#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwh n GLN 202 N 0.00 2.77 -3.56 5.55 -0.00 -1.26 -4.93 117.38 115.95 1iwh n GLN 202 Ca 0.00 -1.97 -0.37 0.00 -0.00 0.00 0.00 57.00 54.65 1iwh n GLN 202 Cb 0.00 -2.78 -0.06 0.00 -0.00 0.00 0.00 30.24 27.40 1iwh n GLN 202 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1iwh s LEU 203 N 0.59 4.35 0.96 2.61 2.96 -1.26 -5.10 118.68 123.79 1iwh s LEU 203 Ca 0.55 0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.02 1iwh s LEU 203 Cb 0.14 -2.42 0.17 0.00 0.50 0.00 0.00 46.19 44.58 1iwh s LEU 203 CO -0.03 0.22 1.09 -0.94 -1.32 0.00 0.00 176.35 175.37 1iwh s SER 204 N -0.30 2.94 0.21 3.68 1.04 -1.26 -4.78 113.70 115.24 1iwh s SER 204 Ca 0.19 1.33 -0.10 0.00 0.48 0.00 0.00 55.95 57.86 1iwh s SER 204 Cb -0.14 -2.00 0.17 0.00 0.10 0.00 0.00 66.02 64.14 1iwh s SER 204 CO 0.08 -2.95 1.88 1.23 0.98 0.00 0.00 173.24 174.46 1iwh h GLY 205 N -1.77 1.10 2.00 7.32 0.00 -1.99 0.32 103.07 110.06 1iwh h GLY 205 Ca -0.52 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.30 1iwh h GLY 205 CO 0.56 0.41 -0.43 0.83 0.00 0.00 0.00 176.54 177.91 1iwh h GLU 206 N 1.06 0.00 -0.14 4.80 5.08 -2.01 -2.35 114.58 121.03 1iwh h GLU 206 Ca 0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1iwh h GLU 206 Cb -0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1iwh h GLU 206 CO -0.06 0.43 -0.10 0.93 -1.00 0.00 0.00 179.01 179.21 1iwh h GLU 207 N 0.00 0.32 -0.55 2.33 5.08 -1.85 -2.99 114.58 116.92 1iwh h GLU 207 Ca -0.00 -0.15 0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1iwh h GLU 207 Cb 0.80 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1iwh h GLU 207 CO 0.06 0.68 -0.10 0.87 -1.00 0.00 0.00 179.01 179.51 1iwh h LYS 208 N -0.03 0.03 -0.88 2.33 1.57 -0.75 -0.70 116.57 118.13 1iwh h LYS 208 Ca 0.03 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1iwh h LYS 208 Cb 0.60 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1iwh h LYS 208 CO 0.03 0.02 0.58 0.00 -0.57 0.00 0.00 179.45 179.50 1iwh h ALA 209 N 1.54 1.45 -0.16 3.86 0.00 -1.43 0.17 119.26 124.68 1iwh h ALA 209 Ca 0.27 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1iwh h ALA 209 Cb 0.42 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iwh h ALA 209 CO -0.54 0.47 -0.66 0.00 0.00 0.00 0.00 179.25 178.52 1iwh h ALA 210 N 1.48 0.55 -0.40 0.00 0.00 -1.21 -0.21 119.26 119.48 1iwh h ALA 210 Ca 0.35 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1iwh h ALA 210 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1iwh h ALA 210 CO -0.10 0.71 0.25 0.28 0.00 0.00 0.00 179.25 180.38 1iwh h VAL 211 N 0.44 1.06 -0.53 0.00 2.07 -0.61 -1.60 116.25 117.08 1iwh h VAL 211 Ca -0.02 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1iwh h VAL 211 Cb 1.24 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1iwh h VAL 211 CO 0.13 0.09 -0.08 -0.07 0.02 0.00 0.00 177.57 177.66 1iwh h LEU 212 N 0.50 0.97 -1.19 2.57 4.07 -0.82 -2.50 115.31 118.91 1iwh h LEU 212 Ca 0.16 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1iwh h LEU 212 Cb -0.02 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.43 1iwh h LEU 212 CO -0.06 1.06 0.38 0.00 -1.08 0.00 0.00 178.44 178.75 1iwh h ALA 213 N 1.02 1.39 -0.42 1.53 0.00 -0.78 -1.83 119.26 120.17 1iwh h ALA 213 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1iwh h ALA 213 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iwh h ALA 213 CO 0.04 0.51 -0.25 1.25 0.00 0.00 0.00 179.25 180.80 1iwh h LEU 214 N 0.95 0.90 -1.89 0.00 5.85 -0.93 -2.93 115.31 117.27 1iwh h LEU 214 Ca 0.24 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1iwh h LEU 214 Cb 0.01 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1iwh h LEU 214 CO -0.04 1.10 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.78 1iwh h TRP 215 N 0.75 0.00 -0.04 1.25 2.91 -0.93 0.03 115.95 119.92 1iwh h TRP 215 Ca 0.10 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.13 1iwh h TRP 215 Cb 0.80 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1iwh h TRP 215 CO 0.05 0.13 0.14 -0.44 -1.03 0.00 0.00 178.44 177.29 1iwh h ASP 216 N 0.00 0.00 -0.02 2.65 3.32 -1.20 -1.68 116.42 119.49 1iwh h ASP 216 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iwh h ASP 216 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1iwh h ASP 216 CO 0.02 0.00 -0.09 0.29 -1.72 0.00 0.00 179.24 177.74 1iwh n LYS 217 N -3.24 1.55 -2.89 3.56 5.02 -0.01 -4.93 118.16 117.21 1iwh n LYS 217 Ca -0.02 -1.39 -0.42 0.00 -2.02 0.00 0.00 58.31 54.46 1iwh n LYS 217 Cb 0.22 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1iwh n LYS 217 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iwh s VAL 218 N -1.64 4.79 -0.70 -0.18 1.01 -0.63 -5.00 120.40 118.05 1iwh s VAL 218 Ca 0.19 1.41 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1iwh s VAL 218 Cb 0.15 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1iwh s VAL 218 CO 0.28 -0.19 1.39 0.21 0.00 0.00 0.00 175.10 176.79 1iwh s ASN 219 N 1.49 6.01 0.46 3.32 3.84 -1.26 -4.90 114.94 123.90 1iwh s ASN 219 Ca 0.35 -0.26 0.17 0.00 0.21 0.00 0.00 52.86 53.33 1iwh s ASN 219 Cb -0.14 -2.55 1.10 0.00 -0.55 0.00 0.00 41.25 39.10 1iwh s ASN 219 CO 0.10 -1.92 2.01 -0.33 -2.79 0.00 0.00 177.10 174.18 1iwh h GLU 220 N 10.93 0.00 -0.03 0.43 5.08 -1.94 0.65 114.58 129.71 1iwh h GLU 220 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1iwh h GLU 220 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1iwh h GLU 220 CO 1.26 0.17 -0.03 1.49 -1.00 0.00 0.00 179.01 180.89 1iwh h GLU 221 N 0.00 0.07 -0.01 2.33 4.81 -1.90 0.03 114.58 119.91 1iwh h GLU 221 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1iwh h GLU 221 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1iwh h GLU 221 CO 0.02 0.56 -0.02 1.49 -0.73 0.00 0.00 179.01 180.33 1iwh h GLU 222 N -0.41 0.04 -0.61 1.92 4.81 -1.87 -0.95 114.58 117.51 1iwh h GLU 222 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1iwh h GLU 222 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1iwh h GLU 222 CO 0.01 0.60 0.04 0.28 -0.73 0.00 0.00 179.01 179.21 1iwh h VAL 223 N -0.53 1.26 -0.21 0.32 2.07 -1.00 -2.28 116.25 115.89 1iwh h VAL 223 Ca 0.00 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1iwh h VAL 223 Cb 0.60 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1iwh h VAL 223 CO 0.01 0.40 -0.14 1.23 0.02 0.00 0.00 177.57 179.09 1iwh h GLY 224 N 0.95 0.51 0.60 2.17 0.00 -1.01 0.76 103.07 107.03 1iwh h GLY 224 Ca 0.18 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.09 1iwh h GLY 224 CO 0.02 0.43 0.30 -1.33 0.00 0.00 0.00 176.54 175.97 1iwh h GLY 225 N 0.16 0.88 0.91 4.60 0.00 -1.16 -1.06 103.07 107.40 1iwh h GLY 225 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1iwh h GLY 225 CO 0.04 0.09 0.04 -2.09 0.00 0.00 0.00 176.54 174.62 1iwh h GLU 226 N 0.56 0.59 -0.37 4.80 4.81 -1.21 -1.05 114.58 122.70 1iwh h GLU 226 Ca 0.29 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1iwh h GLU 226 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1iwh h GLU 226 CO -0.21 0.68 0.11 0.00 -0.73 0.00 0.00 179.01 178.85 1iwh h ALA 227 N 0.89 0.48 -0.47 2.92 0.00 -0.51 0.34 119.26 122.90 1iwh h ALA 227 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1iwh h ALA 227 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1iwh h ALA 227 CO 0.01 0.13 -0.23 1.25 0.00 0.00 0.00 179.25 180.41 1iwh h LEU 228 N 0.44 1.02 -0.83 0.00 5.85 -1.18 -0.31 115.31 120.31 1iwh h LEU 228 Ca 0.12 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1iwh h LEU 228 Cb 0.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1iwh h LEU 228 CO -0.00 1.20 0.42 1.23 -0.34 0.00 0.00 178.44 180.95 1iwh h GLY 229 N 0.86 1.25 1.23 3.75 0.00 -0.97 -2.03 103.07 107.17 1iwh h GLY 229 Ca 0.11 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1iwh h GLY 229 CO 0.07 0.57 0.19 3.21 0.00 0.00 0.00 176.54 180.58 1iwh h ARG 230 N 1.16 0.97 -0.64 4.80 3.08 -0.62 -0.78 114.38 122.34 1iwh h ARG 230 Ca 0.29 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1iwh h ARG 230 Cb 0.08 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 1iwh h ARG 230 CO -0.04 0.83 0.30 1.25 -1.07 0.00 0.00 179.97 181.24 1iwh h LEU 231 N 0.93 0.37 -0.73 3.04 5.85 -0.43 0.88 115.31 125.23 1iwh h LEU 231 Ca 0.21 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 1iwh h LEU 231 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1iwh h LEU 231 CO -0.01 0.22 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.65 1iwh h LEU 232 N 0.53 0.15 0.07 2.25 3.38 -0.67 -0.60 115.31 120.41 1iwh h LEU 232 Ca 0.31 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1iwh h LEU 232 Cb 0.33 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1iwh h LEU 232 CO -0.26 0.71 -0.46 0.58 0.09 0.00 0.00 178.44 179.10 1iwh h VAL 233 N 0.10 1.61 0.02 1.22 2.07 -0.91 -3.31 116.25 117.05 1iwh h VAL 233 Ca -0.01 -2.39 -0.21 0.00 0.82 0.00 0.00 66.70 64.91 1iwh h VAL 233 Cb 1.08 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 34.02 1iwh h VAL 233 CO 0.09 0.66 -1.00 0.58 0.02 0.00 0.00 177.57 177.91 1iwh h VAL 234 N -0.59 1.66 -2.34 2.57 2.07 -0.84 -3.37 116.25 115.40 1iwh h VAL 234 Ca -0.08 -3.25 -0.59 0.00 0.82 0.00 0.00 66.70 63.61 1iwh h VAL 234 Cb 1.34 2.79 -0.41 0.00 -1.52 0.00 0.00 31.29 33.49 1iwh h VAL 234 CO 0.09 0.93 -0.78 -1.22 0.02 0.00 0.00 177.57 176.61 1iwh n TYR 235 N -3.42 1.91 0.28 1.57 4.01 -0.24 -4.99 117.16 116.28 1iwh n TYR 235 Ca -0.01 -3.92 0.15 0.00 -0.16 0.00 0.00 57.90 53.96 1iwh n TYR 235 Cb 0.92 -0.41 0.73 0.00 -0.31 0.00 0.00 39.34 40.28 1iwh n TYR 235 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1iwh h PRO 236 N 4.56 0.00 0.00 -0.72 0.11 -1.74 0.52 132.00 134.73 1iwh h PRO 236 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1iwh h PRO 236 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1iwh h PRO 236 CO 0.65 0.00 -0.00 0.11 -0.21 0.00 0.00 178.00 178.55 1iwh h TRP 237 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.21 115.95 113.57 1iwh h TRP 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1iwh h TRP 237 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 1iwh h TRP 237 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1iwh h THR 238 N 0.00 0.00 0.00 0.12 1.35 -1.20 -2.03 112.91 111.15 1iwh h THR 238 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1iwh h THR 238 Cb 0.20 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1iwh h THR 238 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1iwh h GLN 239 N 0.00 0.00 -0.65 4.72 4.20 -1.42 -2.39 115.11 119.56 1iwh h GLN 239 Ca 0.00 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.89 1iwh h GLN 239 Cb 0.31 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1iwh h GLN 239 CO 0.00 0.00 0.47 -0.09 -0.67 0.00 0.00 178.83 178.54 1iwh h ARG 240 N 0.00 0.03 -0.01 1.46 2.43 -1.56 -1.02 114.38 115.71 1iwh h ARG 240 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iwh h ARG 240 Cb 0.14 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1iwh h ARG 240 CO 0.00 0.02 -0.11 1.19 -1.51 0.00 0.00 179.97 179.56 1iwh n PHE 241 N -4.35 0.00 -2.19 2.20 3.72 -0.90 -4.26 117.46 111.67 1iwh n PHE 241 Ca 0.13 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.47 1iwh n PHE 241 Cb 0.71 -0.06 0.07 0.00 -0.94 0.00 0.00 39.48 39.26 1iwh n PHE 241 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1iwh n PHE 242 N -0.24 1.23 0.09 1.38 3.72 -0.39 -4.83 117.46 118.43 1iwh n PHE 242 Ca 0.16 -1.72 0.06 0.00 -0.05 0.00 0.00 57.45 55.90 1iwh n PHE 242 Cb 0.34 -0.26 0.51 0.00 -0.94 0.00 0.00 39.48 39.14 1iwh n PHE 242 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1iwh h ASP 243 N 1.78 0.29 0.35 4.37 3.45 -1.74 -1.30 116.42 123.62 1iwh h ASP 243 Ca 0.05 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1iwh h ASP 243 Cb 1.40 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 1iwh h ASP 243 CO 0.32 0.21 0.00 -1.54 -1.57 0.00 0.00 179.24 176.65 1iwh n SER 244 N -4.50 0.00 -0.12 6.45 3.41 -1.26 -3.34 113.62 114.26 1iwh n SER 244 Ca 0.01 -0.16 0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1iwh n SER 244 Cb 0.10 -0.23 0.65 0.00 -0.26 0.00 0.00 64.21 64.46 1iwh n SER 244 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1iwh n PHE 245 N -1.23 0.00 -2.12 7.33 3.01 -0.49 -5.02 117.46 118.93 1iwh n PHE 245 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1iwh n PHE 245 Cb 0.16 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1iwh n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iwh n GLY 246 N 1.24 0.36 3.63 1.37 0.00 -1.21 -4.82 105.19 105.76 1iwh n GLY 246 Ca 0.16 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1iwh n GLY 246 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iwh s ASP 247 N -4.00 6.38 -0.14 1.61 2.15 -1.26 -4.81 116.67 116.61 1iwh s ASP 247 Ca 0.00 1.62 0.15 0.00 0.43 0.00 0.00 52.55 54.75 1iwh s ASP 247 Cb 0.00 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.45 1iwh s ASP 247 CO 0.00 -1.25 1.18 0.18 -0.17 0.00 0.00 175.17 175.11 1iwh n LEU 248 N 8.43 2.08 0.04 -1.34 4.77 -1.26 -4.19 117.00 125.52 1iwh n LEU 248 Ca 0.19 -3.13 0.13 0.00 -0.03 0.00 0.00 56.01 53.16 1iwh n LEU 248 Cb 0.45 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.61 1iwh n LEU 248 CO 0.65 1.00 0.76 -1.54 -1.33 0.00 0.00 177.39 176.92 1iwh n SER 249 N -0.77 0.40 -3.83 -1.43 3.41 -1.26 -4.72 113.62 105.42 1iwh n SER 249 Ca 0.14 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1iwh n SER 249 Cb 0.77 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1iwh n SER 249 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwh s ASN 250 N -3.57 -0.19 0.25 4.04 4.22 -1.26 -5.05 114.94 113.38 1iwh s ASN 250 Ca 0.11 -0.64 -0.06 0.00 -2.14 0.00 0.00 52.86 50.14 1iwh s ASN 250 Cb 0.16 0.59 0.29 0.00 1.28 0.00 0.00 41.25 43.56 1iwh s ASN 250 CO 0.61 -1.10 1.90 -0.65 -2.04 0.00 0.00 177.10 175.82 1iwh h PRO 251 N 2.22 1.18 -0.87 3.55 0.11 -1.97 -1.65 132.00 134.57 1iwh h PRO 251 Ca -0.27 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1iwh h PRO 251 Cb 1.25 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1iwh h PRO 251 CO 0.36 0.78 0.55 0.78 -0.21 0.00 0.00 178.00 180.26 1iwh h GLY 252 N 1.21 1.24 0.94 -0.55 0.00 -1.99 -0.87 103.07 103.05 1iwh h GLY 252 Ca 0.37 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1iwh h GLY 252 CO -0.11 0.47 0.01 0.00 0.00 0.00 0.00 176.54 176.92 1iwh h ALA 253 N 1.30 0.53 0.26 3.60 0.00 -1.74 0.09 119.26 123.30 1iwh h ALA 253 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iwh h ALA 253 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1iwh h ALA 253 CO -0.06 0.29 -0.13 0.28 0.00 0.00 0.00 179.25 179.63 1iwh h VAL 254 N 0.51 0.75 0.00 0.00 2.07 -1.07 -1.47 116.25 117.05 1iwh h VAL 254 Ca 0.11 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1iwh h VAL 254 Cb 0.45 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1iwh h VAL 254 CO 0.02 0.02 -0.27 0.24 0.02 0.00 0.00 177.57 177.59 1iwh h MET 255 N -0.39 0.00 -0.01 1.57 2.86 -1.13 -2.66 114.93 115.17 1iwh h MET 255 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1iwh h MET 255 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1iwh h MET 255 CO 0.06 0.27 -0.18 0.41 1.06 0.00 0.00 176.91 178.54 1iwh n GLY 256 N -0.72 -0.31 3.62 8.32 0.00 0.01 -4.88 105.19 111.24 1iwh n GLY 256 Ca -0.02 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1iwh n GLY 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1iwh s ASN 257 N -2.31 6.04 0.36 1.61 3.84 -0.56 -4.92 114.94 118.99 1iwh s ASN 257 Ca 0.29 1.95 0.06 0.00 0.21 0.00 0.00 52.86 55.37 1iwh s ASN 257 Cb 0.20 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 39.12 1iwh s ASN 257 CO 0.45 -1.48 1.95 -0.65 -2.79 0.00 0.00 177.10 174.58 1iwh h PRO 258 N 12.35 0.73 -0.26 0.43 0.11 -1.90 -1.23 132.00 142.23 1iwh h PRO 258 Ca -0.40 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 1iwh h PRO 258 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1iwh h PRO 258 CO 0.97 0.48 -0.32 0.87 -0.21 0.00 0.00 178.00 179.80 1iwh h LYS 259 N 0.75 0.55 -0.47 1.05 1.57 -1.91 0.03 116.57 118.14 1iwh h LYS 259 Ca 0.33 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1iwh h LYS 259 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1iwh h LYS 259 CO -0.11 0.80 -0.02 0.28 -0.57 0.00 0.00 179.45 179.83 1iwh h VAL 260 N 0.47 1.26 -0.27 0.50 2.07 -1.56 -0.20 116.25 118.53 1iwh h VAL 260 Ca 0.06 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 1iwh h VAL 260 Cb 0.79 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1iwh h VAL 260 CO 0.06 0.38 0.03 0.11 0.02 0.00 0.00 177.57 178.18 1iwh h LYS 261 N 0.70 0.44 -0.49 1.57 1.57 -1.23 0.38 116.57 119.52 1iwh h LYS 261 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1iwh h LYS 261 Cb 0.53 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1iwh h LYS 261 CO 0.03 0.57 0.20 0.00 -0.57 0.00 0.00 179.45 179.68 1iwh h ALA 262 N 0.85 0.63 -0.46 3.86 0.00 -0.88 -1.58 119.26 121.69 1iwh h ALA 262 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1iwh h ALA 262 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1iwh h ALA 262 CO 0.01 0.23 -0.02 1.25 0.00 0.00 0.00 179.25 180.72 1iwh h HIS 263 N 0.65 0.91 -0.78 0.00 -0.00 -0.92 -2.77 115.15 112.24 1iwh h HIS 263 Ca 0.16 -0.17 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1iwh h HIS 263 Cb 0.18 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.31 1iwh h HIS 263 CO 0.00 0.88 0.51 0.78 -0.00 0.00 0.00 177.93 180.10 1iwh h GLY 264 N 0.67 1.07 0.64 5.26 0.00 0.13 -0.44 103.07 110.40 1iwh h GLY 264 Ca 0.13 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1iwh h GLY 264 CO 0.03 0.26 0.23 1.70 0.00 0.00 0.00 176.54 178.75 1iwh h LYS 265 N 0.85 0.43 -0.66 4.80 3.64 -1.04 0.62 116.57 125.21 1iwh h LYS 265 Ca 0.33 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1iwh h LYS 265 Cb 0.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1iwh h LYS 265 CO -0.11 0.28 0.22 0.87 -2.27 0.00 0.00 179.45 178.44 1iwh h LYS 266 N 0.44 1.03 -0.17 1.90 1.57 -0.87 -0.06 116.57 120.41 1iwh h LYS 266 Ca 0.23 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1iwh h LYS 266 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1iwh h LYS 266 CO -0.19 0.89 0.06 0.28 -0.57 0.00 0.00 179.45 179.92 1iwh h VAL 267 N 0.96 0.97 -0.13 0.50 2.07 -0.76 -2.08 116.25 117.77 1iwh h VAL 267 Ca 0.22 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1iwh h VAL 267 Cb 0.28 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1iwh h VAL 267 CO -0.01 0.03 -0.23 -0.07 0.02 0.00 0.00 177.57 177.31 1iwh h LEU 268 N 0.15 0.22 -1.24 2.57 -0.00 -0.53 -1.48 115.31 114.99 1iwh h LEU 268 Ca 0.07 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1iwh h LEU 268 Cb 0.04 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.60 1iwh h LEU 268 CO -0.07 0.46 0.44 -0.74 -0.00 0.00 0.00 178.44 178.53 1iwh h HIS 269 N 0.21 0.92 -0.00 1.13 2.76 -0.65 0.06 115.15 119.57 1iwh h HIS 269 Ca 0.03 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.02 1iwh h HIS 269 Cb 0.53 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 1iwh h HIS 269 CO 0.01 0.60 -0.86 0.66 -1.30 0.00 0.00 177.93 177.04 1iwh h SER 270 N 0.97 0.25 -0.95 3.26 4.64 -0.67 -1.18 113.55 119.88 1iwh h SER 270 Ca 0.26 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1iwh h SER 270 Cb -0.06 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1iwh h SER 270 CO -0.05 1.00 0.63 -0.26 -0.87 0.00 0.00 176.83 177.28 1iwh h PHE 271 N 0.11 1.19 -0.74 4.77 0.04 -0.71 -1.97 116.94 119.64 1iwh h PHE 271 Ca -0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1iwh h PHE 271 Cb 1.49 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 39.20 1iwh h PHE 271 CO 0.03 0.75 0.38 0.78 -0.60 0.00 0.00 178.31 179.64 1iwh h GLY 272 N 1.28 1.11 1.24 -1.45 0.00 -0.70 -0.47 103.07 104.08 1iwh h GLY 272 Ca 0.35 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1iwh h GLY 272 CO -0.08 0.49 0.45 0.83 0.00 0.00 0.00 176.54 178.24 1iwh h GLU 273 N 1.04 1.01 -0.35 4.80 4.39 -0.57 -1.90 114.58 123.00 1iwh h GLU 273 Ca 0.26 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 1iwh h GLU 273 Cb 0.07 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1iwh h GLU 273 CO -0.04 0.71 -0.21 0.78 -1.16 0.00 0.00 179.01 179.10 1iwh h GLY 274 N 1.06 0.83 0.26 -3.84 0.00 -0.51 -1.98 103.07 98.89 1iwh h GLY 274 Ca 0.27 -0.77 0.16 0.00 0.00 0.00 0.00 47.33 46.99 1iwh h GLY 274 CO -0.05 0.70 0.59 -2.08 0.00 0.00 0.00 176.54 175.70 1iwh h VAL 275 N 0.55 0.78 -0.13 4.60 2.07 -0.84 -0.58 116.25 122.71 1iwh h VAL 275 Ca 0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1iwh h VAL 275 Cb 0.76 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1iwh h VAL 275 CO 0.06 0.15 0.00 1.41 0.02 0.00 0.00 177.57 179.21 1iwh n HIS 276 N -4.73 0.16 -2.67 1.57 -0.00 -0.74 -4.03 115.22 104.77 1iwh n HIS 276 Ca 0.21 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.72 57.76 1iwh n HIS 276 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.50 1iwh n HIS 276 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1iwh n HIS 277 N 0.29 1.38 0.21 4.41 8.25 -0.26 -4.94 115.22 124.56 1iwh n HIS 277 Ca 0.17 -2.64 0.13 0.00 -0.26 0.00 0.00 57.72 55.11 1iwh n HIS 277 Cb 0.34 -0.32 0.66 0.00 1.12 0.00 0.00 29.99 31.78 1iwh n HIS 277 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1iwh h LEU 278 N 2.85 0.00 -0.27 2.41 3.38 -1.60 0.10 115.31 122.19 1iwh h LEU 278 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iwh h LEU 278 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1iwh h LEU 278 CO 0.45 0.00 -0.46 -0.90 0.09 0.00 0.00 178.44 177.62 1iwh n ASP 279 N -2.37 0.88 -2.81 -0.43 5.75 -1.26 -4.31 116.55 112.01 1iwh n ASP 279 Ca -0.01 -0.68 -0.11 0.00 -0.01 0.00 0.00 54.79 53.98 1iwh n ASP 279 Cb 0.06 0.31 0.04 0.00 -1.03 0.00 0.00 41.12 40.50 1iwh n ASP 279 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1iwh n ASN 280 N -1.05 0.35 -0.23 -1.12 5.15 0.01 -4.93 115.26 113.44 1iwh n ASN 280 Ca 0.08 -2.84 -0.05 0.00 -0.60 0.00 0.00 54.58 51.18 1iwh n ASN 280 Cb 0.35 -0.05 0.11 0.00 -0.53 0.00 0.00 39.78 39.66 1iwh n ASN 280 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1iwh h LEU 281 N 2.83 0.98 -0.47 1.20 3.38 -1.72 -0.94 115.31 120.57 1iwh h LEU 281 Ca -0.08 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1iwh h LEU 281 Cb 1.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 1iwh h LEU 281 CO 0.37 0.90 0.19 0.50 0.09 0.00 0.00 178.44 180.48 1iwh h LYS 282 N 1.03 0.37 -0.35 1.13 3.64 -1.91 -0.87 116.57 119.61 1iwh h LYS 282 Ca 0.23 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1iwh h LYS 282 Cb 0.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1iwh h LYS 282 CO -0.01 0.24 -0.23 0.78 -2.27 0.00 0.00 179.45 177.96 1iwh h GLY 283 N 0.38 0.84 0.63 5.01 0.00 -1.89 -2.24 103.07 105.81 1iwh h GLY 283 Ca 0.21 -0.80 0.09 0.00 0.00 0.00 0.00 47.33 46.84 1iwh h GLY 283 CO -0.20 0.72 0.63 -0.84 0.00 0.00 0.00 176.54 176.86 1iwh h THR 284 N 0.56 1.00 -0.53 4.70 2.02 -0.85 -2.67 112.91 117.15 1iwh h THR 284 Ca 0.07 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1iwh h THR 284 Cb 0.79 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1iwh h THR 284 CO 0.06 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.64 1iwh n PHE 285 N -4.55 0.69 -0.18 3.16 3.72 -0.36 -4.59 117.46 115.35 1iwh n PHE 285 Ca 0.17 -0.35 -0.02 0.00 -0.05 0.00 0.00 57.45 57.20 1iwh n PHE 285 Cb 0.27 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.89 1iwh n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iwh h ALA 286 N 4.47 0.68 -0.37 4.37 0.00 -1.03 0.33 119.26 127.71 1iwh h ALA 286 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1iwh h ALA 286 Cb 1.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1iwh h ALA 286 CO 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 179.25 178.93 1iwh h ALA 287 N 1.36 0.51 -0.11 0.00 0.00 -1.81 -2.19 119.26 117.02 1iwh h ALA 287 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1iwh h ALA 287 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1iwh h ALA 287 CO -0.26 0.41 -0.18 -0.07 0.00 0.00 0.00 179.25 179.15 1iwh h LEU 288 N 0.54 0.17 -0.45 0.00 3.38 -1.73 -1.92 115.31 115.29 1iwh h LEU 288 Ca 0.09 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1iwh h LEU 288 Cb 0.66 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1iwh h LEU 288 CO 0.04 0.37 0.02 -1.28 0.09 0.00 0.00 178.44 177.69 1iwh h SER 289 N 0.17 0.76 -0.79 -0.43 0.87 -0.10 0.10 113.55 114.13 1iwh h SER 289 Ca 0.03 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1iwh h SER 289 Cb 0.42 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1iwh h SER 289 CO 0.03 0.87 0.37 -0.08 -0.53 0.00 0.00 176.83 177.49 1iwh h GLU 290 N 0.64 1.16 0.40 2.24 4.81 -0.91 -0.30 114.58 122.61 1iwh h GLU 290 Ca 0.13 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1iwh h GLU 290 Cb 0.46 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1iwh h GLU 290 CO 0.02 0.90 -0.19 1.25 -0.73 0.00 0.00 179.01 180.26 1iwh h LEU 291 N 1.14 -0.45 -0.26 1.64 5.85 -1.13 -1.31 115.31 120.80 1iwh h LEU 291 Ca 0.27 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 1iwh h LEU 291 Cb 0.13 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1iwh h LEU 291 CO -0.03 -0.27 -0.76 0.45 -0.34 0.00 0.00 178.44 177.49 1iwh h HIS 292 N -0.60 0.00 0.00 1.25 3.86 -0.67 0.49 115.15 119.48 1iwh h HIS 292 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1iwh h HIS 292 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1iwh h HIS 292 CO -0.03 0.76 -0.47 0.00 0.86 0.00 0.00 177.93 179.04 1iwh h ASP 294 N -0.72 0.33 0.01 0.00 3.32 -1.38 -2.58 116.42 115.40 1iwh h ASP 294 Ca 0.00 -0.19 -0.40 0.00 0.02 0.00 0.00 57.03 56.45 1iwh h ASP 294 Cb 0.47 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1iwh h ASP 294 CO 0.00 0.87 -2.34 0.29 -1.72 0.00 0.00 179.24 176.34 1iwh n LYS 295 N -3.87 0.63 0.02 3.56 4.01 -0.75 -4.63 118.16 117.14 1iwh n LYS 295 Ca -0.03 0.24 0.05 0.00 -0.51 0.00 0.00 58.31 58.07 1iwh n LYS 295 Cb 0.63 -1.55 -0.09 0.00 -0.51 0.00 0.00 35.03 33.50 1iwh n LYS 295 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1iwh n LEU 296 N -3.75 0.51 -3.67 -0.35 4.77 0.13 -5.00 117.00 109.64 1iwh n LEU 296 Ca -0.46 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.49 1iwh n LEU 296 Cb 0.93 0.07 0.06 0.00 -2.33 0.00 0.00 43.42 42.15 1iwh n LEU 296 CO 0.19 0.05 0.10 1.41 -1.33 0.00 0.00 177.39 177.82 1iwh n HIS 297 N -2.63 -2.34 -2.54 -1.77 8.25 -0.60 -4.97 115.22 108.62 1iwh n HIS 297 Ca -0.08 0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 57.89 1iwh n HIS 297 Cb 0.72 -4.63 -0.03 0.00 1.12 0.00 0.00 29.99 27.17 1iwh n HIS 297 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iwh s VAL 298 N -3.41 4.32 0.21 1.59 1.01 -0.63 -5.00 120.40 118.48 1iwh s VAL 298 Ca 0.32 1.70 -0.31 0.00 0.00 0.00 0.00 61.98 63.69 1iwh s VAL 298 Cb -0.15 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1iwh s VAL 298 CO 0.78 0.15 1.53 -0.62 0.00 0.00 0.00 175.10 176.93 1iwh s ASP 299 N 0.92 6.59 0.63 3.32 -1.08 -1.26 -4.81 116.67 120.97 1iwh s ASP 299 Ca 0.55 2.67 0.41 0.00 -0.52 0.00 0.00 52.55 55.66 1iwh s ASP 299 Cb -0.26 -2.61 2.10 0.00 -1.46 0.00 0.00 42.92 40.69 1iwh s ASP 299 CO 0.29 -0.79 2.26 1.55 0.52 0.00 0.00 175.17 179.00 1iwh h PRO 300 N 6.02 0.00 -0.59 4.34 0.13 -1.97 -1.35 132.00 138.58 1iwh h PRO 300 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1iwh h PRO 300 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1iwh h PRO 300 CO 0.86 0.00 0.41 1.49 -0.23 0.00 0.00 178.00 180.53 1iwh h GLU 301 N 0.00 0.22 0.00 0.86 4.57 -1.99 -0.08 114.58 118.16 1iwh h GLU 301 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1iwh h GLU 301 Cb 0.15 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1iwh h GLU 301 CO 0.00 0.14 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.05 1iwh h ASN 302 N 0.23 0.00 -0.54 1.04 4.21 -1.61 -1.09 115.58 117.81 1iwh h ASN 302 Ca 0.28 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.68 1iwh h ASN 302 Cb 0.80 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.98 1iwh h ASN 302 CO -0.05 0.01 -0.09 -0.26 -1.29 0.00 0.00 177.43 175.74 1iwh h PHE 303 N 0.00 1.14 -0.43 1.19 0.04 -1.16 -0.06 116.94 117.67 1iwh h PHE 303 Ca -0.00 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.48 1iwh h PHE 303 Cb 0.53 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1iwh h PHE 303 CO 0.00 1.05 0.05 0.00 -0.60 0.00 0.00 178.31 178.81 1iwh h ARG 304 N 0.90 0.72 -0.64 1.51 3.08 -1.41 -1.54 114.38 117.01 1iwh h ARG 304 Ca 0.14 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1iwh h ARG 304 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1iwh h ARG 304 CO 0.05 0.77 0.41 -0.07 -1.07 0.00 0.00 179.97 180.06 1iwh h LEU 305 N 0.57 0.70 -0.82 3.04 3.38 -0.80 -1.19 115.31 120.20 1iwh h LEU 305 Ca 0.13 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1iwh h LEU 305 Cb 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1iwh h LEU 305 CO 0.01 0.50 -0.14 0.25 0.09 0.00 0.00 178.44 179.15 1iwh h LEU 306 N 0.83 0.72 -0.90 1.67 5.85 -0.88 -0.12 115.31 122.48 1iwh h LEU 306 Ca 0.24 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1iwh h LEU 306 Cb -0.06 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1iwh h LEU 306 CO -0.07 0.88 0.59 1.23 -0.34 0.00 0.00 178.44 180.74 1iwh h GLY 307 N 0.98 1.28 1.40 3.75 0.00 -0.66 0.33 103.07 110.14 1iwh h GLY 307 Ca 0.11 -0.47 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 1iwh h GLY 307 CO 0.04 0.45 -0.67 3.43 0.00 0.00 0.00 176.54 179.78 1iwh h ASN 308 N 1.20 0.70 -0.65 0.19 2.35 -0.82 -1.29 115.58 117.27 1iwh h ASN 308 Ca 0.34 -0.43 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1iwh h ASN 308 Cb -0.11 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.00 1iwh h ASN 308 CO -0.08 1.18 0.36 0.58 -1.65 0.00 0.00 177.43 177.82 1iwh h VAL 309 N 0.43 0.98 -0.84 2.81 2.07 -0.67 -0.74 116.25 120.29 1iwh h VAL 309 Ca -0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1iwh h VAL 309 Cb 1.26 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1iwh h VAL 309 CO 0.13 0.12 0.49 0.25 0.02 0.00 0.00 177.57 178.58 1iwh h LEU 310 N 0.68 1.02 -0.55 2.57 5.85 -0.63 -0.91 115.31 123.33 1iwh h LEU 310 Ca 0.29 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1iwh h LEU 310 Cb 0.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1iwh h LEU 310 CO -0.17 0.80 0.34 0.58 -0.34 0.00 0.00 178.44 179.65 1iwh h VAL 311 N 1.16 1.16 -0.85 1.05 2.07 -0.63 0.08 116.25 120.29 1iwh h VAL 311 Ca 0.30 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1iwh h VAL 311 Cb -0.02 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 1iwh h VAL 311 CO -0.05 0.16 0.56 0.58 0.02 0.00 0.00 177.57 178.84 1iwh h VAL 312 N 0.75 1.15 -0.33 2.57 2.07 -0.55 0.01 116.25 121.90 1iwh h VAL 312 Ca 0.20 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1iwh h VAL 312 Cb -0.03 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1iwh h VAL 312 CO -0.04 0.19 -0.18 0.58 0.02 0.00 0.00 177.57 178.15 1iwh h VAL 313 N 1.06 1.29 -0.89 2.57 2.07 -0.63 -0.61 116.25 121.12 1iwh h VAL 313 Ca 0.33 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1iwh h VAL 313 Cb 0.01 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1iwh h VAL 313 CO -0.10 0.42 0.58 -0.07 0.02 0.00 0.00 177.57 178.42 1iwh h LEU 314 N 0.48 0.96 -1.04 2.57 3.38 -0.64 0.76 115.31 121.78 1iwh h LEU 314 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iwh h LEU 314 Cb 0.72 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1iwh h LEU 314 CO 0.05 0.66 0.53 0.00 0.09 0.00 0.00 178.44 179.77 1iwh h ALA 315 N 1.37 1.28 -0.57 1.53 0.00 -0.62 -0.31 119.26 121.93 1iwh h ALA 315 Ca 0.35 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1iwh h ALA 315 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1iwh h ALA 315 CO -0.12 0.62 -0.04 -0.09 0.00 0.00 0.00 179.25 179.62 1iwh h ARG 316 N 1.21 1.04 -0.08 0.00 2.43 -0.05 -0.95 114.38 117.97 1iwh h ARG 316 Ca 0.32 -0.35 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 1iwh h ARG 316 Cb -0.06 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1iwh h ARG 316 CO -0.06 1.04 -0.84 0.45 -1.51 0.00 0.00 179.97 179.05 1iwh h HIS 317 N 0.93 0.85 -0.00 2.20 3.86 -0.60 -3.36 115.15 119.03 1iwh h HIS 317 Ca 0.16 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1iwh h HIS 317 Cb 0.60 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1iwh h HIS 317 CO 0.04 1.22 -0.62 1.19 0.86 0.00 0.00 177.93 180.62 1iwh n PHE 318 N -3.86 0.00 -2.18 2.45 3.72 -0.15 -5.05 117.46 112.38 1iwh n PHE 318 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1iwh n PHE 318 Cb 0.78 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 1iwh n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iwh n GLY 319 N 1.32 3.02 0.25 1.37 0.00 -0.37 -1.57 105.19 109.20 1iwh n GLY 319 Ca 0.05 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.01 1iwh n GLY 319 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1iwh h LYS 320 N 0.00 0.00 0.00 1.61 -0.00 -1.97 0.15 116.57 116.36 1iwh h LYS 320 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1iwh h LYS 320 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1iwh h LYS 320 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 179.45 179.01 1iwh h ASP 321 N 0.00 0.00 -1.12 7.07 3.45 -1.69 -3.30 116.42 120.83 1iwh h ASP 321 Ca 0.00 0.00 -0.74 0.00 0.43 0.00 0.00 57.03 56.72 1iwh h ASP 321 Cb 0.16 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 38.80 1iwh h ASP 321 CO 0.00 0.00 2.21 0.33 -1.57 0.00 0.00 179.24 180.21 1iwh n PHE 322 N -2.79 3.47 -0.87 4.55 7.35 0.51 -4.96 117.46 124.71 1iwh n PHE 322 Ca 0.02 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 1iwh n PHE 322 Cb 0.31 -2.17 0.16 0.00 0.35 0.00 0.00 39.48 38.13 1iwh n PHE 322 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1iwh s THR 323 N 1.46 2.42 0.31 -2.13 -4.23 -1.24 -4.64 115.64 107.59 1iwh s THR 323 Ca 0.43 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1iwh s THR 323 Cb 0.09 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.89 1iwh s THR 323 CO -0.01 -0.18 1.83 -0.65 -0.54 0.00 0.00 174.62 175.07 1iwh h PRO 324 N -1.79 0.81 -0.45 3.99 0.11 -1.94 0.11 132.00 132.85 1iwh h PRO 324 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1iwh h PRO 324 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1iwh h PRO 324 CO 0.47 0.54 -0.15 0.93 -0.21 0.00 0.00 178.00 179.58 1iwh h GLU 325 N 0.84 0.89 -0.43 1.05 3.07 -1.99 -1.66 114.58 116.35 1iwh h GLU 325 Ca 0.50 -0.36 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1iwh h GLU 325 Cb 0.67 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1iwh h GLU 325 CO -0.27 1.01 0.05 1.25 -1.40 0.00 0.00 179.01 179.64 1iwh h LEU 326 N 0.72 0.70 -0.77 1.33 5.85 -1.79 -2.03 115.31 119.33 1iwh h LEU 326 Ca 0.11 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.60 1iwh h LEU 326 Cb 0.70 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1iwh h LEU 326 CO 0.05 0.80 0.47 -0.61 -0.34 0.00 0.00 178.44 178.81 1iwh h GLN 327 N 0.58 0.84 -0.91 1.25 4.15 -0.78 -0.18 115.11 120.06 1iwh h GLN 327 Ca 0.13 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.55 1iwh h GLN 327 Cb 0.41 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 27.85 1iwh h GLN 327 CO 0.01 0.56 0.58 0.00 -1.93 0.00 0.00 178.83 178.05 1iwh h ALA 328 N 1.36 1.24 -0.45 3.38 0.00 -0.76 0.15 119.26 124.18 1iwh h ALA 328 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1iwh h ALA 328 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1iwh h ALA 328 CO -0.16 0.39 0.16 0.77 0.00 0.00 0.00 179.25 180.41 1iwh h SER 329 N 1.09 0.65 0.42 0.00 0.02 -0.74 -2.16 113.55 112.83 1iwh h SER 329 Ca 0.38 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1iwh h SER 329 Cb 0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1iwh h SER 329 CO -0.15 0.66 -0.18 1.88 -1.14 0.00 0.00 176.83 177.90 1iwh h TYR 330 N 0.59 0.00 -0.35 3.45 0.05 0.07 -0.91 116.97 119.87 1iwh h TYR 330 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 1iwh h TYR 330 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1iwh h TYR 330 CO 0.01 0.18 -0.26 1.96 -1.05 0.00 0.00 178.16 179.00 1iwh h GLN 331 N 0.00 0.70 -0.77 4.88 1.08 -0.20 -0.12 115.11 120.68 1iwh h GLN 331 Ca -0.00 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.87 1iwh h GLN 331 Cb 0.44 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 1iwh h GLN 331 CO 0.02 0.89 0.33 0.87 -0.95 0.00 0.00 178.83 180.00 1iwh h LYS 332 N 0.61 1.13 0.23 1.46 1.57 -0.60 -1.87 116.57 119.09 1iwh h LYS 332 Ca 0.08 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1iwh h LYS 332 Cb 0.76 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1iwh h LYS 332 CO 0.06 0.90 -0.11 0.28 -0.57 0.00 0.00 179.45 180.01 1iwh h VAL 333 N 1.11 0.83 0.00 0.50 2.07 -0.93 -1.33 116.25 118.50 1iwh h VAL 333 Ca 0.26 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1iwh h VAL 333 Cb 0.17 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1iwh h VAL 333 CO -0.03 0.09 -0.21 -0.37 0.02 0.00 0.00 177.57 177.07 1iwh h VAL 334 N -0.51 0.49 -0.19 2.57 -1.51 -1.02 -0.21 116.25 115.86 1iwh h VAL 334 Ca -0.03 -1.14 -0.15 0.00 -1.23 0.00 0.00 66.70 64.15 1iwh h VAL 334 Cb 0.38 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1iwh h VAL 334 CO 0.05 0.21 -0.49 0.00 -1.23 0.00 0.00 177.57 176.11 1iwh h ALA 335 N 1.79 0.78 -0.40 5.19 0.00 -1.28 -1.19 119.26 124.15 1iwh h ALA 335 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1iwh h ALA 335 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1iwh h ALA 335 CO 0.03 0.67 0.10 0.78 0.00 0.00 0.00 179.25 180.82 1iwh h GLY 336 N 1.09 0.68 0.95 0.00 0.00 -0.35 0.18 103.07 105.62 1iwh h GLY 336 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1iwh h GLY 336 CO 0.09 0.40 0.17 -2.08 0.00 0.00 0.00 176.54 175.12 1iwh h VAL 337 N 0.50 1.17 -0.79 4.60 2.07 -0.99 0.52 116.25 123.34 1iwh h VAL 337 Ca 0.12 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1iwh h VAL 337 Cb 0.31 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1iwh h VAL 337 CO 0.00 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.20 1iwh h ALA 338 N 1.02 1.01 -0.57 1.67 0.00 -1.10 0.21 119.26 121.50 1iwh h ALA 338 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1iwh h ALA 338 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1iwh h ALA 338 CO -0.01 0.53 0.22 -0.97 0.00 0.00 0.00 179.25 179.02 1iwh h ASN 339 N 1.10 0.79 -0.40 0.00 -1.24 -0.61 -1.92 115.58 113.30 1iwh h ASN 339 Ca 0.28 -0.17 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 1iwh h ASN 339 Cb 0.05 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 1iwh h ASN 339 CO -0.04 0.75 -0.15 0.00 -1.29 0.00 0.00 177.43 176.69 1iwh h ALA 340 N 1.07 0.87 0.00 1.57 0.00 -0.29 -2.26 119.26 120.22 1iwh h ALA 340 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1iwh h ALA 340 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1iwh h ALA 340 CO -0.01 0.64 -0.18 1.25 0.00 0.00 0.00 179.25 180.95 1iwh h LEU 341 N 0.77 0.00 -1.43 0.00 6.46 -0.33 -1.97 115.31 118.81 1iwh h LEU 341 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1iwh h LEU 341 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1iwh h LEU 341 CO 0.05 0.18 0.00 0.00 -0.62 0.00 0.00 178.44 178.04 1iwh n ALA 342 N -2.29 2.49 -0.28 1.25 0.00 -0.74 -4.36 120.51 116.58 1iwh n ALA 342 Ca -0.01 -0.64 0.07 0.00 0.00 0.00 0.00 53.44 52.86 1iwh n ALA 342 Cb 0.30 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 18.95 1iwh n ALA 342 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1iwh h HIS 343 N 2.88 0.64 0.00 0.00 6.17 -1.07 0.27 115.15 124.05 1iwh h HIS 343 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1iwh h HIS 343 Cb 0.63 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1iwh h HIS 343 CO 0.13 0.09 0.00 0.87 0.71 0.00 0.00 177.93 179.73 1iwh h LYS 344 N 0.50 0.00 0.00 5.26 1.79 -1.82 0.61 116.57 122.91 1iwh h LYS 344 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1iwh h LYS 344 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1iwh h LYS 344 CO -0.41 0.00 -0.08 1.88 -1.08 0.00 0.00 179.45 179.75 1iwh h TYR 345 N 0.00 0.00 -0.01 -1.35 0.99 -0.78 -3.48 116.97 112.34 1iwh h TYR 345 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1iwh h TYR 345 Cb 0.13 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.86 1iwh h TYR 345 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 178.88