#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r17 s SER 277 N 0.00 0.82 0.05 1.61 1.04 -1.26 -4.89 113.70 111.07 1r17 s SER 277 Ca 0.00 -1.44 -0.31 0.00 0.48 0.00 0.00 55.95 54.68 1r17 s SER 277 Cb 0.00 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 1r17 s SER 277 CO 0.00 -0.83 1.28 0.21 0.98 0.00 0.00 173.24 174.88 1r17 s ASN 278 N -3.26 6.97 -0.27 7.02 3.84 -1.26 -1.07 114.94 126.91 1r17 s ASN 278 Ca 0.38 2.08 0.09 0.00 0.21 0.00 0.00 52.86 55.62 1r17 s ASN 278 Cb 0.07 -2.57 0.45 0.00 -0.55 0.00 0.00 41.25 38.64 1r17 s ASN 278 CO 0.15 -0.57 1.19 1.33 -2.79 0.00 0.00 177.10 176.41 1r17 n VAL 279 N 4.15 2.38 0.26 -5.21 0.24 0.67 -4.75 118.33 116.08 1r17 n VAL 279 Ca 0.11 -3.92 0.10 0.00 -2.04 0.00 0.00 64.34 58.58 1r17 n VAL 279 Cb 0.45 -0.82 0.70 0.00 -1.47 0.00 0.00 33.84 32.69 1r17 n VAL 279 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1r17 h ASN 280 N 1.94 0.00 0.60 -1.34 -0.26 -1.92 0.78 115.58 115.38 1r17 h ASN 280 Ca 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 1r17 h ASN 280 Cb 1.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.68 1r17 h ASN 280 CO 0.57 0.05 0.00 0.00 -1.06 0.00 0.00 177.43 176.98 1r17 n HIS 281 N -4.24 0.00 -0.13 1.19 1.44 -1.26 -2.37 115.22 109.84 1r17 n HIS 281 Ca -0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.76 1r17 n HIS 281 Cb 0.13 -0.41 0.19 0.00 0.12 0.00 0.00 29.99 30.02 1r17 n HIS 281 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1r17 n LEU 282 N -1.41 3.12 -4.45 2.39 4.77 0.26 -4.92 117.00 116.77 1r17 n LEU 282 Ca 0.08 -1.88 -0.36 0.00 -0.03 0.00 0.00 56.01 53.82 1r17 n LEU 282 Cb 0.22 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1r17 n LEU 282 CO 0.19 0.76 -0.31 -0.63 -1.33 0.00 0.00 177.39 176.07 1r17 s ILE 283 N -1.03 4.11 -0.37 -0.08 -1.09 -1.00 -1.88 121.20 119.86 1r17 s ILE 283 Ca 0.29 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 1r17 s ILE 283 Cb 0.16 -2.89 0.08 0.00 -1.58 0.00 0.00 42.46 38.22 1r17 s ILE 283 CO 0.21 0.39 0.14 -0.75 -1.23 0.00 0.00 174.94 173.70 1r17 s LYS 284 N 1.26 2.34 -0.15 2.79 2.20 -0.82 -4.72 119.74 122.64 1r17 s LYS 284 Ca 0.04 -1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 53.87 1r17 s LYS 284 Cb -0.15 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1r17 s LYS 284 CO 0.02 -0.86 1.18 0.08 -0.36 0.00 0.00 175.35 175.42 1r17 s VAL 285 N 1.27 4.39 -0.52 4.02 1.01 -1.26 -0.86 120.40 128.45 1r17 s VAL 285 Ca 0.02 1.69 0.19 0.00 0.00 0.00 0.00 61.98 63.88 1r17 s VAL 285 Cb -0.21 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 1r17 s VAL 285 CO -0.01 -0.10 0.65 0.35 0.00 0.00 0.00 175.10 175.99 1r17 n THR 286 N 5.11 0.00 -3.60 3.92 -2.24 0.25 -4.97 114.28 112.74 1r17 n THR 286 Ca 0.12 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1r17 n THR 286 Cb 0.46 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 1r17 n THR 286 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1r17 s ASP 287 N -3.46 -0.70 -0.03 3.42 1.11 -1.11 -4.97 116.67 110.93 1r17 s ASP 287 Ca 0.01 1.17 -0.19 0.00 0.18 0.00 0.00 52.55 53.72 1r17 s ASP 287 Cb 0.14 1.12 0.04 0.00 1.07 0.00 0.00 42.92 45.29 1r17 s ASP 287 CO 0.81 -0.37 0.41 -1.10 1.18 0.00 0.00 175.17 176.09 1r17 s GLN 288 N -0.17 0.76 -0.16 8.23 -0.21 -1.26 -0.79 119.66 126.07 1r17 s GLN 288 Ca -0.04 -0.05 -0.29 0.00 0.02 0.00 0.00 55.36 55.00 1r17 s GLN 288 Cb -0.03 0.35 0.11 0.00 1.00 0.00 0.00 33.01 34.43 1r17 s GLN 288 CO 0.04 -0.22 0.90 -1.54 -2.12 0.00 0.00 175.29 172.35 1r17 s SER 289 N -1.23 -0.49 -0.22 5.90 1.04 0.03 -4.98 113.70 113.75 1r17 s SER 289 Ca -0.12 0.63 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1r17 s SER 289 Cb -0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1r17 s SER 289 CO 0.06 -0.38 -0.12 -0.63 0.98 0.00 0.00 173.24 173.15 1r17 s ILE 290 N -0.82 2.56 -0.06 -1.02 1.01 -1.26 -1.16 121.20 120.46 1r17 s ILE 290 Ca -0.03 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1r17 s ILE 290 Cb -0.01 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1r17 s ILE 290 CO 0.03 0.36 -0.25 -0.89 0.00 0.00 0.00 174.94 174.19 1r17 s THR 291 N 1.32 2.01 0.34 2.92 2.01 0.27 -4.94 115.64 119.55 1r17 s THR 291 Ca 0.02 -1.04 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 1r17 s THR 291 Cb -0.15 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.57 1r17 s THR 291 CO -0.08 0.56 1.10 -1.61 -0.69 0.00 0.00 174.62 173.90 1r17 s GLU 292 N -0.16 4.39 0.27 4.92 2.02 -1.26 -0.14 118.70 128.74 1r17 s GLU 292 Ca -0.03 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 56.66 1r17 s GLU 292 Cb -0.14 -2.90 0.42 0.00 0.10 0.00 0.00 34.13 31.61 1r17 s GLU 292 CO 0.03 0.01 1.88 0.78 0.02 0.00 0.00 175.26 177.99 1r17 h GLY 293 N 3.20 1.53 -2.32 -1.39 0.00 -0.52 -3.44 103.07 100.14 1r17 h GLY 293 Ca -0.48 -0.47 -0.50 0.00 0.00 0.00 0.00 47.33 45.88 1r17 h GLY 293 CO 0.65 0.33 -0.42 -0.19 0.00 0.00 0.00 176.54 176.91 1r17 s TYR 294 N -6.03 2.78 -0.57 5.60 2.02 -1.26 -4.91 117.35 114.98 1r17 s TYR 294 Ca -0.12 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1r17 s TYR 294 Cb 0.20 -1.98 0.08 0.00 -0.40 0.00 0.00 41.96 39.86 1r17 s TYR 294 CO 0.81 0.04 0.85 -0.25 -1.57 0.00 0.00 175.55 175.43 1r17 n ASP 295 N -1.44 1.83 -0.96 2.29 9.92 -1.26 -4.66 116.55 122.26 1r17 n ASP 295 Ca 0.01 -1.53 0.08 0.00 -0.53 0.00 0.00 54.79 52.82 1r17 n ASP 295 Cb 0.61 -0.04 0.27 0.00 -0.64 0.00 0.00 41.12 41.31 1r17 n ASP 295 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1r17 n ASP 296 N 0.17 3.99 -2.69 -2.24 3.85 -1.26 -4.57 116.55 113.80 1r17 n ASP 296 Ca 0.04 -2.96 -0.07 0.00 -0.71 0.00 0.00 54.79 51.09 1r17 n ASP 296 Cb 0.21 -0.54 0.09 0.00 -1.35 0.00 0.00 41.12 39.53 1r17 n ASP 296 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1r17 n SER 297 N -0.37 -0.58 -4.73 -1.12 3.41 -1.26 -5.13 113.62 103.84 1r17 n SER 297 Ca 0.21 -2.50 -0.42 0.00 -0.26 0.00 0.00 58.87 55.90 1r17 n SER 297 Cb 0.90 0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 65.24 1r17 n SER 297 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1r17 n ASP 298 N -0.49 3.15 0.00 4.04 9.92 -1.26 -1.59 116.55 130.31 1r17 n ASP 298 Ca 0.00 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 1r17 n ASP 298 Cb 0.84 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1r17 n ASP 298 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r17 n GLY 299 N 0.65 2.28 3.10 0.44 0.00 -1.26 -5.00 105.19 105.40 1r17 n GLY 299 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1r17 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r17 s ILE 300 N -2.62 1.49 -0.43 -0.61 1.01 -0.62 -0.80 121.20 118.62 1r17 s ILE 300 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1r17 s ILE 300 Cb 0.00 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1r17 s ILE 300 CO 0.00 0.43 0.37 -0.63 0.00 0.00 0.00 174.94 175.12 1r17 s ILE 301 N 0.54 5.19 -1.35 2.92 -1.09 0.37 -4.84 121.20 122.94 1r17 s ILE 301 Ca -0.16 -0.67 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 1r17 s ILE 301 Cb -0.17 -4.02 0.08 0.00 -1.58 0.00 0.00 42.46 36.77 1r17 s ILE 301 CO 0.06 -0.43 1.91 0.29 -1.23 0.00 0.00 174.94 175.53 1r17 n LYS 302 N 5.33 3.13 -0.27 2.79 4.76 -1.26 -1.69 118.16 130.95 1r17 n LYS 302 Ca -0.10 -3.11 0.17 0.00 -2.87 0.00 0.00 58.31 52.40 1r17 n LYS 302 Cb 0.46 -3.32 0.46 0.00 -1.84 0.00 0.00 35.03 30.79 1r17 n LYS 302 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r17 h ALA 303 N 6.76 2.06 -0.08 7.82 0.00 -1.79 0.10 119.26 134.13 1r17 h ALA 303 Ca 0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1r17 h ALA 303 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1r17 h ALA 303 CO 1.62 -0.36 0.00 0.72 0.00 0.00 0.00 179.25 181.23 1r17 n HIS 304 N -4.56 0.11 -0.26 0.00 8.25 -1.26 -2.08 115.22 115.41 1r17 n HIS 304 Ca 0.20 -0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.65 1r17 n HIS 304 Cb 0.65 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.87 1r17 n HIS 304 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1r17 n ASP 305 N -0.30 2.69 -1.69 0.41 10.43 -0.02 -4.96 116.55 123.11 1r17 n ASP 305 Ca 0.12 -2.18 -0.17 0.00 2.57 0.00 0.00 54.79 55.14 1r17 n ASP 305 Cb 0.15 -0.20 -0.03 0.00 1.84 0.00 0.00 41.12 42.88 1r17 n ASP 305 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1r17 n ALA 306 N -0.05 -0.41 -2.22 2.24 0.00 -0.88 -4.96 120.51 114.23 1r17 n ALA 306 Ca 0.09 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1r17 n ALA 306 Cb 0.43 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 1r17 n ALA 306 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1r17 s GLU 307 N -4.35 4.28 0.45 0.00 2.12 -0.92 -4.99 118.70 115.30 1r17 s GLU 307 Ca 0.00 1.97 0.05 0.00 0.36 0.00 0.00 54.97 57.36 1r17 s GLU 307 Cb 0.00 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1r17 s GLU 307 CO 0.00 -0.57 0.63 0.54 -0.54 0.00 0.00 175.26 175.32 1r17 s ASN 308 N 1.85 5.58 -0.20 -1.70 4.22 -1.26 -4.59 114.94 118.84 1r17 s ASN 308 Ca 0.64 -0.24 -0.02 0.00 -2.14 0.00 0.00 52.86 51.10 1r17 s ASN 308 Cb -0.32 -0.82 -0.00 0.00 1.28 0.00 0.00 41.25 41.40 1r17 s ASN 308 CO 0.27 -0.84 -0.10 -0.76 -2.04 0.00 0.00 177.10 173.62 1r17 s LEU 309 N -4.47 2.62 -0.26 3.54 1.43 -0.13 0.27 118.68 121.69 1r17 s LEU 309 Ca 0.54 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1r17 s LEU 309 Cb -0.10 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1r17 s LEU 309 CO 0.35 0.01 0.08 -0.63 0.23 0.00 0.00 176.35 176.39 1r17 s ILE 310 N 1.27 4.38 -0.32 -0.59 1.01 0.80 -1.60 121.20 126.15 1r17 s ILE 310 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1r17 s ILE 310 Cb -0.14 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1r17 s ILE 310 CO -0.05 0.31 0.22 -0.47 0.00 0.00 0.00 174.94 174.95 1r17 s TYR 311 N 1.62 3.22 -0.13 3.97 5.04 0.30 -0.57 117.35 130.81 1r17 s TYR 311 Ca 0.06 -0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.52 1r17 s TYR 311 Cb -0.15 -2.44 -0.02 0.00 0.35 0.00 0.00 41.96 39.70 1r17 s TYR 311 CO 0.04 -0.31 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.36 1r17 s ASP 312 N 1.72 4.53 -0.10 4.32 1.11 -0.31 -0.68 116.67 127.27 1r17 s ASP 312 Ca 0.06 -0.16 -0.09 0.00 0.18 0.00 0.00 52.55 52.54 1r17 s ASP 312 Cb -0.17 -1.57 0.03 0.00 1.07 0.00 0.00 42.92 42.28 1r17 s ASP 312 CO 0.10 0.22 0.27 0.54 1.18 0.00 0.00 175.17 177.48 1r17 s VAL 313 N 0.06 -0.00 -0.04 -1.27 0.11 -0.56 -0.79 120.40 117.91 1r17 s VAL 313 Ca -0.02 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1r17 s VAL 313 Cb -0.14 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1r17 s VAL 313 CO 0.03 0.00 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.71 1r17 s THR 314 N 0.16 1.69 0.10 5.04 2.01 0.03 -0.76 115.64 123.91 1r17 s THR 314 Ca -0.00 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 1r17 s THR 314 Cb -0.02 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.08 1r17 s THR 314 CO 0.00 0.48 0.33 0.72 -0.69 0.00 0.00 174.62 175.46 1r17 s PHE 315 N -0.19 -0.10 -0.01 4.92 -0.12 -0.42 -0.59 117.98 121.47 1r17 s PHE 315 Ca 0.00 -0.21 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1r17 s PHE 315 Cb -0.11 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1r17 s PHE 315 CO 0.02 -0.62 0.11 -1.21 -0.05 0.00 0.00 175.22 173.46 1r17 s GLU 316 N -3.56 3.17 -0.24 1.99 2.02 -0.04 -1.16 118.70 120.88 1r17 s GLU 316 Ca 0.02 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1r17 s GLU 316 Cb 0.02 -2.93 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 1r17 s GLU 316 CO -0.10 0.66 0.00 0.08 0.02 0.00 0.00 175.26 175.92 1r17 s VAL 317 N -1.22 3.61 0.50 2.63 1.01 0.22 -1.94 120.40 125.21 1r17 s VAL 317 Ca 0.24 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1r17 s VAL 317 Cb -0.12 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 1r17 s VAL 317 CO 0.15 0.31 1.41 -0.62 0.00 0.00 0.00 175.10 176.35 1r17 s ASP 318 N 1.49 5.56 0.47 3.32 2.15 -0.79 -3.94 116.67 124.94 1r17 s ASP 318 Ca 0.05 2.89 0.32 0.00 0.43 0.00 0.00 52.55 56.23 1r17 s ASP 318 Cb -0.15 -2.65 1.73 0.00 -0.30 0.00 0.00 42.92 41.55 1r17 s ASP 318 CO -0.01 -1.39 1.98 0.44 -0.17 0.00 0.00 175.17 176.02 1r17 h ASP 319 N 1.92 0.00 1.07 -0.34 3.32 -1.95 -1.44 116.42 119.00 1r17 h ASP 319 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1r17 h ASP 319 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1r17 h ASP 319 CO 0.59 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 178.22 1r17 h LYS 320 N 0.00 0.00 -6.73 3.56 1.57 -1.95 -3.44 116.57 109.59 1r17 h LYS 320 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1r17 h LYS 320 Cb 0.00 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.37 1r17 h LYS 320 CO 0.00 0.00 0.75 0.08 -0.57 0.00 0.00 179.45 179.71 1r17 s VAL 321 N -3.35 2.75 0.28 0.50 1.01 -0.55 -5.01 120.40 116.03 1r17 s VAL 321 Ca 0.05 0.62 0.12 0.00 0.00 0.00 0.00 61.98 62.77 1r17 s VAL 321 Cb 0.09 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1r17 s VAL 321 CO 0.50 0.10 -0.17 -0.54 0.00 0.00 0.00 175.10 174.98 1r17 s LYS 322 N -0.24 1.75 0.17 2.72 -0.14 -1.26 -4.66 119.74 118.08 1r17 s LYS 322 Ca 0.59 -1.74 -0.33 0.00 -1.36 0.00 0.00 55.97 53.13 1r17 s LYS 322 Cb -0.41 -1.81 -0.15 0.00 -1.68 0.00 0.00 37.83 33.78 1r17 s LYS 322 CO 0.42 0.32 1.36 0.45 -0.76 0.00 0.00 175.35 177.14 1r17 n SER 323 N -0.66 2.18 0.00 2.83 2.88 -1.26 -1.58 113.62 118.02 1r17 n SER 323 Ca -0.05 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1r17 n SER 323 Cb 0.60 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1r17 n SER 323 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r17 n GLY 324 N 2.47 3.40 3.73 0.46 0.00 0.69 -4.82 105.19 111.13 1r17 n GLY 324 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1r17 n GLY 324 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r17 s ASP 325 N -1.03 3.99 0.15 1.61 -0.00 -0.61 -4.31 116.67 116.48 1r17 s ASP 325 Ca 0.00 2.03 0.06 0.00 -0.00 0.00 0.00 52.55 54.64 1r17 s ASP 325 Cb 0.00 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.33 1r17 s ASP 325 CO 0.00 -2.38 -0.13 0.42 -0.00 0.00 0.00 175.17 173.07 1r17 s THR 326 N -2.66 1.40 0.04 -1.27 -4.23 -0.23 -1.16 115.64 107.53 1r17 s THR 326 Ca 0.65 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1r17 s THR 326 Cb -0.21 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1r17 s THR 326 CO 0.54 -0.53 -0.01 0.00 -0.54 0.00 0.00 174.62 174.08 1r17 s MET 327 N -3.13 0.50 0.21 3.99 0.23 -0.51 -0.23 119.30 120.35 1r17 s MET 327 Ca 0.14 -0.93 0.11 0.00 -1.03 0.00 0.00 55.69 53.98 1r17 s MET 327 Cb -0.02 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1r17 s MET 327 CO 0.03 -0.09 -0.20 0.95 -2.03 0.00 0.00 175.02 173.68 1r17 s THR 328 N -2.82 2.56 -0.03 3.16 -4.23 -1.26 -0.66 115.64 112.36 1r17 s THR 328 Ca -0.03 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1r17 s THR 328 Cb -0.00 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.60 1r17 s THR 328 CO -0.06 -0.17 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.15 1r17 s VAL 329 N -1.84 0.23 -0.05 2.29 1.01 -0.17 -1.15 120.40 120.73 1r17 s VAL 329 Ca 0.23 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1r17 s VAL 329 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1r17 s VAL 329 CO 0.12 0.14 -0.25 0.20 0.00 0.00 0.00 175.10 175.31 1r17 s ASN 330 N 0.86 3.08 0.36 3.32 -0.87 0.80 0.55 114.94 123.05 1r17 s ASN 330 Ca -0.09 -0.50 0.06 0.00 -1.57 0.00 0.00 52.86 50.76 1r17 s ASN 330 Cb -0.12 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.25 40.36 1r17 s ASN 330 CO -0.01 0.26 0.51 0.27 -2.57 0.00 0.00 177.10 175.56 1r17 s ILE 331 N -0.26 3.97 0.44 0.60 -4.36 -0.81 -0.89 121.20 119.88 1r17 s ILE 331 Ca -0.01 -0.92 -0.26 0.00 -0.26 0.00 0.00 60.65 59.21 1r17 s ILE 331 Cb -0.13 -3.39 -0.09 0.00 1.25 0.00 0.00 42.46 40.11 1r17 s ILE 331 CO 0.03 -0.17 1.44 -0.62 0.24 0.00 0.00 174.94 175.86 1r17 s ASP 332 N -4.20 5.97 0.44 4.36 2.15 -1.05 -4.86 116.67 119.48 1r17 s ASP 332 Ca 0.46 2.95 0.28 0.00 0.43 0.00 0.00 52.55 56.67 1r17 s ASP 332 Cb -0.10 -2.66 1.50 0.00 -0.30 0.00 0.00 42.92 41.37 1r17 s ASP 332 CO 0.32 -1.12 1.84 0.07 -0.17 0.00 0.00 175.17 176.11 1r17 h LYS 333 N 2.46 0.00 -0.67 4.34 2.10 -1.93 0.01 116.57 122.89 1r17 h LYS 333 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1r17 h LYS 333 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1r17 h LYS 333 CO 0.62 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.16 1r17 n ASN 334 N -2.50 3.88 -4.35 7.07 4.13 -1.26 -4.95 115.26 117.27 1r17 n ASN 334 Ca -0.02 -2.13 -0.18 0.00 1.68 0.00 0.00 54.58 53.93 1r17 n ASN 334 Cb 0.09 -0.49 -0.10 0.00 -1.54 0.00 0.00 39.78 37.74 1r17 n ASN 334 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1r17 s THR 335 N -1.33 1.26 0.04 3.41 -4.23 -0.01 -0.52 115.64 114.27 1r17 s THR 335 Ca 0.46 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1r17 s THR 335 Cb 0.26 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 1r17 s THR 335 CO 0.28 -0.36 -0.05 0.68 -0.54 0.00 0.00 174.62 174.63 1r17 s VAL 336 N -3.27 0.36 0.19 2.29 -7.23 0.12 -4.71 120.40 108.17 1r17 s VAL 336 Ca 0.27 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 1r17 s VAL 336 Cb 0.05 -0.78 0.12 0.00 0.56 0.00 0.00 36.38 36.33 1r17 s VAL 336 CO 0.09 -0.59 1.81 -0.65 -0.31 0.00 0.00 175.10 175.45 1r17 h PRO 337 N 4.12 0.97 -4.67 4.82 0.11 -1.86 0.12 132.00 135.61 1r17 h PRO 337 Ca -0.34 -0.12 -0.50 0.00 0.11 0.00 0.00 66.00 65.15 1r17 h PRO 337 Cb 1.19 -0.19 -0.33 0.00 0.11 0.00 0.00 31.00 31.78 1r17 h PRO 337 CO 0.48 0.73 -0.81 0.45 -0.21 0.00 0.00 178.00 178.64 1r17 s SER 338 N -6.02 1.72 -0.08 -2.05 0.15 -1.26 -4.25 113.70 101.91 1r17 s SER 338 Ca -0.13 -0.28 -0.22 0.00 0.70 0.00 0.00 55.95 56.02 1r17 s SER 338 Cb 0.14 -0.69 -0.18 0.00 -1.71 0.00 0.00 66.02 63.59 1r17 s SER 338 CO 0.79 0.06 0.79 -0.78 1.20 0.00 0.00 173.24 175.29 1r17 h ASP 339 N 6.75 -0.08 0.85 5.45 3.58 -1.90 -3.37 116.42 127.70 1r17 h ASP 339 Ca -0.32 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.61 1r17 h ASP 339 Cb 1.18 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1r17 h ASP 339 CO 0.48 0.59 -0.17 0.18 -2.88 0.00 0.00 179.24 177.44 1r17 n LEU 340 N -4.80 0.20 -4.15 2.28 4.77 -1.26 -4.90 117.00 109.14 1r17 n LEU 340 Ca -0.08 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1r17 n LEU 340 Cb 0.30 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1r17 n LEU 340 CO 0.26 0.03 -0.40 0.42 -1.33 0.00 0.00 177.39 176.37 1r17 s THR 341 N -3.01 0.77 -0.71 -5.08 -4.23 -1.26 -2.98 115.64 99.14 1r17 s THR 341 Ca 0.13 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1r17 s THR 341 Cb 0.18 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.73 1r17 s THR 341 CO 0.59 -0.60 0.53 0.47 -0.54 0.00 0.00 174.62 175.07 1r17 n ASP 342 N 0.62 0.94 -4.30 3.99 8.00 -1.26 -4.47 116.55 120.07 1r17 n ASP 342 Ca -0.17 -0.97 -0.34 0.00 0.71 0.00 0.00 54.79 54.03 1r17 n ASP 342 Cb 0.58 0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 42.14 1r17 n ASP 342 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1r17 s SER 343 N -1.40 3.91 0.02 -2.24 0.15 -1.26 -5.09 113.70 107.78 1r17 s SER 343 Ca 0.06 -0.41 -0.28 0.00 0.70 0.00 0.00 55.95 56.02 1r17 s SER 343 Cb 0.07 -1.62 0.10 0.00 -1.71 0.00 0.00 66.02 62.86 1r17 s SER 343 CO 0.26 0.08 0.87 0.72 1.20 0.00 0.00 173.24 176.37 1r17 s PHE 344 N 0.85 -0.34 -0.20 3.44 -0.12 -1.26 -5.10 117.98 115.24 1r17 s PHE 344 Ca -0.04 0.19 -0.11 0.00 -0.05 0.00 0.00 56.93 56.92 1r17 s PHE 344 Cb -0.15 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1r17 s PHE 344 CO 0.00 -0.58 0.19 0.00 -0.05 0.00 0.00 175.22 174.77 1r17 s ALA 345 N -3.17 3.64 0.09 1.99 0.00 -1.26 -4.97 121.76 118.07 1r17 s ALA 345 Ca 0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1r17 s ALA 345 Cb -0.01 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1r17 s ALA 345 CO -0.09 0.01 0.99 0.42 0.00 0.00 0.00 175.76 177.10 1r17 s ILE 346 N 0.65 4.51 0.39 0.00 -1.09 -1.26 -4.99 121.20 119.41 1r17 s ILE 346 Ca 0.10 2.00 -0.27 0.00 -2.23 0.00 0.00 60.65 60.24 1r17 s ILE 346 Cb -0.12 -4.28 -0.11 0.00 -1.58 0.00 0.00 42.46 36.37 1r17 s ILE 346 CO 0.02 0.27 1.47 -0.81 -1.23 0.00 0.00 174.94 174.65 1r17 n PRO 347 N 3.08 2.58 -2.80 2.79 -0.04 -1.26 -4.57 135.00 134.77 1r17 n PRO 347 Ca 0.04 0.91 -0.34 0.00 -0.04 0.00 0.00 63.50 64.07 1r17 n PRO 347 Cb 0.49 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 1r17 n PRO 347 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1r17 s LYS 348 N -2.16 4.26 -0.33 0.54 1.02 -1.26 -4.50 119.74 117.30 1r17 s LYS 348 Ca 0.55 1.16 -0.19 0.00 0.02 0.00 0.00 55.97 57.51 1r17 s LYS 348 Cb -0.47 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1r17 s LYS 348 CO 0.63 -0.01 0.56 0.42 -0.92 0.00 0.00 175.35 176.02 1r17 s ILE 349 N -2.10 4.99 0.06 2.17 1.01 -0.29 -3.90 121.20 123.14 1r17 s ILE 349 Ca 0.61 0.58 0.08 0.00 0.00 0.00 0.00 60.65 61.92 1r17 s ILE 349 Cb -0.11 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1r17 s ILE 349 CO 0.15 -0.16 -0.22 -0.54 0.00 0.00 0.00 174.94 174.16 1r17 s LYS 350 N 2.47 1.42 0.87 2.79 1.02 -0.65 0.18 119.74 127.84 1r17 s LYS 350 Ca 0.21 -1.05 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 1r17 s LYS 350 Cb -0.15 -1.61 0.18 0.00 -0.52 0.00 0.00 37.83 35.73 1r17 s LYS 350 CO 0.13 0.40 1.19 0.16 -0.92 0.00 0.00 175.35 176.31 1r17 s ASP 351 N -1.41 3.52 0.00 2.83 -4.77 -0.31 -1.29 116.67 115.24 1r17 s ASP 351 Ca 0.09 -0.13 0.17 0.00 -3.30 0.00 0.00 52.55 49.38 1r17 s ASP 351 Cb -0.09 0.01 1.00 0.00 -1.09 0.00 0.00 42.92 42.75 1r17 s ASP 351 CO 0.03 -2.44 1.42 0.59 0.70 0.00 0.00 175.17 175.47 1r17 n ASN 352 N -3.38 0.00 -0.58 2.11 3.02 -1.25 -1.04 115.26 114.14 1r17 n ASN 352 Ca 0.16 -0.50 0.08 0.00 -0.03 0.00 0.00 54.58 54.29 1r17 n ASN 352 Cb 0.60 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1r17 n ASN 352 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r17 n SER 353 N -1.01 2.17 0.00 6.41 3.41 -1.26 -4.97 113.62 118.37 1r17 n SER 353 Ca 0.13 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1r17 n SER 353 Cb 0.06 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1r17 n SER 353 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r17 n GLY 354 N 0.98 0.83 3.76 5.00 0.00 -0.20 -5.05 105.19 110.51 1r17 n GLY 354 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1r17 n GLY 354 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r17 s GLU 355 N -0.71 4.22 -0.21 1.61 2.02 -1.26 -4.66 118.70 119.71 1r17 s GLU 355 Ca 0.00 2.40 -0.26 0.00 0.02 0.00 0.00 54.97 57.13 1r17 s GLU 355 Cb 0.00 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.18 1r17 s GLU 355 CO 0.00 -0.41 0.89 0.42 0.02 0.00 0.00 175.26 176.17 1r17 s ILE 356 N -0.70 4.81 -0.09 -1.63 1.01 -1.26 -1.16 121.20 122.17 1r17 s ILE 356 Ca 0.55 1.72 -0.03 0.00 0.00 0.00 0.00 60.65 62.89 1r17 s ILE 356 Cb -0.43 -4.18 -0.26 0.00 0.01 0.00 0.00 42.46 37.60 1r17 s ILE 356 CO 0.53 -0.07 0.49 0.40 0.00 0.00 0.00 174.94 176.30 1r17 h ILE 357 N 5.35 0.73 -1.92 2.92 2.04 -0.63 -3.42 117.51 122.58 1r17 h ILE 357 Ca -0.24 -2.47 -0.03 0.00 1.00 0.00 0.00 64.86 63.12 1r17 h ILE 357 Cb 1.10 2.53 -0.20 0.00 -0.74 0.00 0.00 36.82 39.51 1r17 h ILE 357 CO 0.89 0.80 0.26 0.00 0.00 0.00 0.00 178.15 180.10 1r17 s ALA 358 N -2.57 -1.80 0.10 1.87 0.00 -1.14 -1.54 121.76 116.67 1r17 s ALA 358 Ca -0.17 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.24 1r17 s ALA 358 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1r17 s ALA 358 CO 0.79 -0.36 -0.20 0.95 0.00 0.00 0.00 175.76 176.95 1r17 s THR 359 N -1.19 2.73 0.17 0.00 -4.23 -0.90 -1.14 115.64 111.08 1r17 s THR 359 Ca -0.09 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1r17 s THR 359 Cb -0.00 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1r17 s THR 359 CO 0.08 0.16 -0.15 -0.83 -0.54 0.00 0.00 174.62 173.34 1r17 s GLY 360 N -1.95 1.29 0.16 3.99 0.00 -1.26 -0.63 107.32 108.91 1r17 s GLY 360 Ca 0.16 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.43 1r17 s GLY 360 CO 0.08 -1.59 -0.11 -0.51 0.00 0.00 0.00 173.10 170.97 1r17 s THR 361 N -2.60 1.30 -0.01 0.90 -4.23 -0.79 -4.49 115.64 105.70 1r17 s THR 361 Ca 0.17 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1r17 s THR 361 Cb -0.02 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 1r17 s THR 361 CO 0.05 -0.71 -0.17 -0.47 -0.54 0.00 0.00 174.62 172.78 1r17 s TYR 362 N -3.23 1.52 -0.24 3.99 6.14 -1.26 -1.34 117.35 122.91 1r17 s TYR 362 Ca 0.18 -0.29 0.02 0.00 0.64 0.00 0.00 57.07 57.62 1r17 s TYR 362 Cb 0.02 -0.98 0.05 0.00 0.42 0.00 0.00 41.96 41.47 1r17 s TYR 362 CO 0.02 -0.03 -0.12 0.34 0.64 0.00 0.00 175.55 176.40 1r17 s ASP 363 N -0.38 4.14 0.43 4.32 3.68 -0.52 -5.01 116.67 123.33 1r17 s ASP 363 Ca 0.06 -1.24 0.28 0.00 2.13 0.00 0.00 52.55 53.78 1r17 s ASP 363 Cb -0.07 -1.50 0.94 0.00 -1.45 0.00 0.00 42.92 40.84 1r17 s ASP 363 CO -0.01 -0.16 1.81 -1.13 0.13 0.00 0.00 175.17 175.81 1r17 h ASN 364 N 7.82 0.00 0.31 -0.34 -0.73 -1.96 0.65 115.58 121.33 1r17 h ASN 364 Ca -0.24 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.83 1r17 h ASN 364 Cb 1.06 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.64 1r17 h ASN 364 CO 0.49 0.00 -0.42 0.71 -0.37 0.00 0.00 177.43 177.84 1r17 h THR 365 N 0.00 1.31 -0.04 -3.57 1.35 -1.97 -3.20 112.91 106.80 1r17 h THR 365 Ca 0.00 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1r17 h THR 365 Cb 0.66 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1r17 h THR 365 CO 0.00 0.45 0.00 -0.46 -0.25 0.00 0.00 175.52 175.26 1r17 n ASN 366 N -4.02 1.63 -3.82 5.36 0.23 -1.17 -5.00 115.26 108.47 1r17 n ASN 366 Ca -0.02 -1.37 -0.25 0.00 -0.53 0.00 0.00 54.58 52.41 1r17 n ASN 366 Cb 0.47 -0.02 0.02 0.00 -2.08 0.00 0.00 39.78 38.17 1r17 n ASN 366 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1r17 n LYS 367 N 0.21 -4.67 -4.64 -3.83 4.01 0.16 -4.87 118.16 104.54 1r17 n LYS 367 Ca 0.03 0.56 -0.24 0.00 -0.51 0.00 0.00 58.31 58.16 1r17 n LYS 367 Cb 0.17 -5.12 -0.16 0.00 -0.51 0.00 0.00 35.03 29.41 1r17 n LYS 367 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1r17 s GLN 368 N -6.27 1.45 -0.12 1.97 0.74 -0.81 -1.92 119.66 114.69 1r17 s GLN 368 Ca 0.18 -0.47 -0.08 0.00 0.05 0.00 0.00 55.36 55.04 1r17 s GLN 368 Cb -0.09 -1.28 -0.04 0.00 1.10 0.00 0.00 33.01 32.70 1r17 s GLN 368 CO 0.84 0.17 0.15 0.42 -0.55 0.00 0.00 175.29 176.32 1r17 s ILE 369 N 0.15 5.48 -0.17 -2.34 1.01 0.19 -1.44 121.20 124.08 1r17 s ILE 369 Ca -0.04 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1r17 s ILE 369 Cb -0.11 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1r17 s ILE 369 CO 0.02 0.61 -0.19 -0.89 0.00 0.00 0.00 174.94 174.48 1r17 s THR 370 N -0.95 1.97 -0.17 2.92 2.01 -0.45 -1.00 115.64 119.97 1r17 s THR 370 Ca 0.15 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1r17 s THR 370 Cb -0.12 -1.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 1r17 s THR 370 CO 0.04 0.53 0.11 -0.31 -0.69 0.00 0.00 174.62 174.30 1r17 s TYR 371 N 1.32 3.42 -0.23 4.92 1.51 0.17 -1.89 117.35 126.56 1r17 s TYR 371 Ca 0.05 0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1r17 s TYR 371 Cb -0.13 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1r17 s TYR 371 CO -0.13 0.38 -0.02 0.99 -1.11 0.00 0.00 175.55 175.67 1r17 s THR 372 N -0.02 3.58 0.39 -0.71 2.01 0.19 -1.42 115.64 119.67 1r17 s THR 372 Ca 0.09 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 1r17 s THR 372 Cb -0.11 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.67 1r17 s THR 372 CO -0.00 0.40 1.11 -0.36 -0.69 0.00 0.00 174.62 175.09 1r17 s PHE 373 N 1.51 3.19 0.31 4.92 0.40 -0.31 -2.12 117.98 125.88 1r17 s PHE 373 Ca 0.06 1.60 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 1r17 s PHE 373 Cb -0.14 -3.28 0.06 0.00 0.51 0.00 0.00 43.02 40.17 1r17 s PHE 373 CO -0.02 -0.98 0.42 0.25 0.70 0.00 0.00 175.22 175.60 1r17 n THR 374 N 0.10 0.00 0.09 0.64 -2.24 -0.59 -0.22 114.28 112.06 1r17 n THR 374 Ca 0.04 -0.80 0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1r17 n THR 374 Cb 0.48 -0.99 0.33 0.00 -2.10 0.00 0.00 70.33 68.05 1r17 n THR 374 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r17 n ASP 375 N -2.84 0.32 -0.24 3.42 10.43 -1.26 -2.37 116.55 124.00 1r17 n ASP 375 Ca 0.08 0.65 0.02 0.00 2.57 0.00 0.00 54.79 58.11 1r17 n ASP 375 Cb 0.28 -0.69 0.15 0.00 1.84 0.00 0.00 41.12 42.69 1r17 n ASP 375 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1r17 h TYR 376 N 0.00 0.52 0.00 1.24 5.03 -1.86 -0.40 116.97 121.50 1r17 h TYR 376 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1r17 h TYR 376 Cb 0.00 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1r17 h TYR 376 CO 0.00 0.13 0.00 1.33 -1.32 0.00 0.00 178.16 178.30 1r17 n VAL 377 N -4.95 1.26 0.80 1.81 0.24 -1.00 -1.28 118.33 115.20 1r17 n VAL 377 Ca 0.11 0.37 0.12 0.00 -2.04 0.00 0.00 64.34 62.90 1r17 n VAL 377 Cb 0.32 -1.26 0.12 0.00 -1.47 0.00 0.00 33.84 31.56 1r17 n VAL 377 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1r17 n ASP 378 N -1.72 3.04 -0.02 -1.34 8.00 -0.17 -4.40 116.55 119.94 1r17 n ASP 378 Ca 0.02 -1.97 -0.02 0.00 0.71 0.00 0.00 54.79 53.53 1r17 n ASP 378 Cb 0.12 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1r17 n ASP 378 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r17 n LYS 379 N 1.33 2.49 -4.20 -1.24 4.01 -0.41 -5.06 118.16 115.08 1r17 n LYS 379 Ca 0.15 0.01 -0.23 0.00 -0.51 0.00 0.00 58.31 57.72 1r17 n LYS 379 Cb 0.58 -1.10 -0.07 0.00 -0.51 0.00 0.00 35.03 33.93 1r17 n LYS 379 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1r17 s TYR 380 N -2.10 2.70 0.29 2.13 2.02 -0.63 -4.29 117.35 117.47 1r17 s TYR 380 Ca -0.03 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1r17 s TYR 380 Cb 0.01 -1.43 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 1r17 s TYR 380 CO 0.16 0.47 0.07 -1.83 -1.57 0.00 0.00 175.55 172.85 1r17 s GLU 381 N -3.76 1.53 -1.48 -0.62 -1.05 -0.09 -4.76 118.70 108.47 1r17 s GLU 381 Ca 0.35 -1.83 -0.09 0.00 -0.15 0.00 0.00 54.97 53.24 1r17 s GLU 381 Cb -0.04 -0.60 0.06 0.00 -0.44 0.00 0.00 34.13 33.11 1r17 s GLU 381 CO 0.21 -0.22 0.82 -1.71 0.95 0.00 0.00 175.26 175.31 1r17 n ASN 382 N -0.57 -3.13 -4.77 0.83 5.15 -1.26 -1.14 115.26 110.37 1r17 n ASN 382 Ca -0.01 -0.84 -0.38 0.00 -0.60 0.00 0.00 54.58 52.74 1r17 n ASN 382 Cb 0.66 -3.71 -0.03 0.00 -0.53 0.00 0.00 39.78 36.17 1r17 n ASN 382 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1r17 s ILE 383 N -3.48 3.41 0.05 -1.44 1.01 -1.25 -4.53 121.20 114.97 1r17 s ILE 383 Ca 0.42 1.21 -0.07 0.00 0.00 0.00 0.00 60.65 62.21 1r17 s ILE 383 Cb -0.21 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1r17 s ILE 383 CO 0.84 0.13 0.14 -0.54 0.00 0.00 0.00 174.94 175.51 1r17 s LYS 384 N -2.14 0.67 0.05 2.79 1.02 -0.30 -0.61 119.74 121.23 1r17 s LYS 384 Ca 0.54 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 1r17 s LYS 384 Cb -0.28 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1r17 s LYS 384 CO 0.36 -0.18 0.23 0.00 -0.92 0.00 0.00 175.35 174.84 1r17 s ALA 385 N -2.95 -0.45 -0.08 5.17 0.00 -0.31 -0.32 121.76 122.83 1r17 s ALA 385 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1r17 s ALA 385 Cb 0.01 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1r17 s ALA 385 CO -0.06 -0.42 -0.05 -1.58 0.00 0.00 0.00 175.76 173.65 1r17 s HIS 386 N -2.89 1.05 -0.07 0.00 2.46 0.21 -1.30 115.29 114.75 1r17 s HIS 386 Ca -0.03 -0.41 0.02 0.00 0.47 0.00 0.00 55.06 55.11 1r17 s HIS 386 Cb 0.00 -0.95 -0.03 0.00 -0.13 0.00 0.00 32.58 31.48 1r17 s HIS 386 CO -0.06 -0.35 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.25 1r17 s LEU 387 N 1.49 2.96 -0.32 8.88 1.43 0.06 -1.22 118.68 131.96 1r17 s LEU 387 Ca -0.01 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1r17 s LEU 387 Cb -0.13 -1.63 0.10 0.00 0.03 0.00 0.00 46.19 44.56 1r17 s LEU 387 CO -0.04 0.33 0.09 -0.75 0.23 0.00 0.00 176.35 176.21 1r17 s LYS 388 N -0.63 0.87 -0.17 1.70 2.20 -0.66 -1.50 119.74 121.55 1r17 s LYS 388 Ca 0.09 -1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 54.43 1r17 s LYS 388 Cb -0.11 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 1r17 s LYS 388 CO 0.01 -0.98 -0.05 -0.51 -0.36 0.00 0.00 175.35 173.46 1r17 s LEU 389 N 1.47 3.04 0.46 5.43 1.43 0.14 -1.10 118.68 129.55 1r17 s LEU 389 Ca 0.10 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1r17 s LEU 389 Cb -0.18 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1r17 s LEU 389 CO -0.22 0.10 0.80 0.28 0.23 0.00 0.00 176.35 177.54 1r17 s THR 390 N 0.75 4.84 0.14 5.49 -1.32 -1.26 -0.54 115.64 123.75 1r17 s THR 390 Ca -0.02 0.43 -0.24 0.00 -1.21 0.00 0.00 61.69 60.65 1r17 s THR 390 Cb -0.15 -3.81 0.07 0.00 -1.51 0.00 0.00 72.50 67.11 1r17 s THR 390 CO 0.02 -0.73 0.69 -0.94 -2.21 0.00 0.00 174.62 171.45 1r17 s SER 391 N -3.70 -0.47 0.15 8.08 1.04 -0.63 -4.69 113.70 113.48 1r17 s SER 391 Ca 0.50 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.87 1r17 s SER 391 Cb -0.10 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1r17 s SER 391 CO 0.40 -0.93 -0.05 -0.31 0.98 0.00 0.00 173.24 173.32 1r17 s TYR 392 N -3.61 1.16 0.29 5.02 1.51 0.40 -0.95 117.35 121.17 1r17 s TYR 392 Ca 0.03 -0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 54.91 1r17 s TYR 392 Cb -0.02 -0.64 -0.11 0.00 -0.11 0.00 0.00 41.96 41.09 1r17 s TYR 392 CO -0.09 -0.08 1.50 0.42 -1.11 0.00 0.00 175.55 176.19 1r17 s ILE 393 N -3.51 2.36 -0.63 2.71 -1.09 -1.26 -0.70 121.20 119.08 1r17 s ILE 393 Ca 0.18 0.31 -0.22 0.00 -2.23 0.00 0.00 60.65 58.69 1r17 s ILE 393 Cb 0.05 -3.20 0.07 0.00 -1.58 0.00 0.00 42.46 37.79 1r17 s ILE 393 CO 0.01 0.05 0.92 -0.62 -1.23 0.00 0.00 174.94 174.07 1r17 s ASP 394 N 0.30 6.20 0.56 3.58 3.68 0.32 -4.70 116.67 126.62 1r17 s ASP 394 Ca 0.59 -0.91 0.27 0.00 2.13 0.00 0.00 52.55 54.64 1r17 s ASP 394 Cb -0.45 -2.40 1.48 0.00 -1.45 0.00 0.00 42.92 40.10 1r17 s ASP 394 CO 0.48 -1.35 2.00 0.11 0.13 0.00 0.00 175.17 176.54 1r17 h LYS 395 N 9.46 0.00 0.00 4.34 1.57 -1.86 0.26 116.57 130.34 1r17 h LYS 395 Ca -0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1r17 h LYS 395 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1r17 h LYS 395 CO 1.15 0.00 -0.23 0.66 -0.57 0.00 0.00 179.45 180.45 1r17 h SER 396 N 0.00 0.00 0.46 0.86 4.64 -1.95 -2.57 113.55 114.99 1r17 h SER 396 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1r17 h SER 396 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1r17 h SER 396 CO -0.00 0.23 -1.18 0.29 -0.87 0.00 0.00 176.83 175.30 1r17 n LYS 397 N -3.95 0.40 -3.39 4.77 4.01 0.03 -4.63 118.16 115.41 1r17 n LYS 397 Ca -0.02 -0.01 -0.26 0.00 -0.51 0.00 0.00 58.31 57.51 1r17 n LYS 397 Cb 0.31 -1.63 -0.09 0.00 -0.51 0.00 0.00 35.03 33.12 1r17 n LYS 397 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1r17 n VAL 398 N -2.14 0.23 0.20 -0.18 0.31 -0.89 -4.95 118.33 110.92 1r17 n VAL 398 Ca 0.01 -4.28 0.07 0.00 -0.01 0.00 0.00 64.34 60.12 1r17 n VAL 398 Cb 0.48 -1.95 0.41 0.00 -0.91 0.00 0.00 33.84 31.86 1r17 n VAL 398 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1r17 h PRO 399 N 4.60 0.00 -5.87 5.55 0.13 -1.81 -3.43 132.00 131.18 1r17 h PRO 399 Ca 0.16 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.66 1r17 h PRO 399 Cb 0.82 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.90 1r17 h PRO 399 CO 0.57 0.32 -0.49 -0.80 -0.23 0.00 0.00 178.00 177.36 1r17 s ASN 400 N -6.41 6.37 0.70 1.44 0.02 -1.26 -1.31 114.94 114.49 1r17 s ASN 400 Ca -0.00 0.31 -0.13 0.00 -1.02 0.00 0.00 52.86 52.01 1r17 s ASN 400 Cb 0.11 -1.98 0.02 0.00 0.02 0.00 0.00 41.25 39.42 1r17 s ASN 400 CO 0.67 0.21 1.09 0.21 0.02 0.00 0.00 177.10 179.30 1r17 s ASN 401 N -2.28 4.95 -1.38 -1.22 2.47 -1.26 -3.78 114.94 112.45 1r17 s ASN 401 Ca 0.32 1.88 -0.01 0.00 0.42 0.00 0.00 52.86 55.47 1r17 s ASN 401 Cb -0.13 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 1r17 s ASN 401 CO 0.24 -1.73 0.55 0.59 -3.72 0.00 0.00 177.10 173.03 1r17 n ASN 402 N -2.88 -0.85 -4.56 -4.21 3.02 0.60 -4.94 115.26 101.44 1r17 n ASN 402 Ca 0.09 -0.93 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 1r17 n ASN 402 Cb 0.53 -3.47 -0.09 0.00 -0.61 0.00 0.00 39.78 36.13 1r17 n ASN 402 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1r17 s THR 403 N -3.81 5.19 -0.09 3.41 2.01 -1.05 -4.86 115.64 116.44 1r17 s THR 403 Ca 0.04 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 1r17 s THR 403 Cb -0.02 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1r17 s THR 403 CO 0.86 -0.00 1.08 -0.75 -0.69 0.00 0.00 174.62 175.12 1r17 s LYS 404 N 1.99 4.39 -0.03 4.92 2.47 -1.26 -1.28 119.74 130.95 1r17 s LYS 404 Ca 0.12 1.50 0.04 0.00 -1.56 0.00 0.00 55.97 56.07 1r17 s LYS 404 Cb -0.16 -3.55 -0.01 0.00 -1.46 0.00 0.00 37.83 32.65 1r17 s LYS 404 CO 0.11 -0.37 -0.16 -0.51 0.16 0.00 0.00 175.35 174.58 1r17 s LEU 405 N 2.11 1.96 -0.82 5.43 1.43 0.93 -5.00 118.68 124.71 1r17 s LEU 405 Ca 0.51 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1r17 s LEU 405 Cb -0.21 -0.85 0.21 0.00 0.03 0.00 0.00 46.19 45.38 1r17 s LEU 405 CO 0.19 0.17 0.73 -0.62 0.23 0.00 0.00 176.35 177.05 1r17 s ASP 406 N -0.16 6.29 0.23 2.29 3.68 -1.26 -0.56 116.67 127.18 1r17 s ASP 406 Ca 0.02 -3.04 -0.30 0.00 2.13 0.00 0.00 52.55 51.36 1r17 s ASP 406 Cb -0.08 -2.06 -0.09 0.00 -1.45 0.00 0.00 42.92 39.24 1r17 s ASP 406 CO 0.00 -0.41 1.00 0.68 0.13 0.00 0.00 175.17 176.58 1r17 s VAL 407 N -0.36 3.95 -0.06 1.11 -7.23 -0.19 -4.85 120.40 112.78 1r17 s VAL 407 Ca 0.21 1.88 0.03 0.00 -1.81 0.00 0.00 61.98 62.29 1r17 s VAL 407 Cb -0.13 -4.20 0.01 0.00 0.56 0.00 0.00 36.38 32.63 1r17 s VAL 407 CO -0.08 0.41 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.29 1r17 s GLU 408 N -1.00 1.72 0.07 4.82 2.12 -1.26 -1.00 118.70 124.18 1r17 s GLU 408 Ca 0.44 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.41 1r17 s GLU 408 Cb -0.28 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 1r17 s GLU 408 CO 0.34 0.07 -0.25 0.71 -0.54 0.00 0.00 175.26 175.59 1r17 s TYR 409 N 0.53 2.36 0.03 5.30 1.51 -0.26 -2.52 117.35 124.29 1r17 s TYR 409 Ca -0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1r17 s TYR 409 Cb -0.15 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1r17 s TYR 409 CO 0.04 0.22 -0.04 0.15 -1.11 0.00 0.00 175.55 174.80 1r17 s LYS 410 N -1.56 0.41 -0.07 -0.62 1.02 -0.07 -1.10 119.74 117.76 1r17 s LYS 410 Ca 0.13 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1r17 s LYS 410 Cb -0.10 0.02 0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1r17 s LYS 410 CO 0.04 -0.03 0.05 0.99 -0.92 0.00 0.00 175.35 175.48 1r17 s THR 411 N -1.77 -0.00 0.00 2.17 2.01 -0.16 -0.14 115.64 117.74 1r17 s THR 411 Ca -0.11 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1r17 s THR 411 Cb -0.08 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1r17 s THR 411 CO -0.02 0.13 0.00 0.00 -0.69 0.00 0.00 174.62 174.04 1r17 n ALA 412 N 5.26 0.00 -0.19 7.40 0.00 -0.30 -1.35 120.51 131.33 1r17 n ALA 412 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1r17 n ALA 412 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.25 1r17 n ALA 412 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1r17 n LEU 413 N 0.00 3.70 -4.62 0.00 4.32 -1.26 -4.94 117.00 114.20 1r17 n LEU 413 Ca 0.00 -1.85 -0.30 0.00 -0.02 0.00 0.00 56.01 53.83 1r17 n LEU 413 Cb 0.00 -0.46 -0.09 0.00 -1.62 0.00 0.00 43.42 41.24 1r17 n LEU 413 CO 0.00 0.91 -0.38 -0.44 -1.22 0.00 0.00 177.39 176.26 1r17 s SER 414 N -0.99 4.68 0.05 -1.43 0.01 -0.46 -5.13 113.70 110.42 1r17 s SER 414 Ca 0.46 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.44 1r17 s SER 414 Cb 0.24 -1.02 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 1r17 s SER 414 CO 0.31 0.20 0.01 -0.94 0.41 0.00 0.00 173.24 173.23 1r17 s SER 415 N -2.07 0.35 -0.00 2.44 1.04 -1.26 -0.99 113.70 113.21 1r17 s SER 415 Ca 0.22 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1r17 s SER 415 Cb -0.11 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1r17 s SER 415 CO 0.14 -0.54 0.05 0.54 0.98 0.00 0.00 173.24 174.41 1r17 s VAL 416 N -3.23 0.06 0.10 5.02 0.11 -0.26 -5.00 120.40 117.20 1r17 s VAL 416 Ca 0.00 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1r17 s VAL 416 Cb 0.03 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1r17 s VAL 416 CO -0.07 -0.29 -0.07 0.54 -3.33 0.00 0.00 175.10 171.88 1r17 s ASN 417 N -0.90 1.16 -0.17 3.54 2.20 -1.26 -1.11 114.94 118.41 1r17 s ASN 417 Ca -0.10 -1.00 -0.13 0.00 -0.94 0.00 0.00 52.86 50.69 1r17 s ASN 417 Cb -0.06 0.09 0.05 0.00 -2.00 0.00 0.00 41.25 39.33 1r17 s ASN 417 CO 0.00 -0.46 0.43 -0.75 -2.94 0.00 0.00 177.10 173.39 1r17 s LYS 418 N -3.80 0.48 -0.20 3.55 2.20 -0.17 -4.97 119.74 116.83 1r17 s LYS 418 Ca 0.12 0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 56.28 1r17 s LYS 418 Cb 0.05 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1r17 s LYS 418 CO -0.04 -0.09 0.20 0.99 -0.36 0.00 0.00 175.35 176.05 1r17 s THR 419 N 0.58 5.35 0.12 3.43 2.01 -1.26 -1.02 115.64 124.86 1r17 s THR 419 Ca -0.03 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1r17 s THR 419 Cb -0.05 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1r17 s THR 419 CO -0.04 0.39 0.03 0.27 -0.69 0.00 0.00 174.62 174.59 1r17 s ILE 420 N 0.62 0.21 -0.11 1.82 -5.25 0.28 -4.85 121.20 113.92 1r17 s ILE 420 Ca 0.11 -1.90 0.03 0.00 -0.99 0.00 0.00 60.65 57.90 1r17 s ILE 420 Cb -0.12 -1.96 -0.00 0.00 2.95 0.00 0.00 42.46 43.33 1r17 s ILE 420 CO 0.02 -0.57 -0.21 -0.89 -1.79 0.00 0.00 174.94 171.50 1r17 s THR 421 N -3.97 2.32 -0.13 8.37 2.01 0.02 -0.05 115.64 124.21 1r17 s THR 421 Ca 0.21 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 61.04 1r17 s THR 421 Cb 0.07 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1r17 s THR 421 CO -0.00 0.55 0.73 -0.69 -0.69 0.00 0.00 174.62 174.52 1r17 s VAL 422 N 0.31 4.98 -0.12 3.82 1.01 -0.40 -0.48 120.40 129.52 1r17 s VAL 422 Ca -0.16 1.46 0.02 0.00 0.00 0.00 0.00 61.98 63.30 1r17 s VAL 422 Cb -0.17 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1r17 s VAL 422 CO 0.08 0.14 -0.19 -0.70 0.00 0.00 0.00 175.10 174.43 1r17 s GLU 423 N 1.49 3.19 0.33 2.72 2.12 -0.68 -0.29 118.70 127.57 1r17 s GLU 423 Ca 0.36 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.97 1r17 s GLU 423 Cb -0.17 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 1r17 s GLU 423 CO 0.15 0.16 0.25 0.71 -0.54 0.00 0.00 175.26 175.98 1r17 s TYR 424 N 0.43 2.88 1.04 5.30 4.12 -1.26 -3.12 117.35 126.73 1r17 s TYR 424 Ca -0.14 -0.30 -0.14 0.00 0.02 0.00 0.00 57.07 56.51 1r17 s TYR 424 Cb -0.17 -1.72 0.21 0.00 -1.52 0.00 0.00 41.96 38.76 1r17 s TYR 424 CO 0.06 0.26 1.12 1.14 0.02 0.00 0.00 175.55 178.15 1r17 s GLN 425 N -3.94 0.12 0.25 -0.62 -2.07 -1.26 -4.98 119.66 107.15 1r17 s GLN 425 Ca 0.39 0.24 0.08 0.00 -1.82 0.00 0.00 55.36 54.25 1r17 s GLN 425 Cb -0.05 -1.73 -0.05 0.00 -1.09 0.00 0.00 33.01 30.09 1r17 s GLN 425 CO 0.25 -2.87 -0.12 0.15 -1.32 0.00 0.00 175.29 171.38 1r17 s LYS 426 N -5.21 1.48 0.62 9.60 1.02 -1.26 -5.05 119.74 120.93 1r17 s LYS 426 Ca 0.67 -1.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.78 1r17 s LYS 426 Cb -0.14 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.90 1r17 s LYS 426 CO 0.56 0.15 1.18 -2.14 -0.92 0.00 0.00 175.35 174.18 1r17 s PRO 427 N -3.66 2.87 -0.09 -1.68 0.02 -1.26 -4.89 135.00 126.31 1r17 s PRO 427 Ca 0.26 1.73 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 1r17 s PRO 427 Cb 0.00 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1r17 s PRO 427 CO 0.10 -1.26 0.38 1.21 -0.33 0.00 0.00 177.00 177.10 1r17 s ASN 428 N -1.82 6.64 0.09 2.53 2.47 0.51 -4.90 114.94 120.46 1r17 s ASN 428 Ca 0.75 0.75 0.08 0.00 0.42 0.00 0.00 52.86 54.86 1r17 s ASN 428 Cb -0.28 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 1r17 s ASN 428 CO 0.35 0.17 -0.21 -0.70 -3.72 0.00 0.00 177.10 172.99 1r17 s GLU 429 N -0.10 1.20 -0.36 0.43 2.12 -1.26 -2.11 118.70 118.62 1r17 s GLU 429 Ca 0.22 -1.11 0.05 0.00 0.36 0.00 0.00 54.97 54.49 1r17 s GLU 429 Cb -0.15 -1.44 0.19 0.00 0.26 0.00 0.00 34.13 32.99 1r17 s GLU 429 CO 0.09 0.34 0.67 1.21 -0.54 0.00 0.00 175.26 177.04 1r17 s ASN 430 N -1.72 -1.42 1.83 -1.70 3.04 -0.11 -4.98 114.94 109.88 1r17 s ASN 430 Ca 0.07 -0.40 0.00 0.00 0.04 0.00 0.00 52.86 52.57 1r17 s ASN 430 Cb -0.10 1.83 0.00 0.00 -1.54 0.00 0.00 41.25 41.44 1r17 s ASN 430 CO 0.04 -0.19 0.00 0.54 -3.04 0.00 0.00 177.10 174.44 1r17 n ARG 431 N 4.69 0.00 0.13 0.43 5.12 -1.26 -1.62 116.66 124.15 1r17 n ARG 431 Ca 0.09 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.14 1r17 n ARG 431 Cb 0.57 0.00 0.41 0.00 -1.16 0.00 0.00 32.46 32.28 1r17 n ARG 431 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1r17 h THR 432 N 0.00 0.00 -3.04 0.55 1.35 -1.95 -3.44 112.91 106.38 1r17 h THR 432 Ca 0.00 -0.48 -0.54 0.00 -0.55 0.00 0.00 66.41 64.84 1r17 h THR 432 Cb 0.00 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1r17 h THR 432 CO 0.00 0.00 0.72 0.00 -0.25 0.00 0.00 175.52 175.99 1r17 s ALA 433 N -3.18 3.51 -0.28 6.62 0.00 -0.64 -4.65 121.76 123.14 1r17 s ALA 433 Ca 0.08 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1r17 s ALA 433 Cb 0.11 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.78 1r17 s ALA 433 CO 0.56 -0.74 0.74 0.54 0.00 0.00 0.00 175.76 176.85 1r17 s ASN 434 N 1.52 -0.83 0.24 0.00 2.20 -1.26 -0.94 114.94 115.88 1r17 s ASN 434 Ca 0.59 1.41 -0.21 0.00 -0.94 0.00 0.00 52.86 53.71 1r17 s ASN 434 Cb -0.28 1.37 0.06 0.00 -2.00 0.00 0.00 41.25 40.40 1r17 s ASN 434 CO 0.25 -0.23 0.90 -1.48 -2.94 0.00 0.00 177.10 173.60 1r17 s LEU 435 N 1.16 -0.09 0.15 3.54 2.34 -0.90 -1.04 118.68 123.83 1r17 s LEU 435 Ca -0.06 -0.71 -0.23 0.00 0.06 0.00 0.00 54.13 53.18 1r17 s LEU 435 Cb -0.05 2.42 0.07 0.00 -0.56 0.00 0.00 46.19 48.07 1r17 s LEU 435 CO -0.12 -1.21 0.63 0.00 -1.06 0.00 0.00 176.35 174.59 1r17 s GLN 436 N -2.83 1.26 0.13 1.48 -2.07 -0.91 -0.36 119.66 116.35 1r17 s GLN 436 Ca 0.16 -0.47 -0.18 0.00 -1.82 0.00 0.00 55.36 53.04 1r17 s GLN 436 Cb -0.03 0.57 0.05 0.00 -1.09 0.00 0.00 33.01 32.50 1r17 s GLN 436 CO 0.06 -0.55 0.46 -1.54 -1.32 0.00 0.00 175.29 172.40 1r17 s SER 437 N -2.73 -0.34 -0.15 12.60 1.04 -1.26 -0.40 113.70 122.45 1r17 s SER 437 Ca 0.02 -0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1r17 s SER 437 Cb -0.01 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1r17 s SER 437 CO -0.12 -0.88 0.52 -0.32 0.98 0.00 0.00 173.24 173.42 1r17 s MET 438 N -3.71 0.69 0.17 4.02 0.00 -0.65 -4.87 119.30 114.94 1r17 s MET 438 Ca 0.02 0.54 -0.30 0.00 0.00 0.00 0.00 55.69 55.95 1r17 s MET 438 Cb 0.01 0.33 -0.07 0.00 0.00 0.00 0.00 34.83 35.10 1r17 s MET 438 CO -0.12 -0.13 1.07 -0.06 0.00 0.00 0.00 175.02 175.79 1r17 s PHE 439 N -0.16 3.64 0.00 4.11 2.99 -1.26 -0.86 117.98 126.44 1r17 s PHE 439 Ca -0.04 1.64 0.00 0.00 0.00 0.00 0.00 56.93 58.54 1r17 s PHE 439 Cb -0.03 -3.23 0.00 0.00 0.00 0.00 0.00 43.02 39.76 1r17 s PHE 439 CO 0.03 -0.43 0.58 0.25 -0.00 0.00 0.00 175.22 175.64 1r17 n THR 440 N 2.44 0.19 -3.57 0.64 -2.24 0.97 -4.91 114.28 107.80 1r17 n THR 440 Ca 0.03 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1r17 n THR 440 Cb 0.47 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1r17 n THR 440 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r17 s ASN 441 N -0.19 -0.28 -0.06 3.42 2.47 -1.23 -4.78 114.94 114.30 1r17 s ASN 441 Ca 0.00 0.20 -0.03 0.00 0.42 0.00 0.00 52.86 53.45 1r17 s ASN 441 Cb 0.00 0.26 0.03 0.00 -1.45 0.00 0.00 41.25 40.09 1r17 s ASN 441 CO 0.00 -0.34 0.14 -0.51 -3.72 0.00 0.00 177.10 172.66 1r17 s ILE 442 N -1.76 -0.04 -0.37 -5.21 2.07 -1.16 -0.77 121.20 113.97 1r17 s ILE 442 Ca 0.03 0.13 -0.02 0.00 -1.41 0.00 0.00 60.65 59.38 1r17 s ILE 442 Cb -0.01 -0.22 0.09 0.00 0.13 0.00 0.00 42.46 42.45 1r17 s ILE 442 CO -0.03 0.05 0.13 -0.62 -1.91 0.00 0.00 174.94 172.56 1r17 s ASP 443 N 0.86 5.12 0.00 4.50 -1.08 0.05 -4.72 116.67 121.40 1r17 s ASP 443 Ca -0.07 -1.76 0.31 0.00 -0.52 0.00 0.00 52.55 50.52 1r17 s ASP 443 Cb -0.09 -1.78 1.79 0.00 -1.46 0.00 0.00 42.92 41.38 1r17 s ASP 443 CO -0.04 -0.43 2.16 0.35 0.52 0.00 0.00 175.17 177.73 1r17 n THR 444 N 4.59 0.00 -0.10 1.71 -2.24 -1.26 -0.33 114.28 116.64 1r17 n THR 444 Ca -0.06 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 1r17 n THR 444 Cb 0.42 -0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 1r17 n THR 444 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r17 n LYS 445 N -0.92 0.54 0.00 -0.78 4.81 -1.26 -4.33 118.16 116.23 1r17 n LYS 445 Ca 0.23 0.50 0.13 0.00 -0.87 0.00 0.00 58.31 58.29 1r17 n LYS 445 Cb 0.15 -1.68 0.39 0.00 0.02 0.00 0.00 35.03 33.91 1r17 n LYS 445 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1r17 n ASN 446 N -4.44 0.66 -3.11 3.14 5.15 -1.24 -4.99 115.26 110.43 1r17 n ASN 446 Ca -0.30 -0.49 -0.14 0.00 -0.60 0.00 0.00 54.58 53.05 1r17 n ASN 446 Cb 0.62 0.10 0.06 0.00 -0.53 0.00 0.00 39.78 40.03 1r17 n ASN 446 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1r17 n HIS 447 N -1.09 -2.27 -4.19 1.20 8.25 0.55 -4.93 115.22 112.74 1r17 n HIS 447 Ca 0.10 0.79 -0.11 0.00 -0.26 0.00 0.00 57.72 58.24 1r17 n HIS 447 Cb 0.33 -4.01 -0.10 0.00 1.12 0.00 0.00 29.99 27.33 1r17 n HIS 447 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1r17 s THR 448 N -3.36 0.71 0.14 1.59 -4.23 -0.71 -1.85 115.64 107.93 1r17 s THR 448 Ca 0.42 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1r17 s THR 448 Cb -0.05 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1r17 s THR 448 CO 0.68 -0.78 -0.14 0.68 -0.54 0.00 0.00 174.62 174.52 1r17 s VAL 449 N -3.62 1.41 -0.13 2.29 -7.23 -0.03 -0.77 120.40 112.32 1r17 s VAL 449 Ca 0.15 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1r17 s VAL 449 Cb 0.05 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1r17 s VAL 449 CO -0.03 -0.45 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.39 1r17 s GLU 450 N -2.88 3.05 -0.13 4.82 2.12 0.05 -1.82 118.70 123.92 1r17 s GLU 450 Ca 0.12 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.60 1r17 s GLU 450 Cb -0.04 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 1r17 s GLU 450 CO 0.04 0.05 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.52 1r17 s GLN 451 N 0.65 3.31 -0.28 4.30 0.74 0.35 -0.02 119.66 128.71 1r17 s GLN 451 Ca -0.11 -0.73 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 1r17 s GLN 451 Cb -0.16 -2.58 -0.01 0.00 1.10 0.00 0.00 33.01 31.35 1r17 s GLN 451 CO 0.02 0.17 0.10 0.99 -0.55 0.00 0.00 175.29 176.02 1r17 s THR 452 N 0.44 4.31 -0.11 -0.34 2.01 -0.04 -1.02 115.64 120.89 1r17 s THR 452 Ca -0.11 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1r17 s THR 452 Cb -0.16 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1r17 s THR 452 CO 0.05 0.17 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.42 1r17 s ILE 453 N 1.58 3.36 -0.32 1.82 1.01 0.29 -1.64 121.20 127.30 1r17 s ILE 453 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1r17 s ILE 453 Cb -0.16 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1r17 s ILE 453 CO 0.04 0.54 0.18 -0.31 0.00 0.00 0.00 174.94 175.39 1r17 s TYR 454 N -0.03 3.20 -0.23 3.97 2.02 0.46 -0.80 117.35 125.93 1r17 s TYR 454 Ca -0.02 -0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 1r17 s TYR 454 Cb -0.14 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 1r17 s TYR 454 CO 0.03 -0.42 0.10 0.42 -1.57 0.00 0.00 175.55 174.12 1r17 s ILE 455 N 1.65 4.75 -1.26 2.71 -1.09 0.25 -2.14 121.20 126.07 1r17 s ILE 455 Ca 0.05 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1r17 s ILE 455 Cb -0.17 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1r17 s ILE 455 CO 0.08 0.36 1.05 -3.20 -1.23 0.00 0.00 174.94 171.99 1r17 n ASN 456 N 4.47 -3.48 0.17 3.58 4.05 -0.21 -0.98 115.26 122.86 1r17 n ASN 456 Ca -0.16 -0.61 0.13 0.00 0.45 0.00 0.00 54.58 54.40 1r17 n ASN 456 Cb 0.52 -5.03 0.57 0.00 1.23 0.00 0.00 39.78 37.06 1r17 n ASN 456 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1r17 h PRO 457 N -2.17 0.00 -0.03 1.20 0.13 -1.80 -2.11 132.00 127.22 1r17 h PRO 457 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1r17 h PRO 457 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1r17 h PRO 457 CO 0.53 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.58 1r17 n LEU 458 N -2.40 1.12 -3.72 1.56 4.77 -1.26 -4.91 117.00 112.16 1r17 n LEU 458 Ca 0.01 -0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 1r17 n LEU 458 Cb 0.20 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1r17 n LEU 458 CO 0.19 0.20 0.01 0.54 -1.33 0.00 0.00 177.39 177.00 1r17 n ARG 459 N -0.11 -5.43 -2.39 3.23 1.74 -0.79 -4.99 116.66 107.91 1r17 n ARG 459 Ca 0.19 0.65 -0.26 0.00 -0.77 0.00 0.00 57.85 57.67 1r17 n ARG 459 Cb 0.28 -5.37 0.04 0.00 -1.02 0.00 0.00 32.46 26.40 1r17 n ARG 459 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1r17 s TYR 460 N -3.53 3.10 -1.16 -1.55 2.02 -1.26 -4.86 117.35 110.11 1r17 s TYR 460 Ca 0.19 0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 57.24 1r17 s TYR 460 Cb -0.09 -2.86 0.19 0.00 -0.40 0.00 0.00 41.96 38.79 1r17 s TYR 460 CO 0.80 -0.99 1.33 0.45 -1.57 0.00 0.00 175.55 175.57 1r17 s SER 461 N -4.38 7.08 -0.44 2.29 0.15 -1.26 -4.00 113.70 113.13 1r17 s SER 461 Ca 0.56 -3.02 -0.27 0.00 0.70 0.00 0.00 55.95 53.92 1r17 s SER 461 Cb -0.11 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 1r17 s SER 461 CO 0.44 -0.68 1.03 0.00 1.20 0.00 0.00 173.24 175.22 1r17 s ALA 462 N 1.10 3.26 0.20 5.45 0.00 -0.25 -4.93 121.76 126.59 1r17 s ALA 462 Ca 0.39 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1r17 s ALA 462 Cb -0.05 -3.73 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 1r17 s ALA 462 CO -0.03 -2.00 0.68 0.15 0.00 0.00 0.00 175.76 174.56 1r17 s LYS 463 N 3.98 4.18 -1.53 0.00 -0.14 -1.26 -1.52 119.74 123.45 1r17 s LYS 463 Ca 0.42 0.77 -0.06 0.00 -1.36 0.00 0.00 55.97 55.74 1r17 s LYS 463 Cb -0.09 -2.89 0.05 0.00 -1.68 0.00 0.00 37.83 33.22 1r17 s LYS 463 CO 0.26 0.41 0.44 0.39 -0.76 0.00 0.00 175.35 176.10 1r17 n GLU 464 N 0.73 -2.73 -2.07 1.68 1.02 -1.22 -1.39 120.64 116.66 1r17 n GLU 464 Ca -0.03 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.02 1r17 n GLU 464 Cb 0.51 -4.50 -0.03 0.00 -0.02 0.00 0.00 31.44 27.40 1r17 n GLU 464 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1r17 s THR 465 N -3.84 3.02 -0.01 2.62 2.01 -0.14 -4.41 115.64 114.89 1r17 s THR 465 Ca 0.22 0.73 0.04 0.00 0.31 0.00 0.00 61.69 62.99 1r17 s THR 465 Cb -0.12 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1r17 s THR 465 CO 0.92 0.05 -0.13 0.21 -0.69 0.00 0.00 174.62 174.99 1r17 s ASN 466 N 1.16 1.49 -0.13 3.53 2.47 -0.47 -0.99 114.94 121.99 1r17 s ASN 466 Ca 0.67 -0.23 0.02 0.00 0.42 0.00 0.00 52.86 53.74 1r17 s ASN 466 Cb -0.40 -0.20 0.01 0.00 -1.45 0.00 0.00 41.25 39.22 1r17 s ASN 466 CO 0.31 0.15 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.96 1r17 s VAL 467 N -0.23 1.77 -0.14 -5.21 1.01 -0.30 -0.50 120.40 116.79 1r17 s VAL 467 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1r17 s VAL 467 Cb -0.06 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1r17 s VAL 467 CO -0.00 0.49 -0.08 0.21 0.00 0.00 0.00 175.10 175.72 1r17 s ASN 468 N 1.00 4.45 -0.20 3.32 3.84 0.40 -0.34 114.94 127.40 1r17 s ASN 468 Ca -0.05 -0.21 -0.03 0.00 0.21 0.00 0.00 52.86 52.79 1r17 s ASN 468 Cb -0.15 -1.70 -0.00 0.00 -0.55 0.00 0.00 41.25 38.85 1r17 s ASN 468 CO -0.04 0.17 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.73 1r17 s ILE 469 N 0.34 3.09 -0.02 -5.21 1.01 -0.06 -0.43 121.20 119.92 1r17 s ILE 469 Ca -0.07 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1r17 s ILE 469 Cb -0.15 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1r17 s ILE 469 CO 0.04 0.46 -0.22 -0.55 0.00 0.00 0.00 174.94 174.67 1r17 s SER 470 N 1.34 2.60 0.00 3.58 0.15 0.79 -0.90 113.70 121.27 1r17 s SER 470 Ca 0.04 -0.41 0.23 0.00 0.70 0.00 0.00 55.95 56.51 1r17 s SER 470 Cb -0.14 -0.36 0.69 0.00 -1.71 0.00 0.00 66.02 64.50 1r17 s SER 470 CO -0.04 0.26 1.53 0.61 1.20 0.00 0.00 173.24 176.79 1r17 n GLY 471 N 2.61 0.59 3.39 9.45 0.00 -0.22 -1.16 105.19 119.86 1r17 n GLY 471 Ca -0.16 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 1r17 n GLY 471 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r17 s ASN 472 N -1.67 6.82 0.48 1.61 0.02 -1.26 -1.63 114.94 119.30 1r17 s ASN 472 Ca 0.34 -2.59 -0.01 0.00 -1.02 0.00 0.00 52.86 49.58 1r17 s ASN 472 Cb 0.19 -2.30 -0.00 0.00 0.02 0.00 0.00 41.25 39.16 1r17 s ASN 472 CO 0.29 -0.74 0.71 -0.83 0.02 0.00 0.00 177.10 176.55 1r17 s GLY 473 N 2.68 1.58 0.31 0.66 0.00 -0.21 -4.88 107.32 107.45 1r17 s GLY 473 Ca 0.28 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 44.10 1r17 s GLY 473 CO -0.08 -0.80 1.72 1.29 0.00 0.00 0.00 173.10 175.23 1r17 h ASP 474 N 0.29 0.13 0.00 1.64 3.04 -1.96 -3.31 116.42 116.25 1r17 h ASP 474 Ca -0.46 -0.06 -0.01 0.00 -3.24 0.00 0.00 57.03 53.27 1r17 h ASP 474 Cb 1.25 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 1r17 h ASP 474 CO 0.58 0.56 -0.37 -0.62 -2.04 0.00 0.00 179.24 177.34 1r17 n GLU 475 N -4.01 0.39 -3.06 4.15 1.02 -1.26 -5.11 120.64 112.76 1r17 n GLU 475 Ca -0.02 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 1r17 n GLU 475 Cb 0.48 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 1r17 n GLU 475 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r17 n GLY 476 N -0.41 -1.25 3.73 0.62 0.00 -1.25 -4.62 105.19 102.01 1r17 n GLY 476 Ca 0.05 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1r17 n GLY 476 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r17 s SER 477 N -3.75 -0.19 0.27 1.61 1.04 0.44 -1.05 113.70 112.08 1r17 s SER 477 Ca 0.00 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1r17 s SER 477 Cb 0.00 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1r17 s SER 477 CO 0.00 -0.86 0.24 0.35 0.98 0.00 0.00 173.24 173.95 1r17 n THR 478 N -0.45 0.00 -4.06 2.02 -2.24 -0.64 -2.85 114.28 106.06 1r17 n THR 478 Ca -0.06 -2.01 -0.33 0.00 -2.27 0.00 0.00 64.05 59.38 1r17 n THR 478 Cb 0.61 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 1r17 n THR 478 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r17 s ILE 479 N -3.12 2.28 -0.21 2.28 1.01 0.14 -4.57 121.20 119.01 1r17 s ILE 479 Ca 0.33 -1.32 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 1r17 s ILE 479 Cb 0.02 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1r17 s ILE 479 CO 0.23 0.18 0.02 -0.63 0.00 0.00 0.00 174.94 174.75 1r17 s ILE 480 N 1.20 4.11 0.00 2.92 -1.09 -1.26 -3.30 121.20 123.79 1r17 s ILE 480 Ca -0.03 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1r17 s ILE 480 Cb -0.17 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1r17 s ILE 480 CO -0.07 0.41 0.00 -0.90 -1.23 0.00 0.00 174.94 173.14 1r17 n ASP 481 N 4.37 0.00 0.11 3.58 3.85 -1.26 -4.39 116.55 122.80 1r17 n ASP 481 Ca -0.17 -0.10 0.12 0.00 -0.71 0.00 0.00 54.79 53.93 1r17 n ASP 481 Cb 0.52 0.00 0.61 0.00 -1.35 0.00 0.00 41.12 40.90 1r17 n ASP 481 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1r17 h ASP 482 N 0.00 0.11 1.36 -1.12 3.45 -1.99 -1.74 116.42 116.49 1r17 h ASP 482 Ca 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1r17 h ASP 482 Cb 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1r17 h ASP 482 CO 0.00 0.07 0.00 0.77 -1.57 0.00 0.00 179.24 178.51 1r17 h SER 483 N 0.12 0.00 -2.58 6.45 4.64 -1.96 -3.45 113.55 116.78 1r17 h SER 483 Ca 0.13 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.92 1r17 h SER 483 Cb 0.36 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.50 1r17 h SER 483 CO -0.02 0.00 1.03 0.41 -0.87 0.00 0.00 176.83 177.38 1r17 n THR 484 N -2.93 0.10 -3.80 2.95 -1.04 -0.66 -4.97 114.28 103.94 1r17 n THR 484 Ca 0.02 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.66 1r17 n THR 484 Cb 0.38 -1.99 -0.10 0.00 -1.82 0.00 0.00 70.33 66.80 1r17 n THR 484 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1r17 s ILE 485 N 1.60 5.05 -0.07 12.58 1.01 -0.62 -4.95 121.20 135.80 1r17 s ILE 485 Ca 0.77 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.51 1r17 s ILE 485 Cb -0.51 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1r17 s ILE 485 CO 0.34 0.39 -0.12 -0.63 0.00 0.00 0.00 174.94 174.92 1r17 s ILE 486 N 0.82 1.14 0.03 2.92 1.01 -1.26 -0.52 121.20 125.34 1r17 s ILE 486 Ca 0.06 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1r17 s ILE 486 Cb -0.13 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1r17 s ILE 486 CO 0.02 0.36 -0.19 -0.54 0.00 0.00 0.00 174.94 174.59 1r17 s LYS 487 N 0.69 1.36 -0.06 2.79 -0.14 -0.45 -4.95 119.74 118.98 1r17 s LYS 487 Ca -0.14 -0.86 0.02 0.00 -1.36 0.00 0.00 55.97 53.63 1r17 s LYS 487 Cb -0.16 -1.43 0.01 0.00 -1.68 0.00 0.00 37.83 34.58 1r17 s LYS 487 CO 0.04 0.37 -0.11 0.08 -0.76 0.00 0.00 175.35 174.96 1r17 s VAL 488 N -0.73 1.04 0.06 3.17 1.01 -1.26 -0.79 120.40 122.91 1r17 s VAL 488 Ca 0.07 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1r17 s VAL 488 Cb -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1r17 s VAL 488 CO 0.01 0.33 -0.21 -0.31 0.00 0.00 0.00 175.10 174.92 1r17 s TYR 489 N 0.59 1.83 -0.14 5.22 1.51 0.08 -0.88 117.35 125.56 1r17 s TYR 489 Ca -0.12 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1r17 s TYR 489 Cb -0.14 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1r17 s TYR 489 CO 0.03 0.13 0.10 0.21 -1.11 0.00 0.00 175.55 174.91 1r17 s LYS 490 N -1.42 3.62 -0.20 -0.62 2.20 0.57 -0.60 119.74 123.30 1r17 s LYS 490 Ca 0.07 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.28 1r17 s LYS 490 Cb -0.09 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1r17 s LYS 490 CO 0.03 0.58 0.44 0.08 -0.36 0.00 0.00 175.35 176.12 1r17 s VAL 491 N -0.47 5.16 1.03 4.02 1.01 -0.41 -3.15 120.40 127.59 1r17 s VAL 491 Ca 0.11 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 1r17 s VAL 491 Cb -0.12 -3.77 0.21 0.00 0.00 0.00 0.00 36.38 32.70 1r17 s VAL 491 CO 0.02 0.22 1.09 -0.83 0.00 0.00 0.00 175.10 175.60 1r17 s GLY 492 N 1.08 1.62 0.31 4.51 0.00 -1.26 -4.43 107.32 109.15 1r17 s GLY 492 Ca 0.21 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.17 1r17 s GLY 492 CO 0.09 0.79 1.88 -0.55 0.00 0.00 0.00 173.10 175.30 1r17 h ASP 493 N -2.21 0.67 -0.59 1.64 3.45 -2.00 -2.30 116.42 115.09 1r17 h ASP 493 Ca -0.52 -0.10 -0.03 0.00 0.43 0.00 0.00 57.03 56.81 1r17 h ASP 493 Cb 1.30 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.87 1r17 h ASP 493 CO 0.46 0.65 0.04 0.59 -1.57 0.00 0.00 179.24 179.41 1r17 n ASN 494 N -4.31 5.53 -4.54 6.45 5.03 -1.26 -4.93 115.26 117.23 1r17 n ASN 494 Ca 0.04 -2.99 -0.33 0.00 0.87 0.00 0.00 54.58 52.16 1r17 n ASN 494 Cb 0.19 -0.69 -0.12 0.00 -1.02 0.00 0.00 39.78 38.14 1r17 n ASN 494 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1r17 s GLN 495 N -2.82 2.73 -0.10 3.52 0.74 -0.87 -5.11 119.66 117.76 1r17 s GLN 495 Ca 0.54 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 55.38 1r17 s GLN 495 Cb 0.42 -2.54 0.01 0.00 1.10 0.00 0.00 33.01 32.00 1r17 s GLN 495 CO 0.15 0.62 -0.17 -0.80 -0.55 0.00 0.00 175.29 174.54 1r17 s ASN 496 N -0.69 2.50 0.44 6.67 0.01 -1.26 -4.72 114.94 117.89 1r17 s ASN 496 Ca 0.10 -0.45 -0.23 0.00 -0.71 0.00 0.00 52.86 51.58 1r17 s ASN 496 Cb -0.11 -1.14 -0.08 0.00 0.41 0.00 0.00 41.25 40.33 1r17 s ASN 496 CO 0.01 0.07 1.14 -0.76 -1.51 0.00 0.00 177.10 176.05 1r17 s LEU 497 N 0.70 4.06 0.17 0.60 1.43 -1.26 -4.99 118.68 119.39 1r17 s LEU 497 Ca -0.12 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 1r17 s LEU 497 Cb -0.16 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 1r17 s LEU 497 CO 0.03 -0.80 1.29 -2.84 0.23 0.00 0.00 176.35 174.25 1r17 s PRO 498 N -2.62 4.40 0.62 1.29 0.02 -1.26 -4.90 135.00 132.55 1r17 s PRO 498 Ca 0.62 1.99 0.35 0.00 0.02 0.00 0.00 61.00 63.98 1r17 s PRO 498 Cb -0.27 -3.23 2.00 0.00 0.02 0.00 0.00 34.50 33.02 1r17 s PRO 498 CO 0.33 -0.25 2.25 -0.44 -0.33 0.00 0.00 177.00 178.57 1r17 h ASP 499 N 5.71 0.00 0.10 2.53 3.32 -1.60 -1.39 116.42 125.09 1r17 h ASP 499 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1r17 h ASP 499 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1r17 h ASP 499 CO 0.78 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 179.07 1r17 h SER 500 N 0.00 0.00 -1.99 6.45 4.64 -1.46 -3.43 113.55 117.76 1r17 h SER 500 Ca 0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.00 1r17 h SER 500 Cb 0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 1r17 h SER 500 CO -0.00 0.00 -0.40 -3.20 -0.87 0.00 0.00 176.83 172.36 1r17 n ASN 501 N -2.48 -4.94 -3.82 4.97 4.05 -0.53 -4.99 115.26 107.53 1r17 n ASN 501 Ca -0.01 0.09 -0.17 0.00 0.45 0.00 0.00 54.58 54.94 1r17 n ASN 501 Cb 0.07 -4.01 -0.16 0.00 1.23 0.00 0.00 39.78 36.91 1r17 n ASN 501 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1r17 s ARG 502 N -4.49 0.27 -0.28 1.20 3.52 -1.26 -4.69 118.95 113.22 1r17 s ARG 502 Ca 0.00 0.08 -0.10 0.00 -0.13 0.00 0.00 55.73 55.58 1r17 s ARG 502 Cb 0.00 -0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1r17 s ARG 502 CO 0.00 -0.13 0.15 0.42 -0.81 0.00 0.00 175.30 174.93 1r17 s ILE 503 N 0.99 4.87 -1.08 4.11 -1.09 -1.26 -4.84 121.20 122.90 1r17 s ILE 503 Ca -0.10 -0.07 0.23 0.00 -2.23 0.00 0.00 60.65 58.48 1r17 s ILE 503 Cb -0.13 -3.35 -0.09 0.00 -1.58 0.00 0.00 42.46 37.31 1r17 s ILE 503 CO -0.02 0.23 1.18 -1.22 -1.23 0.00 0.00 174.94 173.88 1r17 n TYR 504 N 5.01 0.00 -3.34 3.97 4.02 -1.26 -4.72 117.16 120.84 1r17 n TYR 504 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 1r17 n TYR 504 Cb 0.51 -0.12 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 1r17 n TYR 504 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1r17 s ASP 505 N -2.95 0.87 0.08 7.72 3.68 -1.26 -5.00 116.67 119.80 1r17 s ASP 505 Ca 0.11 -1.28 0.17 0.00 2.13 0.00 0.00 52.55 53.67 1r17 s ASP 505 Cb 0.17 0.75 0.71 0.00 -1.45 0.00 0.00 42.92 43.10 1r17 s ASP 505 CO 0.76 -0.27 1.52 -1.22 0.13 0.00 0.00 175.17 176.09 1r17 n TYR 506 N 4.50 0.24 0.43 -5.34 4.01 -1.26 -2.33 117.16 117.40 1r17 n TYR 506 Ca 0.09 0.09 0.08 0.00 -0.16 0.00 0.00 57.90 58.00 1r17 n TYR 506 Cb 0.47 -0.65 0.35 0.00 -0.31 0.00 0.00 39.34 39.20 1r17 n TYR 506 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1r17 n SER 507 N -1.72 0.21 0.06 7.72 3.41 -1.26 -1.65 113.62 120.39 1r17 n SER 507 Ca 0.03 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1r17 n SER 507 Cb 0.18 -0.60 0.50 0.00 -0.26 0.00 0.00 64.21 64.03 1r17 n SER 507 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r17 n GLU 508 N -1.74 0.14 -4.34 4.33 1.02 -0.98 -4.84 120.64 114.23 1r17 n GLU 508 Ca 0.03 0.11 -0.28 0.00 -0.02 0.00 0.00 57.16 57.00 1r17 n GLU 508 Cb 0.17 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 29.82 1r17 n GLU 508 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1r17 s TYR 509 N -3.05 2.48 -0.13 -0.32 1.51 -0.66 -4.99 117.35 112.18 1r17 s TYR 509 Ca 0.12 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 1r17 s TYR 509 Cb 0.15 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1r17 s TYR 509 CO 0.57 0.46 1.19 -2.00 -1.11 0.00 0.00 175.55 174.66 1r17 s GLU 510 N -2.55 4.29 -0.41 -0.62 2.12 -1.19 -4.91 118.70 115.44 1r17 s GLU 510 Ca 0.21 1.60 -0.28 0.00 0.36 0.00 0.00 54.97 56.86 1r17 s GLU 510 Cb -0.09 -3.66 0.02 0.00 0.26 0.00 0.00 34.13 30.66 1r17 s GLU 510 CO 0.12 -0.58 1.03 0.34 -0.54 0.00 0.00 175.26 175.63 1r17 s ASP 511 N 1.63 6.69 -0.17 -1.70 -1.08 -1.26 -0.31 116.67 120.47 1r17 s ASP 511 Ca 0.53 0.57 0.17 0.00 -0.52 0.00 0.00 52.55 53.31 1r17 s ASP 511 Cb -0.21 -2.51 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 1r17 s ASP 511 CO 0.16 -1.03 1.34 1.33 0.52 0.00 0.00 175.17 177.49 1r17 n VAL 512 N 6.32 2.18 -1.68 1.11 0.24 -0.05 -4.96 118.33 121.48 1r17 n VAL 512 Ca 0.10 -2.01 -0.45 0.00 -2.04 0.00 0.00 64.34 59.94 1r17 n VAL 512 Cb 0.48 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 1r17 n VAL 512 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1r17 n THR 513 N -0.80 0.81 -3.31 3.34 -1.04 -0.97 -4.87 114.28 107.44 1r17 n THR 513 Ca 0.20 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1r17 n THR 513 Cb 0.82 -1.52 -0.06 0.00 -1.82 0.00 0.00 70.33 67.75 1r17 n THR 513 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1r17 s ASN 514 N 0.40 0.36 0.66 8.00 3.04 -1.26 -4.99 114.94 121.15 1r17 s ASN 514 Ca 0.69 -0.32 0.31 0.00 0.04 0.00 0.00 52.86 53.59 1r17 s ASN 514 Cb -0.64 1.11 1.71 0.00 -1.54 0.00 0.00 41.25 41.89 1r17 s ASN 514 CO 0.48 -0.35 1.97 0.44 -3.04 0.00 0.00 177.10 176.60 1r17 h ASP 515 N 8.16 0.00 -0.55 -4.21 3.45 -1.93 -1.18 116.42 120.17 1r17 h ASP 515 Ca -0.10 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.38 1r17 h ASP 515 Cb 1.12 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.86 1r17 h ASP 515 CO 0.26 0.00 0.36 0.44 -1.57 0.00 0.00 179.24 178.74 1r17 h ASP 516 N 0.00 0.59 -0.47 6.45 5.19 -2.01 -2.32 116.42 123.85 1r17 h ASP 516 Ca 0.01 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1r17 h ASP 516 Cb 0.61 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1r17 h ASP 516 CO -0.00 0.42 0.00 -1.22 -3.12 0.00 0.00 179.24 175.32 1r17 n TYR 517 N -4.46 0.80 -5.21 4.55 4.02 -0.44 -4.80 117.16 111.61 1r17 n TYR 517 Ca 0.06 -0.36 -0.32 0.00 -0.01 0.00 0.00 57.90 57.27 1r17 n TYR 517 Cb 0.09 -0.08 -0.17 0.00 -0.02 0.00 0.00 39.34 39.17 1r17 n TYR 517 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r17 s ALA 518 N -1.51 2.19 -0.10 -0.72 0.00 -0.87 -1.25 121.76 119.49 1r17 s ALA 518 Ca 0.33 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1r17 s ALA 518 Cb 0.19 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1r17 s ALA 518 CO 0.20 0.31 0.26 -0.65 0.00 0.00 0.00 175.76 175.88 1r17 s GLN 519 N 0.24 0.25 0.62 0.00 -1.52 -0.36 -4.96 119.66 113.94 1r17 s GLN 519 Ca -0.16 0.46 -0.19 0.00 -1.95 0.00 0.00 55.36 53.52 1r17 s GLN 519 Cb -0.17 0.00 -0.02 0.00 -0.22 0.00 0.00 33.01 32.60 1r17 s GLN 519 CO 0.08 -0.11 1.31 -0.51 -0.25 0.00 0.00 175.29 175.82 1r17 s LEU 520 N 0.76 3.64 0.00 2.90 1.43 -1.26 -0.15 118.68 126.00 1r17 s LEU 520 Ca -0.05 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1r17 s LEU 520 Cb -0.06 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.63 1r17 s LEU 520 CO -0.05 -1.91 0.03 0.61 0.23 0.00 0.00 176.35 175.27 1r17 n GLY 521 N 0.86 1.07 1.16 -3.19 0.00 0.75 -4.72 105.19 101.11 1r17 n GLY 521 Ca 0.15 -2.00 0.08 0.00 0.00 0.00 0.00 46.02 44.24 1r17 n GLY 521 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r17 n ASN 522 N -2.99 3.37 -2.88 1.61 0.23 -1.26 -4.66 115.26 108.68 1r17 n ASN 522 Ca 0.01 -2.21 -0.03 0.00 -0.53 0.00 0.00 54.58 51.82 1r17 n ASN 522 Cb 0.02 -0.45 0.01 0.00 -2.08 0.00 0.00 39.78 37.28 1r17 n ASN 522 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1r17 s ASN 523 N -0.87 -1.45 -1.47 0.53 2.47 -1.26 -4.99 114.94 107.91 1r17 s ASN 523 Ca 0.37 -1.46 -0.01 0.00 0.42 0.00 0.00 52.86 52.18 1r17 s ASN 523 Cb 0.22 1.89 0.01 0.00 -1.45 0.00 0.00 41.25 41.92 1r17 s ASN 523 CO 0.21 -0.08 0.32 -3.20 -3.72 0.00 0.00 177.10 170.63 1r17 n ASN 524 N 3.32 -0.11 -3.63 -4.21 4.05 -1.26 -4.77 115.26 108.65 1r17 n ASN 524 Ca 0.16 -1.09 -0.10 0.00 0.45 0.00 0.00 54.58 54.00 1r17 n ASN 524 Cb 0.56 -2.62 -0.04 0.00 1.23 0.00 0.00 39.78 38.92 1r17 n ASN 524 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1r17 s ASP 525 N -4.31 0.19 -0.03 1.20 -4.77 -1.26 -1.05 116.67 106.63 1r17 s ASP 525 Ca 0.05 -1.10 -0.06 0.00 -3.30 0.00 0.00 52.55 48.14 1r17 s ASP 525 Cb -0.03 0.65 0.01 0.00 -1.09 0.00 0.00 42.92 42.47 1r17 s ASP 525 CO 0.92 -1.28 0.14 0.54 0.70 0.00 0.00 175.17 176.19 1r17 s VAL 526 N -3.50 0.03 -0.07 2.11 0.11 -0.07 -0.18 120.40 118.83 1r17 s VAL 526 Ca 0.23 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1r17 s VAL 526 Cb -0.02 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1r17 s VAL 526 CO 0.12 -0.16 -0.17 0.20 -3.33 0.00 0.00 175.10 171.77 1r17 s ASN 527 N -0.50 3.79 -0.18 3.54 -0.87 0.79 -0.88 114.94 120.63 1r17 s ASN 527 Ca -0.06 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 50.94 1r17 s ASN 527 Cb -0.04 -1.04 0.03 0.00 -0.02 0.00 0.00 41.25 40.18 1r17 s ASN 527 CO 0.01 0.27 -0.16 -0.63 -2.57 0.00 0.00 177.10 174.02 1r17 s ILE 528 N -0.31 1.90 -0.31 0.60 1.01 0.53 -1.23 121.20 123.40 1r17 s ILE 528 Ca 0.02 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 1r17 s ILE 528 Cb -0.13 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1r17 s ILE 528 CO 0.03 0.40 0.67 0.21 0.00 0.00 0.00 174.94 176.25 1r17 s ASN 529 N 1.33 6.54 -0.08 3.58 3.04 -0.38 -1.15 114.94 127.82 1r17 s ASN 529 Ca 0.02 0.48 0.20 0.00 0.04 0.00 0.00 52.86 53.60 1r17 s ASN 529 Cb -0.14 -2.35 -0.31 0.00 -1.54 0.00 0.00 41.25 36.91 1r17 s ASN 529 CO -0.11 -0.52 0.35 0.49 -3.04 0.00 0.00 177.10 174.27 1r17 n PHE 530 N 5.97 0.00 -4.35 0.43 3.01 -0.17 -4.91 117.46 117.45 1r17 n PHE 530 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1r17 n PHE 530 Cb 0.49 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1r17 n PHE 530 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r17 n GLY 531 N 1.43 -0.15 3.68 1.37 0.00 -0.99 -4.67 105.19 105.87 1r17 n GLY 531 Ca -0.12 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1r17 n GLY 531 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r17 s ASN 532 N -4.00 7.20 0.12 1.61 0.01 -1.26 -0.97 114.94 117.65 1r17 s ASN 532 Ca 0.00 1.48 -0.00 0.00 -0.71 0.00 0.00 52.86 53.63 1r17 s ASN 532 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1r17 s ASN 532 CO 0.00 -0.51 0.02 0.27 -1.51 0.00 0.00 177.10 175.37 1r17 s ILE 533 N 2.37 0.27 0.00 0.60 -4.36 -0.57 -4.96 121.20 114.54 1r17 s ILE 533 Ca 0.47 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1r17 s ILE 533 Cb -0.17 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1r17 s ILE 533 CO 0.14 -0.61 0.16 -0.90 0.24 0.00 0.00 174.94 173.97 1r17 n ASP 534 N -0.07 0.00 -4.68 4.36 5.68 -1.26 -1.09 116.55 119.49 1r17 n ASP 534 Ca -0.08 -1.00 -0.23 0.00 -0.50 0.00 0.00 54.79 52.98 1r17 n ASP 534 Cb 0.63 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.54 1r17 n ASP 534 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1r17 s SER 535 N 0.00 4.63 0.43 -1.12 0.01 -1.26 -4.34 113.70 112.04 1r17 s SER 535 Ca 0.00 -0.67 -0.17 0.00 1.31 0.00 0.00 55.95 56.42 1r17 s SER 535 Cb 0.00 -0.83 -0.09 0.00 0.21 0.00 0.00 66.02 65.31 1r17 s SER 535 CO 0.00 -0.10 0.88 -2.84 0.41 0.00 0.00 173.24 171.59 1r17 s PRO 536 N -3.74 4.02 0.06 12.44 0.02 -1.24 -4.76 135.00 141.81 1r17 s PRO 536 Ca 0.33 0.86 0.02 0.00 0.02 0.00 0.00 61.00 62.23 1r17 s PRO 536 Cb -0.05 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 1r17 s PRO 536 CO 0.21 -0.06 -0.07 0.71 -0.33 0.00 0.00 177.00 177.46 1r17 s TYR 537 N -2.30 0.76 -0.10 6.54 1.51 -0.15 -1.29 117.35 122.31 1r17 s TYR 537 Ca 0.57 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 1r17 s TYR 537 Cb -0.10 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1r17 s TYR 537 CO 0.23 -0.11 -0.17 0.42 -1.11 0.00 0.00 175.55 174.81 1r17 s ILE 538 N -2.20 2.71 -0.17 2.71 1.01 0.23 -0.58 121.20 124.91 1r17 s ILE 538 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1r17 s ILE 538 Cb -0.04 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1r17 s ILE 538 CO -0.01 0.55 -0.15 -0.63 0.00 0.00 0.00 174.94 174.69 1r17 s ILE 539 N 0.13 2.57 -0.30 2.92 1.01 0.02 -0.74 121.20 126.81 1r17 s ILE 539 Ca -0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1r17 s ILE 539 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1r17 s ILE 539 CO 0.05 0.51 0.09 -0.75 0.00 0.00 0.00 174.94 174.84 1r17 s LYS 540 N 1.01 3.08 -0.11 2.79 2.20 0.03 -0.55 119.74 128.19 1r17 s LYS 540 Ca -0.02 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 1r17 s LYS 540 Cb -0.15 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1r17 s LYS 540 CO -0.04 -0.46 -0.17 0.08 -0.36 0.00 0.00 175.35 174.41 1r17 s VAL 541 N 1.50 2.73 -0.25 4.02 1.01 -0.19 -1.34 120.40 127.88 1r17 s VAL 541 Ca 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1r17 s VAL 541 Cb -0.17 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.14 1r17 s VAL 541 CO 0.03 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 174.97 1r17 s ILE 542 N 0.22 2.71 0.20 2.22 1.01 0.32 -0.49 121.20 127.39 1r17 s ILE 542 Ca -0.11 -1.18 0.09 0.00 0.00 0.00 0.00 60.65 59.45 1r17 s ILE 542 Cb -0.16 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 1r17 s ILE 542 CO 0.06 0.14 -0.17 -0.94 0.00 0.00 0.00 174.94 174.03 1r17 s SER 543 N 1.27 2.80 0.49 3.58 1.04 -0.75 -1.59 113.70 120.54 1r17 s SER 543 Ca -0.02 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.38 1r17 s SER 543 Cb -0.17 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1r17 s SER 543 CO -0.05 -0.08 0.82 -0.54 0.98 0.00 0.00 173.24 174.38 1r17 s LYS 544 N -3.30 3.58 0.11 4.02 -0.14 -1.21 -0.85 119.74 121.95 1r17 s LYS 544 Ca 0.21 0.32 0.03 0.00 -1.36 0.00 0.00 55.97 55.18 1r17 s LYS 544 Cb -0.03 -2.33 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 1r17 s LYS 544 CO 0.08 -0.24 -0.09 1.52 -0.76 0.00 0.00 175.35 175.86 1r17 s TYR 545 N -2.76 1.05 -0.50 3.18 -0.85 -0.77 0.28 117.35 116.97 1r17 s TYR 545 Ca 0.49 -0.77 -0.29 0.00 -0.52 0.00 0.00 57.07 55.98 1r17 s TYR 545 Cb -0.10 -0.57 0.02 0.00 0.38 0.00 0.00 41.96 41.69 1r17 s TYR 545 CO 0.45 -0.03 1.25 0.34 -1.52 0.00 0.00 175.55 176.03 1r17 s ASP 546 N -2.84 6.46 0.00 -0.18 -1.08 -1.26 -4.85 116.67 112.91 1r17 s ASP 546 Ca 0.10 0.42 0.16 0.00 -0.52 0.00 0.00 52.55 52.72 1r17 s ASP 546 Cb 0.01 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.79 1r17 s ASP 546 CO -0.01 -1.41 1.41 -0.81 0.52 0.00 0.00 175.17 174.87 1r17 n PRO 547 N 8.16 0.34 -0.58 4.34 -0.04 -1.26 -3.39 135.00 142.57 1r17 n PRO 547 Ca 0.12 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1r17 n PRO 547 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 1r17 n PRO 547 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r17 n ASN 548 N -1.16 4.43 0.18 3.54 3.02 -1.26 -4.48 115.26 119.54 1r17 n ASN 548 Ca 0.09 -2.98 0.10 0.00 -0.03 0.00 0.00 54.58 51.76 1r17 n ASN 548 Cb 0.09 -0.58 0.11 0.00 -0.61 0.00 0.00 39.78 38.79 1r17 n ASN 548 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1r17 h LYS 549 N 2.47 0.00 -4.68 3.52 6.56 -1.99 -3.47 116.57 118.97 1r17 h LYS 549 Ca 0.00 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.19 1r17 h LYS 549 Cb 1.60 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 33.28 1r17 h LYS 549 CO 0.30 0.11 -0.59 -3.47 -2.06 0.00 0.00 179.45 173.75 1r17 n ASP 550 N -3.06 -5.44 -3.15 0.86 2.03 -1.26 -4.94 116.55 101.59 1r17 n ASP 550 Ca 0.03 -0.29 0.05 0.00 0.52 0.00 0.00 54.79 55.09 1r17 n ASP 550 Cb 0.59 -4.42 -0.00 0.00 -0.72 0.00 0.00 41.12 36.56 1r17 n ASP 550 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r17 s ASP 551 N -2.67 -1.19 0.56 1.67 3.68 -1.26 -5.04 116.67 112.42 1r17 s ASP 551 Ca 0.31 0.18 0.24 0.00 2.13 0.00 0.00 52.55 55.42 1r17 s ASP 551 Cb -0.15 1.78 1.59 0.00 -1.45 0.00 0.00 42.92 44.69 1r17 s ASP 551 CO 0.39 -0.22 2.19 1.88 0.13 0.00 0.00 175.17 179.54 1r17 h TYR 552 N 7.76 0.00 0.00 -5.34 0.05 -1.93 -1.22 116.97 116.28 1r17 h TYR 552 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1r17 h TYR 552 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1r17 h TYR 552 CO 0.12 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.48 1r17 n THR 553 N -4.12 0.03 0.52 -2.88 -2.24 -1.26 -1.97 114.28 102.37 1r17 n THR 553 Ca -0.02 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1r17 n THR 553 Cb 0.14 -0.67 0.24 0.00 -2.10 0.00 0.00 70.33 67.94 1r17 n THR 553 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1r17 n THR 554 N -1.02 0.58 -3.26 4.28 -2.24 -0.46 -4.67 114.28 107.49 1r17 n THR 554 Ca 0.15 -0.63 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1r17 n THR 554 Cb 0.08 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.64 1r17 n THR 554 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r17 s ILE 555 N -1.42 5.02 -0.01 2.28 1.01 -0.83 -0.42 121.20 126.83 1r17 s ILE 555 Ca 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1r17 s ILE 555 Cb 0.18 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.51 1r17 s ILE 555 CO 0.24 -0.58 -0.01 -1.58 0.00 0.00 0.00 174.94 173.02 1r17 s GLN 556 N 2.29 0.16 -0.03 2.79 0.74 -1.13 -1.80 119.66 122.66 1r17 s GLN 556 Ca 0.13 -0.01 0.03 0.00 0.05 0.00 0.00 55.36 55.56 1r17 s GLN 556 Cb -0.18 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.71 1r17 s GLN 556 CO 0.13 -0.02 -0.13 -1.14 -0.55 0.00 0.00 175.29 173.58 1r17 s GLN 557 N 0.28 1.36 -0.02 1.67 0.74 -0.84 -3.16 119.66 119.69 1r17 s GLN 557 Ca -0.02 -0.45 0.05 0.00 0.05 0.00 0.00 55.36 54.98 1r17 s GLN 557 Cb -0.04 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.82 1r17 s GLN 557 CO -0.01 0.18 -0.15 0.99 -0.55 0.00 0.00 175.29 175.75 1r17 s THR 558 N 0.12 3.01 -0.02 -0.34 2.01 -0.31 -1.70 115.64 118.41 1r17 s THR 558 Ca -0.03 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1r17 s THR 558 Cb -0.10 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1r17 s THR 558 CO 0.01 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 1r17 s VAL 559 N -0.80 1.32 -0.06 3.82 1.01 0.86 -0.15 120.40 126.40 1r17 s VAL 559 Ca 0.13 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1r17 s VAL 559 Cb -0.11 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1r17 s VAL 559 CO 0.02 0.38 -0.07 -0.89 0.00 0.00 0.00 175.10 174.54 1r17 s THR 560 N -0.20 0.78 -0.18 3.92 2.01 0.43 -0.97 115.64 121.44 1r17 s THR 560 Ca 0.02 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 1r17 s THR 560 Cb -0.08 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1r17 s THR 560 CO 0.00 0.29 0.03 -0.32 -0.69 0.00 0.00 174.62 173.94 1r17 s MET 561 N 1.08 3.83 -0.05 4.92 1.75 0.39 -0.45 119.30 130.76 1r17 s MET 561 Ca -0.08 -0.42 0.06 0.00 -1.25 0.00 0.00 55.69 54.00 1r17 s MET 561 Cb -0.14 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.38 1r17 s MET 561 CO -0.01 0.19 -0.25 -1.14 -0.65 0.00 0.00 175.02 173.17 1r17 s GLN 562 N 0.55 2.49 0.05 4.11 0.74 0.35 -1.24 119.66 126.71 1r17 s GLN 562 Ca 0.01 -0.90 0.02 0.00 0.05 0.00 0.00 55.36 54.54 1r17 s GLN 562 Cb -0.13 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 1r17 s GLN 562 CO 0.02 0.42 -0.07 0.95 -0.55 0.00 0.00 175.29 176.05 1r17 s THR 563 N -0.25 0.49 -0.18 -0.34 -4.23 -0.42 -1.37 115.64 109.34 1r17 s THR 563 Ca -0.01 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.10 1r17 s THR 563 Cb -0.13 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1r17 s THR 563 CO 0.03 -0.50 0.47 -0.89 -0.54 0.00 0.00 174.62 173.19 1r17 s THR 564 N -1.86 5.16 -1.79 3.99 2.01 -0.49 -0.83 115.64 121.84 1r17 s THR 564 Ca -0.07 0.88 0.17 0.00 0.31 0.00 0.00 61.69 62.99 1r17 s THR 564 Cb -0.07 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.68 1r17 s THR 564 CO -0.01 0.24 0.95 2.30 -0.69 0.00 0.00 174.62 177.41 1r17 n ILE 565 N 4.21 0.00 -3.41 1.82 -5.35 -0.15 -4.34 119.36 112.15 1r17 n ILE 565 Ca -0.06 -0.38 -0.16 0.00 -0.27 0.00 0.00 62.75 61.88 1r17 n ILE 565 Cb 0.51 1.26 -0.10 0.00 -1.74 0.00 0.00 39.64 39.57 1r17 n ILE 565 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1r17 s ASN 566 N -1.84 1.37 0.45 7.28 3.04 -1.15 -4.99 114.94 119.10 1r17 s ASN 566 Ca 0.16 -0.50 0.18 0.00 0.04 0.00 0.00 52.86 52.75 1r17 s ASN 566 Cb 0.14 0.59 1.08 0.00 -1.54 0.00 0.00 41.25 41.52 1r17 s ASN 566 CO 0.37 -0.36 1.97 1.05 -3.04 0.00 0.00 177.10 177.09 1r17 h GLU 567 N 8.26 0.00 -0.07 0.43 4.11 -1.88 1.01 114.58 126.44 1r17 h GLU 567 Ca -0.15 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.10 1r17 h GLU 567 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1r17 h GLU 567 CO 0.31 0.21 -0.73 0.10 0.07 0.00 0.00 179.01 178.97 1r17 h TYR 568 N 0.00 0.48 0.00 2.06 -0.00 -1.98 -3.33 116.97 114.20 1r17 h TYR 568 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.73 58.51 1r17 h TYR 568 Cb 0.42 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 37.08 1r17 h TYR 568 CO 0.00 0.97 -1.40 0.25 -0.00 0.00 0.00 178.16 177.97 1r17 n THR 569 N -3.82 0.00 -0.94 -0.90 -2.24 -1.14 -4.99 114.28 100.24 1r17 n THR 569 Ca -0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1r17 n THR 569 Cb 0.71 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1r17 n THR 569 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r17 n GLY 570 N 1.80 0.62 3.67 3.38 0.00 0.35 -4.98 105.19 110.03 1r17 n GLY 570 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1r17 n GLY 570 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r17 n GLU 571 N -2.74 2.04 -4.47 1.61 2.13 -1.17 -4.81 120.64 113.23 1r17 n GLU 571 Ca 0.00 0.73 -0.23 0.00 0.66 0.00 0.00 57.16 58.32 1r17 n GLU 571 Cb 0.00 -2.38 -0.10 0.00 0.27 0.00 0.00 31.44 29.23 1r17 n GLU 571 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1r17 s PHE 572 N -0.13 1.94 0.07 4.31 -0.12 -1.26 -0.97 117.98 121.81 1r17 s PHE 572 Ca 0.67 -1.01 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 1r17 s PHE 572 Cb -0.64 -1.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.43 1r17 s PHE 572 CO 0.50 -0.03 -0.08 1.03 -0.05 0.00 0.00 175.22 176.60 1r17 s ARG 573 N -3.86 0.66 0.08 1.99 1.81 -0.01 -4.88 118.95 114.74 1r17 s ARG 573 Ca 0.33 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.39 1r17 s ARG 573 Cb 0.08 -0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.24 1r17 s ARG 573 CO 0.15 0.04 -0.10 0.95 -0.68 0.00 0.00 175.30 175.66 1r17 s THR 574 N -2.18 0.83 -0.02 0.02 -4.23 -1.26 -1.31 115.64 107.50 1r17 s THR 574 Ca -0.01 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1r17 s THR 574 Cb -0.05 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.69 1r17 s THR 574 CO -0.01 -0.48 -0.00 0.00 -0.54 0.00 0.00 174.62 173.58 1r17 s ALA 575 N -2.05 0.23 0.34 3.99 0.00 -0.38 -4.75 121.76 119.15 1r17 s ALA 575 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1r17 s ALA 575 Cb -0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 1r17 s ALA 575 CO 0.00 -0.04 -0.07 -1.12 0.00 0.00 0.00 175.76 174.54 1r17 s SER 576 N 0.69 3.45 -0.02 0.00 0.01 -1.26 -0.46 113.70 116.11 1r17 s SER 576 Ca -0.07 -1.23 -0.24 0.00 1.31 0.00 0.00 55.95 55.73 1r17 s SER 576 Cb -0.10 -0.30 0.05 0.00 0.21 0.00 0.00 66.02 65.89 1r17 s SER 576 CO -0.01 -0.29 0.52 -0.47 0.41 0.00 0.00 173.24 173.40 1r17 s TYR 577 N -2.76 -0.45 0.06 2.43 5.04 -0.14 -4.80 117.35 116.73 1r17 s TYR 577 Ca 0.32 0.71 -0.09 0.00 -2.44 0.00 0.00 57.07 55.58 1r17 s TYR 577 Cb 0.04 0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.63 1r17 s TYR 577 CO 0.15 -0.54 0.18 0.16 -1.34 0.00 0.00 175.55 174.17 1r17 s ASP 578 N -1.36 0.09 0.04 4.32 1.47 -1.26 -0.10 116.67 119.87 1r17 s ASP 578 Ca -0.11 -0.49 0.04 0.00 1.18 0.00 0.00 52.55 53.17 1r17 s ASP 578 Cb -0.02 0.30 -0.02 0.00 -0.34 0.00 0.00 42.92 42.83 1r17 s ASP 578 CO 0.06 -0.61 -0.13 0.20 0.68 0.00 0.00 175.17 175.37 1r17 s ASN 579 N -2.37 1.52 -0.01 2.11 0.01 -0.69 -4.96 114.94 110.55 1r17 s ASN 579 Ca -0.01 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1r17 s ASN 579 Cb 0.01 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.58 1r17 s ASN 579 CO -0.06 -0.01 -0.14 -0.89 -1.51 0.00 0.00 177.10 174.49 1r17 s THR 580 N -0.94 1.09 0.36 1.60 2.01 -1.26 -1.98 115.64 116.52 1r17 s THR 580 Ca -0.00 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 1r17 s THR 580 Cb -0.08 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 1r17 s THR 580 CO 0.01 0.29 1.12 -0.63 -0.69 0.00 0.00 174.62 174.73 1r17 s ILE 581 N -0.35 3.37 0.16 1.82 -1.09 -0.75 -4.98 121.20 119.39 1r17 s ILE 581 Ca 0.05 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.71 1r17 s ILE 581 Cb -0.05 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1r17 s ILE 581 CO -0.00 0.15 -0.07 0.00 -1.23 0.00 0.00 174.94 173.78 1r17 s ALA 582 N -1.39 1.44 0.18 9.38 0.00 -1.26 -4.05 121.76 126.06 1r17 s ALA 582 Ca 0.53 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 1r17 s ALA 582 Cb -0.29 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1r17 s ALA 582 CO 0.37 -0.15 0.63 -0.59 0.00 0.00 0.00 175.76 176.02 1r17 s PHE 583 N -3.40 -0.47 0.21 0.00 -0.12 -1.26 -5.03 117.98 107.90 1r17 s PHE 583 Ca 0.18 0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 57.21 1r17 s PHE 583 Cb 0.04 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1r17 s PHE 583 CO 0.01 -0.92 0.27 -1.54 -0.05 0.00 0.00 175.22 172.99 1r17 s SER 584 N -2.78 0.06 0.32 1.98 1.04 -1.26 -5.15 113.70 107.92 1r17 s SER 584 Ca 0.03 -1.15 0.04 0.00 0.48 0.00 0.00 55.95 55.35 1r17 s SER 584 Cb -0.02 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1r17 s SER 584 CO -0.09 -0.94 0.04 0.42 0.98 0.00 0.00 173.24 173.64 1r17 s THR 585 N -4.08 1.29 0.11 2.02 -4.23 -1.26 -5.03 115.64 104.45 1r17 s THR 585 Ca 0.30 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 1r17 s THR 585 Cb 0.04 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1r17 s THR 585 CO 0.09 -0.05 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.55 1r17 s SER 586 N -3.49 1.75 0.05 3.99 0.01 -1.26 -4.12 113.70 110.63 1r17 s SER 586 Ca 0.35 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 1r17 s SER 586 Cb 0.08 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1r17 s SER 586 CO 0.15 -0.18 -0.01 -0.94 0.41 0.00 0.00 173.24 172.68 1r17 s SER 587 N -2.34 0.41 -0.17 2.44 1.04 -0.26 -4.76 113.70 110.07 1r17 s SER 587 Ca 0.06 -0.89 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 1r17 s SER 587 Cb -0.05 0.20 0.06 0.00 0.10 0.00 0.00 66.02 66.33 1r17 s SER 587 CO 0.02 -0.57 0.11 -0.83 0.98 0.00 0.00 173.24 172.95 1r17 s GLY 588 N -2.70 0.31 -0.04 7.32 0.00 -1.25 -1.65 107.32 109.32 1r17 s GLY 588 Ca 0.03 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1r17 s GLY 588 CO -0.09 1.78 -0.24 -0.86 0.00 0.00 0.00 173.10 173.70 1r17 s GLN 589 N 2.16 2.30 0.30 2.90 -2.07 -0.36 -1.64 119.66 123.26 1r17 s GLN 589 Ca 0.03 -0.88 0.03 0.00 -1.82 0.00 0.00 55.36 52.71 1r17 s GLN 589 Cb -0.16 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.59 1r17 s GLN 589 CO -0.09 0.52 0.15 0.20 -1.32 0.00 0.00 175.29 174.74 1r17 s GLY 590 N -0.50 2.00 0.01 2.60 0.00 -0.41 0.67 107.32 111.68 1r17 s GLY 590 Ca 0.07 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 42.90 1r17 s GLY 590 CO 0.00 -1.59 0.25 -0.86 0.00 0.00 0.00 173.10 170.90 1r17 s GLN 591 N -3.86 0.65 -0.07 2.90 -2.07 0.56 -3.77 119.66 114.00 1r17 s GLN 591 Ca 0.36 -0.36 -0.29 0.00 -1.82 0.00 0.00 55.36 53.24 1r17 s GLN 591 Cb 0.06 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.32 1r17 s GLN 591 CO 0.17 -0.18 0.65 0.20 -1.32 0.00 0.00 175.29 174.81 1r17 s GLY 592 N -1.58 -0.54 -0.14 2.60 0.00 -1.26 -1.15 107.32 105.25 1r17 s GLY 592 Ca -0.11 1.31 -0.07 0.00 0.00 0.00 0.00 44.72 45.85 1r17 s GLY 592 CO 0.01 0.97 0.11 0.99 0.00 0.00 0.00 173.10 175.18 1r17 s ASP 593 N -1.04 6.08 0.12 1.64 1.01 -0.29 -4.87 116.67 119.31 1r17 s ASP 593 Ca -0.10 0.32 -0.30 0.00 0.71 0.00 0.00 52.55 53.18 1r17 s ASP 593 Cb -0.01 -1.97 -0.06 0.00 1.01 0.00 0.00 42.92 41.89 1r17 s ASP 593 CO 0.09 0.33 1.09 -1.48 0.21 0.00 0.00 175.17 175.41 1r17 s LEU 594 N -0.55 4.45 0.00 1.23 2.34 -1.26 -0.91 118.68 123.98 1r17 s LEU 594 Ca 0.12 1.98 0.00 0.00 0.06 0.00 0.00 54.13 56.29 1r17 s LEU 594 Cb -0.12 -3.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.92 1r17 s LEU 594 CO 0.02 -0.26 0.40 -2.65 -1.06 0.00 0.00 176.35 172.80