 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 1n7r s GLU 582 CO 0.00 0.60 0.57 -1.71 0.02 0.00 0.00 175.26 174.74 1n7r n ASN 583 N 0.77 -4.53 0.22 -0.19 5.15 -0.02 -2.85 115.26 113.81 1n7r n ASN 583 Ca -0.10 -0.43 0.11 0.00 -0.60 0.00 0.00 54.58 53.56 1n7r n ASN 583 Cb 0.52 -3.37 0.21 0.00 -0.53 0.00 0.00 39.78 36.61 1n7r n ASN 583 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n7r h LYS 584 N -0.71 0.00 -0.57 1.20 1.57 -1.51 -3.26 116.57 113.28 1n7r h LYS 584 Ca -0.37 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.00 1n7r h LYS 584 Cb 1.19 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.14 1n7r h LYS 584 CO 0.27 0.08 -0.83 0.54 -0.57 0.00 0.00 179.45 178.94 1n7r n ARG 585 N -3.13 2.93 -0.16 3.15 1.74 -1.26 -4.46 116.66 115.48 1n7r n ARG 585 Ca 0.03 -3.88 0.04 0.00 -0.77 0.00 0.00 57.85 53.27 1n7r n ARG 585 Cb 0.53 -2.01 0.11 0.00 -1.02 0.00 0.00 32.46 30.07 1n7r n ARG 585 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n7r n GLY 586 N -0.71 0.49 0.30 -0.13 0.00 -1.23 -4.68 105.19 99.23 1n7r n GLY 586 Ca 0.34 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1n7r n GLY 586 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n7r n TRP 587 N 0.20 0.43 -0.23 1.61 8.01 -1.26 -1.14 117.44 125.05 1n7r n TRP 587 Ca 0.08 1.03 0.05 0.00 -1.31 0.00 0.00 57.50 57.36 1n7r n TRP 587 Cb 0.27 -1.07 0.14 0.00 -2.01 0.00 0.00 31.31 28.64 1n7r n TRP 587 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1n7r n TYR 588 N -5.31 0.43 0.24 -5.99 4.01 -1.26 -4.63 117.16 104.65 1n7r n TYR 588 Ca 0.17 -0.54 0.11 0.00 -0.16 0.00 0.00 57.90 57.48 1n7r n TYR 588 Cb 0.54 -0.06 0.53 0.00 -0.31 0.00 0.00 39.34 40.05 1n7r n TYR 588 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1n7r n THR 589 N 0.25 1.00 -1.01 -0.72 -2.24 -0.30 -2.34 114.28 108.93 1n7r n THR 589 Ca 0.11 0.55 0.05 0.00 -2.27 0.00 0.00 64.05 62.49 1n7r n THR 589 Cb 0.44 -1.52 0.08 0.00 -2.10 0.00 0.00 70.33 67.22 1n7r n THR 589 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n7r n SER 590 N -2.22 1.69 -2.25 3.42 7.64 -1.26 -4.47 113.62 116.17 1n7r n SER 590 Ca -0.00 -2.52 -0.21 0.00 1.01 0.00 0.00 58.87 57.15 1n7r n SER 590 Cb 0.10 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 1n7r n SER 590 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1n7r n ASP 591 N -0.88 6.24 -0.85 6.43 9.92 -0.99 -3.27 116.55 133.15 1n7r n ASP 591 Ca 0.09 -3.04 -0.06 0.00 -0.53 0.00 0.00 54.79 51.25 1n7r n ASP 591 Cb 0.56 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1n7r n ASP 591 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n7r n GLY 592 N 1.03 0.23 3.74 0.44 0.00 -1.12 -4.40 105.19 105.10 1n7r n GLY 592 Ca 0.42 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1n7r n GLY 592 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n7r s MET 593 N -4.57 4.48 0.13 1.61 0.00 -1.06 -3.87 119.30 116.03 1n7r s MET 593 Ca 0.04 1.91 0.05 0.00 0.00 0.00 0.00 55.69 57.69 1n7r s MET 593 Cb -0.02 -3.22 -0.04 0.00 0.00 0.00 0.00 34.83 31.55 1n7r s MET 593 CO 0.05 -0.09 0.05 -0.59 0.00 0.00 0.00 175.02 174.44 1n7r s PHE 594 N -0.15 3.04 0.05 4.11 -0.71 -0.43 -1.63 117.98 122.26 1n7r s PHE 594 Ca 0.53 -0.03 0.08 0.00 -1.04 0.00 0.00 56.93 56.47 1n7r s PHE 594 Cb -0.33 -1.51 -0.03 0.00 -1.21 0.00 0.00 43.02 39.93 1n7r s PHE 594 CO 0.38 0.51 -0.21 0.71 -1.34 0.00 0.00 175.22 175.26 1n7r s TYR 595 N -1.54 2.48 -0.13 3.49 1.51 0.12 -4.74 117.35 118.53 1n7r s TYR 595 Ca 0.28 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1n7r s TYR 595 Cb -0.11 -1.43 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1n7r s TYR 595 CO 0.20 0.22 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.68 1n7r s LEU 596 N -1.40 1.08 -0.45 -1.29 2.96 -1.26 -1.38 118.68 116.94 1n7r s LEU 596 Ca 0.14 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 1n7r s LEU 596 Cb -0.10 -0.65 0.07 0.00 0.50 0.00 0.00 46.19 46.01 1n7r s LEU 596 CO 0.04 -0.21 0.34 -0.31 -1.32 0.00 0.00 176.35 174.89 1n7r s TYR 597 N 1.82 3.28 0.00 5.38 2.02 -0.15 -4.97 117.35 124.72 1n7r s TYR 597 Ca 0.02 -1.13 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1n7r s TYR 597 Cb -0.14 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.36 1n7r s TYR 597 CO -0.07 -0.81 0.00 0.27 -1.57 0.00 0.00 175.55 173.38 1n7r n ASN 598 N 5.10 1.34 0.00 2.29 0.23 -1.26 -0.96 115.26 122.00 1n7r n ASN 598 Ca -0.12 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.00 1n7r n ASN 598 Cb 0.44 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.44 1n7r n ASN 598 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n7r n GLY 599 N 4.25 -0.99 3.44 4.83 0.00 0.72 -3.93 105.19 113.51 1n7r n GLY 599 Ca 0.00 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1n7r n GLY 599 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n7r s ASP 600 N -2.99 6.67 0.42 1.61 2.15 -1.26 -4.89 116.67 118.39 1n7r s ASP 600 Ca 0.07 -2.17 0.19 0.00 0.43 0.00 0.00 52.55 51.07 1n7r s ASP 600 Cb 0.09 -2.38 0.95 0.00 -0.30 0.00 0.00 42.92 41.29 1n7r s ASP 600 CO 0.26 -1.00 1.89 -0.07 -0.17 0.00 0.00 175.17 176.08 1n7r h LEU 601 N 10.11 0.00 0.00 -1.34 4.07 -1.98 -2.60 115.31 123.57 1n7r h LEU 601 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1n7r h LEU 601 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1n7r h LEU 601 CO 1.08 0.28 0.00 -1.54 -1.08 0.00 0.00 178.44 177.18 1n7r n SER 602 N -3.82 0.00 -0.06 -0.43 3.41 -1.26 -4.50 113.62 106.96 1n7r n SER 602 Ca -0.01 -0.55 -0.08 0.00 -0.26 0.00 0.00 58.87 57.97 1n7r n SER 602 Cb 0.37 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1n7r n SER 602 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1n7r h HIS 603 N 0.00 0.09 -0.33 7.33 6.17 -1.84 0.73 115.15 127.30 1n7r h HIS 603 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1n7r h HIS 603 Cb 0.05 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1n7r h HIS 603 CO 0.00 0.03 0.00 0.66 0.71 0.00 0.00 177.93 179.33 1n7r n TYR 604 N -5.08 0.44 -3.32 5.26 4.01 -1.26 -4.73 117.16 112.48 1n7r n TYR 604 Ca -0.01 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1n7r n TYR 604 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1n7r n TYR 604 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1n7r n SER 605 N 0.46 1.99 -4.09 7.72 7.64 0.25 -4.47 113.62 123.13 1n7r n SER 605 Ca 0.11 -0.32 -0.32 0.00 1.01 0.00 0.00 58.87 59.35 1n7r n SER 605 Cb 0.28 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 1n7r n SER 605 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1n7r n ASP 606 N -0.32 -2.73 -0.99 6.43 8.00 -1.26 -2.23 116.55 123.46 1n7r n ASP 606 Ca 0.00 -0.97 -0.07 0.00 0.71 0.00 0.00 54.79 54.46 1n7r n ASP 606 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 1n7r n ASP 606 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n7r n GLY 607 N -1.62 0.15 0.27 0.44 0.00 -1.26 -4.95 105.19 98.22 1n7r n GLY 607 Ca -0.04 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1n7r n GLY 607 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n7r h TYR 608 N -0.20 -0.62 -0.45 1.61 3.20 -1.67 -3.18 116.97 115.65 1n7r h TYR 608 Ca -0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 1n7r h TYR 608 Cb 1.13 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1n7r h TYR 608 CO 0.19 -0.33 0.21 -1.49 -1.64 0.00 0.00 178.16 175.11 1n7r h TRP 609 N -0.38 0.66 0.00 -3.82 4.06 -1.87 0.34 115.95 114.93 1n7r h TRP 609 Ca 0.05 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1n7r h TRP 609 Cb 0.45 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1n7r h TRP 609 CO -0.26 0.54 0.00 -0.35 -3.56 0.00 0.00 178.44 174.81 1n7r n PRO 610 N -4.64 0.06 -0.04 0.49 -0.04 -1.25 -3.91 135.00 125.67 1n7r n PRO 610 Ca 0.01 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1n7r n PRO 610 Cb 0.12 -1.60 -0.08 0.00 -0.04 0.00 0.00 33.50 31.90 1n7r n PRO 610 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1n7r n THR 611 N -1.71 0.47 -1.79 0.52 -2.24 -0.72 -3.97 114.28 104.84 1n7r n THR 611 Ca 0.04 -0.37 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 1n7r n THR 611 Cb 0.25 -0.40 0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1n7r n THR 611 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n7r s VAL 612 N -2.42 2.04 -0.52 2.28 0.11 0.11 -4.55 120.40 117.45 1n7r s VAL 612 Ca -0.05 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 1n7r s VAL 612 Cb 0.04 -3.02 0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1n7r s VAL 612 CO 0.43 0.01 1.16 0.21 -3.33 0.00 0.00 175.10 173.58 1n7r s ASN 613 N -0.47 6.55 0.00 3.54 3.84 -1.26 -4.89 114.94 122.25 1n7r s ASN 613 Ca 0.61 0.31 0.23 0.00 0.21 0.00 0.00 52.86 54.21 1n7r s ASN 613 Cb -0.44 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 38.93 1n7r s ASN 613 CO 0.57 -1.35 1.76 -0.81 -2.79 0.00 0.00 177.10 174.48 1n7r n PRO 614 N 8.10 0.43 0.03 0.43 -0.04 -1.26 -1.10 135.00 141.60 1n7r n PRO 614 Ca 0.10 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 1n7r n PRO 614 Cb 0.49 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.79 1n7r n PRO 614 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n7r n TYR 615 N -1.21 0.28 -2.68 0.54 4.01 -1.26 -4.37 117.16 112.47 1n7r n TYR 615 Ca 0.13 0.08 -0.16 0.00 -0.16 0.00 0.00 57.90 57.79 1n7r n TYR 615 Cb 0.16 -0.52 0.01 0.00 -0.31 0.00 0.00 39.34 38.68 1n7r n TYR 615 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1n7r n LYS 616 N -1.77 1.90 -2.11 -0.72 5.02 -0.25 -4.96 118.16 115.26 1n7r n LYS 616 Ca 0.05 -3.72 -0.41 0.00 -2.02 0.00 0.00 58.31 52.21 1n7r n LYS 616 Cb 0.38 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1n7r n LYS 616 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1n7r s MET 617 N -3.19 4.32 0.26 1.97 -1.94 -1.25 -4.66 119.30 114.80 1n7r s MET 617 Ca 0.36 2.18 -0.31 0.00 -1.71 0.00 0.00 55.69 56.20 1n7r s MET 617 Cb 0.42 -3.16 -0.12 0.00 2.01 0.00 0.00 34.83 33.98 1n7r s MET 617 CO -0.05 -0.36 1.57 -0.35 -0.01 0.00 0.00 175.02 175.82 1n7r n PRO 618 N 2.72 2.51 0.00 2.03 -0.04 -1.26 -2.38 135.00 138.58 1n7r n PRO 618 Ca 0.07 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 1n7r n PRO 618 Cb 0.41 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1n7r n PRO 618 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n7r n GLY 619 N 2.54 2.58 3.79 0.55 0.00 0.16 -1.32 105.19 113.49 1n7r n GLY 619 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1n7r n GLY 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n7r s THR 620 N -2.32 4.40 -0.21 2.61 -4.23 -1.00 -4.74 115.64 110.15 1n7r s THR 620 Ca 0.00 1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 62.02 1n7r s THR 620 Cb 0.00 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1n7r s THR 620 CO 0.00 0.30 0.02 -0.89 -0.54 0.00 0.00 174.62 173.50 1n7r s THR 621 N -1.42 4.06 0.12 3.99 2.01 -1.26 -1.18 115.64 121.96 1n7r s THR 621 Ca 0.42 -0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 1n7r s THR 621 Cb -0.19 -2.85 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1n7r s THR 621 CO 0.24 0.41 0.36 -1.61 -0.69 0.00 0.00 174.62 173.33 1n7r s GLU 622 N 1.07 1.02 0.65 4.92 0.41 -0.58 -4.96 118.70 121.22 1n7r s GLU 622 Ca 0.03 -0.75 -0.05 0.00 -0.41 0.00 0.00 54.97 53.79 1n7r s GLU 622 Cb -0.14 0.44 0.04 0.00 -1.78 0.00 0.00 34.13 32.69 1n7r s GLU 622 CO 0.02 -0.38 0.94 0.95 -0.49 0.00 0.00 175.26 176.29 1n7r s THR 623 N -3.78 2.64 -0.49 3.63 -4.23 -1.26 -1.67 115.64 110.47 1n7r s THR 623 Ca 0.03 -0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.36 1n7r s THR 623 Cb 0.02 -3.09 0.68 0.00 1.34 0.00 0.00 72.50 71.45 1n7r s THR 623 CO -0.12 -0.09 1.54 -0.90 -0.54 0.00 0.00 174.62 174.51 1n7r n ASP 624 N -2.73 4.84 -4.52 3.99 5.75 -0.92 -4.97 116.55 118.00 1n7r n ASP 624 Ca 0.07 -2.72 -0.38 0.00 -0.01 0.00 0.00 54.79 51.75 1n7r n ASP 624 Cb 0.60 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 40.09 1n7r n ASP 624 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n7r n ALA 625 N 0.58 -0.70 -1.83 2.12 0.00 -1.26 -4.96 120.51 114.46 1n7r n ALA 625 Ca 0.23 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 1n7r n ALA 625 Cb 1.01 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1n7r n ALA 625 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1n7r s LYS 626 N -2.23 3.95 0.14 0.00 -2.85 -1.26 -5.05 119.74 112.44 1n7r s LYS 626 Ca 0.70 0.99 0.10 0.00 -1.00 0.00 0.00 55.97 56.76 1n7r s LYS 626 Cb -0.46 -2.14 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 1n7r s LYS 626 CO 0.53 -0.27 -0.23 1.03 0.10 0.00 0.00 175.35 176.51 1n7r s ARG 627 N -3.97 1.32 -0.17 1.78 1.81 -1.26 -5.13 118.95 113.33 1n7r s ARG 627 Ca 0.60 -1.35 -0.08 0.00 -1.72 0.00 0.00 55.73 53.17 1n7r s ARG 627 Cb -0.10 -1.62 -0.05 0.00 -0.45 0.00 0.00 34.95 32.74 1n7r s ARG 627 CO 0.29 0.36 0.12 0.00 -0.68 0.00 0.00 175.30 175.39 1n7r s ALA 628 N -1.45 3.68 0.49 2.13 0.00 -1.26 -5.00 121.76 120.35 1n7r s ALA 628 Ca 0.14 -0.69 0.21 0.00 0.00 0.00 0.00 51.96 51.62 1n7r s ALA 628 Cb -0.09 -2.04 1.26 0.00 0.00 0.00 0.00 23.12 22.25 1n7r s ALA 628 CO 0.07 0.31 1.98 -0.44 0.00 0.00 0.00 175.76 177.67 1n7r h ASP 629 N 6.14 0.15 0.66 0.00 3.32 -2.00 -1.53 116.42 123.17 1n7r h ASP 629 Ca -0.45 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1n7r h ASP 629 Cb 1.18 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1n7r h ASP 629 CO 0.69 0.08 0.00 -1.54 -1.72 0.00 0.00 179.24 176.75 1n7r n SER 630 N -4.42 0.00 -4.58 6.45 3.41 -1.26 -4.79 113.62 108.42 1n7r n SER 630 Ca 0.11 0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 58.82 1n7r n SER 630 Cb 0.55 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1n7r n SER 630 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1n7r n ASP 631 N -1.49 0.44 -4.72 4.04 10.43 -0.58 -5.04 116.55 119.63 1n7r n ASP 631 Ca 0.05 0.81 -0.31 0.00 2.57 0.00 0.00 54.79 57.91 1n7r n ASP 631 Cb 0.23 -1.34 -0.09 0.00 1.84 0.00 0.00 41.12 41.76 1n7r n ASP 631 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1n7r s THR 632 N -1.53 1.46 0.63 -3.53 -4.23 -1.26 -4.89 115.64 102.28 1n7r s THR 632 Ca 0.73 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.12 1n7r s THR 632 Cb -0.44 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1n7r s THR 632 CO 0.50 0.00 1.05 -0.83 -0.54 0.00 0.00 174.62 174.80 1n7r s GLY 633 N -3.83 1.95 0.11 3.99 0.00 -1.25 -5.03 107.32 103.26 1n7r s GLY 633 Ca 0.16 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.21 1n7r s GLY 633 CO 0.09 0.58 -0.15 0.54 0.00 0.00 0.00 173.10 174.15 1n7r s LYS 634 N -4.43 1.00 0.51 2.90 -0.14 -1.26 -4.97 119.74 113.35 1n7r s LYS 634 Ca 0.61 -1.19 -0.08 0.00 -1.36 0.00 0.00 55.97 53.95 1n7r s LYS 634 Cb -0.15 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 1n7r s LYS 634 CO 0.43 0.19 0.85 0.14 -0.76 0.00 0.00 175.35 176.20 1n7r s VAL 635 N -1.91 4.83 0.26 3.17 -7.23 -1.26 -1.53 120.40 116.73 1n7r s VAL 635 Ca 0.07 0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 1n7r s VAL 635 Cb -0.06 -3.84 -0.09 0.00 0.56 0.00 0.00 36.38 32.94 1n7r s VAL 635 CO 0.03 -0.87 0.98 -0.22 -0.31 0.00 0.00 175.10 174.71 1n7r s LEU 636 N -4.69 4.57 0.33 1.32 2.96 -0.67 -4.93 118.68 117.57 1n7r s LEU 636 Ca 0.50 2.02 0.02 0.00 -0.22 0.00 0.00 54.13 56.45 1n7r s LEU 636 Cb -0.10 -3.68 0.61 0.00 0.50 0.00 0.00 46.19 43.51 1n7r s LEU 636 CO 0.45 0.04 1.97 -0.65 -1.32 0.00 0.00 176.35 176.83 1n7r h PRO 637 N 3.90 0.89 -6.20 0.98 0.11 -1.91 -2.88 132.00 126.89 1n7r h PRO 637 Ca -0.46 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.02 1n7r h PRO 637 Cb 1.20 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1n7r h PRO 637 CO 0.67 0.59 -0.13 0.45 -0.21 0.00 0.00 178.00 179.37 1n7r s SER 638 N -6.26 6.84 0.00 -2.05 0.15 -1.26 -4.72 113.70 106.40 1n7r s SER 638 Ca -0.11 1.04 0.29 0.00 0.70 0.00 0.00 55.95 57.87 1n7r s SER 638 Cb 0.19 -2.27 1.18 0.00 -1.71 0.00 0.00 66.02 63.40 1n7r s SER 638 CO 0.78 0.20 1.82 0.00 1.20 0.00 0.00 173.24 177.24 1n7r n ALA 639 N 1.23 2.73 -2.91 5.45 0.00 -1.26 -1.04 120.51 124.71 1n7r n ALA 639 Ca -0.09 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1n7r n ALA 639 Cb 0.52 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1n7r n ALA 639 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n7r s PHE 640 N -2.21 3.33 -0.30 0.00 5.36 -1.26 -3.77 117.98 119.13 1n7r s PHE 640 Ca 0.35 -1.86 -0.10 0.00 -0.96 0.00 0.00 56.93 54.36 1n7r s PHE 640 Cb 0.21 -4.34 0.15 0.00 -0.34 0.00 0.00 43.02 38.70 1n7r s PHE 640 CO 0.41 -1.46 0.79 0.08 -1.46 0.00 0.00 175.22 173.58 1n7r s VAL 641 N 2.13 -0.78 -4.59 3.12 1.01 -1.26 -1.89 120.40 118.14 1n7r s VAL 641 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1n7r s VAL 641 Cb -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1n7r s VAL 641 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1n7r n GLY 642 N 5.29 -2.13 2.98 4.51 0.00 -0.86 -4.80 105.19 110.18 1n7r n GLY 642 Ca -0.09 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1n7r n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n7r s THR 643 N -2.47 0.90 -0.39 2.61 2.01 -1.26 -1.94 115.64 115.10 1n7r s THR 643 Ca 0.00 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 1n7r s THR 643 Cb 0.00 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.69 1n7r s THR 643 CO 0.00 0.30 0.25 -0.55 -0.69 0.00 0.00 174.62 173.93 1n7r s SER 644 N 0.69 5.93 -0.19 3.53 0.15 -0.31 -4.93 113.70 118.57 1n7r s SER 644 Ca -0.12 -0.89 -0.13 0.00 0.70 0.00 0.00 55.95 55.50 1n7r s SER 644 Cb -0.15 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 1n7r s SER 644 CO 0.02 -0.40 0.28 -0.75 1.20 0.00 0.00 173.24 173.60 1n7r s LYS 645 N 1.63 4.20 -0.19 5.44 2.20 -1.26 -1.79 119.74 129.97 1n7r s LYS 645 Ca 0.04 0.03 -0.22 0.00 -0.36 0.00 0.00 55.97 55.46 1n7r s LYS 645 Cb -0.19 -3.47 -0.20 0.00 -1.51 0.00 0.00 37.83 32.46 1n7r s LYS 645 CO 0.08 0.14 0.32 1.25 -0.36 0.00 0.00 175.35 176.79 1n7r h LEU 646 N 7.08 0.00 0.00 5.43 5.85 -1.33 -3.45 115.31 128.88 1n7r h LEU 646 Ca -0.39 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1n7r h LEU 646 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1n7r h LEU 646 CO 0.73 1.32 0.00 -0.90 -0.34 0.00 0.00 178.44 179.25 1n7r n ASP 647 N -4.49 0.00 -0.19 1.25 5.68 -1.20 -4.97 116.55 112.63 1n7r n ASP 647 Ca -0.25 -0.28 0.04 0.00 -0.50 0.00 0.00 54.79 53.80 1n7r n ASP 647 Cb 0.60 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.78 1n7r n ASP 647 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1n7r n ASP 648 N -0.49 0.56 0.00 -1.12 8.00 -1.26 -3.79 116.55 118.45 1n7r n ASP 648 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1n7r n ASP 648 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1n7r n ASP 648 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n7r n ALA 649 N -0.27 1.42 -3.67 2.24 0.00 -1.26 -3.40 120.51 115.58 1n7r n ALA 649 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1n7r n ALA 649 Cb 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 19.45 19.38 1n7r n ALA 649 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n7r s ASN 650 N -1.04 1.11 0.26 0.00 0.01 -1.25 0.60 114.94 114.64 1n7r s ASN 650 Ca 0.00 0.10 -0.13 0.00 -0.71 0.00 0.00 52.86 52.13 1n7r s ASN 650 Cb 0.00 -0.09 -0.00 0.00 0.41 0.00 0.00 41.25 41.57 1n7r s ASN 650 CO 0.00 -0.25 0.50 0.00 -1.51 0.00 0.00 177.10 175.84 1n7r s ALA 651 N 2.19 -0.24 0.02 0.60 0.00 -0.64 -0.90 121.76 122.78 1n7r s ALA 651 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1n7r s ALA 651 Cb -0.12 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 1n7r s ALA 651 CO -0.03 -0.87 -0.02 0.99 0.00 0.00 0.00 175.76 175.83 1n7r s THR 652 N -3.89 0.10 0.05 0.00 2.01 -0.74 -0.03 115.64 113.13 1n7r s THR 652 Ca 0.22 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1n7r s THR 652 Cb -0.01 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1n7r s THR 652 CO 0.10 -0.37 -0.03 0.00 -0.69 0.00 0.00 174.62 173.63 1n7r s ALA 653 N -1.09 0.48 0.10 7.40 0.00 0.89 -1.17 121.76 128.37 1n7r s ALA 653 Ca -0.12 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.72 1n7r s ALA 653 Cb -0.07 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1n7r s ALA 653 CO -0.01 -0.31 0.07 -0.08 0.00 0.00 0.00 175.76 175.43 1n7r s THR 654 N -3.39 0.15 -0.14 0.00 -1.32 -0.82 -0.84 115.64 109.28 1n7r s THR 654 Ca 0.03 -1.72 -0.04 0.00 -1.21 0.00 0.00 61.69 58.75 1n7r s THR 654 Cb 0.04 -1.73 0.07 0.00 -1.51 0.00 0.00 72.50 69.37 1n7r s THR 654 CO -0.08 -0.67 0.22 -0.32 -2.21 0.00 0.00 174.62 171.56 1n7r s MET 655 N -3.97 0.13 -1.08 7.08 0.00 0.15 -2.03 119.30 119.58 1n7r s MET 655 Ca 0.14 0.50 -0.19 0.00 0.00 0.00 0.00 55.69 56.14 1n7r s MET 655 Cb 0.07 -0.53 0.10 0.00 0.00 0.00 0.00 34.83 34.48 1n7r s MET 655 CO -0.04 -0.43 1.40 0.34 0.00 0.00 0.00 175.02 176.29 1n7r s ASP 656 N 2.35 6.72 -0.10 1.11 2.15 -0.79 -2.14 116.67 125.98 1n7r s ASP 656 Ca 0.04 -2.15 -0.21 0.00 0.43 0.00 0.00 52.55 50.66 1n7r s ASP 656 Cb -0.13 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1n7r s ASP 656 CO -0.09 -1.15 0.60 0.12 -0.17 0.00 0.00 175.17 174.48 1n7r s PHE 657 N 3.41 3.54 -0.06 -5.34 5.36 -0.55 -4.61 117.98 119.72 1n7r s PHE 657 Ca 0.43 1.07 0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1n7r s PHE 657 Cb -0.01 -2.69 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1n7r s PHE 657 CO -0.04 0.11 -0.11 0.99 -1.46 0.00 0.00 175.22 174.70 1n7r s THR 658 N 0.79 1.05 0.95 0.12 2.01 -1.26 -1.72 115.64 117.58 1n7r s THR 658 Ca 0.32 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.74 1n7r s THR 658 Cb -0.16 -0.97 0.17 0.00 0.01 0.00 0.00 72.50 71.55 1n7r s THR 658 CO 0.14 0.34 1.22 0.54 -0.69 0.00 0.00 174.62 176.17 1n7r s ASN 659 N 0.71 3.17 0.50 3.53 4.22 -0.64 -4.90 114.94 121.53 1n7r s ASN 659 Ca -0.14 0.57 0.28 0.00 -2.14 0.00 0.00 52.86 51.42 1n7r s ASN 659 Cb -0.16 -0.84 1.24 0.00 1.28 0.00 0.00 41.25 42.77 1n7r s ASN 659 CO 0.03 -2.73 1.96 4.11 -2.04 0.00 0.00 177.10 178.43 1n7r h TRP 660 N -1.63 0.00 -0.02 1.54 5.08 -1.99 -2.02 115.95 116.92 1n7r h TRP 660 Ca -0.46 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.51 1n7r h TRP 660 Cb 1.28 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.44 1n7r h TRP 660 CO -0.70 0.15 -0.20 0.27 -1.28 0.00 0.00 178.44 176.68 1n7r n ASN 661 N -3.42 2.14 -4.00 0.11 6.94 -1.26 -5.01 115.26 110.76 1n7r n ASN 661 Ca -0.01 -3.44 -0.30 0.00 -0.02 0.00 0.00 54.58 50.82 1n7r n ASN 661 Cb 0.33 -0.48 -0.01 0.00 -2.36 0.00 0.00 39.78 37.26 1n7r n ASN 661 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n7r n GLN 662 N -1.28 -3.98 0.00 -3.83 3.00 -0.76 -4.87 117.38 105.66 1n7r n GLN 662 Ca 0.18 0.46 0.05 0.00 -0.01 0.00 0.00 57.00 57.68 1n7r n GLN 662 Cb 0.68 -5.02 -0.05 0.00 0.00 0.00 0.00 30.24 25.85 1n7r n GLN 662 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1n7r n THR 663 N -4.45 0.00 -4.13 5.09 -2.24 -1.26 -4.97 114.28 102.31 1n7r n THR 663 Ca -0.10 -0.28 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1n7r n THR 663 Cb 0.58 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.68 1n7r n THR 663 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1n7r s LEU 664 N -2.36 1.89 0.32 3.22 0.20 -1.26 -1.09 118.68 119.61 1n7r s LEU 664 Ca 0.04 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1n7r s LEU 664 Cb 0.08 -0.27 -0.06 0.00 -0.43 0.00 0.00 46.19 45.51 1n7r s LEU 664 CO 0.39 0.04 0.07 0.42 -0.29 0.00 0.00 176.35 176.98 1n7r s THR 665 N 0.05 1.00 -0.29 3.68 -4.23 -0.64 -1.62 115.64 113.59 1n7r s THR 665 Ca -0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1n7r s THR 665 Cb -0.04 -2.71 0.17 0.00 1.34 0.00 0.00 72.50 71.25 1n7r s THR 665 CO -0.00 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.16 1n7r s ALA 666 N -3.38 -2.38 -0.74 3.99 0.00 -0.70 -2.12 121.76 116.43 1n7r s ALA 666 Ca 0.35 2.10 -0.26 0.00 0.00 0.00 0.00 51.96 54.15 1n7r s ALA 666 Cb 0.08 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1n7r s ALA 666 CO 0.15 -0.32 1.52 -1.01 0.00 0.00 0.00 175.76 176.10 1n7r s HIS 667 N 1.13 2.08 -0.20 0.00 3.76 -0.01 -1.48 115.29 120.58 1n7r s HIS 667 Ca -0.07 0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.93 1n7r s HIS 667 Cb -0.03 -4.43 -0.04 0.00 1.11 0.00 0.00 32.58 29.18 1n7r s HIS 667 CO -0.13 -2.12 0.08 0.15 -0.85 0.00 0.00 174.74 171.87 1n7r s LYS 668 N 6.15 3.98 0.03 1.40 1.02 -0.91 -1.32 119.74 130.09 1n7r s LYS 668 Ca 0.48 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1n7r s LYS 668 Cb -0.09 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1n7r s LYS 668 CO 0.13 0.21 -0.05 -1.12 -0.92 0.00 0.00 175.35 173.61 1n7r s SER 669 N 0.55 0.53 -0.02 2.83 0.01 -0.43 0.29 113.70 117.47 1n7r s SER 669 Ca 0.04 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.83 1n7r s SER 669 Cb -0.13 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1n7r s SER 669 CO 0.01 -0.23 -0.03 0.26 0.41 0.00 0.00 173.24 173.66 1n7r s TRP 670 N -1.30 0.44 -0.30 2.43 0.51 -0.02 -1.46 118.94 119.24 1n7r s TRP 670 Ca -0.12 -0.08 0.02 0.00 -2.12 0.00 0.00 56.10 53.81 1n7r s TRP 670 Cb -0.09 -0.38 0.09 0.00 -0.81 0.00 0.00 33.47 32.28 1n7r s TRP 670 CO -0.00 -0.08 0.02 -0.06 -0.51 0.00 0.00 176.95 176.32 1n7r s PHE 671 N 0.40 2.98 -0.46 -1.98 0.40 0.35 -0.08 117.98 119.59 1n7r s PHE 671 Ca -0.04 -2.39 -0.21 0.00 -0.60 0.00 0.00 56.93 53.69 1n7r s PHE 671 Cb -0.08 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1n7r s PHE 671 CO -0.01 -0.89 0.68 -1.64 0.70 0.00 0.00 175.22 174.07 1n7r s MET 672 N 1.18 3.27 -0.49 0.44 -1.94 0.95 -0.75 119.30 121.96 1n7r s MET 672 Ca 0.05 -0.43 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 1n7r s MET 672 Cb -0.19 -3.99 0.39 0.00 2.01 0.00 0.00 34.83 33.05 1n7r s MET 672 CO -0.11 -1.11 1.02 1.28 -0.01 0.00 0.00 175.02 176.09 1n7r n LEU 673 N 6.41 4.23 0.00 -0.03 4.77 -0.28 -1.63 117.00 130.47 1n7r n LEU 673 Ca -0.02 -5.31 0.00 0.00 -0.03 0.00 0.00 56.01 50.65 1n7r n LEU 673 Cb 0.47 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1n7r n LEU 673 CO 0.55 2.25 0.00 1.17 -1.33 0.00 0.00 177.39 180.03 1n7r n LYS 674 N -0.32 0.00 -0.04 3.23 4.81 0.20 -3.85 118.16 122.19 1n7r n LYS 674 Ca 0.33 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.83 1n7r n LYS 674 Cb 0.56 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.69 1n7r n LYS 674 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1n7r n ASP 675 N 3.99 2.17 -3.52 3.14 5.75 -1.26 -4.79 116.55 122.03 1n7r n ASP 675 Ca 0.00 -2.61 -0.09 0.00 -0.01 0.00 0.00 54.79 52.08 1n7r n ASP 675 Cb 0.00 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1n7r n ASP 675 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1n7r s LYS 676 N -2.04 0.77 -0.06 0.11 -2.85 -1.25 -4.38 119.74 110.04 1n7r s LYS 676 Ca 0.18 -0.16 0.03 0.00 -1.00 0.00 0.00 55.97 55.02 1n7r s LYS 676 Cb 0.16 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 1n7r s LYS 676 CO 0.02 -0.31 -0.13 0.42 0.10 0.00 0.00 175.35 175.45 1n7r s ILE 677 N -2.52 1.16 -0.13 3.79 1.09 -0.88 -1.12 121.20 122.59 1n7r s ILE 677 Ca 0.03 -0.52 -0.11 0.00 -1.10 0.00 0.00 60.65 58.94 1n7r s ILE 677 Cb -0.01 -1.04 -0.05 0.00 -1.06 0.00 0.00 42.46 40.30 1n7r s ILE 677 CO -0.05 0.35 0.23 0.00 -0.10 0.00 0.00 174.94 175.37 1n7r s ALA 678 N 0.46 3.72 -0.34 9.38 0.00 0.07 -0.44 121.76 134.60 1n7r s ALA 678 Ca -0.11 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1n7r s ALA 678 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.79 1n7r s ALA 678 CO 0.03 0.33 0.15 -0.06 0.00 0.00 0.00 175.76 176.20 1n7r s PHE 679 N -0.26 3.22 0.02 0.00 0.40 0.93 -0.50 117.98 121.79 1n7r s PHE 679 Ca 0.15 -1.03 0.07 0.00 -0.60 0.00 0.00 56.93 55.52 1n7r s PHE 679 Cb -0.13 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1n7r s PHE 679 CO 0.04 -0.63 -0.18 -0.51 0.70 0.00 0.00 175.22 174.64 1n7r s LEU 680 N 1.51 2.56 -0.14 -0.37 1.43 -0.53 -1.60 118.68 121.54 1n7r s LEU 680 Ca 0.02 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1n7r s LEU 680 Cb -0.19 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.59 1n7r s LEU 680 CO 0.05 0.28 0.32 -0.83 0.23 0.00 0.00 176.35 176.40 1n7r s GLY 681 N -1.22 -0.23 0.28 -3.19 0.00 -0.75 -1.31 107.32 100.90 1n7r s GLY 681 Ca 0.13 1.25 0.02 0.00 0.00 0.00 0.00 44.72 46.12 1n7r s GLY 681 CO 0.04 1.47 0.10 -1.35 0.00 0.00 0.00 173.10 173.36 1n7r s SER 682 N 1.35 1.40 -1.42 1.64 1.04 -0.43 -0.47 113.70 116.80 1n7r s SER 682 Ca -0.09 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1n7r s SER 682 Cb -0.10 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1n7r s SER 682 CO -0.11 -0.75 0.00 -3.20 0.98 0.00 0.00 173.24 170.17 1n7r n ASN 683 N -0.58 -4.84 -4.68 7.02 4.05 -1.15 -0.83 115.26 114.26 1n7r n ASN 683 Ca -0.00 0.02 -0.42 0.00 0.45 0.00 0.00 54.58 54.63 1n7r n ASN 683 Cb 0.66 -3.94 -0.03 0.00 1.23 0.00 0.00 39.78 37.71 1n7r n ASN 683 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1n7r s ILE 684 N -2.79 4.26 0.01 -1.44 1.01 -0.93 -4.18 121.20 117.14 1n7r s ILE 684 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1n7r s ILE 684 Cb 0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1n7r s ILE 684 CO 0.00 -0.04 -0.03 -1.10 0.00 0.00 0.00 174.94 173.77 1n7r s GLN 685 N 2.58 0.27 -0.05 2.79 -0.21 -0.90 -0.22 119.66 123.92 1n7r s GLN 685 Ca 0.55 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.64 1n7r s GLN 685 Cb -0.24 -0.16 0.03 0.00 1.00 0.00 0.00 33.01 33.64 1n7r s GLN 685 CO 0.20 0.04 0.05 1.21 -2.12 0.00 0.00 175.29 174.66 1n7r s ASN 686 N -0.51 1.25 0.00 5.90 2.47 -1.26 -1.62 114.94 121.17 1n7r s ASN 686 Ca -0.03 0.04 0.18 0.00 0.42 0.00 0.00 52.86 53.47 1n7r s ASN 686 Cb -0.04 -0.21 -0.15 0.00 -1.45 0.00 0.00 41.25 39.40 1n7r s ASN 686 CO -0.00 -0.24 0.80 0.35 -3.72 0.00 0.00 177.10 174.30 1n7r n THR 687 N 5.26 0.00 -1.09 -5.21 -2.24 -0.25 -4.94 114.28 105.81 1n7r n THR 687 Ca -0.04 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 1n7r n THR 687 Cb 0.50 1.05 0.18 0.00 -2.10 0.00 0.00 70.33 69.96 1n7r n THR 687 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n7r s SER 688 N -2.57 2.57 0.00 3.42 1.04 -1.26 -4.98 113.70 111.92 1n7r s SER 688 Ca 0.09 1.30 0.29 0.00 0.48 0.00 0.00 55.95 58.10 1n7r s SER 688 Cb 0.14 -1.98 1.18 0.00 0.10 0.00 0.00 66.02 65.45 1n7r s SER 688 CO 0.68 -3.18 1.82 0.35 0.98 0.00 0.00 173.24 173.88 1n7r n THR 689 N -4.22 0.00 -2.52 2.02 -2.24 -1.26 -4.92 114.28 101.14 1n7r n THR 689 Ca 0.05 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1n7r n THR 689 Cb 0.56 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 1n7r n THR 689 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n7r s ASP 690 N -2.11 6.41 0.37 3.42 1.01 -1.26 -5.06 116.67 119.46 1n7r s ASP 690 Ca 0.37 1.21 -0.21 0.00 0.71 0.00 0.00 52.55 54.63 1n7r s ASP 690 Cb 0.21 -2.37 -0.10 0.00 1.01 0.00 0.00 42.92 41.67 1n7r s ASP 690 CO 0.38 -0.57 0.90 0.42 0.21 0.00 0.00 175.17 176.50 1n7r s THR 691 N -2.68 4.39 0.09 -1.27 -4.23 -1.26 -4.90 115.64 105.79 1n7r s THR 691 Ca 0.52 1.50 0.09 0.00 -1.18 0.00 0.00 61.69 62.61 1n7r s THR 691 Cb -0.10 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1n7r s THR 691 CO 0.39 -0.13 -0.20 0.00 -0.54 0.00 0.00 174.62 174.15 1n7r s ALA 692 N -1.94 2.58 0.07 3.99 0.00 -1.26 -2.16 121.76 123.03 1n7r s ALA 692 Ca 0.56 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 1n7r s ALA 692 Cb -0.12 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.44 1n7r s ALA 692 CO 0.17 0.57 0.68 0.00 0.00 0.00 0.00 175.76 177.19 1n7r s ALA 693 N -1.03 -1.69 -0.15 0.00 0.00 -0.67 -0.44 121.76 117.78 1n7r s ALA 693 Ca 0.16 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 1n7r s ALA 693 Cb -0.10 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1n7r s ALA 693 CO 0.07 -0.64 -0.03 0.99 0.00 0.00 0.00 175.76 176.16 1n7r s THR 694 N -2.89 3.99 -0.51 0.00 2.01 -0.70 -1.53 115.64 116.01 1n7r s THR 694 Ca -0.02 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 1n7r s THR 694 Cb -0.01 -2.75 0.04 0.00 0.01 0.00 0.00 72.50 69.80 1n7r s THR 694 CO -0.06 0.50 0.84 -0.89 -0.69 0.00 0.00 174.62 174.32 1n7r s THR 695 N 0.26 4.55 0.08 -0.82 2.01 -0.32 -1.66 115.64 119.74 1n7r s THR 695 Ca -0.02 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1n7r s THR 695 Cb -0.14 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.86 1n7r s THR 695 CO 0.03 -0.92 1.54 0.40 -0.69 0.00 0.00 174.62 174.98 1n7r h ILE 696 N 5.99 1.23 -3.01 1.82 2.04 -1.62 0.45 117.51 124.40 1n7r h ILE 696 Ca -0.26 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1n7r h ILE 696 Cb 1.08 1.32 -0.18 0.00 -0.74 0.00 0.00 36.82 38.30 1n7r h ILE 696 CO 1.02 0.24 -0.19 -0.62 0.00 0.00 0.00 178.15 178.60 1n7r s ASP 697 N -5.81 -0.23 -0.35 1.72 -1.08 -1.03 -4.25 116.67 105.64 1n7r s ASP 697 Ca -0.14 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1n7r s ASP 697 Cb 0.07 0.37 0.14 0.00 -1.46 0.00 0.00 42.92 42.04 1n7r s ASP 697 CO 0.73 -0.55 0.22 -1.58 0.52 0.00 0.00 175.17 174.51 1n7r s GLN 698 N -1.87 0.57 -0.23 4.34 0.74 -1.25 -1.64 119.66 120.32 1n7r s GLN 698 Ca -0.09 -1.38 -0.13 0.00 0.05 0.00 0.00 55.36 53.80 1n7r s GLN 698 Cb -0.03 -1.30 -0.04 0.00 1.10 0.00 0.00 33.01 32.74 1n7r s GLN 698 CO 0.01 -1.22 0.29 0.50 -0.55 0.00 0.00 175.29 174.32 1n7r s ARG 699 N 1.00 4.11 0.08 1.67 6.06 -0.15 -4.86 118.95 126.85 1n7r s ARG 699 Ca 0.19 -0.03 -0.31 0.00 -2.50 0.00 0.00 55.73 53.08 1n7r s ARG 699 Cb -0.21 -3.55 -0.07 0.00 0.06 0.00 0.00 34.95 31.18 1n7r s ARG 699 CO -0.01 -0.02 1.29 0.21 -2.50 0.00 0.00 175.30 174.28 1n7r s LYS 700 N 1.27 4.37 0.35 5.12 2.20 -1.26 -1.51 119.74 130.28 1n7r s LYS 700 Ca 0.13 1.91 0.05 0.00 -0.36 0.00 0.00 55.97 57.71 1n7r s LYS 700 Cb -0.14 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1n7r s LYS 700 CO 0.07 -0.36 0.50 -0.51 -0.36 0.00 0.00 175.35 174.68 1n7r s LEU 701 N 1.19 3.95 -0.11 5.43 1.43 -0.12 -4.96 118.68 125.47 1n7r s LEU 701 Ca 0.62 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1n7r s LEU 701 Cb -0.33 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1n7r s LEU 701 CO 0.29 -0.45 -0.22 -1.61 0.23 0.00 0.00 176.35 174.60 1n7r s GLU 702 N -4.23 3.09 0.54 1.70 2.02 -1.26 -4.62 118.70 115.95 1n7r s GLU 702 Ca 0.45 -0.85 0.21 0.00 0.02 0.00 0.00 54.97 54.80 1n7r s GLU 702 Cb -0.10 -2.38 1.47 0.00 0.10 0.00 0.00 34.13 33.22 1n7r s GLU 702 CO 0.32 0.13 2.18 0.66 0.02 0.00 0.00 175.26 178.57 1n7r h SER 703 N 6.87 0.00 1.01 -0.19 4.64 -1.99 -1.75 113.55 122.14 1n7r h SER 703 Ca -0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1n7r h SER 703 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1n7r h SER 703 CO 0.50 0.01 -0.10 0.77 -0.87 0.00 0.00 176.83 177.14 1n7r h SER 704 N 0.00 0.00 -2.57 4.97 4.64 -2.06 -3.37 113.55 115.16 1n7r h SER 704 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1n7r h SER 704 Cb 0.03 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.72 1n7r h SER 704 CO 0.00 0.10 -0.83 -3.20 -0.87 0.00 0.00 176.83 172.04 1n7r n ASN 705 N -3.24 1.01 -4.76 4.97 2.85 -0.66 -5.12 115.26 110.31 1n7r n ASN 705 Ca 0.00 -2.75 -0.41 0.00 -0.11 0.00 0.00 54.58 51.32 1n7r n ASN 705 Cb 0.37 -0.64 -0.01 0.00 1.24 0.00 0.00 39.78 40.74 1n7r n ASN 705 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1n7r s PRO 706 N -0.72 4.20 0.00 1.20 0.04 -1.26 -4.53 135.00 133.94 1n7r s PRO 706 Ca 0.31 2.44 -0.22 0.00 0.04 0.00 0.00 61.00 63.57 1n7r s PRO 706 Cb 0.03 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1n7r s PRO 706 CO -0.17 -0.46 0.65 0.71 0.04 0.00 0.00 177.00 177.77 1n7r s TYR 707 N -0.56 3.68 -0.10 0.56 2.02 -1.26 -4.59 117.35 117.10 1n7r s TYR 707 Ca 0.56 1.27 -0.21 0.00 -0.37 0.00 0.00 57.07 58.33 1n7r s TYR 707 Cb -0.44 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.39 1n7r s TYR 707 CO 0.52 0.30 0.58 0.21 -1.57 0.00 0.00 175.55 175.60 1n7r s LYS 708 N -0.04 4.38 -0.18 -0.62 2.20 -0.28 -4.93 119.74 120.27 1n7r s LYS 708 Ca 0.34 0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 56.51 1n7r s LYS 708 Cb -0.19 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1n7r s LYS 708 CO 0.19 0.09 0.10 0.08 -0.36 0.00 0.00 175.35 175.45 1n7r s VAL 709 N 0.78 5.17 -0.06 4.02 1.01 -1.26 -1.48 120.40 128.58 1n7r s VAL 709 Ca 0.31 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1n7r s VAL 709 Cb -0.16 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1n7r s VAL 709 CO 0.14 0.48 -0.15 -0.31 0.00 0.00 0.00 175.10 175.26 1n7r s TYR 710 N 0.07 2.70 -0.14 5.22 1.51 0.35 -1.36 117.35 125.71 1n7r s TYR 710 Ca 0.08 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1n7r s TYR 710 Cb -0.12 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1n7r s TYR 710 CO -0.00 0.11 -0.21 0.08 -1.11 0.00 0.00 175.55 174.42 1n7r s VAL 711 N -0.55 1.98 -1.03 0.71 1.01 -0.58 -0.89 120.40 121.04 1n7r s VAL 711 Ca 0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1n7r s VAL 711 Cb -0.11 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1n7r s VAL 711 CO 0.01 0.53 0.08 0.59 0.00 0.00 0.00 175.10 176.32 1n7r n ASN 712 N 4.12 -3.75 -0.14 3.32 3.02 -0.77 -1.60 115.26 119.48 1n7r n ASN 712 Ca -0.20 0.12 -0.02 0.00 -0.03 0.00 0.00 54.58 54.46 1n7r n ASN 712 Cb 0.51 -3.18 -0.01 0.00 -0.61 0.00 0.00 39.78 36.50 1n7r n ASN 712 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1n7r n ASP 713 N -1.87 -3.52 -4.25 6.41 2.03 -1.26 -5.02 116.55 109.08 1n7r n ASP 713 Ca -0.12 0.04 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 1n7r n ASP 713 Cb 0.60 -1.18 -0.16 0.00 -0.72 0.00 0.00 41.12 39.65 1n7r n ASP 713 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1n7r s LYS 714 N -1.26 2.37 0.26 -0.67 1.02 -0.62 -5.04 119.74 115.80 1n7r s LYS 714 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1n7r s LYS 714 Cb 0.00 -2.04 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 1n7r s LYS 714 CO 0.00 0.37 1.29 -1.91 -0.92 0.00 0.00 175.35 174.18 1n7r n GLU 715 N 2.94 1.85 -4.39 1.68 2.13 -1.26 -1.53 120.64 122.06 1n7r n GLU 715 Ca -0.17 0.65 -0.27 0.00 0.66 0.00 0.00 57.16 58.03 1n7r n GLU 715 Cb 0.52 -2.23 -0.11 0.00 0.27 0.00 0.00 31.44 29.89 1n7r n GLU 715 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n7r s ALA 716 N -0.48 2.60 -0.17 4.31 0.00 -0.46 -4.81 121.76 122.74 1n7r s ALA 716 Ca 0.64 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1n7r s ALA 716 Cb -0.66 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1n7r s ALA 716 CO 0.55 0.45 -0.20 -1.12 0.00 0.00 0.00 175.76 175.44 1n7r s SER 717 N -2.63 3.14 0.13 0.00 0.01 -1.26 -4.39 113.70 108.70 1n7r s SER 717 Ca 0.21 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1n7r s SER 717 Cb -0.08 -1.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 1n7r s SER 717 CO 0.10 0.01 0.34 -0.76 0.41 0.00 0.00 173.24 173.35 1n7r s LEU 718 N 1.22 4.28 0.33 2.44 1.43 -1.26 -5.08 118.68 122.04 1n7r s LEU 718 Ca 0.03 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1n7r s LEU 718 Cb -0.13 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1n7r s LEU 718 CO -0.11 0.07 0.17 0.42 0.23 0.00 0.00 176.35 177.12 1n7r s THR 719 N -1.65 0.35 0.17 5.49 -4.23 -1.26 -4.72 115.64 109.80 1n7r s THR 719 Ca 0.40 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.77 1n7r s THR 719 Cb -0.12 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1n7r s THR 719 CO 0.26 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.78 1n7r h GLU 720 N 2.12 0.43 -6.53 3.99 5.08 -1.91 -0.77 114.58 116.97 1n7r h GLU 720 Ca -0.33 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.48 1n7r h GLU 720 Cb 1.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n7r h GLU 720 CO 0.51 0.28 0.52 -1.14 -1.00 0.00 0.00 179.01 178.18 1n7r s GLN 721 N -6.14 4.49 0.03 2.33 2.00 -1.26 -4.66 119.66 116.44 1n7r s GLN 721 Ca -0.13 1.72 -0.33 0.00 -2.00 0.00 0.00 55.36 54.62 1n7r s GLN 721 Cb 0.13 -3.33 -0.12 0.00 0.80 0.00 0.00 33.01 30.49 1n7r s GLN 721 CO 0.73 -0.13 1.80 -1.91 -0.50 0.00 0.00 175.29 175.27 1n7r n GLU 722 N 3.41 2.32 -4.25 1.67 2.13 -1.26 -4.77 120.64 119.89 1n7r n GLU 722 Ca 0.07 0.85 -0.33 0.00 0.66 0.00 0.00 57.16 58.40 1n7r n GLU 722 Cb 0.47 -2.69 -0.08 0.00 0.27 0.00 0.00 31.44 29.41 1n7r n GLU 722 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1n7r s LYS 723 N 2.99 2.87 0.08 5.31 1.02 -0.67 -4.93 119.74 126.42 1n7r s LYS 723 Ca 0.87 -0.56 -0.13 0.00 0.02 0.00 0.00 55.97 56.17 1n7r s LYS 723 Cb -0.64 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 1n7r s LYS 723 CO 0.45 0.64 0.46 -0.51 -0.92 0.00 0.00 175.35 175.47 1n7r s ASP 724 N -1.51 6.77 -0.44 2.83 -0.00 -1.26 -1.72 116.67 121.32 1n7r s ASP 724 Ca 0.19 0.95 0.03 0.00 -0.00 0.00 0.00 52.55 53.72 1n7r s ASP 724 Cb -0.12 -2.24 0.15 0.00 -0.00 0.00 0.00 42.92 40.72 1n7r s ASP 724 CO 0.10 0.20 0.31 -0.31 -0.00 0.00 0.00 175.17 175.46 1n7r s TYR 725 N -1.32 1.56 0.75 4.23 1.51 -0.37 -5.01 117.35 118.70 1n7r s TYR 725 Ca 0.32 -2.33 -0.11 0.00 -1.01 0.00 0.00 57.07 53.94 1n7r s TYR 725 Cb -0.15 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1n7r s TYR 725 CO 0.17 -0.78 1.08 -2.14 -1.11 0.00 0.00 175.55 172.77 1n7r s PRO 726 N 0.15 2.50 -1.51 -1.71 0.02 -1.26 -2.12 135.00 131.06 1n7r s PRO 726 Ca 0.25 0.80 -0.13 0.00 0.02 0.00 0.00 61.00 61.95 1n7r s PRO 726 Cb -0.10 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.54 1n7r s PRO 726 CO -0.10 -1.37 0.97 0.39 -0.33 0.00 0.00 177.00 176.56 1n7r n GLU 727 N -3.29 -5.60 -2.61 5.54 -0.58 -1.22 -4.93 120.64 107.96 1n7r n GLU 727 Ca 0.07 0.61 -0.43 0.00 -0.42 0.00 0.00 57.16 56.99 1n7r n GLU 727 Cb 0.55 -5.48 -0.02 0.00 -0.57 0.00 0.00 31.44 25.91 1n7r n GLU 727 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1n7r s THR 728 N -3.33 4.59 -0.12 2.62 2.01 0.67 -4.78 115.64 117.29 1n7r s THR 728 Ca 0.62 1.91 0.17 0.00 0.31 0.00 0.00 61.69 64.70 1n7r s THR 728 Cb -0.31 -4.26 -0.19 0.00 0.01 0.00 0.00 72.50 67.75 1n7r s THR 728 CO 0.83 -0.20 0.62 1.67 -0.69 0.00 0.00 174.62 176.84 1n7r n GLN 729 N 6.43 0.64 -3.61 4.92 -0.06 -1.26 -1.40 117.38 123.04 1n7r n GLN 729 Ca 0.12 0.13 -0.16 0.00 -2.00 0.00 0.00 57.00 55.09 1n7r n GLN 729 Cb 0.46 -1.71 -0.07 0.00 -4.06 0.00 0.00 30.24 24.86 1n7r n GLN 729 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1n7r s SER 730 N -5.58 -0.50 0.02 1.69 1.04 -1.26 -0.17 113.70 108.93 1n7r s SER 730 Ca -0.05 0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.97 1n7r s SER 730 Cb 0.09 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1n7r s SER 730 CO 0.83 -0.52 -0.14 -0.69 0.98 0.00 0.00 173.24 173.69 1n7r s VAL 731 N -1.12 1.10 -0.04 5.02 1.01 -0.30 -1.84 120.40 124.23 1n7r s VAL 731 Ca -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1n7r s VAL 731 Cb -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1n7r s VAL 731 CO 0.07 0.15 0.07 0.12 0.00 0.00 0.00 175.10 175.51 1n7r s PHE 732 N -0.60 0.02 -0.44 5.22 5.36 -0.07 -1.34 117.98 126.13 1n7r s PHE 732 Ca 0.03 0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 56.13 1n7r s PHE 732 Cb -0.07 -0.41 0.04 0.00 -0.34 0.00 0.00 43.02 42.24 1n7r s PHE 732 CO 0.00 -0.19 0.42 -0.51 -1.46 0.00 0.00 175.22 173.49 1n7r s LEU 733 N 2.01 5.08 -0.22 6.12 1.43 0.41 -0.49 118.68 133.01 1n7r s LEU 733 Ca 0.02 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1n7r s LEU 733 Cb -0.12 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1n7r s LEU 733 CO -0.03 -0.60 0.06 -0.70 0.23 0.00 0.00 176.35 175.30 1n7r s GLU 734 N 2.00 3.78 0.39 1.70 2.12 -0.55 -1.73 118.70 126.41 1n7r s GLU 734 Ca 0.09 -0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.07 1n7r s GLU 734 Cb -0.19 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1n7r s GLU 734 CO 0.11 0.01 0.25 0.45 -0.54 0.00 0.00 175.26 175.55 1n7r s SER 735 N 1.07 4.79 0.27 -1.70 0.15 -1.26 -1.13 113.70 115.88 1n7r s SER 735 Ca 0.04 -0.83 0.25 0.00 0.70 0.00 0.00 55.95 56.11 1n7r s SER 735 Cb -0.14 -0.62 0.93 0.00 -1.71 0.00 0.00 66.02 64.48 1n7r s SER 735 CO 0.03 -0.51 1.75 0.77 1.20 0.00 0.00 173.24 176.48 1n7r h SER 736 N 1.29 0.00 -3.72 5.45 4.64 -1.95 -3.40 113.55 115.86 1n7r h SER 736 Ca -0.43 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.20 1n7r h SER 736 Cb 1.26 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.04 1n7r h SER 736 CO 0.63 0.00 -0.65 -0.62 -0.87 0.00 0.00 176.83 175.31 1n7r s ASP 737 N -4.50 5.09 0.42 4.97 3.68 -1.26 -5.01 116.67 120.06 1n7r s ASP 737 Ca 0.06 -1.24 0.27 0.00 2.13 0.00 0.00 52.55 53.77 1n7r s ASP 737 Cb 0.10 -1.78 1.37 0.00 -1.45 0.00 0.00 42.92 41.16 1n7r s ASP 737 CO 0.48 -0.30 1.63 0.28 0.13 0.00 0.00 175.17 177.39 1n7r h SER 738 N 8.10 0.29 0.00 -0.34 0.02 -1.94 -1.34 113.55 118.33 1n7r h SER 738 Ca -0.22 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1n7r h SER 738 Cb 1.07 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1n7r h SER 738 CO 0.57 -0.20 0.00 0.29 -1.14 0.00 0.00 176.83 176.35 1n7r n LYS 739 N -4.79 0.66 0.00 3.45 4.76 -1.26 -2.62 118.16 118.37 1n7r n LYS 739 Ca 0.36 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1n7r n LYS 739 Cb 1.35 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 1n7r n LYS 739 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n7r n LYS 740 N -0.60 -0.69 -2.45 1.97 5.02 -0.51 -0.20 118.16 120.71 1n7r n LYS 740 Ca 0.03 -0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 55.51 1n7r n LYS 740 Cb 0.01 -0.89 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1n7r n LYS 740 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n7r s ASN 741 N -0.03 6.94 -0.05 4.39 0.01 -1.08 -4.79 114.94 120.34 1n7r s ASN 741 Ca 0.00 2.23 -0.02 0.00 -0.71 0.00 0.00 52.86 54.36 1n7r s ASN 741 Cb 0.00 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 39.08 1n7r s ASN 741 CO 0.00 -0.37 0.04 -0.63 -1.51 0.00 0.00 177.10 174.62 1n7r s ILE 742 N -1.37 0.08 0.05 0.60 1.01 -0.71 -1.14 121.20 119.72 1n7r s ILE 742 Ca 0.51 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.50 1n7r s ILE 742 Cb -0.29 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1n7r s ILE 742 CO 0.37 0.21 -0.03 -0.83 0.00 0.00 0.00 174.94 174.66 1n7r s GLY 743 N 2.05 1.85 -0.11 6.18 0.00 -0.52 -0.45 107.32 116.32 1n7r s GLY 743 Ca 0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1n7r s GLY 743 CO -0.04 -0.99 -0.07 -0.19 0.00 0.00 0.00 173.10 171.81 1n7r s TYR 744 N -1.16 1.42 -0.23 1.90 1.51 -0.45 -0.92 117.35 119.42 1n7r s TYR 744 Ca 0.21 -0.70 -0.06 0.00 -1.01 0.00 0.00 57.07 55.51 1n7r s TYR 744 Cb -0.11 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1n7r s TYR 744 CO 0.13 -0.50 0.03 0.12 -1.11 0.00 0.00 175.55 174.21 1n7r s PHE 745 N 1.73 3.04 -0.32 2.71 5.36 -0.25 -1.15 117.98 129.11 1n7r s PHE 745 Ca 0.05 -0.58 -0.18 0.00 -0.96 0.00 0.00 56.93 55.26 1n7r s PHE 745 Cb -0.13 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1n7r s PHE 745 CO -0.08 -0.40 0.51 -0.06 -1.46 0.00 0.00 175.22 173.73 1n7r s PHE 746 N 1.50 3.21 0.25 10.12 0.40 0.76 -0.35 117.98 133.87 1n7r s PHE 746 Ca 0.06 0.35 -0.04 0.00 -0.60 0.00 0.00 56.93 56.70 1n7r s PHE 746 Cb -0.15 -2.84 0.29 0.00 0.51 0.00 0.00 43.02 40.83 1n7r s PHE 746 CO 0.01 -0.44 1.77 0.74 0.70 0.00 0.00 175.22 178.01 1n7r h PHE 747 N 8.30 0.96 -4.23 0.36 0.04 -1.82 -3.38 116.94 117.17 1n7r h PHE 747 Ca -0.28 -0.11 -0.69 0.00 2.80 0.00 0.00 57.97 59.68 1n7r h PHE 747 Cb 1.13 -0.27 -0.25 0.00 2.20 0.00 0.00 35.95 38.75 1n7r h PHE 747 CO 0.74 0.82 -0.83 0.15 -0.60 0.00 0.00 178.31 178.58 1n7r s LYS 748 N -5.18 2.16 0.13 1.51 1.02 -1.26 -5.06 119.74 113.06 1n7r s LYS 748 Ca -0.10 -0.91 -0.35 0.00 0.02 0.00 0.00 55.97 54.63 1n7r s LYS 748 Cb 0.15 -2.17 -0.16 0.00 -0.52 0.00 0.00 37.83 35.13 1n7r s LYS 748 CO 0.82 0.57 1.20 1.63 -0.92 0.00 0.00 175.35 178.64 1n7r n LYS 749 N 2.06 1.02 -4.12 1.68 5.02 -1.26 -4.90 118.16 117.66 1n7r n LYS 749 Ca -0.16 0.37 -0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1n7r n LYS 749 Cb 0.52 -1.90 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1n7r n LYS 749 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n7r s SER 750 N 0.14 0.88 -0.32 4.39 0.01 -0.49 -4.85 113.70 113.45 1n7r s SER 750 Ca 0.78 -0.90 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 1n7r s SER 750 Cb -0.93 0.11 0.03 0.00 0.21 0.00 0.00 66.02 65.45 1n7r s SER 750 CO 0.51 -0.44 0.08 -0.55 0.41 0.00 0.00 173.24 173.25 1n7r s SER 751 N -2.67 5.18 0.29 2.44 0.15 -1.26 -0.24 113.70 117.60 1n7r s SER 751 Ca 0.05 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.75 1n7r s SER 751 Cb 0.02 -1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 62.42 1n7r s SER 751 CO -0.05 -0.28 -0.05 0.27 1.20 0.00 0.00 173.24 174.34 1n7r s ILE 752 N 1.41 1.64 0.10 6.45 -4.36 -0.90 -4.43 121.20 121.11 1n7r s ILE 752 Ca -0.01 -2.11 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1n7r s ILE 752 Cb -0.19 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1n7r s ILE 752 CO 0.02 -0.26 -0.15 -0.94 0.24 0.00 0.00 174.94 173.85 1n7r s SER 753 N -3.46 1.97 -0.03 4.36 1.04 0.35 -1.24 113.70 116.69 1n7r s SER 753 Ca 0.30 -0.72 -0.09 0.00 0.48 0.00 0.00 55.95 55.92 1n7r s SER 753 Cb 0.04 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.10 1n7r s SER 753 CO 0.13 -0.09 0.20 -0.04 0.98 0.00 0.00 173.24 174.41 1n7r s MET 754 N -2.22 0.45 0.08 4.02 -1.94 -0.70 -1.57 119.30 117.43 1n7r s MET 754 Ca 0.05 -0.14 -0.09 0.00 -1.71 0.00 0.00 55.69 53.80 1n7r s MET 754 Cb -0.08 0.20 -0.00 0.00 2.01 0.00 0.00 34.83 36.96 1n7r s MET 754 CO 0.03 -0.10 0.19 -1.54 -0.01 0.00 0.00 175.02 173.58 1n7r s SER 755 N -0.91 0.12 -0.16 3.03 1.04 -0.72 -1.66 113.70 114.44 1n7r s SER 755 Ca -0.10 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1n7r s SER 755 Cb -0.05 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1n7r s SER 755 CO 0.02 -0.72 -0.10 -0.75 0.98 0.00 0.00 173.24 172.67 1n7r s LYS 756 N -3.79 1.87 0.02 4.02 2.20 -0.30 -1.52 119.74 122.25 1n7r s LYS 756 Ca 0.04 -0.56 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 1n7r s LYS 756 Cb 0.05 -2.05 -0.00 0.00 -1.51 0.00 0.00 37.83 34.31 1n7r s LYS 756 CO -0.11 -0.34 0.12 0.00 -0.36 0.00 0.00 175.35 174.67 1n7r s ALA 757 N 1.54 -0.23 -0.10 3.13 0.00 -0.61 -2.79 121.76 122.71 1n7r s ALA 757 Ca 0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1n7r s ALA 757 Cb -0.14 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1n7r s ALA 757 CO -0.09 -0.25 1.07 -1.17 0.00 0.00 0.00 175.76 175.32 1n7r s LEU 758 N -1.68 4.24 -0.07 0.00 2.96 -1.26 -1.85 118.68 121.02 1n7r s LEU 758 Ca -0.11 1.61 0.05 0.00 -0.22 0.00 0.00 54.13 55.46 1n7r s LEU 758 Cb -0.05 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1n7r s LEU 758 CO -0.01 -0.51 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.17 1n7r s GLN 759 N 2.19 2.74 0.23 1.98 -0.21 -0.40 -4.98 119.66 121.20 1n7r s GLN 759 Ca 0.50 -0.88 0.11 0.00 0.02 0.00 0.00 55.36 55.11 1n7r s GLN 759 Cb -0.20 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1n7r s GLN 759 CO 0.18 0.32 -0.20 0.15 -2.12 0.00 0.00 175.29 173.62 1n7r s LYS 760 N -0.01 1.52 0.00 2.91 1.02 -1.26 -2.21 119.74 121.71 1n7r s LYS 760 Ca -0.08 -1.62 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1n7r s LYS 760 Cb -0.15 -1.63 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1n7r s LYS 760 CO 0.05 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 1n7r n GLY 761 N -0.19 0.01 3.34 -3.33 0.00 -1.08 -4.84 105.19 99.09 1n7r n GLY 761 Ca -0.09 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 1n7r n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7r s ALA 762 N -2.00 2.02 0.49 4.61 0.00 -1.26 -1.47 121.76 124.15 1n7r s ALA 762 Ca 0.00 -1.52 0.15 0.00 0.00 0.00 0.00 51.96 50.59 1n7r s ALA 762 Cb 0.00 -0.17 1.14 0.00 0.00 0.00 0.00 23.12 24.09 1n7r s ALA 762 CO 0.00 0.21 2.08 -1.49 0.00 0.00 0.00 175.76 176.55 1n7r h TRP 763 N 3.13 0.00 -0.40 0.00 4.06 -1.77 -2.50 115.95 118.46 1n7r h TRP 763 Ca -0.41 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.55 1n7r h TRP 763 Cb 1.21 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 1n7r h TRP 763 CO 0.69 0.09 0.27 -0.22 -3.56 0.00 0.00 178.44 175.70 1n7r h LYS 764 N 0.00 0.49 -0.62 0.49 3.64 -1.39 -2.01 116.57 117.17 1n7r h LYS 764 Ca -0.00 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.52 1n7r h LYS 764 Cb 0.15 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1n7r h LYS 764 CO 0.01 0.32 0.44 -0.44 -2.27 0.00 0.00 179.45 177.51 1n7r h ASP 765 N 0.50 0.06 -0.00 4.20 3.32 -1.75 -2.89 116.42 119.86 1n7r h ASP 765 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1n7r h ASP 765 Cb 0.01 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n7r h ASP 765 CO -0.04 0.03 -0.27 2.30 -1.72 0.00 0.00 179.24 179.55 1n7r n ILE 766 N -4.38 0.00 -3.15 0.35 -5.35 -0.92 -4.78 119.36 101.14 1n7r n ILE 766 Ca 0.12 -0.37 0.04 0.00 -0.27 0.00 0.00 62.75 62.27 1n7r n ILE 766 Cb 0.65 1.08 -0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1n7r n ILE 766 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1n7r s ASN 767 N -1.48 -1.53 0.32 7.28 3.84 -0.80 -0.84 114.94 121.73 1n7r s ASN 767 Ca 0.07 0.36 0.15 0.00 0.21 0.00 0.00 52.86 53.64 1n7r s ASN 767 Cb 0.07 2.04 1.09 0.00 -0.55 0.00 0.00 41.25 43.90 1n7r s ASN 767 CO 0.28 -0.28 1.39 -0.62 -2.79 0.00 0.00 177.10 175.08 1n7r n GLU 768 N 5.41 -0.06 0.01 0.43 -0.58 -0.95 -0.94 120.64 123.97 1n7r n GLU 768 Ca 0.04 1.23 0.06 0.00 -0.42 0.00 0.00 57.16 58.07 1n7r n GLU 768 Cb 0.53 -2.16 0.26 0.00 -0.57 0.00 0.00 31.44 29.50 1n7r n GLU 768 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n7r n GLY 769 N -1.27 -0.91 4.01 0.62 0.00 -1.26 -4.92 105.19 101.47 1n7r n GLY 769 Ca 0.31 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 1n7r n GLY 769 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n7r s GLN 770 N -3.03 2.69 0.44 1.61 -1.52 -0.12 -5.06 119.66 114.67 1n7r s GLN 770 Ca 0.05 -1.29 -0.25 0.00 -1.95 0.00 0.00 55.36 51.93 1n7r s GLN 770 Cb 0.07 -2.71 -0.08 0.00 -0.22 0.00 0.00 33.01 30.07 1n7r s GLN 770 CO 0.21 -0.44 1.27 0.45 -0.25 0.00 0.00 175.29 176.53 1n7r s SER 771 N -4.43 6.15 0.00 5.90 0.15 -1.26 -4.20 113.70 116.02 1n7r s SER 771 Ca 0.57 2.56 0.28 0.00 0.70 0.00 0.00 55.95 60.06 1n7r s SER 771 Cb -0.09 -2.63 0.98 0.00 -1.71 0.00 0.00 66.02 62.57 1n7r s SER 771 CO 0.35 -0.95 1.71 -0.90 1.20 0.00 0.00 173.24 174.65 1n7r n ASP 772 N -0.17 1.61 -4.71 5.45 3.85 -1.26 -1.41 116.55 119.91 1n7r n ASP 772 Ca 0.05 -1.53 -0.43 0.00 -0.71 0.00 0.00 54.79 52.18 1n7r n ASP 772 Cb 0.45 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 1n7r n ASP 772 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1n7r n LYS 773 N 0.25 2.66 -2.01 0.11 4.81 -1.26 -4.81 118.16 117.91 1n7r n LYS 773 Ca 0.19 0.96 -0.41 0.00 -0.87 0.00 0.00 58.31 58.17 1n7r n LYS 773 Cb 0.37 -2.80 -0.02 0.00 0.02 0.00 0.00 35.03 32.60 1n7r n LYS 773 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1n7r s GLU 774 N 1.24 4.26 0.14 1.64 2.12 -1.26 -4.44 118.70 122.41 1n7r s GLU 774 Ca 0.76 2.30 0.10 0.00 0.36 0.00 0.00 54.97 58.50 1n7r s GLU 774 Cb -0.54 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1n7r s GLU 774 CO 0.34 -0.43 -0.24 0.08 -0.54 0.00 0.00 175.26 174.46 1n7r s VAL 775 N 0.08 2.13 0.02 3.70 1.01 -0.54 -5.00 120.40 121.80 1n7r s VAL 775 Ca 0.60 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 1n7r s VAL 775 Cb -0.42 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1n7r s VAL 775 CO 0.42 -0.02 0.03 -1.83 0.00 0.00 0.00 175.10 173.70 1n7r s GLU 776 N -2.23 0.44 -0.08 2.72 -1.05 -1.26 -2.64 118.70 114.60 1n7r s GLU 776 Ca 0.14 -0.68 -0.22 0.00 -0.15 0.00 0.00 54.97 54.06 1n7r s GLU 776 Cb -0.09 0.17 0.05 0.00 -0.44 0.00 0.00 34.13 33.81 1n7r s GLU 776 CO 0.07 -0.09 0.51 -0.80 0.95 0.00 0.00 175.26 175.89 1n7r s ASN 777 N -1.78 -0.47 0.20 0.83 0.01 -0.94 -5.00 114.94 107.79 1n7r s ASN 777 Ca -0.10 0.61 -0.21 0.00 -0.71 0.00 0.00 52.86 52.44 1n7r s ASN 777 Cb -0.05 0.63 -0.08 0.00 0.41 0.00 0.00 41.25 42.15 1n7r s ASN 777 CO -0.02 -0.42 0.73 -0.70 -1.51 0.00 0.00 177.10 175.17 1n7r s GLU 778 N -0.79 4.34 0.01 -0.60 2.56 -1.26 -1.28 118.70 121.69 1n7r s GLU 778 Ca -0.09 0.95 0.03 0.00 0.00 0.00 0.00 54.97 55.86 1n7r s GLU 778 Cb -0.03 -3.01 -0.01 0.00 2.00 0.00 0.00 34.13 33.08 1n7r s GLU 778 CO 0.05 0.46 -0.09 -0.06 -0.56 0.00 0.00 175.26 175.06 1n7r s PHE 779 N -1.39 0.80 -0.20 5.30 0.40 -0.77 -0.95 117.98 121.17 1n7r s PHE 779 Ca 0.40 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1n7r s PHE 779 Cb -0.19 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1n7r s PHE 779 CO 0.22 -0.02 -0.01 -1.17 0.70 0.00 0.00 175.22 174.95 1n7r s LEU 780 N -0.66 3.19 -0.12 -0.37 2.96 -0.57 -1.57 118.68 121.54 1n7r s LEU 780 Ca 0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1n7r s LEU 780 Cb -0.05 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1n7r s LEU 780 CO 0.00 0.06 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.08 1n7r s THR 781 N 1.04 3.15 -0.08 3.68 2.01 -0.58 -0.98 115.64 123.88 1n7r s THR 781 Ca 0.02 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.42 1n7r s THR 781 Cb -0.14 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 1n7r s THR 781 CO 0.01 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 1n7r s ILE 782 N 0.16 1.89 0.05 1.82 1.01 -0.65 -1.76 121.20 123.72 1n7r s ILE 782 Ca -0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1n7r s ILE 782 Cb -0.15 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1n7r s ILE 782 CO 0.05 0.52 0.19 -0.94 0.00 0.00 0.00 174.94 174.76 1n7r s SER 783 N 0.23 0.06 -0.18 3.58 1.04 -0.61 -1.60 113.70 116.23 1n7r s SER 783 Ca -0.13 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 1n7r s SER 783 Cb -0.16 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1n7r s SER 783 CO 0.06 -0.59 -0.05 -1.58 0.98 0.00 0.00 173.24 172.07 1n7r s GLN 784 N -2.81 1.44 0.27 4.02 0.74 -0.66 -0.50 119.66 122.16 1n7r s GLN 784 Ca -0.03 -0.60 -0.29 0.00 0.05 0.00 0.00 55.36 54.49 1n7r s GLN 784 Cb 0.00 -2.12 -0.10 0.00 1.10 0.00 0.00 33.01 31.90 1n7r s GLN 784 CO -0.05 -0.47 1.21 0.00 -0.55 0.00 0.00 175.29 175.43 1n7r s ALA 785 N 1.60 3.46 -0.58 1.58 0.00 -1.26 -1.72 121.76 124.84 1n7r s ALA 785 Ca -0.00 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 1n7r s ALA 785 Cb -0.16 -3.41 0.15 0.00 0.00 0.00 0.00 23.12 19.70 1n7r s ALA 785 CO -0.08 -0.40 0.36 -1.01 0.00 0.00 0.00 175.76 174.63 1n7r s HIS 786 N -0.84 3.36 -0.17 0.00 0.09 0.42 -4.94 115.29 113.21 1n7r s HIS 786 Ca 0.49 -2.86 0.17 0.00 -0.00 0.00 0.00 55.06 52.86 1n7r s HIS 786 Cb -0.35 -3.07 -0.00 0.00 -0.00 0.00 0.00 32.58 29.15 1n7r s HIS 786 CO 0.44 -0.82 1.17 0.87 -0.00 0.00 0.00 174.74 176.40 1n7r h LYS 787 N 6.92 0.00 -6.74 1.40 1.57 -1.96 -3.39 116.57 114.37 1n7r h LYS 787 Ca -0.04 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.07 1n7r h LYS 787 Cb 0.94 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.06 1n7r h LYS 787 CO 0.70 0.33 -0.82 -0.65 -0.57 0.00 0.00 179.45 178.45 1n7r s GLN 788 N -3.01 1.65 0.50 3.15 -1.52 -1.26 -5.07 119.66 114.11 1n7r s GLN 788 Ca 0.01 -1.29 -0.22 0.00 -1.95 0.00 0.00 55.36 51.91 1n7r s GLN 788 Cb 0.08 -2.01 -0.06 0.00 -0.22 0.00 0.00 33.01 30.79 1n7r s GLN 788 CO 0.77 0.46 1.22 -0.80 -0.25 0.00 0.00 175.29 176.69 1n7r s ASN 789 N -2.26 5.81 0.00 5.90 0.02 -1.26 -2.80 114.94 120.35 1n7r s ASN 789 Ca 0.18 2.43 0.00 0.00 -1.02 0.00 0.00 52.86 54.45 1n7r s ASN 789 Cb -0.10 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.56 1n7r s ASN 789 CO 0.09 -1.17 0.00 0.61 0.02 0.00 0.00 177.10 176.65 1n7r n GLY 790 N 0.51 0.64 3.33 0.66 0.00 0.69 -4.99 105.19 106.03 1n7r n GLY 790 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1n7r n GLY 790 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n7r s ASP 791 N -2.35 -0.62 -0.18 1.61 1.01 -1.12 -4.46 116.67 110.56 1n7r s ASP 791 Ca 0.00 1.14 -0.27 0.00 0.71 0.00 0.00 52.55 54.13 1n7r s ASP 791 Cb 0.00 -1.70 0.07 0.00 1.01 0.00 0.00 42.92 42.30 1n7r s ASP 791 CO 0.00 -5.13 0.69 -0.55 0.21 0.00 0.00 175.17 170.39 1n7r s SER 792 N -2.77 -0.70 0.16 0.27 0.15 -1.26 -2.19 113.70 107.35 1n7r s SER 792 Ca 0.68 1.15 0.03 0.00 0.70 0.00 0.00 55.95 58.51 1n7r s SER 792 Cb -0.19 1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 65.18 1n7r s SER 792 CO 0.61 -0.38 -0.04 -0.72 1.20 0.00 0.00 173.24 173.91 1n7r s TYR 793 N -0.22 1.21 -0.30 3.44 -0.85 0.38 -4.99 117.35 116.01 1n7r s TYR 793 Ca -0.04 -0.93 -0.07 0.00 -0.52 0.00 0.00 57.07 55.51 1n7r s TYR 793 Cb -0.03 -0.67 0.18 0.00 0.38 0.00 0.00 41.96 41.82 1n7r s TYR 793 CO 0.04 -0.11 0.86 0.20 -1.52 0.00 0.00 175.55 175.03 1n7r s GLY 794 N -3.16 -0.72 0.18 5.49 0.00 -1.25 -1.80 107.32 106.05 1n7r s GLY 794 Ca 0.20 2.22 -0.18 0.00 0.00 0.00 0.00 44.72 46.96 1n7r s GLY 794 CO 0.02 3.70 0.52 -2.52 0.00 0.00 0.00 173.10 174.83 1n7r s TYR 795 N 2.91 -0.21 -0.22 1.90 -0.85 -0.63 -2.87 117.35 117.39 1n7r s TYR 795 Ca 0.11 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 1n7r s TYR 795 Cb -0.11 0.41 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1n7r s TYR 795 CO -0.17 -0.88 -0.14 1.41 -1.52 0.00 0.00 175.55 174.26 1n7r s MET 796 N -3.84 2.84 -0.20 -3.49 -2.45 0.52 -0.05 119.30 112.64 1n7r s MET 796 Ca 0.07 -0.95 -0.29 0.00 -1.25 0.00 0.00 55.69 53.27 1n7r s MET 796 Cb -0.01 -2.77 0.00 0.00 1.25 0.00 0.00 34.83 33.31 1n7r s MET 796 CO -0.06 -0.32 1.06 -1.17 1.05 0.00 0.00 175.02 175.57 1n7r s LEU 797 N 1.28 4.14 -0.42 4.11 2.96 0.41 -1.09 118.68 130.07 1n7r s LEU 797 Ca 0.01 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.39 1n7r s LEU 797 Cb -0.15 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.11 1n7r s LEU 797 CO -0.09 -0.63 0.17 -0.63 -1.32 0.00 0.00 176.35 173.85 1n7r s ILE 798 N 2.98 1.92 0.53 6.68 1.01 -0.09 -2.07 121.20 132.16 1n7r s ILE 798 Ca 0.46 -2.56 -0.06 0.00 0.00 0.00 0.00 60.65 58.49 1n7r s ILE 798 Cb -0.16 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1n7r s ILE 798 CO 0.09 -0.75 0.84 -2.16 0.00 0.00 0.00 174.94 172.96 1n7r s PRO 799 N 0.49 3.29 -1.08 2.79 0.04 -1.26 -1.44 135.00 137.83 1n7r s PRO 799 Ca 0.14 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1n7r s PRO 799 Cb -0.22 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1n7r s PRO 799 CO -0.06 -0.42 0.00 0.09 0.04 0.00 0.00 177.00 176.65 1n7r n ASN 800 N -2.41 -4.16 -4.43 6.66 4.13 -0.29 -4.98 115.26 109.78 1n7r n ASN 800 Ca 0.02 0.23 -0.25 0.00 1.68 0.00 0.00 54.58 56.26 1n7r n ASN 800 Cb 0.56 -2.67 -0.11 0.00 -1.54 0.00 0.00 39.78 36.02 1n7r n ASN 800 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1n7r s VAL 801 N -2.40 2.30 0.94 2.41 -7.23 -1.25 -4.68 120.40 110.49 1n7r s VAL 801 Ca 0.00 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 57.88 1n7r s VAL 801 Cb 0.00 -2.15 0.16 0.00 0.56 0.00 0.00 36.38 34.95 1n7r s VAL 801 CO 0.00 -0.27 1.12 1.51 -0.31 0.00 0.00 175.10 177.15 1n7r s ASP 802 N -3.02 3.19 0.38 4.85 -4.77 -1.26 -4.78 116.67 111.26 1n7r s ASP 802 Ca 0.24 1.04 0.05 0.00 -3.30 0.00 0.00 52.55 50.58 1n7r s ASP 802 Cb -0.06 -1.65 0.76 0.00 -1.09 0.00 0.00 42.92 40.87 1n7r s ASP 802 CO 0.11 -2.76 2.03 -0.09 0.70 0.00 0.00 175.17 175.16 1n7r h ARG 803 N -1.64 0.68 0.14 2.11 2.43 -1.99 -0.92 114.38 115.19 1n7r h ARG 803 Ca -0.52 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 58.32 1n7r h ARG 803 Cb 1.33 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1n7r h ARG 803 CO 0.60 0.45 -1.25 0.00 -1.51 0.00 0.00 179.97 178.26 1n7r h ALA 804 N 1.67 0.05 -0.83 2.80 0.00 -1.99 -0.88 119.26 120.07 1n7r h ALA 804 Ca 0.21 -0.82 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1n7r h ALA 804 Cb -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1n7r h ALA 804 CO -0.05 0.80 0.38 1.15 0.00 0.00 0.00 179.25 181.53 1n7r h THR 805 N 0.18 1.26 -0.32 0.00 2.02 -1.87 -1.96 112.91 112.22 1n7r h THR 805 Ca -0.17 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1n7r h THR 805 Cb 1.94 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1n7r h THR 805 CO 0.23 0.32 0.13 0.15 0.37 0.00 0.00 175.52 176.71 1n7r h PHE 806 N 1.19 0.49 -0.70 3.16 3.57 -0.90 -1.92 116.94 121.83 1n7r h PHE 806 Ca 0.28 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1n7r h PHE 806 Cb 0.15 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1n7r h PHE 806 CO 0.02 0.47 0.45 -0.91 -2.23 0.00 0.00 178.31 176.11 1n7r h ASN 807 N 0.37 0.81 -0.43 0.41 2.35 -1.07 -1.75 115.58 116.27 1n7r h ASN 807 Ca 0.11 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1n7r h ASN 807 Cb 0.19 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1n7r h ASN 807 CO -0.01 0.59 -0.03 1.56 -1.65 0.00 0.00 177.43 177.90 1n7r h GLN 808 N 0.95 0.77 -0.51 0.81 7.50 -1.05 -3.02 115.11 120.56 1n7r h GLN 808 Ca 0.25 -0.26 -0.07 0.00 0.50 0.00 0.00 58.65 59.07 1n7r h GLN 808 Cb -0.09 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 1n7r h GLN 808 CO -0.05 0.86 0.03 0.52 -1.50 0.00 0.00 178.83 178.68 1n7r h MET 809 N 0.61 0.84 0.00 1.46 2.86 -0.95 -1.48 114.93 118.27 1n7r h MET 809 Ca 0.12 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1n7r h MET 809 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1n7r h MET 809 CO 0.03 0.83 -0.35 -0.84 1.06 0.00 0.00 176.91 177.64 1n7r h ILE 810 N 0.79 1.11 -0.35 -1.22 3.07 -1.31 -1.36 117.51 118.23 1n7r h ILE 810 Ca 0.16 -1.25 -0.14 0.00 1.55 0.00 0.00 64.86 65.18 1n7r h ILE 810 Cb 0.44 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 1n7r h ILE 810 CO 0.02 0.34 -0.31 0.11 -1.05 0.00 0.00 178.15 177.26 1n7r h LYS 811 N 0.00 0.83 0.00 0.16 1.79 -1.23 -2.98 116.57 115.13 1n7r h LYS 811 Ca -0.00 -0.42 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 1n7r h LYS 811 Cb 0.67 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1n7r h LYS 811 CO 0.05 1.06 -0.04 0.93 -1.08 0.00 0.00 179.45 180.37 1n7r h GLU 812 N 0.62 0.00 -0.27 3.15 5.08 -0.51 -3.04 114.58 119.61 1n7r h GLU 812 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1n7r h GLU 812 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1n7r h GLU 812 CO 0.08 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.41 1n7r n LEU 813 N -4.49 3.02 -0.16 1.33 7.99 -0.59 -4.65 117.00 119.46 1n7r n LEU 813 Ca -0.03 -1.23 0.12 0.00 -0.01 0.00 0.00 56.01 54.87 1n7r n LEU 813 Cb 0.12 -0.17 0.46 0.00 -0.11 0.00 0.00 43.42 43.73 1n7r n LEU 813 CO 0.34 0.61 1.20 -0.08 -1.51 0.00 0.00 177.39 177.96 1n7r h GLU 814 N 4.10 0.49 -0.41 3.23 4.81 -1.40 -0.60 114.58 124.80 1n7r h GLU 814 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1n7r h GLU 814 Cb 0.89 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1n7r h GLU 814 CO 0.00 0.32 0.00 0.43 -0.73 0.00 0.00 179.01 179.03 1n7r n SER 815 N -4.49 4.02 0.02 1.04 7.64 -1.26 -4.69 113.62 115.90 1n7r n SER 815 Ca 0.13 -2.58 0.01 0.00 1.01 0.00 0.00 58.87 57.44 1n7r n SER 815 Cb 0.42 -0.48 0.34 0.00 -1.01 0.00 0.00 64.21 63.48 1n7r n SER 815 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n7r h SER 816 N 2.66 0.45 -2.65 6.43 4.64 -1.32 -3.42 113.55 120.35 1n7r h SER 816 Ca 0.00 -0.06 -0.55 0.00 -0.47 0.00 0.00 61.79 60.70 1n7r h SER 816 Cb 1.30 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1n7r h SER 816 CO 0.19 0.48 1.08 -0.22 -0.87 0.00 0.00 176.83 177.48 1n7r s LEU 817 N -9.14 4.26 -0.20 5.97 0.20 -1.26 -1.30 118.68 117.21 1n7r s LEU 817 Ca -0.07 2.13 0.05 0.00 0.69 0.00 0.00 54.13 56.92 1n7r s LEU 817 Cb 0.16 -3.53 -0.21 0.00 -0.43 0.00 0.00 46.19 42.18 1n7r s LEU 817 CO 0.75 -0.95 0.02 -0.38 -0.29 0.00 0.00 176.35 175.51 1n7r n ILE 818 N 5.57 1.53 -3.56 6.68 2.08 0.46 -4.96 119.36 127.15 1n7r n ILE 818 Ca 0.17 -0.67 -0.12 0.00 0.56 0.00 0.00 62.75 62.69 1n7r n ILE 818 Cb 0.43 -1.22 -0.05 0.00 -0.75 0.00 0.00 39.64 38.05 1n7r n ILE 818 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1n7r s GLU 819 N -2.53 0.69 -0.46 0.38 2.56 -1.09 -4.92 118.70 113.33 1n7r s GLU 819 Ca -0.24 0.13 0.06 0.00 0.00 0.00 0.00 54.97 54.92 1n7r s GLU 819 Cb 0.08 0.32 0.22 0.00 2.00 0.00 0.00 34.13 36.76 1n7r s GLU 819 CO 0.70 -0.22 0.71 -1.71 -0.56 0.00 0.00 175.26 174.18 1n7r n ASN 820 N 0.68 -2.03 -1.71 -1.70 4.05 -1.21 -0.71 115.26 112.64 1n7r n ASN 820 Ca -0.12 -2.98 -0.03 0.00 0.45 0.00 0.00 54.58 51.90 1n7r n ASN 820 Cb 0.58 0.97 -0.01 0.00 1.23 0.00 0.00 39.78 42.55 1n7r n ASN 820 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1n7r n ASN 821 N 1.99 0.79 0.28 1.20 0.23 -0.42 -4.87 115.26 114.47 1n7r n ASN 821 Ca 0.16 -1.29 0.17 0.00 -0.53 0.00 0.00 54.58 53.09 1n7r n ASN 821 Cb 0.58 0.15 0.70 0.00 -2.08 0.00 0.00 39.78 39.13 1n7r n ASN 821 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1n7r h GLU 822 N 0.00 0.00 0.00 -3.83 -0.00 -1.99 -3.18 114.58 105.58 1n7r h GLU 822 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1n7r h GLU 822 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1n7r h GLU 822 CO 0.06 0.00 -0.03 0.25 -0.00 0.00 0.00 179.01 179.29 1n7r n THR 823 N -3.09 0.00 -3.74 -1.06 -2.24 -1.26 -4.83 114.28 98.05 1n7r n THR 823 Ca 0.00 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 1n7r n THR 823 Cb 0.30 0.98 -0.14 0.00 -2.10 0.00 0.00 70.33 69.37 1n7r n THR 823 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1n7r s LEU 824 N -2.01 0.61 -0.05 3.22 2.96 -1.20 -1.50 118.68 120.71 1n7r s LEU 824 Ca 0.00 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1n7r s LEU 824 Cb 0.00 0.44 0.03 0.00 0.50 0.00 0.00 46.19 47.16 1n7r s LEU 824 CO 0.00 -0.16 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.77 1n7r s GLN 825 N 1.25 0.49 -0.23 1.98 -0.21 -0.49 -1.29 119.66 121.16 1n7r s GLN 825 Ca -0.09 0.07 -0.24 0.00 0.02 0.00 0.00 55.36 55.13 1n7r s GLN 825 Cb -0.11 -0.72 0.06 0.00 1.00 0.00 0.00 33.01 33.24 1n7r s GLN 825 CO -0.07 -0.19 0.66 0.45 -2.12 0.00 0.00 175.29 174.03 1n7r s SER 826 N 1.38 -0.68 -0.01 5.90 0.15 0.11 -0.13 113.70 120.41 1n7r s SER 826 Ca -0.04 1.27 0.03 0.00 0.70 0.00 0.00 55.95 57.90 1n7r s SER 826 Cb -0.13 1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 65.45 1n7r s SER 826 CO -0.02 -0.26 -0.09 -0.69 1.20 0.00 0.00 173.24 173.37 1n7r s VAL 827 N 0.20 0.70 -0.07 4.45 1.01 -1.00 -0.41 120.40 125.29 1n7r s VAL 827 Ca -0.01 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1n7r s VAL 827 Cb -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1n7r s VAL 827 CO 0.02 0.20 -0.17 -0.47 0.00 0.00 0.00 175.10 174.68 1n7r s TYR 828 N -0.16 1.86 -0.53 5.22 5.04 -0.42 -1.76 117.35 126.60 1n7r s TYR 828 Ca 0.03 -0.65 -0.15 0.00 -2.44 0.00 0.00 57.07 53.86 1n7r s TYR 828 Cb -0.04 -1.28 0.13 0.00 0.35 0.00 0.00 41.96 41.12 1n7r s TYR 828 CO -0.00 -0.27 0.47 0.34 -1.34 0.00 0.00 175.55 174.75 1n7r s ASP 829 N 0.32 6.09 0.37 4.32 -1.08 -0.09 -4.44 116.67 122.16 1n7r s ASP 829 Ca -0.11 -1.81 0.18 0.00 -0.52 0.00 0.00 52.55 50.29 1n7r s ASP 829 Cb -0.15 -2.17 0.65 0.00 -1.46 0.00 0.00 42.92 39.79 1n7r s ASP 829 CO 0.04 -0.82 1.72 0.00 0.52 0.00 0.00 175.17 176.63 1n7r h ALA 830 N 8.80 0.98 -0.48 3.66 0.00 -1.91 0.43 119.26 130.75 1n7r h ALA 830 Ca -0.28 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 1n7r h ALA 830 Cb 1.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1n7r h ALA 830 CO 1.00 0.48 -0.12 -0.22 0.00 0.00 0.00 179.25 180.39 1n7r h LYS 831 N 0.00 0.92 0.00 0.00 3.64 -1.94 -3.08 116.57 116.10 1n7r h LYS 831 Ca -0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1n7r h LYS 831 Cb 0.92 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1n7r h LYS 831 CO 0.05 1.01 -0.98 1.04 -2.27 0.00 0.00 179.45 178.30 1n7r n GLN 832 N -4.22 0.41 -2.96 1.90 6.02 -1.07 -4.95 117.38 112.51 1n7r n GLN 832 Ca 0.00 0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 1n7r n GLN 832 Cb 0.40 -1.68 0.04 0.00 1.02 0.00 0.00 30.24 30.01 1n7r n GLN 832 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n7r n GLY 833 N 1.30 0.26 3.33 1.08 0.00 0.06 -4.80 105.19 106.42 1n7r n GLY 833 Ca 0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1n7r n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7r s VAL 834 N -3.15 2.18 -0.11 1.61 1.01 -0.71 -1.56 120.40 119.67 1n7r s VAL 834 Ca 0.24 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1n7r s VAL 834 Cb -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1n7r s VAL 834 CO 0.33 0.55 -0.17 0.26 0.00 0.00 0.00 175.10 176.06 1n7r s TRP 835 N -0.65 2.69 -0.07 5.22 0.51 0.36 -0.91 118.94 126.08 1n7r s TRP 835 Ca 0.10 -0.72 -0.07 0.00 -2.12 0.00 0.00 56.10 53.30 1n7r s TRP 835 Cb -0.10 -1.76 -0.04 0.00 -0.81 0.00 0.00 33.47 30.76 1n7r s TRP 835 CO -0.00 -0.23 0.18 0.20 -0.51 0.00 0.00 176.95 176.59 1n7r s GLY 836 N 0.19 2.20 -0.08 0.98 0.00 -0.72 -1.11 107.32 108.77 1n7r s GLY 836 Ca -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 1n7r s GLY 836 CO 0.06 -0.39 0.20 -0.42 0.00 0.00 0.00 173.10 172.55 1n7r s ILE 837 N -1.12 -0.03 -0.14 0.90 1.01 -0.09 -2.37 121.20 119.36 1n7r s ILE 837 Ca 0.19 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.98 1n7r s ILE 837 Cb -0.13 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.05 1n7r s ILE 837 CO 0.09 0.04 -0.21 -0.69 0.00 0.00 0.00 174.94 174.17 1n7r s VAL 838 N 0.87 1.98 -0.19 2.92 1.01 0.81 0.04 120.40 127.84 1n7r s VAL 838 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1n7r s VAL 838 Cb -0.08 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1n7r s VAL 838 CO -0.05 0.53 -0.08 -0.54 0.00 0.00 0.00 175.10 174.97 1n7r s LYS 839 N 0.85 3.36 0.04 2.72 1.02 0.18 -1.40 119.74 126.52 1n7r s LYS 839 Ca -0.07 -0.65 0.27 0.00 0.02 0.00 0.00 55.97 55.54 1n7r s LYS 839 Cb -0.15 -2.87 0.90 0.00 -0.52 0.00 0.00 37.83 35.19 1n7r s LYS 839 CO -0.02 -0.07 1.72 0.66 -0.92 0.00 0.00 175.35 176.72 1n7r n TYR 840 N 4.39 0.20 -4.26 3.18 4.02 -0.56 -0.85 117.16 123.28 1n7r n TYR 840 Ca -0.18 0.06 -0.18 0.00 -0.01 0.00 0.00 57.90 57.59 1n7r n TYR 840 Cb 0.51 -0.52 -0.08 0.00 -0.02 0.00 0.00 39.34 39.23 1n7r n TYR 840 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1n7r s ASP 841 N -3.36 1.35 -0.05 7.72 1.47 -1.26 -4.88 116.67 117.66 1n7r s ASP 841 Ca 0.12 -1.67 0.06 0.00 1.18 0.00 0.00 52.55 52.24 1n7r s ASP 841 Cb 0.17 0.53 0.27 0.00 -0.34 0.00 0.00 42.92 43.55 1n7r s ASP 841 CO 0.60 -1.03 1.05 0.47 0.68 0.00 0.00 175.17 176.94 1n7r n ASP 842 N -1.30 2.13 -4.53 2.11 10.43 -1.26 -2.76 116.55 121.37 1n7r n ASP 842 Ca 0.06 -2.19 -0.29 0.00 2.57 0.00 0.00 54.79 54.95 1n7r n ASP 842 Cb 0.63 -0.40 0.21 0.00 1.84 0.00 0.00 41.12 43.40 1n7r n ASP 842 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1n7r s SER 843 N -0.59 1.87 -0.39 -2.24 1.04 -1.26 -4.68 113.70 107.46 1n7r s SER 843 Ca 0.19 1.18 -0.20 0.00 0.48 0.00 0.00 55.95 57.60 1n7r s SER 843 Cb 0.12 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.41 1n7r s SER 843 CO 0.08 -3.60 0.61 -0.69 0.98 0.00 0.00 173.24 170.63 1n7r s VAL 844 N -2.83 4.89 -0.16 5.02 1.01 -1.26 -4.36 120.40 122.72 1n7r s VAL 844 Ca 0.67 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 1n7r s VAL 844 Cb -0.19 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1n7r s VAL 844 CO 0.59 -0.41 0.02 -0.44 0.00 0.00 0.00 175.10 174.86 1n7r s SER 845 N 1.87 5.27 -0.18 3.32 0.01 -0.85 -4.99 113.70 118.16 1n7r s SER 845 Ca 0.22 0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.42 1n7r s SER 845 Cb -0.15 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1n7r s SER 845 CO 0.16 0.21 0.11 -0.89 0.41 0.00 0.00 173.24 173.24 1n7r s THR 846 N 0.14 5.22 -0.12 1.44 2.01 -1.26 -0.73 115.64 122.34 1n7r s THR 846 Ca 0.02 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1n7r s THR 846 Cb -0.13 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1n7r s THR 846 CO 0.02 0.48 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.58 1n7r s ILE 847 N 0.14 1.91 -1.38 1.82 -1.09 -0.26 -4.73 121.20 117.61 1n7r s ILE 847 Ca 0.08 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.46 1n7r s ILE 847 Cb -0.11 -1.69 0.13 0.00 -1.58 0.00 0.00 42.46 39.20 1n7r s ILE 847 CO -0.01 0.52 0.54 -1.20 -1.23 0.00 0.00 174.94 173.56 1n7r n SER 848 N 3.97 -2.83 -1.08 3.58 7.64 -1.26 -1.58 113.62 122.06 1n7r n SER 848 Ca -0.20 -0.64 -0.10 0.00 1.01 0.00 0.00 58.87 58.94 1n7r n SER 848 Cb 0.52 -2.38 -0.04 0.00 -1.01 0.00 0.00 64.21 61.30 1n7r n SER 848 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1n7r n ASN 849 N -2.32 -3.29 -0.01 6.43 4.13 -1.26 -4.78 115.26 114.16 1n7r n ASN 849 Ca 0.04 0.24 -0.01 0.00 1.68 0.00 0.00 54.58 56.54 1n7r n ASN 849 Cb 0.50 -2.89 -0.01 0.00 -1.54 0.00 0.00 39.78 35.84 1n7r n ASN 849 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n7r n GLN 850 N -1.32 3.66 -3.85 3.52 6.02 -0.61 -4.96 117.38 119.84 1n7r n GLN 850 Ca -0.10 -0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.82 1n7r n GLN 850 Cb 0.38 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 30.59 1n7r n GLN 850 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1n7r s PHE 851 N -2.03 -0.15 -0.03 1.08 -0.12 -1.19 -2.60 117.98 112.94 1n7r s PHE 851 Ca -0.01 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 1n7r s PHE 851 Cb 0.00 0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 43.10 1n7r s PHE 851 CO 0.05 -1.23 -0.18 -0.65 -0.05 0.00 0.00 175.22 173.16 1n7r s GLN 852 N -3.70 1.60 0.06 1.99 -0.21 -0.19 -1.10 119.66 118.11 1n7r s GLN 852 Ca 0.12 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.90 1n7r s GLN 852 Cb -0.05 -1.48 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 1n7r s GLN 852 CO 0.07 0.34 -0.02 0.14 -2.12 0.00 0.00 175.29 173.70 1n7r s VAL 853 N -0.25 3.94 0.00 1.09 -7.23 0.09 -1.81 120.40 116.22 1n7r s VAL 853 Ca 0.03 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 1n7r s VAL 853 Cb -0.09 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1n7r s VAL 853 CO 0.00 0.22 0.00 0.18 -0.31 0.00 0.00 175.10 175.19 1n7r n LEU 854 N 0.92 0.00 -4.05 1.32 4.77 -0.58 -2.00 117.00 117.38 1n7r n LEU 854 Ca -0.13 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 1n7r n LEU 854 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1n7r n LEU 854 CO 0.36 0.00 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.44 1n7r s LYS 855 N -1.83 0.80 0.19 3.23 1.02 -1.26 -4.43 119.74 117.45 1n7r s LYS 855 Ca 0.00 -0.44 -0.32 0.00 0.02 0.00 0.00 55.97 55.23 1n7r s LYS 855 Cb 0.00 -0.76 -0.15 0.00 -0.52 0.00 0.00 37.83 36.39 1n7r s LYS 855 CO 0.00 0.20 1.19 -2.13 -0.92 0.00 0.00 175.35 173.69 1n7r n ARG 856 N 2.61 1.31 -0.97 1.68 0.63 -1.11 -4.75 116.66 116.06 1n7r n ARG 856 Ca -0.15 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1n7r n ARG 856 Cb 0.56 -1.98 0.00 0.00 0.45 0.00 0.00 32.46 31.49 1n7r n ARG 856 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n7r n GLY 857 N 1.98 0.36 3.07 5.14 0.00 -0.03 -4.84 105.19 110.87 1n7r n GLY 857 Ca 0.14 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1n7r n GLY 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7r s VAL 858 N -2.10 1.41 0.00 1.61 1.01 -0.76 -0.64 120.40 120.93 1n7r s VAL 858 Ca 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1n7r s VAL 858 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1n7r s VAL 858 CO 0.00 0.42 -0.15 -0.31 0.00 0.00 0.00 175.10 175.06 1n7r s TYR 859 N 0.72 1.30 -0.07 5.22 1.51 0.11 -0.98 117.35 125.16 1n7r s TYR 859 Ca -0.13 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1n7r s TYR 859 Cb -0.16 -0.82 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 1n7r s TYR 859 CO 0.03 -0.00 -0.06 0.99 -1.11 0.00 0.00 175.55 175.40 1n7r s THR 860 N -0.49 0.74 -0.04 -0.71 2.01 -0.28 -0.91 115.64 115.96 1n7r s THR 860 Ca 0.05 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1n7r s THR 860 Cb -0.06 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1n7r s THR 860 CO 0.00 0.29 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.54 1n7r s ILE 861 N 1.21 0.56 -0.04 1.82 1.01 -0.27 0.15 121.20 125.64 1n7r s ILE 861 Ca -0.06 -0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1n7r s ILE 861 Cb -0.14 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1n7r s ILE 861 CO -0.02 0.21 -0.23 -0.60 0.00 0.00 0.00 174.94 174.31 1n7r s ARG 862 N 0.66 2.40 -0.29 2.79 3.52 -0.64 -0.49 118.95 126.90 1n7r s ARG 862 Ca -0.09 -0.86 -0.17 0.00 -0.13 0.00 0.00 55.73 54.48 1n7r s ARG 862 Cb -0.12 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 1n7r s ARG 862 CO 0.00 0.50 0.46 0.21 -0.81 0.00 0.00 175.30 175.66 1n7r s LYS 863 N -0.44 3.93 -0.52 5.12 2.20 -0.60 -1.20 119.74 128.22 1n7r s LYS 863 Ca 0.05 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1n7r s LYS 863 Cb -0.12 -3.69 0.14 0.00 -1.51 0.00 0.00 37.83 32.65 1n7r s LYS 863 CO 0.01 -0.40 0.32 -1.21 -0.36 0.00 0.00 175.35 173.72 1n7r s GLU 864 N 2.23 2.28 7.26 4.03 2.02 0.14 -4.87 118.70 131.78 1n7r s GLU 864 Ca 0.18 -2.22 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1n7r s GLU 864 Cb -0.16 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1n7r s GLU 864 CO 0.10 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.67 1n7r n GLY 865 N 3.96 2.64 0.06 -1.39 0.00 -1.26 -2.08 105.19 107.12 1n7r n GLY 865 Ca 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1n7r n GLY 865 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n7r n ASP 866 N 9.74 0.88 -4.86 1.61 10.43 -1.26 -5.00 116.55 128.09 1n7r n ASP 866 Ca 0.00 -0.73 -0.21 0.00 2.57 0.00 0.00 54.79 56.42 1n7r n ASP 866 Cb 0.00 0.58 -0.03 0.00 1.84 0.00 0.00 41.12 43.51 1n7r n ASP 866 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1n7r s GLU 867 N -2.92 2.72 -0.08 -1.24 0.41 -0.88 -5.13 118.70 111.58 1n7r s GLU 867 Ca 0.11 -1.30 0.03 0.00 -0.41 0.00 0.00 54.97 53.40 1n7r s GLU 867 Cb 0.17 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 1n7r s GLU 867 CO 0.75 0.07 -0.19 0.71 -0.49 0.00 0.00 175.26 176.10 1n7r s TYR 868 N -2.32 2.11 -0.13 1.61 2.02 -1.26 0.26 117.35 119.65 1n7r s TYR 868 Ca 0.42 -0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1n7r s TYR 868 Cb -0.06 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1n7r s TYR 868 CO 0.27 -0.35 0.22 0.15 -1.57 0.00 0.00 175.55 174.27 1n7r s LYS 869 N 0.43 3.92 -0.10 -0.62 1.02 -0.34 -4.97 119.74 119.08 1n7r s LYS 869 Ca -0.16 -0.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1n7r s LYS 869 Cb -0.17 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1n7r s LYS 869 CO 0.07 0.50 -0.07 0.42 -0.92 0.00 0.00 175.35 175.34 1n7r s ILE 870 N -0.28 0.97 -0.31 2.17 1.01 -1.26 -1.62 121.20 121.87 1n7r s ILE 870 Ca 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 1n7r s ILE 870 Cb -0.13 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.43 1n7r s ILE 870 CO 0.04 0.35 0.02 0.00 0.00 0.00 0.00 174.94 175.35 1n7r s ALA 871 N 1.56 2.83 -0.09 9.38 0.00 0.12 -5.02 121.76 130.54 1n7r s ALA 871 Ca 0.02 -2.00 0.01 0.00 0.00 0.00 0.00 51.96 49.99 1n7r s ALA 871 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 1n7r s ALA 871 CO -0.06 -1.40 -0.12 -0.47 0.00 0.00 0.00 175.76 173.71 1n7r s TYR 872 N 1.15 2.80 -0.05 0.00 5.04 -1.26 -1.12 117.35 123.90 1n7r s TYR 872 Ca -0.02 -0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 1n7r s TYR 872 Cb -0.20 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.40 1n7r s TYR 872 CO -0.03 0.07 -0.01 -0.47 -1.34 0.00 0.00 175.55 173.76 1n7r s TYR 873 N -0.32 0.63 -0.52 4.97 5.04 -0.16 -4.35 117.35 122.66 1n7r s TYR 873 Ca 0.03 -0.15 -0.17 0.00 -2.44 0.00 0.00 57.07 54.34 1n7r s TYR 873 Cb -0.13 -0.68 0.09 0.00 0.35 0.00 0.00 41.96 41.59 1n7r s TYR 873 CO 0.03 -0.25 0.51 1.21 -1.34 0.00 0.00 175.55 175.71 1n7r s ASN 874 N 1.43 6.18 0.43 4.32 3.04 0.61 -1.83 114.94 129.12 1n7r s ASN 874 Ca -0.03 -1.39 0.17 0.00 0.04 0.00 0.00 52.86 51.65 1n7r s ASN 874 Cb -0.13 -2.23 0.97 0.00 -1.54 0.00 0.00 41.25 38.31 1n7r s ASN 874 CO -0.03 -0.82 1.92 -0.65 -3.04 0.00 0.00 177.10 174.48 1n7r h PRO 875 N 8.90 0.00 -0.22 0.43 0.11 -1.87 0.17 132.00 139.52 1n7r h PRO 875 Ca -0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 1n7r h PRO 875 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n7r h PRO 875 CO 0.97 0.26 -0.50 0.93 -0.21 0.00 0.00 178.00 179.45 1n7r h GLU 876 N 0.00 0.73 0.00 1.05 5.08 -1.88 -3.27 114.58 116.29 1n7r h GLU 876 Ca -0.00 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1n7r h GLU 876 Cb 0.51 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1n7r h GLU 876 CO 0.03 1.11 -1.35 0.25 -1.00 0.00 0.00 179.01 178.05 1n7r n THR 877 N -4.13 0.79 -2.58 1.13 -2.24 -1.23 -5.00 114.28 101.02 1n7r n THR 877 Ca -0.06 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 1n7r n THR 877 Cb 0.60 -0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1n7r n THR 877 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n7r n GLN 878 N -2.71 -2.66 -3.91 -0.78 6.02 0.54 -5.04 117.38 108.84 1n7r n GLN 878 Ca -0.06 0.34 -0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1n7r n GLN 878 Cb 0.69 -3.84 -0.14 0.00 1.02 0.00 0.00 30.24 27.97 1n7r n GLN 878 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1n7r s GLU 879 N -4.58 0.09 0.00 -1.09 2.02 -0.86 -4.99 118.70 109.30 1n7r s GLU 879 Ca 0.01 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1n7r s GLU 879 Cb -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.20 1n7r s GLU 879 CO 0.29 0.00 0.00 0.45 0.02 0.00 0.00 175.26 176.02 1n7r n SER 880 N 2.85 -0.00 -3.57 -0.19 2.88 -1.26 -0.28 113.62 114.05 1n7r n SER 880 Ca -0.14 -0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.28 1n7r n SER 880 Cb 0.59 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1n7r n SER 880 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n7r s ALA 881 N -3.81 -1.89 0.14 -1.46 0.00 -1.26 -4.76 121.76 108.73 1n7r s ALA 881 Ca 0.00 1.54 -0.33 0.00 0.00 0.00 0.00 51.96 53.17 1n7r s ALA 881 Cb 0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 23.12 22.39 1n7r s ALA 881 CO 0.00 -0.32 0.97 -2.30 0.00 0.00 0.00 175.76 174.11 1n7r n PRO 882 N 0.83 0.60 -0.31 0.00 -0.01 -1.26 -4.89 135.00 129.97 1n7r n PRO 882 Ca -0.12 0.21 0.14 0.00 -0.01 0.00 0.00 63.50 63.72 1n7r n PRO 882 Cb 0.58 -1.58 0.32 0.00 -0.01 0.00 0.00 33.50 32.80 1n7r n PRO 882 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 1n7r h ASP 883 N 2.61 0.31 1.13 2.55 3.32 -1.98 -2.81 116.42 121.55 1n7r h ASP 883 Ca -0.41 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1n7r h ASP 883 Cb 1.39 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1n7r h ASP 883 CO 0.65 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1n7r n GLN 884 N -5.06 0.24 0.14 3.56 0.00 -1.26 -1.47 117.38 113.53 1n7r n GLN 884 Ca 0.23 0.33 0.01 0.00 0.00 0.00 0.00 57.00 57.57 1n7r n GLN 884 Cb 0.68 -1.86 0.15 0.00 0.00 0.00 0.00 30.24 29.21 1n7r n GLN 884 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1n7r h GLU 885 N 0.00 0.00 0.00 2.61 5.08 -1.86 -3.39 114.58 117.02 1n7r h GLU 885 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n7r h GLU 885 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1n7r h GLU 885 CO 0.00 0.56 -0.46 1.33 -1.00 0.00 0.00 179.01 179.44 1n7r n VAL 886 N -3.47 0.00 -3.88 3.13 0.24 -0.97 -4.57 118.33 108.81 1n7r n VAL 886 Ca 0.00 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 1n7r n VAL 886 Cb 0.66 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.67 1n7r n VAL 886 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1n7r s PHE 887 N -1.45 0.01 -0.15 6.34 5.36 -0.54 -1.52 117.98 126.02 1n7r s PHE 887 Ca 0.00 -0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 1n7r s PHE 887 Cb 0.00 -0.03 0.07 0.00 -0.34 0.00 0.00 43.02 42.72 1n7r s PHE 887 CO 0.00 -0.10 0.29 0.21 -1.46 0.00 0.00 175.22 174.17 1n7r s LYS 888 N -0.46 0.19 0.52 10.12 2.20 -0.75 -4.46 119.74 127.10 1n7r s LYS 888 Ca -0.05 0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 56.12 1n7r s LYS 888 Cb -0.03 -0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.22 1n7r s LYS 888 CO 0.00 -0.30 1.28 0.15 -0.36 0.00 0.00 175.35 176.12 1n7r s LYS 889 N 2.46 3.32 0.00 4.03 3.01 -1.26 -1.02 119.74 130.28 1n7r s LYS 889 Ca 0.01 2.04 0.21 0.00 -1.01 0.00 0.00 55.97 57.22 1n7r s LYS 889 Cb -0.12 -2.27 1.24 0.00 -1.01 0.00 0.00 37.83 35.67 1n7r s LYS 889 CO -0.10 -0.98 1.62 1.47 0.51 0.00 0.00 175.35 177.87