#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1khx s VAL 266 N 0.00 3.26 0.25 -1.45 1.01 -1.26 -5.04 120.40 117.17 1khx s VAL 266 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1khx s VAL 266 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1khx s VAL 266 CO 0.00 0.02 1.32 -0.89 0.00 0.00 0.00 175.10 175.55 1khx s THR 267 N -1.54 2.96 0.09 3.92 2.01 -1.26 -5.08 115.64 116.74 1khx s THR 267 Ca 0.61 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.52 1khx s THR 267 Cb -0.28 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1khx s THR 267 CO 0.34 0.16 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.94 1khx s TYR 268 N -0.34 1.47 -0.01 4.92 1.51 -1.26 -5.15 117.35 118.49 1khx s TYR 268 Ca 0.54 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 1khx s TYR 268 Cb -0.38 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1khx s TYR 268 CO 0.44 0.13 -0.14 -1.54 -1.11 0.00 0.00 175.55 173.32 1khx s SER 269 N -1.83 1.69 0.18 2.29 1.04 -1.26 -5.11 113.70 110.69 1khx s SER 269 Ca 0.02 -0.27 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 1khx s SER 269 Cb -0.10 -0.18 -0.14 0.00 0.10 0.00 0.00 66.02 65.70 1khx s SER 269 CO 0.03 0.17 1.58 1.21 0.98 0.00 0.00 173.24 177.21 1khx n GLU 270 N 2.68 2.22 -1.73 4.02 2.13 -1.26 -4.89 120.64 123.82 1khx n GLU 270 Ca -0.14 0.80 -0.42 0.00 0.66 0.00 0.00 57.16 58.05 1khx n GLU 270 Cb 0.55 -2.57 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 1khx n GLU 270 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1khx n PRO 271 N 3.32 2.61 0.22 5.31 -0.02 -1.26 -4.87 135.00 140.31 1khx n PRO 271 Ca 0.16 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.68 1khx n PRO 271 Cb 0.30 -2.71 0.37 0.00 -0.02 0.00 0.00 33.50 31.44 1khx n PRO 271 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1khx h ALA 272 N 5.07 0.95 -3.17 3.55 0.00 -1.96 -3.41 119.26 120.29 1khx h ALA 272 Ca -0.46 -0.16 -0.64 0.00 0.00 0.00 0.00 54.91 53.65 1khx h ALA 272 Cb 1.23 -0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 1khx h ALA 272 CO 0.82 0.22 -0.86 -0.06 0.00 0.00 0.00 179.25 179.37 1khx s PHE 273 N -3.45 2.47 0.09 0.00 0.40 -1.26 -4.54 117.98 111.69 1khx s PHE 273 Ca 0.03 -1.30 0.33 0.00 -0.60 0.00 0.00 56.93 55.39 1khx s PHE 273 Cb 0.08 -1.72 1.32 0.00 0.51 0.00 0.00 43.02 43.21 1khx s PHE 273 CO 0.64 -0.63 1.97 0.11 0.70 0.00 0.00 175.22 178.01 1khx h TRP 274 N 7.57 0.00 -3.08 0.36 5.08 -1.56 -3.43 115.95 120.89 1khx h TRP 274 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.62 1khx h TRP 274 Cb 1.17 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.23 1khx h TRP 274 CO 0.47 0.01 0.17 0.00 -1.28 0.00 0.00 178.44 177.81 1khx s SER 276 N -2.83 1.84 -0.05 0.00 1.04 -0.78 -1.60 113.70 111.32 1khx s SER 276 Ca 0.06 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1khx s SER 276 Cb -0.02 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1khx s SER 276 CO -0.05 0.05 -0.09 -0.63 0.98 0.00 0.00 173.24 173.50 1khx s ILE 277 N -0.89 0.84 -0.10 -1.02 1.01 0.17 -1.08 121.20 120.13 1khx s ILE 277 Ca 0.02 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1khx s ILE 277 Cb -0.08 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1khx s ILE 277 CO 0.02 0.28 -0.16 0.00 0.00 0.00 0.00 174.94 175.08 1khx s ALA 278 N 0.68 2.51 -0.04 9.38 0.00 -0.41 -0.56 121.76 133.32 1khx s ALA 278 Ca -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1khx s ALA 278 Cb -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1khx s ALA 278 CO 0.02 0.34 0.18 -0.47 0.00 0.00 0.00 175.76 175.82 1khx s TYR 279 N 0.07 3.57 0.06 0.00 5.04 -1.26 -0.24 117.35 124.59 1khx s TYR 279 Ca -0.07 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 1khx s TYR 279 Cb -0.15 -1.88 -0.03 0.00 0.35 0.00 0.00 41.96 40.25 1khx s TYR 279 CO 0.05 0.67 -0.07 0.71 -1.34 0.00 0.00 175.55 175.58 1khx s TYR 280 N -1.23 0.68 -0.21 4.97 1.51 0.49 -1.52 117.35 122.03 1khx s TYR 280 Ca 0.24 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1khx s TYR 280 Cb -0.12 -0.41 0.06 0.00 -0.11 0.00 0.00 41.96 41.37 1khx s TYR 280 CO 0.14 -0.14 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.19 1khx s GLU 281 N -2.39 1.48 7.95 -0.62 2.02 -0.07 -1.89 118.70 125.17 1khx s GLU 281 Ca -0.03 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1khx s GLU 281 Cb -0.04 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1khx s GLU 281 CO -0.02 -0.56 0.00 1.28 0.02 0.00 0.00 175.26 175.98 1khx n LEU 282 N 4.76 0.00 -1.48 1.80 4.77 -0.84 -1.43 117.00 124.59 1khx n LEU 282 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1khx n LEU 282 Cb 0.45 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.88 1khx n LEU 282 CO 0.17 0.00 0.80 -0.46 -1.33 0.00 0.00 177.39 176.57 1khx n ASN 283 N 7.84 4.71 -4.42 -1.43 6.94 -1.19 -4.42 115.26 123.29 1khx n ASN 283 Ca 0.00 -2.60 -0.33 0.00 -0.02 0.00 0.00 54.58 51.63 1khx n ASN 283 Cb 0.00 -0.57 -0.14 0.00 -2.36 0.00 0.00 39.78 36.71 1khx n ASN 283 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1khx s GLN 284 N -2.12 3.11 0.18 -3.83 -1.52 -0.51 -5.10 119.66 109.88 1khx s GLN 284 Ca 0.48 -0.68 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 1khx s GLN 284 Cb 0.33 -2.57 -0.08 0.00 -0.22 0.00 0.00 33.01 30.48 1khx s GLN 284 CO 0.20 0.36 1.17 0.50 -0.25 0.00 0.00 175.29 177.27 1khx s ARG 285 N -0.02 4.52 -0.06 2.91 6.06 -1.26 -0.89 118.95 130.20 1khx s ARG 285 Ca -0.03 1.83 0.02 0.00 -2.50 0.00 0.00 55.73 55.05 1khx s ARG 285 Cb -0.14 -3.25 0.02 0.00 0.06 0.00 0.00 34.95 31.64 1khx s ARG 285 CO 0.04 -0.04 -0.10 0.08 -2.50 0.00 0.00 175.30 172.77 1khx s VAL 286 N -0.11 0.98 0.00 7.11 1.01 -0.58 -4.90 120.40 123.92 1khx s VAL 286 Ca 0.52 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1khx s VAL 286 Cb -0.32 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1khx s VAL 286 CO 0.36 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.40 1khx n GLY 287 N 3.93 -1.67 3.89 4.51 0.00 -1.26 -4.27 105.19 110.32 1khx n GLY 287 Ca -0.23 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1khx n GLY 287 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1khx s GLU 288 N -1.79 3.36 0.30 1.61 2.02 -1.26 -4.86 118.70 118.08 1khx s GLU 288 Ca 0.00 0.49 -0.29 0.00 0.02 0.00 0.00 54.97 55.19 1khx s GLU 288 Cb 0.00 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.98 1khx s GLU 288 CO 0.00 -0.60 1.12 0.99 0.02 0.00 0.00 175.26 176.79 1khx s THR 289 N -3.10 3.39 -0.16 3.63 2.01 -1.26 -4.75 115.64 115.40 1khx s THR 289 Ca 0.54 1.36 -0.08 0.00 0.31 0.00 0.00 61.69 63.82 1khx s THR 289 Cb -0.11 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1khx s THR 289 CO 0.51 0.29 0.12 0.12 -0.69 0.00 0.00 174.62 174.96 1khx s PHE 290 N -1.22 3.45 -0.15 4.92 2.19 0.28 -4.91 117.98 122.54 1khx s PHE 290 Ca 0.47 0.37 0.01 0.00 0.33 0.00 0.00 56.93 58.11 1khx s PHE 290 Cb -0.32 -2.04 0.00 0.00 -1.31 0.00 0.00 43.02 39.36 1khx s PHE 290 CO 0.41 0.47 -0.19 -1.01 1.83 0.00 0.00 175.22 176.73 1khx s HIS 291 N -0.28 2.72 -0.23 10.12 3.76 -1.26 0.45 115.29 130.56 1khx s HIS 291 Ca 0.11 -1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 53.69 1khx s HIS 291 Cb -0.12 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1khx s HIS 291 CO 0.01 -0.54 0.35 0.00 -0.85 0.00 0.00 174.74 173.72 1khx s ALA 292 N 0.79 3.57 -0.72 -1.40 0.00 -0.63 -4.94 121.76 118.43 1khx s ALA 292 Ca -0.07 -0.69 0.17 0.00 0.00 0.00 0.00 51.96 51.38 1khx s ALA 292 Cb -0.15 -2.62 -0.19 0.00 0.00 0.00 0.00 23.12 20.15 1khx s ALA 292 CO -0.01 -0.42 0.69 -1.13 0.00 0.00 0.00 175.76 174.90 1khx n SER 293 N 4.76 0.82 -4.64 0.00 3.41 -1.26 -1.64 113.62 115.07 1khx n SER 293 Ca -0.09 -0.81 -0.32 0.00 -0.26 0.00 0.00 58.87 57.39 1khx n SER 293 Cb 0.51 1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 65.45 1khx n SER 293 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1khx s GLN 294 N -2.67 2.62 0.17 4.33 -1.52 -1.26 -4.87 119.66 116.46 1khx s GLN 294 Ca 0.05 -0.71 0.12 0.00 -1.95 0.00 0.00 55.36 52.87 1khx s GLN 294 Cb 0.13 -2.56 0.63 0.00 -0.22 0.00 0.00 33.01 30.99 1khx s GLN 294 CO 0.70 0.60 1.36 -2.30 -0.25 0.00 0.00 175.29 175.40 1khx n PRO 295 N 1.36 0.08 -3.84 2.91 -0.02 -1.26 -4.53 135.00 129.69 1khx n PRO 295 Ca -0.15 0.57 -0.14 0.00 -2.02 0.00 0.00 63.50 61.77 1khx n PRO 295 Cb 0.52 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.10 1khx n PRO 295 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1khx s SER 296 N -3.56 0.11 0.15 2.55 0.15 -1.26 -2.29 113.70 109.56 1khx s SER 296 Ca -0.01 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 1khx s SER 296 Cb 0.03 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1khx s SER 296 CO 0.11 -0.07 0.33 -1.48 1.20 0.00 0.00 173.24 173.33 1khx s LEU 297 N 0.63 0.78 -0.00 3.45 2.34 -0.35 -4.83 118.68 120.70 1khx s LEU 297 Ca -0.05 -0.67 0.05 0.00 0.06 0.00 0.00 54.13 53.52 1khx s LEU 297 Cb -0.08 1.46 -0.01 0.00 -0.56 0.00 0.00 46.19 46.99 1khx s LEU 297 CO -0.02 -0.89 -0.17 -0.89 -1.06 0.00 0.00 176.35 173.32 1khx s THR 298 N -3.91 1.33 -0.32 5.48 2.01 -0.49 -0.64 115.64 119.10 1khx s THR 298 Ca 0.11 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1khx s THR 298 Cb 0.02 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.45 1khx s THR 298 CO -0.04 0.33 0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1khx s VAL 299 N -0.46 3.72 0.46 3.82 1.01 0.17 -0.75 120.40 128.37 1khx s VAL 299 Ca 0.06 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1khx s VAL 299 Cb -0.07 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1khx s VAL 299 CO -0.00 -0.11 0.07 1.51 0.00 0.00 0.00 175.10 176.57 1khx s ASP 300 N 1.41 3.43 -0.15 3.32 1.47 -0.61 -1.36 116.67 124.18 1khx s ASP 300 Ca -0.01 -1.66 0.14 0.00 1.18 0.00 0.00 52.55 52.20 1khx s ASP 300 Cb -0.19 0.49 0.67 0.00 -0.34 0.00 0.00 42.92 43.55 1khx s ASP 300 CO 0.02 -0.88 1.55 0.61 0.68 0.00 0.00 175.17 177.15 1khx n GLY 301 N -1.07 2.56 0.00 2.12 0.00 0.15 -0.38 105.19 108.57 1khx n GLY 301 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1khx n GLY 301 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1khx n PHE 302 N 0.79 0.00 -1.66 1.61 3.72 -1.26 -2.88 117.46 117.77 1khx n PHE 302 Ca 0.23 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.68 1khx n PHE 302 Cb 0.92 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.54 1khx n PHE 302 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1khx n THR 303 N 0.00 0.94 -2.61 4.37 -2.24 -1.26 -0.86 114.28 112.63 1khx n THR 303 Ca 0.00 -1.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.04 1khx n THR 303 Cb 0.00 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 1khx n THR 303 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1khx s ASP 304 N -2.06 7.08 0.00 3.42 3.68 -1.26 -4.82 116.67 122.72 1khx s ASP 304 Ca 0.20 1.48 0.25 0.00 2.13 0.00 0.00 52.55 56.61 1khx s ASP 304 Cb 0.19 -2.54 0.73 0.00 -1.45 0.00 0.00 42.92 39.85 1khx s ASP 304 CO -0.02 -0.66 1.56 -0.81 0.13 0.00 0.00 175.17 175.38 1khx n PRO 305 N 6.18 1.91 -0.69 4.34 -0.04 -1.26 -4.44 135.00 141.00 1khx n PRO 305 Ca 0.12 -1.34 0.06 0.00 -0.04 0.00 0.00 63.50 62.30 1khx n PRO 305 Cb 0.46 -1.46 0.15 0.00 -0.04 0.00 0.00 33.50 32.60 1khx n PRO 305 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1khx n SER 306 N 0.61 1.56 -4.35 3.54 3.41 -1.26 -4.99 113.62 112.14 1khx n SER 306 Ca 0.17 -3.26 -0.37 0.00 -0.26 0.00 0.00 58.87 55.16 1khx n SER 306 Cb 0.43 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.81 1khx n SER 306 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1khx s ASN 307 N -2.78 5.07 0.25 4.04 3.84 -1.26 -4.96 114.94 119.14 1khx s ASN 307 Ca 0.34 -0.66 0.18 0.00 0.21 0.00 0.00 52.86 52.93 1khx s ASN 307 Cb 0.34 -1.87 0.93 0.00 -0.55 0.00 0.00 41.25 40.10 1khx s ASN 307 CO -0.07 -0.17 1.55 -1.54 -2.79 0.00 0.00 177.10 174.08 1khx n SER 308 N 4.86 0.46 -1.00 -4.21 3.41 -1.26 -1.32 113.62 114.56 1khx n SER 308 Ca -0.15 0.70 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 1khx n SER 308 Cb 0.48 -0.77 0.23 0.00 -0.26 0.00 0.00 64.21 63.90 1khx n SER 308 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1khx n GLU 309 N -2.11 2.70 -3.85 4.33 1.02 -1.26 -4.62 120.64 116.85 1khx n GLU 309 Ca -0.01 -2.32 -0.19 0.00 -0.02 0.00 0.00 57.16 54.62 1khx n GLU 309 Cb 0.06 -1.42 -0.17 0.00 -0.02 0.00 0.00 31.44 29.88 1khx n GLU 309 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1khx s ARG 310 N -1.04 0.34 -0.56 3.49 0.52 -0.44 -1.39 118.95 119.88 1khx s ARG 310 Ca 0.36 0.13 -0.14 0.00 -0.52 0.00 0.00 55.73 55.56 1khx s ARG 310 Cb 0.19 -0.63 0.14 0.00 0.52 0.00 0.00 34.95 35.16 1khx s ARG 310 CO 0.25 -0.21 0.50 0.12 0.02 0.00 0.00 175.30 175.98 1khx s PHE 311 N 1.48 3.34 -0.59 -0.53 5.99 0.07 -4.61 117.98 123.14 1khx s PHE 311 Ca -0.03 -1.51 -0.21 0.00 0.00 0.00 0.00 56.93 55.18 1khx s PHE 311 Cb -0.13 -3.74 0.07 0.00 0.00 0.00 0.00 43.02 39.23 1khx s PHE 311 CO -0.03 -1.01 0.80 0.00 -0.00 0.00 0.00 175.22 174.99 1khx h LEU 313 N 10.50 0.00 -1.86 0.00 3.38 -0.82 -3.25 115.31 123.26 1khx h LEU 313 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1khx h LEU 313 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1khx h LEU 313 CO 1.09 0.02 -0.13 1.23 0.09 0.00 0.00 178.44 180.75 1khx h GLY 314 N 2.56 0.00 1.09 0.83 0.00 -0.86 -2.53 103.07 104.16 1khx h GLY 314 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1khx h GLY 314 CO 0.00 0.00 -0.38 1.47 0.00 0.00 0.00 176.54 177.64 1khx n LEU 315 N -3.68 0.46 -4.68 3.11 -0.00 -1.11 -4.87 117.00 106.23 1khx n LEU 315 Ca -0.02 0.06 -0.42 0.00 -0.00 0.00 0.00 56.01 55.63 1khx n LEU 315 Cb 0.25 -0.28 -0.03 0.00 -0.00 0.00 0.00 43.42 43.36 1khx n LEU 315 CO 0.31 0.11 1.05 -0.76 -0.00 0.00 0.00 177.39 178.09 1khx s LEU 316 N -2.93 4.28 0.38 1.47 1.43 -0.96 -5.02 118.68 117.34 1khx s LEU 316 Ca 0.14 1.92 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1khx s LEU 316 Cb 0.18 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1khx s LEU 316 CO 0.64 -0.67 0.62 -0.44 0.23 0.00 0.00 176.35 176.73 1khx s SER 317 N 1.76 6.31 -0.34 2.29 0.01 -1.26 -5.06 113.70 117.41 1khx s SER 317 Ca 0.59 0.63 0.03 0.00 1.31 0.00 0.00 55.95 58.51 1khx s SER 317 Cb -0.27 -2.11 0.19 0.00 0.21 0.00 0.00 66.02 64.04 1khx s SER 317 CO 0.23 -0.36 0.71 0.21 0.41 0.00 0.00 173.24 174.44 1khx s ASN 318 N -3.93 -1.31 0.62 2.44 3.04 -1.26 -4.71 114.94 109.83 1khx s ASN 318 Ca 0.43 -0.24 0.35 0.00 0.04 0.00 0.00 52.86 53.43 1khx s ASN 318 Cb -0.10 1.74 2.01 0.00 -1.54 0.00 0.00 41.25 43.36 1khx s ASN 318 CO 0.38 -0.19 2.26 -0.37 -3.04 0.00 0.00 177.10 176.14 1khx h VAL 319 N 5.15 0.32 -0.07 -5.21 -1.51 -2.05 -0.83 116.25 112.05 1khx h VAL 319 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1khx h VAL 319 Cb 1.19 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1khx h VAL 319 CO 0.08 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.01 1khx n ASN 320 N -3.54 1.57 -4.74 4.19 5.03 -1.26 -4.97 115.26 111.54 1khx n ASN 320 Ca -0.02 -1.57 -0.41 0.00 0.87 0.00 0.00 54.58 53.44 1khx n ASN 320 Cb 0.12 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 1khx n ASN 320 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1khx n ARG 321 N 0.23 2.33 -3.11 3.52 0.63 -0.32 -5.03 116.66 114.92 1khx n ARG 321 Ca 0.18 0.82 -0.18 0.00 -0.92 0.00 0.00 57.85 57.75 1khx n ARG 321 Cb 0.35 -2.53 0.01 0.00 0.45 0.00 0.00 32.46 30.74 1khx n ARG 321 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1khx s ASN 322 N -0.31 5.72 0.21 6.15 4.22 -1.26 -4.99 114.94 124.68 1khx s ASN 322 Ca 0.57 -0.30 -0.09 0.00 -2.14 0.00 0.00 52.86 50.90 1khx s ASN 322 Cb -0.50 -0.87 0.15 0.00 1.28 0.00 0.00 41.25 41.32 1khx s ASN 322 CO 0.61 -0.70 1.82 0.00 -2.04 0.00 0.00 177.10 176.79 1khx h ALA 323 N 0.66 0.98 -0.54 3.54 0.00 -1.99 -2.22 119.26 119.68 1khx h ALA 323 Ca -0.42 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1khx h ALA 323 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1khx h ALA 323 CO 0.48 0.51 0.31 1.15 0.00 0.00 0.00 179.25 181.71 1khx h THR 324 N 1.07 1.02 -0.24 0.00 2.02 -1.99 0.86 112.91 115.65 1khx h THR 324 Ca 0.27 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1khx h THR 324 Cb 0.06 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1khx h THR 324 CO -0.04 0.11 0.06 0.58 0.37 0.00 0.00 175.52 176.61 1khx h VAL 325 N 0.61 1.21 -0.34 3.16 2.07 -1.86 -1.44 116.25 119.66 1khx h VAL 325 Ca 0.23 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1khx h VAL 325 Cb 0.07 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1khx h VAL 325 CO -0.12 0.22 0.05 -0.08 0.02 0.00 0.00 177.57 177.66 1khx h GLU 326 N 0.22 0.16 -0.27 1.57 4.57 -0.99 0.71 114.58 120.56 1khx h GLU 326 Ca 0.08 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 1khx h GLU 326 Cb 0.27 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1khx h GLU 326 CO 0.00 0.11 -0.05 1.98 -1.18 0.00 0.00 179.01 179.86 1khx h MET 327 N 0.17 0.02 -0.62 1.92 4.05 -0.66 -2.62 114.93 117.18 1khx h MET 327 Ca 0.16 -0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 1khx h MET 327 Cb 0.19 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1khx h MET 327 CO -0.23 0.01 0.03 1.15 0.23 0.00 0.00 176.91 178.10 1khx h THR 328 N 0.02 1.26 -0.35 -0.77 2.02 -0.71 -2.74 112.91 111.63 1khx h THR 328 Ca 0.13 -1.11 0.09 0.00 0.77 0.00 0.00 66.41 66.29 1khx h THR 328 Cb 0.19 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1khx h THR 328 CO -0.27 0.41 0.25 0.03 0.37 0.00 0.00 175.52 176.31 1khx h ARG 329 N 0.98 0.04 0.00 6.66 3.08 -0.51 0.15 114.38 124.78 1khx h ARG 329 Ca 0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1khx h ARG 329 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1khx h ARG 329 CO 0.02 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.95 1khx h ARG 330 N 0.04 0.00 -0.12 0.04 3.08 -1.23 -2.94 114.38 113.24 1khx h ARG 330 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1khx h ARG 330 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1khx h ARG 330 CO -0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.61 1khx n HIS 331 N -2.68 0.13 -0.06 3.04 8.25 0.52 -4.40 115.22 120.02 1khx n HIS 331 Ca 0.02 -0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1khx n HIS 331 Cb 0.29 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 1khx n HIS 331 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1khx h ILE 332 N 4.32 1.20 0.00 1.59 2.04 -1.40 -3.40 117.51 121.86 1khx h ILE 332 Ca 0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1khx h ILE 332 Cb 0.93 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1khx h ILE 332 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 178.15 178.96 1khx n GLY 333 N -0.56 3.25 0.07 5.37 0.00 -1.26 -1.00 105.19 111.06 1khx n GLY 333 Ca -0.04 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1khx n GLY 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khx n ARG 334 N 14.00 0.07 0.00 1.61 1.74 -1.26 -0.67 116.66 132.15 1khx n ARG 334 Ca 0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1khx n ARG 334 Cb 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1khx n ARG 334 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1khx n GLY 335 N -0.99 3.31 3.25 -0.13 0.00 -0.17 -4.49 105.19 105.97 1khx n GLY 335 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1khx n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1khx s VAL 336 N 0.00 1.75 -0.21 1.61 0.11 -0.46 -0.62 120.40 122.57 1khx s VAL 336 Ca 0.00 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 57.99 1khx s VAL 336 Cb 0.00 -1.46 -0.05 0.00 -1.53 0.00 0.00 36.38 33.35 1khx s VAL 336 CO 0.00 0.47 0.12 -0.60 -3.33 0.00 0.00 175.10 171.76 1khx s ARG 337 N -0.58 4.03 -0.14 1.54 3.52 -0.23 -0.65 118.95 126.44 1khx s ARG 337 Ca 0.09 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.39 1khx s ARG 337 Cb -0.09 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1khx s ARG 337 CO -0.01 0.15 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.96 1khx s LEU 338 N 0.76 2.47 0.14 -0.88 1.43 0.19 -0.88 118.68 121.91 1khx s LEU 338 Ca 0.06 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1khx s LEU 338 Cb -0.13 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.58 1khx s LEU 338 CO 0.02 0.12 0.45 -0.72 0.23 0.00 0.00 176.35 176.45 1khx s TYR 339 N 0.59 -0.22 0.02 0.29 -0.85 -0.96 -1.21 117.35 114.99 1khx s TYR 339 Ca -0.10 -0.08 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 1khx s TYR 339 Cb -0.16 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1khx s TYR 339 CO 0.03 -0.76 -0.14 1.52 -1.52 0.00 0.00 175.55 174.68 1khx s TYR 340 N -3.81 1.25 -0.21 -3.49 -0.85 -0.97 -0.61 117.35 108.65 1khx s TYR 340 Ca 0.04 -0.29 0.01 0.00 -0.52 0.00 0.00 57.07 56.31 1khx s TYR 340 Cb 0.01 -0.77 0.05 0.00 0.38 0.00 0.00 41.96 41.62 1khx s TYR 340 CO -0.10 0.01 -0.11 0.42 -1.52 0.00 0.00 175.55 174.25 1khx s ILE 341 N -0.59 1.81 0.00 -3.49 -1.09 0.06 -4.94 121.20 112.95 1khx s ILE 341 Ca 0.04 -1.17 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1khx s ILE 341 Cb -0.07 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 1khx s ILE 341 CO 0.00 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1khx n GLY 342 N 4.61 3.61 1.72 6.18 0.00 -1.26 -1.53 105.19 118.54 1khx n GLY 342 Ca -0.15 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1khx n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1khx n GLY 343 N 0.00 3.05 3.38 -0.02 0.00 -1.26 -4.94 105.19 105.41 1khx n GLY 343 Ca 0.00 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1khx n GLY 343 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1khx s GLU 344 N -2.57 2.41 -0.07 1.61 2.02 -0.58 -0.43 118.70 121.10 1khx s GLU 344 Ca 0.53 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1khx s GLU 344 Cb 0.39 -2.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1khx s GLU 344 CO 0.17 0.55 -0.11 0.08 0.02 0.00 0.00 175.26 175.97 1khx s VAL 345 N -0.56 3.36 0.16 2.63 1.01 0.12 -0.76 120.40 126.36 1khx s VAL 345 Ca 0.08 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1khx s VAL 345 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1khx s VAL 345 CO 0.01 0.58 -0.15 -0.36 0.00 0.00 0.00 175.10 175.18 1khx s PHE 346 N -0.61 1.61 -0.10 5.22 0.40 0.22 -0.69 117.98 124.02 1khx s PHE 346 Ca 0.09 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1khx s PHE 346 Cb -0.11 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1khx s PHE 346 CO 0.01 0.25 -0.11 0.00 0.70 0.00 0.00 175.22 176.07 1khx s ALA 347 N -2.35 1.44 -0.11 5.36 0.00 -0.53 -2.28 121.76 123.30 1khx s ALA 347 Ca 0.15 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1khx s ALA 347 Cb -0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1khx s ALA 347 CO 0.05 -0.18 -0.15 -2.00 0.00 0.00 0.00 175.76 173.48 1khx s GLU 348 N 1.21 3.12 -0.73 0.00 2.12 -0.06 -1.28 118.70 123.08 1khx s GLU 348 Ca -0.04 -0.72 -0.23 0.00 0.36 0.00 0.00 54.97 54.35 1khx s GLU 348 Cb -0.14 -2.52 0.07 0.00 0.26 0.00 0.00 34.13 31.80 1khx s GLU 348 CO -0.03 0.30 1.06 0.00 -0.54 0.00 0.00 175.26 176.05 1khx h LEU 350 N 11.53 0.00-10.20 0.00 4.07 -1.14 0.17 115.31 119.74 1khx h LEU 350 Ca -0.19 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.24 1khx h LEU 350 Cb 1.06 0.00 0.16 0.00 1.08 0.00 0.00 40.66 42.95 1khx h LEU 350 CO 1.20 0.28 0.37 -0.55 -1.08 0.00 0.00 178.44 178.66 1khx s SER 351 N -6.05 4.11 0.10 -0.43 0.15 -0.22 -4.60 113.70 106.76 1khx s SER 351 Ca 0.03 2.29 0.25 0.00 0.70 0.00 0.00 55.95 59.22 1khx s SER 351 Cb 0.07 -2.58 0.97 0.00 -1.71 0.00 0.00 66.02 62.77 1khx s SER 351 CO 0.75 -2.32 1.78 0.47 1.20 0.00 0.00 173.24 175.12 1khx n ASP 352 N -2.93 0.36 -4.69 5.45 8.00 -1.26 -4.51 116.55 116.97 1khx n ASP 352 Ca 0.13 0.55 -0.26 0.00 0.71 0.00 0.00 54.79 55.92 1khx n ASP 352 Cb 0.51 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1khx n ASP 352 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1khx s SER 353 N -3.68 4.92 0.84 -2.24 0.01 -1.26 -4.80 113.70 107.49 1khx s SER 353 Ca 0.11 -0.36 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 1khx s SER 353 Cb 0.14 -1.09 0.09 0.00 0.21 0.00 0.00 66.02 65.37 1khx s SER 353 CO 0.49 0.07 1.12 0.00 0.41 0.00 0.00 173.24 175.34 1khx s ALA 354 N -1.80 2.13 0.12 1.44 0.00 -1.26 -4.55 121.76 117.84 1khx s ALA 354 Ca 0.29 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1khx s ALA 354 Cb -0.09 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1khx s ALA 354 CO 0.20 -1.91 -0.18 0.96 0.00 0.00 0.00 175.76 174.83 1khx s ILE 355 N -3.25 1.60 -0.14 0.00 -4.36 -0.96 -0.65 121.20 113.45 1khx s ILE 355 Ca 0.62 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 1khx s ILE 355 Cb -0.14 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.00 1khx s ILE 355 CO 0.53 -0.22 -0.19 -0.36 0.24 0.00 0.00 174.94 174.94 1khx s PHE 356 N -1.62 2.42 -0.09 1.37 0.40 -0.02 -0.61 117.98 119.84 1khx s PHE 356 Ca 0.09 -1.24 0.01 0.00 -0.60 0.00 0.00 56.93 55.19 1khx s PHE 356 Cb -0.08 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1khx s PHE 356 CO 0.04 -0.60 -0.12 0.08 0.70 0.00 0.00 175.22 175.33 1khx s VAL 357 N 0.98 3.23 -0.41 -0.44 1.01 0.25 -0.64 120.40 124.39 1khx s VAL 357 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1khx s VAL 357 Cb -0.15 -2.32 0.11 0.00 0.00 0.00 0.00 36.38 34.03 1khx s VAL 357 CO -0.04 0.56 0.14 -1.58 0.00 0.00 0.00 175.10 174.19 1khx s GLN 358 N -0.32 1.71 -0.25 2.72 0.74 0.30 0.23 119.66 124.80 1khx s GLN 358 Ca 0.03 -2.13 0.02 0.00 0.05 0.00 0.00 55.36 53.33 1khx s GLN 358 Cb -0.13 -3.29 0.06 0.00 1.10 0.00 0.00 33.01 30.76 1khx s GLN 358 CO 0.03 -1.01 -0.09 0.45 -0.55 0.00 0.00 175.29 174.11 1khx s SER 359 N 0.58 4.21 0.35 6.67 0.15 -1.26 -2.37 113.70 122.03 1khx s SER 359 Ca 0.13 -1.30 0.07 0.00 0.70 0.00 0.00 55.95 55.55 1khx s SER 359 Cb -0.21 -1.43 0.76 0.00 -1.71 0.00 0.00 66.02 63.43 1khx s SER 359 CO -0.05 -0.20 1.89 -0.65 1.20 0.00 0.00 173.24 175.43 1khx h PRO 360 N 7.84 0.73 -0.48 5.44 0.11 -1.79 0.15 132.00 144.00 1khx h PRO 360 Ca -0.19 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1khx h PRO 360 Cb 1.05 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1khx h PRO 360 CO 0.45 0.48 0.13 -0.97 -0.21 0.00 0.00 178.00 177.88 1khx h ASN 361 N 0.75 0.73 -0.07 -2.05 -0.73 -1.82 -1.37 115.58 111.02 1khx h ASN 361 Ca 0.41 -0.23 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 1khx h ASN 361 Cb 0.56 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 1khx h ASN 361 CO -0.18 0.76 -0.04 0.00 -0.37 0.00 0.00 177.43 177.61 1khx h ASN 363 N -0.25 0.20 -0.54 0.00 2.35 -0.66 -1.67 115.58 115.01 1khx h ASN 363 Ca 0.01 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 1khx h ASN 363 Cb 0.49 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1khx h ASN 363 CO 0.01 0.13 0.18 -0.61 -1.65 0.00 0.00 177.43 175.49 1khx h GLN 364 N 0.39 0.88 -0.83 0.81 4.15 -1.28 0.26 115.11 119.49 1khx h GLN 364 Ca 0.28 -0.17 0.11 0.00 0.77 0.00 0.00 58.65 59.65 1khx h GLN 364 Cb 0.34 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 1khx h GLN 364 CO -0.29 0.76 0.54 -0.09 -1.93 0.00 0.00 178.83 177.83 1khx h ARG 365 N 0.86 0.71 -0.40 1.69 2.43 -1.04 -1.14 114.38 117.49 1khx h ARG 365 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1khx h ARG 365 Cb 0.25 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1khx h ARG 365 CO -0.01 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.58 1khx n TYR 366 N -4.52 0.52 -1.02 2.20 0.53 -0.95 -4.95 117.16 108.96 1khx n TYR 366 Ca 0.15 -0.27 -0.01 0.00 -1.02 0.00 0.00 57.90 56.75 1khx n TYR 366 Cb 0.37 -0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.67 1khx n TYR 366 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1khx n GLY 367 N 1.48 0.40 3.80 2.72 0.00 -0.43 -5.01 105.19 108.15 1khx n GLY 367 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1khx n GLY 367 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1khx s TRP 368 N -1.74 2.77 0.42 1.61 0.51 -0.01 -4.97 118.94 117.53 1khx s TRP 368 Ca 0.00 1.08 -0.26 0.00 -2.12 0.00 0.00 56.10 54.80 1khx s TRP 368 Cb 0.00 -3.18 -0.09 0.00 -0.81 0.00 0.00 33.47 29.39 1khx s TRP 368 CO 0.00 -1.89 1.43 -1.58 -0.51 0.00 0.00 176.95 174.40 1khx s HIS 369 N -3.19 2.56 0.47 -1.98 5.65 -1.26 -4.39 115.29 113.14 1khx s HIS 369 Ca 0.61 1.26 0.23 0.00 0.25 0.00 0.00 55.06 57.41 1khx s HIS 369 Cb -0.14 -3.91 1.25 0.00 -1.18 0.00 0.00 32.58 28.60 1khx s HIS 369 CO 0.54 -2.82 1.88 -1.35 -0.65 0.00 0.00 174.74 172.34 1khx h PRO 370 N 2.61 0.22 -0.36 2.88 0.11 -1.93 0.26 132.00 135.78 1khx h PRO 370 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1khx h PRO 370 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1khx h PRO 370 CO 0.62 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1khx n ALA 371 N -2.60 2.45 -1.69 -0.75 0.00 -1.26 -4.40 120.51 112.26 1khx n ALA 371 Ca 0.18 -0.75 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 1khx n ALA 371 Cb 0.79 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.26 1khx n ALA 371 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1khx n THR 372 N 0.78 2.47 -4.18 0.00 -1.04 0.08 -4.98 114.28 107.41 1khx n THR 372 Ca 0.16 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.34 1khx n THR 372 Cb 0.40 -1.52 -0.15 0.00 -1.82 0.00 0.00 70.33 67.24 1khx n THR 372 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1khx s VAL 373 N -1.19 2.66 -0.21 12.58 -7.23 -1.26 -4.40 120.40 121.35 1khx s VAL 373 Ca 0.60 -0.75 -0.10 0.00 -1.81 0.00 0.00 61.98 59.93 1khx s VAL 373 Cb -0.52 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1khx s VAL 373 CO 0.58 0.50 0.12 0.00 -0.31 0.00 0.00 175.10 175.99 1khx s LYS 375 N 0.54 4.55 -0.39 0.00 2.20 -1.26 -0.58 119.74 124.80 1khx s LYS 375 Ca 0.07 1.25 0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1khx s LYS 375 Cb -0.12 -3.42 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1khx s LYS 375 CO -0.00 0.09 0.14 0.42 -0.36 0.00 0.00 175.35 175.64 1khx s ILE 376 N 0.56 2.74 0.86 5.43 -1.09 0.22 -4.98 121.20 124.93 1khx s ILE 376 Ca 0.45 -2.32 -0.10 0.00 -2.23 0.00 0.00 60.65 56.45 1khx s ILE 376 Cb -0.21 -2.94 0.11 0.00 -1.58 0.00 0.00 42.46 37.84 1khx s ILE 376 CO 0.25 -0.66 1.12 -2.84 -1.23 0.00 0.00 174.94 171.58 1khx s PRO 377 N 0.88 1.54 0.16 2.79 0.02 -1.26 -2.26 135.00 136.87 1khx s PRO 377 Ca 0.11 1.33 -0.34 0.00 0.02 0.00 0.00 61.00 62.12 1khx s PRO 377 Cb -0.21 -1.80 -0.15 0.00 0.02 0.00 0.00 34.50 32.36 1khx s PRO 377 CO -0.06 -2.20 1.32 -2.30 -0.33 0.00 0.00 177.00 173.43 1khx n PRO 378 N -3.92 1.48 0.00 5.54 -0.02 -1.26 -1.30 135.00 135.52 1khx n PRO 378 Ca 0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1khx n PRO 378 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1khx n PRO 378 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1khx n GLY 379 N 2.36 1.99 3.98 -1.23 0.00 0.59 -5.01 105.19 107.87 1khx n GLY 379 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1khx n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khx s ASN 381 N -4.20 0.45 -0.00 0.00 2.20 -1.26 -0.98 114.94 111.15 1khx s ASN 381 Ca 0.47 -0.92 -0.01 0.00 -0.94 0.00 0.00 52.86 51.46 1khx s ASN 381 Cb -0.10 0.19 -0.00 0.00 -2.00 0.00 0.00 41.25 39.34 1khx s ASN 381 CO 0.34 -0.56 0.02 -0.22 -2.94 0.00 0.00 177.10 173.74 1khx s LEU 382 N -2.71 1.96 -0.73 3.54 2.96 -0.41 -4.97 118.68 118.32 1khx s LEU 382 Ca 0.04 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 1khx s LEU 382 Cb 0.05 0.12 0.05 0.00 0.50 0.00 0.00 46.19 46.91 1khx s LEU 382 CO -0.09 -0.09 1.17 -0.75 -1.32 0.00 0.00 176.35 175.28 1khx s LYS 383 N -0.38 3.20 0.08 1.98 2.20 -1.26 -1.45 119.74 124.11 1khx s LYS 383 Ca -0.04 -0.55 0.27 0.00 -0.36 0.00 0.00 55.97 55.29 1khx s LYS 383 Cb -0.03 -4.29 0.94 0.00 -1.51 0.00 0.00 37.83 32.94 1khx s LYS 383 CO -0.00 -2.02 1.77 0.44 -0.36 0.00 0.00 175.35 175.17 1khx n ILE 384 N 6.22 0.23 -3.64 5.43 -5.35 0.13 -4.73 119.36 117.66 1khx n ILE 384 Ca 0.03 -0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 1khx n ILE 384 Cb 0.48 -0.41 -0.07 0.00 -1.74 0.00 0.00 39.64 37.89 1khx n ILE 384 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1khx s PHE 385 N -3.05 -0.73 -0.11 4.28 5.36 -1.05 -3.85 117.98 118.84 1khx s PHE 385 Ca 0.12 1.74 -0.01 0.00 -0.96 0.00 0.00 56.93 57.81 1khx s PHE 385 Cb 0.16 0.26 0.03 0.00 -0.34 0.00 0.00 43.02 43.14 1khx s PHE 385 CO 0.59 -0.38 -0.02 1.21 -1.46 0.00 0.00 175.22 175.16 1khx s ASN 386 N 0.22 2.06 0.27 6.13 3.84 -1.26 -0.70 114.94 125.50 1khx s ASN 386 Ca -0.01 -0.31 -0.04 0.00 0.21 0.00 0.00 52.86 52.72 1khx s ASN 386 Cb -0.04 -0.61 0.35 0.00 -0.55 0.00 0.00 41.25 40.39 1khx s ASN 386 CO 0.02 -0.19 1.89 0.78 -2.79 0.00 0.00 177.10 176.80 1khx h ASN 387 N 8.26 0.97 -0.17 -4.21 2.35 -1.16 -2.60 115.58 119.02 1khx h ASN 387 Ca -0.22 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1khx h ASN 387 Cb 1.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1khx h ASN 387 CO 0.32 0.79 0.02 1.56 -1.65 0.00 0.00 177.43 178.47 1khx h GLN 388 N 1.08 0.08 -0.58 0.81 4.20 -1.97 0.24 115.11 118.97 1khx h GLN 388 Ca 0.27 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1khx h GLN 388 Cb 0.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1khx h GLN 388 CO -0.04 0.05 0.37 0.93 -0.67 0.00 0.00 178.83 179.47 1khx h GLU 389 N 0.08 0.72 -0.15 1.46 5.08 -1.94 -0.86 114.58 118.98 1khx h GLU 389 Ca 0.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1khx h GLU 389 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1khx h GLU 389 CO -0.12 0.47 0.05 0.35 -1.00 0.00 0.00 179.01 178.77 1khx h PHE 390 N 0.74 0.23 -0.85 4.33 3.57 -1.05 -1.29 116.94 122.62 1khx h PHE 390 Ca 0.23 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1khx h PHE 390 Cb -0.03 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1khx h PHE 390 CO -0.05 0.34 0.52 0.00 -2.23 0.00 0.00 178.31 176.89 1khx h ALA 391 N 0.86 1.20 -0.62 2.41 0.00 -0.29 0.15 119.26 122.97 1khx h ALA 391 Ca 0.05 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1khx h ALA 391 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1khx h ALA 391 CO -0.00 0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.52 1khx h ALA 392 N 1.43 0.83 -0.54 0.00 0.00 -0.94 -0.59 119.26 119.46 1khx h ALA 392 Ca 0.39 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1khx h ALA 392 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1khx h ALA 392 CO -0.20 0.63 0.00 1.25 0.00 0.00 0.00 179.25 180.92 1khx h LEU 393 N 0.97 0.93 -0.60 0.00 5.85 -0.37 -2.39 115.31 119.69 1khx h LEU 393 Ca 0.18 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1khx h LEU 393 Cb 0.49 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1khx h LEU 393 CO 0.02 1.01 0.33 0.25 -0.34 0.00 0.00 178.44 179.71 1khx h LEU 394 N 0.82 0.74 -0.70 2.25 5.85 -0.46 0.68 115.31 124.49 1khx h LEU 394 Ca 0.15 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1khx h LEU 394 Cb 0.53 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1khx h LEU 394 CO 0.03 0.62 0.46 0.00 -0.34 0.00 0.00 178.44 179.20 1khx h ALA 395 N 1.16 0.90 0.00 1.25 0.00 -0.89 -2.28 119.26 119.39 1khx h ALA 395 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1khx h ALA 395 Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1khx h ALA 395 CO -0.04 0.28 -0.09 -0.56 0.00 0.00 0.00 179.25 178.85 1khx h GLN 396 N 0.92 0.00 -0.07 0.00 3.07 -1.12 -3.28 115.11 114.64 1khx h GLN 396 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.96 1khx h GLN 396 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.48 1khx h GLN 396 CO -0.07 0.00 -0.17 0.77 0.09 0.00 0.00 178.83 179.45 1khx h SER 397 N 0.00 0.10 -0.71 0.06 0.02 -0.26 -3.02 113.55 109.74 1khx h SER 397 Ca 0.00 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1khx h SER 397 Cb 0.87 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.30 1khx h SER 397 CO 0.00 0.29 0.33 -0.37 -1.14 0.00 0.00 176.83 175.94 1khx h VAL 398 N 0.10 0.80 0.00 2.27 -1.51 -1.61 0.30 116.25 116.59 1khx h VAL 398 Ca 0.02 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1khx h VAL 398 Cb 0.37 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 1khx h VAL 398 CO 0.02 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 177.06 1khx n ASN 399 N -4.90 0.00 0.00 4.19 5.03 -1.14 -1.11 115.26 117.33 1khx n ASN 399 Ca 0.12 0.11 0.11 0.00 0.87 0.00 0.00 54.58 55.78 1khx n ASN 399 Cb 0.31 -0.24 -0.12 0.00 -1.02 0.00 0.00 39.78 38.71 1khx n ASN 399 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1khx n GLN 400 N -1.24 0.41 0.00 3.52 1.13 0.10 -5.10 117.38 116.21 1khx n GLN 400 Ca 0.04 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1khx n GLN 400 Cb 0.06 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1khx n GLN 400 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1khx n GLY 401 N 1.34 0.27 0.33 1.08 0.00 -0.27 -4.32 105.19 103.62 1khx n GLY 401 Ca -0.01 -1.80 0.27 0.00 0.00 0.00 0.00 46.02 44.49 1khx n GLY 401 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1khx h PHE 402 N 0.00 0.62 -0.27 1.61 3.04 -1.86 -1.37 116.94 118.71 1khx h PHE 402 Ca 0.00 0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1khx h PHE 402 Cb 0.00 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.35 1khx h PHE 402 CO 0.00 -0.44 -0.39 1.05 -2.02 0.00 0.00 178.31 176.51 1khx h GLU 403 N 0.03 -0.28 -0.26 1.11 4.11 -1.94 0.18 114.58 117.54 1khx h GLU 403 Ca 0.78 0.02 -0.12 0.00 0.07 0.00 0.00 59.36 60.11 1khx h GLU 403 Cb 1.94 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 1khx h GLU 403 CO -0.79 -0.18 -0.32 0.00 0.07 0.00 0.00 179.01 177.78 1khx h ALA 404 N -0.45 0.95 -0.51 1.06 0.00 -1.45 -3.01 119.26 115.85 1khx h ALA 404 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1khx h ALA 404 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1khx h ALA 404 CO -0.40 0.61 -0.18 0.28 0.00 0.00 0.00 179.25 179.56 1khx h VAL 405 N 0.47 1.27 -0.54 0.00 2.07 -1.14 -3.04 116.25 115.33 1khx h VAL 405 Ca 0.05 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1khx h VAL 405 Cb 0.79 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1khx h VAL 405 CO 0.06 0.47 0.15 0.22 0.02 0.00 0.00 177.57 178.49 1khx h TYR 406 N 0.88 0.84 0.00 1.57 5.03 -0.61 -2.46 116.97 122.21 1khx h TYR 406 Ca 0.12 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1khx h TYR 406 Cb 0.75 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1khx h TYR 406 CO 0.05 0.69 0.00 1.04 -1.32 0.00 0.00 178.16 178.62 1khx n GLN 407 N -4.29 0.03 0.00 1.82 1.13 -1.14 -3.31 117.38 111.62 1khx n GLN 407 Ca 0.04 0.17 0.07 0.00 -1.94 0.00 0.00 57.00 55.34 1khx n GLN 407 Cb 0.21 -1.50 0.31 0.00 0.11 0.00 0.00 30.24 29.37 1khx n GLN 407 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1khx n LEU 408 N -1.48 0.00 0.20 1.08 4.77 -0.93 -2.37 117.00 118.28 1khx n LEU 408 Ca 0.05 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.51 1khx n LEU 408 Cb 0.21 -0.41 0.57 0.00 -2.33 0.00 0.00 43.42 41.46 1khx n LEU 408 CO 0.17 -0.23 1.06 0.71 -1.33 0.00 0.00 177.39 177.77 1khx h THR 409 N 0.00 1.04 -0.04 -5.08 1.35 -1.77 -0.21 112.91 108.20 1khx h THR 409 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1khx h THR 409 Cb 0.19 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1khx h THR 409 CO 0.00 0.05 -0.04 0.03 -0.25 0.00 0.00 175.52 175.31 1khx h ARG 410 N 0.11 0.06 0.00 4.72 3.08 -1.77 -0.67 114.38 119.91 1khx h ARG 410 Ca 0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1khx h ARG 410 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1khx h ARG 410 CO -0.00 0.10 -0.06 0.52 -1.07 0.00 0.00 179.97 179.46 1khx h MET 411 N 0.06 0.00 -0.09 0.04 2.86 -1.23 -2.52 114.93 114.05 1khx h MET 411 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1khx h MET 411 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1khx h MET 411 CO 0.01 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.03 1khx s THR 413 N -1.90 2.81 -0.05 0.00 2.01 -0.95 -1.35 115.64 116.21 1khx s THR 413 Ca 0.35 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1khx s THR 413 Cb 0.20 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.63 1khx s THR 413 CO 0.31 0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.14 1khx s ILE 414 N -0.37 0.51 -0.08 1.82 1.01 -0.50 -4.50 121.20 119.10 1khx s ILE 414 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1khx s ILE 414 Cb -0.12 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1khx s ILE 414 CO 0.02 0.23 -0.08 -0.13 0.00 0.00 0.00 174.94 174.98 1khx s ARG 415 N 1.05 2.82 -0.01 2.79 0.52 -1.00 -0.23 118.95 124.89 1khx s ARG 415 Ca -0.09 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1khx s ARG 415 Cb -0.14 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.75 1khx s ARG 415 CO -0.01 0.60 -0.04 -1.64 0.02 0.00 0.00 175.30 174.23 1khx s MET 416 N -0.64 0.35 -0.06 3.54 -1.94 -0.49 -0.54 119.30 119.52 1khx s MET 416 Ca 0.10 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 53.97 1khx s MET 416 Cb -0.11 -0.35 -0.03 0.00 2.01 0.00 0.00 34.83 36.34 1khx s MET 416 CO 0.02 0.06 -0.10 0.45 -0.01 0.00 0.00 175.02 175.44 1khx s SER 417 N 0.04 4.41 -0.06 3.03 0.15 0.19 -0.62 113.70 120.84 1khx s SER 417 Ca -0.00 -0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 1khx s SER 417 Cb -0.03 -1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 63.17 1khx s SER 417 CO -0.00 0.35 0.43 -0.36 1.20 0.00 0.00 173.24 174.86 1khx s PHE 418 N -0.77 3.62 0.00 3.44 0.08 -0.22 -0.84 117.98 123.29 1khx s PHE 418 Ca 0.12 0.93 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1khx s PHE 418 Cb -0.11 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 1khx s PHE 418 CO 0.01 0.41 0.00 0.28 -0.10 0.00 0.00 175.22 175.82 1khx n VAL 419 N 2.74 0.00 -3.43 -0.44 0.31 0.18 -4.65 118.33 113.04 1khx n VAL 419 Ca -0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 1khx n VAL 419 Cb 0.52 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 1khx n VAL 419 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1khx s LYS 420 N 0.00 4.21 0.57 5.55 -0.14 -1.26 -4.68 119.74 123.99 1khx s LYS 420 Ca 0.00 0.32 -0.02 0.00 -1.36 0.00 0.00 55.97 54.91 1khx s LYS 420 Cb 0.00 -3.39 0.03 0.00 -1.68 0.00 0.00 37.83 32.79 1khx s LYS 420 CO 0.00 0.30 0.83 0.20 -0.76 0.00 0.00 175.35 175.92 1khx s GLY 421 N 0.20 1.70 0.19 -3.33 0.00 -1.26 -4.74 107.32 100.08 1khx s GLY 421 Ca 0.22 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 1khx s GLY 421 CO 0.09 -0.78 0.42 0.66 0.00 0.00 0.00 173.10 173.49 1khx s TRP 422 N -2.87 0.12 0.00 1.90 -2.14 -1.26 -4.59 118.94 110.09 1khx s TRP 422 Ca 0.55 -0.47 0.00 0.00 2.66 0.00 0.00 56.10 58.84 1khx s TRP 422 Cb -0.10 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 1khx s TRP 422 CO 0.41 -0.84 0.00 0.41 -2.66 0.00 0.00 176.95 174.26 1khx n GLY 423 N -0.29 -1.82 3.57 3.67 0.00 0.06 -4.77 105.19 105.61 1khx n GLY 423 Ca -0.08 -1.86 -0.50 0.00 0.00 0.00 0.00 46.02 43.58 1khx n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1khx n ALA 424 N 0.39 -1.08 0.00 4.61 0.00 -1.26 -2.38 120.51 120.79 1khx n ALA 424 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1khx n ALA 424 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1khx n ALA 424 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1khx n GLU 425 N 1.82 0.00 -1.70 0.00 2.13 -1.26 -5.00 120.64 116.62 1khx n GLU 425 Ca 0.16 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.65 1khx n GLU 425 Cb 0.23 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.99 1khx n GLU 425 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1khx s TYR 426 N 0.00 2.58 0.05 4.31 2.02 -1.00 -4.96 117.35 120.35 1khx s TYR 426 Ca 0.00 1.56 -0.21 0.00 -0.37 0.00 0.00 57.07 58.04 1khx s TYR 426 Cb 0.00 -3.18 -0.13 0.00 -0.40 0.00 0.00 41.96 38.25 1khx s TYR 426 CO 0.00 -1.75 1.46 -0.09 -1.57 0.00 0.00 175.55 173.59 1khx h ARG 427 N -0.06 0.24 -6.64 -0.62 1.12 -1.89 -3.42 114.38 103.11 1khx h ARG 427 Ca -0.47 -0.09 -0.52 0.00 -1.11 0.00 0.00 59.98 57.80 1khx h ARG 427 Cb 1.25 -0.02 0.06 0.00 -0.01 0.00 0.00 29.97 31.25 1khx h ARG 427 CO 0.54 0.51 1.02 1.03 -3.11 0.00 0.00 179.97 179.95 1khx s ARG 428 N -4.86 4.13 -0.02 0.20 0.52 -1.26 -4.90 118.95 112.76 1khx s ARG 428 Ca -0.14 2.60 0.16 0.00 -0.52 0.00 0.00 55.73 57.82 1khx s ARG 428 Cb 0.05 -3.13 -0.24 0.00 0.52 0.00 0.00 34.95 32.15 1khx s ARG 428 CO 0.71 -0.76 0.36 1.04 0.02 0.00 0.00 175.30 176.67 1khx n GLN 429 N 4.17 0.52 -4.27 3.54 1.13 -1.26 -0.76 117.38 120.45 1khx n GLN 429 Ca 0.16 -0.14 -0.16 0.00 -1.94 0.00 0.00 57.00 54.92 1khx n GLN 429 Cb 0.36 -1.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.23 1khx n GLN 429 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1khx s THR 430 N -3.08 1.33 0.35 5.09 -4.23 -1.26 -3.87 115.64 109.97 1khx s THR 430 Ca -0.05 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1khx s THR 430 Cb 0.10 -1.88 0.19 0.00 1.34 0.00 0.00 72.50 72.25 1khx s THR 430 CO 0.66 -0.69 1.92 -0.37 -0.54 0.00 0.00 174.62 175.60 1khx h VAL 431 N 2.77 1.17 0.00 2.29 -1.51 -1.97 -1.58 116.25 117.43 1khx h VAL 431 Ca -0.37 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1khx h VAL 431 Cb 1.20 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1khx h VAL 431 CO 0.62 0.22 0.00 0.35 -1.23 0.00 0.00 177.57 177.54 1khx n THR 432 N -4.34 0.93 1.09 7.19 -2.24 -1.26 -1.06 114.28 114.59 1khx n THR 432 Ca 0.02 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 1khx n THR 432 Cb 0.19 -1.04 0.19 0.00 -2.10 0.00 0.00 70.33 67.57 1khx n THR 432 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1khx n SER 433 N -1.38 1.03 -4.83 3.42 7.64 -0.59 -3.20 113.62 115.71 1khx n SER 433 Ca 0.04 -0.82 -0.37 0.00 1.01 0.00 0.00 58.87 58.74 1khx n SER 433 Cb 0.11 0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1khx n SER 433 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1khx s THR 434 N -2.73 4.80 0.16 0.44 -4.23 -0.22 -4.94 115.64 108.93 1khx s THR 434 Ca 0.17 1.00 -0.15 0.00 -1.18 0.00 0.00 61.69 61.53 1khx s THR 434 Cb 0.18 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 70.26 1khx s THR 434 CO 0.64 0.38 1.81 -0.65 -0.54 0.00 0.00 174.62 176.26 1khx h PRO 435 N 3.98 0.64 -3.40 3.99 0.11 -1.90 -2.22 132.00 133.20 1khx h PRO 435 Ca -0.49 -0.05 -0.45 0.00 0.11 0.00 0.00 66.00 65.12 1khx h PRO 435 Cb 1.20 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 1khx h PRO 435 CO 0.65 0.45 -0.76 0.00 -0.21 0.00 0.00 178.00 178.13 1khx s TRP 437 N 2.04 0.33 0.18 0.00 1.48 -0.79 -1.06 118.94 121.12 1khx s TRP 437 Ca 0.03 -0.80 0.08 0.00 -1.06 0.00 0.00 56.10 54.35 1khx s TRP 437 Cb -0.14 -0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 31.93 1khx s TRP 437 CO -0.06 -0.50 -0.16 0.96 -4.06 0.00 0.00 176.95 173.12 1khx s ILE 438 N -3.90 1.75 -0.20 0.66 -0.00 0.21 -0.38 121.20 119.35 1khx s ILE 438 Ca 0.07 -2.01 0.01 0.00 -0.00 0.00 0.00 60.65 58.72 1khx s ILE 438 Cb 0.06 -1.89 0.04 0.00 -0.00 0.00 0.00 42.46 40.67 1khx s ILE 438 CO -0.09 -0.43 -0.11 -0.70 -0.00 0.00 0.00 174.94 173.61 1khx s GLU 439 N -3.09 2.15 -0.15 0.37 2.12 0.67 -1.40 118.70 119.36 1khx s GLU 439 Ca 0.18 -0.87 -0.08 0.00 0.36 0.00 0.00 54.97 54.55 1khx s GLU 439 Cb -0.04 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1khx s GLU 439 CO 0.06 -0.41 0.12 -1.17 -0.54 0.00 0.00 175.26 173.32 1khx s LEU 440 N 1.36 4.22 -0.15 2.70 0.20 0.68 -1.28 118.68 126.40 1khx s LEU 440 Ca -0.01 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.14 1khx s LEU 440 Cb -0.16 -2.05 -0.00 0.00 -0.43 0.00 0.00 46.19 43.55 1khx s LEU 440 CO -0.08 0.30 -0.17 -1.00 -0.29 0.00 0.00 176.35 175.11 1khx s HIS 441 N -0.37 2.76 -0.48 5.38 3.76 -0.24 -1.41 115.29 124.69 1khx s HIS 441 Ca 0.11 -1.07 -0.20 0.00 -0.15 0.00 0.00 55.06 53.75 1khx s HIS 441 Cb -0.12 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.75 1khx s HIS 441 CO 0.01 -0.48 0.65 -0.51 -0.85 0.00 0.00 174.74 173.57 1khx s LEU 442 N 0.77 4.69 0.30 0.89 1.43 -0.46 -1.87 118.68 124.44 1khx s LEU 442 Ca -0.06 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 1khx s LEU 442 Cb -0.15 -2.59 0.48 0.00 0.03 0.00 0.00 46.19 43.96 1khx s LEU 442 CO 0.00 -0.87 1.77 0.78 0.23 0.00 0.00 176.35 178.26 1khx h ASN 443 N 8.97 0.46 0.32 2.29 2.35 -1.61 -2.39 115.58 125.97 1khx h ASN 443 Ca -0.26 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1khx h ASN 443 Cb 1.09 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1khx h ASN 443 CO 0.94 0.66 -0.15 1.23 -1.65 0.00 0.00 177.43 178.46 1khx h GLY 444 N 0.97 -0.45 0.74 2.83 0.00 -1.87 -1.36 103.07 103.93 1khx h GLY 444 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1khx h GLY 444 CO 0.04 -0.16 0.57 -2.55 0.00 0.00 0.00 176.54 174.43 1khx h PRO 445 N -0.52 1.01 -0.78 4.80 0.11 -1.92 -1.27 132.00 133.42 1khx h PRO 445 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1khx h PRO 445 Cb 0.39 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 1khx h PRO 445 CO 0.07 0.67 0.46 -0.07 -0.21 0.00 0.00 178.00 178.91 1khx h LEU 446 N 1.04 0.94 -0.50 2.35 3.38 -1.18 0.24 115.31 121.58 1khx h LEU 446 Ca 0.39 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 1khx h LEU 446 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1khx h LEU 446 CO -0.17 0.74 -0.34 -0.61 0.09 0.00 0.00 178.44 178.15 1khx h GLN 447 N 1.08 0.86 -0.54 1.13 4.15 -0.42 -0.94 115.11 120.43 1khx h GLN 447 Ca 0.28 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1khx h GLN 447 Cb -0.02 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1khx h GLN 447 CO -0.05 1.07 0.36 -1.49 -1.93 0.00 0.00 178.83 176.79 1khx h TRP 448 N 0.72 0.69 -0.79 3.99 6.55 -0.60 -1.98 115.95 124.52 1khx h TRP 448 Ca 0.07 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.89 1khx h TRP 448 Cb 0.91 -0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 28.94 1khx h TRP 448 CO 0.05 0.44 0.37 1.25 -1.05 0.00 0.00 178.44 179.49 1khx h LEU 449 N 0.74 1.04 -0.70 -4.49 6.46 -0.75 -2.75 115.31 114.86 1khx h LEU 449 Ca 0.20 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1khx h LEU 449 Cb -0.08 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.54 1khx h LEU 449 CO -0.04 0.88 0.44 -0.78 -0.62 0.00 0.00 178.44 178.32 1khx h ASP 450 N 1.13 0.74 -0.16 1.25 3.58 -0.46 0.16 116.42 122.66 1khx h ASP 450 Ca 0.27 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.76 1khx h ASP 450 Cb 0.13 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1khx h ASP 450 CO -0.03 0.52 0.14 0.11 -2.88 0.00 0.00 179.24 177.09 1khx h LYS 451 N 0.87 0.00 0.03 0.28 1.57 -1.10 -1.80 116.57 116.43 1khx h LYS 451 Ca 0.27 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.77 1khx h LYS 451 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1khx h LYS 451 CO -0.10 0.00 -1.59 0.28 -0.57 0.00 0.00 179.45 177.48 1khx n VAL 452 N -4.18 1.60 -0.35 0.50 0.31 -0.68 -4.37 118.33 111.16 1khx n VAL 452 Ca 0.01 -0.24 0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1khx n VAL 452 Cb 0.26 -1.93 0.24 0.00 -0.91 0.00 0.00 33.84 31.50 1khx n VAL 452 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1khx h LEU 453 N -0.69 0.87 0.00 7.52 3.38 -0.45 -0.19 115.31 125.75 1khx h LEU 453 Ca -0.40 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1khx h LEU 453 Cb 1.54 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1khx h LEU 453 CO -0.14 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.17 1khx n THR 454 N -4.67 1.28 -0.04 0.22 -2.24 -0.70 -2.01 114.28 106.13 1khx n THR 454 Ca 0.19 0.32 0.03 0.00 -2.27 0.00 0.00 64.05 62.32 1khx n THR 454 Cb 0.38 -1.16 0.07 0.00 -2.10 0.00 0.00 70.33 67.53 1khx n THR 454 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1khx n GLN 455 N -1.47 2.40 -0.25 -0.78 1.13 -0.10 -4.63 117.38 113.67 1khx n GLN 455 Ca 0.03 -1.64 0.10 0.00 -1.94 0.00 0.00 57.00 53.54 1khx n GLN 455 Cb 0.11 -1.14 0.26 0.00 0.11 0.00 0.00 30.24 29.57 1khx n GLN 455 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1khx n MET 456 N 0.11 2.28 0.00 -1.09 2.81 -0.85 -5.07 117.12 115.31 1khx n MET 456 Ca 0.06 -1.97 0.00 0.00 -1.81 0.00 0.00 57.70 53.98 1khx n MET 456 Cb 0.31 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1khx n MET 456 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1khx n GLY 457 N 1.39 0.01 3.81 3.03 0.00 -1.26 -4.33 105.19 107.84 1khx n GLY 457 Ca 0.19 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1khx n GLY 457 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1khx s SER 458 N -4.00 4.86 1.06 1.61 1.04 -1.26 -4.97 113.70 112.03 1khx s SER 458 Ca 0.00 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 1khx s SER 458 Cb 0.00 -0.62 0.17 0.00 0.10 0.00 0.00 66.02 65.66 1khx s SER 458 CO 0.00 -0.53 0.70 -2.65 0.98 0.00 0.00 173.24 171.74 1khx n PRO 459 N -1.38 -1.37 -0.05 4.02 -0.02 -1.26 -4.93 135.00 130.00 1khx n PRO 459 Ca 0.01 -0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.10 1khx n PRO 459 Cb 0.62 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1khx n PRO 459 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1khx h SER 460 N -2.14 0.00 -3.33 2.55 0.02 -2.00 -3.46 113.55 105.19 1khx h SER 460 Ca -0.52 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.91 1khx h SER 460 Cb 1.31 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.89 1khx h SER 460 CO 0.42 0.55 0.70 -0.69 -1.14 0.00 0.00 176.83 176.67 1khx s VAL 461 N -1.87 3.03 0.26 2.27 1.01 -1.26 -4.95 120.40 118.89 1khx s VAL 461 Ca -0.09 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1khx s VAL 461 Cb 0.01 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.75 1khx s VAL 461 CO 0.14 0.12 1.46 -0.13 0.00 0.00 0.00 175.10 176.69 1khx s ARG 462 N -0.03 4.25 -0.34 2.72 0.52 -1.26 -5.03 118.95 119.77 1khx s ARG 462 Ca 0.59 2.34 0.01 0.00 -0.52 0.00 0.00 55.73 58.15 1khx s ARG 462 Cb -0.38 -3.10 0.09 0.00 0.52 0.00 0.00 34.95 32.08 1khx s ARG 462 CO 0.39 -0.44 0.05 0.00 0.02 0.00 0.00 175.30 175.32 1khx n SER 464 N 4.41 0.00 0.00 0.00 3.41 -1.26 -5.27 113.62 114.92 1khx n SER 464 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1khx n SER 464 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1khx n SER 464 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11