#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 4.00 0.21 3.49 0.05 -1.26 -5.01 135.00 136.48 3gmj s PRO 258 Ca 0.00 0.50 -0.15 0.00 0.05 0.00 0.00 61.00 61.41 3gmj s PRO 258 Cb 0.00 -3.18 0.22 0.00 0.05 0.00 0.00 34.50 31.60 3gmj s PRO 258 CO 0.00 0.64 1.61 0.00 0.05 0.00 0.00 177.00 179.31 3gmj h ALA 259 N 4.46 0.32 -3.91 8.56 0.00 -1.98 -3.40 119.26 123.30 3gmj h ALA 259 Ca -0.51 0.24 -0.55 0.00 0.00 0.00 0.00 54.91 54.09 3gmj h ALA 259 Cb 1.21 0.57 -0.25 0.00 0.00 0.00 0.00 17.79 19.32 3gmj h ALA 259 CO 0.63 -0.48 -0.83 -0.06 0.00 0.00 0.00 179.25 178.51 3gmj s PHE 260 N -6.18 1.68 -0.55 0.00 0.08 -1.26 -4.74 117.98 107.01 3gmj s PHE 260 Ca -0.14 -0.38 0.24 0.00 0.12 0.00 0.00 56.93 56.77 3gmj s PHE 260 Cb 0.19 -0.98 0.47 0.00 -0.57 0.00 0.00 43.02 42.12 3gmj s PHE 260 CO 0.73 0.10 1.56 0.11 -0.10 0.00 0.00 175.22 177.62 3gmj h TRP 261 N 4.70 0.00 -3.07 0.36 5.08 -1.64 -3.41 115.95 117.97 3gmj h TRP 261 Ca -0.42 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.51 3gmj h TRP 261 Cb 1.17 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.20 3gmj h TRP 261 CO 0.53 0.00 0.09 0.00 -1.28 0.00 0.00 178.44 177.78 3gmj s ALA 262 N -3.18 -1.33 0.02 0.11 0.00 -1.25 -1.95 121.76 114.17 3gmj s ALA 262 Ca 0.07 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.42 3gmj s ALA 262 Cb 0.09 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 3gmj s ALA 262 CO 0.67 -0.67 -0.11 -1.54 0.00 0.00 0.00 175.76 174.10 3gmj s SER 263 N -2.60 1.30 -0.09 0.00 1.04 -0.97 -0.99 113.70 111.41 3gmj s SER 263 Ca 0.00 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.11 3gmj s SER 263 Cb 0.00 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3gmj s SER 263 CO -0.10 0.03 -0.15 -0.63 0.98 0.00 0.00 173.24 173.36 3gmj s ILE 264 N -0.67 1.43 -0.13 -1.02 1.01 0.39 -1.25 121.20 120.97 3gmj s ILE 264 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3gmj s ILE 264 Cb -0.06 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3gmj s ILE 264 CO 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 174.94 175.33 3gmj s ALA 265 N 0.72 3.04 -0.08 9.38 0.00 0.32 -1.40 121.76 133.73 3gmj s ALA 265 Ca -0.13 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 3gmj s ALA 265 Cb -0.16 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3gmj s ALA 265 CO 0.03 0.35 0.36 -0.47 0.00 0.00 0.00 175.76 176.02 3gmj s TYR 266 N -0.07 3.59 0.06 0.00 5.04 -1.26 -0.27 117.35 124.45 3gmj s TYR 266 Ca 0.02 0.81 0.06 0.00 -2.44 0.00 0.00 57.07 55.52 3gmj s TYR 266 Cb -0.13 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.83 3gmj s TYR 266 CO 0.03 0.44 -0.17 0.71 -1.34 0.00 0.00 175.55 175.21 3gmj s TYR 267 N -0.28 1.50 -0.42 4.97 2.02 0.02 0.06 117.35 125.22 3gmj s TYR 267 Ca 0.21 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 3gmj s TYR 267 Cb -0.15 -0.87 0.12 0.00 -0.40 0.00 0.00 41.96 40.66 3gmj s TYR 267 CO 0.09 0.09 0.17 -1.21 -1.57 0.00 0.00 175.55 173.12 3gmj s GLU 268 N -1.43 1.50 5.27 -0.62 2.02 -0.35 -2.11 118.70 122.98 3gmj s GLU 268 Ca 0.03 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 52.98 3gmj s GLU 268 Cb -0.09 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.25 3gmj s GLU 268 CO 0.02 -1.05 0.00 1.28 0.02 0.00 0.00 175.26 175.53 3gmj n LEU 269 N 3.80 0.00 -2.62 1.80 4.77 -1.02 -2.91 117.00 120.82 3gmj n LEU 269 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 3gmj n LEU 269 Cb 0.37 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3gmj n LEU 269 CO 0.25 0.00 0.16 -0.46 -1.33 0.00 0.00 177.39 176.01 3gmj n ASN 270 N 9.38 4.47 -3.49 -1.43 0.23 -1.25 -4.27 115.26 118.90 3gmj n ASN 270 Ca 0.00 -3.66 -0.24 0.00 -0.53 0.00 0.00 54.58 50.15 3gmj n ASN 270 Cb 0.00 -0.49 -0.13 0.00 -2.08 0.00 0.00 39.78 37.08 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 5.28 0.84 -4.45 0.00 5.12 -1.26 -1.21 116.66 120.97 3gmj n ARG 272 Ca -0.05 0.30 -0.30 0.00 -1.93 0.00 0.00 57.85 55.88 3gmj n ARG 272 Cb 0.45 -1.91 -0.17 0.00 -1.16 0.00 0.00 32.46 29.67 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 0.40 1.68 0.26 1.55 1.01 0.11 -4.86 120.40 120.55 3gmj s VAL 273 Ca 0.86 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3gmj s VAL 273 Cb -1.04 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3gmj s VAL 273 CO 0.50 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.68 3gmj n GLY 274 N 4.25 -2.11 3.67 4.51 0.00 -1.26 -4.25 105.19 110.00 3gmj n GLY 274 Ca -0.19 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.39 -0.87 -0.05 1.61 2.02 -1.26 -4.78 118.70 112.98 3gmj s GLU 275 Ca 0.00 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.61 3gmj s GLU 275 Cb 0.00 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 3gmj s GLU 275 CO 0.00 -3.46 0.53 0.08 0.02 0.00 0.00 175.26 172.44 3gmj s VAL 276 N -3.23 5.04 -0.08 2.63 1.01 -1.26 -4.59 120.40 119.93 3gmj s VAL 276 Ca 0.72 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 3gmj s VAL 276 Cb -0.08 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3gmj s VAL 276 CO 0.55 0.39 0.36 -0.36 0.00 0.00 0.00 175.10 176.04 3gmj s PHE 277 N 0.10 3.60 -0.04 5.22 0.08 -0.50 -4.92 117.98 121.53 3gmj s PHE 277 Ca 0.29 0.81 0.03 0.00 0.12 0.00 0.00 56.93 58.17 3gmj s PHE 277 Cb -0.17 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 3gmj s PHE 277 CO 0.14 0.45 -0.11 -1.01 -0.10 0.00 0.00 175.22 174.59 3gmj s HIS 278 N -0.32 2.80 -0.38 0.36 3.76 -1.26 -0.46 115.29 119.78 3gmj s HIS 278 Ca 0.21 -0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 3gmj s HIS 278 Cb -0.15 -1.63 0.10 0.00 1.11 0.00 0.00 32.58 32.00 3gmj s HIS 278 CO 0.09 0.27 0.16 0.00 -0.85 0.00 0.00 174.74 174.41 3gmj h ASN 280 N 8.03 0.00 -2.67 0.00 7.08 -1.87 -2.28 115.58 123.87 3gmj h ASN 280 Ca -0.14 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.41 3gmj h ASN 280 Cb 1.05 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 37.22 3gmj h ASN 280 CO 0.66 0.65 -0.48 0.21 -2.08 0.00 0.00 177.43 176.39 3gmj s ASN 281 N -5.91 6.40 0.00 6.14 2.47 -1.26 -4.82 114.94 117.95 3gmj s ASN 281 Ca -0.03 0.46 0.17 0.00 0.42 0.00 0.00 52.86 53.89 3gmj s ASN 281 Cb 0.08 -2.07 1.04 0.00 -1.45 0.00 0.00 41.25 38.86 3gmj s ASN 281 CO 0.81 0.39 1.49 0.59 -3.72 0.00 0.00 177.10 176.66 3gmj n ASN 282 N 1.86 0.00 -3.72 -4.21 4.13 -1.26 -4.25 115.26 107.81 3gmj n ASN 282 Ca -0.19 -0.84 -0.30 0.00 1.68 0.00 0.00 54.58 54.93 3gmj n ASN 282 Cb 0.55 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.64 3gmj n ASN 282 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3gmj s SER 283 N -1.85 3.90 0.00 6.41 0.15 -1.26 -1.50 113.70 119.55 3gmj s SER 283 Ca 0.26 -1.90 0.04 0.00 0.70 0.00 0.00 55.95 55.05 3gmj s SER 283 Cb 0.12 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.51 3gmj s SER 283 CO 0.20 -0.38 -0.10 0.68 1.20 0.00 0.00 173.24 174.85 3gmj s VAL 284 N 1.29 3.40 -0.11 4.45 -7.23 -0.56 -4.93 120.40 116.71 3gmj s VAL 284 Ca 0.12 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3gmj s VAL 284 Cb -0.19 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3gmj s VAL 284 CO -0.18 0.41 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.19 3gmj s ILE 285 N -0.95 1.84 -0.27 -0.62 1.01 -1.07 -0.39 121.20 120.76 3gmj s ILE 285 Ca 0.16 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3gmj s ILE 285 Cb -0.11 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3gmj s ILE 285 CO 0.06 0.51 0.07 -0.69 0.00 0.00 0.00 174.94 174.89 3gmj s VAL 286 N 0.66 4.14 0.32 2.92 1.01 -0.29 -0.44 120.40 128.72 3gmj s VAL 286 Ca -0.12 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.50 3gmj s VAL 286 Cb -0.16 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3gmj s VAL 286 CO 0.03 0.23 0.19 1.51 0.00 0.00 0.00 175.10 177.06 3gmj s ASP 287 N 1.57 1.67 -0.15 3.32 1.47 0.11 -0.79 116.67 123.86 3gmj s ASP 287 Ca 0.05 -1.62 0.12 0.00 1.18 0.00 0.00 52.55 52.27 3gmj s ASP 287 Cb -0.16 0.46 0.62 0.00 -0.34 0.00 0.00 42.92 43.49 3gmj s ASP 287 CO 0.03 -0.94 1.46 0.61 0.68 0.00 0.00 175.17 177.00 3gmj n GLY 288 N -0.62 2.49 0.00 2.12 0.00 -0.26 0.28 105.19 109.19 3gmj n GLY 288 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.61 -0.69 -0.26 1.61 3.72 -1.26 -3.49 117.46 117.70 3gmj n PHE 289 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3gmj n PHE 289 Cb 0.90 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 -0.28 0.68 -2.30 4.37 -2.24 -1.26 -0.78 114.28 112.47 3gmj n THR 290 Ca 0.00 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 3gmj n THR 290 Cb 0.00 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.68 6.96 -0.04 3.42 2.47 -1.26 -4.75 114.94 121.06 3gmj s ASN 291 Ca 0.00 2.19 -0.01 0.00 0.42 0.00 0.00 52.86 55.46 3gmj s ASN 291 Cb 0.00 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.21 3gmj s ASN 291 CO 0.00 -0.55 0.05 -0.65 -3.72 0.00 0.00 177.10 172.23 3gmj h PRO 292 N 6.64 -0.02 -0.74 0.43 0.11 -1.94 -3.38 132.00 133.10 3gmj h PRO 292 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 3gmj h PRO 292 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gmj h PRO 292 CO 0.83 -0.01 0.03 0.45 -0.21 0.00 0.00 178.00 179.09 3gmj n SER 293 N -3.06 0.04 -0.01 -2.05 2.88 -1.26 -4.88 113.62 105.27 3gmj n SER 293 Ca -0.00 0.14 -0.04 0.00 -1.33 0.00 0.00 58.87 57.64 3gmj n SER 293 Cb 0.01 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 3gmj n SER 293 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3gmj n ASN 294 N 0.27 0.65 -0.03 -3.46 4.13 -1.26 -3.90 115.26 111.67 3gmj n ASN 294 Ca 0.03 0.30 0.03 0.00 1.68 0.00 0.00 54.58 56.62 3gmj n ASN 294 Cb 0.01 0.35 0.40 0.00 -1.54 0.00 0.00 39.78 38.99 3gmj n ASN 294 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3gmj h ASN 295 N 0.00 0.52 -0.12 6.41 -1.07 -1.92 -3.37 115.58 116.03 3gmj h ASN 295 Ca -0.26 -0.02 0.01 0.00 0.07 0.00 0.00 56.30 56.10 3gmj h ASN 295 Cb 1.81 -0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 37.90 3gmj h ASN 295 CO 0.05 0.39 -0.18 0.77 0.07 0.00 0.00 177.43 178.53 3gmj h SER 296 N 0.61 -0.59 0.00 6.14 4.64 -1.94 -3.47 113.55 118.94 3gmj h SER 296 Ca 0.16 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3gmj h SER 296 Cb -0.05 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3gmj h SER 296 CO -0.03 -0.13 0.00 0.47 -0.87 0.00 0.00 176.83 176.27 3gmj n ASP 297 N -3.54 0.00 -4.17 4.97 8.00 -1.26 -5.01 116.55 115.54 3gmj n ASP 297 Ca -0.01 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 3gmj n ASP 297 Cb 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.00 3.04 -0.47 -1.24 0.52 -1.26 -2.58 118.95 116.96 3gmj s ARG 298 Ca 0.00 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.22 3gmj s ARG 298 Cb 0.00 -2.73 0.05 0.00 0.52 0.00 0.00 34.95 32.79 3gmj s ARG 298 CO 0.00 -0.24 0.51 0.00 0.02 0.00 0.00 175.30 175.59 3gmj n LEU 301 N 3.58 0.45 0.26 0.00 4.32 0.14 -4.38 117.00 121.37 3gmj n LEU 301 Ca -0.13 -0.25 0.17 0.00 -0.02 0.00 0.00 56.01 55.78 3gmj n LEU 301 Cb 0.52 0.00 0.66 0.00 -1.62 0.00 0.00 43.42 42.98 3gmj n LEU 301 CO 0.39 0.11 0.98 1.23 -1.22 0.00 0.00 177.39 178.88 3gmj h GLY 302 N 4.12 0.00 -0.35 -0.72 0.00 -0.99 -2.21 103.07 102.92 3gmj h GLY 302 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gmj h GLY 302 CO 0.00 0.00 -0.54 0.61 0.00 0.00 0.00 176.54 176.61 3gmj n GLN 303 N -2.95 0.77 -2.50 4.80 -0.00 -1.16 -4.85 117.38 111.50 3gmj n GLN 303 Ca 0.01 -0.60 -0.42 0.00 -0.00 0.00 0.00 57.00 55.99 3gmj n GLN 303 Cb 0.29 -1.49 -0.03 0.00 -0.00 0.00 0.00 30.24 29.01 3gmj n GLN 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3gmj s LEU 304 N -2.64 4.34 -0.00 2.61 1.43 -0.83 -5.01 118.68 118.57 3gmj s LEU 304 Ca 0.17 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.98 3gmj s LEU 304 Cb 0.18 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 3gmj s LEU 304 CO 0.63 -0.47 0.45 -0.44 0.23 0.00 0.00 176.35 176.75 3gmj s SER 305 N 1.19 6.84 0.01 2.29 0.01 -1.26 -5.00 113.70 117.77 3gmj s SER 305 Ca 0.56 0.99 -0.01 0.00 1.31 0.00 0.00 55.95 58.81 3gmj s SER 305 Cb -0.26 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 3gmj s SER 305 CO 0.26 0.27 0.00 0.21 0.41 0.00 0.00 173.24 174.39 3gmj s ASN 306 N -0.84 0.13 -0.14 2.44 2.47 -1.26 -4.64 114.94 113.10 3gmj s ASN 306 Ca 0.25 -0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.27 3gmj s ASN 306 Cb -0.17 0.08 -0.10 0.00 -1.45 0.00 0.00 41.25 39.62 3gmj s ASN 306 CO 0.14 -0.19 -0.11 1.33 -3.72 0.00 0.00 177.10 174.54 3gmj n VAL 307 N 2.14 0.81 0.05 -5.21 0.24 -1.26 -4.18 118.33 110.92 3gmj n VAL 307 Ca -0.19 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3gmj n VAL 307 Cb 0.57 -0.98 0.01 0.00 -1.47 0.00 0.00 33.84 31.97 3gmj n VAL 307 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3gmj n ASN 308 N -2.87 0.00 -4.72 -1.34 4.13 -1.26 -4.74 115.26 104.46 3gmj n ASN 308 Ca -0.24 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.56 3gmj n ASN 308 Cb 0.78 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.97 3gmj n ASN 308 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3gmj s ARG 309 N -2.00 4.66 0.00 3.52 3.52 -1.26 -5.06 118.95 122.33 3gmj s ARG 309 Ca 0.00 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.04 3gmj s ARG 309 Cb 0.00 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3gmj s ARG 309 CO 0.00 0.14 0.00 0.27 -0.81 0.00 0.00 175.30 174.91 3gmj n ASN 310 N 3.09 0.77 -0.03 -2.12 0.23 -1.26 -4.96 115.26 110.98 3gmj n ASN 310 Ca 0.03 -0.05 -0.15 0.00 -0.53 0.00 0.00 54.58 53.89 3gmj n ASN 310 Cb 0.50 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 3gmj n ASN 310 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3gmj h SER 311 N 0.00 0.23 0.80 0.53 4.64 -1.99 -2.70 113.55 115.06 3gmj h SER 311 Ca 0.00 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 3gmj h SER 311 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3gmj h SER 311 CO 0.00 0.92 0.00 0.35 -0.87 0.00 0.00 176.83 177.23 3gmj n THR 312 N -4.53 0.73 -0.05 2.95 -2.24 -1.26 -0.67 114.28 109.20 3gmj n THR 312 Ca -0.09 0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 3gmj n THR 312 Cb 0.47 -0.92 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 3gmj n THR 312 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3gmj h ILE 313 N 0.00 1.31 -0.64 2.28 2.04 -1.94 -2.81 117.51 117.75 3gmj h ILE 313 Ca 0.00 -2.33 0.14 0.00 1.00 0.00 0.00 64.86 63.67 3gmj h ILE 313 Cb 0.40 2.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 3gmj h ILE 313 CO 0.00 0.55 0.44 -0.33 0.00 0.00 0.00 178.15 178.81 3gmj h GLU 314 N -0.77 0.26 -0.06 2.37 5.08 -1.20 -0.88 114.58 119.39 3gmj h GLU 314 Ca -0.20 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3gmj h GLU 314 Cb 1.34 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.54 3gmj h GLU 314 CO -0.04 0.17 -0.41 -0.91 -1.00 0.00 0.00 179.01 176.82 3gmj h ASN 315 N 0.27 0.46 -0.53 1.42 2.35 -0.98 -3.14 115.58 115.42 3gmj h ASN 315 Ca 0.31 -0.68 -0.09 0.00 -0.55 0.00 0.00 56.30 55.28 3gmj h ASN 315 Cb 0.84 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 3gmj h ASN 315 CO -0.07 1.07 -0.02 0.74 -1.65 0.00 0.00 177.43 177.50 3gmj h THR 316 N -0.12 1.26 -0.52 2.81 2.02 -1.20 -2.91 112.91 114.25 3gmj h THR 316 Ca -0.04 -1.15 0.14 0.00 0.77 0.00 0.00 66.41 66.14 3gmj h THR 316 Cb 1.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3gmj h THR 316 CO 0.08 0.41 0.37 0.03 0.37 0.00 0.00 175.52 176.78 3gmj h ARG 317 N 0.90 0.06 -0.28 6.66 3.08 -1.16 -1.19 114.38 122.46 3gmj h ARG 317 Ca 0.16 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 3gmj h ARG 317 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3gmj h ARG 317 CO 0.03 0.04 -0.09 0.00 -1.07 0.00 0.00 179.97 178.88 3gmj h ARG 318 N 0.06 0.55 0.00 0.04 3.08 -1.46 -3.21 114.38 113.43 3gmj h ARG 318 Ca 0.25 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gmj h ARG 318 Cb 0.91 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3gmj h ARG 318 CO -0.02 0.77 0.00 0.72 -1.07 0.00 0.00 179.97 180.37 3gmj n HIS 319 N -4.49 0.06 0.51 3.04 8.25 -0.46 -3.32 115.22 118.81 3gmj n HIS 319 Ca -0.03 0.02 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 3gmj n HIS 319 Cb 0.33 -0.53 -0.10 0.00 1.12 0.00 0.00 29.99 30.81 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 0.00 0.05 0.00 1.59 2.04 -1.53 -3.37 117.51 116.29 3gmj h ILE 320 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3gmj h ILE 320 Cb 0.30 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 3gmj h ILE 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3gmj n GLY 321 N -1.64 3.29 0.36 5.37 0.00 -1.21 -2.30 105.19 109.06 3gmj n GLY 321 Ca -0.16 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 45.98 3gmj n GLY 321 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gmj h LYS 322 N 0.00 0.20 0.00 1.61 1.57 -1.89 -0.68 116.57 117.38 3gmj h LYS 322 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gmj h LYS 322 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gmj h LYS 322 CO 0.00 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 3gmj n GLY 323 N -1.57 0.64 3.07 3.86 0.00 -0.97 -4.51 105.19 105.71 3gmj n GLY 323 Ca 0.09 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 1.02 -0.24 1.61 0.11 0.03 -0.66 120.40 122.27 3gmj s VAL 324 Ca 0.00 -0.52 -0.06 0.00 -2.93 0.00 0.00 61.98 58.47 3gmj s VAL 324 Cb 0.00 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 3gmj s VAL 324 CO 0.00 0.30 0.04 -2.28 -3.33 0.00 0.00 175.10 169.83 3gmj s HIS 325 N -0.07 3.05 -0.19 1.54 5.04 0.12 -1.14 115.29 123.65 3gmj s HIS 325 Ca 0.01 -0.53 -0.06 0.00 -1.54 0.00 0.00 55.06 52.93 3gmj s HIS 325 Cb -0.07 -2.19 -0.03 0.00 0.04 0.00 0.00 32.58 30.32 3gmj s HIS 325 CO 0.00 -0.39 0.04 -0.51 -2.34 0.00 0.00 174.74 171.54 3gmj s LEU 326 N 1.52 3.54 -0.16 8.88 1.43 0.48 -0.15 118.68 134.22 3gmj s LEU 326 Ca 0.06 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3gmj s LEU 326 Cb -0.15 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.21 3gmj s LEU 326 CO 0.02 0.11 -0.05 -0.47 0.23 0.00 0.00 176.35 176.19 3gmj s TYR 327 N 0.72 1.69 -0.25 0.29 5.04 0.07 -1.49 117.35 123.43 3gmj s TYR 327 Ca 0.02 -1.08 -0.08 0.00 -2.44 0.00 0.00 57.07 53.50 3gmj s TYR 327 Cb -0.14 -1.31 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 3gmj s TYR 327 CO 0.02 -0.61 0.08 -0.47 -1.34 0.00 0.00 175.55 173.22 3gmj s TYR 328 N 1.64 3.10 -0.12 4.97 6.04 -0.56 0.03 117.35 132.45 3gmj s TYR 328 Ca 0.01 -0.34 -0.09 0.00 0.04 0.00 0.00 57.07 56.68 3gmj s TYR 328 Cb -0.15 -2.24 0.04 0.00 -1.04 0.00 0.00 41.96 38.57 3gmj s TYR 328 CO -0.08 -0.31 0.30 0.54 -1.54 0.00 0.00 175.55 174.47 3gmj s VAL 329 N 1.53 -0.01 0.00 3.14 0.11 -0.72 -4.76 120.40 119.69 3gmj s VAL 329 Ca 0.06 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3gmj s VAL 329 Cb -0.15 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3gmj s VAL 329 CO 0.04 0.02 0.00 0.35 -3.33 0.00 0.00 175.10 172.18 3gmj n THR 330 N 3.39 0.00 0.02 5.04 -2.24 -1.26 -2.08 114.28 117.15 3gmj n THR 330 Ca -0.17 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 3gmj n THR 330 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 3gmj n THR 330 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gmj h GLY 331 N 0.00 0.28 -1.81 3.38 0.00 -1.97 -3.49 103.07 99.46 3gmj h GLY 331 Ca 0.00 -0.73 -0.47 0.00 0.00 0.00 0.00 47.33 46.13 3gmj h GLY 331 CO 0.00 0.64 0.37 -1.83 0.00 0.00 0.00 176.54 175.72 3gmj s GLU 332 N -2.57 3.76 -0.06 4.80 1.03 -0.88 -3.47 118.70 121.30 3gmj s GLU 332 Ca -0.17 1.09 0.03 0.00 0.03 0.00 0.00 54.97 55.96 3gmj s GLU 332 Cb 0.07 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.30 3gmj s GLU 332 CO 0.80 -0.44 -0.15 0.54 -1.33 0.00 0.00 175.26 174.68 3gmj s VAL 333 N -2.46 1.32 -0.05 1.83 0.11 0.05 -1.75 120.40 119.45 3gmj s VAL 333 Ca 0.62 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 59.09 3gmj s VAL 333 Cb -0.12 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3gmj s VAL 333 CO 0.30 0.39 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.96 3gmj s TYR 334 N 0.34 2.57 -0.17 1.54 2.02 0.10 -1.33 117.35 122.42 3gmj s TYR 334 Ca -0.10 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3gmj s TYR 334 Cb -0.14 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3gmj s TYR 334 CO 0.03 0.05 -0.03 0.00 -1.57 0.00 0.00 175.55 174.04 3gmj s ALA 335 N -0.56 3.00 -0.11 3.71 0.00 0.62 -0.75 121.76 127.66 3gmj s ALA 335 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3gmj s ALA 335 Cb -0.11 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3gmj s ALA 335 CO 0.01 0.08 -0.20 -2.00 0.00 0.00 0.00 175.76 173.65 3gmj s GLU 336 N 0.59 2.71 -0.90 0.00 2.12 0.79 -1.00 118.70 123.01 3gmj s GLU 336 Ca -0.02 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 3gmj s GLU 336 Cb -0.14 -2.17 0.06 0.00 0.26 0.00 0.00 34.13 32.14 3gmj s GLU 336 CO 0.02 0.03 1.32 0.00 -0.54 0.00 0.00 175.26 176.09 3gmj n LEU 338 N 8.55 0.64 -4.76 0.00 4.32 -0.32 0.13 117.00 125.57 3gmj n LEU 338 Ca 0.21 0.59 -0.31 0.00 -0.02 0.00 0.00 56.01 56.48 3gmj n LEU 338 Cb 0.50 -0.42 0.10 0.00 -1.62 0.00 0.00 43.42 41.97 3gmj n LEU 338 CO 0.65 -0.27 0.70 -0.55 -1.22 0.00 0.00 177.39 176.70 3gmj s SER 339 N -4.20 4.37 0.02 -1.43 0.15 0.16 -4.21 113.70 108.57 3gmj s SER 339 Ca 0.09 1.89 0.26 0.00 0.70 0.00 0.00 55.95 58.89 3gmj s SER 339 Cb 0.12 -2.53 0.68 0.00 -1.71 0.00 0.00 66.02 62.58 3gmj s SER 339 CO 0.51 -2.13 1.55 0.47 1.20 0.00 0.00 173.24 174.84 3gmj n ASP 340 N -3.49 0.41 -4.72 5.45 8.00 -1.26 -4.30 116.55 116.64 3gmj n ASP 340 Ca 0.10 0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 3gmj n ASP 340 Cb 0.53 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3gmj n ASP 340 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gmj s SER 341 N -3.22 4.95 1.02 -2.24 0.01 -1.26 -4.79 113.70 108.17 3gmj s SER 341 Ca 0.11 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 3gmj s SER 341 Cb 0.17 -1.08 0.21 0.00 0.21 0.00 0.00 66.02 65.53 3gmj s SER 341 CO 0.66 0.00 1.25 0.00 0.41 0.00 0.00 173.24 175.56 3gmj s ALA 342 N -2.16 1.80 0.04 1.44 0.00 -1.26 -4.36 121.76 117.25 3gmj s ALA 342 Ca 0.31 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3gmj s ALA 342 Cb -0.07 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 3gmj s ALA 342 CO 0.22 -2.70 0.04 0.96 0.00 0.00 0.00 175.76 174.27 3gmj s ILE 343 N -3.61 0.14 -0.03 0.00 -4.36 -1.14 -0.89 121.20 111.30 3gmj s ILE 343 Ca 0.72 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.97 3gmj s ILE 343 Cb -0.06 -0.86 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 3gmj s ILE 343 CO 0.54 -0.66 -0.19 -0.36 0.24 0.00 0.00 174.94 174.51 3gmj s PHE 344 N -2.57 1.79 -0.04 1.37 0.40 0.42 -0.87 117.98 118.47 3gmj s PHE 344 Ca -0.05 -0.46 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 3gmj s PHE 344 Cb -0.02 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 3gmj s PHE 344 CO -0.05 -0.12 -0.24 0.08 0.70 0.00 0.00 175.22 175.59 3gmj s VAL 345 N -0.15 1.98 -0.43 -0.44 1.01 0.15 -0.35 120.40 122.16 3gmj s VAL 345 Ca 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.98 3gmj s VAL 345 Cb -0.10 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.73 3gmj s VAL 345 CO 0.01 0.55 0.15 -1.58 0.00 0.00 0.00 175.10 174.24 3gmj s GLN 346 N -0.31 1.70 -0.19 2.72 0.74 -0.37 -1.08 119.66 122.87 3gmj s GLN 346 Ca 0.01 -2.23 -0.01 0.00 0.05 0.00 0.00 55.36 53.19 3gmj s GLN 346 Cb -0.12 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.77 3gmj s GLN 346 CO 0.02 -1.03 -0.15 0.45 -0.55 0.00 0.00 175.29 174.04 3gmj s SER 347 N 0.33 3.53 0.33 6.67 0.15 -1.26 -3.04 113.70 120.41 3gmj s SER 347 Ca 0.14 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.27 3gmj s SER 347 Cb -0.22 -1.57 0.59 0.00 -1.71 0.00 0.00 66.02 63.11 3gmj s SER 347 CO -0.04 -0.01 1.82 0.03 1.20 0.00 0.00 173.24 176.23 3gmj h ARG 348 N 7.99 0.36 -0.28 5.44 3.08 -1.81 0.27 114.38 129.44 3gmj h ARG 348 Ca -0.44 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.38 3gmj h ARG 348 Cb 1.14 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3gmj h ARG 348 CO 0.63 0.54 -0.28 -0.97 -1.07 0.00 0.00 179.97 178.82 3gmj h ASN 349 N 0.34 0.73 -0.06 7.04 -0.73 -1.83 -1.06 115.58 120.00 3gmj h ASN 349 Ca 0.06 -0.47 -0.06 0.00 1.87 0.00 0.00 56.30 57.69 3gmj h ASN 349 Cb 0.52 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3gmj h ASN 349 CO 0.03 1.05 -0.13 0.00 -0.37 0.00 0.00 177.43 178.01 3gmj h ASN 351 N 0.36 0.55 0.28 0.00 2.35 -0.79 -1.25 115.58 117.09 3gmj h ASN 351 Ca 0.07 -0.88 -0.05 0.00 -0.55 0.00 0.00 56.30 54.88 3gmj h ASN 351 Cb 0.46 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3gmj h ASN 351 CO 0.03 1.39 -0.26 0.22 -1.65 0.00 0.00 177.43 177.15 3gmj h TYR 352 N -0.20 0.00 -0.04 1.19 5.03 -1.24 0.38 116.97 122.09 3gmj h TYR 352 Ca -0.14 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.96 3gmj h TYR 352 Cb 1.61 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.89 3gmj h TYR 352 CO 0.17 0.26 -0.85 0.37 -1.32 0.00 0.00 178.16 176.79 3gmj h GLN 353 N 0.00 0.44 -0.00 1.82 4.15 -1.23 -3.10 115.11 117.19 3gmj h GLN 353 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3gmj h GLN 353 Cb 0.47 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3gmj h GLN 353 CO 0.03 1.07 -0.71 0.72 -1.93 0.00 0.00 178.83 178.01 3gmj n HIS 354 N -3.79 0.00 -0.05 3.99 8.25 -0.48 -4.97 115.22 118.16 3gmj n HIS 354 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3gmj n HIS 354 Cb 0.78 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 1.47 1.03 3.66 -1.41 0.00 0.11 -5.05 105.19 105.00 3gmj n GLY 355 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3gmj n GLY 355 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gmj n PHE 356 N -2.00 0.99 -1.66 1.61 3.01 0.11 -4.89 117.46 114.63 3gmj n PHE 356 Ca 0.00 0.39 -0.51 0.00 1.01 0.00 0.00 57.45 58.34 3gmj n PHE 356 Cb 0.00 -2.08 -0.06 0.00 -0.01 0.00 0.00 39.48 37.33 3gmj n PHE 356 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3gmj n HIS 357 N -3.21 2.01 0.27 1.38 -0.00 -1.26 -4.27 115.22 110.14 3gmj n HIS 357 Ca 0.13 0.38 0.01 0.00 -0.00 0.00 0.00 57.72 58.25 3gmj n HIS 357 Cb 0.50 -2.49 0.07 0.00 -0.00 0.00 0.00 29.99 28.08 3gmj n HIS 357 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3gmj n PRO 358 N 4.42 0.14 -0.85 1.57 -0.02 -1.26 -0.69 135.00 138.30 3gmj n PRO 358 Ca 0.21 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.65 3gmj n PRO 358 Cb 0.22 -1.29 0.19 0.00 -0.02 0.00 0.00 33.50 32.60 3gmj n PRO 358 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gmj n SER 359 N -0.79 2.54 -4.77 2.55 3.41 -1.26 -4.58 113.62 110.73 3gmj n SER 359 Ca 0.02 -3.82 -0.40 0.00 -0.26 0.00 0.00 58.87 54.42 3gmj n SER 359 Cb 0.01 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.28 3gmj n SER 359 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gmj s THR 360 N -3.35 4.40 -0.44 6.66 2.01 0.13 -4.81 115.64 120.24 3gmj s THR 360 Ca 0.44 1.75 -0.08 0.00 0.31 0.00 0.00 61.69 64.11 3gmj s THR 360 Cb 0.41 -4.16 0.11 0.00 0.01 0.00 0.00 72.50 68.86 3gmj s THR 360 CO -0.01 0.48 0.29 -0.69 -0.69 0.00 0.00 174.62 174.01 3gmj s VAL 361 N -0.91 4.05 0.31 3.82 1.01 -1.26 -4.35 120.40 123.07 3gmj s VAL 361 Ca 0.37 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 3gmj s VAL 361 Cb -0.23 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3gmj s VAL 361 CO 0.26 -0.68 0.84 0.00 0.00 0.00 0.00 175.10 175.53 3gmj s LYS 363 N -2.36 3.90 -0.44 0.00 2.20 -1.26 -0.68 119.74 121.10 3gmj s LYS 363 Ca 0.50 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 3gmj s LYS 363 Cb -0.15 -3.25 0.12 0.00 -1.51 0.00 0.00 37.83 33.04 3gmj s LYS 363 CO 0.20 0.63 0.17 0.42 -0.36 0.00 0.00 175.35 176.41 3gmj s ILE 364 N -0.81 2.35 0.72 5.43 1.01 -0.05 -4.97 121.20 124.89 3gmj s ILE 364 Ca 0.22 -2.85 -0.14 0.00 0.00 0.00 0.00 60.65 57.88 3gmj s ILE 364 Cb -0.15 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.68 3gmj s ILE 364 CO 0.11 -0.72 1.15 -2.84 0.00 0.00 0.00 174.94 172.64 3gmj s PRO 365 N 0.26 2.29 0.08 2.79 0.02 -1.26 -2.91 135.00 136.28 3gmj s PRO 365 Ca 0.14 1.54 -0.36 0.00 0.02 0.00 0.00 61.00 62.35 3gmj s PRO 365 Cb -0.23 -1.87 -0.18 0.00 0.02 0.00 0.00 34.50 32.24 3gmj s PRO 365 CO -0.04 -1.67 1.08 -2.30 -0.33 0.00 0.00 177.00 173.74 3gmj n PRO 366 N -2.82 0.50 -0.91 5.54 -0.02 -1.26 -0.34 135.00 135.69 3gmj n PRO 366 Ca 0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3gmj n PRO 366 Cb 0.51 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.90 1.09 3.98 -1.23 0.00 0.12 -5.01 105.19 106.03 3gmj n GLY 367 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.26 1.34 -0.21 0.00 0.15 -1.26 -1.41 113.70 108.05 3gmj s SER 369 Ca 0.50 -0.70 -0.10 0.00 0.70 0.00 0.00 55.95 56.35 3gmj s SER 369 Cb -0.10 0.00 0.08 0.00 -1.71 0.00 0.00 66.02 64.29 3gmj s SER 369 CO 0.35 -0.20 0.50 -0.22 1.20 0.00 0.00 173.24 174.86 3gmj s LEU 370 N -2.04 -0.52 -0.39 3.45 2.96 -0.17 -4.99 118.68 116.97 3gmj s LEU 370 Ca -0.01 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.74 3gmj s LEU 370 Cb -0.06 1.66 0.01 0.00 0.50 0.00 0.00 46.19 48.30 3gmj s LEU 370 CO 0.01 -0.22 1.38 -0.75 -1.32 0.00 0.00 176.35 175.45 3gmj s LYS 371 N 1.91 3.64 0.00 1.98 2.20 -1.26 -0.28 119.74 127.93 3gmj s LYS 371 Ca -0.07 0.98 0.24 0.00 -0.36 0.00 0.00 55.97 56.76 3gmj s LYS 371 Cb -0.09 -3.99 0.29 0.00 -1.51 0.00 0.00 37.83 32.52 3gmj s LYS 371 CO -0.15 -1.48 1.31 0.44 -0.36 0.00 0.00 175.35 175.11 3gmj n ILE 372 N 6.91 0.00 -3.50 5.43 -5.35 -0.44 -4.81 119.36 117.60 3gmj n ILE 372 Ca 0.16 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 3gmj n ILE 372 Cb 0.48 1.33 -0.05 0.00 -1.74 0.00 0.00 39.64 39.66 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 -2.06 -0.72 -0.25 4.28 5.36 -1.08 -3.62 117.98 119.89 3gmj s PHE 373 Ca 0.28 1.30 -0.08 0.00 -0.96 0.00 0.00 56.93 57.47 3gmj s PHE 373 Cb 0.20 0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 43.28 3gmj s PHE 373 CO 0.34 -0.36 0.08 1.21 -1.46 0.00 0.00 175.22 175.03 3gmj s ASN 374 N 2.17 5.28 0.48 6.13 3.04 -1.26 -0.77 114.94 130.02 3gmj s ASN 374 Ca -0.05 -0.16 0.26 0.00 0.04 0.00 0.00 52.86 52.96 3gmj s ASN 374 Cb -0.06 -1.95 1.19 0.00 -1.54 0.00 0.00 41.25 38.89 3gmj s ASN 374 CO -0.17 -0.02 1.95 -1.13 -3.04 0.00 0.00 177.10 174.69 3gmj h ASN 375 N 8.12 0.00 0.05 -4.21 -0.73 -1.94 -2.79 115.58 114.08 3gmj h ASN 375 Ca -0.38 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.79 3gmj h ASN 375 Cb 1.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.77 3gmj h ASN 375 CO 0.58 0.17 -0.02 1.56 -0.37 0.00 0.00 177.43 179.35 3gmj h GLN 376 N 0.00 -0.06 -0.95 6.67 4.20 -1.94 -2.68 115.11 120.35 3gmj h GLN 376 Ca -0.00 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.94 3gmj h GLN 376 Cb 0.55 0.01 -0.18 0.00 0.30 0.00 0.00 27.48 28.17 3gmj h GLN 376 CO 0.02 0.46 -0.11 -1.91 -0.67 0.00 0.00 178.83 176.62 3gmj n GLU 377 N -4.75 -0.08 0.00 1.46 4.07 -1.20 -2.55 120.64 117.59 3gmj n GLU 377 Ca -0.06 1.45 0.00 0.00 -0.06 0.00 0.00 57.16 58.49 3gmj n GLU 377 Cb 0.26 -2.24 0.00 0.00 -0.06 0.00 0.00 31.44 29.41 3gmj n GLU 377 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3gmj n PHE 378 N -5.48 0.00 0.04 4.31 -0.00 -1.06 -2.62 117.46 112.65 3gmj n PHE 378 Ca 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.65 3gmj n PHE 378 Cb 0.60 -0.33 0.07 0.00 -0.00 0.00 0.00 39.48 39.82 3gmj n PHE 378 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gmj n ALA 379 N -1.50 0.51 -0.06 3.13 0.00 -1.01 0.89 120.51 122.47 3gmj n ALA 379 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 3gmj n ALA 379 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 3gmj n ALA 379 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gmj h GLN 380 N 0.00 0.00 -1.07 0.00 4.20 -1.45 -2.70 115.11 114.09 3gmj h GLN 380 Ca 0.00 0.00 0.43 0.00 0.06 0.00 0.00 58.65 59.14 3gmj h GLN 380 Cb 0.55 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.16 3gmj h GLN 380 CO 0.00 0.09 0.61 1.28 -0.67 0.00 0.00 178.83 180.15 3gmj n LEU 381 N -4.74 0.31 0.40 1.46 7.99 0.26 0.14 117.00 122.82 3gmj n LEU 381 Ca -0.02 1.57 -0.16 0.00 -0.01 0.00 0.00 56.01 57.39 3gmj n LEU 381 Cb 0.08 -0.77 -0.07 0.00 -0.11 0.00 0.00 43.42 42.55 3gmj n LEU 381 CO 0.04 -1.75 0.50 0.25 -1.51 0.00 0.00 177.39 174.92 3gmj h LEU 382 N 0.00 -0.86 -1.91 2.23 5.85 -1.05 -1.14 115.31 118.44 3gmj h LEU 382 Ca 0.84 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.57 3gmj h LEU 382 Cb 2.35 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.60 3gmj h LEU 382 CO -0.69 -0.59 -0.11 0.28 -0.34 0.00 0.00 178.44 177.00 3gmj h SER 383 N -1.06 0.00 0.64 1.25 0.02 -0.29 -3.00 113.55 111.11 3gmj h SER 383 Ca -0.10 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3gmj h SER 383 Cb 0.78 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.32 3gmj h SER 383 CO 0.17 0.11 -0.31 1.56 -1.14 0.00 0.00 176.83 177.22 3gmj h GLN 384 N 0.00 -0.82 -2.32 3.45 4.20 0.13 -3.34 115.11 116.41 3gmj h GLN 384 Ca -0.00 0.06 -0.64 0.00 0.06 0.00 0.00 58.65 58.12 3gmj h GLN 384 Cb 0.21 0.19 -0.16 0.00 0.30 0.00 0.00 27.48 28.02 3gmj h GLN 384 CO 0.01 -0.51 1.46 -1.13 -0.67 0.00 0.00 178.83 177.99 3gmj n SER 385 N -5.38 7.33 -0.10 1.46 3.41 -0.44 -4.25 113.62 115.65 3gmj n SER 385 Ca -0.12 -3.21 -0.14 0.00 -0.26 0.00 0.00 58.87 55.14 3gmj n SER 385 Cb 0.36 -1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 62.97 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 1.23 1.49 0.67 -3.33 0.31 -1.25 -3.70 118.33 113.75 3gmj n VAL 386 Ca 0.56 0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.92 3gmj n VAL 386 Cb 0.38 -2.21 0.07 0.00 -0.91 0.00 0.00 33.84 31.17 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 -4.37 1.84 -0.67 4.52 0.23 -1.26 -2.81 115.26 112.73 3gmj n ASN 387 Ca -0.24 -2.16 0.10 0.00 -0.53 0.00 0.00 54.58 51.75 3gmj n ASN 387 Cb 0.60 -0.53 0.05 0.00 -2.08 0.00 0.00 39.78 37.82 3gmj n ASN 387 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3gmj n ASN 388 N 0.11 2.38 0.00 0.53 5.15 -1.26 -5.08 115.26 117.09 3gmj n ASN 388 Ca 0.05 -1.69 0.00 0.00 -0.60 0.00 0.00 54.58 52.34 3gmj n ASN 388 Cb 0.42 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 3gmj n ASN 388 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gmj n GLY 389 N 1.17 1.39 0.12 8.20 0.00 -1.12 -4.77 105.19 110.18 3gmj n GLY 389 Ca 0.10 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.49 0.42 0.29 1.61 -0.00 -1.26 -4.05 117.46 112.98 3gmj n PHE 390 Ca 0.00 0.18 0.16 0.00 -0.00 0.00 0.00 57.45 57.79 3gmj n PHE 390 Cb 0.00 -1.01 0.89 0.00 -0.00 0.00 0.00 39.48 39.36 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 -1.00 0.00 0.26 -4.13 4.81 -1.96 -1.59 114.58 110.97 3gmj h GLU 391 Ca -0.51 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3gmj h GLU 391 Cb 1.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 3gmj h GLU 391 CO -0.31 0.05 -0.37 0.00 -0.73 0.00 0.00 179.01 177.65 3gmj h ALA 392 N 1.95 -0.98 0.00 2.92 0.00 -1.86 0.21 119.26 121.50 3gmj h ALA 392 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gmj h ALA 392 Cb 0.16 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gmj h ALA 392 CO 0.01 -1.03 0.00 1.55 0.00 0.00 0.00 179.25 179.78 3gmj n VAL 393 N -4.59 1.22 -0.03 0.00 3.14 -0.68 -1.80 118.33 115.59 3gmj n VAL 393 Ca -0.08 0.30 -0.18 0.00 -2.96 0.00 0.00 64.34 61.43 3gmj n VAL 393 Cb 0.32 -1.17 -0.14 0.00 -1.06 0.00 0.00 33.84 31.79 3gmj n VAL 393 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gmj n TYR 394 N -1.42 0.95 0.32 1.45 4.19 -0.73 -4.01 117.16 117.91 3gmj n TYR 394 Ca 0.03 0.23 0.20 0.00 3.31 0.00 0.00 57.90 61.67 3gmj n TYR 394 Cb 0.08 -1.13 1.10 0.00 0.49 0.00 0.00 39.34 39.88 3gmj n TYR 394 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3gmj h GLU 395 N 0.04 0.00 0.00 2.98 4.39 0.20 -1.98 114.58 120.22 3gmj h GLU 395 Ca -0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 3gmj h GLU 395 Cb 2.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3gmj h GLU 395 CO 0.06 0.00 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.80 3gmj h LEU 396 N 0.00 0.00 -1.33 1.33 3.38 -1.68 -0.40 115.31 116.62 3gmj h LEU 396 Ca 0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 3gmj h LEU 396 Cb 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3gmj h LEU 396 CO -0.00 0.04 0.61 0.74 0.09 0.00 0.00 178.44 179.92 3gmj h THR 397 N 0.00 0.69 -0.03 0.22 2.02 -1.60 0.38 112.91 114.59 3gmj h THR 397 Ca -0.00 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3gmj h THR 397 Cb 0.15 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3gmj h THR 397 CO 0.00 0.10 0.02 0.11 0.37 0.00 0.00 175.52 176.13 3gmj h LYS 398 N 0.55 0.00 -0.42 6.66 1.57 -1.28 -2.39 116.57 121.25 3gmj h LYS 398 Ca 0.51 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.14 3gmj h LYS 398 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3gmj h LYS 398 CO -0.25 0.00 -0.32 0.52 -0.57 0.00 0.00 179.45 178.84 3gmj h MET 399 N 0.00 0.95 0.00 3.15 2.86 -0.39 -3.24 114.93 118.26 3gmj h MET 399 Ca 0.01 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3gmj h MET 399 Cb 0.05 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3gmj h MET 399 CO -0.00 1.12 0.00 0.00 1.06 0.00 0.00 176.91 179.09 3gmj s THR 401 N -2.20 1.99 0.02 0.00 2.01 -1.22 -0.81 115.64 115.44 3gmj s THR 401 Ca 0.33 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3gmj s THR 401 Cb 0.17 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 3gmj s THR 401 CO 0.32 0.55 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.94 3gmj s ILE 402 N 0.16 1.81 -0.02 1.82 1.01 0.13 -4.67 121.20 121.44 3gmj s ILE 402 Ca -0.13 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 59.44 3gmj s ILE 402 Cb -0.16 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3gmj s ILE 402 CO 0.07 0.35 -0.20 -0.13 0.00 0.00 0.00 174.94 175.03 3gmj s ARG 403 N -0.95 1.62 0.02 2.79 0.52 -1.17 0.34 118.95 122.13 3gmj s ARG 403 Ca 0.09 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.55 3gmj s ARG 403 Cb -0.09 -1.56 -0.01 0.00 0.52 0.00 0.00 34.95 33.80 3gmj s ARG 403 CO 0.01 0.43 0.05 0.00 0.02 0.00 0.00 175.30 175.80 3gmj s MET 404 N -0.46 0.45 -0.06 3.54 0.23 -0.17 -1.23 119.30 121.61 3gmj s MET 404 Ca 0.07 -0.64 0.05 0.00 -1.03 0.00 0.00 55.69 54.15 3gmj s MET 404 Cb -0.08 0.17 -0.01 0.00 -1.53 0.00 0.00 34.83 33.39 3gmj s MET 404 CO -0.01 -0.10 -0.22 0.45 -2.03 0.00 0.00 175.02 173.11 3gmj s SER 405 N -1.72 2.78 -0.07 -1.18 0.15 0.52 -0.19 113.70 113.99 3gmj s SER 405 Ca -0.11 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 55.82 3gmj s SER 405 Cb -0.06 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 3gmj s SER 405 CO -0.02 0.21 0.80 -0.36 1.20 0.00 0.00 173.24 175.07 3gmj s PHE 406 N -0.06 3.57 0.00 3.44 0.08 -0.59 -0.44 117.98 123.97 3gmj s PHE 406 Ca -0.05 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.37 3gmj s PHE 406 Cb -0.13 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 3gmj s PHE 406 CO 0.04 -0.01 0.00 0.28 -0.10 0.00 0.00 175.22 175.43 3gmj n VAL 407 N 4.01 0.00 -4.38 -0.44 0.31 -0.07 -4.57 118.33 113.19 3gmj n VAL 407 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 3gmj n VAL 407 Cb 0.51 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 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 3.21 0.62 5.55 -0.14 -1.26 -4.80 119.74 122.92 3gmj s LYS 408 Ca 0.00 -0.45 -0.05 0.00 -1.36 0.00 0.00 55.97 54.11 3gmj s LYS 408 Cb 0.00 -2.83 0.03 0.00 -1.68 0.00 0.00 37.83 33.35 3gmj s LYS 408 CO 0.00 0.55 0.92 0.20 -0.76 0.00 0.00 175.35 176.26 3gmj s GLY 409 N -0.46 1.65 -0.02 -3.33 0.00 -1.26 -4.74 107.32 99.16 3gmj s GLY 409 Ca 0.08 -0.85 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 3gmj s GLY 409 CO 0.02 -0.53 0.45 0.66 0.00 0.00 0.00 173.10 173.70 3gmj s TRP 410 N -3.04 -0.35 0.00 1.90 -2.14 -1.26 -4.57 118.94 109.47 3gmj s TRP 410 Ca 0.56 0.56 0.00 0.00 2.66 0.00 0.00 56.10 59.88 3gmj s TRP 410 Cb -0.11 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 3gmj s TRP 410 CO 0.44 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.65 3gmj n GLY 411 N 1.06 -0.16 3.52 3.67 0.00 0.26 -4.67 105.19 108.88 3gmj n GLY 411 Ca -0.20 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 3gmj n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gmj n ALA 412 N -0.33 1.05 0.00 4.61 0.00 -1.26 -1.06 120.51 123.51 3gmj n ALA 412 Ca 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.81 3gmj n ALA 412 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 15.97 3gmj n ALA 412 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gmj n GLU 413 N 8.05 0.00 -3.88 0.00 4.07 -1.26 -4.97 120.64 122.66 3gmj n GLU 413 Ca 0.44 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 57.32 3gmj n GLU 413 Cb 0.45 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.79 3gmj n GLU 413 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3gmj s TYR 414 N 0.00 2.78 0.01 4.31 2.02 -0.22 -5.07 117.35 121.17 3gmj s TYR 414 Ca 0.00 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3gmj s TYR 414 Cb 0.00 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3gmj s TYR 414 CO 0.00 0.17 1.04 1.25 -1.57 0.00 0.00 175.55 176.44 3gmj h HIS 415 N 1.31 -0.10 -2.82 2.71 6.17 -1.88 -3.41 115.15 117.13 3gmj h HIS 415 Ca -0.44 -0.00 -0.57 0.00 0.71 0.00 0.00 60.37 60.07 3gmj h HIS 415 Cb 1.26 0.04 0.08 0.00 2.52 0.00 0.00 27.41 31.31 3gmj h HIS 415 CO 0.56 -0.06 0.68 0.54 0.71 0.00 0.00 177.93 180.37 3gmj n ARG 416 N -2.39 2.20 -0.05 5.26 1.74 -1.26 -4.85 116.66 117.31 3gmj n ARG 416 Ca -0.01 0.78 -0.01 0.00 -0.77 0.00 0.00 57.85 57.84 3gmj n ARG 416 Cb 0.04 -2.47 -0.14 0.00 -1.02 0.00 0.00 32.46 28.86 3gmj n ARG 416 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gmj n GLN 417 N 2.08 0.91 -4.48 5.56 1.13 -1.26 -0.57 117.38 120.76 3gmj n GLN 417 Ca 0.11 -0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.79 3gmj n GLN 417 Cb 0.33 -1.45 -0.12 0.00 0.11 0.00 0.00 30.24 29.11 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 -4.75 3.78 0.56 1.08 1.11 -1.26 -4.08 116.67 113.12 3gmj s ASP 418 Ca -0.08 -0.52 0.34 0.00 0.18 0.00 0.00 52.55 52.48 3gmj s ASP 418 Cb 0.08 -0.54 1.50 0.00 1.07 0.00 0.00 42.92 45.03 3gmj s ASP 418 CO 0.74 0.21 2.04 1.62 1.18 0.00 0.00 175.17 180.96 3gmj h VAL 419 N 3.76 0.06 0.00 -1.27 3.04 -1.95 0.12 116.25 120.01 3gmj h VAL 419 Ca -0.49 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3gmj h VAL 419 Cb 1.16 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 3gmj h VAL 419 CO 0.46 0.02 0.00 0.71 -1.01 0.00 0.00 177.57 177.75 3gmj h THR 420 N 0.00 0.00 0.00 3.17 1.35 -1.96 -1.25 112.91 114.23 3gmj h THR 420 Ca -0.00 -0.20 -0.08 0.00 -0.55 0.00 0.00 66.41 65.58 3gmj h THR 420 Cb 0.44 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 3gmj h THR 420 CO 0.00 0.00 -0.57 0.28 -0.25 0.00 0.00 175.52 174.98 3gmj h SER 421 N 0.00 0.00 -3.76 5.36 0.02 -1.00 -3.31 113.55 110.86 3gmj h SER 421 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3gmj h SER 421 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3gmj h SER 421 CO 0.00 0.34 0.36 0.42 -1.14 0.00 0.00 176.83 176.81 3gmj s THR 422 N -3.06 4.04 0.09 -2.27 -4.23 -0.47 -4.90 115.64 104.84 3gmj s THR 422 Ca 0.03 2.05 -0.17 0.00 -1.18 0.00 0.00 61.69 62.42 3gmj s THR 422 Cb 0.07 -4.30 -0.07 0.00 1.34 0.00 0.00 72.50 69.54 3gmj s THR 422 CO 0.74 0.49 1.49 -0.65 -0.54 0.00 0.00 174.62 176.15 3gmj h PRO 423 N 4.11 0.58 -4.29 3.99 0.11 -1.88 -2.71 132.00 131.91 3gmj h PRO 423 Ca -0.45 -0.23 -0.50 0.00 0.11 0.00 0.00 66.00 64.94 3gmj h PRO 423 Cb 1.20 -0.03 -0.35 0.00 0.11 0.00 0.00 31.00 31.93 3gmj h PRO 423 CO 0.68 0.78 -0.80 0.00 -0.21 0.00 0.00 178.00 178.45 3gmj s TRP 425 N 1.17 -0.19 0.04 0.00 1.48 -0.90 -1.54 118.94 118.99 3gmj s TRP 425 Ca -0.06 -0.11 0.02 0.00 -1.06 0.00 0.00 56.10 54.89 3gmj s TRP 425 Cb -0.14 0.63 -0.02 0.00 -1.16 0.00 0.00 33.47 32.78 3gmj s TRP 425 CO -0.02 -0.84 -0.06 0.96 -4.06 0.00 0.00 176.95 172.93 3gmj s ILE 426 N -3.37 0.42 -0.12 0.66 -4.36 0.74 -0.80 121.20 114.36 3gmj s ILE 426 Ca 0.10 -1.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.44 3gmj s ILE 426 Cb -0.02 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.14 3gmj s ILE 426 CO 0.00 -0.43 -0.09 -0.70 0.24 0.00 0.00 174.94 173.97 3gmj s GLU 427 N -1.60 3.33 -0.12 0.37 2.12 0.63 -1.00 118.70 122.44 3gmj s GLU 427 Ca -0.11 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.63 3gmj s GLU 427 Cb -0.10 -2.71 0.01 0.00 0.26 0.00 0.00 34.13 31.60 3gmj s GLU 427 CO -0.00 0.32 -0.20 0.42 -0.54 0.00 0.00 175.26 175.26 3gmj s ILE 428 N 0.11 1.87 -0.12 -3.70 1.01 0.15 -0.52 121.20 120.00 3gmj s ILE 428 Ca -0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 3gmj s ILE 428 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3gmj s ILE 428 CO 0.04 0.51 -0.07 -1.00 0.00 0.00 0.00 174.94 174.43 3gmj s HIS 429 N 0.77 2.96 -0.68 3.97 3.76 -0.38 -0.69 115.29 125.00 3gmj s HIS 429 Ca -0.09 -0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 54.41 3gmj s HIS 429 Cb -0.16 -1.85 0.17 0.00 1.11 0.00 0.00 32.58 31.85 3gmj s HIS 429 CO 0.00 0.06 0.64 -0.51 -0.85 0.00 0.00 174.74 174.08 3gmj s LEU 430 N -0.03 6.42 0.61 0.89 1.02 0.01 -2.28 118.68 125.32 3gmj s LEU 430 Ca -0.00 -2.21 0.41 0.00 0.02 0.00 0.00 54.13 52.35 3gmj s LEU 430 Cb -0.13 -2.22 2.13 0.00 0.02 0.00 0.00 46.19 45.99 3gmj s LEU 430 CO 0.03 -0.74 2.24 0.45 0.02 0.00 0.00 176.35 178.35 3gmj h HIS 431 N 8.38 0.00 0.00 0.29 3.86 -1.62 -2.45 115.15 123.61 3gmj h HIS 431 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3gmj h HIS 431 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3gmj h HIS 431 CO 0.88 0.00 0.00 0.41 0.86 0.00 0.00 177.93 180.08 3gmj n GLY 432 N -0.92 -2.18 0.35 2.45 0.00 -1.26 -2.33 105.19 101.30 3gmj n GLY 432 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3gmj n GLY 432 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gmj h PRO 433 N 0.00 -0.23 -0.77 1.61 0.11 -1.89 -2.28 132.00 128.55 3gmj h PRO 433 Ca 0.00 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.29 3gmj h PRO 433 Cb 0.00 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 31.05 3gmj h PRO 433 CO 0.00 -0.15 0.25 -0.07 -0.21 0.00 0.00 178.00 177.82 3gmj h LEU 434 N -0.24 0.15 -1.41 2.35 3.38 -1.56 0.13 115.31 118.11 3gmj h LEU 434 Ca 0.18 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 3gmj h LEU 434 Cb 0.55 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3gmj h LEU 434 CO -0.60 0.01 -0.19 -0.61 0.09 0.00 0.00 178.44 177.15 3gmj h GLN 435 N 0.35 0.15 0.14 1.13 4.15 -1.01 -0.86 115.11 119.16 3gmj h GLN 435 Ca 0.44 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 59.59 3gmj h GLN 435 Cb 0.74 -0.02 0.03 0.00 0.21 0.00 0.00 27.48 28.44 3gmj h GLN 435 CO -0.48 0.34 -1.00 -1.49 -1.93 0.00 0.00 178.83 174.27 3gmj h TRP 436 N 0.14 0.74 -0.86 3.99 6.55 -0.71 -3.03 115.95 122.77 3gmj h TRP 436 Ca 0.03 -0.50 0.20 0.00 0.95 0.00 0.00 58.89 59.56 3gmj h TRP 436 Cb 0.42 -0.04 -0.12 0.00 -0.86 0.00 0.00 29.16 28.56 3gmj h TRP 436 CO 0.00 1.37 0.35 1.25 -1.05 0.00 0.00 178.44 180.37 3gmj h LEU 437 N -0.11 0.29 -0.72 -4.49 5.85 -0.69 -2.03 115.31 113.42 3gmj h LEU 437 Ca -0.17 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3gmj h LEU 437 Cb 1.76 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 3gmj h LEU 437 CO 0.19 0.02 0.46 -0.78 -0.34 0.00 0.00 178.44 177.98 3gmj h ASP 438 N 0.40 0.76 0.98 1.25 -0.00 -1.04 -1.84 116.42 116.92 3gmj h ASP 438 Ca 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.54 3gmj h ASP 438 Cb 0.94 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 3gmj h ASP 438 CO -0.51 0.53 0.00 0.11 -0.00 0.00 0.00 179.24 179.37 3gmj h LYS 439 N 0.90 0.00 0.23 0.28 6.56 -1.28 0.93 116.57 124.19 3gmj h LYS 439 Ca 0.28 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.86 3gmj h LYS 439 Cb -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3gmj h LYS 439 CO -0.10 0.00 -0.11 0.28 -2.06 0.00 0.00 179.45 177.46 3gmj h VAL 440 N 0.00 0.00 -0.96 0.50 2.07 -1.27 -3.35 116.25 113.24 3gmj h VAL 440 Ca 0.00 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3gmj h VAL 440 Cb 0.49 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3gmj h VAL 440 CO 0.00 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.16 3gmj h LEU 441 N -1.04 1.09 -0.99 2.57 3.38 -1.15 -0.93 115.31 118.24 3gmj h LEU 441 Ca -0.03 -0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.26 3gmj h LEU 441 Cb 0.24 -0.27 -0.17 0.00 0.09 0.00 0.00 40.66 40.55 3gmj h LEU 441 CO 0.05 0.78 0.37 0.74 0.09 0.00 0.00 178.44 180.47 3gmj h THR 442 N 1.28 0.08 -3.33 0.22 2.02 -0.99 -2.69 112.91 109.50 3gmj h THR 442 Ca 0.36 -0.02 -0.69 0.00 0.77 0.00 0.00 66.41 66.82 3gmj h THR 442 Cb -0.11 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 65.94 3gmj h THR 442 CO -0.09 0.01 -0.20 -1.10 0.37 0.00 0.00 175.52 174.51 3gmj s GLN 443 N -5.72 3.05 0.00 6.66 1.11 -0.35 -4.98 119.66 119.43 3gmj s GLN 443 Ca -0.11 -3.15 0.00 0.00 0.01 0.00 0.00 55.36 52.11 3gmj s GLN 443 Cb 0.31 -3.85 0.00 0.00 -1.01 0.00 0.00 33.01 28.46 3gmj s GLN 443 CO 0.78 -1.25 0.00 -1.33 0.01 0.00 0.00 175.29 173.50 3gmj n MET 444 N 2.50 0.00 -1.43 2.91 2.81 -1.02 -4.91 117.12 117.99 3gmj n MET 444 Ca 0.19 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.77 3gmj n MET 444 Cb 0.37 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.00 1.67 0.98 3.03 0.00 -1.26 -4.96 107.32 106.77 3gmj s GLY 445 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 3gmj s GLY 445 CO 0.00 0.49 0.18 -1.14 0.00 0.00 0.00 173.10 172.63 3gmj n SER 446 N -3.32 -2.61 -4.69 1.64 3.41 -1.26 -4.94 113.62 101.85 3gmj n SER 446 Ca 0.08 0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.63 3gmj n SER 446 Cb 0.53 -1.11 0.15 0.00 -0.26 0.00 0.00 64.21 63.52 3gmj n SER 446 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3gmj s PRO 447 N -3.39 1.28 0.00 4.33 0.02 -1.26 -5.00 135.00 130.98 3gmj s PRO 447 Ca 0.54 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3gmj s PRO 447 Cb -0.19 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3gmj s PRO 447 CO 0.69 -2.39 0.51 1.58 -0.33 0.00 0.00 177.00 177.07 3gmj n HIS 448 N -4.05 0.00 -1.37 6.54 -0.00 -1.26 -4.62 115.22 110.45 3gmj n HIS 448 Ca 0.10 0.00 -0.52 0.00 0.46 0.00 0.00 57.72 57.77 3gmj n HIS 448 Cb 0.53 -0.16 -0.11 0.00 -0.12 0.00 0.00 29.99 30.13 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 -0.97 1.01 -4.56 0.26 2.85 -1.26 -4.89 115.26 107.70 3gmj n ASN 449 Ca 0.00 0.42 -0.29 0.00 -0.11 0.00 0.00 54.58 54.60 3gmj n ASN 449 Cb 0.00 -1.02 0.22 0.00 1.24 0.00 0.00 39.78 40.22 3gmj n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gmj s ALA 450 N 7.42 0.16 0.07 5.20 0.00 -1.26 -5.04 121.76 128.31 3gmj s ALA 450 Ca 1.21 0.02 0.06 0.00 0.00 0.00 0.00 51.96 53.25 3gmj s ALA 450 Cb -1.23 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 18.59 3gmj s ALA 450 CO 0.56 -3.46 -0.17 -1.50 0.00 0.00 0.00 175.76 171.19 3gmj s ILE 451 N -2.56 1.32 0.52 0.00 2.07 -1.26 -5.14 121.20 116.15 3gmj s ILE 451 Ca 0.68 -1.27 -0.19 0.00 -1.41 0.00 0.00 60.65 58.46 3gmj s ILE 451 Cb -0.24 -1.22 -0.07 0.00 0.13 0.00 0.00 42.46 41.07 3gmj s ILE 451 CO 0.62 -0.07 1.04 -0.55 -1.91 0.00 0.00 174.94 174.06 3gmj s SER 452 N -1.56 6.23 0.00 4.50 0.15 -1.26 -4.98 113.70 116.78 3gmj s SER 452 Ca 0.02 1.86 0.18 0.00 0.70 0.00 0.00 55.95 58.71 3gmj s SER 452 Cb -0.09 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 3gmj s SER 452 CO 0.02 -0.86 0.98 -1.54 1.20 0.00 0.00 173.24 173.04 3gmj n SER 453 N -1.31 2.04 -0.03 5.45 3.41 -1.26 -4.56 113.62 117.37 3gmj n SER 453 Ca 0.09 -1.52 -0.03 0.00 -0.26 0.00 0.00 58.87 57.15 3gmj n SER 453 Cb 0.53 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 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 0.34 0.37 1.65 -3.33 0.31 -1.26 -5.40 118.33 111.00 3gmj n VAL 454 Ca 0.09 -0.21 0.15 0.00 -0.01 0.00 0.00 64.34 64.35 3gmj n VAL 454 Cb 0.41 -0.84 0.65 0.00 -0.91 0.00 0.00 33.84 33.15 3gmj n VAL 454 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97