#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gmj s PRO 258 N 0.00 3.53 0.23 3.49 0.05 -1.26 -4.99 135.00 136.06 3gmj s PRO 258 Ca 0.00 -0.23 -0.09 0.00 0.05 0.00 0.00 61.00 60.72 3gmj s PRO 258 Cb 0.00 -2.69 0.36 0.00 0.05 0.00 0.00 34.50 32.22 3gmj s PRO 258 CO 0.00 0.22 1.63 0.00 0.05 0.00 0.00 177.00 178.90 3gmj h ALA 259 N 1.27 0.65 -3.62 8.56 0.00 -1.99 -3.41 119.26 120.72 3gmj h ALA 259 Ca -0.49 0.24 -0.46 0.00 0.00 0.00 0.00 54.91 54.21 3gmj h ALA 259 Cb 1.20 0.44 -0.23 0.00 0.00 0.00 0.00 17.79 19.21 3gmj h ALA 259 CO 0.64 -0.42 -0.80 -0.06 0.00 0.00 0.00 179.25 178.61 3gmj s PHE 260 N -6.16 1.36 -0.07 0.00 0.08 -1.26 -4.81 117.98 107.12 3gmj s PHE 260 Ca -0.14 -0.41 0.13 0.00 0.12 0.00 0.00 56.93 56.63 3gmj s PHE 260 Cb 0.21 -0.78 -0.08 0.00 -0.57 0.00 0.00 43.02 41.80 3gmj s PHE 260 CO 0.75 0.08 1.18 0.11 -0.10 0.00 0.00 175.22 177.23 3gmj h TRP 261 N 4.52 0.00 -3.27 0.36 5.08 -1.76 -3.42 115.95 117.46 3gmj h TRP 261 Ca -0.41 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.54 3gmj h TRP 261 Cb 1.18 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.24 3gmj h TRP 261 CO 0.58 0.70 0.05 0.00 -1.28 0.00 0.00 178.44 178.49 3gmj s ALA 262 N -2.85 -1.00 0.01 0.11 0.00 -1.26 -0.44 121.76 116.34 3gmj s ALA 262 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3gmj s ALA 262 Cb 0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 3gmj s ALA 262 CO 0.79 -0.81 -0.04 -1.54 0.00 0.00 0.00 175.76 174.15 3gmj s SER 263 N -2.87 0.46 -0.10 0.00 1.04 -0.67 -1.61 113.70 109.95 3gmj s SER 263 Ca 0.09 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3gmj s SER 263 Cb -0.01 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3gmj s SER 263 CO -0.03 -0.07 -0.23 -0.63 0.98 0.00 0.00 173.24 173.26 3gmj s ILE 264 N -0.59 1.97 -0.08 -1.02 1.01 0.39 -0.71 121.20 122.17 3gmj s ILE 264 Ca -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3gmj s ILE 264 Cb -0.05 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3gmj s ILE 264 CO -0.00 0.54 -0.12 0.00 0.00 0.00 0.00 174.94 175.35 3gmj s ALA 265 N 0.38 2.71 -0.12 9.38 0.00 0.52 -0.18 121.76 134.46 3gmj s ALA 265 Ca -0.18 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.79 3gmj s ALA 265 Cb -0.18 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 3gmj s ALA 265 CO 0.08 0.46 0.07 -0.47 0.00 0.00 0.00 175.76 175.91 3gmj s TYR 266 N -0.41 3.36 0.08 0.00 5.04 -1.26 -0.12 117.35 124.03 3gmj s TYR 266 Ca 0.05 0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.05 3gmj s TYR 266 Cb -0.12 -1.92 -0.03 0.00 0.35 0.00 0.00 41.96 40.23 3gmj s TYR 266 CO 0.02 0.50 -0.16 0.71 -1.34 0.00 0.00 175.55 175.29 3gmj s TYR 267 N -0.63 1.34 -0.23 4.97 2.02 0.39 -0.15 117.35 125.06 3gmj s TYR 267 Ca 0.12 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3gmj s TYR 267 Cb -0.12 -0.75 0.04 0.00 -0.40 0.00 0.00 41.96 40.73 3gmj s TYR 267 CO 0.02 0.09 -0.12 -1.21 -1.57 0.00 0.00 175.55 172.76 3gmj s GLU 268 N -1.77 2.68 7.50 -0.62 2.02 -0.89 -1.58 118.70 126.03 3gmj s GLU 268 Ca -0.00 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.93 3gmj s GLU 268 Cb -0.10 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3gmj s GLU 268 CO 0.03 -0.40 0.00 1.28 0.02 0.00 0.00 175.26 176.19 3gmj n LEU 269 N 4.58 0.00 -2.44 1.80 4.77 -0.89 -2.57 117.00 122.25 3gmj n LEU 269 Ca -0.17 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 3gmj n LEU 269 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3gmj n LEU 269 CO 0.25 0.00 0.91 -0.46 -1.33 0.00 0.00 177.39 176.76 3gmj n ASN 270 N 4.32 6.37 -3.86 -1.43 0.23 -1.23 -4.60 115.26 115.06 3gmj n ASN 270 Ca 0.00 -3.78 -0.24 0.00 -0.53 0.00 0.00 54.58 50.03 3gmj n ASN 270 Cb 0.00 -0.74 -0.17 0.00 -2.08 0.00 0.00 39.78 36.79 3gmj n ASN 270 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gmj n ARG 272 N 4.75 2.19 -3.93 0.00 5.12 -1.26 -2.10 116.66 121.43 3gmj n ARG 272 Ca -0.14 0.77 -0.23 0.00 -1.93 0.00 0.00 57.85 56.33 3gmj n ARG 272 Cb 0.50 -2.44 -0.17 0.00 -1.16 0.00 0.00 32.46 29.19 3gmj n ARG 272 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3gmj s VAL 273 N -1.14 0.55 0.07 1.55 1.01 0.79 -4.84 120.40 118.39 3gmj s VAL 273 Ca 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3gmj s VAL 273 Cb -0.52 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3gmj s VAL 273 CO 0.61 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3gmj n GLY 274 N 4.74 -1.54 3.85 4.51 0.00 -1.26 -4.17 105.19 111.31 3gmj n GLY 274 Ca -0.14 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3gmj n GLY 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gmj s GLU 275 N -1.46 3.36 0.53 1.61 2.02 -1.26 -4.82 118.70 118.67 3gmj s GLU 275 Ca 0.00 0.83 -0.20 0.00 0.02 0.00 0.00 54.97 55.62 3gmj s GLU 275 Cb 0.00 -2.05 -0.06 0.00 0.10 0.00 0.00 34.13 32.12 3gmj s GLU 275 CO 0.00 -0.76 1.12 0.08 0.02 0.00 0.00 175.26 175.72 3gmj s VAL 276 N -3.13 3.23 -0.13 2.63 1.01 -1.26 -4.72 120.40 118.03 3gmj s VAL 276 Ca 0.56 0.78 -0.06 0.00 0.00 0.00 0.00 61.98 63.27 3gmj s VAL 276 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3gmj s VAL 276 CO 0.54 -0.15 0.07 -0.36 0.00 0.00 0.00 175.10 175.20 3gmj s PHE 277 N -1.77 3.34 -0.16 5.22 0.08 0.75 -4.94 117.98 120.49 3gmj s PHE 277 Ca 0.71 0.27 -0.00 0.00 0.12 0.00 0.00 56.93 58.03 3gmj s PHE 277 Cb -0.23 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 3gmj s PHE 277 CO 0.27 0.45 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.69 3gmj s HIS 278 N -0.49 2.81 -0.28 0.36 3.76 -1.26 -0.46 115.29 119.72 3gmj s HIS 278 Ca 0.10 -1.07 -0.16 0.00 -0.15 0.00 0.00 55.06 53.78 3gmj s HIS 278 Cb -0.12 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 3gmj s HIS 278 CO 0.02 -0.51 0.41 0.00 -0.85 0.00 0.00 174.74 173.81 3gmj n ASN 280 N 5.41 0.26 -4.82 0.00 0.23 -1.26 -2.86 115.26 112.23 3gmj n ASN 280 Ca -0.07 0.11 -0.22 0.00 -0.53 0.00 0.00 54.58 53.87 3gmj n ASN 280 Cb 0.50 1.23 -0.04 0.00 -2.08 0.00 0.00 39.78 39.39 3gmj n ASN 280 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3gmj s ASN 281 N -5.09 5.22 0.00 0.53 -0.87 -1.26 -4.91 114.94 108.56 3gmj s ASN 281 Ca -0.07 -0.48 0.26 0.00 -1.57 0.00 0.00 52.86 51.01 3gmj s ASN 281 Cb 0.11 -1.04 1.30 0.00 -0.02 0.00 0.00 41.25 41.59 3gmj s ASN 281 CO 0.86 -0.24 1.89 0.59 -2.57 0.00 0.00 177.10 177.62 3gmj n ASN 282 N -1.26 0.00 -3.82 -1.22 3.02 -1.26 -4.47 115.26 106.24 3gmj n ASN 282 Ca -0.04 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 3gmj n ASN 282 Cb 0.59 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 39.28 3gmj n ASN 282 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3gmj s SER 283 N -2.65 3.54 0.27 6.41 0.15 -1.26 0.10 113.70 120.26 3gmj s SER 283 Ca 0.23 -1.16 0.11 0.00 0.70 0.00 0.00 55.95 55.82 3gmj s SER 283 Cb 0.18 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.54 3gmj s SER 283 CO 0.42 -0.31 -0.11 0.68 1.20 0.00 0.00 173.24 175.12 3gmj s VAL 284 N 1.61 2.92 -0.05 4.45 -7.23 0.03 -4.93 120.40 117.20 3gmj s VAL 284 Ca -0.00 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.03 3gmj s VAL 284 Cb -0.18 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.25 3gmj s VAL 284 CO -0.11 -0.36 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.63 3gmj s ILE 285 N -2.36 0.67 -0.17 -0.62 1.01 -0.62 -0.16 121.20 118.96 3gmj s ILE 285 Ca 0.30 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 3gmj s ILE 285 Cb -0.06 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 3gmj s ILE 285 CO 0.17 0.25 -0.01 -0.69 0.00 0.00 0.00 174.94 174.67 3gmj s VAL 286 N 0.85 4.13 0.31 2.92 1.01 -0.25 0.94 120.40 130.31 3gmj s VAL 286 Ca -0.12 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3gmj s VAL 286 Cb -0.15 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 3gmj s VAL 286 CO 0.01 0.47 0.33 -0.90 0.00 0.00 0.00 175.10 175.01 3gmj n ASP 287 N 3.65 -0.87 -0.78 3.32 5.68 -0.28 -0.98 116.55 126.29 3gmj n ASP 287 Ca -0.17 -2.89 0.09 0.00 -0.50 0.00 0.00 54.79 51.32 3gmj n ASP 287 Cb 0.52 1.82 0.26 0.00 -1.14 0.00 0.00 41.12 42.58 3gmj n ASP 287 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gmj n GLY 288 N -0.56 0.91 0.65 6.12 0.00 -0.36 0.62 105.19 112.58 3gmj n GLY 288 Ca 0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3gmj n GLY 288 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gmj n PHE 289 N 0.74 -3.40 -1.05 1.61 3.72 -1.26 -2.80 117.46 115.01 3gmj n PHE 289 Ca 0.16 -0.28 0.10 0.00 -0.05 0.00 0.00 57.45 57.37 3gmj n PHE 289 Cb 0.39 -0.13 0.17 0.00 -0.94 0.00 0.00 39.48 38.97 3gmj n PHE 289 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gmj n THR 290 N -1.72 2.00 -2.44 4.37 -2.24 -1.26 0.04 114.28 113.03 3gmj n THR 290 Ca 0.03 -2.17 -0.43 0.00 -2.27 0.00 0.00 64.05 59.21 3gmj n THR 290 Cb 0.10 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 3gmj n THR 290 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gmj s ASN 291 N -2.63 6.51 0.15 3.42 2.47 -1.26 -4.75 114.94 118.85 3gmj s ASN 291 Ca 0.35 0.81 0.25 0.00 0.42 0.00 0.00 52.86 54.69 3gmj s ASN 291 Cb 0.30 -2.54 0.93 0.00 -1.45 0.00 0.00 41.25 38.48 3gmj s ASN 291 CO 0.05 -1.29 1.75 -2.65 -3.72 0.00 0.00 177.10 171.24 3gmj n PRO 292 N 7.82 0.15 -1.60 0.43 -0.02 -1.26 -4.46 135.00 136.06 3gmj n PRO 292 Ca 0.15 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 3gmj n PRO 292 Cb 0.48 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 3gmj n PRO 292 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gmj s SER 293 N -3.90 4.51 0.41 2.55 0.15 -1.26 -4.74 113.70 111.43 3gmj s SER 293 Ca 0.09 1.04 0.22 0.00 0.70 0.00 0.00 55.95 58.01 3gmj s SER 293 Cb 0.13 -2.50 0.38 0.00 -1.71 0.00 0.00 66.02 62.32 3gmj s SER 293 CO 0.49 -2.83 1.61 0.78 1.20 0.00 0.00 173.24 174.49 3gmj h ASN 294 N 19.17 0.00 -0.86 5.45 2.35 -1.85 -3.28 115.58 136.55 3gmj h ASN 294 Ca -0.25 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.70 3gmj h ASN 294 Cb 1.26 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.47 3gmj h ASN 294 CO 1.16 0.12 -0.11 0.78 -1.65 0.00 0.00 177.43 177.73 3gmj h ASN 295 N 0.00 -0.62 0.00 5.81 2.35 -1.95 -3.41 115.58 117.77 3gmj h ASN 295 Ca -0.00 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3gmj h ASN 295 Cb 1.04 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.88 3gmj h ASN 295 CO 0.02 -0.27 0.00 -1.54 -1.65 0.00 0.00 177.43 173.98 3gmj n SER 296 N -5.49 0.00 -0.95 5.81 3.41 -1.24 -4.99 113.62 110.17 3gmj n SER 296 Ca 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.80 3gmj n SER 296 Cb 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.53 3gmj n SER 296 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gmj n ASP 297 N 0.00 1.04 -4.33 4.04 8.00 -1.26 -4.85 116.55 119.19 3gmj n ASP 297 Ca 0.00 -2.49 -0.37 0.00 0.71 0.00 0.00 54.79 52.64 3gmj n ASP 297 Cb 0.00 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 3gmj n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gmj s ARG 298 N -0.92 3.02 -0.91 -1.24 0.52 -1.26 -1.58 118.95 116.57 3gmj s ARG 298 Ca 0.27 -0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 54.42 3gmj s ARG 298 Cb 0.29 -3.38 0.19 0.00 0.52 0.00 0.00 34.95 32.57 3gmj s ARG 298 CO -0.09 -0.48 0.95 0.00 0.02 0.00 0.00 175.30 175.70 3gmj n LEU 301 N 6.21 0.60 0.08 0.00 4.32 0.20 -4.14 117.00 124.26 3gmj n LEU 301 Ca 0.08 0.24 -0.02 0.00 -0.02 0.00 0.00 56.01 56.29 3gmj n LEU 301 Cb 0.47 -0.25 0.22 0.00 -1.62 0.00 0.00 43.42 42.25 3gmj n LEU 301 CO 0.50 -0.02 0.67 1.23 -1.22 0.00 0.00 177.39 178.55 3gmj h GLY 302 N 4.68 0.33 1.18 -0.72 0.00 -0.22 -2.94 103.07 105.38 3gmj h GLY 302 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 47.33 46.81 3gmj h GLY 302 CO 0.00 0.27 -0.77 0.06 0.00 0.00 0.00 176.54 176.10 3gmj h GLN 303 N 0.26 0.80 -6.32 4.80 3.07 -1.71 -3.46 115.11 112.56 3gmj h GLN 303 Ca 0.03 -0.65 -0.66 0.00 0.09 0.00 0.00 58.65 57.46 3gmj h GLN 303 Cb 0.77 0.13 0.05 0.00 0.08 0.00 0.00 27.48 28.51 3gmj h GLN 303 CO 0.06 1.26 0.67 1.28 0.09 0.00 0.00 178.83 182.19 3gmj n LEU 304 N -3.94 2.32 -4.92 0.06 4.77 -1.11 -4.96 117.00 109.23 3gmj n LEU 304 Ca -0.07 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.72 3gmj n LEU 304 Cb 0.74 -1.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 3gmj n LEU 304 CO 0.53 -0.65 -0.13 -0.44 -1.33 0.00 0.00 177.39 175.36 3gmj s SER 305 N 1.38 6.24 -0.29 -1.43 0.01 -1.26 -5.01 113.70 113.34 3gmj s SER 305 Ca 0.86 0.17 0.00 0.00 1.31 0.00 0.00 55.95 58.29 3gmj s SER 305 Cb -0.87 -1.87 0.18 0.00 0.21 0.00 0.00 66.02 63.68 3gmj s SER 305 CO 0.47 0.10 0.56 0.21 0.41 0.00 0.00 173.24 174.99 3gmj s ASN 306 N -2.96 -1.13 0.37 2.44 3.84 -1.26 -4.60 114.94 111.65 3gmj s ASN 306 Ca 0.34 0.60 0.15 0.00 0.21 0.00 0.00 52.86 54.16 3gmj s ASN 306 Cb -0.12 1.95 0.73 0.00 -0.55 0.00 0.00 41.25 43.26 3gmj s ASN 306 CO 0.28 -0.28 1.80 0.58 -2.79 0.00 0.00 177.10 176.69 3gmj h VAL 307 N 6.03 1.17 0.00 -5.21 2.07 -2.03 -2.48 116.25 115.80 3gmj h VAL 307 Ca -0.18 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 3gmj h VAL 307 Cb 1.16 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3gmj h VAL 307 CO 0.24 0.38 -0.06 0.78 0.02 0.00 0.00 177.57 178.93 3gmj h ASN 308 N 0.00 0.00 -0.50 0.57 2.35 -2.04 -3.46 115.58 112.50 3gmj h ASN 308 Ca -0.00 0.00 -0.43 0.00 -0.55 0.00 0.00 56.30 55.32 3gmj h ASN 308 Cb 0.74 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.12 3gmj h ASN 308 CO 0.05 0.06 0.24 -1.14 -1.65 0.00 0.00 177.43 175.00 3gmj n ARG 309 N -4.16 0.00 -2.98 0.81 0.63 -0.94 -4.97 116.66 105.06 3gmj n ARG 309 Ca -0.03 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.72 3gmj n ARG 309 Cb 0.14 -0.76 0.03 0.00 0.45 0.00 0.00 32.46 32.33 3gmj n ARG 309 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3gmj s ASN 310 N 1.02 5.45 0.17 6.15 2.20 -1.26 -4.93 114.94 123.73 3gmj s ASN 310 Ca 0.51 -0.50 -0.19 0.00 -0.94 0.00 0.00 52.86 51.74 3gmj s ASN 310 Cb -0.72 -0.41 0.08 0.00 -2.00 0.00 0.00 41.25 38.20 3gmj s ASN 310 CO 0.37 -0.97 1.64 0.77 -2.94 0.00 0.00 177.10 175.97 3gmj h SER 311 N 0.45 -0.63 0.42 3.54 4.64 -2.00 -1.07 113.55 118.89 3gmj h SER 311 Ca -0.37 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3gmj h SER 311 Cb 1.28 0.34 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3gmj h SER 311 CO 0.44 -0.22 -0.12 0.00 -0.87 0.00 0.00 176.83 176.07 3gmj h THR 312 N -0.13 0.52 -0.00 2.95 1.03 -1.99 -2.15 112.91 113.14 3gmj h THR 312 Ca 0.18 -0.55 -0.06 0.00 -0.01 0.00 0.00 66.41 65.98 3gmj h THR 312 Cb 0.41 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 3gmj h THR 312 CO -0.45 0.11 -0.23 0.40 -0.01 0.00 0.00 175.52 175.35 3gmj h ILE 313 N 0.00 1.55 -0.99 0.00 2.04 -1.59 -2.44 117.51 116.08 3gmj h ILE 313 Ca -0.00 -1.95 0.14 0.00 1.00 0.00 0.00 64.86 64.06 3gmj h ILE 313 Cb 0.36 2.78 -0.09 0.00 -0.74 0.00 0.00 36.82 39.13 3gmj h ILE 313 CO 0.02 0.53 0.62 -0.33 0.00 0.00 0.00 178.15 178.98 3gmj h GLU 314 N -0.53 0.85 0.00 2.37 5.08 -0.96 -1.11 114.58 120.28 3gmj h GLU 314 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3gmj h GLU 314 Cb 0.99 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3gmj h GLU 314 CO 0.05 0.56 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.71 3gmj h ASN 315 N 0.88 -0.00 -0.93 1.42 4.21 -1.42 -3.05 115.58 116.69 3gmj h ASN 315 Ca 0.51 -0.42 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 3gmj h ASN 315 Cb 0.65 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.80 3gmj h ASN 315 CO -0.28 0.42 0.58 0.74 -1.29 0.00 0.00 177.43 177.59 3gmj h THR 316 N -0.42 1.25 -0.93 2.81 2.02 -1.14 -2.29 112.91 114.20 3gmj h THR 316 Ca -0.00 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 66.80 3gmj h THR 316 Cb 0.42 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 3gmj h THR 316 CO 0.00 0.26 0.60 0.03 0.37 0.00 0.00 175.52 176.77 3gmj h ARG 317 N 1.27 0.80 0.00 6.66 3.08 -1.15 0.10 114.38 125.14 3gmj h ARG 317 Ca 0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gmj h ARG 317 Cb -0.09 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.78 3gmj h ARG 317 CO -0.07 0.53 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 3gmj h ARG 318 N 0.82 0.00 -0.02 0.04 3.08 -1.30 -2.68 114.38 114.32 3gmj h ARG 318 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3gmj h ARG 318 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3gmj h ARG 318 CO -0.23 0.00 -0.43 0.72 -1.07 0.00 0.00 179.97 178.96 3gmj n HIS 319 N -2.81 0.00 -0.17 3.04 8.25 0.31 -4.19 115.22 119.65 3gmj n HIS 319 Ca 0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3gmj n HIS 319 Cb 0.26 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.41 3gmj n HIS 319 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3gmj h ILE 320 N 2.42 1.04 0.00 1.59 2.04 -1.06 -3.37 117.51 120.17 3gmj h ILE 320 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3gmj h ILE 320 Cb 0.73 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3gmj h ILE 320 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3gmj n GLY 321 N -1.24 3.88 0.00 5.37 0.00 -1.26 -0.98 105.19 110.96 3gmj n GLY 321 Ca 0.04 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3gmj n GLY 321 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gmj n LYS 322 N 14.00 0.78 0.00 1.61 5.02 -1.26 -1.22 118.16 137.09 3gmj n LYS 322 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3gmj n LYS 322 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3gmj n LYS 322 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gmj n GLY 323 N 0.79 3.41 3.24 0.72 0.00 -0.15 -4.43 105.19 108.77 3gmj n GLY 323 Ca 0.19 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3gmj n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gmj s VAL 324 N 0.00 1.77 -0.22 1.61 0.11 -0.15 -0.58 120.40 122.94 3gmj s VAL 324 Ca 0.00 -0.95 -0.09 0.00 -2.93 0.00 0.00 61.98 58.01 3gmj s VAL 324 Cb 0.00 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3gmj s VAL 324 CO 0.00 0.50 0.11 -2.28 -3.33 0.00 0.00 175.10 170.10 3gmj s HIS 325 N -0.44 3.26 -0.14 1.54 5.04 -0.28 -1.09 115.29 123.18 3gmj s HIS 325 Ca 0.06 0.08 0.01 0.00 -1.54 0.00 0.00 55.06 53.67 3gmj s HIS 325 Cb -0.09 -2.19 -0.00 0.00 0.04 0.00 0.00 32.58 30.33 3gmj s HIS 325 CO -0.00 0.04 -0.17 -0.51 -2.34 0.00 0.00 174.74 171.77 3gmj s LEU 326 N 0.87 2.43 -0.05 8.88 1.43 0.77 -0.54 118.68 132.46 3gmj s LEU 326 Ca 0.06 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3gmj s LEU 326 Cb -0.13 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3gmj s LEU 326 CO 0.03 0.10 -0.13 -0.47 0.23 0.00 0.00 176.35 176.11 3gmj s TYR 327 N 0.70 1.46 -0.45 0.29 6.04 -0.30 -0.79 117.35 124.31 3gmj s TYR 327 Ca -0.08 -0.48 -0.11 0.00 0.04 0.00 0.00 57.07 56.44 3gmj s TYR 327 Cb -0.16 -1.04 0.09 0.00 -1.04 0.00 0.00 41.96 39.81 3gmj s TYR 327 CO 0.02 -0.22 0.31 -0.47 -1.54 0.00 0.00 175.55 173.65 3gmj s TYR 328 N 0.41 3.33 0.43 4.97 6.14 0.28 -0.82 117.35 132.10 3gmj s TYR 328 Ca -0.10 -1.48 0.08 0.00 0.64 0.00 0.00 57.07 56.21 3gmj s TYR 328 Cb -0.13 -3.15 0.02 0.00 0.42 0.00 0.00 41.96 39.11 3gmj s TYR 328 CO 0.03 -0.88 0.59 0.54 0.64 0.00 0.00 175.55 176.47 3gmj s VAL 329 N 1.46 2.94 0.00 3.14 0.11 -0.04 -4.85 120.40 123.15 3gmj s VAL 329 Ca 0.04 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 3gmj s VAL 329 Cb -0.24 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 3gmj s VAL 329 CO 0.02 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.14 3gmj n THR 330 N -1.89 0.00 0.03 5.04 -2.24 -1.26 -1.89 114.28 112.07 3gmj n THR 330 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 3gmj n THR 330 Cb 0.59 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 3gmj n THR 330 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gmj n GLY 331 N 0.00 -1.19 3.78 3.38 0.00 -1.26 -4.99 105.19 104.91 3gmj n GLY 331 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3gmj n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gmj s GLU 332 N -3.25 4.11 -0.01 1.61 0.41 -0.79 -3.25 118.70 117.53 3gmj s GLU 332 Ca -0.05 1.55 0.05 0.00 -0.41 0.00 0.00 54.97 56.11 3gmj s GLU 332 Cb 0.11 -2.52 -0.01 0.00 -1.78 0.00 0.00 34.13 29.92 3gmj s GLU 332 CO 0.84 -0.20 -0.15 0.54 -0.49 0.00 0.00 175.26 175.80 3gmj s VAL 333 N -1.64 1.20 0.09 2.63 0.11 -0.10 -0.86 120.40 121.83 3gmj s VAL 333 Ca 0.59 -0.67 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 3gmj s VAL 333 Cb -0.23 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 3gmj s VAL 333 CO 0.29 0.32 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.86 3gmj s TYR 334 N -0.38 1.78 -0.16 1.54 2.02 0.00 -0.52 117.35 121.62 3gmj s TYR 334 Ca 0.06 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3gmj s TYR 334 Cb -0.06 -1.00 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3gmj s TYR 334 CO -0.00 0.18 -0.19 0.00 -1.57 0.00 0.00 175.55 173.96 3gmj s ALA 335 N -1.08 2.17 -0.22 3.71 0.00 0.08 -1.15 121.76 125.27 3gmj s ALA 335 Ca 0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3gmj s ALA 335 Cb -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3gmj s ALA 335 CO 0.04 -0.29 -0.03 -2.00 0.00 0.00 0.00 175.76 173.48 3gmj s GLU 336 N 1.23 3.43 -0.13 0.00 2.12 0.30 -2.00 118.70 123.65 3gmj s GLU 336 Ca 0.02 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 3gmj s GLU 336 Cb -0.13 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 3gmj s GLU 336 CO -0.10 -0.17 1.15 0.00 -0.54 0.00 0.00 175.26 175.60 3gmj n LEU 338 N 5.80 0.00 -4.33 0.00 4.32 -0.06 -1.79 117.00 120.93 3gmj n LEU 338 Ca 0.12 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.69 3gmj n LEU 338 Cb 0.46 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 3gmj n LEU 338 CO 0.54 0.06 -0.34 -0.24 -1.22 0.00 0.00 177.39 176.19 3gmj n SER 339 N -1.93 -2.51 0.24 -1.43 2.88 0.26 -4.40 113.62 106.73 3gmj n SER 339 Ca -0.05 0.82 0.13 0.00 -1.33 0.00 0.00 58.87 58.44 3gmj n SER 339 Cb 0.37 -0.93 0.45 0.00 -0.75 0.00 0.00 64.21 63.35 3gmj n SER 339 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gmj h ASP 340 N 0.38 0.00 -1.45 -3.46 3.32 -1.77 -3.42 116.42 110.01 3gmj h ASP 340 Ca -0.38 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.22 3gmj h ASP 340 Cb 1.44 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.02 3gmj h ASP 340 CO 0.47 0.11 -0.13 -0.44 -1.72 0.00 0.00 179.24 177.54 3gmj s SER 341 N -6.02 5.25 0.81 6.45 0.01 -1.26 -4.75 113.70 114.19 3gmj s SER 341 Ca 0.03 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 3gmj s SER 341 Cb 0.08 -0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.12 3gmj s SER 341 CO 0.62 -1.15 1.18 0.00 0.41 0.00 0.00 173.24 174.29 3gmj s ALA 342 N -2.62 2.61 0.13 1.44 0.00 -1.26 -4.39 121.76 117.68 3gmj s ALA 342 Ca 0.59 -0.64 0.08 0.00 0.00 0.00 0.00 51.96 51.99 3gmj s ALA 342 Cb -0.08 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3gmj s ALA 342 CO 0.37 -1.70 -0.18 0.96 0.00 0.00 0.00 175.76 175.21 3gmj s ILE 343 N -3.56 1.65 -0.23 0.00 -4.36 -0.94 -1.32 121.20 112.43 3gmj s ILE 343 Ca 0.62 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 3gmj s ILE 343 Cb -0.11 -1.65 0.06 0.00 1.25 0.00 0.00 42.46 42.01 3gmj s ILE 343 CO 0.49 -0.25 -0.06 -0.36 0.24 0.00 0.00 174.94 175.00 3gmj s PHE 344 N -1.76 2.45 -0.11 1.37 0.40 -0.40 0.11 117.98 120.05 3gmj s PHE 344 Ca 0.10 -1.78 -0.07 0.00 -0.60 0.00 0.00 56.93 54.58 3gmj s PHE 344 Cb -0.07 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3gmj s PHE 344 CO 0.05 -0.78 0.16 0.08 0.70 0.00 0.00 175.22 175.43 3gmj s VAL 345 N 1.38 5.48 -0.40 -0.44 1.01 -0.33 -1.38 120.40 125.72 3gmj s VAL 345 Ca -0.06 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3gmj s VAL 345 Cb -0.19 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 32.88 3gmj s VAL 345 CO -0.06 0.60 0.12 -1.58 0.00 0.00 0.00 175.10 174.19 3gmj s GLN 346 N -1.08 1.63 -0.47 2.72 0.74 -0.12 -0.71 119.66 122.38 3gmj s GLN 346 Ca 0.16 -2.12 0.00 0.00 0.05 0.00 0.00 55.36 53.45 3gmj s GLN 346 Cb -0.12 -3.21 0.12 0.00 1.10 0.00 0.00 33.01 30.90 3gmj s GLN 346 CO 0.05 -1.00 0.24 0.45 -0.55 0.00 0.00 175.29 174.48 3gmj s SER 347 N 0.50 4.96 0.44 6.67 0.15 -1.26 -2.96 113.70 122.20 3gmj s SER 347 Ca 0.13 -2.44 0.25 0.00 0.70 0.00 0.00 55.95 54.58 3gmj s SER 347 Cb -0.21 -1.75 1.26 0.00 -1.71 0.00 0.00 66.02 63.60 3gmj s SER 347 CO -0.06 -0.41 1.76 0.03 1.20 0.00 0.00 173.24 175.77 3gmj h ARG 348 N 7.41 0.25 0.27 5.44 3.08 -1.82 0.48 114.38 129.49 3gmj h ARG 348 Ca -0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3gmj h ARG 348 Cb 0.99 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3gmj h ARG 348 CO 0.66 0.16 -0.22 -0.97 -1.07 0.00 0.00 179.97 178.53 3gmj h ASN 349 N 0.25 -0.57 0.28 7.04 -0.73 -1.85 -2.57 115.58 117.43 3gmj h ASN 349 Ca 0.61 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.83 3gmj h ASN 349 Cb 1.84 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 40.59 3gmj h ASN 349 CO -0.24 -0.33 -0.32 0.00 -0.37 0.00 0.00 177.43 176.17 3gmj n ASN 351 N -5.43 0.23 0.00 0.00 3.02 -0.03 -2.08 115.26 110.97 3gmj n ASN 351 Ca -0.09 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3gmj n ASN 351 Cb 0.33 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3gmj n ASN 351 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gmj n TYR 352 N 0.38 0.00 -0.30 3.10 4.19 -0.83 -3.08 117.16 120.61 3gmj n TYR 352 Ca 0.00 0.00 0.24 0.00 3.31 0.00 0.00 57.90 61.45 3gmj n TYR 352 Cb 0.06 0.09 0.55 0.00 0.49 0.00 0.00 39.34 40.53 3gmj n TYR 352 CO 0.00 0.00 0.00 0.37 0.91 0.00 0.00 176.86 178.14 3gmj h GLN 353 N 0.00 0.31 -0.15 2.98 4.15 -0.67 -1.17 115.11 120.56 3gmj h GLN 353 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3gmj h GLN 353 Cb 0.53 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3gmj h GLN 353 CO 0.00 0.20 0.00 0.72 -1.93 0.00 0.00 178.83 177.82 3gmj n HIS 354 N -4.53 0.18 -1.68 3.99 8.25 -1.03 -4.98 115.22 115.42 3gmj n HIS 354 Ca 0.24 -0.14 -0.17 0.00 -0.26 0.00 0.00 57.72 57.39 3gmj n HIS 354 Cb 0.91 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.96 3gmj n HIS 354 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gmj n GLY 355 N 0.86 1.22 3.80 -1.41 0.00 -0.44 -5.00 105.19 104.21 3gmj n GLY 355 Ca 0.11 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3gmj n GLY 355 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gmj s PHE 356 N -2.67 2.92 0.32 1.61 2.99 -1.18 -4.96 117.98 117.00 3gmj s PHE 356 Ca 0.00 1.52 -0.28 0.00 0.00 0.00 0.00 56.93 58.16 3gmj s PHE 356 Cb 0.00 -3.04 -0.13 0.00 0.00 0.00 0.00 43.02 39.85 3gmj s PHE 356 CO 0.00 -1.24 1.21 1.58 -0.00 0.00 0.00 175.22 176.77 3gmj n HIS 357 N -2.15 1.95 -0.08 0.36 -0.00 -1.26 -4.41 115.22 109.62 3gmj n HIS 357 Ca 0.09 0.59 -0.08 0.00 -0.00 0.00 0.00 57.72 58.33 3gmj n HIS 357 Cb 0.53 -2.37 -0.01 0.00 -0.00 0.00 0.00 29.99 28.14 3gmj n HIS 357 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gmj h PRO 358 N 2.51 -0.23 -0.21 1.57 0.11 -1.94 -1.26 132.00 132.55 3gmj h PRO 358 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gmj h PRO 358 Cb 1.30 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3gmj h PRO 358 CO 0.63 -0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.14 3gmj n SER 359 N -5.40 0.21 -4.66 -2.05 3.41 -1.26 -4.63 113.62 99.24 3gmj n SER 359 Ca 0.00 -1.38 -0.36 0.00 -0.26 0.00 0.00 58.87 56.87 3gmj n SER 359 Cb 0.31 -0.11 0.09 0.00 -0.26 0.00 0.00 64.21 64.24 3gmj n SER 359 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gmj n THR 360 N -0.30 3.46 -4.38 6.66 -1.04 -0.48 -5.02 114.28 113.18 3gmj n THR 360 Ca 0.00 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.05 61.33 3gmj n THR 360 Cb 0.05 -1.25 -0.17 0.00 -1.82 0.00 0.00 70.33 67.15 3gmj n THR 360 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gmj s VAL 361 N -1.70 1.49 -0.20 12.58 1.01 -1.26 -4.62 120.40 127.70 3gmj s VAL 361 Ca 0.77 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3gmj s VAL 361 Cb -0.35 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3gmj s VAL 361 CO 0.47 0.44 0.01 0.00 0.00 0.00 0.00 175.10 176.01 3gmj s LYS 363 N 0.99 4.54 -0.42 0.00 2.20 -1.26 -1.18 119.74 124.61 3gmj s LYS 363 Ca 0.02 1.23 -0.07 0.00 -0.36 0.00 0.00 55.97 56.79 3gmj s LYS 363 Cb -0.14 -3.42 0.09 0.00 -1.51 0.00 0.00 37.83 32.85 3gmj s LYS 363 CO 0.02 0.09 0.25 0.42 -0.36 0.00 0.00 175.35 175.77 3gmj s ILE 364 N 0.55 3.92 0.66 5.43 1.01 0.12 -4.98 121.20 127.90 3gmj s ILE 364 Ca 0.45 -1.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.30 3gmj s ILE 364 Cb -0.21 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 3gmj s ILE 364 CO 0.25 -0.58 1.15 -2.84 0.00 0.00 0.00 174.94 172.92 3gmj s PRO 365 N 1.33 2.71 0.48 2.79 0.02 -1.26 -2.21 135.00 138.86 3gmj s PRO 365 Ca 0.04 1.56 -0.20 0.00 0.02 0.00 0.00 61.00 62.42 3gmj s PRO 365 Cb -0.23 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.24 3gmj s PRO 365 CO -0.00 -1.35 0.42 -2.30 -0.33 0.00 0.00 177.00 173.43 3gmj n PRO 366 N -2.27 0.44 0.00 5.54 -0.02 -1.26 -0.47 135.00 136.96 3gmj n PRO 366 Ca 0.12 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3gmj n PRO 366 Cb 0.51 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3gmj n PRO 366 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gmj n GLY 367 N 1.91 1.62 3.95 -1.23 0.00 -0.74 -4.95 105.19 105.74 3gmj n GLY 367 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3gmj n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gmj s SER 369 N -4.65 0.63 -0.28 0.00 0.15 -1.26 -1.96 113.70 106.33 3gmj s SER 369 Ca 0.64 -1.31 -0.25 0.00 0.70 0.00 0.00 55.95 55.74 3gmj s SER 369 Cb -0.08 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.63 3gmj s SER 369 CO 0.46 -0.74 1.09 -0.22 1.20 0.00 0.00 173.24 175.03 3gmj s LEU 370 N -3.17 -0.39 -0.37 3.45 2.96 -0.85 -4.98 118.68 115.32 3gmj s LEU 370 Ca 0.32 0.75 -0.25 0.00 -0.22 0.00 0.00 54.13 54.74 3gmj s LEU 370 Cb 0.07 1.76 0.01 0.00 0.50 0.00 0.00 46.19 48.53 3gmj s LEU 370 CO 0.09 -0.13 0.87 -0.75 -1.32 0.00 0.00 176.35 175.11 3gmj s LYS 371 N 0.25 3.78 0.01 1.98 2.20 -1.26 -0.74 119.74 125.95 3gmj s LYS 371 Ca 0.03 0.45 0.22 0.00 -0.36 0.00 0.00 55.97 56.31 3gmj s LYS 371 Cb -0.05 -3.81 -0.11 0.00 -1.51 0.00 0.00 37.83 32.34 3gmj s LYS 371 CO -0.08 -0.93 0.89 0.44 -0.36 0.00 0.00 175.35 175.31 3gmj n ILE 372 N 5.94 0.06 -3.68 5.43 -5.35 0.32 -4.87 119.36 117.21 3gmj n ILE 372 Ca 0.05 -0.18 -0.09 0.00 -0.27 0.00 0.00 62.75 62.26 3gmj n ILE 372 Cb 0.48 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.77 3gmj n ILE 372 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3gmj s PHE 373 N -3.17 -0.75 -0.24 4.28 5.36 -1.08 -4.13 117.98 118.25 3gmj s PHE 373 Ca 0.03 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 3gmj s PHE 373 Cb 0.15 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.23 3gmj s PHE 373 CO 0.84 -0.41 -0.08 1.21 -1.46 0.00 0.00 175.22 175.33 3gmj s ASN 374 N 1.59 4.16 0.29 6.13 3.04 -1.26 -0.92 114.94 127.97 3gmj s ASN 374 Ca -0.09 -0.79 -0.02 0.00 0.04 0.00 0.00 52.86 52.00 3gmj s ASN 374 Cb -0.08 -1.65 0.44 0.00 -1.54 0.00 0.00 41.25 38.42 3gmj s ASN 374 CO -0.15 -0.10 1.92 0.78 -3.04 0.00 0.00 177.10 176.51 3gmj h ASN 375 N 8.01 0.87 -0.02 -4.21 2.35 -1.94 -2.89 115.58 117.74 3gmj h ASN 375 Ca -0.35 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.33 3gmj h ASN 375 Cb 1.12 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3gmj h ASN 375 CO 0.58 0.71 -0.13 1.56 -1.65 0.00 0.00 177.43 178.50 3gmj h GLN 376 N 0.98 -0.14 -0.88 0.81 4.20 -1.95 0.01 115.11 118.14 3gmj h GLN 376 Ca 0.25 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.21 3gmj h GLN 376 Cb 0.04 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 27.70 3gmj h GLN 376 CO -0.04 -0.09 0.23 1.49 -0.67 0.00 0.00 178.83 179.74 3gmj h GLU 377 N -0.15 0.19 -0.21 1.46 4.57 -1.98 -1.03 114.58 117.44 3gmj h GLU 377 Ca 0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3gmj h GLU 377 Cb 0.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3gmj h GLU 377 CO -0.10 0.12 0.10 0.35 -1.18 0.00 0.00 179.01 178.30 3gmj h PHE 378 N 0.19 0.30 0.18 0.92 -0.00 -1.20 -1.36 116.94 115.97 3gmj h PHE 378 Ca 0.56 -0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.52 3gmj h PHE 378 Cb 1.14 -0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.97 3gmj h PHE 378 CO -0.27 0.31 -0.23 0.00 -0.00 0.00 0.00 178.31 178.12 3gmj h ALA 379 N 0.96 -0.44 -0.26 2.41 0.00 0.31 0.67 119.26 122.90 3gmj h ALA 379 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gmj h ALA 379 Cb 0.13 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3gmj h ALA 379 CO -0.01 -0.78 -0.51 1.96 0.00 0.00 0.00 179.25 179.91 3gmj h GLN 380 N -0.47 -0.43 -0.93 0.00 4.20 -1.35 0.28 115.11 116.41 3gmj h GLN 380 Ca 0.01 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.90 3gmj h GLN 380 Cb 0.46 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 3gmj h GLN 380 CO -0.09 -0.29 0.59 -0.07 -0.67 0.00 0.00 178.83 178.31 3gmj h LEU 381 N -0.45 0.69 0.24 1.46 -0.00 -0.78 0.54 115.31 117.01 3gmj h LEU 381 Ca 0.05 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3gmj h LEU 381 Cb 0.58 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 3gmj h LEU 381 CO -0.48 0.33 -0.30 0.25 -0.00 0.00 0.00 178.44 178.24 3gmj h LEU 382 N 0.72 -0.82 0.44 1.67 5.85 0.16 -2.03 115.31 121.29 3gmj h LEU 382 Ca 0.48 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 3gmj h LEU 382 Cb 0.76 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3gmj h LEU 382 CO -0.24 -0.41 -0.37 0.28 -0.34 0.00 0.00 178.44 177.36 3gmj h SER 383 N -0.59 -0.98 -0.96 1.25 0.02 0.14 -3.02 113.55 109.41 3gmj h SER 383 Ca 0.00 0.08 0.22 0.00 -0.84 0.00 0.00 61.79 61.25 3gmj h SER 383 Cb 0.56 0.32 -0.08 0.00 0.14 0.00 0.00 62.40 63.34 3gmj h SER 383 CO -0.10 -0.53 0.63 1.56 -1.14 0.00 0.00 176.83 177.25 3gmj h GLN 384 N -0.81 0.43 -0.00 3.45 4.20 -0.00 0.23 115.11 122.61 3gmj h GLN 384 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3gmj h GLN 384 Cb 0.70 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3gmj h GLN 384 CO -0.02 0.28 -0.16 -1.13 -0.67 0.00 0.00 178.83 177.13 3gmj n SER 385 N -4.56 0.35 0.00 1.46 3.41 -0.77 -4.44 113.62 109.06 3gmj n SER 385 Ca 0.22 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3gmj n SER 385 Cb 0.74 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3gmj n SER 385 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gmj n VAL 386 N -1.21 0.00 0.44 -3.33 0.31 0.81 -1.78 118.33 113.57 3gmj n VAL 386 Ca 0.11 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 65.19 3gmj n VAL 386 Cb 0.30 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 3gmj n VAL 386 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3gmj n ASN 387 N -0.39 1.18 -0.48 4.52 6.94 -1.26 -2.06 115.26 123.71 3gmj n ASN 387 Ca 0.00 -0.88 0.10 0.00 -0.02 0.00 0.00 54.58 53.77 3gmj n ASN 387 Cb 0.00 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 3gmj n ASN 387 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3gmj n ASN 388 N 0.69 1.95 0.00 0.53 4.13 -0.73 -5.10 115.26 116.73 3gmj n ASN 388 Ca 0.00 -1.47 0.00 0.00 1.68 0.00 0.00 54.58 54.79 3gmj n ASN 388 Cb 0.20 0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 3gmj n ASN 388 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gmj n GLY 389 N 1.31 1.77 0.00 7.41 0.00 -0.88 -4.47 105.19 110.33 3gmj n GLY 389 Ca 0.09 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3gmj n GLY 389 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3gmj n PHE 390 N -0.33 0.00 -0.32 1.61 -0.00 -1.26 -2.93 117.46 114.22 3gmj n PHE 390 Ca 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.72 3gmj n PHE 390 Cb 0.00 -0.49 0.58 0.00 -0.00 0.00 0.00 39.48 39.57 3gmj n PHE 390 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3gmj h GLU 391 N 0.00 0.26 -0.21 -4.13 4.81 -1.95 0.33 114.58 113.69 3gmj h GLU 391 Ca 0.00 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3gmj h GLU 391 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3gmj h GLU 391 CO 0.00 0.17 0.18 0.00 -0.73 0.00 0.00 179.01 178.64 3gmj h ALA 392 N 1.57 1.98 0.00 2.92 0.00 -1.75 0.16 119.26 124.14 3gmj h ALA 392 Ca 0.59 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.26 3gmj h ALA 392 Cb 1.75 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 3gmj h ALA 392 CO -0.23 -0.29 -2.09 1.55 0.00 0.00 0.00 179.25 178.19 3gmj n VAL 393 N -4.10 0.89 0.15 0.00 3.14 0.93 -4.38 118.33 114.96 3gmj n VAL 393 Ca 0.02 -0.65 0.03 0.00 -2.96 0.00 0.00 64.34 60.78 3gmj n VAL 393 Cb 0.32 -0.39 0.42 0.00 -1.06 0.00 0.00 33.84 33.12 3gmj n VAL 393 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3gmj h TYR 394 N 0.00 0.17 -0.01 1.45 5.03 0.20 -1.84 116.97 121.98 3gmj h TYR 394 Ca -0.35 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.94 3gmj h TYR 394 Cb 1.76 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.99 3gmj h TYR 394 CO 0.00 0.31 0.00 0.39 -1.32 0.00 0.00 178.16 177.54 3gmj n GLU 395 N -4.28 1.04 0.00 1.82 -0.58 0.46 -2.99 120.64 116.10 3gmj n GLU 395 Ca -0.01 -0.06 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 3gmj n GLU 395 Cb 0.26 -1.38 0.48 0.00 -0.57 0.00 0.00 31.44 30.23 3gmj n GLU 395 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gmj n LEU 396 N -0.81 0.27 -0.14 -4.62 4.77 -0.69 -3.57 117.00 112.21 3gmj n LEU 396 Ca 0.18 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.33 3gmj n LEU 396 Cb 0.10 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3gmj n LEU 396 CO 0.14 0.06 0.86 0.74 -1.33 0.00 0.00 177.39 177.86 3gmj h THR 397 N 0.10 1.25 0.00 -5.08 2.02 -1.71 -0.12 112.91 109.37 3gmj h THR 397 Ca 0.00 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3gmj h THR 397 Cb 0.48 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3gmj h THR 397 CO 0.00 0.38 0.22 0.11 0.37 0.00 0.00 175.52 176.59 3gmj h LYS 398 N 0.80 0.00 0.00 6.66 1.57 -1.82 0.00 116.57 123.78 3gmj h LYS 398 Ca 0.15 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 3gmj h LYS 398 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3gmj h LYS 398 CO 0.02 0.00 -0.58 0.52 -0.57 0.00 0.00 179.45 178.84 3gmj h MET 399 N 0.00 0.00 -0.00 3.15 2.86 -1.22 -3.20 114.93 116.52 3gmj h MET 399 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gmj h MET 399 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3gmj h MET 399 CO 0.00 0.58 -0.20 0.00 1.06 0.00 0.00 176.91 178.36 3gmj s THR 401 N -2.65 3.64 -0.15 0.00 2.01 -1.20 -1.11 115.64 116.19 3gmj s THR 401 Ca 0.23 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.82 3gmj s THR 401 Cb 0.19 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3gmj s THR 401 CO 0.53 0.46 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.08 3gmj s ILE 402 N 0.84 2.03 0.14 1.82 1.01 -0.27 -4.64 121.20 122.13 3gmj s ILE 402 Ca -0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 3gmj s ILE 402 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3gmj s ILE 402 CO 0.02 0.54 0.32 -0.13 0.00 0.00 0.00 174.94 175.68 3gmj s ARG 403 N 0.94 3.49 -0.27 2.79 1.81 -1.16 -0.68 118.95 125.88 3gmj s ARG 403 Ca -0.04 -0.40 -0.16 0.00 -1.72 0.00 0.00 55.73 53.41 3gmj s ARG 403 Cb -0.15 -2.92 0.08 0.00 -0.45 0.00 0.00 34.95 31.51 3gmj s ARG 403 CO -0.05 0.49 0.67 1.41 -0.68 0.00 0.00 175.30 177.14 3gmj s MET 404 N -3.00 0.69 -0.02 3.54 -2.45 -0.53 -0.94 119.30 116.58 3gmj s MET 404 Ca 0.37 1.18 0.02 0.00 -1.25 0.00 0.00 55.69 56.01 3gmj s MET 404 Cb -0.12 0.14 -0.03 0.00 1.25 0.00 0.00 34.83 36.07 3gmj s MET 404 CO 0.28 -0.15 -0.07 0.45 1.05 0.00 0.00 175.02 176.58 3gmj s SER 405 N 1.56 4.59 -0.17 1.11 0.15 -0.48 -0.85 113.70 119.62 3gmj s SER 405 Ca -0.10 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.35 3gmj s SER 405 Cb -0.05 -1.09 -0.05 0.00 -1.71 0.00 0.00 66.02 63.12 3gmj s SER 405 CO -0.18 0.31 0.14 -0.36 1.20 0.00 0.00 173.24 174.35 3gmj s PHE 406 N -0.92 3.48 0.00 3.44 0.08 -0.19 -1.27 117.98 122.60 3gmj s PHE 406 Ca 0.15 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.61 3gmj s PHE 406 Cb -0.11 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 3gmj s PHE 406 CO 0.05 0.44 0.00 0.28 -0.10 0.00 0.00 175.22 175.89 3gmj n VAL 407 N 3.01 0.00 -2.95 -0.44 0.31 -0.44 -4.65 118.33 113.18 3gmj n VAL 407 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 3gmj n VAL 407 Cb 0.53 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.41 3gmj n VAL 407 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3gmj s LYS 408 N 0.00 4.50 0.75 5.55 -0.14 -1.26 -4.66 119.74 124.47 3gmj s LYS 408 Ca 0.00 1.08 -0.03 0.00 -1.36 0.00 0.00 55.97 55.66 3gmj s LYS 408 Cb 0.00 -3.40 0.13 0.00 -1.68 0.00 0.00 37.83 32.87 3gmj s LYS 408 CO 0.00 0.16 1.03 0.20 -0.76 0.00 0.00 175.35 175.98 3gmj s GLY 409 N 0.38 1.76 0.16 -3.33 0.00 -1.26 -4.83 107.32 100.19 3gmj s GLY 409 Ca 0.41 -1.56 -0.18 0.00 0.00 0.00 0.00 44.72 43.39 3gmj s GLY 409 CO 0.23 -0.99 0.48 0.66 0.00 0.00 0.00 173.10 173.47 3gmj s TRP 410 N -3.24 -0.22 0.00 1.90 -2.14 -1.26 -4.66 118.94 109.31 3gmj s TRP 410 Ca 0.66 -0.09 0.00 0.00 2.66 0.00 0.00 56.10 59.34 3gmj s TRP 410 Cb -0.06 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.66 3gmj s TRP 410 CO 0.45 -0.80 0.00 0.41 -2.66 0.00 0.00 176.95 174.35 3gmj n GLY 411 N -0.29 0.39 3.70 3.67 0.00 0.35 -4.79 105.19 108.23 3gmj n GLY 411 Ca -0.14 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3gmj n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gmj s ALA 412 N -1.86 3.62 0.00 4.61 0.00 -1.26 -2.25 121.76 124.61 3gmj s ALA 412 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3gmj s ALA 412 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3gmj s ALA 412 CO 0.00 -0.78 0.00 0.39 0.00 0.00 0.00 175.76 175.37 3gmj n GLU 413 N 4.56 0.00 -4.30 0.00 4.71 -1.26 -5.05 120.64 119.30 3gmj n GLU 413 Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 57.06 3gmj n GLU 413 Cb 0.42 -1.01 -0.12 0.00 -1.01 0.00 0.00 31.44 29.73 3gmj n GLU 413 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3gmj s TYR 414 N -2.78 1.75 0.11 -0.32 2.02 -0.95 -5.05 117.35 112.13 3gmj s TYR 414 Ca 0.00 -0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 56.13 3gmj s TYR 414 Cb 0.00 -0.91 -0.14 0.00 -0.40 0.00 0.00 41.96 40.50 3gmj s TYR 414 CO 0.00 0.26 1.30 1.25 -1.57 0.00 0.00 175.55 176.79 3gmj h HIS 415 N 3.61 1.03 -2.77 2.71 -0.00 -1.90 -3.43 115.15 114.40 3gmj h HIS 415 Ca -0.43 -0.47 -0.55 0.00 -0.00 0.00 0.00 60.37 58.92 3gmj h HIS 415 Cb 1.19 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 3gmj h HIS 415 CO 0.65 1.30 0.98 1.03 -0.00 0.00 0.00 177.93 181.88 3gmj s ARG 416 N -3.69 4.22 -0.21 5.26 0.52 -1.26 -4.91 118.95 118.88 3gmj s ARG 416 Ca -0.10 1.96 -0.07 0.00 -0.52 0.00 0.00 55.73 57.00 3gmj s ARG 416 Cb 0.09 -3.84 -0.20 0.00 0.52 0.00 0.00 34.95 31.52 3gmj s ARG 416 CO 0.90 -0.75 0.03 1.04 0.02 0.00 0.00 175.30 176.54 3gmj n GLN 417 N 6.65 0.67 -3.58 3.54 1.13 -1.26 -0.49 117.38 124.03 3gmj n GLN 417 Ca 0.15 0.27 -0.30 0.00 -1.94 0.00 0.00 57.00 55.18 3gmj n GLN 417 Cb 0.44 -1.62 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 3gmj n GLN 417 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3gmj s ASP 418 N -6.91 6.49 0.39 1.08 -0.00 -1.26 -3.78 116.67 112.67 3gmj s ASP 418 Ca -0.30 0.64 0.16 0.00 -0.00 0.00 0.00 52.55 53.05 3gmj s ASP 418 Cb 0.09 -2.11 0.80 0.00 -0.00 0.00 0.00 42.92 41.70 3gmj s ASP 418 CO 0.64 -0.02 1.83 1.62 -0.00 0.00 0.00 175.17 179.24 3gmj h VAL 419 N 1.86 1.07 0.00 -1.27 3.04 -1.96 -1.24 116.25 117.74 3gmj h VAL 419 Ca -0.47 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 3gmj h VAL 419 Cb 1.17 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 3gmj h VAL 419 CO 0.70 0.34 0.00 0.35 -1.01 0.00 0.00 177.57 177.96 3gmj n THR 420 N -3.86 0.00 0.52 3.17 -2.24 -1.26 -1.21 114.28 109.41 3gmj n THR 420 Ca -0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3gmj n THR 420 Cb 0.42 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.91 3gmj n THR 420 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gmj n SER 421 N -0.83 0.53 -4.84 3.42 7.64 -0.47 -3.48 113.62 115.60 3gmj n SER 421 Ca 0.07 -0.52 -0.35 0.00 1.01 0.00 0.00 58.87 59.08 3gmj n SER 421 Cb 0.03 1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 64.63 3gmj n SER 421 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gmj s THR 422 N -3.24 4.81 -0.44 0.44 -4.23 -0.35 -4.92 115.64 107.71 3gmj s THR 422 Ca 0.01 0.86 0.23 0.00 -1.18 0.00 0.00 61.69 61.60 3gmj s THR 422 Cb 0.15 -3.73 0.20 0.00 1.34 0.00 0.00 72.50 70.46 3gmj s THR 422 CO 0.89 0.17 1.44 -0.65 -0.54 0.00 0.00 174.62 175.93 3gmj h PRO 423 N 3.33 0.00 -2.51 3.99 0.11 -1.90 -2.37 132.00 132.65 3gmj h PRO 423 Ca -0.48 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.19 3gmj h PRO 423 Cb 1.19 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 3gmj h PRO 423 CO 0.66 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.74 3gmj s TRP 425 N 2.22 0.52 0.06 0.00 1.48 -0.62 -1.02 118.94 121.58 3gmj s TRP 425 Ca 0.09 -0.93 0.04 0.00 -1.06 0.00 0.00 56.10 54.25 3gmj s TRP 425 Cb -0.15 -0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 31.89 3gmj s TRP 425 CO -0.34 -0.56 -0.13 0.96 -4.06 0.00 0.00 176.95 172.81 3gmj s ILE 426 N -3.96 0.99 -0.14 0.66 -4.36 -0.03 -0.46 121.20 113.90 3gmj s ILE 426 Ca 0.15 -1.18 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 3gmj s ILE 426 Cb 0.06 -0.95 -0.02 0.00 1.25 0.00 0.00 42.46 42.80 3gmj s ILE 426 CO -0.03 -0.21 -0.12 -0.70 0.24 0.00 0.00 174.94 174.12 3gmj s GLU 427 N -1.56 3.41 -0.13 0.37 2.12 0.82 -1.45 118.70 122.28 3gmj s GLU 427 Ca -0.03 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.63 3gmj s GLU 427 Cb -0.09 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 3gmj s GLU 427 CO 0.02 0.19 -0.12 0.42 -0.54 0.00 0.00 175.26 175.23 3gmj s ILE 428 N 0.42 3.20 -0.21 -3.70 1.01 0.14 -0.35 121.20 121.70 3gmj s ILE 428 Ca -0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3gmj s ILE 428 Cb -0.16 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3gmj s ILE 428 CO 0.05 0.52 -0.02 -1.00 0.00 0.00 0.00 174.94 174.49 3gmj s HIS 429 N 0.30 2.99 -0.36 3.97 3.76 0.11 -1.11 115.29 124.95 3gmj s HIS 429 Ca -0.09 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 53.86 3gmj s HIS 429 Cb -0.15 -2.11 0.02 0.00 1.11 0.00 0.00 32.58 31.44 3gmj s HIS 429 CO 0.05 -0.41 0.96 -0.51 -0.85 0.00 0.00 174.74 173.98 3gmj s LEU 430 N 1.30 3.97 0.18 0.89 2.01 -0.26 -1.68 118.68 125.10 3gmj s LEU 430 Ca 0.04 0.67 0.06 0.00 0.01 0.00 0.00 54.13 54.91 3gmj s LEU 430 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 46.19 42.77 3gmj s LEU 430 CO -0.00 -0.87 1.41 0.45 1.01 0.00 0.00 176.35 178.35 3gmj h HIS 431 N 8.42 0.12 0.37 0.29 3.86 -1.00 -2.54 115.15 124.66 3gmj h HIS 431 Ca -0.23 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 58.90 3gmj h HIS 431 Cb 1.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3gmj h HIS 431 CO 0.84 0.88 -0.18 0.78 0.86 0.00 0.00 177.93 181.11 3gmj h GLY 432 N 2.20 -0.52 -0.65 2.45 0.00 -1.84 -1.88 103.07 102.83 3gmj h GLY 432 Ca -0.02 0.19 0.33 0.00 0.00 0.00 0.00 47.33 47.83 3gmj h GLY 432 CO 0.12 -0.19 0.48 -2.55 0.00 0.00 0.00 176.54 174.40 3gmj h PRO 433 N -0.57 0.21 -0.14 4.80 0.11 -1.93 0.28 132.00 134.75 3gmj h PRO 433 Ca -0.05 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3gmj h PRO 433 Cb 0.38 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3gmj h PRO 433 CO 0.08 0.14 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.62 3gmj h LEU 434 N 0.21 0.28 0.08 2.35 3.38 -1.40 -2.60 115.31 117.61 3gmj h LEU 434 Ca 0.73 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.59 3gmj h LEU 434 Cb 1.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3gmj h LEU 434 CO -0.67 0.59 -0.04 1.56 0.09 0.00 0.00 178.44 179.97 3gmj h GLN 435 N 0.24 -0.11 -0.81 1.13 4.20 0.37 -2.76 115.11 117.38 3gmj h GLN 435 Ca 0.03 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.94 3gmj h GLN 435 Cb 0.69 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.35 3gmj h GLN 435 CO 0.05 0.44 -0.02 -1.49 -0.67 0.00 0.00 178.83 177.14 3gmj h TRP 436 N -0.81 -0.10 -0.30 2.96 6.55 -1.27 -0.53 115.95 122.45 3gmj h TRP 436 Ca -0.01 0.06 -0.04 0.00 0.95 0.00 0.00 58.89 59.85 3gmj h TRP 436 Cb 0.60 0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 29.05 3gmj h TRP 436 CO 0.13 -0.29 0.03 1.25 -1.05 0.00 0.00 178.44 178.51 3gmj h LEU 437 N 0.08 0.41 0.37 -4.49 5.85 -1.50 -3.01 115.31 113.01 3gmj h LEU 437 Ca 0.44 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 3gmj h LEU 437 Cb 0.79 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3gmj h LEU 437 CO -0.73 0.45 -0.18 -0.78 -0.34 0.00 0.00 178.44 176.86 3gmj h ASP 438 N 0.44 -0.43 -0.97 1.25 -0.00 -0.80 0.36 116.42 116.27 3gmj h ASP 438 Ca 0.10 -0.14 0.29 0.00 -0.00 0.00 0.00 57.03 57.28 3gmj h ASP 438 Cb 0.24 0.11 -0.18 0.00 -0.00 0.00 0.00 39.33 39.50 3gmj h ASP 438 CO 0.00 -0.02 0.16 0.11 -0.00 0.00 0.00 179.24 179.49 3gmj h LYS 439 N -0.91 0.04 0.55 0.28 6.56 -1.38 0.45 116.57 122.17 3gmj h LYS 439 Ca -0.05 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 3gmj h LYS 439 Cb 0.54 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.20 3gmj h LYS 439 CO 0.08 0.03 -0.27 0.28 -2.06 0.00 0.00 179.45 177.52 3gmj h VAL 440 N 0.04 0.14 -0.96 0.50 2.07 -1.42 -3.15 116.25 113.47 3gmj h VAL 440 Ca 0.64 -0.45 0.25 0.00 0.82 0.00 0.00 66.70 67.96 3gmj h VAL 440 Cb 1.40 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 31.25 3gmj h VAL 440 CO -0.85 0.03 0.49 -0.07 0.02 0.00 0.00 177.57 177.18 3gmj h LEU 441 N -1.13 0.46 0.15 2.57 3.38 0.10 -1.56 115.31 119.28 3gmj h LEU 441 Ca -0.08 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gmj h LEU 441 Cb 0.61 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3gmj h LEU 441 CO 0.12 -0.01 -0.07 0.74 0.09 0.00 0.00 178.44 179.31 3gmj h THR 442 N 0.42 0.88 0.00 0.22 2.02 -0.24 -2.13 112.91 114.08 3gmj h THR 442 Ca 0.63 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.70 3gmj h THR 442 Cb 1.27 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3gmj h THR 442 CO -0.54 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.37 3gmj n GLN 443 N -5.16 0.89 -2.24 6.66 6.02 -0.62 -4.75 117.38 118.18 3gmj n GLN 443 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.76 3gmj n GLN 443 Cb 0.13 -1.14 0.06 0.00 1.02 0.00 0.00 30.24 30.31 3gmj n GLN 443 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3gmj n MET 444 N -0.33 0.47 -4.22 -1.09 2.81 -0.80 -5.08 117.12 108.89 3gmj n MET 444 Ca 0.00 -2.11 -0.29 0.00 -1.81 0.00 0.00 57.70 53.50 3gmj n MET 444 Cb 0.07 -0.29 -0.09 0.00 -0.71 0.00 0.00 33.22 32.20 3gmj n MET 444 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gmj s GLY 445 N -4.05 1.78 0.71 3.03 0.00 -1.26 -5.05 107.32 102.48 3gmj s GLY 445 Ca 0.45 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.71 3gmj s GLY 445 CO 0.29 -1.29 0.75 -1.14 0.00 0.00 0.00 173.10 171.71 3gmj n SER 446 N 0.38 -0.32 -3.10 1.64 3.41 -1.26 -4.82 113.62 109.56 3gmj n SER 446 Ca -0.12 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3gmj n SER 446 Cb 0.53 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 3gmj n SER 446 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gmj n PRO 447 N -1.24 -0.69 0.00 4.33 -0.02 -1.26 -5.00 135.00 131.11 3gmj n PRO 447 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3gmj n PRO 447 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3gmj n PRO 447 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3gmj n HIS 448 N -2.44 0.00 -1.26 6.00 -0.00 -1.26 -4.91 115.22 111.35 3gmj n HIS 448 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 3gmj n HIS 448 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 3gmj n HIS 448 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3gmj n ASN 449 N 0.00 -0.11 -4.67 0.26 5.15 -1.26 -4.80 115.26 109.83 3gmj n ASN 449 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 3gmj n ASN 449 Cb 0.00 -0.70 0.05 0.00 -0.53 0.00 0.00 39.78 38.60 3gmj n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gmj n ALA 450 N 7.83 0.70 -2.78 5.20 0.00 -1.26 -4.99 120.51 125.22 3gmj n ALA 450 Ca 0.56 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.73 3gmj n ALA 450 Cb 0.05 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.22 3gmj n ALA 450 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gmj s ILE 451 N -1.42 4.65 0.41 0.00 2.07 -1.26 -5.09 121.20 120.57 3gmj s ILE 451 Ca 0.75 -0.54 -0.26 0.00 -1.41 0.00 0.00 60.65 59.19 3gmj s ILE 451 Cb -0.42 -3.17 -0.09 0.00 0.13 0.00 0.00 42.46 38.91 3gmj s ILE 451 CO 0.47 0.27 1.30 -0.55 -1.91 0.00 0.00 174.94 174.51 3gmj s SER 452 N -1.98 6.32 -0.64 4.50 0.15 -1.26 -4.94 113.70 115.85 3gmj s SER 452 Ca 0.25 2.64 -0.00 0.00 0.70 0.00 0.00 55.95 59.54 3gmj s SER 452 Cb -0.12 -2.64 0.43 0.00 -1.71 0.00 0.00 66.02 61.98 3gmj s SER 452 CO 0.17 -0.85 1.86 -1.54 1.20 0.00 0.00 173.24 174.09 3gmj n SER 453 N 0.12 7.11 0.00 5.45 3.41 -1.26 -4.47 113.62 123.98 3gmj n SER 453 Ca 0.04 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 3gmj n SER 453 Cb 0.44 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3gmj n SER 453 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gmj n VAL 454 N -0.79 0.00 0.00 -3.33 0.31 -1.26 -5.39 118.33 107.87 3gmj n VAL 454 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.90 3gmj n VAL 454 Cb 0.62 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 3gmj n VAL 454 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97