#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k90 s ILE 293 N 0.00 3.81 -0.47 5.15 1.01 -1.26 -4.89 121.20 124.55 1k90 s ILE 293 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 1k90 s ILE 293 Cb 0.00 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1k90 s ILE 293 CO 0.00 -0.31 1.64 -0.67 0.00 0.00 0.00 174.94 175.59 1k90 n ASP 294 N 8.11 2.43 -4.81 3.58 4.64 -1.26 -4.89 116.55 124.35 1k90 n ASP 294 Ca 0.18 -2.28 -0.32 0.00 -1.38 0.00 0.00 54.79 50.99 1k90 n ASP 294 Cb 0.45 -0.82 -0.06 0.00 -1.04 0.00 0.00 41.12 39.65 1k90 n ASP 294 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1k90 s VAL 295 N 4.58 4.81 0.74 5.18 -7.23 -1.26 -4.68 120.40 122.54 1k90 s VAL 295 Ca 0.31 -0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.81 1k90 s VAL 295 Cb 0.08 -3.28 0.04 0.00 0.56 0.00 0.00 36.38 33.78 1k90 s VAL 295 CO 0.04 0.21 1.11 -0.76 -0.31 0.00 0.00 175.10 175.39 1k90 s LEU 296 N -2.17 3.17 0.13 1.32 1.43 -0.98 -4.86 118.68 116.71 1k90 s LEU 296 Ca 0.28 1.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.35 1k90 s LEU 296 Cb -0.12 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1k90 s LEU 296 CO 0.20 -2.00 -0.02 -0.54 0.23 0.00 0.00 176.35 174.23 1k90 s LYS 297 N -4.52 0.96 0.35 1.70 1.02 -1.26 -2.64 119.74 115.35 1k90 s LYS 297 Ca 0.65 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1k90 s LYS 297 Cb -0.20 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 1k90 s LYS 297 CO 0.50 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 1k90 n GLY 298 N -0.13 1.31 0.38 -3.33 0.00 -0.79 -2.76 105.19 99.88 1k90 n GLY 298 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1k90 n GLY 298 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k90 h GLU 299 N 0.00 -0.02 -0.51 1.61 4.57 -1.99 -0.61 114.58 117.64 1k90 h GLU 299 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1k90 h GLU 299 Cb 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 1k90 h GLU 299 CO 0.00 -0.01 -0.05 0.87 -1.18 0.00 0.00 179.01 178.64 1k90 h LYS 300 N -0.02 0.07 -0.63 1.92 1.57 -1.95 0.23 116.57 117.77 1k90 h LYS 300 Ca 0.32 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1k90 h LYS 300 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1k90 h LYS 300 CO -0.96 0.05 0.14 0.00 -0.57 0.00 0.00 179.45 178.10 1k90 h ALA 301 N 1.48 0.83 -0.01 3.86 0.00 -0.98 -2.80 119.26 121.63 1k90 h ALA 301 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1k90 h ALA 301 Cb 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1k90 h ALA 301 CO -0.47 0.55 -0.11 1.25 0.00 0.00 0.00 179.25 180.47 1k90 h LEU 302 N 0.93 -0.33 -1.23 0.00 5.85 0.26 0.49 115.31 121.27 1k90 h LEU 302 Ca 0.19 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1k90 h LEU 302 Cb 0.38 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1k90 h LEU 302 CO 0.00 -0.16 0.59 0.50 -0.34 0.00 0.00 178.44 179.03 1k90 h LYS 303 N -0.19 0.73 0.00 1.25 3.64 -0.48 0.92 116.57 122.44 1k90 h LYS 303 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1k90 h LYS 303 Cb 0.25 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1k90 h LYS 303 CO -0.12 0.48 -0.08 0.00 -2.27 0.00 0.00 179.45 177.47 1k90 h ALA 304 N 1.59 0.95 -0.58 5.00 0.00 -1.17 -3.31 119.26 121.74 1k90 h ALA 304 Ca 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1k90 h ALA 304 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1k90 h ALA 304 CO -0.22 0.09 0.27 0.66 0.00 0.00 0.00 179.25 180.05 1k90 h SER 305 N 0.00 0.76 0.00 0.00 4.64 0.15 -3.45 113.55 115.64 1k90 h SER 305 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1k90 h SER 305 Cb 1.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1k90 h SER 305 CO 0.01 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1k90 n GLY 306 N -0.91 1.81 3.80 -0.77 0.00 -1.19 -2.47 105.19 105.46 1k90 n GLY 306 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1k90 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k90 s LEU 307 N 0.00 3.11 0.02 0.99 1.02 -1.26 -4.34 118.68 118.23 1k90 s LEU 307 Ca 0.00 1.69 -0.30 0.00 0.02 0.00 0.00 54.13 55.54 1k90 s LEU 307 Cb 0.00 -4.50 -0.05 0.00 0.02 0.00 0.00 46.19 41.65 1k90 s LEU 307 CO 0.00 -1.62 1.27 -0.69 0.02 0.00 0.00 176.35 175.33 1k90 s VAL 308 N -2.98 3.94 0.22 -1.59 1.01 -1.26 -4.90 120.40 114.84 1k90 s VAL 308 Ca 0.59 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.78 1k90 s VAL 308 Cb -0.15 -3.86 0.26 0.00 0.00 0.00 0.00 36.38 32.62 1k90 s VAL 308 CO 0.55 0.05 1.61 -0.65 0.00 0.00 0.00 175.10 176.65 1k90 h PRO 309 N 7.23 -0.03 -0.40 2.72 0.11 -1.94 0.16 132.00 139.85 1k90 h PRO 309 Ca -0.39 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.78 1k90 h PRO 309 Cb 1.19 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1k90 h PRO 309 CO 0.86 -0.02 0.12 0.93 -0.21 0.00 0.00 178.00 179.68 1k90 h GLU 310 N -0.03 0.27 -0.88 1.05 3.07 -1.99 -0.51 114.58 115.55 1k90 h GLU 310 Ca 0.32 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.21 1k90 h GLU 310 Cb 0.53 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1k90 h GLU 310 CO -0.73 0.18 0.58 0.45 -1.40 0.00 0.00 179.01 178.08 1k90 h HIS 311 N 0.27 1.04 0.19 4.33 3.86 -1.28 0.21 115.15 123.77 1k90 h HIS 311 Ca 0.19 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 1k90 h HIS 311 Cb 0.19 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1k90 h HIS 311 CO -0.16 0.58 -0.09 0.00 0.86 0.00 0.00 177.93 179.11 1k90 h ALA 312 N 1.50 -0.26 0.01 2.45 0.00 0.34 -2.27 119.26 121.03 1k90 h ALA 312 Ca 0.36 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1k90 h ALA 312 Cb 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1k90 h ALA 312 CO -0.12 -0.56 -0.14 -0.44 0.00 0.00 0.00 179.25 177.99 1k90 h ASP 313 N -0.43 -0.39 0.00 0.00 3.32 -0.64 0.00 116.42 118.28 1k90 h ASP 313 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1k90 h ASP 313 Cb 0.33 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1k90 h ASP 313 CO 0.04 -0.19 0.34 0.00 -1.72 0.00 0.00 179.24 177.72 1k90 h ALA 314 N 0.71 1.30 0.00 3.45 0.00 -0.47 0.40 119.26 124.66 1k90 h ALA 314 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1k90 h ALA 314 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1k90 h ALA 314 CO -0.13 -0.30 -1.55 0.74 0.00 0.00 0.00 179.25 178.01 1k90 h PHE 315 N 0.00 0.00 -0.91 0.00 0.05 -0.39 -3.34 116.94 112.35 1k90 h PHE 315 Ca 0.00 0.00 0.25 0.00 3.82 0.00 0.00 57.97 62.04 1k90 h PHE 315 Cb 0.69 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.59 1k90 h PHE 315 CO 0.00 0.80 0.64 0.87 -0.18 0.00 0.00 178.31 180.43 1k90 h LYS 316 N 0.00 0.10 0.70 1.51 1.57 0.22 -0.56 116.57 120.11 1k90 h LYS 316 Ca -0.22 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1k90 h LYS 316 Cb 1.80 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.10 1k90 h LYS 316 CO 0.06 0.07 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.45 1k90 h LYS 317 N 0.10 -0.90 -0.90 3.15 3.64 -1.68 0.07 116.57 120.05 1k90 h LYS 317 Ca 0.44 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1k90 h LYS 317 Cb 1.60 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 33.58 1k90 h LYS 317 CO -0.06 -0.58 0.59 0.82 -2.27 0.00 0.00 179.45 177.95 1k90 h ILE 318 N -1.01 1.23 0.25 2.00 5.03 -1.35 0.24 117.51 123.90 1k90 h ILE 318 Ca -0.10 -0.43 -0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1k90 h ILE 318 Cb 0.74 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.44 1k90 h ILE 318 CO 0.16 0.23 -0.12 0.00 -0.68 0.00 0.00 178.15 177.73 1k90 h ALA 319 N 1.43 -0.33 0.56 1.87 0.00 -1.10 -0.95 119.26 120.74 1k90 h ALA 319 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1k90 h ALA 319 Cb -0.14 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1k90 h ALA 319 CO -0.07 -0.65 -0.27 -0.09 0.00 0.00 0.00 179.25 178.17 1k90 h ARG 320 N -0.40 -0.73 0.16 0.00 2.43 -0.65 -2.29 114.38 112.90 1k90 h ARG 320 Ca -0.03 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1k90 h ARG 320 Cb 0.31 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1k90 h ARG 320 CO 0.06 -0.43 -0.21 1.49 -1.51 0.00 0.00 179.97 179.36 1k90 h GLU 321 N -0.89 -0.37 -0.41 0.20 4.81 -0.55 -2.78 114.58 114.60 1k90 h GLU 321 Ca -0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1k90 h GLU 321 Cb 0.63 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1k90 h GLU 321 CO 0.13 -0.24 0.00 1.28 -0.73 0.00 0.00 179.01 179.44 1k90 n LEU 322 N -3.62 0.41 -4.01 1.64 4.77 -0.36 -4.89 117.00 110.94 1k90 n LEU 322 Ca -0.04 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.37 1k90 n LEU 322 Cb 0.18 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1k90 n LEU 322 CO 0.09 0.10 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.90 1k90 n ASN 323 N -0.21 -2.77 -3.99 -1.43 4.05 -0.90 -4.46 115.26 105.54 1k90 n ASN 323 Ca 0.00 -1.03 -0.16 0.00 0.45 0.00 0.00 54.58 53.84 1k90 n ASN 323 Cb 0.10 -1.24 -0.14 0.00 1.23 0.00 0.00 39.78 39.74 1k90 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1k90 s THR 324 N -3.88 0.48 -0.01 -0.44 -1.32 -0.96 -1.03 115.64 108.49 1k90 s THR 324 Ca 0.35 -0.41 -0.27 0.00 -1.21 0.00 0.00 61.69 60.14 1k90 s THR 324 Cb -0.20 -0.44 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1k90 s THR 324 CO 0.77 0.03 0.87 -0.31 -2.21 0.00 0.00 174.62 173.77 1k90 s TYR 325 N -0.37 3.65 -0.15 9.09 1.51 0.20 -3.73 117.35 127.54 1k90 s TYR 325 Ca 0.00 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 57.57 1k90 s TYR 325 Cb -0.04 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.81 1k90 s TYR 325 CO -0.00 0.06 -0.07 0.42 -1.11 0.00 0.00 175.55 174.85 1k90 s ILE 326 N 0.77 3.52 -0.12 2.71 1.01 0.10 -1.18 121.20 128.02 1k90 s ILE 326 Ca 0.46 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1k90 s ILE 326 Cb -0.20 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1k90 s ILE 326 CO 0.24 0.50 -0.14 -0.76 0.00 0.00 0.00 174.94 174.78 1k90 s LEU 327 N 0.48 1.68 0.06 2.97 1.02 -0.77 -0.35 118.68 123.76 1k90 s LEU 327 Ca -0.06 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.71 1k90 s LEU 327 Cb -0.15 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.94 1k90 s LEU 327 CO 0.03 -0.01 -0.03 -0.36 0.02 0.00 0.00 176.35 176.01 1k90 s PHE 328 N 1.12 2.94 0.56 0.29 0.40 0.17 0.10 117.98 123.56 1k90 s PHE 328 Ca -0.04 -0.03 -0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1k90 s PHE 328 Cb -0.14 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1k90 s PHE 328 CO -0.04 0.44 0.88 1.03 0.70 0.00 0.00 175.22 178.24 1k90 s ARG 329 N -1.98 3.24 0.59 0.44 0.52 -0.21 -1.19 118.95 120.37 1k90 s ARG 329 Ca 0.22 0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 55.45 1k90 s ARG 329 Cb -0.11 -2.27 -0.06 0.00 0.52 0.00 0.00 34.95 33.02 1k90 s ARG 329 CO 0.14 -0.51 0.75 -2.30 0.02 0.00 0.00 175.30 173.39 1k90 n PRO 330 N -2.50 0.68 -4.64 3.54 -0.02 -1.25 -4.73 135.00 126.07 1k90 n PRO 330 Ca 0.03 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 1k90 n PRO 330 Cb 0.56 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.93 1k90 n PRO 330 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k90 s VAL 331 N -1.62 1.70 -0.92 -1.45 1.01 -1.03 -4.84 120.40 113.25 1k90 s VAL 331 Ca 0.73 -0.78 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 1k90 s VAL 331 Cb -0.43 -1.52 -0.21 0.00 0.00 0.00 0.00 36.38 34.22 1k90 s VAL 331 CO 0.50 0.48 2.61 -3.20 0.00 0.00 0.00 175.10 175.49 1k90 n ASN 332 N 4.03 0.39 -0.41 3.32 2.85 -1.26 -4.38 115.26 119.80 1k90 n ASN 332 Ca -0.20 0.25 0.36 0.00 -0.11 0.00 0.00 54.58 54.88 1k90 n ASN 332 Cb 0.52 -0.93 0.69 0.00 1.24 0.00 0.00 39.78 41.30 1k90 n ASN 332 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1k90 h LYS 333 N 11.66 0.10 0.00 1.20 1.57 -1.92 1.21 116.57 130.38 1k90 h LYS 333 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1k90 h LYS 333 Cb 1.33 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1k90 h LYS 333 CO 1.34 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 181.57 1k90 n LEU 334 N -4.34 0.00 -0.02 2.94 7.99 -1.26 -3.21 117.00 119.10 1k90 n LEU 334 Ca 0.31 0.21 -0.01 0.00 -0.01 0.00 0.00 56.01 56.51 1k90 n LEU 334 Cb 1.33 -0.21 -0.13 0.00 -0.11 0.00 0.00 43.42 44.30 1k90 n LEU 334 CO 0.34 -0.01 -0.68 0.00 -1.51 0.00 0.00 177.39 175.54 1k90 n ALA 335 N -1.21 1.95 -0.30 -1.18 0.00 0.41 -4.16 120.51 116.02 1k90 n ALA 335 Ca 0.16 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1k90 n ALA 335 Cb 0.20 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 1k90 n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1k90 h THR 336 N 0.00 0.01 0.00 0.00 2.02 -1.50 0.46 112.91 113.90 1k90 h THR 336 Ca -0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1k90 h THR 336 Cb 1.70 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1k90 h THR 336 CO 0.03 0.00 -0.02 0.78 0.37 0.00 0.00 175.52 176.68 1k90 h ASN 337 N -0.16 0.00 0.11 4.18 2.35 -1.80 0.17 115.58 120.43 1k90 h ASN 337 Ca 0.14 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.59 1k90 h ASN 337 Cb 0.50 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.90 1k90 h ASN 337 CO -0.80 0.02 -1.23 -0.07 -1.65 0.00 0.00 177.43 173.70 1k90 h LEU 338 N 0.00 0.89 0.08 1.61 3.38 -0.46 -2.04 115.31 118.77 1k90 h LEU 338 Ca -0.00 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 1k90 h LEU 338 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1k90 h LEU 338 CO 0.00 1.61 -0.04 0.40 0.09 0.00 0.00 178.44 180.51 1k90 h ILE 339 N 0.28 1.09 -0.56 1.22 2.04 0.41 0.20 117.51 122.19 1k90 h ILE 339 Ca -0.19 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.16 1k90 h ILE 339 Cb 1.90 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 39.38 1k90 h ILE 339 CO 0.24 0.15 0.10 0.50 0.00 0.00 0.00 178.15 179.14 1k90 h LYS 340 N -0.39 0.23 0.00 2.37 3.64 -0.80 0.77 116.57 122.39 1k90 h LYS 340 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1k90 h LYS 340 Cb 0.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1k90 h LYS 340 CO 0.02 0.15 0.00 -1.13 -2.27 0.00 0.00 179.45 176.22 1k90 n SER 341 N -5.14 0.00 0.00 4.20 3.41 -0.77 -4.82 113.62 110.51 1k90 n SER 341 Ca 0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1k90 n SER 341 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1k90 n SER 341 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k90 n GLY 342 N -0.35 0.57 3.74 5.00 0.00 0.27 -4.91 105.19 109.51 1k90 n GLY 342 Ca 0.07 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1k90 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k90 s VAL 343 N -2.00 4.09 0.46 1.61 1.01 0.64 -3.63 120.40 122.58 1k90 s VAL 343 Ca 0.00 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 1k90 s VAL 343 Cb 0.00 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1k90 s VAL 343 CO 0.00 0.38 1.42 0.00 0.00 0.00 0.00 175.10 176.90 1k90 s ALA 344 N -0.61 3.20 0.30 5.51 0.00 -1.24 -4.61 121.76 124.31 1k90 s ALA 344 Ca 0.45 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.86 1k90 s ALA 344 Cb -0.27 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1k90 s ALA 344 CO 0.33 -1.20 0.49 0.95 0.00 0.00 0.00 175.76 176.33 1k90 s THR 345 N -1.21 5.15 0.07 0.00 -4.23 -1.26 -0.48 115.64 113.67 1k90 s THR 345 Ca 0.62 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1k90 s THR 345 Cb -0.43 -3.83 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 1k90 s THR 345 CO 0.55 -0.44 0.41 -1.59 -0.54 0.00 0.00 174.62 173.01 1k90 s LYS 346 N -4.05 3.80 0.40 3.99 -2.85 -0.83 -4.75 119.74 115.44 1k90 s LYS 346 Ca 0.39 0.23 0.05 0.00 -1.00 0.00 0.00 55.97 55.64 1k90 s LYS 346 Cb -0.10 -3.03 0.05 0.00 -2.06 0.00 0.00 37.83 32.69 1k90 s LYS 346 CO 0.33 0.58 0.44 0.41 0.10 0.00 0.00 175.35 177.21 1k90 n GLY 347 N 1.07 2.37 0.13 0.59 0.00 -1.26 -4.60 105.19 103.49 1k90 n GLY 347 Ca -0.09 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 43.78 1k90 n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k90 n LEU 348 N 0.00 0.41 0.00 0.99 4.77 -1.26 -0.94 117.00 120.97 1k90 n LEU 348 Ca 0.05 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.84 1k90 n LEU 348 Cb 0.44 -0.71 0.71 0.00 -2.33 0.00 0.00 43.42 41.52 1k90 n LEU 348 CO 0.27 -0.81 0.95 -0.46 -1.33 0.00 0.00 177.39 176.01 1k90 n ASN 349 N -2.06 0.00 -3.79 -1.43 2.04 -1.26 -4.40 115.26 104.35 1k90 n ASN 349 Ca -0.01 -0.35 -0.29 0.00 -0.44 0.00 0.00 54.58 53.49 1k90 n ASN 349 Cb 0.07 -0.19 -0.16 0.00 -2.53 0.00 0.00 39.78 36.98 1k90 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1k90 s VAL 350 N -2.37 0.94 -1.98 3.53 1.01 -0.12 -4.68 120.40 116.74 1k90 s VAL 350 Ca 0.30 -1.05 0.22 0.00 0.00 0.00 0.00 61.98 61.45 1k90 s VAL 350 Cb 0.18 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1k90 s VAL 350 CO 0.37 -0.35 1.07 1.41 0.00 0.00 0.00 175.10 177.60 1k90 n HIS 351 N 4.86 0.00 -1.54 5.22 8.25 -1.26 -4.65 115.22 126.10 1k90 n HIS 351 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1k90 n HIS 351 Cb 0.44 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.57 1k90 n HIS 351 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k90 n GLY 352 N 1.41 -0.78 3.84 -1.41 0.00 -1.26 -4.93 105.19 102.07 1k90 n GLY 352 Ca 0.09 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1k90 n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k90 s LYS 353 N -1.95 4.08 0.56 1.61 -0.14 -1.26 -5.01 119.74 117.63 1k90 s LYS 353 Ca 0.65 0.73 -0.15 0.00 -1.36 0.00 0.00 55.97 55.84 1k90 s LYS 353 Cb -0.55 -2.55 -0.06 0.00 -1.68 0.00 0.00 37.83 32.99 1k90 s LYS 353 CO 0.56 0.22 1.01 -1.54 -0.76 0.00 0.00 175.35 174.84 1k90 s SER 354 N -2.10 6.33 0.19 2.83 1.04 -1.26 -4.30 113.70 116.44 1k90 s SER 354 Ca 0.51 1.60 -0.03 0.00 0.48 0.00 0.00 55.95 58.51 1k90 s SER 354 Cb -0.12 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 1k90 s SER 354 CO 0.18 -0.79 0.41 -0.55 0.98 0.00 0.00 173.24 173.47 1k90 s SER 355 N -3.24 6.44 -0.05 7.02 0.15 0.21 -1.90 113.70 122.32 1k90 s SER 355 Ca 0.59 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.84 1k90 s SER 355 Cb -0.11 -2.06 0.12 0.00 -1.71 0.00 0.00 66.02 62.25 1k90 s SER 355 CO 0.37 -0.03 1.06 -0.90 1.20 0.00 0.00 173.24 174.94 1k90 n ASP 356 N -0.41 0.94 -3.69 5.45 3.85 -1.26 0.72 116.55 122.14 1k90 n ASP 356 Ca -0.03 -2.44 -0.10 0.00 -0.71 0.00 0.00 54.79 51.51 1k90 n ASP 356 Cb 0.53 -0.29 -0.04 0.00 -1.35 0.00 0.00 41.12 39.97 1k90 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1k90 s TRP 357 N -1.14 -0.16 0.17 2.11 1.48 -1.26 -4.92 118.94 115.21 1k90 s TRP 357 Ca 0.13 -0.17 0.00 0.00 -1.06 0.00 0.00 56.10 55.00 1k90 s TRP 357 Cb 0.11 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.80 1k90 s TRP 357 CO 0.01 -0.87 0.00 0.41 -4.06 0.00 0.00 176.95 172.44 1k90 n GLY 358 N -0.32 -1.73 0.34 3.67 0.00 -1.26 -2.89 105.19 103.00 1k90 n GLY 358 Ca -0.12 -1.36 0.18 0.00 0.00 0.00 0.00 46.02 44.72 1k90 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k90 h PRO 359 N -0.60 0.00 -0.15 1.61 0.13 -1.95 -1.07 132.00 129.97 1k90 h PRO 359 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1k90 h PRO 359 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1k90 h PRO 359 CO 0.01 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.33 1k90 n VAL 360 N -3.62 0.19 -1.48 1.56 3.14 -1.26 -4.97 118.33 111.89 1k90 n VAL 360 Ca 0.01 -0.35 -0.51 0.00 -2.96 0.00 0.00 64.34 60.53 1k90 n VAL 360 Cb 0.31 0.43 -0.04 0.00 -1.06 0.00 0.00 33.84 33.48 1k90 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k90 n ALA 361 N 0.37 -2.41 0.00 1.55 0.00 -0.41 -0.85 120.51 118.76 1k90 n ALA 361 Ca 0.17 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1k90 n ALA 361 Cb 0.35 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1k90 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k90 n GLY 362 N 1.81 3.16 4.01 0.00 0.00 0.22 -4.85 105.19 109.54 1k90 n GLY 362 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1k90 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k90 s TYR 363 N -1.78 1.92 -0.60 1.61 1.51 -0.03 -3.92 117.35 116.06 1k90 s TYR 363 Ca 0.00 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1k90 s TYR 363 Cb 0.00 -2.50 0.15 0.00 -0.11 0.00 0.00 41.96 39.50 1k90 s TYR 363 CO 0.00 -1.11 0.46 0.42 -1.11 0.00 0.00 175.55 174.22 1k90 s ILE 364 N -2.73 4.33 0.12 2.71 -1.09 -1.22 -0.62 121.20 122.69 1k90 s ILE 364 Ca 0.61 -2.32 -0.31 0.00 -2.23 0.00 0.00 60.65 56.40 1k90 s ILE 364 Cb -0.07 -3.80 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1k90 s ILE 364 CO 0.39 -0.86 1.29 -2.16 -1.23 0.00 0.00 174.94 172.37 1k90 s PRO 365 N 0.64 4.39 0.10 2.79 0.04 -1.26 0.35 135.00 142.05 1k90 s PRO 365 Ca 0.12 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1k90 s PRO 365 Cb -0.21 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 30.95 1k90 s PRO 365 CO -0.03 -0.31 1.61 0.35 0.04 0.00 0.00 177.00 178.66 1k90 h PHE 366 N 6.37 -0.93 -1.75 0.56 3.57 -0.98 -3.26 116.94 120.51 1k90 h PHE 366 Ca -0.43 0.01 -0.48 0.00 3.53 0.00 0.00 57.97 60.60 1k90 h PHE 366 Cb 1.21 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 1k90 h PHE 366 CO 0.65 -0.47 1.18 0.34 -2.23 0.00 0.00 178.31 177.78 1k90 s ASP 367 N -4.67 5.63 0.00 0.41 3.68 -1.26 -4.58 116.67 115.87 1k90 s ASP 367 Ca -0.16 -0.27 0.02 0.00 2.13 0.00 0.00 52.55 54.27 1k90 s ASP 367 Cb 0.07 -2.55 0.12 0.00 -1.45 0.00 0.00 42.92 39.11 1k90 s ASP 367 CO 0.64 -2.20 0.83 0.00 0.13 0.00 0.00 175.17 174.57 1k90 n GLN 368 N 9.15 0.04 0.12 4.34 1.13 -1.23 -1.19 117.38 129.73 1k90 n GLN 368 Ca 0.21 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.61 1k90 n GLN 368 Cb 0.50 -1.50 0.46 0.00 0.11 0.00 0.00 30.24 29.81 1k90 n GLN 368 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1k90 n ASP 369 N -1.23 0.71 -0.21 1.08 2.03 -1.26 -1.03 116.55 116.64 1k90 n ASP 369 Ca 0.01 0.62 0.12 0.00 0.52 0.00 0.00 54.79 56.07 1k90 n ASP 369 Cb 0.02 -0.79 0.26 0.00 -0.72 0.00 0.00 41.12 39.88 1k90 n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k90 n LEU 370 N -2.23 1.05 0.00 -2.67 4.77 -0.33 -3.95 117.00 113.63 1k90 n LEU 370 Ca 0.04 -0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 55.64 1k90 n LEU 370 Cb 0.31 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1k90 n LEU 370 CO 0.24 0.21 0.18 -1.54 -1.33 0.00 0.00 177.39 175.15 1k90 n SER 371 N -0.81 -1.28 -0.00 -1.43 3.41 -0.20 -4.67 113.62 108.63 1k90 n SER 371 Ca 0.10 -0.70 0.15 0.00 -0.26 0.00 0.00 58.87 58.15 1k90 n SER 371 Cb 0.36 -0.29 0.80 0.00 -0.26 0.00 0.00 64.21 64.82 1k90 n SER 371 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1k90 n LYS 372 N -2.45 0.55 -0.12 4.33 2.85 -0.80 -2.53 118.16 119.98 1k90 n LYS 372 Ca 0.04 -0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.38 1k90 n LYS 372 Cb 0.17 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.33 1k90 n LYS 372 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1k90 n LYS 373 N -1.22 1.74 -1.42 -1.58 4.76 -1.26 -4.96 118.16 114.21 1k90 n LYS 373 Ca 0.16 -1.12 -0.50 0.00 -2.87 0.00 0.00 58.31 53.98 1k90 n LYS 373 Cb 0.22 -1.33 -0.04 0.00 -1.84 0.00 0.00 35.03 32.04 1k90 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1k90 n HIS 374 N 0.37 -0.26 0.00 2.13 -0.00 -1.05 -1.58 115.22 114.84 1k90 n HIS 374 Ca 0.14 0.98 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1k90 n HIS 374 Cb 0.30 -1.99 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 1k90 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1k90 n GLY 375 N 1.91 2.09 3.55 1.57 0.00 -1.26 -4.97 105.19 108.08 1k90 n GLY 375 Ca 0.18 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1k90 n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k90 s GLN 376 N 0.00 2.67 0.32 1.61 -0.21 -0.61 -4.86 119.66 118.57 1k90 s GLN 376 Ca 0.00 0.35 0.09 0.00 0.02 0.00 0.00 55.36 55.82 1k90 s GLN 376 Cb 0.00 -4.51 0.84 0.00 1.00 0.00 0.00 33.01 30.33 1k90 s GLN 376 CO 0.00 -2.80 1.75 0.37 -2.12 0.00 0.00 175.29 172.49 1k90 h GLN 377 N 13.85 0.63 0.08 2.91 -0.00 -1.90 0.41 115.11 131.09 1k90 h GLN 377 Ca -0.19 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.30 1k90 h GLN 377 Cb 1.12 -0.14 0.01 0.00 0.00 0.00 0.00 27.48 28.47 1k90 h GLN 377 CO 1.23 0.42 -0.53 1.25 0.00 0.00 0.00 178.83 181.19 1k90 h LEU 378 N 0.65 0.32 0.41 -2.39 5.85 -1.96 -3.03 115.31 115.16 1k90 h LEU 378 Ca 0.62 -0.94 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1k90 h LEU 378 Cb 1.10 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1k90 h LEU 378 CO -0.43 1.24 -0.41 0.00 -0.34 0.00 0.00 178.44 178.51 1k90 h ALA 379 N 0.09 -0.89 -1.03 1.25 0.00 -1.79 -0.56 119.26 116.33 1k90 h ALA 379 Ca -0.09 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 54.95 1k90 h ALA 379 Cb 1.39 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1k90 h ALA 379 CO 0.10 -1.04 0.70 0.28 0.00 0.00 0.00 179.25 179.30 1k90 h VAL 380 N -0.83 0.52 0.50 0.00 2.07 -1.07 0.41 116.25 117.84 1k90 h VAL 380 Ca -0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1k90 h VAL 380 Cb 0.74 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1k90 h VAL 380 CO -0.06 0.04 -0.24 -0.08 0.02 0.00 0.00 177.57 177.24 1k90 h GLU 381 N 0.20 -0.65 -0.47 1.57 4.57 -1.10 -0.61 114.58 118.09 1k90 h GLU 381 Ca 0.53 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.89 1k90 h GLU 381 Cb 1.72 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 30.43 1k90 h GLU 381 CO -0.14 -0.39 0.41 -0.22 -1.18 0.00 0.00 179.01 177.50 1k90 h LYS 382 N -1.13 0.00 0.44 1.92 1.63 0.22 -1.08 116.57 118.57 1k90 h LYS 382 Ca -0.07 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1k90 h LYS 382 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1k90 h LYS 382 CO 0.11 0.00 -0.21 0.78 -3.45 0.00 0.00 179.45 176.68 1k90 h GLY 383 N 0.00 -0.61 0.43 5.01 0.00 0.04 -2.09 103.07 105.84 1k90 h GLY 383 Ca 0.22 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.87 1k90 h GLY 383 CO -0.00 -0.22 0.25 3.43 0.00 0.00 0.00 176.54 179.99 1k90 h ASN 384 N -0.83 0.27 -0.43 0.19 2.35 -0.31 0.59 115.58 117.41 1k90 h ASN 384 Ca -0.06 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1k90 h ASN 384 Cb 0.45 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1k90 h ASN 384 CO 0.10 0.16 0.25 0.25 -1.65 0.00 0.00 177.43 176.54 1k90 h LEU 385 N 0.44 0.54 -0.20 1.61 7.12 -1.31 0.23 115.31 123.74 1k90 h LEU 385 Ca 0.31 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.18 1k90 h LEU 385 Cb 0.36 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1k90 h LEU 385 CO -0.29 0.44 -0.27 -0.08 -0.13 0.00 0.00 178.44 178.11 1k90 h GLU 386 N 0.62 0.53 -0.33 1.25 4.57 -0.28 -2.04 114.58 118.90 1k90 h GLU 386 Ca 0.16 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1k90 h GLU 386 Cb 0.01 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1k90 h GLU 386 CO -0.03 0.90 0.14 -0.91 -1.18 0.00 0.00 179.01 177.94 1k90 h ASN 387 N 0.20 0.41 -0.11 1.04 2.35 -0.07 -1.81 115.58 117.58 1k90 h ASN 387 Ca 0.02 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1k90 h ASN 387 Cb 0.84 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1k90 h ASN 387 CO 0.06 0.36 -0.49 0.11 -1.65 0.00 0.00 177.43 175.82 1k90 h LYS 388 N 0.46 0.68 -0.21 0.81 1.57 -0.37 -2.59 116.57 116.92 1k90 h LYS 388 Ca 0.12 -0.40 -0.13 0.00 -1.87 0.00 0.00 60.65 58.36 1k90 h LYS 388 Cb 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1k90 h LYS 388 CO -0.01 1.02 -0.42 0.87 -0.57 0.00 0.00 179.45 180.33 1k90 h LYS 389 N 0.54 0.50 -0.71 3.15 1.57 -0.94 -2.24 116.57 118.43 1k90 h LYS 389 Ca 0.02 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1k90 h LYS 389 Cb 1.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1k90 h LYS 389 CO 0.10 0.83 0.38 0.77 -0.57 0.00 0.00 179.45 180.96 1k90 h SER 390 N 0.41 0.88 0.38 0.86 0.02 -1.17 0.81 113.55 115.74 1k90 h SER 390 Ca 0.03 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.73 1k90 h SER 390 Cb 0.91 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1k90 h SER 390 CO 0.08 0.72 -0.72 0.40 -1.14 0.00 0.00 176.83 176.17 1k90 h ILE 391 N 0.99 1.41 0.00 3.27 1.08 -1.28 -3.19 117.51 119.80 1k90 h ILE 391 Ca 0.25 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1k90 h ILE 391 Cb 0.04 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1k90 h ILE 391 CO -0.04 0.65 -0.60 0.35 -0.69 0.00 0.00 178.15 177.82 1k90 n THR 392 N -3.80 1.31 -0.34 -0.27 -2.24 -0.86 -3.51 114.28 104.57 1k90 n THR 392 Ca -0.03 0.22 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 1k90 n THR 392 Cb 0.70 -2.30 0.19 0.00 -2.10 0.00 0.00 70.33 66.82 1k90 n THR 392 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k90 h GLU 393 N -0.91 0.98 -0.83 -0.78 5.08 0.42 -1.74 114.58 116.80 1k90 h GLU 393 Ca 0.00 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.72 1k90 h GLU 393 Cb 0.60 -0.22 -0.34 0.00 0.50 0.00 0.00 28.75 29.29 1k90 h GLU 393 CO 0.00 0.65 -0.01 0.72 -1.00 0.00 0.00 179.01 179.37 1k90 n HIS 394 N -4.61 2.84 -1.59 4.33 8.25 -1.20 -5.05 115.22 118.19 1k90 n HIS 394 Ca 0.16 -2.52 -0.43 0.00 -0.26 0.00 0.00 57.72 54.67 1k90 n HIS 394 Cb 0.27 -0.84 -0.01 0.00 1.12 0.00 0.00 29.99 30.53 1k90 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1k90 n GLU 395 N -0.84 1.31 0.00 -0.41 2.13 -0.66 -1.43 120.64 120.74 1k90 n GLU 395 Ca 0.52 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1k90 n GLU 395 Cb 0.85 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1k90 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k90 n GLY 396 N 1.24 2.30 0.10 8.31 0.00 -1.26 -4.68 105.19 111.20 1k90 n GLY 396 Ca 0.10 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1k90 n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k90 h GLU 397 N 0.00 0.10 -4.70 1.61 4.57 -1.61 -3.40 114.58 111.15 1k90 h GLU 397 Ca 0.00 -0.17 -0.44 0.00 -1.18 0.00 0.00 59.36 57.58 1k90 h GLU 397 Cb 0.00 0.06 -0.30 0.00 -0.16 0.00 0.00 28.75 28.35 1k90 h GLU 397 CO 0.00 0.76 -0.79 0.42 -1.18 0.00 0.00 179.01 178.22 1k90 s ILE 398 N -2.59 0.84 0.00 2.32 -1.09 -0.87 -0.64 121.20 119.16 1k90 s ILE 398 Ca -0.10 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1k90 s ILE 398 Cb 0.08 -0.74 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 1k90 s ILE 398 CO 0.81 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 175.39 1k90 n GLY 399 N 3.20 4.45 2.84 6.18 0.00 0.26 -4.39 105.19 117.73 1k90 n GLY 399 Ca -0.17 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 1k90 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s LYS 400 N 0.86 0.00 0.27 1.61 -2.85 -1.26 -0.95 119.74 117.42 1k90 s LYS 400 Ca 0.00 0.16 0.06 0.00 -1.00 0.00 0.00 55.97 55.19 1k90 s LYS 400 Cb 0.00 -0.14 -0.06 0.00 -2.06 0.00 0.00 37.83 35.57 1k90 s LYS 400 CO 0.00 -0.11 -0.05 0.96 0.10 0.00 0.00 175.35 176.25 1k90 s ILE 401 N 0.70 1.52 0.48 3.79 -4.36 -0.56 -4.91 121.20 117.86 1k90 s ILE 401 Ca -0.06 -2.11 -0.21 0.00 -0.26 0.00 0.00 60.65 58.02 1k90 s ILE 401 Cb -0.08 -2.41 -0.08 0.00 1.25 0.00 0.00 42.46 41.14 1k90 s ILE 401 CO -0.02 -0.32 1.08 -2.84 0.24 0.00 0.00 174.94 173.08 1k90 s PRO 402 N -3.75 3.77 0.13 0.37 0.02 -1.26 -0.40 135.00 133.88 1k90 s PRO 402 Ca 0.29 1.50 -0.29 0.00 0.02 0.00 0.00 61.00 62.53 1k90 s PRO 402 Cb 0.04 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.29 1k90 s PRO 402 CO 0.11 -0.48 0.90 -1.17 -0.33 0.00 0.00 177.00 176.03 1k90 s LEU 403 N -3.32 4.53 -0.09 -5.54 2.96 -0.01 -4.78 118.68 112.42 1k90 s LEU 403 Ca 0.66 1.74 0.01 0.00 -0.22 0.00 0.00 54.13 56.32 1k90 s LEU 403 Cb -0.21 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1k90 s LEU 403 CO 0.25 0.02 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.65 1k90 s LYS 404 N -0.33 1.66 -0.41 1.98 1.02 -1.26 -0.99 119.74 121.41 1k90 s LYS 404 Ca 0.43 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 55.98 1k90 s LYS 404 Cb -0.23 -1.54 0.07 0.00 -0.52 0.00 0.00 37.83 35.60 1k90 s LYS 404 CO 0.29 -0.14 0.24 -0.51 -0.92 0.00 0.00 175.35 174.31 1k90 s LEU 405 N 1.23 5.04 1.21 3.17 1.43 -1.02 -5.01 118.68 124.72 1k90 s LEU 405 Ca -0.04 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 1k90 s LEU 405 Cb -0.14 -1.99 0.29 0.00 0.03 0.00 0.00 46.19 44.38 1k90 s LEU 405 CO -0.03 -0.50 1.03 1.51 0.23 0.00 0.00 176.35 178.59 1k90 s ASP 406 N 1.98 0.74 0.18 2.29 1.47 -1.26 -4.70 116.67 117.38 1k90 s ASP 406 Ca 0.03 1.12 -0.14 0.00 1.18 0.00 0.00 52.55 54.74 1k90 s ASP 406 Cb -0.22 -1.71 0.17 0.00 -0.34 0.00 0.00 42.92 40.82 1k90 s ASP 406 CO 0.03 -4.29 1.71 0.45 0.68 0.00 0.00 175.17 173.75 1k90 h HIS 407 N -2.69 0.08 0.14 2.11 3.86 -2.00 -2.46 115.15 114.19 1k90 h HIS 407 Ca -0.54 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.70 1k90 h HIS 407 Cb 1.33 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1k90 h HIS 407 CO -0.95 -0.04 -0.07 -0.07 0.86 0.00 0.00 177.93 177.66 1k90 h LEU 408 N 0.18 -0.15 -0.31 2.43 3.38 -2.00 -3.06 115.31 115.78 1k90 h LEU 408 Ca 0.23 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1k90 h LEU 408 Cb 0.33 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1k90 h LEU 408 CO -0.34 0.13 -0.27 -0.09 0.09 0.00 0.00 178.44 177.96 1k90 h ARG 409 N -0.44 -0.23 -0.99 1.13 9.65 -1.88 0.33 114.38 121.94 1k90 h ARG 409 Ca -0.02 0.02 0.26 0.00 -1.10 0.00 0.00 59.98 59.13 1k90 h ARG 409 Cb 0.35 0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.92 1k90 h ARG 409 CO 0.03 -0.16 0.67 0.82 2.80 0.00 0.00 179.97 184.13 1k90 h ILE 410 N -0.24 0.56 -0.04 1.20 1.08 -1.47 0.22 117.51 118.82 1k90 h ILE 410 Ca 0.15 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1k90 h ILE 410 Cb 0.49 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1k90 h ILE 410 CO -0.44 0.05 -0.03 -0.08 -0.69 0.00 0.00 178.15 176.95 1k90 h GLU 411 N 0.26 0.09 -0.84 2.37 4.81 -0.32 -2.34 114.58 118.60 1k90 h GLU 411 Ca 0.52 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.81 1k90 h GLU 411 Cb 1.55 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 1k90 h GLU 411 CO -0.16 0.54 0.55 0.93 -0.73 0.00 0.00 179.01 180.14 1k90 h GLU 412 N -0.36 0.75 -0.20 1.92 5.08 0.99 -1.32 114.58 121.43 1k90 h GLU 412 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1k90 h GLU 412 Cb 0.52 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1k90 h GLU 412 CO 0.01 0.49 -0.41 -0.07 -1.00 0.00 0.00 179.01 178.04 1k90 h LEU 413 N 0.77 0.48 -0.19 1.33 3.38 -0.97 -0.23 115.31 119.88 1k90 h LEU 413 Ca 0.40 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1k90 h LEU 413 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1k90 h LEU 413 CO -0.16 0.84 -0.02 0.50 0.09 0.00 0.00 178.44 179.69 1k90 h LYS 414 N 0.38 0.36 -0.01 1.13 3.64 -0.70 0.34 116.57 121.71 1k90 h LYS 414 Ca 0.03 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1k90 h LYS 414 Cb 0.88 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1k90 h LYS 414 CO 0.07 0.58 0.01 0.93 -2.27 0.00 0.00 179.45 178.77 1k90 h GLU 415 N 0.10 0.02 0.00 1.90 4.39 -1.29 0.57 114.58 120.26 1k90 h GLU 415 Ca 0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1k90 h GLU 415 Cb 0.43 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1k90 h GLU 415 CO 0.01 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 1k90 n ASN 416 N -5.06 0.11 -2.86 1.42 3.02 -0.11 -4.83 115.26 106.96 1k90 n ASN 416 Ca -0.07 0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 54.89 1k90 n ASN 416 Cb 0.05 -0.56 0.07 0.00 -0.61 0.00 0.00 39.78 38.72 1k90 n ASN 416 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k90 n GLY 417 N -1.26 -0.18 0.28 7.41 0.00 0.19 -4.96 105.19 106.67 1k90 n GLY 417 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1k90 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k90 n ILE 418 N -3.66 1.32 -4.16 -0.61 2.08 0.11 -5.02 119.36 109.41 1k90 n ILE 418 Ca -0.16 -0.19 -0.14 0.00 0.56 0.00 0.00 62.75 62.82 1k90 n ILE 418 Cb 0.61 -1.92 -0.11 0.00 -0.75 0.00 0.00 39.64 37.47 1k90 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1k90 s ILE 419 N -2.51 0.86 -0.14 1.39 -4.36 -1.22 -4.49 121.20 110.74 1k90 s ILE 419 Ca -0.30 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 1k90 s ILE 419 Cb 0.10 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.47 1k90 s ILE 419 CO 0.39 -0.60 -0.19 -0.76 0.24 0.00 0.00 174.94 174.02 1k90 s LEU 420 N -2.48 1.97 -0.31 0.37 1.43 0.39 -3.88 118.68 116.16 1k90 s LEU 420 Ca 0.05 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 1k90 s LEU 420 Cb -0.02 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1k90 s LEU 420 CO -0.01 0.04 2.06 -0.75 0.23 0.00 0.00 176.35 177.92 1k90 s LYS 421 N 0.97 3.07 0.00 1.70 2.47 -1.26 -1.04 119.74 125.65 1k90 s LYS 421 Ca -0.05 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 56.02 1k90 s LYS 421 Cb -0.15 -4.33 0.00 0.00 -1.46 0.00 0.00 37.83 31.89 1k90 s LYS 421 CO -0.04 -2.17 0.00 0.41 0.16 0.00 0.00 175.35 173.71 1k90 n GLY 422 N 5.66 0.92 3.96 5.54 0.00 0.56 -4.95 105.19 116.87 1k90 n GLY 422 Ca 0.27 -1.49 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1k90 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s LYS 423 N 0.05 1.83 0.07 1.61 -2.85 -1.26 -4.52 119.74 114.66 1k90 s LYS 423 Ca 0.00 -0.69 -0.26 0.00 -1.00 0.00 0.00 55.97 54.02 1k90 s LYS 423 Cb 0.00 -2.24 -0.06 0.00 -2.06 0.00 0.00 37.83 33.48 1k90 s LYS 423 CO 0.00 -1.40 0.79 0.21 0.10 0.00 0.00 175.35 175.05 1k90 s LYS 424 N -5.22 4.53 0.02 1.78 2.20 -1.26 -1.01 119.74 120.77 1k90 s LYS 424 Ca 0.64 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 57.41 1k90 s LYS 424 Cb -0.08 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1k90 s LYS 424 CO 0.45 0.31 -0.10 -2.00 -0.36 0.00 0.00 175.35 173.64 1k90 s GLU 425 N -0.18 0.74 -0.14 4.03 2.12 0.20 -4.96 118.70 120.52 1k90 s GLU 425 Ca 0.39 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1k90 s GLU 425 Cb -0.21 -0.69 0.01 0.00 0.26 0.00 0.00 34.13 33.50 1k90 s GLU 425 CO 0.24 0.18 -0.22 0.42 -0.54 0.00 0.00 175.26 175.34 1k90 s ILE 426 N -0.60 2.02 -0.09 -3.70 1.01 -1.26 -0.31 121.20 118.27 1k90 s ILE 426 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1k90 s ILE 426 Cb -0.06 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1k90 s ILE 426 CO 0.00 0.54 -0.08 -0.62 0.00 0.00 0.00 174.94 174.79 1k90 s ASP 427 N 0.83 1.90 -1.16 3.58 3.68 -0.15 -4.86 116.67 120.48 1k90 s ASP 427 Ca -0.07 -0.27 -0.12 0.00 2.13 0.00 0.00 52.55 54.23 1k90 s ASP 427 Cb -0.15 -0.76 0.02 0.00 -1.45 0.00 0.00 42.92 40.57 1k90 s ASP 427 CO -0.02 -0.08 0.22 -3.20 0.13 0.00 0.00 175.17 172.23 1k90 n ASN 428 N 4.57 -0.88 0.00 -0.34 2.85 -1.26 -1.28 115.26 118.93 1k90 n ASN 428 Ca -0.16 -1.06 0.00 0.00 -0.11 0.00 0.00 54.58 53.25 1k90 n ASN 428 Cb 0.51 -1.30 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1k90 n ASN 428 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k90 n GLY 429 N -2.14 2.47 3.78 8.20 0.00 -1.26 -5.02 105.19 111.22 1k90 n GLY 429 Ca -0.20 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1k90 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k90 s LYS 430 N 0.00 3.08 -0.18 1.61 -0.14 -0.41 -5.05 119.74 118.66 1k90 s LYS 430 Ca 0.00 1.35 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 1k90 s LYS 430 Cb 0.00 -1.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1k90 s LYS 430 CO 0.00 -1.02 -0.16 0.21 -0.76 0.00 0.00 175.35 173.62 1k90 s LYS 431 N -3.96 3.11 0.21 1.68 2.36 -1.26 -0.98 119.74 120.90 1k90 s LYS 431 Ca 0.66 -0.78 0.10 0.00 -2.55 0.00 0.00 55.97 53.40 1k90 s LYS 431 Cb -0.19 -2.65 -0.05 0.00 -1.05 0.00 0.00 37.83 33.89 1k90 s LYS 431 CO 0.37 -0.14 -0.18 0.71 1.55 0.00 0.00 175.35 177.66 1k90 s TYR 432 N 1.18 1.97 -0.10 4.03 1.51 0.58 -2.03 117.35 124.49 1k90 s TYR 432 Ca 0.02 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1k90 s TYR 432 Cb -0.14 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1k90 s TYR 432 CO -0.07 0.47 -0.08 0.71 -1.11 0.00 0.00 175.55 175.47 1k90 s TYR 433 N -2.40 2.91 0.50 2.71 1.51 -0.23 0.62 117.35 122.97 1k90 s TYR 433 Ca 0.22 -0.20 -0.20 0.00 -1.01 0.00 0.00 57.07 55.87 1k90 s TYR 433 Cb -0.04 -1.79 -0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1k90 s TYR 433 CO 0.09 0.12 1.08 -0.51 -1.11 0.00 0.00 175.55 175.22 1k90 s LEU 434 N -0.27 3.85 -0.28 -1.29 2.01 -0.18 -0.08 118.68 122.43 1k90 s LEU 434 Ca 0.03 2.05 0.03 0.00 0.01 0.00 0.00 54.13 56.26 1k90 s LEU 434 Cb -0.13 -4.51 0.07 0.00 0.01 0.00 0.00 46.19 41.63 1k90 s LEU 434 CO 0.03 -0.92 -0.05 -0.76 1.01 0.00 0.00 176.35 175.66 1k90 s LEU 435 N -3.49 3.71 0.22 1.79 1.43 -0.69 0.21 118.68 121.86 1k90 s LEU 435 Ca 0.68 -1.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 1k90 s LEU 435 Cb -0.20 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1k90 s LEU 435 CO 0.24 -0.26 0.68 -1.61 0.23 0.00 0.00 176.35 175.63 1k90 s GLU 436 N 1.09 4.13 -0.16 1.70 0.41 -0.20 -3.77 118.70 121.91 1k90 s GLU 436 Ca -0.02 0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 55.08 1k90 s GLU 436 Cb -0.19 -2.81 0.05 0.00 -1.78 0.00 0.00 34.13 29.40 1k90 s GLU 436 CO -0.07 0.37 0.52 -1.54 -0.49 0.00 0.00 175.26 174.06 1k90 s SER 437 N -1.79 -0.52 0.00 -0.19 1.04 -1.26 -0.46 113.70 110.51 1k90 s SER 437 Ca 0.44 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1k90 s SER 437 Cb -0.15 0.92 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1k90 s SER 437 CO 0.20 -0.27 0.00 -0.46 0.98 0.00 0.00 173.24 173.69 1k90 n ASN 438 N 2.36 0.00 -4.76 7.02 6.94 -1.26 -4.74 115.26 120.82 1k90 n ASN 438 Ca -0.15 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.06 1k90 n ASN 438 Cb 0.56 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 38.00 1k90 n ASN 438 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1k90 s ASN 439 N -1.43 5.41 -0.14 0.53 3.84 -1.26 -4.96 114.94 116.94 1k90 s ASN 439 Ca 0.00 2.24 0.15 0.00 0.21 0.00 0.00 52.86 55.46 1k90 s ASN 439 Cb 0.00 -2.58 0.31 0.00 -0.55 0.00 0.00 41.25 38.43 1k90 s ASN 439 CO 0.00 -1.43 1.16 0.00 -2.79 0.00 0.00 177.10 174.04 1k90 n GLN 440 N -1.58 1.20 0.00 0.43 0.00 -1.26 -4.66 117.38 111.51 1k90 n GLN 440 Ca 0.12 -2.64 0.00 0.00 0.00 0.00 0.00 57.00 54.48 1k90 n GLN 440 Cb 0.51 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.38 1k90 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1k90 n VAL 441 N -1.10 0.00 -4.50 -0.39 0.31 -1.26 -4.92 118.33 106.46 1k90 n VAL 441 Ca 0.15 -0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 1k90 n VAL 441 Cb 0.69 0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.61 1k90 n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1k90 s TYR 442 N -0.33 1.20 0.03 3.52 1.51 -1.26 -1.89 117.35 120.13 1k90 s TYR 442 Ca 0.00 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1k90 s TYR 442 Cb 0.00 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1k90 s TYR 442 CO 0.00 0.00 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.40 1k90 s GLU 443 N -0.64 2.57 0.23 -0.62 2.12 0.81 -4.79 118.70 118.37 1k90 s GLU 443 Ca 0.04 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1k90 s GLU 443 Cb -0.06 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 1k90 s GLU 443 CO 0.00 0.59 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.19 1k90 s PHE 444 N -1.11 1.64 -0.01 5.30 0.40 -1.25 -1.50 117.98 121.46 1k90 s PHE 444 Ca 0.20 -0.78 -0.28 0.00 -0.60 0.00 0.00 56.93 55.46 1k90 s PHE 444 Cb -0.11 -0.90 0.10 0.00 0.51 0.00 0.00 43.02 42.61 1k90 s PHE 444 CO 0.11 0.13 0.84 -0.98 0.70 0.00 0.00 175.22 176.02 1k90 s ARG 445 N -3.77 0.88 0.04 0.44 1.70 -0.75 -1.70 118.95 115.79 1k90 s ARG 445 Ca 0.26 -0.18 0.07 0.00 -0.47 0.00 0.00 55.73 55.41 1k90 s ARG 445 Cb 0.04 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 1k90 s ARG 445 CO 0.08 -0.35 -0.19 -1.50 -1.08 0.00 0.00 175.30 172.26 1k90 s ILE 446 N -2.61 1.51 0.40 4.99 2.07 0.89 0.49 121.20 128.93 1k90 s ILE 446 Ca 0.01 -1.12 -0.23 0.00 -1.41 0.00 0.00 60.65 57.89 1k90 s ILE 446 Cb -0.01 -1.32 -0.10 0.00 0.13 0.00 0.00 42.46 41.17 1k90 s ILE 446 CO -0.05 0.16 1.00 -0.55 -1.91 0.00 0.00 174.94 173.59 1k90 s SER 447 N -1.13 6.90 -0.02 4.50 0.15 0.41 -1.06 113.70 123.45 1k90 s SER 447 Ca 0.06 1.90 0.11 0.00 0.70 0.00 0.00 55.95 58.71 1k90 s SER 447 Cb -0.08 -2.57 -0.23 0.00 -1.71 0.00 0.00 66.02 61.42 1k90 s SER 447 CO 0.02 -0.39 0.74 -0.78 1.20 0.00 0.00 173.24 174.03 1k90 h ASP 448 N 2.44 0.03 0.28 5.45 1.82 -1.76 -2.48 116.42 122.19 1k90 h ASP 448 Ca -0.48 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1k90 h ASP 448 Cb 1.20 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.21 1k90 h ASP 448 CO 0.62 1.05 -0.13 -0.08 -1.61 0.00 0.00 179.24 179.08 1k90 h GLU 449 N 0.00 -0.36 -0.00 0.28 4.81 -1.93 -3.39 114.58 114.00 1k90 h GLU 449 Ca -0.25 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1k90 h GLU 449 Cb 1.98 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1k90 h GLU 449 CO 0.09 -0.05 -0.00 0.27 -0.73 0.00 0.00 179.01 178.59 1k90 n ASN 450 N -5.12 0.78 -0.68 1.04 0.23 -1.26 -5.01 115.26 105.24 1k90 n ASN 450 Ca -0.09 -0.89 -0.09 0.00 -0.53 0.00 0.00 54.58 52.98 1k90 n ASN 450 Cb 0.25 0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 38.15 1k90 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1k90 n ASN 451 N -0.23 -3.95 -4.72 0.53 5.03 -0.93 -4.91 115.26 106.08 1k90 n ASN 451 Ca 0.00 0.19 -0.41 0.00 0.87 0.00 0.00 54.58 55.23 1k90 n ASN 451 Cb 0.00 -2.28 -0.04 0.00 -1.02 0.00 0.00 39.78 36.45 1k90 n ASN 451 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1k90 s GLU 452 N -2.85 4.56 -0.04 3.52 2.02 -1.26 -2.43 118.70 122.22 1k90 s GLU 452 Ca 0.00 1.62 -0.14 0.00 0.02 0.00 0.00 54.97 56.47 1k90 s GLU 452 Cb 0.00 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 1k90 s GLU 452 CO 0.00 -0.01 0.38 0.08 0.02 0.00 0.00 175.26 175.72 1k90 s VAL 453 N 0.41 5.12 0.31 2.63 1.01 -0.16 -0.44 120.40 129.27 1k90 s VAL 453 Ca 0.52 0.76 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1k90 s VAL 453 Cb -0.27 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1k90 s VAL 453 CO 0.31 0.54 -0.10 -1.10 0.00 0.00 0.00 175.10 174.75 1k90 s GLN 454 N -0.75 1.69 0.06 2.72 -0.21 0.18 -1.63 119.66 121.71 1k90 s GLN 454 Ca 0.22 -1.85 -0.15 0.00 0.02 0.00 0.00 55.36 53.61 1k90 s GLN 454 Cb -0.16 -1.51 0.03 0.00 1.00 0.00 0.00 33.01 32.37 1k90 s GLN 454 CO 0.11 0.14 0.34 1.52 -2.12 0.00 0.00 175.29 175.28 1k90 s TYR 455 N -2.74 -0.15 0.22 0.91 -0.00 -0.84 -1.81 117.35 112.94 1k90 s TYR 455 Ca 0.31 0.01 -0.16 0.00 -0.00 0.00 0.00 57.07 57.22 1k90 s TYR 455 Cb 0.02 0.14 0.02 0.00 -0.00 0.00 0.00 41.96 42.14 1k90 s TYR 455 CO 0.14 -0.55 0.52 -1.59 -0.00 0.00 0.00 175.55 174.08 1k90 s LYS 456 N -2.75 1.47 0.32 -3.49 -2.85 -0.56 -1.87 119.74 110.01 1k90 s LYS 456 Ca -0.04 -1.01 -0.27 0.00 -1.00 0.00 0.00 55.97 53.65 1k90 s LYS 456 Cb -0.00 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 1k90 s LYS 456 CO -0.04 -0.63 1.03 0.95 0.10 0.00 0.00 175.35 176.76 1k90 s THR 457 N -3.93 3.79 0.82 3.79 -4.23 -1.06 -0.13 115.64 114.69 1k90 s THR 457 Ca 0.14 1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 62.13 1k90 s THR 457 Cb -0.01 -3.93 0.09 0.00 1.34 0.00 0.00 72.50 69.98 1k90 s THR 457 CO 0.02 0.22 1.09 -0.54 -0.54 0.00 0.00 174.62 174.88 1k90 s LYS 458 N -1.87 1.84 0.14 3.99 1.02 -0.79 -4.71 119.74 119.36 1k90 s LYS 458 Ca 0.49 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.26 1k90 s LYS 458 Cb -0.25 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1k90 s LYS 458 CO 0.32 -1.91 1.37 -2.00 -0.92 0.00 0.00 175.35 172.20 1k90 s GLU 459 N -4.89 4.34 0.00 1.68 2.56 -1.26 -2.37 118.70 118.76 1k90 s GLU 459 Ca 0.62 2.07 0.00 0.00 0.00 0.00 0.00 54.97 57.67 1k90 s GLU 459 Cb -0.18 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 32.72 1k90 s GLU 459 CO 0.57 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 175.29 1k90 n GLY 460 N 3.16 2.97 3.88 -1.50 0.00 -1.26 -5.02 105.19 107.41 1k90 n GLY 460 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1k90 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k90 s LYS 461 N -0.22 3.61 0.11 1.61 3.01 -1.00 -5.10 119.74 121.76 1k90 s LYS 461 Ca 0.00 0.58 0.05 0.00 -1.01 0.00 0.00 55.97 55.59 1k90 s LYS 461 Cb 0.00 -2.19 -0.04 0.00 -1.01 0.00 0.00 37.83 34.60 1k90 s LYS 461 CO 0.00 -0.42 -0.12 -1.50 0.51 0.00 0.00 175.35 173.82 1k90 s ILE 462 N -2.98 1.15 0.15 2.17 1.10 -1.26 -4.71 121.20 116.81 1k90 s ILE 462 Ca 0.53 -1.71 -0.11 0.00 -0.51 0.00 0.00 60.65 58.85 1k90 s ILE 462 Cb -0.11 -1.48 -0.07 0.00 0.15 0.00 0.00 42.46 40.96 1k90 s ILE 462 CO 0.49 -0.50 0.50 -0.89 -2.11 0.00 0.00 174.94 172.42 1k90 s THR 463 N -2.36 4.97 0.48 4.00 2.01 0.67 -4.90 115.64 120.51 1k90 s THR 463 Ca 0.08 0.56 0.30 0.00 0.31 0.00 0.00 61.69 62.94 1k90 s THR 463 Cb -0.03 -3.67 0.49 0.00 0.01 0.00 0.00 72.50 69.30 1k90 s THR 463 CO 0.02 0.15 1.78 -0.37 -0.69 0.00 0.00 174.62 175.51 1k90 h VAL 464 N 2.53 0.43 0.00 3.82 -1.51 -1.89 3.30 116.25 122.93 1k90 h VAL 464 Ca -0.48 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1k90 h VAL 464 Cb 1.18 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1k90 h VAL 464 CO 0.67 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 177.22 1k90 n LEU 465 N -4.37 0.00 -0.11 4.19 4.77 -1.26 -4.85 117.00 115.37 1k90 n LEU 465 Ca 0.26 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1k90 n LEU 465 Cb 1.12 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1k90 n LEU 465 CO 0.34 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.00 1k90 n GLY 466 N 0.76 0.42 3.90 -0.72 0.00 1.10 -5.05 105.19 105.60 1k90 n GLY 466 Ca 0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 1k90 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k90 s GLU 467 N -2.84 2.91 -0.19 1.61 2.02 -1.18 -4.74 118.70 116.29 1k90 s GLU 467 Ca 0.00 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 1k90 s GLU 467 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 34.13 31.66 1k90 s GLU 467 CO 0.00 0.12 0.49 -1.59 0.02 0.00 0.00 175.26 174.31 1k90 s LYS 468 N -4.04 0.57 0.19 1.61 -2.85 -1.26 -0.24 119.74 113.72 1k90 s LYS 468 Ca 0.41 0.70 -0.23 0.00 -1.00 0.00 0.00 55.97 55.85 1k90 s LYS 468 Cb -0.07 0.27 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1k90 s LYS 468 CO 0.28 -0.07 0.78 -0.59 0.10 0.00 0.00 175.35 175.85 1k90 s PHE 469 N 0.33 -0.26 0.44 1.78 -0.12 -1.26 -5.02 117.98 113.87 1k90 s PHE 469 Ca -0.01 -0.07 0.07 0.00 -0.05 0.00 0.00 56.93 56.87 1k90 s PHE 469 Cb -0.04 0.64 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1k90 s PHE 469 CO -0.00 -0.97 0.61 1.21 -0.05 0.00 0.00 175.22 176.02 1k90 s ASN 470 N -2.84 5.59 -0.19 1.98 2.47 -1.26 -2.58 114.94 118.11 1k90 s ASN 470 Ca 0.09 -0.34 -0.18 0.00 0.42 0.00 0.00 52.86 52.85 1k90 s ASN 470 Cb -0.03 -0.71 -0.08 0.00 -1.45 0.00 0.00 41.25 38.99 1k90 s ASN 470 CO -0.00 -0.83 0.61 0.79 -3.72 0.00 0.00 177.10 173.95 1k90 n TRP 471 N -1.94 0.67 -3.75 0.43 7.02 -1.26 -4.76 117.44 113.85 1k90 n TRP 471 Ca 0.08 0.44 -0.12 0.00 -1.02 0.00 0.00 57.50 56.87 1k90 n TRP 471 Cb 0.59 -0.84 -0.11 0.00 -2.42 0.00 0.00 31.31 28.52 1k90 n TRP 471 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1k90 s ARG 472 N 1.14 0.34 0.33 -0.99 1.70 -0.78 -4.94 118.95 115.74 1k90 s ARG 472 Ca 0.40 0.50 -0.27 0.00 -0.47 0.00 0.00 55.73 55.89 1k90 s ARG 472 Cb -0.57 0.09 -0.13 0.00 -0.57 0.00 0.00 34.95 33.77 1k90 s ARG 472 CO 0.31 -0.08 1.05 0.09 -1.08 0.00 0.00 175.30 175.59 1k90 n ASN 473 N 3.36 1.51 -4.63 -2.89 3.02 -1.26 -1.98 115.26 112.39 1k90 n ASN 473 Ca -0.17 1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 55.12 1k90 n ASN 473 Cb 0.57 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.35 1k90 n ASN 473 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k90 s ILE 474 N -1.12 4.82 0.03 2.41 1.01 -0.64 -4.83 121.20 122.88 1k90 s ILE 474 Ca 0.59 1.33 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 1k90 s ILE 474 Cb -0.65 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 37.65 1k90 s ILE 474 CO 0.60 -0.17 0.40 -1.61 0.00 0.00 0.00 174.94 174.16 1k90 s GLU 475 N 2.89 3.84 0.16 2.79 2.02 -1.26 -0.83 118.70 128.30 1k90 s GLU 475 Ca 0.33 0.30 0.10 0.00 0.02 0.00 0.00 54.97 55.72 1k90 s GLU 475 Cb -0.15 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1k90 s GLU 475 CO 0.10 0.63 -0.22 0.14 0.02 0.00 0.00 175.26 175.93 1k90 s VAL 476 N -1.23 2.06 -0.18 2.63 -7.23 0.47 -0.33 120.40 116.60 1k90 s VAL 476 Ca 0.28 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 1k90 s VAL 476 Cb -0.15 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1k90 s VAL 476 CO 0.15 -0.12 1.21 -0.04 -0.31 0.00 0.00 175.10 175.99 1k90 s MET 477 N -2.44 4.24 0.24 4.82 1.00 0.16 -1.49 119.30 125.82 1k90 s MET 477 Ca 0.15 1.59 0.12 0.00 0.00 0.00 0.00 55.69 57.55 1k90 s MET 477 Cb -0.08 -3.73 -0.05 0.00 0.00 0.00 0.00 34.83 30.97 1k90 s MET 477 CO 0.07 -0.68 -0.21 0.00 0.00 0.00 0.00 175.02 174.20 1k90 s ALA 478 N 3.38 2.66 0.22 3.03 0.00 -0.12 -0.28 121.76 130.65 1k90 s ALA 478 Ca 0.52 -1.76 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1k90 s ALA 478 Cb -0.20 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1k90 s ALA 478 CO 0.13 0.35 0.11 -1.59 0.00 0.00 0.00 175.76 174.76 1k90 s LYS 479 N -3.11 2.70 -0.62 0.00 -2.85 0.87 -0.57 119.74 116.16 1k90 s LYS 479 Ca 0.26 -1.10 -0.22 0.00 -1.00 0.00 0.00 55.97 53.91 1k90 s LYS 479 Cb -0.06 -2.46 0.07 0.00 -2.06 0.00 0.00 37.83 33.32 1k90 s LYS 479 CO 0.13 0.42 0.89 1.21 0.10 0.00 0.00 175.35 178.10 1k90 s ASN 480 N -3.48 6.20 -0.38 0.03 3.04 0.18 -0.58 114.94 119.95 1k90 s ASN 480 Ca 0.31 -0.98 -0.09 0.00 0.04 0.00 0.00 52.86 52.14 1k90 s ASN 480 Cb -0.08 -2.39 0.05 0.00 -1.54 0.00 0.00 41.25 37.29 1k90 s ASN 480 CO 0.22 -1.32 0.20 -0.69 -3.04 0.00 0.00 177.10 172.48 1k90 s VAL 481 N 3.70 4.21 -1.29 -5.21 1.01 -0.07 -4.61 120.40 118.14 1k90 s VAL 481 Ca 0.21 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1k90 s VAL 481 Cb -0.18 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1k90 s VAL 481 CO 0.11 -0.33 0.68 -0.62 0.00 0.00 0.00 175.10 174.94 1k90 n GLU 482 N 4.91 -4.26 0.00 2.72 1.02 -1.26 -1.72 120.64 122.06 1k90 n GLU 482 Ca -0.11 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1k90 n GLU 482 Cb 0.44 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1k90 n GLU 482 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k90 n GLY 483 N -1.62 2.28 3.51 0.62 0.00 -1.26 -4.97 105.19 103.75 1k90 n GLY 483 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1k90 n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k90 s VAL 484 N -2.11 3.60 -0.22 1.61 1.01 -0.70 -5.08 120.40 118.51 1k90 s VAL 484 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 1k90 s VAL 484 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 1k90 s VAL 484 CO 0.00 0.55 1.17 -0.76 0.00 0.00 0.00 175.10 176.06 1k90 s LEU 485 N -0.22 4.09 -0.08 3.92 1.02 -1.26 -0.90 118.68 125.25 1k90 s LEU 485 Ca 0.03 1.46 0.03 0.00 0.02 0.00 0.00 54.13 55.67 1k90 s LEU 485 Cb -0.13 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.53 1k90 s LEU 485 CO 0.03 -0.77 -0.19 -0.54 0.02 0.00 0.00 176.35 174.90 1k90 s LYS 486 N 3.48 2.88 0.52 1.70 1.02 0.25 -4.89 119.74 124.70 1k90 s LYS 486 Ca 0.50 -0.78 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 1k90 s LYS 486 Cb -0.18 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1k90 s LYS 486 CO 0.12 0.36 1.13 -0.35 -0.92 0.00 0.00 175.35 175.69 1k90 n PRO 487 N 3.07 1.37 -4.04 -1.68 -0.04 -1.26 -0.09 135.00 132.33 1k90 n PRO 487 Ca -0.18 0.50 -0.25 0.00 -0.04 0.00 0.00 63.50 63.54 1k90 n PRO 487 Cb 0.52 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1k90 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k90 s LEU 488 N -2.07 4.01 0.00 1.53 1.43 0.61 -3.72 118.68 120.47 1k90 s LEU 488 Ca 0.70 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1k90 s LEU 488 Cb -0.46 -2.59 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 1k90 s LEU 488 CO 0.51 0.03 0.02 1.07 0.23 0.00 0.00 176.35 178.22 1k90 n THR 489 N -0.64 0.00 -2.57 5.49 5.66 0.37 -3.42 114.28 119.16 1k90 n THR 489 Ca -0.08 -0.17 -0.40 0.00 -3.05 0.00 0.00 64.05 60.35 1k90 n THR 489 Cb 0.55 0.09 -0.05 0.00 -1.55 0.00 0.00 70.33 69.37 1k90 n THR 489 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k90 s ALA 490 N -2.06 3.38 0.57 1.79 0.00 -1.25 -1.96 121.76 122.22 1k90 s ALA 490 Ca 0.03 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1k90 s ALA 490 Cb 0.00 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1k90 s ALA 490 CO 0.02 -0.04 0.38 -0.40 0.00 0.00 0.00 175.76 175.72 1k90 n ASP 491 N 1.45 0.44 -4.16 0.00 3.85 -1.26 -4.77 116.55 112.09 1k90 n ASP 491 Ca -0.01 -1.39 -0.39 0.00 -0.71 0.00 0.00 54.79 52.29 1k90 n ASP 491 Cb 0.46 -0.25 -0.07 0.00 -1.35 0.00 0.00 41.12 39.90 1k90 n ASP 491 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1k90 s TYR 492 N -1.12 3.55 -0.31 2.11 1.51 0.11 -4.88 117.35 118.33 1k90 s TYR 492 Ca 0.25 -2.55 -0.29 0.00 -1.01 0.00 0.00 57.07 53.46 1k90 s TYR 492 Cb -0.01 -3.38 0.01 0.00 -0.11 0.00 0.00 41.96 38.46 1k90 s TYR 492 CO 0.17 -0.87 1.25 -0.51 -1.11 0.00 0.00 175.55 174.47 1k90 s ASP 493 N 1.00 6.73 0.15 2.29 1.11 -1.26 -4.57 116.67 122.12 1k90 s ASP 493 Ca 0.18 1.15 -0.31 0.00 0.18 0.00 0.00 52.55 53.76 1k90 s ASP 493 Cb -0.16 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.21 1k90 s ASP 493 CO -0.06 -1.04 1.35 -0.76 1.18 0.00 0.00 175.17 175.85 1k90 s LEU 494 N 4.21 4.39 0.04 1.23 1.43 -1.26 -1.04 118.68 127.67 1k90 s LEU 494 Ca 0.54 2.36 -0.02 0.00 -1.03 0.00 0.00 54.13 55.97 1k90 s LEU 494 Cb -0.15 -3.60 -0.27 0.00 0.03 0.00 0.00 46.19 42.20 1k90 s LEU 494 CO 0.22 -0.60 1.00 0.15 0.23 0.00 0.00 176.35 177.35 1k90 h PHE 495 N 6.19 0.42 -1.02 0.29 3.04 0.40 0.96 116.94 127.22 1k90 h PHE 495 Ca -0.43 -0.31 0.38 0.00 3.98 0.00 0.00 57.97 61.58 1k90 h PHE 495 Cb 1.21 -0.02 -0.16 0.00 2.56 0.00 0.00 35.95 39.54 1k90 h PHE 495 CO 0.64 1.30 0.99 0.00 -2.02 0.00 0.00 178.31 179.22 1k90 s ALA 496 N -2.64 -2.41 -0.06 2.41 0.00 -1.02 -2.55 121.76 115.49 1k90 s ALA 496 Ca -0.06 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1k90 s ALA 496 Cb 0.07 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1k90 s ALA 496 CO 0.86 -0.89 0.03 -0.51 0.00 0.00 0.00 175.76 175.26 1k90 s LEU 497 N -2.67 0.37 -0.55 0.00 1.43 -1.26 -1.85 118.68 114.16 1k90 s LEU 497 Ca 0.14 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1k90 s LEU 497 Cb 0.05 -0.29 0.14 0.00 0.03 0.00 0.00 46.19 46.12 1k90 s LEU 497 CO -0.05 -0.23 0.36 0.00 0.23 0.00 0.00 176.35 176.66 1k90 s ALA 498 N 2.07 3.43 0.45 4.21 0.00 -0.32 -4.79 121.76 126.81 1k90 s ALA 498 Ca 0.05 -2.98 -0.14 0.00 0.00 0.00 0.00 51.96 48.90 1k90 s ALA 498 Cb -0.12 -2.60 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1k90 s ALA 498 CO -0.04 -1.99 0.87 -1.25 0.00 0.00 0.00 175.76 173.34 1k90 s PRO 499 N 0.43 3.87 0.53 0.00 0.04 -1.23 0.58 135.00 139.21 1k90 s PRO 499 Ca 0.13 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 1k90 s PRO 499 Cb -0.21 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 1k90 s PRO 499 CO -0.04 -0.13 1.15 -1.54 0.04 0.00 0.00 177.00 176.48 1k90 s SER 500 N -3.07 5.74 0.25 6.66 1.04 -0.19 0.08 113.70 124.22 1k90 s SER 500 Ca 0.55 2.25 -0.03 0.00 0.48 0.00 0.00 55.95 59.19 1k90 s SER 500 Cb -0.10 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.83 1k90 s SER 500 CO 0.30 -1.21 1.84 -0.07 0.98 0.00 0.00 173.24 175.08 1k90 h LEU 501 N 1.36 0.82 -1.93 2.42 3.38 -1.88 0.23 115.31 119.71 1k90 h LEU 501 Ca -0.50 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1k90 h LEU 501 Cb 1.26 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1k90 h LEU 501 CO 0.57 0.49 0.02 0.71 0.09 0.00 0.00 178.44 180.32 1k90 h THR 502 N 0.93 1.02 -0.29 0.22 1.35 -1.90 -1.58 112.91 112.66 1k90 h THR 502 Ca 0.41 -0.07 -0.17 0.00 -0.55 0.00 0.00 66.41 66.04 1k90 h THR 502 Cb 0.30 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1k90 h THR 502 CO -0.22 0.03 -0.48 -0.08 -0.25 0.00 0.00 175.52 174.52 1k90 h GLU 503 N 0.07 0.78 0.00 4.72 4.57 -0.91 -2.69 114.58 121.12 1k90 h GLU 503 Ca 0.02 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1k90 h GLU 503 Cb 0.02 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1k90 h GLU 503 CO -0.00 1.09 0.00 -0.84 -1.18 0.00 0.00 179.01 178.07 1k90 h ILE 504 N 0.62 0.00 -0.50 2.32 3.07 -0.65 -3.01 117.51 119.36 1k90 h ILE 504 Ca 0.03 -0.62 0.02 0.00 1.55 0.00 0.00 64.86 65.85 1k90 h ILE 504 Cb 1.06 1.57 -0.03 0.00 -0.27 0.00 0.00 36.82 39.15 1k90 h ILE 504 CO 0.10 0.00 0.30 0.50 -1.05 0.00 0.00 178.15 178.00 1k90 h LYS 505 N 0.00 0.57 0.00 0.16 1.63 -0.98 0.75 116.57 118.70 1k90 h LYS 505 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1k90 h LYS 505 Cb 0.70 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1k90 h LYS 505 CO 0.00 0.38 0.00 0.87 -3.45 0.00 0.00 179.45 177.25 1k90 h LYS 506 N 0.59 0.00 0.00 1.90 1.57 -1.53 0.17 116.57 119.27 1k90 h LYS 506 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1k90 h LYS 506 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1k90 h LYS 506 CO -0.10 0.00 0.00 0.37 -0.57 0.00 0.00 179.45 179.15 1k90 h GLN 507 N 0.00 0.00 -5.41 3.15 5.75 -0.94 -3.43 115.11 114.24 1k90 h GLN 507 Ca 0.00 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.89 1k90 h GLN 507 Cb 0.05 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.48 1k90 h GLN 507 CO 0.00 0.00 -0.17 0.42 -2.65 0.00 0.00 178.83 176.43 1k90 s ILE 508 N -3.35 5.17 0.09 2.39 1.01 0.60 -4.94 121.20 122.18 1k90 s ILE 508 Ca 0.05 0.74 -0.31 0.00 0.00 0.00 0.00 60.65 61.14 1k90 s ILE 508 Cb 0.09 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 1k90 s ILE 508 CO 0.55 0.22 1.89 -2.16 0.00 0.00 0.00 174.94 175.44 1k90 s PRO 509 N 1.51 4.13 -0.10 2.79 0.04 -1.26 -4.79 135.00 137.32 1k90 s PRO 509 Ca 0.19 2.62 -0.09 0.00 0.04 0.00 0.00 61.00 63.76 1k90 s PRO 509 Cb -0.15 -3.81 -0.11 0.00 0.04 0.00 0.00 34.50 30.47 1k90 s PRO 509 CO 0.08 -0.89 1.28 0.94 0.04 0.00 0.00 177.00 178.45 1k90 n GLN 510 N 6.39 0.22 0.20 4.56 -0.06 -1.26 -2.33 117.38 125.10 1k90 n GLN 510 Ca 0.19 -0.76 0.00 0.00 -2.00 0.00 0.00 57.00 54.43 1k90 n GLN 510 Cb 0.39 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.37 1k90 n GLN 510 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1k90 n LYS 511 N 5.80 0.00 0.23 3.69 4.81 -1.26 -4.79 118.16 126.63 1k90 n LYS 511 Ca 0.18 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.70 1k90 n LYS 511 Cb 0.14 0.00 0.54 0.00 0.02 0.00 0.00 35.03 35.72 1k90 n LYS 511 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1k90 h GLU 512 N 0.00 0.00 0.00 1.64 5.08 -1.85 0.56 114.58 120.00 1k90 h GLU 512 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1k90 h GLU 512 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1k90 h GLU 512 CO 0.00 0.23 -0.42 2.35 -1.00 0.00 0.00 179.01 180.16 1k90 h TRP 513 N 0.00 0.00 0.02 4.33 7.01 -1.88 -2.71 115.95 122.72 1k90 h TRP 513 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1k90 h TRP 513 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1k90 h TRP 513 CO 0.00 0.42 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.62 1k90 h ASP 514 N 0.00 -0.02 0.00 2.65 3.45 -1.00 -2.33 116.42 119.17 1k90 h ASP 514 Ca -0.00 -0.69 0.00 0.00 0.43 0.00 0.00 57.03 56.76 1k90 h ASP 514 Cb 0.86 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 1k90 h ASP 514 CO 0.06 0.79 0.00 1.17 -1.57 0.00 0.00 179.24 179.69 1k90 n LYS 515 N -4.70 0.00 -0.05 3.56 4.81 0.17 -1.23 118.16 120.72 1k90 n LYS 515 Ca -0.08 0.08 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1k90 n LYS 515 Cb 0.35 -1.50 -0.04 0.00 0.02 0.00 0.00 35.03 33.85 1k90 n LYS 515 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1k90 n VAL 516 N -1.07 0.56 -0.04 3.15 0.31 -1.03 -4.71 118.33 115.49 1k90 n VAL 516 Ca 0.00 -0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1k90 n VAL 516 Cb 0.00 -0.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1k90 n VAL 516 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1k90 h VAL 517 N -0.04 1.37 -1.34 2.52 3.04 -0.82 -3.37 116.25 117.61 1k90 h VAL 517 Ca -0.22 -1.63 -0.68 0.00 -1.01 0.00 0.00 66.70 63.16 1k90 h VAL 517 Cb 1.32 2.09 -0.11 0.00 -2.01 0.00 0.00 31.29 32.58 1k90 h VAL 517 CO -0.05 0.48 1.76 0.20 -1.01 0.00 0.00 177.57 178.96 1k90 s ASN 518 N -6.44 6.81 0.24 3.17 0.02 -0.36 -4.86 114.94 113.51 1k90 s ASN 518 Ca -0.13 -2.36 -0.17 0.00 -1.02 0.00 0.00 52.86 49.18 1k90 s ASN 518 Cb 0.05 -2.52 0.02 0.00 0.02 0.00 0.00 41.25 38.82 1k90 s ASN 518 CO 0.79 -1.13 0.58 0.28 0.02 0.00 0.00 177.10 177.64 1k90 s THR 519 N 3.63 0.01 0.00 1.60 -1.32 -1.26 -4.81 115.64 113.49 1k90 s THR 519 Ca 0.48 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1k90 s THR 519 Cb 0.01 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 1k90 s THR 519 CO 0.01 -0.04 0.00 -0.81 -2.21 0.00 0.00 174.62 171.57 1k90 n PRO 520 N -0.39 0.00 -1.42 7.08 -0.04 -1.26 -4.89 135.00 134.08 1k90 n PRO 520 Ca -0.06 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.84 1k90 n PRO 520 Cb 0.61 -0.01 -0.09 0.00 -0.04 0.00 0.00 33.50 33.98 1k90 n PRO 520 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1k90 n ASN 521 N 0.00 0.96 0.02 3.54 3.02 -1.26 -4.78 115.26 116.76 1k90 n ASN 521 Ca 0.00 0.94 -0.02 0.00 -0.03 0.00 0.00 54.58 55.47 1k90 n ASN 521 Cb 0.00 -0.75 0.26 0.00 -0.61 0.00 0.00 39.78 38.68 1k90 n ASN 521 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1k90 h SER 522 N 4.77 0.46 0.15 6.41 4.64 -1.98 0.15 113.55 128.15 1k90 h SER 522 Ca -0.33 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1k90 h SER 522 Cb 1.17 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1k90 h SER 522 CO 0.85 0.63 0.00 -0.11 -0.87 0.00 0.00 176.83 177.32 1k90 n LEU 523 N -4.20 0.24 -0.08 5.97 7.94 -1.26 -0.18 117.00 125.43 1k90 n LEU 523 Ca 0.00 0.60 -0.09 0.00 -1.11 0.00 0.00 56.01 55.42 1k90 n LEU 523 Cb 0.33 -0.61 -0.12 0.00 0.53 0.00 0.00 43.42 43.54 1k90 n LEU 523 CO 0.40 -0.61 -1.04 1.21 -1.11 0.00 0.00 177.39 176.25 1k90 n GLU 524 N -1.81 1.30 0.09 1.96 4.07 0.29 -3.63 120.64 122.91 1k90 n GLU 524 Ca 0.00 0.01 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1k90 n GLU 524 Cb 0.06 -1.41 -0.08 0.00 -0.06 0.00 0.00 31.44 29.95 1k90 n GLU 524 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1k90 h LYS 525 N 0.00 -0.26 -0.57 5.31 3.64 0.12 0.12 116.57 124.94 1k90 h LYS 525 Ca -0.44 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1k90 h LYS 525 Cb 1.95 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 1k90 h LYS 525 CO 0.01 0.12 0.15 0.37 -2.27 0.00 0.00 179.45 177.83 1k90 h GLN 526 N -0.73 0.90 -0.00 1.90 -0.00 -0.81 0.24 115.11 116.61 1k90 h GLN 526 Ca -0.03 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.65 58.33 1k90 h GLN 526 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 1k90 h GLN 526 CO 0.05 0.83 -0.40 -0.22 0.00 0.00 0.00 178.83 179.09 1k90 h LYS 527 N 0.80 0.00 -0.14 1.69 3.64 -1.62 -1.31 116.57 119.64 1k90 h LYS 527 Ca 0.18 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.33 1k90 h LYS 527 Cb 0.33 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1k90 h LYS 527 CO -0.00 0.40 -0.81 0.78 -2.27 0.00 0.00 179.45 177.55 1k90 h GLY 528 N 1.20 0.86 0.81 5.01 0.00 -0.15 -2.85 103.07 107.94 1k90 h GLY 528 Ca -0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.06 1k90 h GLY 528 CO 0.05 1.10 -0.22 -2.08 0.00 0.00 0.00 176.54 175.40 1k90 h VAL 529 N 0.52 0.52 -0.68 4.60 2.07 -0.71 -2.88 116.25 119.70 1k90 h VAL 529 Ca -0.06 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.26 1k90 h VAL 529 Cb 1.44 0.67 -0.13 0.00 -1.52 0.00 0.00 31.29 31.75 1k90 h VAL 529 CO 0.16 0.06 -0.29 0.74 0.02 0.00 0.00 177.57 178.26 1k90 h THR 530 N -0.81 0.18 0.00 2.57 2.02 -1.32 0.21 112.91 115.76 1k90 h THR 530 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1k90 h THR 530 Cb 0.55 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1k90 h THR 530 CO 0.10 0.00 -0.00 0.78 0.37 0.00 0.00 175.52 176.77 1k90 h ASN 531 N -0.10 0.00 -0.01 4.18 2.35 -1.46 -1.51 115.58 119.02 1k90 h ASN 531 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1k90 h ASN 531 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1k90 h ASN 531 CO -0.74 0.00 -0.10 -0.07 -1.65 0.00 0.00 177.43 174.88 1k90 h LEU 532 N 0.00 0.10 -0.71 1.61 3.38 -0.40 -2.36 115.31 116.94 1k90 h LEU 532 Ca -0.00 -0.71 0.14 0.00 0.09 0.00 0.00 57.88 57.40 1k90 h LEU 532 Cb 0.00 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.59 1k90 h LEU 532 CO 0.00 0.80 -0.23 0.25 0.09 0.00 0.00 178.44 179.35 1k90 h LEU 533 N -0.58 -0.84 -0.69 1.67 6.46 -0.31 0.38 115.31 121.40 1k90 h LEU 533 Ca -0.01 0.23 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 1k90 h LEU 533 Cb 0.80 0.50 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 1k90 h LEU 533 CO 0.02 -0.26 0.43 0.40 -0.62 0.00 0.00 178.44 178.40 1k90 h ILE 534 N -0.04 1.07 0.45 4.05 2.04 -1.38 0.23 117.51 123.93 1k90 h ILE 534 Ca 0.32 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1k90 h ILE 534 Cb 0.54 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1k90 h ILE 534 CO -0.75 0.15 -0.22 0.50 0.00 0.00 0.00 178.15 177.84 1k90 h LYS 535 N 0.83 -0.59 -0.53 2.37 3.11 0.24 0.68 116.57 122.68 1k90 h LYS 535 Ca 0.28 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.16 1k90 h LYS 535 Cb 0.05 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1k90 h LYS 535 CO -0.12 -0.34 0.00 0.66 -2.81 0.00 0.00 179.45 176.84 1k90 n TYR 536 N -5.31 0.70 0.00 1.91 4.01 -0.19 -4.44 117.16 113.84 1k90 n TYR 536 Ca -0.11 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 1k90 n TYR 536 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1k90 n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k90 n GLY 537 N 1.53 0.00 0.14 2.72 0.00 0.77 -4.74 105.19 105.61 1k90 n GLY 537 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1k90 n GLY 537 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k90 h ILE 538 N 0.00 0.77 -3.70 -0.61 2.04 -1.01 -3.48 117.51 111.52 1k90 h ILE 538 Ca 0.00 -2.39 -0.52 0.00 1.00 0.00 0.00 64.86 62.96 1k90 h ILE 538 Cb 0.07 2.59 0.04 0.00 -0.74 0.00 0.00 36.82 38.78 1k90 h ILE 538 CO 0.00 0.84 0.59 -0.70 0.00 0.00 0.00 178.15 178.88 1k90 s GLU 539 N -2.54 4.45 0.03 2.37 2.12 0.23 -5.03 118.70 120.33 1k90 s GLU 539 Ca -0.21 2.03 -0.07 0.00 0.36 0.00 0.00 54.97 57.09 1k90 s GLU 539 Cb 0.06 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1k90 s GLU 539 CO 0.78 -0.08 0.12 -0.98 -0.54 0.00 0.00 175.26 174.56 1k90 s ARG 540 N -1.15 0.58 0.07 4.30 1.04 -1.26 -4.53 118.95 117.99 1k90 s ARG 540 Ca 0.50 -0.65 0.01 0.00 -1.04 0.00 0.00 55.73 54.55 1k90 s ARG 540 Cb -0.36 0.23 -0.03 0.00 -2.04 0.00 0.00 34.95 32.75 1k90 s ARG 540 CO 0.45 -0.15 -0.06 -1.59 -0.04 0.00 0.00 175.30 173.90 1k90 s LYS 541 N -2.33 0.66 0.10 3.89 -2.85 -0.83 -4.90 119.74 113.48 1k90 s LYS 541 Ca -0.07 -1.06 -0.31 0.00 -1.00 0.00 0.00 55.97 53.53 1k90 s LYS 541 Cb -0.03 -0.17 -0.08 0.00 -2.06 0.00 0.00 37.83 35.49 1k90 s LYS 541 CO -0.03 -0.01 1.54 -1.25 0.10 0.00 0.00 175.35 175.70 1k90 s PRO 542 N -2.85 4.24 0.36 1.78 0.04 -1.26 -2.72 135.00 134.58 1k90 s PRO 542 Ca 0.01 2.24 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1k90 s PRO 542 Cb -0.01 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1k90 s PRO 542 CO -0.03 -0.61 0.50 0.34 0.04 0.00 0.00 177.00 177.24 1k90 s ASP 543 N 1.67 5.92 0.25 6.66 2.15 0.46 -4.93 116.67 128.85 1k90 s ASP 543 Ca 0.69 -0.16 -0.05 0.00 0.43 0.00 0.00 52.55 53.47 1k90 s ASP 543 Cb -0.39 -1.21 0.27 0.00 -0.30 0.00 0.00 42.92 41.29 1k90 s ASP 543 CO 0.31 -0.50 1.82 0.77 -0.17 0.00 0.00 175.17 177.40 1k90 h SER 544 N 0.81 0.99 0.00 -0.34 4.64 -1.96 -3.35 113.55 114.35 1k90 h SER 544 Ca -0.45 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1k90 h SER 544 Cb 1.26 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1k90 h SER 544 CO 0.52 0.88 -0.66 0.35 -0.87 0.00 0.00 176.83 177.06 1k90 n THR 545 N -4.29 0.00 0.04 2.95 -2.24 -1.26 -4.73 114.28 104.75 1k90 n THR 545 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1k90 n THR 545 Cb 0.18 -0.56 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 1k90 n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k90 n LYS 546 N -2.34 0.02 0.00 -0.78 4.01 -1.26 -4.61 118.16 113.19 1k90 n LYS 546 Ca 0.00 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1k90 n LYS 546 Cb 0.33 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 1k90 n LYS 546 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1k90 n GLY 547 N -1.02 1.56 2.51 0.72 0.00 -1.26 -0.46 105.19 107.25 1k90 n GLY 547 Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 1k90 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k90 s THR 548 N 0.00 0.05 0.36 2.61 2.01 -1.26 0.17 115.64 119.59 1k90 s THR 548 Ca 0.00 -1.84 0.07 0.00 0.31 0.00 0.00 61.69 60.23 1k90 s THR 548 Cb 0.00 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1k90 s THR 548 CO 0.00 -0.95 -0.02 -1.48 -0.69 0.00 0.00 174.62 171.49 1k90 s LEU 549 N 0.80 2.68 0.00 4.42 0.05 -1.10 -4.68 118.68 120.85 1k90 s LEU 549 Ca 0.23 -1.31 -0.01 0.00 0.05 0.00 0.00 54.13 53.10 1k90 s LEU 549 Cb -0.11 -0.81 0.06 0.00 -2.05 0.00 0.00 46.19 43.28 1k90 s LEU 549 CO -0.07 -0.40 0.44 -1.54 -0.55 0.00 0.00 176.35 174.22 1k90 n SER 550 N -0.83 0.50 -0.07 1.48 3.41 -1.26 -1.96 113.62 114.88 1k90 n SER 550 Ca -0.05 -1.44 -0.14 0.00 -0.26 0.00 0.00 58.87 56.98 1k90 n SER 550 Cb 0.66 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1k90 n SER 550 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1k90 h ASN 551 N -0.31 0.00 -0.21 4.04 2.35 -1.93 -2.30 115.58 117.22 1k90 h ASN 551 Ca -0.14 -0.91 0.06 0.00 -0.55 0.00 0.00 56.30 54.75 1k90 h ASN 551 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1k90 h ASN 551 CO 0.15 1.03 0.15 4.11 -1.65 0.00 0.00 177.43 181.22 1k90 h TRP 552 N -1.00 0.00 -0.12 1.19 5.08 -1.94 -0.73 115.95 118.44 1k90 h TRP 552 Ca -0.04 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.91 1k90 h TRP 552 Cb 1.00 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1k90 h TRP 552 CO 0.25 0.00 -0.02 1.96 -1.28 0.00 0.00 178.44 179.35 1k90 h GLN 553 N 0.00 0.22 -0.59 0.12 4.20 -1.95 0.15 115.11 117.26 1k90 h GLN 553 Ca 0.10 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 58.86 1k90 h GLN 553 Cb 0.40 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1k90 h GLN 553 CO -0.00 0.51 0.41 0.87 -0.67 0.00 0.00 178.83 179.95 1k90 h LYS 554 N -0.09 0.19 0.06 1.46 1.57 -0.57 0.18 116.57 119.37 1k90 h LYS 554 Ca 0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1k90 h LYS 554 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1k90 h LYS 554 CO 0.01 0.13 -0.03 1.96 -0.57 0.00 0.00 179.45 180.95 1k90 h GLN 555 N 0.20 -0.07 -0.88 3.15 4.20 -0.79 -1.70 115.11 119.21 1k90 h GLN 555 Ca 0.28 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.21 1k90 h GLN 555 Cb 0.85 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 1k90 h GLN 555 CO -0.05 0.51 0.60 1.98 -0.67 0.00 0.00 178.83 181.20 1k90 h MET 556 N -0.76 0.27 0.12 1.46 4.05 0.39 0.29 114.93 120.75 1k90 h MET 556 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1k90 h MET 556 Cb 0.62 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1k90 h MET 556 CO 0.01 0.18 -0.06 -0.07 0.23 0.00 0.00 176.91 177.20 1k90 h LEU 557 N 0.28 -0.14 -0.85 3.39 4.07 -0.55 -0.98 115.31 120.52 1k90 h LEU 557 Ca 0.45 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.74 1k90 h LEU 557 Cb 1.31 0.04 -0.15 0.00 1.08 0.00 0.00 40.66 42.93 1k90 h LEU 557 CO -0.13 -0.06 0.34 0.47 -1.08 0.00 0.00 178.44 177.98 1k90 n ASP 558 N -2.66 0.19 0.42 -0.43 8.00 -0.65 0.71 116.55 122.12 1k90 n ASP 558 Ca -0.02 1.42 -0.17 0.00 0.71 0.00 0.00 54.79 56.74 1k90 n ASP 558 Cb 0.07 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 1k90 n ASP 558 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1k90 h ARG 559 N 0.00 -1.04 -0.67 -1.24 2.47 -0.36 -1.72 114.38 111.82 1k90 h ARG 559 Ca 0.67 0.07 0.12 0.00 -1.26 0.00 0.00 59.98 59.58 1k90 h ARG 559 Cb 1.68 0.24 -0.09 0.00 -1.65 0.00 0.00 29.97 30.15 1k90 h ARG 559 CO -0.70 -0.69 0.21 -0.07 0.56 0.00 0.00 179.97 179.28 1k90 h LEU 560 N -1.08 0.14 0.08 3.04 3.38 0.17 0.13 115.31 121.17 1k90 h LEU 560 Ca -0.11 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k90 h LEU 560 Cb 0.83 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1k90 h LEU 560 CO 0.18 0.06 -0.04 0.78 0.09 0.00 0.00 178.44 179.51 1k90 h ASN 561 N 0.36 -0.09 -0.91 -0.43 2.35 -1.01 -2.59 115.58 113.25 1k90 h ASN 561 Ca 0.36 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.12 1k90 h ASN 561 Cb 0.53 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.87 1k90 h ASN 561 CO -0.39 -0.03 0.60 -0.33 -1.65 0.00 0.00 177.43 175.62 1k90 h GLU 562 N -0.14 1.10 -0.74 0.81 5.08 -0.46 -1.07 114.58 119.17 1k90 h GLU 562 Ca -0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1k90 h GLU 562 Cb 0.11 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1k90 h GLU 562 CO 0.02 0.73 0.46 0.00 -1.00 0.00 0.00 179.01 179.21 1k90 h ALA 563 N 1.47 0.99 0.00 3.43 0.00 -0.42 -1.41 119.26 123.32 1k90 h ALA 563 Ca 0.36 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1k90 h ALA 563 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1k90 h ALA 563 CO -0.11 0.21 -0.36 -0.39 0.00 0.00 0.00 179.25 178.61 1k90 h VAL 564 N 0.87 0.69 -0.53 0.00 -1.51 -1.04 -2.90 116.25 111.83 1k90 h VAL 564 Ca 0.31 -1.70 -0.02 0.00 -1.23 0.00 0.00 66.70 64.06 1k90 h VAL 564 Cb 0.08 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1k90 h VAL 564 CO -0.14 0.35 0.27 0.11 -1.23 0.00 0.00 177.57 176.94 1k90 h LYS 565 N 0.00 0.75 -0.75 5.19 6.56 -0.21 -1.91 116.57 126.20 1k90 h LYS 565 Ca -0.00 -0.10 0.09 0.00 -1.06 0.00 0.00 60.65 59.57 1k90 h LYS 565 Cb 1.11 -0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.56 1k90 h LYS 565 CO 0.05 0.61 0.41 1.88 -2.06 0.00 0.00 179.45 180.33 1k90 h TYR 566 N 0.71 0.74 0.00 -1.35 0.99 -1.10 0.83 116.97 117.78 1k90 h TYR 566 Ca 0.18 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1k90 h TYR 566 Cb 0.09 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.60 1k90 h TYR 566 CO -0.01 0.30 0.00 1.79 -0.00 0.00 0.00 178.16 180.24 1k90 h THR 567 N 0.70 0.00 0.00 -2.88 1.35 -1.36 -3.46 112.91 107.26 1k90 h THR 567 Ca 0.36 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1k90 h THR 567 Cb 0.33 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1k90 h THR 567 CO -0.24 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.64 1k90 n GLY 568 N -0.42 1.85 3.33 5.82 0.00 0.28 -5.07 105.19 110.99 1k90 n GLY 568 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1k90 n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k90 n TYR 569 N 0.00 1.12 0.12 1.61 9.36 -0.77 -4.80 117.16 123.81 1k90 n TYR 569 Ca 0.00 0.62 0.08 0.00 3.32 0.00 0.00 57.90 61.92 1k90 n TYR 569 Cb 0.00 -2.35 0.26 0.00 -0.63 0.00 0.00 39.34 36.62 1k90 n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1k90 n THR 570 N 6.81 0.96 0.73 2.97 -2.24 -1.26 -4.39 114.28 117.85 1k90 n THR 570 Ca 0.55 -0.80 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 1k90 n THR 570 Cb 0.02 0.26 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1k90 n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k90 n GLY 571 N 1.25 -1.22 0.00 3.38 0.00 -1.24 -4.99 105.19 102.37 1k90 n GLY 571 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1k90 n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k90 n GLY 572 N 1.41 0.21 3.84 -0.02 0.00 -1.26 -4.52 105.19 104.85 1k90 n GLY 572 Ca 0.03 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 1k90 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k90 s ASP 573 N -4.00 6.68 -0.01 1.61 -0.00 -1.26 -4.92 116.67 114.77 1k90 s ASP 573 Ca 0.00 1.54 0.09 0.00 -0.00 0.00 0.00 52.55 54.18 1k90 s ASP 573 Cb 0.00 -2.49 -0.14 0.00 -0.00 0.00 0.00 42.92 40.29 1k90 s ASP 573 CO 0.00 -0.51 0.22 0.52 -0.00 0.00 0.00 175.17 175.40 1k90 n VAL 574 N -1.31 0.00 -4.02 -1.27 0.31 -1.26 -4.41 118.33 106.37 1k90 n VAL 574 Ca 0.06 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.85 1k90 n VAL 574 Cb 0.54 0.36 -0.15 0.00 -0.91 0.00 0.00 33.84 33.68 1k90 n VAL 574 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k90 s VAL 575 N -2.56 2.35 -2.87 2.52 1.01 -1.26 0.10 120.40 119.68 1k90 s VAL 575 Ca -0.03 -1.94 0.24 0.00 0.00 0.00 0.00 61.98 60.26 1k90 s VAL 575 Cb 0.06 -2.55 0.26 0.00 0.00 0.00 0.00 36.38 34.16 1k90 s VAL 575 CO 0.38 -0.32 1.34 0.59 0.00 0.00 0.00 175.10 177.10 1k90 n ASN 576 N 4.38 2.82 -3.68 3.32 3.02 -1.26 -4.95 115.26 118.90 1k90 n ASN 576 Ca -0.06 -1.93 -0.04 0.00 -0.03 0.00 0.00 54.58 52.53 1k90 n ASN 576 Cb 0.42 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 1k90 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1k90 s HIS 577 N -1.95 -0.16 1.06 3.10 -3.43 -1.26 -4.28 115.29 108.37 1k90 s HIS 577 Ca 0.30 -0.08 -0.17 0.00 -0.80 0.00 0.00 55.06 54.31 1k90 s HIS 577 Cb 0.20 0.60 0.11 0.00 -1.43 0.00 0.00 32.58 32.06 1k90 s HIS 577 CO 0.31 -0.68 -0.01 0.41 -2.00 0.00 0.00 174.74 172.77 1k90 n GLY 578 N -0.42 -2.55 3.72 -1.38 0.00 0.39 -4.64 105.19 100.32 1k90 n GLY 578 Ca -0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1k90 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k90 s THR 579 N -2.13 2.66 -0.05 2.61 -4.23 -1.26 -4.53 115.64 108.70 1k90 s THR 579 Ca 0.45 0.21 0.31 0.00 -1.18 0.00 0.00 61.69 61.48 1k90 s THR 579 Cb -0.07 -2.71 0.35 0.00 1.34 0.00 0.00 72.50 71.41 1k90 s THR 579 CO 0.51 -0.28 1.92 -0.08 -0.54 0.00 0.00 174.62 176.14 1k90 h GLU 580 N -1.54 0.00 0.00 3.99 4.57 -0.51 -2.52 114.58 118.57 1k90 h GLU 580 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1k90 h GLU 580 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1k90 h GLU 580 CO 0.55 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 179.42 1k90 n GLN 581 N -2.79 0.12 -0.38 1.92 1.13 -1.20 -1.81 117.38 114.37 1k90 n GLN 581 Ca 0.01 0.15 0.08 0.00 -1.94 0.00 0.00 57.00 55.30 1k90 n GLN 581 Cb 0.25 -1.50 0.22 0.00 0.11 0.00 0.00 30.24 29.33 1k90 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1k90 n ASP 582 N -1.40 3.33 -4.07 1.08 8.00 -0.95 -3.55 116.55 118.98 1k90 n ASP 582 Ca 0.06 -3.12 -0.38 0.00 0.71 0.00 0.00 54.79 52.07 1k90 n ASP 582 Cb 0.19 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 1k90 n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1k90 n ASN 583 N -0.82 4.72 0.08 -2.24 5.15 -0.75 -4.79 115.26 116.61 1k90 n ASN 583 Ca 0.21 -3.19 -0.01 0.00 -0.60 0.00 0.00 54.58 50.99 1k90 n ASN 583 Cb 0.84 -1.11 -0.05 0.00 -0.53 0.00 0.00 39.78 38.93 1k90 n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1k90 h GLU 584 N 5.84 0.00 0.03 1.20 5.08 -1.85 -3.06 114.58 121.83 1k90 h GLU 584 Ca 0.18 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.32 1k90 h GLU 584 Cb 0.78 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.05 1k90 h GLU 584 CO 0.95 0.55 -0.87 0.93 -1.00 0.00 0.00 179.01 179.57 1k90 h GLU 585 N 0.00 0.54 -1.80 2.33 5.08 -1.96 -3.38 114.58 115.38 1k90 h GLU 585 Ca -0.08 -0.62 -0.50 0.00 -1.00 0.00 0.00 59.36 57.16 1k90 h GLU 585 Cb 1.58 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 30.61 1k90 h GLU 585 CO 0.08 1.23 -0.97 1.19 -1.00 0.00 0.00 179.01 179.54 1k90 n PHE 586 N -4.02 1.99 -1.27 4.33 3.01 -1.26 -0.77 117.46 119.47 1k90 n PHE 586 Ca -0.11 -3.55 -0.37 0.00 1.01 0.00 0.00 57.45 54.43 1k90 n PHE 586 Cb 0.80 -0.38 0.06 0.00 -0.01 0.00 0.00 39.48 39.95 1k90 n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1k90 n PRO 587 N -0.06 0.27 -3.96 -1.08 -0.04 -1.15 -4.96 135.00 124.02 1k90 n PRO 587 Ca 0.26 0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 1k90 n PRO 587 Cb 0.62 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 1k90 n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1k90 s GLU 588 N -2.40 1.83 -0.56 0.54 0.41 -1.26 -4.96 118.70 112.30 1k90 s GLU 588 Ca 0.63 -0.63 -0.20 0.00 -0.41 0.00 0.00 54.97 54.36 1k90 s GLU 588 Cb -0.37 -2.15 0.07 0.00 -1.78 0.00 0.00 34.13 29.90 1k90 s GLU 588 CO 0.60 -0.38 0.75 0.21 -0.49 0.00 0.00 175.26 175.95 1k90 s LYS 589 N 1.52 3.13 -0.19 1.61 2.20 -1.26 -5.02 119.74 121.73 1k90 s LYS 589 Ca 0.01 -0.90 -0.09 0.00 -0.36 0.00 0.00 55.97 54.63 1k90 s LYS 589 Cb -0.15 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.97 1k90 s LYS 589 CO -0.08 -1.45 0.11 -0.51 -0.36 0.00 0.00 175.35 173.05 1k90 s ASP 590 N 3.13 6.02 0.07 1.43 1.01 -1.26 -5.02 116.67 122.05 1k90 s ASP 590 Ca 0.18 0.20 -0.28 0.00 0.71 0.00 0.00 52.55 53.36 1k90 s ASP 590 Cb -0.19 -2.04 -0.17 0.00 1.01 0.00 0.00 42.92 41.53 1k90 s ASP 590 CO 0.11 0.20 1.63 0.78 0.21 0.00 0.00 175.17 178.10 1k90 h ASN 591 N 6.53 -0.36 -3.67 0.27 2.35 -1.94 -3.40 115.58 115.35 1k90 h ASN 591 Ca -0.41 -0.02 -0.64 0.00 -0.55 0.00 0.00 56.30 54.68 1k90 h ASN 591 Cb 1.16 0.09 -0.20 0.00 0.05 0.00 0.00 38.32 39.43 1k90 h ASN 591 CO 0.73 -0.22 -0.58 -1.61 -1.65 0.00 0.00 177.43 174.09 1k90 s GLU 592 N -5.94 3.81 -0.20 0.81 2.02 -1.26 -2.47 118.70 115.47 1k90 s GLU 592 Ca -0.15 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.40 1k90 s GLU 592 Cb 0.04 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 1k90 s GLU 592 CO 0.63 -0.11 -0.06 0.42 0.02 0.00 0.00 175.26 176.17 1k90 s ILE 593 N 1.45 3.36 0.10 -1.63 -1.09 -1.22 -3.93 121.20 118.24 1k90 s ILE 593 Ca 0.06 -0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 57.67 1k90 s ILE 593 Cb -0.15 -2.50 -0.06 0.00 -1.58 0.00 0.00 42.46 38.17 1k90 s ILE 593 CO 0.05 0.45 0.95 0.12 -1.23 0.00 0.00 174.94 175.29 1k90 s PHE 594 N 1.16 3.80 -0.03 3.97 5.36 -0.34 -2.02 117.98 129.89 1k90 s PHE 594 Ca 0.02 1.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.80 1k90 s PHE 594 Cb -0.14 -3.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1k90 s PHE 594 CO -0.01 0.20 -0.11 0.42 -1.46 0.00 0.00 175.22 174.26 1k90 s ILE 595 N 0.04 0.89 -0.28 3.12 1.01 0.17 0.41 121.20 126.56 1k90 s ILE 595 Ca 0.47 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1k90 s ILE 595 Cb -0.23 -0.78 0.07 0.00 0.01 0.00 0.00 42.46 41.52 1k90 s ILE 595 CO 0.29 0.27 -0.06 -0.63 0.00 0.00 0.00 174.94 174.81 1k90 s ILE 596 N 0.10 2.33 0.65 2.92 1.01 0.53 0.19 121.20 128.93 1k90 s ILE 596 Ca -0.02 -1.72 -0.11 0.00 0.00 0.00 0.00 60.65 58.80 1k90 s ILE 596 Cb -0.08 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1k90 s ILE 596 CO 0.01 -0.14 1.05 0.54 0.00 0.00 0.00 174.94 176.39 1k90 s ASN 597 N 1.11 5.82 0.18 3.58 2.20 -0.67 -0.72 114.94 126.45 1k90 s ASN 597 Ca -0.05 1.22 0.11 0.00 -0.94 0.00 0.00 52.86 53.20 1k90 s ASN 597 Cb -0.20 -2.16 0.60 0.00 -2.00 0.00 0.00 41.25 37.49 1k90 s ASN 597 CO -0.05 -1.09 1.30 -0.81 -2.94 0.00 0.00 177.10 173.51 1k90 n PRO 598 N -2.84 0.07 -0.06 3.55 -0.04 -1.24 0.65 135.00 135.08 1k90 n PRO 598 Ca 0.06 0.55 0.08 0.00 -0.04 0.00 0.00 63.50 64.14 1k90 n PRO 598 Cb 0.56 -1.81 0.33 0.00 -0.04 0.00 0.00 33.50 32.54 1k90 n PRO 598 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1k90 n GLU 599 N -1.88 1.41 -0.95 0.54 -0.58 -1.26 -3.04 120.64 114.88 1k90 n GLU 599 Ca -0.01 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 1k90 n GLU 599 Cb 0.08 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1k90 n GLU 599 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k90 n GLY 600 N 0.92 0.50 3.87 0.62 0.00 0.21 -4.95 105.19 106.35 1k90 n GLY 600 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1k90 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k90 s GLU 601 N -0.44 3.67 -0.16 1.61 2.02 -1.24 -4.83 118.70 119.32 1k90 s GLU 601 Ca 0.00 0.65 -0.05 0.00 0.02 0.00 0.00 54.97 55.59 1k90 s GLU 601 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1k90 s GLU 601 CO 0.00 -0.40 0.00 -0.06 0.02 0.00 0.00 175.26 174.82 1k90 s PHE 602 N -2.93 3.12 0.23 1.61 2.99 -1.26 -1.66 117.98 120.08 1k90 s PHE 602 Ca 0.54 -0.14 0.05 0.00 0.00 0.00 0.00 56.93 57.38 1k90 s PHE 602 Cb -0.11 -2.00 -0.05 0.00 0.00 0.00 0.00 43.02 40.86 1k90 s PHE 602 CO 0.46 0.06 -0.04 0.42 -0.00 0.00 0.00 175.22 176.12 1k90 s ILE 603 N 0.33 1.24 -0.29 0.64 -1.09 0.49 -1.88 121.20 120.64 1k90 s ILE 603 Ca -0.01 -2.07 0.01 0.00 -2.23 0.00 0.00 60.65 56.35 1k90 s ILE 603 Cb -0.13 -2.28 0.19 0.00 -1.58 0.00 0.00 42.46 38.66 1k90 s ILE 603 CO 0.02 -0.40 0.67 -0.22 -1.23 0.00 0.00 174.94 173.78 1k90 s LEU 604 N -3.32 -1.36 0.63 2.97 0.20 -1.08 0.43 118.68 117.14 1k90 s LEU 604 Ca 0.27 0.38 -0.18 0.00 0.69 0.00 0.00 54.13 55.29 1k90 s LEU 604 Cb 0.04 1.95 -0.02 0.00 -0.43 0.00 0.00 46.19 47.74 1k90 s LEU 604 CO 0.08 -0.25 1.22 0.42 -0.29 0.00 0.00 176.35 177.53 1k90 s THR 605 N 2.86 2.49 -0.12 3.68 -4.23 -0.86 -2.33 115.64 117.13 1k90 s THR 605 Ca 0.14 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 61.11 1k90 s THR 605 Cb -0.11 -3.05 -0.17 0.00 1.34 0.00 0.00 72.50 70.51 1k90 s THR 605 CO -0.23 -0.08 0.68 0.29 -0.54 0.00 0.00 174.62 174.74 1k90 n LYS 606 N -1.89 0.63 -3.67 3.99 4.76 -1.26 -3.44 118.16 117.28 1k90 n LYS 606 Ca 0.14 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.64 1k90 n LYS 606 Cb 0.50 -1.75 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 1k90 n LYS 606 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1k90 s ASN 607 N -5.66 -0.18 0.28 4.39 2.20 -1.03 -4.24 114.94 110.70 1k90 s ASN 607 Ca -0.04 -0.36 0.01 0.00 -0.94 0.00 0.00 52.86 51.53 1k90 s ASN 607 Cb 0.09 0.45 0.67 0.00 -2.00 0.00 0.00 41.25 40.45 1k90 s ASN 607 CO 0.82 -0.83 1.66 -0.25 -2.94 0.00 0.00 177.10 175.57 1k90 h TRP 608 N 2.45 0.39 -0.57 1.54 2.91 -1.76 0.24 115.95 121.15 1k90 h TRP 608 Ca -0.34 0.05 0.01 0.00 1.13 0.00 0.00 58.89 59.74 1k90 h TRP 608 Cb 1.25 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.83 1k90 h TRP 608 CO 0.34 -0.16 0.37 0.93 -1.03 0.00 0.00 178.44 178.90 1k90 h GLU 609 N 0.26 0.73 -0.73 2.65 3.07 -1.96 -2.14 114.58 116.46 1k90 h GLU 609 Ca 0.53 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.28 1k90 h GLU 609 Cb 1.03 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 1k90 h GLU 609 CO -0.60 0.49 0.22 1.98 -1.40 0.00 0.00 179.01 179.70 1k90 h MET 610 N 0.76 1.13 0.28 2.33 4.05 -0.96 -1.77 114.93 120.76 1k90 h MET 610 Ca 0.21 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1k90 h MET 610 Cb -0.06 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 1k90 h MET 610 CO -0.06 0.97 -0.26 1.15 0.23 0.00 0.00 176.91 178.94 1k90 h THR 611 N 1.09 0.44 -0.82 -0.77 2.02 -0.89 0.05 112.91 114.02 1k90 h THR 611 Ca 0.24 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.59 1k90 h THR 611 Cb 0.31 0.44 -0.11 0.00 -1.74 0.00 0.00 68.15 67.05 1k90 h THR 611 CO -0.01 0.00 0.33 1.23 0.37 0.00 0.00 175.52 177.45 1k90 h GLY 612 N -0.57 1.31 0.83 2.16 0.00 -1.13 0.11 103.07 105.79 1k90 h GLY 612 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1k90 h GLY 612 CO -0.04 -0.17 0.03 3.21 0.00 0.00 0.00 176.54 179.57 1k90 h ARG 613 N 0.42 0.30 -0.25 4.80 3.08 -0.72 -0.67 114.38 121.35 1k90 h ARG 613 Ca 0.48 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.48 1k90 h ARG 613 Cb 0.81 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1k90 h ARG 613 CO -0.47 0.46 0.07 0.35 -1.07 0.00 0.00 179.97 179.31 1k90 h PHE 614 N 0.10 0.13 -0.22 3.04 3.57 0.10 -0.32 116.94 123.33 1k90 h PHE 614 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1k90 h PHE 614 Cb 0.30 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1k90 h PHE 614 CO 0.02 0.06 0.02 0.82 -2.23 0.00 0.00 178.31 176.99 1k90 h ILE 615 N 0.18 1.13 -0.14 1.41 2.04 -0.74 -0.85 117.51 120.54 1k90 h ILE 615 Ca 0.11 -0.49 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 1k90 h ILE 615 Cb 0.09 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1k90 h ILE 615 CO -0.12 0.17 -0.78 -0.08 0.00 0.00 0.00 178.15 177.33 1k90 h GLU 616 N 0.31 0.75 0.18 2.37 4.81 -0.16 0.12 114.58 122.96 1k90 h GLU 616 Ca 0.07 -0.62 -0.32 0.00 -0.13 0.00 0.00 59.36 58.36 1k90 h GLU 616 Cb 0.19 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.71 1k90 h GLU 616 CO 0.00 1.23 -1.56 -0.22 -0.73 0.00 0.00 179.01 177.72 1k90 h LYS 617 N 0.51 0.38 0.00 1.92 3.64 -0.90 -2.71 116.57 119.42 1k90 h LYS 617 Ca -0.05 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1k90 h LYS 617 Cb 1.41 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1k90 h LYS 617 CO 0.16 1.31 -1.17 0.09 -2.27 0.00 0.00 179.45 177.57 1k90 n ASN 618 N -3.73 0.62 0.00 4.20 4.13 -0.34 -4.43 115.26 115.70 1k90 n ASN 618 Ca -0.23 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1k90 n ASN 618 Cb 1.02 1.05 0.00 0.00 -1.54 0.00 0.00 39.78 40.31 1k90 n ASN 618 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1k90 n ILE 619 N -1.85 0.00 0.17 2.41 5.41 -0.85 -4.51 119.36 120.14 1k90 n ILE 619 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.78 1k90 n ILE 619 Cb 0.42 -0.71 0.08 0.00 -0.71 0.00 0.00 39.64 38.73 1k90 n ILE 619 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1k90 n THR 620 N -1.60 0.42 -1.33 1.39 -2.24 0.37 -1.14 114.28 110.14 1k90 n THR 620 Ca 0.00 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.95 1k90 n THR 620 Cb 0.00 -1.06 0.09 0.00 -2.10 0.00 0.00 70.33 67.26 1k90 n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k90 n GLY 621 N -0.90 3.34 2.71 3.38 0.00 -1.02 -4.81 105.19 107.89 1k90 n GLY 621 Ca 0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 1k90 n GLY 621 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k90 n LYS 622 N -0.94 1.32 -3.50 1.61 4.76 -0.29 -4.89 118.16 116.24 1k90 n LYS 622 Ca 0.10 -2.63 -0.24 0.00 -2.87 0.00 0.00 58.31 52.67 1k90 n LYS 622 Cb 0.64 -0.76 0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1k90 n LYS 622 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1k90 n ASP 623 N -0.55 -5.84 -3.96 4.39 8.00 -1.25 -4.90 116.55 112.43 1k90 n ASP 623 Ca 0.01 -0.88 -0.15 0.00 0.71 0.00 0.00 54.79 54.47 1k90 n ASP 623 Cb 0.83 -4.17 -0.14 0.00 -0.02 0.00 0.00 41.12 37.62 1k90 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1k90 s TYR 624 N -3.43 0.45 0.07 1.24 1.51 -1.23 -3.10 117.35 112.85 1k90 s TYR 624 Ca 0.46 -0.10 -0.31 0.00 -1.01 0.00 0.00 57.07 56.12 1k90 s TYR 624 Cb -0.12 -0.29 -0.07 0.00 -0.11 0.00 0.00 41.96 41.37 1k90 s TYR 624 CO 0.81 -0.01 1.47 -1.17 -1.11 0.00 0.00 175.55 175.54 1k90 s LEU 625 N -0.17 4.35 -0.15 -1.29 2.96 0.11 -4.65 118.68 119.84 1k90 s LEU 625 Ca 0.01 2.31 -0.25 0.00 -0.22 0.00 0.00 54.13 55.98 1k90 s LEU 625 Cb -0.02 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.16 1k90 s LEU 625 CO -0.00 -0.74 0.64 -0.47 -1.32 0.00 0.00 176.35 174.45 1k90 s TYR 626 N 1.92 -0.65 -0.17 5.38 5.04 -1.26 -3.58 117.35 124.03 1k90 s TYR 626 Ca 0.67 1.38 -0.12 0.00 -2.44 0.00 0.00 57.07 56.57 1k90 s TYR 626 Cb -0.36 0.30 0.05 0.00 0.35 0.00 0.00 41.96 42.30 1k90 s TYR 626 CO 0.29 -0.46 0.44 1.52 -1.34 0.00 0.00 175.55 176.00 1k90 s TYR 627 N -0.41 -0.59 0.24 4.97 -0.85 -1.26 -5.05 117.35 114.40 1k90 s TYR 627 Ca -0.06 1.30 -0.03 0.00 -0.52 0.00 0.00 57.07 57.77 1k90 s TYR 627 Cb -0.03 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 1k90 s TYR 627 CO 0.05 -0.32 0.47 -0.59 -1.52 0.00 0.00 175.55 173.64 1k90 s PHE 628 N 1.03 3.48 -0.04 -3.49 -0.12 -1.26 -4.90 117.98 112.68 1k90 s PHE 628 Ca -0.06 0.48 -0.40 0.00 -0.05 0.00 0.00 56.93 56.90 1k90 s PHE 628 Cb -0.06 -1.97 -0.19 0.00 -0.63 0.00 0.00 43.02 40.16 1k90 s PHE 628 CO -0.09 0.28 1.18 -1.71 -0.05 0.00 0.00 175.22 174.83 1k90 n ASN 629 N -0.79 0.40 0.27 1.98 5.15 -1.23 -4.85 115.26 116.20 1k90 n ASN 629 Ca -0.03 1.16 0.15 0.00 -0.60 0.00 0.00 54.58 55.25 1k90 n ASN 629 Cb 0.54 -0.96 0.72 0.00 -0.53 0.00 0.00 39.78 39.55 1k90 n ASN 629 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1k90 h ARG 630 N 3.51 0.00 0.00 1.20 3.08 -1.94 -2.39 114.38 117.85 1k90 h ARG 630 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1k90 h ARG 630 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1k90 h ARG 630 CO 0.71 0.09 -0.03 0.43 -1.07 0.00 0.00 179.97 180.10 1k90 n SER 631 N -3.32 0.10 -4.76 7.04 7.64 -1.26 -4.76 113.62 114.29 1k90 n SER 631 Ca -0.01 0.47 -0.40 0.00 1.01 0.00 0.00 58.87 59.94 1k90 n SER 631 Cb 0.28 -0.49 0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1k90 n SER 631 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1k90 n TYR 632 N -1.57 2.64 -0.86 1.43 0.53 -0.90 -1.05 117.16 117.38 1k90 n TYR 632 Ca 0.07 0.44 0.00 0.00 -1.02 0.00 0.00 57.90 57.39 1k90 n TYR 632 Cb 0.35 -2.45 0.00 0.00 -1.03 0.00 0.00 39.34 36.21 1k90 n TYR 632 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1k90 n ASN 633 N -0.22 -2.19 -3.55 7.72 3.02 0.31 -4.87 115.26 115.48 1k90 n ASN 633 Ca 0.06 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.40 1k90 n ASN 633 Cb 0.41 -1.73 -0.05 0.00 -0.61 0.00 0.00 39.78 37.81 1k90 n ASN 633 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k90 n LYS 634 N -1.44 0.96 -3.54 3.52 5.02 -0.22 -5.01 118.16 117.46 1k90 n LYS 634 Ca 0.00 -2.48 -0.41 0.00 -2.02 0.00 0.00 58.31 53.40 1k90 n LYS 634 Cb 0.13 0.94 -0.08 0.00 -0.02 0.00 0.00 35.03 36.00 1k90 n LYS 634 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k90 s ILE 635 N -2.40 4.36 -0.08 -0.18 1.01 -1.26 -4.22 121.20 118.43 1k90 s ILE 635 Ca 0.06 -2.02 -0.41 0.00 0.00 0.00 0.00 60.65 58.28 1k90 s ILE 635 Cb 0.00 -3.84 -0.20 0.00 0.01 0.00 0.00 42.46 38.43 1k90 s ILE 635 CO 0.04 -0.83 1.15 0.00 0.00 0.00 0.00 174.94 175.30 1k90 n ALA 636 N 4.61 -3.27 -0.35 9.38 0.00 0.84 -4.82 120.51 126.90 1k90 n ALA 636 Ca -0.03 0.58 0.03 0.00 0.00 0.00 0.00 53.44 54.02 1k90 n ALA 636 Cb 0.41 -1.77 0.18 0.00 0.00 0.00 0.00 19.45 18.27 1k90 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k90 h PRO 637 N 3.29 1.04 0.00 0.00 0.11 -1.74 -0.88 132.00 133.82 1k90 h PRO 637 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1k90 h PRO 637 Cb 1.41 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k90 h PRO 637 CO 0.70 0.69 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1k90 n GLY 638 N -1.35 0.77 0.00 -0.55 0.00 0.05 -4.38 105.19 99.73 1k90 n GLY 638 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1k90 n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k90 n ASN 639 N -1.14 0.00 -2.08 1.61 2.04 -1.01 -4.85 115.26 109.83 1k90 n ASN 639 Ca 0.00 -1.63 -0.11 0.00 -0.44 0.00 0.00 54.58 52.40 1k90 n ASN 639 Cb 0.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 1k90 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1k90 n LYS 640 N -0.62 -1.96 -2.37 -3.83 4.01 -0.34 -4.88 118.16 108.17 1k90 n LYS 640 Ca 0.05 0.57 -0.37 0.00 -0.51 0.00 0.00 58.31 58.05 1k90 n LYS 640 Cb 0.03 -5.03 -0.02 0.00 -0.51 0.00 0.00 35.03 29.49 1k90 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k90 s ALA 641 N -2.34 3.08 -0.56 7.82 0.00 -1.24 -4.59 121.76 123.92 1k90 s ALA 641 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1k90 s ALA 641 Cb 0.00 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 19.93 1k90 s ALA 641 CO 0.00 -0.46 0.36 -0.47 0.00 0.00 0.00 175.76 175.19 1k90 s TYR 642 N -1.53 2.81 -0.34 0.00 5.04 -1.26 -0.11 117.35 121.96 1k90 s TYR 642 Ca 0.59 -2.97 -0.16 0.00 -2.44 0.00 0.00 57.07 52.09 1k90 s TYR 642 Cb -0.27 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.69 1k90 s TYR 642 CO 0.34 -0.68 0.40 0.42 -1.34 0.00 0.00 175.55 174.69 1k90 s ILE 643 N -0.56 5.13 0.45 3.14 1.01 -1.26 -4.90 121.20 124.20 1k90 s ILE 643 Ca 0.22 0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.81 1k90 s ILE 643 Cb -0.14 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 1k90 s ILE 643 CO -0.09 -0.12 0.96 -1.61 0.00 0.00 0.00 174.94 174.08 1k90 s GLU 644 N 2.12 4.18 -0.25 2.79 2.02 -1.26 0.11 118.70 128.41 1k90 s GLU 644 Ca 0.14 1.09 -0.18 0.00 0.02 0.00 0.00 54.97 56.04 1k90 s GLU 644 Cb -0.16 -2.17 0.07 0.00 0.10 0.00 0.00 34.13 31.97 1k90 s GLU 644 CO 0.12 -0.07 0.64 -0.46 0.02 0.00 0.00 175.26 175.51 1k90 s TRP 645 N -2.26 -0.88 -0.13 1.61 -0.11 -1.26 -4.79 118.94 111.12 1k90 s TRP 645 Ca 0.61 1.89 -0.29 0.00 1.22 0.00 0.00 56.10 59.53 1k90 s TRP 645 Cb -0.09 0.44 -0.06 0.00 -1.50 0.00 0.00 33.47 32.26 1k90 s TRP 645 CO 0.16 -0.44 2.12 0.99 -4.62 0.00 0.00 176.95 175.17 1k90 s THR 646 N 1.11 3.03 -0.53 5.86 2.01 -1.26 -4.84 115.64 121.01 1k90 s THR 646 Ca -0.06 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1k90 s THR 646 Cb -0.05 -3.03 0.14 0.00 0.01 0.00 0.00 72.50 69.56 1k90 s THR 646 CO -0.11 -0.02 0.36 -0.62 -0.69 0.00 0.00 174.62 173.54 1k90 s ASP 647 N 6.91 5.46 0.31 3.53 -1.08 -1.26 -4.97 116.67 125.57 1k90 s ASP 647 Ca 0.96 -2.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.73 1k90 s ASP 647 Cb -0.36 -1.91 0.92 0.00 -1.46 0.00 0.00 42.92 40.11 1k90 s ASP 647 CO 0.37 -0.52 1.49 -2.65 0.52 0.00 0.00 175.17 174.38 1k90 n PRO 648 N 4.24 -0.07 -0.07 4.34 -0.02 -1.26 -0.41 135.00 141.75 1k90 n PRO 648 Ca 0.01 1.38 -0.06 0.00 -2.02 0.00 0.00 63.50 62.81 1k90 n PRO 648 Cb 0.40 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1k90 n PRO 648 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1k90 h ILE 649 N 0.00 0.00 -0.77 4.25 2.04 -1.99 -1.10 117.51 119.93 1k90 h ILE 649 Ca 0.65 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.69 1k90 h ILE 649 Cb 1.51 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.47 1k90 h ILE 649 CO -0.83 0.00 0.14 0.74 0.00 0.00 0.00 178.15 178.20 1k90 h THR 650 N -0.17 0.42 -0.13 -0.27 2.02 -1.16 0.13 112.91 113.74 1k90 h THR 650 Ca 0.04 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1k90 h THR 650 Cb 0.27 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1k90 h THR 650 CO -0.28 0.04 0.54 0.50 0.37 0.00 0.00 175.52 176.68 1k90 h LYS 651 N 0.21 0.00 -0.01 6.66 3.64 -0.88 0.40 116.57 126.59 1k90 h LYS 651 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1k90 h LYS 651 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1k90 h LYS 651 CO -0.59 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.59 1k90 n ALA 652 N -1.91 2.48 0.28 5.00 0.00 0.43 -4.51 120.51 122.29 1k90 n ALA 652 Ca 0.01 -0.57 0.15 0.00 0.00 0.00 0.00 53.44 53.03 1k90 n ALA 652 Cb 0.61 -0.24 0.72 0.00 0.00 0.00 0.00 19.45 20.55 1k90 n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1k90 h LYS 653 N 1.40 0.00 0.65 0.00 3.64 0.22 -2.87 116.57 119.60 1k90 h LYS 653 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1k90 h LYS 653 Cb 0.31 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1k90 h LYS 653 CO 0.00 0.00 -0.31 0.82 -2.27 0.00 0.00 179.45 177.69 1k90 h ILE 654 N 0.00 0.00 -0.88 2.00 2.04 -1.79 -3.13 117.51 115.75 1k90 h ILE 654 Ca 0.00 -0.03 -0.50 0.00 1.00 0.00 0.00 64.86 65.33 1k90 h ILE 654 Cb 0.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.12 1k90 h ILE 654 CO 0.00 0.00 0.75 0.59 0.00 0.00 0.00 178.15 179.49 1k90 n ASN 655 N -4.44 6.64 -3.72 1.72 5.03 -1.09 -4.36 115.26 115.05 1k90 n ASN 655 Ca -0.11 -3.06 -0.15 0.00 0.87 0.00 0.00 54.58 52.13 1k90 n ASN 655 Cb 0.34 -1.30 -0.15 0.00 -1.02 0.00 0.00 39.78 37.66 1k90 n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1k90 s THR 656 N -1.40 -0.12 0.19 3.41 2.01 -1.18 -4.42 115.64 114.13 1k90 s THR 656 Ca 0.60 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 1k90 s THR 656 Cb 0.33 -0.23 -0.08 0.00 0.01 0.00 0.00 72.50 72.53 1k90 s THR 656 CO -0.16 0.11 1.14 -0.63 -0.69 0.00 0.00 174.62 174.38 1k90 s ILE 657 N 1.56 3.70 1.34 1.82 1.01 -1.26 -4.65 121.20 124.71 1k90 s ILE 657 Ca -0.05 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 61.89 1k90 s ILE 657 Cb -0.12 -3.95 0.34 0.00 0.01 0.00 0.00 42.46 38.74 1k90 s ILE 657 CO -0.05 0.26 0.98 -2.16 0.00 0.00 0.00 174.94 173.97 1k90 s PRO 658 N -0.48 -2.28 0.16 2.79 0.04 -1.26 -5.06 135.00 128.91 1k90 s PRO 658 Ca 0.50 0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.85 1k90 s PRO 658 Cb -0.31 -1.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1k90 s PRO 658 CO 0.36 -4.47 -0.12 0.99 0.04 0.00 0.00 177.00 173.81 1k90 s THR 659 N -2.44 3.11 0.60 1.26 2.01 -1.26 -4.90 115.64 114.03 1k90 s THR 659 Ca 0.69 -1.61 0.28 0.00 0.31 0.00 0.00 61.69 61.36 1k90 s THR 659 Cb -0.15 -2.51 0.36 0.00 0.01 0.00 0.00 72.50 70.21 1k90 s THR 659 CO 0.59 -0.05 1.79 -1.28 -0.69 0.00 0.00 174.62 174.97 1k90 h SER 660 N 3.13 0.00 0.05 3.53 0.87 -1.85 0.17 113.55 119.44 1k90 h SER 660 Ca -0.47 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.78 1k90 h SER 660 Cb 1.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1k90 h SER 660 CO 0.52 0.00 -1.70 0.00 -0.53 0.00 0.00 176.83 175.13 1k90 n ALA 661 N -2.25 0.88 0.51 6.23 0.00 -1.26 -2.50 120.51 122.13 1k90 n ALA 661 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1k90 n ALA 661 Cb 0.77 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1k90 n ALA 661 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k90 n GLU 662 N -4.02 0.51 0.00 0.00 1.02 0.44 -1.46 120.64 117.14 1k90 n GLU 662 Ca -0.35 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1k90 n GLU 662 Cb 0.85 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1k90 n GLU 662 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1k90 n PHE 663 N 0.44 -0.02 0.30 -0.32 7.35 -0.37 -4.35 117.46 120.49 1k90 n PHE 663 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1k90 n PHE 663 Cb 0.18 0.34 0.68 0.00 0.35 0.00 0.00 39.48 41.04 1k90 n PHE 663 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1k90 h ILE 664 N 0.00 0.04 0.08 -2.13 2.04 -1.41 0.60 117.51 116.73 1k90 h ILE 664 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.56 1k90 h ILE 664 Cb 0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1k90 h ILE 664 CO 0.00 0.00 -1.61 0.11 0.00 0.00 0.00 178.15 176.65 1k90 h LYS 665 N 0.00 0.17 0.00 2.37 1.57 -1.52 -3.27 116.57 115.90 1k90 h LYS 665 Ca 0.03 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 1k90 h LYS 665 Cb 0.95 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1k90 h LYS 665 CO -0.00 0.97 -0.36 -0.91 -0.57 0.00 0.00 179.45 178.58 1k90 h ASN 666 N 0.05 0.00 -0.03 0.86 -0.26 -0.09 -1.03 115.58 115.07 1k90 h ASN 666 Ca -0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 1k90 h ASN 666 Cb 2.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 1k90 h ASN 666 CO 0.13 0.36 0.00 0.18 -1.06 0.00 0.00 177.43 177.04 1k90 n LEU 667 N -3.84 0.22 -0.12 1.61 4.77 -0.17 -2.15 117.00 117.33 1k90 n LEU 667 Ca -0.01 -0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 1k90 n LEU 667 Cb 0.43 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1k90 n LEU 667 CO 0.37 0.05 -1.25 -0.24 -1.33 0.00 0.00 177.39 174.99 1k90 n SER 668 N -0.49 1.74 0.03 -1.43 2.88 -0.40 -4.21 113.62 111.74 1k90 n SER 668 Ca 0.07 0.30 -0.04 0.00 -1.33 0.00 0.00 58.87 57.87 1k90 n SER 668 Cb 0.06 -0.72 0.17 0.00 -0.75 0.00 0.00 64.21 62.97 1k90 n SER 668 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k90 h SER 669 N -0.88 0.45 0.00 -3.46 0.02 -1.56 -0.40 113.55 107.71 1k90 h SER 669 Ca -0.55 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1k90 h SER 669 Cb 1.46 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1k90 h SER 669 CO -0.33 0.78 0.00 0.00 -1.14 0.00 0.00 176.83 176.14 1k90 n ILE 670 N -4.05 0.00 0.41 3.27 3.06 -0.91 -0.17 119.36 120.96 1k90 n ILE 670 Ca -0.01 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.28 1k90 n ILE 670 Cb 0.47 -0.47 -0.01 0.00 0.54 0.00 0.00 39.64 40.17 1k90 n ILE 670 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1k90 n ARG 671 N -0.77 2.55 0.02 9.51 0.63 -0.18 -4.35 116.66 124.08 1k90 n ARG 671 Ca 0.08 -0.46 -0.08 0.00 -0.92 0.00 0.00 57.85 56.47 1k90 n ARG 671 Cb 0.04 -1.03 -0.13 0.00 0.45 0.00 0.00 32.46 31.79 1k90 n ARG 671 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k90 h ARG 672 N 0.81 0.00 -1.08 -0.14 2.47 -0.38 -3.26 114.38 112.79 1k90 h ARG 672 Ca 0.00 -0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.50 1k90 h ARG 672 Cb 0.29 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.49 1k90 h ARG 672 CO 0.00 0.75 0.27 0.43 0.56 0.00 0.00 179.97 181.99 1k90 n SER 673 N -3.20 3.72 -3.53 7.04 7.64 -1.19 -4.73 113.62 119.36 1k90 n SER 673 Ca -0.08 -2.68 -0.10 0.00 1.01 0.00 0.00 58.87 57.02 1k90 n SER 673 Cb 0.99 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1k90 n SER 673 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1k90 s SER 674 N 0.14 -0.44 0.00 6.43 0.15 -1.23 -5.10 113.70 113.66 1k90 s SER 674 Ca 0.23 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1k90 s SER 674 Cb 0.19 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1k90 s SER 674 CO 0.04 -0.91 0.00 -3.20 1.20 0.00 0.00 173.24 170.37 1k90 n ASN 675 N -0.36 0.00 -3.64 5.45 5.15 -1.26 -4.87 115.26 115.73 1k90 n ASN 675 Ca -0.12 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.84 1k90 n ASN 675 Cb 0.63 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.81 1k90 n ASN 675 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1k90 s VAL 676 N 0.00 0.00 0.00 3.44 0.11 -1.26 -4.76 120.40 117.93 1k90 s VAL 676 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1k90 s VAL 676 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1k90 s VAL 676 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1k90 n GLY 677 N 3.59 -1.85 2.81 6.54 0.00 -1.26 -5.12 105.19 109.90 1k90 n GLY 677 Ca -0.18 0.54 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1k90 n GLY 677 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k90 s VAL 678 N -0.08 0.75 0.33 1.61 1.01 -1.26 -5.00 120.40 117.76 1k90 s VAL 678 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1k90 s VAL 678 Cb 0.00 -1.05 0.26 0.00 0.00 0.00 0.00 36.38 35.59 1k90 s VAL 678 CO 0.00 0.02 1.98 0.22 0.00 0.00 0.00 175.10 177.32 1k90 h TYR 679 N 8.20 0.89 -3.40 5.22 3.20 -1.99 -3.40 116.97 125.69 1k90 h TYR 679 Ca -0.20 0.01 -0.52 0.00 3.14 0.00 0.00 58.73 61.16 1k90 h TYR 679 Cb 1.12 -0.30 0.03 0.00 1.54 0.00 0.00 36.73 39.12 1k90 h TYR 679 CO 0.39 0.57 0.63 0.21 -1.64 0.00 0.00 178.16 178.32 1k90 s LYS 680 N -5.77 4.41 -0.73 1.82 2.20 -1.26 -3.60 119.74 116.82 1k90 s LYS 680 Ca -0.11 2.00 -0.01 0.00 -0.36 0.00 0.00 55.97 57.50 1k90 s LYS 680 Cb 0.18 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1k90 s LYS 680 CO 0.78 -0.21 0.69 -3.47 -0.36 0.00 0.00 175.35 172.77 1k90 n ASP 681 N 2.65 -7.70 0.28 1.43 -0.08 -1.26 -4.89 116.55 106.98 1k90 n ASP 681 Ca 0.06 -0.07 0.17 0.00 -1.51 0.00 0.00 54.79 53.44 1k90 n ASP 681 Cb 0.43 -5.18 0.74 0.00 2.34 0.00 0.00 41.12 39.45 1k90 n ASP 681 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1k90 h SER 682 N 0.51 0.00 -1.13 1.67 0.02 -1.77 -3.45 113.55 109.40 1k90 h SER 682 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1k90 h SER 682 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1k90 h SER 682 CO 0.30 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 1k90 n GLY 683 N -0.12 1.53 0.10 -3.77 0.00 -1.26 -5.04 105.19 96.63 1k90 n GLY 683 Ca 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1k90 n GLY 683 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k90 n ASP 684 N 0.00 0.33 -4.67 1.61 -0.08 -1.26 -4.91 116.55 107.57 1k90 n ASP 684 Ca 0.00 0.01 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1k90 n ASP 684 Cb 0.00 0.73 -0.03 0.00 2.34 0.00 0.00 41.12 44.17 1k90 n ASP 684 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1k90 s LYS 685 N -2.50 4.23 -0.08 -0.67 1.02 -1.26 -4.88 119.74 115.60 1k90 s LYS 685 Ca -0.13 2.02 0.10 0.00 0.02 0.00 0.00 55.97 57.98 1k90 s LYS 685 Cb 0.07 -3.76 0.41 0.00 -0.52 0.00 0.00 37.83 34.03 1k90 s LYS 685 CO 0.80 -0.71 1.23 -0.25 -0.92 0.00 0.00 175.35 175.50 1k90 n ASP 686 N 6.23 3.01 -0.72 2.83 8.00 -1.26 -3.87 116.55 130.76 1k90 n ASP 686 Ca 0.15 -2.30 0.10 0.00 0.71 0.00 0.00 54.79 53.44 1k90 n ASP 686 Cb 0.43 -0.47 0.29 0.00 -0.02 0.00 0.00 41.12 41.36 1k90 n ASP 686 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k90 n GLU 687 N 0.48 1.93 -3.65 -1.24 1.02 -1.26 -4.86 120.64 113.07 1k90 n GLU 687 Ca 0.14 -1.42 -0.15 0.00 -0.02 0.00 0.00 57.16 55.71 1k90 n GLU 687 Cb 0.59 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 1k90 n GLU 687 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1k90 s PHE 688 N -1.63 -0.40 -0.27 -0.32 5.36 -1.25 -5.08 117.98 114.39 1k90 s PHE 688 Ca 0.32 0.65 0.12 0.00 -0.96 0.00 0.00 56.93 57.06 1k90 s PHE 688 Cb 0.17 0.24 0.35 0.00 -0.34 0.00 0.00 43.02 43.44 1k90 s PHE 688 CO 0.25 -0.50 1.42 0.00 -1.46 0.00 0.00 175.22 174.94 1k90 n ALA 689 N 1.08 3.03 -3.84 11.12 0.00 -1.26 -4.49 120.51 126.15 1k90 n ALA 689 Ca -0.20 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.10 1k90 n ALA 689 Cb 0.57 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1k90 n ALA 689 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1k90 s LYS 690 N -0.13 1.74 0.01 0.00 2.20 -1.26 -4.05 119.74 118.25 1k90 s LYS 690 Ca 0.09 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1k90 s LYS 690 Cb 0.36 0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 37.27 1k90 s LYS 690 CO -0.10 -0.80 -0.09 0.15 -0.36 0.00 0.00 175.35 174.15 1k90 s LYS 691 N -3.88 0.66 -0.06 4.03 1.02 -1.26 -5.00 119.74 115.26 1k90 s LYS 691 Ca 0.11 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.34 1k90 s LYS 691 Cb -0.06 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.59 1k90 s LYS 691 CO 0.06 0.16 1.66 -2.00 -0.92 0.00 0.00 175.35 174.31 1k90 s GLU 692 N -0.65 4.17 -0.70 1.68 2.56 -1.26 -2.41 118.70 122.10 1k90 s GLU 692 Ca 0.00 2.18 -0.03 0.00 0.00 0.00 0.00 54.97 57.12 1k90 s GLU 692 Cb -0.05 -3.99 0.00 0.00 2.00 0.00 0.00 34.13 32.09 1k90 s GLU 692 CO 0.00 -0.86 0.40 0.43 -0.56 0.00 0.00 175.26 174.67 1k90 n SER 693 N 7.19 -3.85 0.00 -1.70 7.64 -1.26 -4.08 113.62 117.56 1k90 n SER 693 Ca 0.17 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1k90 n SER 693 Cb 0.43 -2.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.01 1k90 n SER 693 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1k90 n VAL 694 N -3.78 0.00 0.23 0.44 0.24 -1.01 -3.86 118.33 110.60 1k90 n VAL 694 Ca -0.03 0.62 0.12 0.00 -2.04 0.00 0.00 64.34 63.01 1k90 n VAL 694 Cb 0.55 -1.42 0.19 0.00 -1.47 0.00 0.00 33.84 31.69 1k90 n VAL 694 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1k90 h LYS 695 N 0.00 0.00 0.00 7.34 3.64 -1.95 -3.27 116.57 122.34 1k90 h LYS 695 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k90 h LYS 695 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k90 h LYS 695 CO 0.00 0.00 0.36 0.87 -2.27 0.00 0.00 179.45 178.41 1k90 h LYS 696 N 0.00 0.00 0.31 1.90 1.57 -1.98 -0.62 116.57 117.75 1k90 h LYS 696 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k90 h LYS 696 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1k90 h LYS 696 CO 0.00 0.00 -0.15 0.82 -0.57 0.00 0.00 179.45 179.55 1k90 h ILE 697 N 0.00 0.67 -0.32 1.86 2.04 -1.66 -0.71 117.51 119.39 1k90 h ILE 697 Ca 0.00 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1k90 h ILE 697 Cb 0.73 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1k90 h ILE 697 CO 0.00 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.39 1k90 h ALA 698 N -0.28 0.37 -0.04 1.87 0.00 -1.38 -1.56 119.26 118.24 1k90 h ALA 698 Ca -0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1k90 h ALA 698 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1k90 h ALA 698 CO 0.07 -0.27 -0.17 0.78 0.00 0.00 0.00 179.25 179.65 1k90 h GLY 699 N 0.26 -0.20 2.00 0.00 0.00 -1.49 0.14 103.07 103.79 1k90 h GLY 699 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1k90 h GLY 699 CO -0.13 -0.16 0.00 -1.72 0.00 0.00 0.00 176.54 174.52 1k90 n TYR 700 N -5.31 0.22 -0.06 5.60 0.53 -0.27 -1.65 117.16 116.22 1k90 n TYR 700 Ca -0.04 0.10 -0.06 0.00 -1.02 0.00 0.00 57.90 56.88 1k90 n TYR 700 Cb 0.23 -0.67 -0.05 0.00 -1.03 0.00 0.00 39.34 37.82 1k90 n TYR 700 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 1k90 h LEU 701 N 0.00 0.00 -2.20 7.72 3.38 0.27 -3.26 115.31 121.22 1k90 h LEU 701 Ca 0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1k90 h LEU 701 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1k90 h LEU 701 CO 0.00 0.74 -0.03 0.77 0.09 0.00 0.00 178.44 180.00 1k90 h SER 702 N -1.00 0.00 0.55 -0.43 4.64 -1.04 0.32 113.55 116.59 1k90 h SER 702 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1k90 h SER 702 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1k90 h SER 702 CO -0.01 0.03 0.00 0.44 -0.87 0.00 0.00 176.83 176.42 1k90 h ASP 703 N 0.00 0.00 0.15 4.97 3.45 -1.41 -1.22 116.42 122.36 1k90 h ASP 703 Ca -0.00 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.19 1k90 h ASP 703 Cb 0.07 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.87 1k90 h ASP 703 CO 0.00 0.00 -1.16 0.22 -1.57 0.00 0.00 179.24 176.73 1k90 h TYR 704 N 0.00 0.88 -2.93 4.55 3.20 -0.40 -3.36 116.97 118.90 1k90 h TYR 704 Ca 0.00 -0.59 -0.80 0.00 3.14 0.00 0.00 58.73 60.48 1k90 h TYR 704 Cb 0.27 -0.06 -0.27 0.00 1.54 0.00 0.00 36.73 38.22 1k90 h TYR 704 CO 0.00 1.44 0.82 0.66 -1.64 0.00 0.00 178.16 179.44 1k90 n TYR 705 N -3.88 3.18 -3.79 -3.82 0.53 -0.46 -4.95 117.16 103.96 1k90 n TYR 705 Ca -0.14 -2.96 -0.36 0.00 -1.02 0.00 0.00 57.90 53.41 1k90 n TYR 705 Cb 0.95 -1.46 -0.13 0.00 -1.03 0.00 0.00 39.34 37.68 1k90 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1k90 s ASN 706 N -0.62 4.94 0.52 7.72 3.84 -1.23 -4.91 114.94 125.20 1k90 s ASN 706 Ca 0.32 -0.26 0.20 0.00 0.21 0.00 0.00 52.86 53.33 1k90 s ASN 706 Cb 0.01 -1.88 1.36 0.00 -0.55 0.00 0.00 41.25 40.19 1k90 s ASN 706 CO 0.05 -0.03 2.13 0.28 -2.79 0.00 0.00 177.10 176.74 1k90 h SER 707 N 8.21 0.00 0.00 -4.21 0.02 -1.93 -2.56 113.55 113.08 1k90 h SER 707 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1k90 h SER 707 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1k90 h SER 707 CO 0.58 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 176.33 1k90 n ALA 708 N -2.45 1.42 1.12 3.77 0.00 -1.26 -2.16 120.51 120.94 1k90 n ALA 708 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1k90 n ALA 708 Cb 0.14 -0.95 0.60 0.00 0.00 0.00 0.00 19.45 19.24 1k90 n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k90 n ASN 709 N -0.86 0.11 0.26 0.00 5.03 -0.96 -3.71 115.26 115.12 1k90 n ASN 709 Ca 0.00 0.18 0.14 0.00 0.87 0.00 0.00 54.58 55.77 1k90 n ASN 709 Cb 0.00 -0.33 0.69 0.00 -1.02 0.00 0.00 39.78 39.13 1k90 n ASN 709 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 1k90 h HIS 710 N 0.05 0.00 0.00 3.10 2.07 -1.72 -1.95 115.15 116.70 1k90 h HIS 710 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1k90 h HIS 710 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1k90 h HIS 710 CO 0.00 0.11 0.00 0.44 -3.07 0.00 0.00 177.93 175.41 1k90 n ILE 711 N -3.37 0.24 -3.52 6.12 -5.35 -1.24 -4.80 119.36 107.44 1k90 n ILE 711 Ca -0.01 0.06 -0.24 0.00 -0.27 0.00 0.00 62.75 62.29 1k90 n ILE 711 Cb 0.29 -0.66 0.03 0.00 -1.74 0.00 0.00 39.64 37.57 1k90 n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1k90 s PHE 712 N -2.63 1.33 0.30 4.28 0.40 -0.73 -5.14 117.98 115.79 1k90 s PHE 712 Ca 0.21 -0.84 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1k90 s PHE 712 Cb 0.16 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1k90 s PHE 712 CO 0.38 -0.87 0.41 -1.54 0.70 0.00 0.00 175.22 174.30 1k90 s SER 713 N -4.50 6.01 0.06 1.36 1.04 -1.26 -4.91 113.70 111.50 1k90 s SER 713 Ca 0.46 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1k90 s SER 713 Cb -0.04 -1.41 -0.05 0.00 0.10 0.00 0.00 66.02 64.63 1k90 s SER 713 CO 0.29 -0.30 1.25 1.56 0.98 0.00 0.00 173.24 177.02 1k90 h GLN 714 N 1.03 -0.14 -0.96 4.02 1.08 -1.98 0.24 115.11 118.40 1k90 h GLN 714 Ca -0.48 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.04 1k90 h GLN 714 Cb 1.25 0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 28.55 1k90 h GLN 714 CO 0.56 -0.09 0.34 1.05 -0.95 0.00 0.00 178.83 179.73 1k90 h GLU 715 N -0.15 0.14 0.11 1.46 9.09 -1.98 0.61 114.58 123.87 1k90 h GLU 715 Ca 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.44 1k90 h GLU 715 Cb 0.26 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1k90 h GLU 715 CO -0.31 0.10 -0.06 -0.22 0.05 0.00 0.00 179.01 178.57 1k90 h LYS 716 N 0.15 -0.15 0.02 1.06 1.63 -1.22 -2.02 116.57 116.04 1k90 h LYS 716 Ca 0.67 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.50 1k90 h LYS 716 Cb 1.52 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.16 1k90 h LYS 716 CO -0.72 0.08 -0.15 0.87 -3.45 0.00 0.00 179.45 176.08 1k90 h LYS 717 N -0.37 -0.25 -0.07 1.90 1.57 0.28 -0.30 116.57 119.33 1k90 h LYS 717 Ca -0.02 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1k90 h LYS 717 Cb 0.30 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1k90 h LYS 717 CO 0.03 -0.17 -0.18 0.00 -0.57 0.00 0.00 179.45 178.56 1k90 h ARG 718 N -0.26 -0.17 -0.17 3.15 3.08 0.00 0.52 114.38 120.53 1k90 h ARG 718 Ca 0.04 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1k90 h ARG 718 Cb 0.31 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1k90 h ARG 718 CO -0.13 -0.11 -0.37 0.87 -1.07 0.00 0.00 179.97 179.16 1k90 h LYS 719 N -0.17 -0.32 -0.65 0.04 6.56 -1.25 0.88 116.57 121.65 1k90 h LYS 719 Ca 0.01 0.02 0.15 0.00 -1.06 0.00 0.00 60.65 59.78 1k90 h LYS 719 Cb 0.21 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 31.91 1k90 h LYS 719 CO -0.16 -0.22 0.45 -0.84 -2.06 0.00 0.00 179.45 176.62 1k90 h ILE 720 N -0.34 0.76 0.00 1.86 3.07 -0.89 0.50 117.51 122.47 1k90 h ILE 720 Ca 0.03 -0.07 -0.00 0.00 1.55 0.00 0.00 64.86 66.37 1k90 h ILE 720 Cb 0.43 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 1k90 h ILE 720 CO -0.34 0.04 -0.00 0.28 -1.05 0.00 0.00 178.15 177.07 1k90 h SER 721 N 0.20 -0.00 -0.70 2.16 0.02 0.13 -0.41 113.55 114.96 1k90 h SER 721 Ca 0.32 -0.87 0.15 0.00 -0.84 0.00 0.00 61.79 60.54 1k90 h SER 721 Cb 0.96 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.39 1k90 h SER 721 CO -0.06 0.88 0.14 0.40 -1.14 0.00 0.00 176.83 177.05 1k90 h ILE 722 N -0.89 0.53 -0.09 3.27 2.04 0.16 0.86 117.51 123.38 1k90 h ILE 722 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1k90 h ILE 722 Cb 0.88 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1k90 h ILE 722 CO 0.00 0.04 0.02 0.15 0.00 0.00 0.00 178.15 178.36 1k90 h PHE 723 N 0.24 0.16 -0.37 1.37 3.57 -1.00 -1.90 116.94 119.02 1k90 h PHE 723 Ca 0.39 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.97 1k90 h PHE 723 Cb 0.65 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1k90 h PHE 723 CO -0.28 0.35 0.34 0.00 -2.23 0.00 0.00 178.31 176.49 1k90 h ARG 724 N -0.08 0.00 -0.00 1.11 3.08 0.10 -0.35 114.38 118.25 1k90 h ARG 724 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1k90 h ARG 724 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1k90 h ARG 724 CO 0.00 0.00 -0.00 0.78 -1.07 0.00 0.00 179.97 179.68 1k90 h GLY 725 N 0.00 0.00 2.00 0.04 0.00 0.13 -3.01 103.07 102.24 1k90 h GLY 725 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1k90 h GLY 725 CO -0.00 0.01 0.00 1.39 0.00 0.00 0.00 176.54 177.93 1k90 n ILE 726 N -4.77 0.97 0.13 2.60 5.41 -0.28 -2.06 119.36 121.36 1k90 n ILE 726 Ca -0.09 0.59 -0.07 0.00 1.00 0.00 0.00 62.75 64.19 1k90 n ILE 726 Cb 0.33 -1.58 -0.03 0.00 -0.71 0.00 0.00 39.64 37.65 1k90 n ILE 726 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1k90 h GLN 727 N 0.00 -0.41 0.00 0.38 4.20 -1.05 -2.32 115.11 115.91 1k90 h GLN 727 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1k90 h GLN 727 Cb 0.11 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1k90 h GLN 727 CO 0.00 -0.27 0.00 0.00 -0.67 0.00 0.00 178.83 177.89 1k90 h ALA 728 N -1.11 1.00 0.37 3.87 0.00 -1.48 -2.56 119.26 119.35 1k90 h ALA 728 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k90 h ALA 728 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k90 h ALA 728 CO 0.07 0.00 -0.18 -0.92 0.00 0.00 0.00 179.25 178.22 1k90 h TYR 729 N 0.00 -0.46 -0.53 0.00 3.20 -1.44 -2.99 116.97 114.76 1k90 h TYR 729 Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1k90 h TYR 729 Cb 0.23 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 1k90 h TYR 729 CO 0.00 -0.15 0.18 -0.97 -1.64 0.00 0.00 178.16 175.58 1k90 h ASN 730 N -1.00 0.16 -0.40 -2.11 -0.73 -1.13 0.52 115.58 110.88 1k90 h ASN 730 Ca -0.05 0.07 0.09 0.00 1.87 0.00 0.00 56.30 58.28 1k90 h ASN 730 Cb 0.52 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 1k90 h ASN 730 CO 0.08 0.11 0.28 -0.33 -0.37 0.00 0.00 177.43 177.20 1k90 h GLU 731 N 0.35 0.15 0.08 6.67 4.39 -1.54 0.41 114.58 125.08 1k90 h GLU 731 Ca 0.26 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.75 1k90 h GLU 731 Cb 0.30 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1k90 h GLU 731 CO -0.28 0.10 -1.01 0.82 -1.16 0.00 0.00 179.01 177.48 1k90 h ILE 732 N 0.15 1.25 -0.89 3.13 2.04 -1.02 -3.09 117.51 119.08 1k90 h ILE 732 Ca 0.19 -2.38 0.24 0.00 1.00 0.00 0.00 64.86 63.90 1k90 h ILE 732 Cb 0.54 2.86 -0.15 0.00 -0.74 0.00 0.00 36.82 39.34 1k90 h ILE 732 CO -0.03 0.63 0.20 -0.33 0.00 0.00 0.00 178.15 178.62 1k90 h GLU 733 N -0.55 0.16 -0.41 2.37 4.39 0.82 0.23 114.58 121.58 1k90 h GLU 733 Ca -0.22 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 1k90 h GLU 733 Cb 1.53 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 1k90 h GLU 733 CO 0.02 0.10 -0.10 -0.97 -1.16 0.00 0.00 179.01 176.91 1k90 h ASN 734 N 0.16 0.80 0.10 1.42 -1.24 -1.05 -2.66 115.58 113.11 1k90 h ASN 734 Ca 0.56 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1k90 h ASN 734 Cb 1.14 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1k90 h ASN 734 CO -0.70 0.97 0.00 0.58 -1.29 0.00 0.00 177.43 176.99 1k90 h VAL 735 N 0.61 0.00 -0.49 2.57 2.07 -0.48 0.53 116.25 121.05 1k90 h VAL 735 Ca 0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1k90 h VAL 735 Cb 0.62 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1k90 h VAL 735 CO 0.04 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.81 1k90 n LEU 736 N -2.70 2.63 -0.07 2.57 4.77 -0.72 -3.93 117.00 119.55 1k90 n LEU 736 Ca -0.02 -1.32 0.01 0.00 -0.03 0.00 0.00 56.01 54.65 1k90 n LEU 736 Cb 0.08 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1k90 n LEU 736 CO 0.16 0.66 0.44 0.29 -1.33 0.00 0.00 177.39 177.61 1k90 n LYS 737 N 0.94 1.81 0.00 3.23 4.01 0.18 -4.91 118.16 123.43 1k90 n LYS 737 Ca 0.16 -1.26 0.00 0.00 -0.51 0.00 0.00 58.31 56.70 1k90 n LYS 737 Cb 0.41 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 1k90 n LYS 737 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1k90 n SER 738 N -0.24 0.00 -4.04 4.39 7.64 -1.23 -5.07 113.62 115.07 1k90 n SER 738 Ca 0.01 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.65 1k90 n SER 738 Cb 0.20 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.23 1k90 n SER 738 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k90 s LYS 739 N 0.59 1.68 0.00 1.43 2.20 -1.26 -4.99 119.74 119.40 1k90 s LYS 739 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1k90 s LYS 739 Cb 0.00 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 1k90 s LYS 739 CO 0.00 0.07 0.35 1.04 -0.36 0.00 0.00 175.35 176.45 1k90 n GLN 740 N 3.65 0.45 0.00 4.03 3.00 -1.26 -4.72 117.38 122.53 1k90 n GLN 740 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1k90 n GLN 740 Cb 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.51 1k90 n GLN 740 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1k90 n ILE 741 N 0.55 0.00 -2.86 5.09 5.41 -1.26 -3.98 119.36 122.31 1k90 n ILE 741 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 1k90 n ILE 741 Cb 0.17 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.04 1k90 n ILE 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k90 s ALA 742 N 0.00 3.35 0.00 -1.39 0.00 -1.26 -4.98 121.76 117.48 1k90 s ALA 742 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1k90 s ALA 742 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1k90 s ALA 742 CO 0.00 0.24 0.24 -2.30 0.00 0.00 0.00 175.76 173.94 1k90 n PRO 743 N 1.24 0.00 -2.48 0.00 -0.02 -1.26 -3.30 135.00 129.19 1k90 n PRO 743 Ca -0.02 0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 1k90 n PRO 743 Cb 0.49 -0.41 0.03 0.00 -0.02 0.00 0.00 33.50 33.58 1k90 n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1k90 n GLU 744 N -1.28 2.56 0.27 -0.52 1.02 -1.26 -4.55 120.64 116.88 1k90 n GLU 744 Ca 0.00 -3.87 0.13 0.00 -0.02 0.00 0.00 57.16 53.40 1k90 n GLU 744 Cb 0.00 -1.88 0.74 0.00 -0.02 0.00 0.00 31.44 30.28 1k90 n GLU 744 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1k90 h TYR 745 N 2.55 0.00 0.00 -0.32 -1.99 -1.88 1.19 116.97 116.51 1k90 h TYR 745 Ca 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 1k90 h TYR 745 Cb 1.26 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.99 1k90 h TYR 745 CO 0.68 0.11 -0.07 -0.22 -0.00 0.00 0.00 178.16 178.66 1k90 h LYS 746 N 0.00 0.00 0.00 4.88 3.11 -1.80 0.37 116.57 123.13 1k90 h LYS 746 Ca -0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.67 1k90 h LYS 746 Cb 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1k90 h LYS 746 CO 0.01 0.07 -0.79 -0.97 -2.81 0.00 0.00 179.45 174.97 1k90 h ASN 747 N 0.00 0.00 0.42 4.20 -0.00 0.11 -0.52 115.58 119.79 1k90 h ASN 747 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.07 1k90 h ASN 747 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 1k90 h ASN 747 CO 0.01 0.79 -1.00 0.22 -0.00 0.00 0.00 177.43 177.44 1k90 h TYR 748 N 0.00 0.55 0.00 0.67 3.20 -0.76 -3.01 116.97 117.62 1k90 h TYR 748 Ca -0.01 -0.32 -0.18 0.00 3.14 0.00 0.00 58.73 61.36 1k90 h TYR 748 Cb 1.39 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 1k90 h TYR 748 CO 0.00 1.16 -0.88 0.74 -1.64 0.00 0.00 178.16 177.54 1k90 h PHE 749 N 0.18 0.00 0.00 -3.82 0.05 -1.27 -1.59 116.94 110.49 1k90 h PHE 749 Ca -0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.70 1k90 h PHE 749 Cb 1.66 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.61 1k90 h PHE 749 CO 0.06 0.82 0.00 0.00 -0.18 0.00 0.00 178.31 179.01 1k90 n GLN 750 N -3.28 0.08 -0.09 1.51 10.64 -0.21 -2.41 117.38 123.63 1k90 n GLN 750 Ca -0.00 0.21 -0.22 0.00 -1.83 0.00 0.00 57.00 55.16 1k90 n GLN 750 Cb 0.87 -1.63 -0.12 0.00 -0.86 0.00 0.00 30.24 28.51 1k90 n GLN 750 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1k90 h TYR 751 N 0.00 0.06 -0.10 2.61 3.20 -1.34 -3.19 116.97 118.21 1k90 h TYR 751 Ca 0.00 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1k90 h TYR 751 Cb 0.42 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1k90 h TYR 751 CO 0.00 1.53 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.81 1k90 h LEU 752 N -0.87 -0.51 -2.05 2.82 3.38 -1.21 0.30 115.31 117.18 1k90 h LEU 752 Ca -0.36 0.09 0.12 0.00 0.09 0.00 0.00 57.88 57.82 1k90 h LEU 752 Cb 1.39 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 1k90 h LEU 752 CO -0.17 -0.22 0.35 0.11 0.09 0.00 0.00 178.44 178.60 1k90 h LYS 753 N -0.22 0.00 0.19 1.13 1.57 -1.66 0.65 116.57 118.24 1k90 h LYS 753 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1k90 h LYS 753 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1k90 h LYS 753 CO -0.23 0.00 -0.09 1.49 -0.57 0.00 0.00 179.45 180.05 1k90 h GLU 754 N 0.00 -0.25 0.29 3.15 4.81 -0.45 -2.24 114.58 119.89 1k90 h GLU 754 Ca 0.19 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1k90 h GLU 754 Cb 0.89 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1k90 h GLU 754 CO -0.00 0.12 -0.14 0.00 -0.73 0.00 0.00 179.01 178.26 1k90 h ARG 755 N -0.67 -0.38 -0.97 1.92 3.08 0.50 -2.99 114.38 114.87 1k90 h ARG 755 Ca -0.03 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1k90 h ARG 755 Cb 0.48 0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.50 1k90 h ARG 755 CO 0.04 -0.13 -0.56 -0.89 -1.07 0.00 0.00 179.97 177.36 1k90 n ILE 756 N -5.18 -0.65 -0.25 2.04 2.08 0.21 -0.14 119.36 117.47 1k90 n ILE 756 Ca -0.10 2.34 0.05 0.00 0.56 0.00 0.00 62.75 65.61 1k90 n ILE 756 Cb 0.23 -2.91 0.17 0.00 -0.75 0.00 0.00 39.64 36.38 1k90 n ILE 756 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1k90 h THR 757 N 0.00 0.47 -0.49 1.39 2.02 -1.38 0.61 112.91 115.52 1k90 h THR 757 Ca 0.17 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1k90 h THR 757 Cb 0.41 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1k90 h THR 757 CO -0.92 0.04 0.30 0.78 0.37 0.00 0.00 175.52 176.10 1k90 h ASN 758 N 0.21 0.50 0.53 4.18 2.35 -0.39 0.24 115.58 123.19 1k90 h ASN 758 Ca 0.41 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.13 1k90 h ASN 758 Cb 0.71 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.97 1k90 h ASN 758 CO -0.55 0.36 -0.25 -0.61 -1.65 0.00 0.00 177.43 174.72 1k90 h GLN 759 N 0.61 -0.68 -0.66 0.81 5.75 -0.36 0.21 115.11 120.79 1k90 h GLN 759 Ca 0.19 0.05 0.14 0.00 -0.15 0.00 0.00 58.65 58.88 1k90 h GLN 759 Cb -0.01 0.15 -0.12 0.00 1.07 0.00 0.00 27.48 28.58 1k90 h GLN 759 CO -0.08 -0.38 -0.08 0.28 -2.65 0.00 0.00 178.83 175.93 1k90 h VAL 760 N -0.93 0.39 -0.72 2.39 2.07 -0.74 0.51 116.25 119.22 1k90 h VAL 760 Ca -0.07 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1k90 h VAL 760 Cb 0.62 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1k90 h VAL 760 CO 0.12 0.01 0.29 -0.61 0.02 0.00 0.00 177.57 177.40 1k90 h GLN 761 N 0.05 1.07 0.36 1.57 5.75 -0.42 -2.27 115.11 121.22 1k90 h GLN 761 Ca 0.34 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1k90 h GLN 761 Cb 0.55 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1k90 h GLN 761 CO -0.63 0.87 -0.36 1.25 -2.65 0.00 0.00 178.83 177.31 1k90 h LEU 762 N 1.05 -0.99 -0.85 -2.39 5.85 0.33 0.79 115.31 119.10 1k90 h LEU 762 Ca 0.24 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.15 1k90 h LEU 762 Cb 0.20 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1k90 h LEU 762 CO -0.02 -0.48 0.47 -0.07 -0.34 0.00 0.00 178.44 178.01 1k90 h LEU 763 N -0.72 0.65 -0.61 2.25 3.38 -1.13 -1.16 115.31 117.97 1k90 h LEU 763 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1k90 h LEU 763 Cb 0.62 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1k90 h LEU 763 CO -0.05 0.35 0.38 -0.07 0.09 0.00 0.00 178.44 179.14 1k90 h LEU 764 N 0.76 0.62 -0.52 1.67 3.38 -1.13 -1.48 115.31 118.61 1k90 h LEU 764 Ca 0.42 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1k90 h LEU 764 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1k90 h LEU 764 CO -0.28 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.04 1k90 n THR 765 N -4.72 0.00 0.36 0.22 -2.24 0.25 -1.11 114.28 107.04 1k90 n THR 765 Ca 0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1k90 n THR 765 Cb 0.07 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1k90 n THR 765 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1k90 n HIS 766 N -0.08 0.00 0.00 4.78 8.25 -0.56 -4.84 115.22 122.77 1k90 n HIS 766 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1k90 n HIS 766 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1k90 n HIS 766 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1k90 n GLN 767 N -0.24 0.00 0.00 -0.41 1.13 -0.27 -5.12 117.38 112.47 1k90 n GLN 767 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1k90 n GLN 767 Cb 0.17 -0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1k90 n GLN 767 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1k90 n LYS 768 N -1.66 0.71 0.00 -1.09 3.00 -1.21 -5.17 118.16 112.74 1k90 n LYS 768 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k90 n LYS 768 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 34.96 1k90 n LYS 768 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1k90 n PHE 773 N -0.06 0.00 -0.32 5.64 7.35 -1.26 -4.87 117.46 123.93 1k90 n PHE 773 Ca 0.00 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.92 1k90 n PHE 773 Cb 0.00 0.00 0.51 0.00 0.35 0.00 0.00 39.48 40.34 1k90 n PHE 773 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1k90 h LYS 774 N 0.00 0.37 -0.52 -4.13 1.79 -1.99 0.66 116.57 112.75 1k90 h LYS 774 Ca 0.00 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1k90 h LYS 774 Cb 0.00 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1k90 h LYS 774 CO 0.00 0.25 0.03 1.37 -1.08 0.00 0.00 179.45 180.02 1k90 h LEU 775 N 0.38 0.88 -1.90 2.94 -0.00 -2.07 -2.12 115.31 113.43 1k90 h LEU 775 Ca 0.60 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1k90 h LEU 775 Cb 1.53 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1k90 h LEU 775 CO -0.29 0.96 0.00 0.18 -0.00 0.00 0.00 178.44 179.28 1k90 n LEU 776 N -4.32 2.80 -0.08 0.17 4.32 0.19 -3.79 117.00 116.30 1k90 n LEU 776 Ca 0.01 -1.41 -0.08 0.00 -0.02 0.00 0.00 56.01 54.51 1k90 n LEU 776 Cb 0.30 -0.43 -0.12 0.00 -1.62 0.00 0.00 43.42 41.56 1k90 n LEU 776 CO 0.42 0.49 -1.01 0.00 -1.22 0.00 0.00 177.39 176.07 1k90 n TYR 777 N 0.50 0.00 1.64 -1.77 9.36 0.11 -4.33 117.16 122.66 1k90 n TYR 777 Ca 0.14 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.49 1k90 n TYR 777 Cb 0.54 -0.75 0.78 0.00 -0.63 0.00 0.00 39.34 39.28 1k90 n TYR 777 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1k90 n LYS 778 N -2.61 0.80 0.00 2.98 4.76 -1.06 -2.08 118.16 120.96 1k90 n LYS 778 Ca -0.26 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.30 1k90 n LYS 778 Cb 0.98 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.80 1k90 n LYS 778 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1k90 n GLN 779 N -1.02 0.72 -4.49 1.97 6.02 -1.26 -4.89 117.38 114.43 1k90 n GLN 779 Ca 0.19 -0.53 -0.33 0.00 -0.01 0.00 0.00 57.00 56.32 1k90 n GLN 779 Cb 0.10 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 1k90 n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k90 s LEU 780 N -2.65 3.28 -0.13 1.08 1.02 -0.88 -4.94 118.68 115.45 1k90 s LEU 780 Ca 0.17 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.31 1k90 s LEU 780 Cb 0.18 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1k90 s LEU 780 CO 0.63 0.33 -0.20 0.21 0.02 0.00 0.00 176.35 177.33 1k90 s ASN 781 N -1.13 3.33 -0.50 2.29 3.84 -1.26 -5.01 114.94 116.51 1k90 s ASN 781 Ca 0.15 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.76 1k90 s ASN 781 Cb -0.11 -1.48 0.37 0.00 -0.55 0.00 0.00 41.25 39.48 1k90 s ASN 781 CO 0.05 0.11 0.97 0.49 -2.79 0.00 0.00 177.10 175.93 1k90 n PHE 782 N 3.87 3.21 0.00 0.43 3.01 -1.26 -4.57 117.46 122.15 1k90 n PHE 782 Ca -0.19 -3.64 0.00 0.00 1.01 0.00 0.00 57.45 54.63 1k90 n PHE 782 Cb 0.52 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1k90 n PHE 782 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1k90 n THR 783 N -0.24 0.00 0.00 4.37 -1.04 -1.26 -4.94 114.28 111.17 1k90 n THR 783 Ca 0.31 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1k90 n THR 783 Cb 0.53 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.97 1k90 n THR 783 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k90 n GLU 784 N -0.74 0.00 -3.65 -2.82 1.02 -1.26 -5.13 120.64 108.06 1k90 n GLU 784 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1k90 n GLU 784 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1k90 n GLU 784 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k90 s ASN 785 N -1.00 -0.22 0.32 1.62 2.20 -1.26 -5.04 114.94 111.55 1k90 s ASN 785 Ca 0.00 -0.23 0.05 0.00 -0.94 0.00 0.00 52.86 51.74 1k90 s ASN 785 Cb 0.00 0.41 0.68 0.00 -2.00 0.00 0.00 41.25 40.34 1k90 s ASN 785 CO 0.00 -0.72 1.85 -0.33 -2.94 0.00 0.00 177.10 174.96 1k90 h GLU 786 N 2.00 0.83 -0.96 3.55 5.08 -2.00 -1.53 114.58 121.55 1k90 h GLU 786 Ca -0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1k90 h GLU 786 Cb 1.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1k90 h GLU 786 CO 0.27 0.55 0.02 -2.37 -1.00 0.00 0.00 179.01 176.48 1k90 n THR 787 N -4.59 0.55 -0.79 1.13 5.66 -1.26 -3.38 114.28 111.59 1k90 n THR 787 Ca 0.18 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1k90 n THR 787 Cb 0.41 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 1k90 n THR 787 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1k90 n ASP 788 N 0.12 0.00 -0.09 1.09 10.43 -0.60 -4.90 116.55 122.59 1k90 n ASP 788 Ca 0.05 -0.57 -0.18 0.00 2.57 0.00 0.00 54.79 56.66 1k90 n ASP 788 Cb 0.43 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.33 1k90 n ASP 788 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1k90 n ASN 789 N 0.00 1.62 -0.35 -2.24 3.02 -1.05 -4.52 115.26 111.74 1k90 n ASN 789 Ca 0.00 0.27 0.26 0.00 -0.03 0.00 0.00 54.58 55.09 1k90 n ASN 789 Cb 0.14 -0.65 0.51 0.00 -0.61 0.00 0.00 39.78 39.18 1k90 n ASN 789 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1k90 h PHE 790 N -0.79 0.84 0.00 3.10 3.57 -1.84 0.73 116.94 122.56 1k90 h PHE 790 Ca -0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1k90 h PHE 790 Cb 1.26 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1k90 h PHE 790 CO -0.16 -0.18 0.00 -0.85 -2.23 0.00 0.00 178.31 174.89 1k90 n GLU 791 N -4.97 0.75 0.00 1.11 0.00 -1.26 -2.87 120.64 113.39 1k90 n GLU 791 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1k90 n GLU 791 Cb 1.06 -1.13 0.00 0.00 0.00 0.00 0.00 31.44 31.38 1k90 n GLU 791 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1k90 n VAL 792 N 1.62 0.00 -0.29 3.84 0.31 0.25 -4.88 118.33 119.17 1k90 n VAL 792 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1k90 n VAL 792 Cb 0.37 -0.40 0.21 0.00 -0.91 0.00 0.00 33.84 33.11 1k90 n VAL 792 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1k90 h PHE 793 N 0.00 1.07 -1.03 3.52 3.57 -1.56 -2.72 116.94 119.79 1k90 h PHE 793 Ca 0.00 0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.82 1k90 h PHE 793 Cb 0.00 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 1k90 h PHE 793 CO 0.00 0.63 0.77 1.96 -2.23 0.00 0.00 178.31 179.44 1k90 h GLN 794 N 1.12 0.00 0.03 1.11 1.08 -1.88 -2.31 115.11 114.26 1k90 h GLN 794 Ca 0.35 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.21 1k90 h GLN 794 Cb -0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1k90 h GLN 794 CO -0.10 0.00 -1.84 1.63 -0.95 0.00 0.00 178.83 177.57 1k90 n LYS 795 N -4.13 0.62 -0.31 1.46 5.02 -1.03 -4.44 118.16 115.35 1k90 n LYS 795 Ca 0.22 0.39 0.09 0.00 -2.02 0.00 0.00 58.31 56.99 1k90 n LYS 795 Cb 1.12 -1.66 0.21 0.00 -0.02 0.00 0.00 35.03 34.68 1k90 n LYS 795 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1k90 h ILE 796 N -0.66 0.14 -0.61 -0.18 1.08 -1.34 -1.33 117.51 114.62 1k90 h ILE 796 Ca -0.47 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.08 1k90 h ILE 796 Cb 1.60 0.10 -0.11 0.00 -3.07 0.00 0.00 36.82 35.33 1k90 h ILE 796 CO -0.18 0.01 -0.38 0.16 -0.69 0.00 0.00 178.15 177.06 1k90 h ILE 797 N 0.04 0.12 0.00 -0.67 3.07 -1.72 -3.52 117.51 114.83 1k90 h ILE 797 Ca 0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.91 1k90 h ILE 797 Cb 0.93 0.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.60 1k90 h ILE 797 CO -0.84 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 176.73