#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd4 s TYR 216 N 0.00 3.23 0.00 1.20 5.04 -1.26 -5.01 117.35 120.55 1jd4 s TYR 216 Ca 0.00 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 1jd4 s TYR 216 Cb 0.00 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1jd4 s TYR 216 CO 0.00 0.05 0.00 0.34 -1.34 0.00 0.00 175.55 174.60 1jd4 n PHE 217 N 3.88 0.00 -1.56 4.97 -0.00 -1.26 -5.14 117.46 118.35 1jd4 n PHE 217 Ca -0.16 0.00 -0.47 0.00 -0.00 0.00 0.00 57.45 56.82 1jd4 n PHE 217 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.97 1jd4 n PHE 217 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1jd4 n PRO 218 N -0.01 1.11 0.24 -7.13 -0.02 -1.26 -4.85 135.00 123.09 1jd4 n PRO 218 Ca 0.00 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1jd4 n PRO 218 Cb 0.00 -1.78 0.58 0.00 -0.02 0.00 0.00 33.50 32.28 1jd4 n PRO 218 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1jd4 h GLN 219 N 2.53 0.00 -2.44 -0.52 5.75 0.76 -3.28 115.11 117.90 1jd4 h GLN 219 Ca -0.40 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.51 1jd4 h GLN 219 Cb 1.35 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.51 1jd4 h GLN 219 CO 0.65 0.16 -0.90 0.66 -2.65 0.00 0.00 178.83 176.74 1jd4 n TYR 220 N -3.39 0.17 -0.25 3.99 4.02 0.13 -4.95 117.16 116.88 1jd4 n TYR 220 Ca -0.00 -3.58 0.23 0.00 -0.01 0.00 0.00 57.90 54.54 1jd4 n TYR 220 Cb 0.35 -0.03 0.57 0.00 -0.02 0.00 0.00 39.34 40.21 1jd4 n TYR 220 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1jd4 h PRO 221 N 5.28 0.29 0.00 -0.72 0.11 -1.78 -0.22 132.00 134.95 1jd4 h PRO 221 Ca 0.21 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1jd4 h PRO 221 Cb 0.86 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1jd4 h PRO 221 CO 0.47 0.19 -0.10 1.05 -0.21 0.00 0.00 178.00 179.41 1jd4 h GLU 222 N 0.29 0.00 -0.63 1.05 9.09 -1.94 -2.51 114.58 119.94 1jd4 h GLU 222 Ca 0.49 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.69 1jd4 h GLU 222 Cb 1.41 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.38 1jd4 h GLU 222 CO -0.15 0.10 0.21 0.66 0.05 0.00 0.00 179.01 179.87 1jd4 n TYR 223 N -4.01 2.05 -0.12 2.06 0.53 -0.10 -4.59 117.16 112.99 1jd4 n TYR 223 Ca -0.02 -1.29 -0.04 0.00 -1.02 0.00 0.00 57.90 55.52 1jd4 n TYR 223 Cb 0.18 -0.63 0.16 0.00 -1.03 0.00 0.00 39.34 38.03 1jd4 n TYR 223 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jd4 h ALA 224 N 2.07 1.11 -2.70 -0.72 0.00 -1.50 -3.42 119.26 114.10 1jd4 h ALA 224 Ca 0.26 -0.25 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1jd4 h ALA 224 Cb 2.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1jd4 h ALA 224 CO 0.64 0.57 0.18 0.42 0.00 0.00 0.00 179.25 181.06 1jd4 s ILE 225 N -5.05 4.50 0.12 0.00 1.09 -1.26 -4.98 121.20 115.61 1jd4 s ILE 225 Ca -0.10 1.68 -0.24 0.00 -1.10 0.00 0.00 60.65 60.90 1jd4 s ILE 225 Cb 0.15 -4.13 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 1jd4 s ILE 225 CO 0.81 0.46 1.67 -0.08 -0.10 0.00 0.00 174.94 177.71 1jd4 h GLU 226 N 4.83 -0.23 -0.80 2.79 4.81 -1.93 -2.55 114.58 121.51 1jd4 h GLU 226 Ca -0.46 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 58.98 1jd4 h GLU 226 Cb 1.21 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 1jd4 h GLU 226 CO 0.68 -0.15 0.09 1.15 -0.73 0.00 0.00 179.01 180.05 1jd4 h THR 227 N -0.24 0.34 -0.61 0.32 2.02 -1.96 0.49 112.91 113.28 1jd4 h THR 227 Ca 0.06 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1jd4 h THR 227 Cb 0.32 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1jd4 h THR 227 CO -0.17 0.03 0.25 0.00 0.37 0.00 0.00 175.52 176.00 1jd4 h ALA 228 N 1.73 1.28 -0.36 6.16 0.00 -1.84 -2.62 119.26 123.62 1jd4 h ALA 228 Ca 0.46 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1jd4 h ALA 228 Cb 0.85 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jd4 h ALA 228 CO -0.65 0.53 -0.31 0.00 0.00 0.00 0.00 179.25 178.82 1jd4 h ARG 229 N 0.88 0.84 0.15 0.00 3.08 0.24 -3.30 114.38 116.26 1jd4 h ARG 229 Ca 0.21 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1jd4 h ARG 229 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1jd4 h ARG 229 CO -0.02 1.07 -0.24 1.25 -1.07 0.00 0.00 179.97 180.95 1jd4 h LEU 230 N 0.64 -0.68 -1.38 3.04 6.46 -0.46 -2.82 115.31 120.11 1jd4 h LEU 230 Ca 0.06 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 1jd4 h LEU 230 Cb 0.89 0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1jd4 h LEU 230 CO 0.08 -0.34 0.64 0.03 -0.62 0.00 0.00 178.44 178.23 1jd4 h ARG 231 N -0.46 0.00 0.00 1.25 3.08 -1.57 0.52 114.38 117.20 1jd4 h ARG 231 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1jd4 h ARG 231 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1jd4 h ARG 231 CO -0.12 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.03 1jd4 n THR 232 N -3.02 0.36 0.51 2.04 -2.24 -1.06 -3.49 114.28 107.37 1jd4 n THR 232 Ca 0.04 -0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 1jd4 n THR 232 Cb 0.74 -0.64 0.18 0.00 -2.10 0.00 0.00 70.33 68.50 1jd4 n THR 232 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jd4 n PHE 233 N -1.74 0.72 0.23 4.78 3.01 0.17 -4.29 117.46 120.34 1jd4 n PHE 233 Ca 0.06 -0.29 0.07 0.00 1.01 0.00 0.00 57.45 58.30 1jd4 n PHE 233 Cb 0.33 -0.13 0.59 0.00 -0.01 0.00 0.00 39.48 40.25 1jd4 n PHE 233 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1jd4 h GLU 234 N 2.04 0.06 -0.71 -1.08 4.11 -1.77 -0.38 114.58 116.85 1jd4 h GLU 234 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1jd4 h GLU 234 Cb 0.81 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1jd4 h GLU 234 CO 0.11 0.08 0.00 0.00 0.07 0.00 0.00 179.01 179.26 1jd4 n ALA 235 N -2.53 2.46 -1.90 1.06 0.00 -1.26 -4.97 120.51 113.37 1jd4 n ALA 235 Ca -0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 53.44 51.66 1jd4 n ALA 235 Cb 0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1jd4 n ALA 235 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jd4 s TRP 236 N -1.11 3.03 -0.79 0.00 -0.11 -0.15 -4.82 118.94 114.97 1jd4 s TRP 236 Ca 0.49 0.63 -0.24 0.00 1.22 0.00 0.00 56.10 58.20 1jd4 s TRP 236 Cb 0.26 -3.95 -0.18 0.00 -1.50 0.00 0.00 33.47 28.10 1jd4 s TRP 236 CO 0.32 -3.48 2.44 -2.30 -4.62 0.00 0.00 176.95 169.31 1jd4 n PRO 237 N 3.76 0.45 -0.32 5.86 -0.02 -1.26 -4.82 135.00 138.66 1jd4 n PRO 237 Ca 0.13 -0.21 0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1jd4 n PRO 237 Cb 0.38 -2.53 0.55 0.00 -0.02 0.00 0.00 33.50 31.88 1jd4 n PRO 237 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jd4 h ARG 238 N 14.34 0.06 0.00 -0.52 2.43 -1.96 -0.57 114.38 128.16 1jd4 h ARG 238 Ca -0.08 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1jd4 h ARG 238 Cb 1.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1jd4 h ARG 238 CO 1.27 0.04 0.00 -1.71 -1.51 0.00 0.00 179.97 178.06 1jd4 n ASN 239 N -5.24 0.06 -4.79 -3.80 5.15 -1.26 -4.80 115.26 100.58 1jd4 n ASN 239 Ca 0.36 0.52 -0.35 0.00 -0.60 0.00 0.00 54.58 54.51 1jd4 n ASN 239 Cb 1.20 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 39.89 1jd4 n ASN 239 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jd4 s LEU 240 N -3.14 3.88 0.15 1.20 1.02 -0.23 -4.95 118.68 116.61 1jd4 s LEU 240 Ca 0.05 2.02 -0.12 0.00 0.02 0.00 0.00 54.13 56.10 1jd4 s LEU 240 Cb 0.08 -4.50 0.03 0.00 0.02 0.00 0.00 46.19 41.82 1jd4 s LEU 240 CO 0.23 -0.84 1.61 0.11 0.02 0.00 0.00 176.35 177.48 1jd4 h LYS 241 N 1.64 0.90 -6.23 1.70 1.79 -1.89 -3.40 116.57 111.08 1jd4 h LYS 241 Ca -0.49 -0.28 -0.54 0.00 -2.18 0.00 0.00 60.65 57.16 1jd4 h LYS 241 Cb 1.23 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 1jd4 h LYS 241 CO 0.59 0.92 1.23 -0.65 -1.08 0.00 0.00 179.45 180.46 1jd4 s GLN 242 N -5.05 3.10 0.56 3.15 1.11 -1.26 -4.99 119.66 116.28 1jd4 s GLN 242 Ca -0.12 0.80 -0.15 0.00 0.01 0.00 0.00 55.36 55.90 1jd4 s GLN 242 Cb 0.12 -4.23 -0.06 0.00 -1.01 0.00 0.00 33.01 27.83 1jd4 s GLN 242 CO 0.82 -2.16 1.01 -1.59 0.01 0.00 0.00 175.29 173.39 1jd4 s LYS 243 N 6.03 3.73 0.18 2.91 -2.85 -1.26 -4.90 119.74 123.58 1jd4 s LYS 243 Ca 0.65 0.93 -0.15 0.00 -1.00 0.00 0.00 55.97 56.40 1jd4 s LYS 243 Cb -0.15 -2.10 0.14 0.00 -2.06 0.00 0.00 37.83 33.66 1jd4 s LYS 243 CO 0.26 -0.46 1.67 -1.35 0.10 0.00 0.00 175.35 175.58 1jd4 h PRO 244 N 0.46 0.05 -0.70 1.78 0.11 -1.94 -1.86 132.00 129.89 1jd4 h PRO 244 Ca -0.46 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 1jd4 h PRO 244 Cb 1.19 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1jd4 h PRO 244 CO 0.61 0.03 0.47 0.45 -0.21 0.00 0.00 178.00 179.35 1jd4 h HIS 245 N 0.05 0.46 0.34 0.65 3.86 -1.94 0.14 115.15 118.71 1jd4 h HIS 245 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1jd4 h HIS 245 Cb 0.34 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1jd4 h HIS 245 CO -0.35 0.19 -0.16 1.96 0.86 0.00 0.00 177.93 180.43 1jd4 h GLN 246 N 0.41 -0.44 -1.02 2.45 4.20 -1.74 -2.12 115.11 116.86 1jd4 h GLN 246 Ca 0.34 0.03 0.25 0.00 0.06 0.00 0.00 58.65 59.33 1jd4 h GLN 246 Cb 0.75 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.54 1jd4 h GLN 246 CO -0.10 -0.29 0.65 -0.07 -0.67 0.00 0.00 178.83 178.34 1jd4 h LEU 247 N -0.66 0.51 0.08 1.46 3.38 -1.08 -0.73 115.31 118.28 1jd4 h LEU 247 Ca -0.05 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jd4 h LEU 247 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jd4 h LEU 247 CO 0.08 0.12 -0.04 0.00 0.09 0.00 0.00 178.44 178.69 1jd4 h ALA 248 N 1.64 -0.11 -0.10 1.53 0.00 -0.76 -1.22 119.26 120.23 1jd4 h ALA 248 Ca 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jd4 h ALA 248 Cb 1.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1jd4 h ALA 248 CO -0.32 -0.46 0.05 0.93 0.00 0.00 0.00 179.25 179.46 1jd4 h GLU 249 N -0.33 0.13 -0.44 0.00 5.08 -0.45 -0.94 114.58 117.63 1jd4 h GLU 249 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jd4 h GLU 249 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jd4 h GLU 249 CO 0.02 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 1jd4 n ALA 250 N -2.52 2.51 -0.96 3.43 0.00 -0.76 -4.84 120.51 117.37 1jd4 n ALA 250 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1jd4 n ALA 250 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1jd4 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd4 n GLY 251 N 0.30 0.43 3.75 0.00 0.00 -0.36 -4.83 105.19 104.49 1jd4 n GLY 251 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1jd4 n GLY 251 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jd4 s PHE 252 N -2.00 3.14 0.09 1.61 0.40 -0.48 -1.94 117.98 118.80 1jd4 s PHE 252 Ca 0.00 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1jd4 s PHE 252 Cb 0.00 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 1jd4 s PHE 252 CO 0.00 0.51 -0.12 -0.59 0.70 0.00 0.00 175.22 175.72 1jd4 s PHE 253 N -1.39 1.13 0.03 0.36 -0.12 0.23 -3.91 117.98 114.31 1jd4 s PHE 253 Ca 0.28 -0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 56.30 1jd4 s PHE 253 Cb -0.12 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1jd4 s PHE 253 CO 0.21 0.04 1.01 -0.47 -0.05 0.00 0.00 175.22 175.95 1jd4 s TYR 254 N -1.93 3.66 -1.18 3.49 5.04 -1.26 -1.52 117.35 123.65 1jd4 s TYR 254 Ca 0.02 1.67 0.26 0.00 -2.44 0.00 0.00 57.07 56.58 1jd4 s TYR 254 Cb -0.06 -3.15 1.19 0.00 0.35 0.00 0.00 41.96 40.29 1jd4 s TYR 254 CO 0.01 -0.14 1.85 2.41 -1.34 0.00 0.00 175.55 178.34 1jd4 n THR 255 N 3.66 0.20 0.00 4.34 -1.04 -0.89 -4.89 114.28 115.67 1jd4 n THR 255 Ca 0.06 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1jd4 n THR 255 Cb 0.50 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1jd4 n THR 255 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jd4 n GLY 256 N 1.06 2.86 3.50 3.41 0.00 -1.26 -4.99 105.19 109.76 1jd4 n GLY 256 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1jd4 n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jd4 s VAL 257 N -2.05 3.89 0.00 1.61 1.01 -1.26 -5.02 120.40 118.58 1jd4 s VAL 257 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1jd4 s VAL 257 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1jd4 s VAL 257 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1jd4 n GLY 258 N 3.56 2.79 0.25 4.51 0.00 -1.26 -2.28 105.19 112.76 1jd4 n GLY 258 Ca -0.17 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1jd4 n GLY 258 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jd4 n ASP 259 N 4.75 1.77 -4.69 1.61 5.75 -1.26 -4.57 116.55 119.90 1jd4 n ASP 259 Ca 0.00 -2.91 -0.42 0.00 -0.01 0.00 0.00 54.79 51.45 1jd4 n ASP 259 Cb 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 1jd4 n ASP 259 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jd4 s ARG 260 N -2.24 4.44 0.20 0.11 0.52 -0.96 -4.46 118.95 116.55 1jd4 s ARG 260 Ca 0.26 1.26 0.07 0.00 -0.52 0.00 0.00 55.73 56.80 1jd4 s ARG 260 Cb 0.23 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 1jd4 s ARG 260 CO 0.01 -0.20 -0.12 0.14 0.02 0.00 0.00 175.30 175.15 1jd4 s VAL 261 N 1.61 1.58 0.04 3.52 -7.23 -0.49 -2.08 120.40 117.35 1jd4 s VAL 261 Ca 0.46 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1jd4 s VAL 261 Cb -0.19 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 1jd4 s VAL 261 CO 0.20 -0.60 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.16 1jd4 s ARG 262 N -3.68 0.60 0.04 4.82 0.52 -0.58 -1.36 118.95 119.31 1jd4 s ARG 262 Ca 0.22 -0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 54.47 1jd4 s ARG 262 Cb 0.00 -0.45 -0.06 0.00 0.52 0.00 0.00 34.95 34.97 1jd4 s ARG 262 CO 0.06 0.09 0.66 0.00 0.02 0.00 0.00 175.30 176.13 1jd4 h PHE 264 N 5.34 0.02 0.00 0.00 -5.15 -1.69 0.43 116.94 115.89 1jd4 h PHE 264 Ca -0.46 -0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.26 1jd4 h PHE 264 Cb 1.20 -0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.36 1jd4 h PHE 264 CO 0.66 0.32 -0.45 0.66 -2.00 0.00 0.00 178.31 177.50 1jd4 h SER 265 N 0.02 0.00 0.42 -0.68 4.64 -1.87 0.50 113.55 116.57 1jd4 h SER 265 Ca -0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1jd4 h SER 265 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1jd4 h SER 265 CO 0.04 0.88 -0.53 0.00 -0.87 0.00 0.00 176.83 176.35 1jd4 n GLY 267 N 1.49 0.22 3.76 0.00 0.00 0.14 -4.95 105.19 105.85 1jd4 n GLY 267 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1jd4 n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jd4 s GLY 268 N -2.00 3.01 -0.07 -0.02 0.00 -1.26 -4.61 107.32 102.36 1jd4 s GLY 268 Ca 0.00 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.68 1jd4 s GLY 268 CO 0.00 1.50 -0.20 -0.32 0.00 0.00 0.00 173.10 174.08 1jd4 s GLY 269 N -0.94 1.41 0.07 0.20 0.00 -1.26 -1.14 107.32 105.66 1jd4 s GLY 269 Ca 0.47 -1.00 0.09 0.00 0.00 0.00 0.00 44.72 44.29 1jd4 s GLY 269 CO 0.40 -0.57 -0.24 1.08 0.00 0.00 0.00 173.10 173.77 1jd4 s LEU 270 N -0.18 2.21 0.00 0.66 1.43 -0.47 -4.95 118.68 117.39 1jd4 s LEU 270 Ca -0.02 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1jd4 s LEU 270 Cb -0.14 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.95 1jd4 s LEU 270 CO 0.03 0.19 0.00 1.15 0.23 0.00 0.00 176.35 177.96 1jd4 n MET 271 N 1.56 0.00 -3.81 1.70 0.00 -1.26 -1.39 117.12 113.91 1jd4 n MET 271 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.23 1jd4 n MET 271 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.73 1jd4 n MET 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jd4 n ASP 272 N -0.93 -3.51 -4.55 3.17 8.00 -1.26 -4.82 116.55 112.66 1jd4 n ASP 272 Ca 0.00 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.36 1jd4 n ASP 272 Cb 0.00 -2.88 -0.04 0.00 -0.02 0.00 0.00 41.12 38.17 1jd4 n ASP 272 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1jd4 n TRP 273 N -4.16 1.73 -2.20 1.24 7.02 -1.26 -4.97 117.44 114.84 1jd4 n TRP 273 Ca 0.04 0.03 -0.28 0.00 -1.02 0.00 0.00 57.50 56.27 1jd4 n TRP 273 Cb 0.51 -2.66 0.04 0.00 -2.42 0.00 0.00 31.31 26.78 1jd4 n TRP 273 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1jd4 s ASN 274 N 8.89 5.51 0.35 -0.99 3.84 -1.26 -4.95 114.94 126.32 1jd4 s ASN 274 Ca 1.03 0.86 0.08 0.00 0.21 0.00 0.00 52.86 55.04 1jd4 s ASN 274 Cb -0.45 -1.77 0.77 0.00 -0.55 0.00 0.00 41.25 39.25 1jd4 s ASN 274 CO 0.37 -1.19 1.87 0.44 -2.79 0.00 0.00 177.10 175.81 1jd4 h ASP 275 N -0.37 0.70 -0.10 -4.21 3.32 -2.03 -2.22 116.42 111.51 1jd4 h ASP 275 Ca -0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1jd4 h ASP 275 Cb 1.26 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jd4 h ASP 275 CO 0.62 0.36 0.00 -0.46 -1.72 0.00 0.00 179.24 178.04 1jd4 n ASN 276 N -4.56 0.55 -4.80 6.45 6.94 -1.26 -4.91 115.26 113.67 1jd4 n ASN 276 Ca 0.17 -1.96 -0.38 0.00 -0.02 0.00 0.00 54.58 52.39 1jd4 n ASN 276 Cb 0.43 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.72 1jd4 n ASN 276 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1jd4 s ASP 277 N -1.04 6.73 -0.12 0.53 1.01 -0.84 -5.07 116.67 117.88 1jd4 s ASP 277 Ca 0.08 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.23 1jd4 s ASP 277 Cb 0.04 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1jd4 s ASP 277 CO 0.06 0.24 -0.17 -1.61 0.21 0.00 0.00 175.17 173.90 1jd4 s GLU 278 N -0.57 3.22 0.12 8.23 2.02 -1.26 -4.85 118.70 125.61 1jd4 s GLU 278 Ca 0.23 -0.75 -0.33 0.00 0.02 0.00 0.00 54.97 54.14 1jd4 s GLU 278 Cb -0.16 -2.51 -0.12 0.00 0.10 0.00 0.00 34.13 31.45 1jd4 s GLU 278 CO 0.11 0.23 1.54 -1.35 0.02 0.00 0.00 175.26 175.81 1jd4 h PRO 279 N 6.63 -0.48 -0.68 0.39 0.11 -1.98 -0.82 132.00 135.17 1jd4 h PRO 279 Ca -0.25 0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.03 1jd4 h PRO 279 Cb 1.22 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1jd4 h PRO 279 CO 0.52 -0.32 0.20 -1.49 -0.21 0.00 0.00 178.00 176.71 1jd4 h TRP 280 N -0.50 0.33 -0.38 0.65 -0.00 -1.92 0.33 115.95 114.45 1jd4 h TRP 280 Ca 0.05 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1jd4 h TRP 280 Cb 0.63 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 1jd4 h TRP 280 CO -0.64 -0.00 0.12 1.49 -0.00 0.00 0.00 178.44 179.41 1jd4 h GLU 281 N 0.33 0.59 -0.66 0.49 4.81 -1.92 0.16 114.58 118.38 1jd4 h GLU 281 Ca 0.37 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1jd4 h GLU 281 Cb 0.56 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1jd4 h GLU 281 CO -0.42 0.60 0.26 1.96 -0.73 0.00 0.00 179.01 180.68 1jd4 h GLN 282 N 0.47 0.99 0.41 1.92 1.08 -0.28 0.13 115.11 119.83 1jd4 h GLN 282 Ca 0.12 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1jd4 h GLN 282 Cb 0.25 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1jd4 h GLN 282 CO -0.00 0.83 -0.41 1.25 -0.95 0.00 0.00 178.83 179.55 1jd4 h HIS 283 N 0.93 -1.14 -0.92 2.96 2.76 -0.09 -1.02 115.15 118.64 1jd4 h HIS 283 Ca 0.22 0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.50 1jd4 h HIS 283 Cb 0.22 0.44 -0.08 0.00 1.55 0.00 0.00 27.41 29.54 1jd4 h HIS 283 CO 0.01 -0.55 0.56 0.00 -1.30 0.00 0.00 177.93 176.65 1jd4 h ALA 284 N -1.08 1.35 0.68 5.26 0.00 -0.51 0.21 119.26 125.17 1jd4 h ALA 284 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jd4 h ALA 284 Cb 0.71 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jd4 h ALA 284 CO -0.05 0.18 -0.32 1.25 0.00 0.00 0.00 179.25 180.30 1jd4 h LEU 285 N 0.91 -0.77 0.11 0.00 6.46 -0.36 -3.04 115.31 118.62 1jd4 h LEU 285 Ca 0.45 -0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.88 1jd4 h LEU 285 Cb 0.42 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1jd4 h LEU 285 CO -0.25 -0.44 -1.64 -0.50 -0.62 0.00 0.00 178.44 174.99 1jd4 h TRP 286 N -1.09 0.41 -2.09 1.25 4.06 -1.14 -3.38 115.95 113.96 1jd4 h TRP 286 Ca -0.09 -0.30 -0.70 0.00 2.06 0.00 0.00 58.89 59.86 1jd4 h TRP 286 Cb 0.73 -0.02 -0.34 0.00 -1.00 0.00 0.00 29.16 28.53 1jd4 h TRP 286 CO -0.00 1.41 0.24 1.28 -3.56 0.00 0.00 178.44 177.81 1jd4 n LEU 287 N -3.41 6.09 0.27 -4.49 4.77 0.74 -4.85 117.00 116.11 1jd4 n LEU 287 Ca -0.19 -5.35 0.12 0.00 -0.03 0.00 0.00 56.01 50.56 1jd4 n LEU 287 Cb 1.05 -0.85 0.77 0.00 -2.33 0.00 0.00 43.42 42.06 1jd4 n LEU 287 CO 0.49 2.12 1.10 0.77 -1.33 0.00 0.00 177.39 180.54 1jd4 h SER 288 N 3.34 0.00 -0.24 -1.43 4.64 -1.62 -2.53 113.55 115.70 1jd4 h SER 288 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1jd4 h SER 288 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1jd4 h SER 288 CO 1.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.02 1jd4 n GLN 289 N -4.20 1.55 -2.45 4.77 1.13 -1.26 -4.90 117.38 112.03 1jd4 n GLN 289 Ca -0.03 -0.85 -0.43 0.00 -1.94 0.00 0.00 57.00 53.76 1jd4 n GLN 289 Cb 0.11 -1.18 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 1jd4 n GLN 289 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jd4 h ARG 291 N 9.12 0.00 -0.34 0.00 -0.00 -1.91 -2.25 114.38 119.00 1jd4 h ARG 291 Ca -0.26 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.11 1jd4 h ARG 291 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.06 1jd4 h ARG 291 CO 1.03 0.03 -0.24 0.35 0.00 0.00 0.00 179.97 181.14 1jd4 h PHE 292 N 0.00 0.89 0.20 3.04 3.57 -1.97 -1.63 116.94 121.05 1jd4 h PHE 292 Ca -0.00 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1jd4 h PHE 292 Cb 0.18 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1jd4 h PHE 292 CO 0.00 1.00 -0.10 0.28 -2.23 0.00 0.00 178.31 177.26 1jd4 h VAL 293 N 0.53 0.86 -0.97 1.41 2.07 -1.80 -1.45 116.25 116.91 1jd4 h VAL 293 Ca 0.06 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 67.39 1jd4 h VAL 293 Cb 0.81 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.57 1jd4 h VAL 293 CO 0.07 0.08 0.61 0.11 0.02 0.00 0.00 177.57 178.46 1jd4 h LYS 294 N -0.46 0.69 0.00 1.57 1.57 -1.47 0.71 116.57 119.17 1jd4 h LYS 294 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jd4 h LYS 294 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jd4 h LYS 294 CO 0.05 0.46 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.12 1jd4 h LEU 295 N 0.71 0.00 0.00 2.94 4.07 -1.06 -1.25 115.31 120.72 1jd4 h LEU 295 Ca 0.53 -0.05 -0.46 0.00 0.08 0.00 0.00 57.88 57.98 1jd4 h LEU 295 Cb 0.88 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.55 1jd4 h LEU 295 CO -0.29 0.02 -2.55 0.23 -1.08 0.00 0.00 178.44 174.78 1jd4 n MET 296 N -2.42 0.59 -0.07 1.13 2.81 -0.20 -4.75 117.12 114.20 1jd4 n MET 296 Ca 0.04 0.26 -0.13 0.00 -1.81 0.00 0.00 57.70 56.06 1jd4 n MET 296 Cb 0.46 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 31.34 1jd4 n MET 296 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jd4 n LYS 297 N -4.22 0.68 0.00 0.03 4.76 0.23 -5.09 118.16 114.55 1jd4 n LYS 297 Ca -0.54 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 1jd4 n LYS 297 Cb 0.89 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1jd4 n LYS 297 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jd4 n GLY 298 N 1.86 1.97 0.27 0.72 0.00 -0.47 -4.40 105.19 105.14 1jd4 n GLY 298 Ca -0.32 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.03 1jd4 n GLY 298 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jd4 h GLN 299 N 0.00 0.00 0.06 1.61 5.75 -1.89 -2.86 115.11 117.78 1jd4 h GLN 299 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jd4 h GLN 299 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1jd4 h GLN 299 CO 0.00 0.10 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.18 1jd4 h LEU 300 N 0.00 -0.07 -0.37 -2.39 3.38 -1.95 0.75 115.31 114.66 1jd4 h LEU 300 Ca -0.00 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jd4 h LEU 300 Cb 0.27 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1jd4 h LEU 300 CO 0.01 0.18 -0.24 0.22 0.09 0.00 0.00 178.44 178.71 1jd4 h TYR 301 N -0.32 -0.62 -0.14 1.13 3.20 -1.71 0.46 116.97 118.97 1jd4 h TYR 301 Ca -0.01 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1jd4 h TYR 301 Cb 0.28 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1jd4 h TYR 301 CO 0.01 -0.31 -0.18 0.82 -1.64 0.00 0.00 178.16 176.86 1jd4 h ILE 302 N -0.18 0.54 -0.64 1.81 2.04 -1.39 0.23 117.51 119.92 1jd4 h ILE 302 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1jd4 h ILE 302 Cb 0.46 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1jd4 h ILE 302 CO -0.48 0.00 0.30 0.44 0.00 0.00 0.00 178.15 178.42 1jd4 h ASP 303 N -0.22 0.39 0.38 1.72 3.32 0.79 0.21 116.42 123.02 1jd4 h ASP 303 Ca 0.10 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1jd4 h ASP 303 Cb 0.36 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1jd4 h ASP 303 CO -0.27 0.24 -0.18 0.74 -1.72 0.00 0.00 179.24 178.05 1jd4 h THR 304 N 0.54 0.64 -0.93 0.35 2.02 0.62 -1.43 112.91 114.71 1jd4 h THR 304 Ca 0.31 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1jd4 h THR 304 Cb 0.30 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1jd4 h THR 304 CO -0.25 0.02 0.61 0.58 0.37 0.00 0.00 175.52 176.86 1jd4 h VAL 305 N -0.57 1.11 0.00 3.16 2.07 -0.12 0.43 116.25 122.32 1jd4 h VAL 305 Ca -0.05 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1jd4 h VAL 305 Cb 0.43 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1jd4 h VAL 305 CO 0.09 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.84 1jd4 h ALA 306 N 1.48 1.05 0.01 1.67 0.00 -0.17 -3.08 119.26 120.23 1jd4 h ALA 306 Ca 0.39 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.92 1jd4 h ALA 306 Cb 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1jd4 h ALA 306 CO -0.14 0.05 -2.09 0.00 0.00 0.00 0.00 179.25 177.07 1jd4 n ALA 307 N -2.13 1.42 -1.48 0.00 0.00 -0.05 -5.00 120.51 113.26 1jd4 n ALA 307 Ca -0.01 -1.01 -0.53 0.00 0.00 0.00 0.00 53.44 51.90 1jd4 n ALA 307 Cb 0.25 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 1jd4 n ALA 307 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jd4 n LYS 308 N -3.01 0.25 0.17 0.00 5.02 -0.08 -4.93 118.16 115.59 1jd4 n LYS 308 Ca -0.28 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1jd4 n LYS 308 Cb 1.09 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.65 1jd4 n LYS 308 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1jd4 h PRO 309 N 2.37 -0.46 0.00 1.97 0.13 -1.92 -3.50 132.00 130.59 1jd4 h PRO 309 Ca -0.41 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jd4 h PRO 309 Cb 1.41 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.65 1jd4 h PRO 309 CO 0.63 -0.31 0.00 1.55 -0.23 0.00 0.00 178.00 179.65