#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkz s TYR 339 N 0.00 3.25 -0.26 1.20 6.04 0.36 -4.93 117.35 123.02 1xkz s TYR 339 Ca 0.00 0.39 0.09 0.00 0.04 0.00 0.00 57.07 57.59 1xkz s TYR 339 Cb 0.00 -2.54 -0.11 0.00 -1.04 0.00 0.00 41.96 38.27 1xkz s TYR 339 CO 0.00 -0.20 0.30 0.36 -1.54 0.00 0.00 175.55 174.48 1xkz n LYS 340 N 5.22 2.63 -1.72 4.97 -0.00 -1.26 -4.85 118.16 123.15 1xkz n LYS 340 Ca -0.09 -0.03 -0.43 0.00 -0.00 0.00 0.00 58.31 57.76 1xkz n LYS 340 Cb 0.51 -1.03 -0.03 0.00 -0.00 0.00 0.00 35.03 34.48 1xkz n LYS 340 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1xkz n LYS 341 N -1.44 2.64 -1.95 -1.58 -0.00 -1.26 -4.93 118.16 109.64 1xkz n LYS 341 Ca 0.00 0.95 -0.35 0.00 -0.00 0.00 0.00 58.31 58.92 1xkz n LYS 341 Cb 0.17 -2.76 0.03 0.00 -0.00 0.00 0.00 35.03 32.48 1xkz n LYS 341 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1xkz s PRO 342 N 0.68 2.95 -0.35 -1.58 0.04 -1.26 -4.99 135.00 130.49 1xkz s PRO 342 Ca 0.73 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 1xkz s PRO 342 Cb -0.53 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.07 1xkz s PRO 342 CO 0.38 -1.17 0.19 -1.17 0.04 0.00 0.00 177.00 175.26 1xkz s LEU 343 N -4.33 4.50 -1.02 -3.56 2.96 -1.26 -4.97 118.68 111.00 1xkz s LEU 343 Ca 0.73 -0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 1xkz s LEU 343 Cb -0.25 -2.02 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 1xkz s LEU 343 CO 0.35 -0.31 3.01 1.41 -1.32 0.00 0.00 176.35 179.48 1xkz n HIS 344 N 5.00 1.74 -3.90 5.38 8.25 -1.26 -4.81 115.22 125.62 1xkz n HIS 344 Ca -0.13 -2.51 -0.14 0.00 -0.26 0.00 0.00 57.72 54.69 1xkz n HIS 344 Cb 0.47 -2.02 -0.15 0.00 1.12 0.00 0.00 29.99 29.41 1xkz n HIS 344 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xkz s ASN 345 N 1.59 0.18 -1.31 0.41 3.84 -1.26 -5.05 114.94 113.33 1xkz s ASN 345 Ca 0.65 -0.01 -0.14 0.00 0.21 0.00 0.00 52.86 53.57 1xkz s ASN 345 Cb 0.24 -0.07 0.11 0.00 -0.55 0.00 0.00 41.25 40.98 1xkz s ASN 345 CO -0.07 -0.04 1.83 -0.90 -2.79 0.00 0.00 177.10 175.13 1xkz n ASP 346 N 3.53 4.78 -4.72 -4.21 5.75 -1.26 -4.96 116.55 115.45 1xkz n ASP 346 Ca -0.19 -2.96 -0.31 0.00 -0.01 0.00 0.00 54.79 51.32 1xkz n ASP 346 Cb 0.56 -1.61 0.13 0.00 -1.03 0.00 0.00 41.12 39.16 1xkz n ASP 346 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1xkz s TYR 347 N 2.33 2.18 -0.25 2.11 -0.85 -1.26 -4.82 117.35 116.78 1xkz s TYR 347 Ca 0.46 1.60 -0.09 0.00 -0.52 0.00 0.00 57.07 58.51 1xkz s TYR 347 Cb 0.06 -3.16 -0.04 0.00 0.38 0.00 0.00 41.96 39.20 1xkz s TYR 347 CO -0.00 -2.28 0.14 -1.14 -1.52 0.00 0.00 175.55 170.75 1xkz s GLN 348 N -4.81 3.89 0.27 -3.49 2.00 -0.00 -4.99 119.66 112.53 1xkz s GLN 348 Ca 0.64 -0.36 -0.29 0.00 -2.00 0.00 0.00 55.36 53.35 1xkz s GLN 348 Cb -0.19 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.03 1xkz s GLN 348 CO 0.57 -0.09 0.98 -1.50 -0.50 0.00 0.00 175.29 174.76 1xkz s ILE 349 N 1.44 3.93 0.16 -2.34 2.07 -1.26 -1.28 121.20 123.92 1xkz s ILE 349 Ca 0.06 1.88 0.10 0.00 -1.41 0.00 0.00 60.65 61.28 1xkz s ILE 349 Cb -0.15 -4.17 -0.04 0.00 0.13 0.00 0.00 42.46 38.23 1xkz s ILE 349 CO 0.07 0.39 -0.23 -0.76 -1.91 0.00 0.00 174.94 172.50 1xkz s LEU 350 N -1.44 2.39 -0.34 8.50 1.43 -0.09 -4.87 118.68 124.27 1xkz s LEU 350 Ca 0.44 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1xkz s LEU 350 Cb -0.26 -1.07 0.10 0.00 0.03 0.00 0.00 46.19 44.99 1xkz s LEU 350 CO 0.33 0.09 0.09 -0.62 0.23 0.00 0.00 176.35 176.47 1xkz s ASP 351 N -2.44 4.37 -0.31 2.29 2.15 -1.26 -4.33 116.67 117.13 1xkz s ASP 351 Ca 0.16 -1.97 0.08 0.00 0.43 0.00 0.00 52.55 51.26 1xkz s ASP 351 Cb -0.08 -1.26 0.54 0.00 -0.30 0.00 0.00 42.92 41.82 1xkz s ASP 351 CO 0.08 -0.39 1.54 0.29 -0.17 0.00 0.00 175.17 176.52 1xkz n LYS 352 N 4.45 2.01 0.09 4.34 4.76 -1.26 -4.74 118.16 127.81 1xkz n LYS 352 Ca 0.02 -3.14 0.10 0.00 -2.87 0.00 0.00 58.31 52.42 1xkz n LYS 352 Cb 0.41 -1.89 0.58 0.00 -1.84 0.00 0.00 35.03 32.29 1xkz n LYS 352 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1xkz h SER 353 N 1.08 0.17 -0.29 4.39 4.64 -1.98 -2.19 113.55 119.37 1xkz h SER 353 Ca 0.28 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1xkz h SER 353 Cb 1.86 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1xkz h SER 353 CO 0.50 0.12 0.13 0.11 -0.87 0.00 0.00 176.83 176.82 1xkz h LYS 354 N 0.20 0.42 -0.41 4.77 6.56 -1.93 -0.54 116.57 125.64 1xkz h LYS 354 Ca 0.13 -0.07 -0.11 0.00 -1.06 0.00 0.00 60.65 59.54 1xkz h LYS 354 Cb 0.28 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1xkz h LYS 354 CO -0.02 0.42 -0.18 0.82 -2.06 0.00 0.00 179.45 178.42 1xkz h ILE 355 N 0.33 1.28 -0.09 1.86 1.08 -1.86 -2.66 117.51 117.44 1xkz h ILE 355 Ca 0.10 -1.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.20 1xkz h ILE 355 Cb 0.14 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1xkz h ILE 355 CO -0.01 0.44 -0.15 -0.26 -0.69 0.00 0.00 178.15 177.49 1xkz h PHE 356 N 0.67 0.15 0.00 1.37 -1.00 -1.18 -3.47 116.94 113.48 1xkz h PHE 356 Ca 0.09 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1xkz h PHE 356 Cb 0.74 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1xkz h PHE 356 CO 0.06 0.29 0.00 0.41 -1.61 0.00 0.00 178.31 177.45 1xkz n GLY 357 N -0.94 3.94 0.14 -1.45 0.00 -0.23 -0.99 105.19 105.65 1xkz n GLY 357 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1xkz n GLY 357 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkz n SER 358 N 6.75 0.43 -4.90 1.61 3.41 -1.26 -4.80 113.62 114.86 1xkz n SER 358 Ca 0.00 -1.31 -0.33 0.00 -0.26 0.00 0.00 58.87 56.96 1xkz n SER 358 Cb 0.00 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1xkz n SER 358 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xkz s ASN 359 N -1.79 6.45 0.09 4.04 0.01 -0.16 -4.20 114.94 119.37 1xkz s ASN 359 Ca 0.37 0.48 0.07 0.00 -0.71 0.00 0.00 52.86 53.07 1xkz s ASN 359 Cb 0.18 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.75 1xkz s ASN 359 CO 0.29 0.22 -0.11 -0.44 -1.51 0.00 0.00 177.10 175.55 1xkz s SER 360 N -1.96 4.32 0.00 -1.22 0.01 0.46 -4.79 113.70 110.51 1xkz s SER 360 Ca 0.30 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1xkz s SER 360 Cb -0.13 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1xkz s SER 360 CO 0.19 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1xkz n GLY 361 N 0.83 -0.32 3.18 3.44 0.00 -1.26 -0.53 105.19 110.53 1xkz n GLY 361 Ca -0.14 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1xkz n GLY 361 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xkz s SER 362 N -4.00 0.27 -0.01 1.61 1.04 -0.46 -4.80 113.70 107.34 1xkz s SER 362 Ca 0.00 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.53 1xkz s SER 362 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1xkz s SER 362 CO 0.00 -0.72 -0.05 0.12 0.98 0.00 0.00 173.24 173.57 1xkz s PHE 363 N -3.94 0.56 -0.03 5.02 2.19 -1.02 -1.29 117.98 119.48 1xkz s PHE 363 Ca 0.12 -0.11 0.02 0.00 0.33 0.00 0.00 56.93 57.28 1xkz s PHE 363 Cb 0.06 -0.42 0.01 0.00 -1.31 0.00 0.00 43.02 41.36 1xkz s PHE 363 CO -0.06 -0.06 -0.07 0.08 1.83 0.00 0.00 175.22 176.94 1xkz s VAL 364 N 0.18 0.66 0.05 3.12 1.01 -0.28 -0.50 120.40 124.64 1xkz s VAL 364 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1xkz s VAL 364 Cb -0.06 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1xkz s VAL 364 CO -0.00 0.22 -0.11 -0.32 0.00 0.00 0.00 175.10 174.89 1xkz s MET 365 N 0.31 0.68 -0.07 2.72 0.00 0.78 -1.10 119.30 122.62 1xkz s MET 365 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 55.69 54.86 1xkz s MET 365 Cb -0.09 -0.57 0.02 0.00 0.00 0.00 0.00 34.83 34.19 1xkz s MET 365 CO 0.00 0.12 -0.09 -0.47 0.00 0.00 0.00 175.02 174.59 1xkz s TYR 366 N -1.21 1.23 -0.19 4.11 5.04 0.53 -0.19 117.35 126.68 1xkz s TYR 366 Ca -0.05 -0.46 -0.12 0.00 -2.44 0.00 0.00 57.07 54.00 1xkz s TYR 366 Cb -0.09 -0.96 -0.05 0.00 0.35 0.00 0.00 41.96 41.21 1xkz s TYR 366 CO 0.01 -0.29 0.23 0.45 -1.34 0.00 0.00 175.55 174.61 1xkz s SER 367 N 0.93 6.32 0.08 4.32 0.15 0.03 -1.11 113.70 124.41 1xkz s SER 367 Ca -0.10 0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 1xkz s SER 367 Cb -0.15 -2.14 -0.12 0.00 -1.71 0.00 0.00 66.02 61.90 1xkz s SER 367 CO 0.01 0.11 1.36 0.24 1.20 0.00 0.00 173.24 176.15 1xkz h MET 368 N 6.83 0.63 -0.37 5.44 0.00 -1.58 0.91 114.93 126.80 1xkz h MET 368 Ca -0.40 -0.38 -0.09 0.00 0.00 0.00 0.00 59.70 58.82 1xkz h MET 368 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 32.79 1xkz h MET 368 CO 0.74 1.00 -0.13 0.87 0.00 0.00 0.00 176.91 179.39 1xkz h LYS 369 N 0.33 0.73 0.00 1.72 6.56 -1.90 -3.15 116.57 120.85 1xkz h LYS 369 Ca 0.02 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1xkz h LYS 369 Cb 0.94 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1xkz h LYS 369 CO 0.08 0.90 -0.33 0.36 -2.06 0.00 0.00 179.45 178.40 1xkz n LYS 370 N -4.34 0.02 -3.93 3.15 -0.00 -1.23 -4.96 118.16 106.88 1xkz n LYS 370 Ca -0.02 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 1xkz n LYS 370 Cb 0.37 -1.52 -0.01 0.00 -0.00 0.00 0.00 35.03 33.88 1xkz n LYS 370 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xkz n ASP 371 N -1.55 -1.53 -3.90 -5.58 2.03 0.29 -4.98 116.55 101.34 1xkz n ASP 371 Ca 0.06 -1.05 -0.15 0.00 0.52 0.00 0.00 54.79 54.17 1xkz n ASP 371 Cb 0.35 -2.94 -0.15 0.00 -0.72 0.00 0.00 41.12 37.66 1xkz n ASP 371 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xkz s LYS 372 N -6.54 0.31 0.10 -0.67 2.20 -1.06 -4.93 119.74 109.14 1xkz s LYS 372 Ca 0.13 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1xkz s LYS 372 Cb -0.05 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 35.86 1xkz s LYS 372 CO 0.90 0.01 0.29 0.71 -0.36 0.00 0.00 175.35 176.89 1xkz s TYR 373 N 0.27 3.50 -0.11 4.03 1.51 -1.26 -0.79 117.35 124.49 1xkz s TYR 373 Ca -0.03 0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 56.44 1xkz s TYR 373 Cb -0.05 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1xkz s TYR 373 CO -0.01 0.52 -0.08 0.71 -1.11 0.00 0.00 175.55 175.58 1xkz s TYR 374 N -1.57 1.55 -0.06 2.71 2.02 0.74 -0.82 117.35 121.92 1xkz s TYR 374 Ca 0.37 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1xkz s TYR 374 Cb -0.13 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1xkz s TYR 374 CO 0.26 -0.52 -0.12 0.42 -1.57 0.00 0.00 175.55 174.02 1xkz s ILE 375 N 1.64 1.11 -0.23 2.71 1.01 -0.40 -0.16 121.20 126.89 1xkz s ILE 375 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1xkz s ILE 375 Cb -0.13 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1xkz s ILE 375 CO -0.08 0.35 0.05 -0.47 0.00 0.00 0.00 174.94 174.79 1xkz s TYR 376 N 0.60 3.10 -0.40 3.97 5.04 0.34 -0.92 117.35 129.08 1xkz s TYR 376 Ca -0.13 -0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.14 1xkz s TYR 376 Cb -0.15 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1xkz s TYR 376 CO 0.03 -0.24 0.39 -1.71 -1.34 0.00 0.00 175.55 172.68 1xkz n ASN 377 N 4.52 -5.28 -0.21 4.32 2.85 -1.26 -2.44 115.26 117.76 1xkz n ASN 377 Ca -0.16 -0.01 -0.06 0.00 -0.11 0.00 0.00 54.58 54.24 1xkz n ASN 377 Cb 0.52 -3.44 0.04 0.00 1.24 0.00 0.00 39.78 38.14 1xkz n ASN 377 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1xkz h GLU 378 N 0.33 0.80 -0.52 1.20 4.22 -1.94 -0.49 114.58 118.18 1xkz h GLU 378 Ca 0.00 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.44 1xkz h GLU 378 Cb 0.96 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1xkz h GLU 378 CO 0.16 0.53 0.24 0.87 -2.18 0.00 0.00 179.01 178.64 1xkz h LYS 379 N 0.83 0.45 -0.02 1.92 1.79 -2.00 -2.01 116.57 117.53 1xkz h LYS 379 Ca 0.22 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.58 1xkz h LYS 379 Cb -0.09 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1xkz h LYS 379 CO -0.05 0.30 -0.41 1.49 -1.08 0.00 0.00 179.45 179.70 1xkz h GLU 380 N 0.47 0.05 0.00 3.15 4.57 -1.86 -2.24 114.58 118.71 1xkz h GLU 380 Ca 0.24 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1xkz h GLU 380 Cb 0.18 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1xkz h GLU 380 CO -0.19 0.45 0.00 0.66 -1.18 0.00 0.00 179.01 178.75 1xkz h SER 381 N 0.04 0.00 0.18 1.04 4.64 -0.35 -1.94 113.55 117.16 1xkz h SER 381 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xkz h SER 381 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1xkz h SER 381 CO 0.06 0.00 -0.61 0.54 -0.87 0.00 0.00 176.83 175.94 1xkz n ARG 382 N -2.67 0.41 -2.50 4.77 1.74 -0.85 -0.93 116.66 116.62 1xkz n ARG 382 Ca 0.01 -0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1xkz n ARG 382 Cb 0.25 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1xkz n ARG 382 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xkz s LYS 383 N -2.80 4.50 0.03 5.56 -0.14 -0.73 -0.48 119.74 125.67 1xkz s LYS 383 Ca 0.14 1.69 -0.20 0.00 -1.36 0.00 0.00 55.97 56.24 1xkz s LYS 383 Cb 0.17 -3.35 -0.06 0.00 -1.68 0.00 0.00 37.83 32.92 1xkz s LYS 383 CO 0.70 -0.13 0.59 1.03 -0.76 0.00 0.00 175.35 176.78 1xkz s ARG 384 N 0.67 4.28 0.11 1.68 0.52 -1.26 -4.11 118.95 120.85 1xkz s ARG 384 Ca 0.55 0.75 0.01 0.00 -0.52 0.00 0.00 55.73 56.52 1xkz s ARG 384 Cb -0.28 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 1xkz s ARG 384 CO 0.30 0.47 -0.03 0.71 0.02 0.00 0.00 175.30 176.76 1xkz s TYR 385 N -0.53 0.92 0.34 -0.53 1.51 -0.35 -4.76 117.35 113.95 1xkz s TYR 385 Ca 0.30 -0.99 -0.29 0.00 -1.01 0.00 0.00 57.07 55.09 1xkz s TYR 385 Cb -0.19 -0.54 -0.11 0.00 -0.11 0.00 0.00 41.96 41.02 1xkz s TYR 385 CO 0.18 -0.22 1.48 0.45 -1.11 0.00 0.00 175.55 176.33 1xkz s SER 386 N -3.06 6.44 0.00 2.29 0.15 -1.26 -0.90 113.70 117.36 1xkz s SER 386 Ca 0.15 2.94 0.26 0.00 0.70 0.00 0.00 55.95 60.00 1xkz s SER 386 Cb 0.06 -2.65 1.15 0.00 -1.71 0.00 0.00 66.02 62.86 1xkz s SER 386 CO -0.03 -0.82 1.83 -0.81 1.20 0.00 0.00 173.24 174.61 1xkz n PRO 387 N 1.10 0.10 0.00 5.44 -0.04 -1.26 -4.88 135.00 135.47 1xkz n PRO 387 Ca 0.03 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1xkz n PRO 387 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1xkz n PRO 387 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xkz n ASN 388 N -1.44 0.00 0.06 3.54 0.23 -0.74 -1.03 115.26 115.88 1xkz n ASN 388 Ca 0.08 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.23 1xkz n ASN 388 Cb 0.27 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.41 1xkz n ASN 388 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1xkz n SER 389 N 1.02 0.33 0.13 0.53 7.64 -1.26 -1.95 113.62 120.06 1xkz n SER 389 Ca 0.00 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.56 1xkz n SER 389 Cb 0.00 -0.64 0.49 0.00 -1.01 0.00 0.00 64.21 63.04 1xkz n SER 389 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xkz n THR 390 N -1.85 0.83 0.42 0.44 -2.24 -0.20 -1.75 114.28 109.92 1xkz n THR 390 Ca 0.04 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 1xkz n THR 390 Cb 0.25 -1.15 0.49 0.00 -2.10 0.00 0.00 70.33 67.82 1xkz n THR 390 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1xkz h TYR 391 N 0.00 0.00 -0.00 4.78 3.20 -1.51 -2.49 116.97 120.95 1xkz h TYR 391 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xkz h TYR 391 Cb 0.36 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1xkz h TYR 391 CO 0.00 0.00 0.00 0.87 -1.64 0.00 0.00 178.16 177.39 1xkz h LYS 392 N 0.00 0.00 -0.51 1.82 1.57 -1.55 -0.78 116.57 117.12 1xkz h LYS 392 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1xkz h LYS 392 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1xkz h LYS 392 CO 0.00 0.00 0.23 0.82 -0.57 0.00 0.00 179.45 179.93 1xkz h ILE 393 N 0.00 0.91 0.12 1.86 2.04 -1.65 -0.33 117.51 120.46 1xkz h ILE 393 Ca 0.00 -0.16 -0.27 0.00 1.00 0.00 0.00 64.86 65.43 1xkz h ILE 393 Cb 0.00 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xkz h ILE 393 CO -0.00 0.08 -1.25 1.88 0.00 0.00 0.00 178.15 178.86 1xkz h TYR 394 N 0.45 0.48 -0.12 1.37 -1.99 -1.40 -2.34 116.97 113.42 1xkz h TYR 394 Ca 0.24 -0.35 -0.08 0.00 2.00 0.00 0.00 58.73 60.54 1xkz h TYR 394 Cb 0.19 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 1xkz h TYR 394 CO -0.12 1.28 -0.27 -0.07 -0.00 0.00 0.00 178.16 178.97 1xkz h LEU 395 N 0.07 0.21 -0.14 3.88 3.38 -1.07 0.25 115.31 121.90 1xkz h LEU 395 Ca -0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1xkz h LEU 395 Cb 1.97 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 1xkz h LEU 395 CO 0.20 0.49 -0.03 0.00 0.09 0.00 0.00 178.44 179.19 1xkz h ALA 396 N 1.53 0.19 -0.80 1.53 0.00 -1.01 0.15 119.26 120.85 1xkz h ALA 396 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xkz h ALA 396 Cb 0.59 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1xkz h ALA 396 CO 0.04 -0.07 0.39 0.52 0.00 0.00 0.00 179.25 180.13 1xkz h MET 397 N -0.04 1.14 -0.48 0.00 2.86 -0.78 -0.88 114.93 116.74 1xkz h MET 397 Ca 0.03 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1xkz h MET 397 Cb 0.44 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1xkz h MET 397 CO 0.01 0.87 -0.17 0.74 1.06 0.00 0.00 176.91 179.42 1xkz h PHE 398 N 1.13 1.08 -0.62 -0.22 0.04 -0.30 0.10 116.94 118.15 1xkz h PHE 398 Ca 0.28 -0.24 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 1xkz h PHE 398 Cb 0.10 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1xkz h PHE 398 CO 0.01 1.04 0.11 0.78 -0.60 0.00 0.00 178.31 179.65 1xkz h GLY 399 N 0.92 1.09 0.93 -1.45 0.00 -0.26 -0.48 103.07 103.82 1xkz h GLY 399 Ca 0.12 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 1xkz h GLY 399 CO 0.06 0.65 -0.44 1.41 0.00 0.00 0.00 176.54 178.21 1xkz h LEU 400 N 0.95 0.68 -0.84 3.11 3.38 -1.04 0.14 115.31 121.70 1xkz h LEU 400 Ca 0.19 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1xkz h LEU 400 Cb 0.40 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1xkz h LEU 400 CO 0.01 1.14 0.56 -0.78 0.09 0.00 0.00 178.44 179.45 1xkz h ASP 401 N 0.26 0.96 -0.09 -0.43 3.58 -0.75 -2.17 116.42 117.77 1xkz h ASP 401 Ca -0.01 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xkz h ASP 401 Cb 1.06 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1xkz h ASP 401 CO 0.10 0.69 0.00 0.54 -2.88 0.00 0.00 179.24 177.69 1xkz n ARG 402 N -4.50 1.56 -1.85 0.28 1.74 -0.21 -4.94 116.66 108.74 1xkz n ARG 402 Ca 0.09 -0.83 -0.17 0.00 -0.77 0.00 0.00 57.85 56.17 1xkz n ARG 402 Cb 0.02 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1xkz n ARG 402 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xkz n HIS 403 N 0.04 -0.35 -0.08 -1.55 8.25 -0.79 -4.86 115.22 115.87 1xkz n HIS 403 Ca 0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1xkz n HIS 403 Cb 0.28 -3.14 0.15 0.00 1.12 0.00 0.00 29.99 28.40 1xkz n HIS 403 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1xkz h ILE 404 N 0.00 1.25 -3.57 1.59 2.04 -1.00 -3.44 117.51 114.38 1xkz h ILE 404 Ca -0.37 -1.12 -0.29 0.00 1.00 0.00 0.00 64.86 64.08 1xkz h ILE 404 Cb 1.19 1.03 -0.15 0.00 -0.74 0.00 0.00 36.82 38.16 1xkz h ILE 404 CO 0.50 0.38 -0.70 0.27 0.00 0.00 0.00 178.15 178.60 1xkz s ILE 405 N -4.81 0.94 0.10 -0.67 -4.36 -1.05 -5.02 121.20 106.32 1xkz s ILE 405 Ca -0.09 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 1xkz s ILE 405 Cb 0.14 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.97 1xkz s ILE 405 CO 0.81 -0.71 0.14 -0.46 0.24 0.00 0.00 174.94 174.97 1xkz n ASN 406 N -0.17 -0.40 0.16 4.36 0.23 -0.55 -4.23 115.26 114.66 1xkz n ASN 406 Ca -0.10 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.40 1xkz n ASN 406 Cb 0.61 0.74 0.26 0.00 -2.08 0.00 0.00 39.78 39.31 1xkz n ASN 406 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1xkz h ASP 407 N 0.58 0.00 0.40 0.53 2.03 -1.97 -3.19 116.42 114.79 1xkz h ASP 407 Ca -0.08 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 55.91 1xkz h ASP 407 Cb 0.35 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 1xkz h ASP 407 CO 0.11 0.51 -1.67 1.05 -1.03 0.00 0.00 179.24 178.20 1xkz h GLU 408 N 0.00 0.18 -2.57 4.15 9.09 -2.05 -3.45 114.58 119.92 1xkz h GLU 408 Ca -0.01 -0.31 -0.33 0.00 0.05 0.00 0.00 59.36 58.77 1xkz h GLU 408 Cb 0.90 0.11 -0.36 0.00 -1.65 0.00 0.00 28.75 27.75 1xkz h GLU 408 CO 0.07 0.97 -0.64 1.21 0.05 0.00 0.00 179.01 180.67 1xkz s ASN 409 N -6.75 1.48 -0.06 3.06 2.47 -1.21 -4.95 114.94 108.99 1xkz s ASN 409 Ca -0.11 -0.27 0.08 0.00 0.42 0.00 0.00 52.86 52.99 1xkz s ASN 409 Cb 0.07 0.32 0.12 0.00 -1.45 0.00 0.00 41.25 40.32 1xkz s ASN 409 CO 0.82 -0.33 1.01 -1.54 -3.72 0.00 0.00 177.10 173.34 1xkz n SER 410 N 5.31 1.56 -4.78 -4.21 3.41 -1.23 -1.47 113.62 112.21 1xkz n SER 410 Ca -0.06 -2.35 -0.37 0.00 -0.26 0.00 0.00 58.87 55.83 1xkz n SER 410 Cb 0.49 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1xkz n SER 410 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xkz s ARG 411 N -1.51 4.14 -0.03 4.33 3.00 -1.26 -3.57 118.95 124.05 1xkz s ARG 411 Ca 0.14 1.59 0.01 0.00 0.00 0.00 0.00 55.73 57.46 1xkz s ARG 411 Cb 0.12 -2.58 0.02 0.00 0.00 0.00 0.00 34.95 32.51 1xkz s ARG 411 CO 0.01 -0.18 -0.02 -1.64 0.00 0.00 0.00 175.30 173.47 1xkz s MET 412 N -2.44 0.46 0.44 3.54 -1.94 0.21 -4.97 119.30 114.59 1xkz s MET 412 Ca 0.58 -0.02 -0.21 0.00 -1.71 0.00 0.00 55.69 54.33 1xkz s MET 412 Cb -0.24 -0.55 -0.11 0.00 2.01 0.00 0.00 34.83 35.94 1xkz s MET 412 CO 0.30 -0.08 0.96 -1.54 -0.01 0.00 0.00 175.02 174.66 1xkz s SER 413 N 0.78 6.85 0.23 3.03 1.04 -1.26 -1.48 113.70 122.88 1xkz s SER 413 Ca -0.09 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 57.78 1xkz s SER 413 Cb -0.12 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.37 1xkz s SER 413 CO -0.01 -0.42 1.08 0.86 0.98 0.00 0.00 173.24 175.73 1xkz s TRP 414 N -2.14 3.63 -1.67 5.02 -0.00 -1.26 -4.90 118.94 117.62 1xkz s TRP 414 Ca 0.63 1.68 0.09 0.00 -0.00 0.00 0.00 56.10 58.49 1xkz s TRP 414 Cb -0.10 -3.25 0.31 0.00 -0.00 0.00 0.00 33.47 30.42 1xkz s TRP 414 CO 0.14 -0.48 1.19 0.27 -0.00 0.00 0.00 176.95 178.08 1xkz n ASN 415 N 1.77 2.09 0.00 5.86 6.94 -1.26 -4.92 115.26 125.74 1xkz n ASN 415 Ca 0.01 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1xkz n ASN 415 Cb 0.46 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1xkz n ASN 415 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1xkz n HIS 416 N 0.41 0.00 -2.00 -2.53 8.25 -1.26 -5.02 115.22 113.08 1xkz n HIS 416 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1xkz n HIS 416 Cb 0.37 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1xkz n HIS 416 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xkz s LYS 417 N -0.08 4.25 -0.19 -0.41 1.02 -1.26 -4.95 119.74 118.13 1xkz s LYS 417 Ca 0.00 2.29 -0.29 0.00 0.02 0.00 0.00 55.97 57.99 1xkz s LYS 417 Cb 0.00 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1xkz s LYS 417 CO 0.00 -0.53 1.43 -1.58 -0.92 0.00 0.00 175.35 173.75 1xkz s HIS 418 N 0.86 2.48 0.26 3.18 5.65 -1.26 -4.89 115.29 121.57 1xkz s HIS 418 Ca 0.66 0.72 0.06 0.00 0.25 0.00 0.00 55.06 56.76 1xkz s HIS 418 Cb -0.42 -3.78 -0.03 0.00 -1.18 0.00 0.00 32.58 27.17 1xkz s HIS 418 CO 0.34 -2.38 0.30 0.71 -0.65 0.00 0.00 174.74 173.06 1xkz s TYR 419 N 4.20 3.25 -2.01 3.88 2.02 -1.26 -5.02 117.35 122.40 1xkz s TYR 419 Ca 0.62 -0.10 0.18 0.00 -0.37 0.00 0.00 57.07 57.41 1xkz s TYR 419 Cb -0.23 -1.56 1.05 0.00 -0.40 0.00 0.00 41.96 40.81 1xkz s TYR 419 CO 0.23 0.41 1.68 -0.35 -1.57 0.00 0.00 175.55 175.94 1xkz n PRO 420 N -1.34 1.03 -3.96 -1.71 -0.04 -1.26 -4.61 135.00 123.11 1xkz n PRO 420 Ca -0.07 -0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.05 1xkz n PRO 420 Cb 0.58 -1.28 -0.16 0.00 -0.04 0.00 0.00 33.50 32.59 1xkz n PRO 420 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xkz s PHE 421 N -1.99 1.97 0.33 0.54 0.40 -1.26 -5.02 117.98 112.95 1xkz s PHE 421 Ca 0.27 -1.17 0.09 0.00 -0.60 0.00 0.00 56.93 55.52 1xkz s PHE 421 Cb 0.12 -1.46 0.84 0.00 0.51 0.00 0.00 43.02 43.03 1xkz s PHE 421 CO 0.21 -0.64 1.79 -0.44 0.70 0.00 0.00 175.22 176.83 1xkz h ASP 422 N 8.08 0.69 0.10 1.36 5.19 -1.99 -0.49 116.42 129.36 1xkz h ASP 422 Ca -0.30 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1xkz h ASP 422 Cb 1.12 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1xkz h ASP 422 CO 0.46 0.23 0.00 0.00 -3.12 0.00 0.00 179.24 176.81 1xkz h ALA 423 N 1.64 1.00 0.00 3.45 0.00 -1.96 -1.32 119.26 122.07 1xkz h ALA 423 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1xkz h ALA 423 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xkz h ALA 423 CO -0.34 0.00 -0.69 0.91 0.00 0.00 0.00 179.25 179.13 1xkz n TRP 424 N -2.98 0.26 -1.92 0.00 7.02 -0.19 -4.47 117.44 115.16 1xkz n TRP 424 Ca -0.02 0.08 -0.37 0.00 -1.02 0.00 0.00 57.50 56.17 1xkz n TRP 424 Cb 0.09 -0.43 -0.02 0.00 -2.42 0.00 0.00 31.31 28.53 1xkz n TRP 424 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xkz n ASN 425 N -1.83 7.54 -3.66 -0.99 5.03 -0.50 -4.85 115.26 115.99 1xkz n ASN 425 Ca 0.04 -3.24 -0.03 0.00 0.87 0.00 0.00 54.58 52.22 1xkz n ASN 425 Cb 0.40 -1.30 -0.01 0.00 -1.02 0.00 0.00 39.78 37.85 1xkz n ASN 425 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1xkz s LYS 426 N -1.74 0.83 0.77 3.52 -2.85 -1.26 -5.08 119.74 113.93 1xkz s LYS 426 Ca 0.54 -0.43 -0.14 0.00 -1.00 0.00 0.00 55.97 54.94 1xkz s LYS 426 Cb 0.25 0.30 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1xkz s LYS 426 CO -0.15 -0.38 1.18 -1.83 0.10 0.00 0.00 175.35 174.28 1xkz s GLU 427 N -2.94 1.95 0.11 1.78 -1.05 -1.26 -4.38 118.70 112.92 1xkz s GLU 427 Ca 0.11 1.66 0.02 0.00 -0.15 0.00 0.00 54.97 56.61 1xkz s GLU 427 Cb 0.01 -1.82 -0.04 0.00 -0.44 0.00 0.00 34.13 31.83 1xkz s GLU 427 CO -0.02 -1.95 -0.05 -0.65 0.95 0.00 0.00 175.26 173.53 1xkz s GLN 428 N -4.14 0.89 0.44 -4.83 -1.52 -0.55 -4.94 119.66 105.01 1xkz s GLN 428 Ca 0.71 -1.38 0.03 0.00 -1.95 0.00 0.00 55.36 52.78 1xkz s GLN 428 Cb -0.27 -0.22 -0.02 0.00 -0.22 0.00 0.00 33.01 32.28 1xkz s GLN 428 CO 0.48 -0.04 0.12 0.16 -0.25 0.00 0.00 175.29 175.76 1xkz s ASP 429 N -3.07 3.10 0.24 5.90 1.47 -1.26 -0.62 116.67 122.43 1xkz s ASP 429 Ca 0.14 -1.71 -0.06 0.00 1.18 0.00 0.00 52.55 52.10 1xkz s ASP 429 Cb 0.05 0.58 0.27 0.00 -0.34 0.00 0.00 42.92 43.48 1xkz s ASP 429 CO -0.03 -0.96 1.89 0.25 0.68 0.00 0.00 175.17 177.01 1xkz h LEU 430 N 1.67 0.98 -0.57 2.11 5.85 -1.97 -1.79 115.31 121.59 1xkz h LEU 430 Ca -0.36 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1xkz h LEU 430 Cb 1.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1xkz h LEU 430 CO 0.58 0.68 0.18 0.78 -0.34 0.00 0.00 178.44 180.32 1xkz h ASN 431 N 1.15 0.83 0.18 1.25 2.35 -1.94 -0.39 115.58 119.01 1xkz h ASN 431 Ca 0.36 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 1xkz h ASN 431 Cb -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1xkz h ASN 431 CO -0.11 0.81 -0.65 0.71 -1.65 0.00 0.00 177.43 176.54 1xkz h THR 432 N 0.80 1.36 -0.67 2.81 1.35 -1.90 -1.57 112.91 115.10 1xkz h THR 432 Ca 0.18 -2.00 -0.07 0.00 -0.55 0.00 0.00 66.41 63.98 1xkz h THR 432 Cb 0.28 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 1xkz h THR 432 CO -0.01 0.61 0.15 0.00 -0.25 0.00 0.00 175.52 176.02 1xkz h ALA 433 N 0.97 1.00 -0.07 6.62 0.00 -1.24 -0.80 119.26 125.73 1xkz h ALA 433 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1xkz h ALA 433 Cb 1.21 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xkz h ALA 433 CO 0.11 0.64 -0.42 1.98 0.00 0.00 0.00 179.25 181.57 1xkz h MET 434 N 1.01 0.41 -0.56 0.00 -1.53 -0.95 -0.74 114.93 112.58 1xkz h MET 434 Ca 0.21 -0.35 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 1xkz h MET 434 Cb 0.37 0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.47 1xkz h MET 434 CO 0.00 0.99 0.36 0.37 0.14 0.00 0.00 176.91 178.77 1xkz h GLN 435 N -0.05 0.75 -0.66 0.39 4.15 -1.24 -2.43 115.11 116.02 1xkz h GLN 435 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1xkz h GLN 435 Cb 1.08 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1xkz h GLN 435 CO 0.09 0.52 0.00 0.09 -1.93 0.00 0.00 178.83 177.60 1xkz n ASN 436 N -4.67 4.86 -4.04 -0.69 3.02 -0.31 -4.96 115.26 108.47 1xkz n ASN 436 Ca 0.03 -2.49 -0.41 0.00 -0.03 0.00 0.00 54.58 51.68 1xkz n ASN 436 Cb 0.04 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1xkz n ASN 436 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1xkz n SER 437 N 1.09 -3.51 -4.56 6.41 2.88 -0.67 -4.83 113.62 110.43 1xkz n SER 437 Ca 0.26 -1.12 -0.39 0.00 -1.33 0.00 0.00 58.87 56.29 1xkz n SER 437 Cb 0.92 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 1xkz n SER 437 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xkz s VAL 438 N -3.72 3.74 0.29 2.46 1.01 -0.37 -4.90 120.40 118.91 1xkz s VAL 438 Ca 0.42 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1xkz s VAL 438 Cb -0.23 -4.76 0.28 0.00 0.00 0.00 0.00 36.38 31.67 1xkz s VAL 438 CO 0.84 -1.68 1.72 0.78 0.00 0.00 0.00 175.10 176.76 1xkz h ASN 439 N 10.56 0.44 -0.18 3.32 2.35 -1.89 -2.57 115.58 127.61 1xkz h ASN 439 Ca 0.00 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1xkz h ASN 439 Cb 1.03 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1xkz h ASN 439 CO 1.33 0.07 -0.01 4.11 -1.65 0.00 0.00 177.43 181.28 1xkz h TRP 440 N 0.48 0.46 -0.15 1.19 5.08 -1.98 -1.24 115.95 119.80 1xkz h TRP 440 Ca 0.56 -0.04 0.02 0.00 1.08 0.00 0.00 58.89 60.51 1xkz h TRP 440 Cb 1.02 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 27.02 1xkz h TRP 440 CO -0.10 0.47 0.04 -0.92 -1.28 0.00 0.00 178.44 176.64 1xkz h TYR 441 N 0.43 0.06 0.00 0.12 5.03 -1.87 -1.07 116.97 119.67 1xkz h TYR 441 Ca 0.09 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.30 1xkz h TYR 441 Cb 0.30 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1xkz h TYR 441 CO 0.01 0.03 -0.55 0.74 -1.32 0.00 0.00 178.16 177.07 1xkz h PHE 442 N 0.10 0.00 -0.24 -3.82 -1.00 -1.48 -2.27 116.94 108.24 1xkz h PHE 442 Ca 0.06 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.71 1xkz h PHE 442 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1xkz h PHE 442 CO -0.12 0.55 -0.42 0.93 -1.61 0.00 0.00 178.31 177.64 1xkz h GLU 443 N 0.00 0.58 -0.62 1.51 5.08 -1.14 -0.37 114.58 119.62 1xkz h GLU 443 Ca -0.01 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1xkz h GLU 443 Cb 1.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1xkz h GLU 443 CO 0.07 0.89 0.15 -0.09 -1.00 0.00 0.00 179.01 179.04 1xkz h ARG 444 N 0.47 0.99 -0.06 2.33 9.65 -0.91 -0.93 114.38 125.92 1xkz h ARG 444 Ca 0.04 -0.24 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1xkz h ARG 444 Cb 0.93 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1xkz h ARG 444 CO 0.08 0.90 0.03 0.82 2.80 0.00 0.00 179.97 184.60 1xkz h ILE 445 N 0.90 1.08 -0.77 1.20 2.04 -1.16 -3.11 117.51 117.70 1xkz h ILE 445 Ca 0.19 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1xkz h ILE 445 Cb 0.35 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1xkz h ILE 445 CO 0.00 0.07 0.50 -1.28 0.00 0.00 0.00 178.15 177.45 1xkz h SER 446 N 0.00 0.78 0.22 1.72 0.87 -0.73 -1.14 113.55 115.28 1xkz h SER 446 Ca 0.02 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1xkz h SER 446 Cb 0.09 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1xkz h SER 446 CO -0.00 0.53 -0.01 0.44 -0.53 0.00 0.00 176.83 177.26 1xkz h ASP 447 N 0.90 0.00 0.01 6.23 3.32 -1.10 -2.02 116.42 123.76 1xkz h ASP 447 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xkz h ASP 447 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1xkz h ASP 447 CO -0.10 0.01 -0.17 0.00 -1.72 0.00 0.00 179.24 177.26 1xkz n GLN 448 N -3.18 1.71 -3.63 3.56 6.02 -0.43 -4.94 117.38 116.48 1xkz n GLN 448 Ca -0.02 -1.31 -0.37 0.00 -0.01 0.00 0.00 57.00 55.29 1xkz n GLN 448 Cb 0.13 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 1xkz n GLN 448 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xkz s ILE 449 N -2.20 5.34 0.51 5.09 1.01 -0.76 -5.06 121.20 125.14 1xkz s ILE 449 Ca 0.27 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.93 1xkz s ILE 449 Cb 0.20 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1xkz s ILE 449 CO 0.41 0.33 1.32 -2.84 0.00 0.00 0.00 174.94 174.16 1xkz s PRO 450 N 1.11 3.35 0.30 2.79 0.02 -1.26 -4.91 135.00 136.39 1xkz s PRO 450 Ca 0.09 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.26 1xkz s PRO 450 Cb -0.14 -2.33 0.56 0.00 0.02 0.00 0.00 34.50 32.61 1xkz s PRO 450 CO 0.05 -0.99 1.89 -0.22 -0.33 0.00 0.00 177.00 177.40 1xkz h LYS 451 N 1.69 0.96 -0.67 5.54 3.64 -1.97 -2.39 116.57 123.37 1xkz h LYS 451 Ca -0.50 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1xkz h LYS 451 Cb 1.28 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1xkz h LYS 451 CO 0.58 0.64 0.35 -2.95 -2.27 0.00 0.00 179.45 175.81 1xkz h ASN 452 N 0.99 0.84 -0.18 4.20 -1.07 -1.99 -0.73 115.58 117.63 1xkz h ASN 452 Ca 0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.71 1xkz h ASN 452 Cb 0.31 -0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 1xkz h ASN 452 CO -0.18 0.69 0.08 0.22 0.07 0.00 0.00 177.43 178.31 1xkz h TYR 453 N 0.94 0.26 -0.34 4.14 3.20 -1.81 -0.93 116.97 122.42 1xkz h TYR 453 Ca 0.24 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1xkz h TYR 453 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1xkz h TYR 453 CO 0.01 0.28 0.13 1.15 -1.64 0.00 0.00 178.16 178.09 1xkz h THR 454 N 0.16 1.19 -0.95 1.81 2.02 -1.24 0.00 112.91 115.91 1xkz h THR 454 Ca 0.06 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1xkz h THR 454 Cb 0.12 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1xkz h THR 454 CO -0.01 0.21 0.62 0.00 0.37 0.00 0.00 175.52 176.72 1xkz h ALA 455 N 0.97 1.22 -0.47 6.16 0.00 -1.08 -0.57 119.26 125.49 1xkz h ALA 455 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xkz h ALA 455 Cb 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xkz h ALA 455 CO -0.01 0.56 0.21 1.15 0.00 0.00 0.00 179.25 181.16 1xkz h THR 456 N 1.26 1.20 -0.50 0.00 2.02 -0.54 -1.70 112.91 114.65 1xkz h THR 456 Ca 0.36 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1xkz h THR 456 Cb -0.10 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1xkz h THR 456 CO -0.09 0.22 -0.09 1.56 0.37 0.00 0.00 175.52 177.49 1xkz h GLN 457 N 0.62 0.95 -0.32 6.66 1.08 -0.74 -1.16 115.11 122.20 1xkz h GLN 457 Ca 0.16 -0.35 -0.10 0.00 -1.45 0.00 0.00 58.65 56.91 1xkz h GLN 457 Cb 0.16 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1xkz h GLN 457 CO -0.02 1.01 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.60 1xkz h LEU 458 N 0.81 0.60 -0.05 1.46 4.07 -0.98 0.83 115.31 122.05 1xkz h LEU 458 Ca 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1xkz h LEU 458 Cb 0.65 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 1xkz h LEU 458 CO 0.04 0.81 0.01 0.11 -1.08 0.00 0.00 178.44 178.33 1xkz h LYS 459 N 0.54 0.08 -0.48 1.13 6.56 -1.11 -0.52 116.57 122.78 1xkz h LYS 459 Ca 0.08 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 1xkz h LYS 459 Cb 0.65 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1xkz h LYS 459 CO 0.05 0.32 0.14 1.96 -2.06 0.00 0.00 179.45 179.86 1xkz h GLN 460 N -0.17 0.71 0.00 3.15 4.20 -0.95 -2.40 115.11 119.65 1xkz h GLN 460 Ca 0.02 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1xkz h GLN 460 Cb 0.28 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1xkz h GLN 460 CO 0.00 0.63 -0.20 1.28 -0.67 0.00 0.00 178.83 179.87 1xkz n LEU 461 N -4.32 0.58 -3.57 1.46 4.77 0.26 -4.92 117.00 111.26 1xkz n LEU 461 Ca 0.03 0.42 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 1xkz n LEU 461 Cb 0.19 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1xkz n LEU 461 CO 0.39 -0.08 0.16 0.59 -1.33 0.00 0.00 177.39 177.11 1xkz n ASN 462 N -1.99 -4.18 -4.55 -1.43 3.02 -0.33 -4.77 115.26 101.03 1xkz n ASN 462 Ca 0.05 -0.62 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 1xkz n ASN 462 Cb 0.40 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.66 1xkz n ASN 462 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xkz s TYR 463 N -3.36 2.33 0.00 3.10 5.04 -0.46 -4.92 117.35 119.07 1xkz s TYR 463 Ca 0.33 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1xkz s TYR 463 Cb -0.15 -4.64 0.00 0.00 0.35 0.00 0.00 41.96 37.52 1xkz s TYR 463 CO 0.75 -2.05 0.00 0.41 -1.34 0.00 0.00 175.55 173.32 1xkz n GLY 464 N 5.72 2.78 0.05 8.97 0.00 -1.26 -1.69 105.19 119.76 1xkz n GLY 464 Ca 0.10 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1xkz n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xkz n ASN 465 N 1.69 0.19 -2.09 1.61 0.23 -0.25 -4.91 115.26 111.73 1xkz n ASN 465 Ca 0.00 -0.54 -0.11 0.00 -0.53 0.00 0.00 54.58 53.39 1xkz n ASN 465 Cb 0.00 -0.14 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 1xkz n ASN 465 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xkz n LYS 466 N -1.06 -1.96 -3.03 -3.83 5.02 -0.68 -4.90 118.16 107.71 1xkz n LYS 466 Ca 0.17 0.59 -0.44 0.00 -2.02 0.00 0.00 58.31 56.61 1xkz n LYS 466 Cb 0.22 -5.06 -0.05 0.00 -0.02 0.00 0.00 35.03 30.12 1xkz n LYS 466 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xkz s ASN 467 N -2.01 6.24 0.33 4.39 3.84 -1.26 -4.88 114.94 121.59 1xkz s ASN 467 Ca 0.00 -0.87 0.24 0.00 0.21 0.00 0.00 52.86 52.45 1xkz s ASN 467 Cb 0.00 -2.35 0.51 0.00 -0.55 0.00 0.00 41.25 38.86 1xkz s ASN 467 CO 0.00 -1.09 1.64 -0.07 -2.79 0.00 0.00 177.10 174.79 1xkz h LEU 468 N 10.30 0.00 0.00 3.21 3.38 -1.90 -2.30 115.31 127.99 1xkz h LEU 468 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1xkz h LEU 468 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xkz h LEU 468 CO 1.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1xkz n GLY 469 N 1.19 3.38 0.08 0.83 0.00 -1.26 -0.66 105.19 108.75 1xkz n GLY 469 Ca 0.04 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1xkz n GLY 469 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xkz n SER 470 N 4.04 0.41 -3.40 1.61 3.41 -1.26 -4.88 113.62 113.55 1xkz n SER 470 Ca 0.00 0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 59.00 1xkz n SER 470 Cb 0.00 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.34 1xkz n SER 470 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xkz n TYR 471 N -1.96 -2.68 0.00 7.33 9.36 0.16 -4.99 117.16 124.38 1xkz n TYR 471 Ca 0.02 0.95 0.00 0.00 3.32 0.00 0.00 57.90 62.20 1xkz n TYR 471 Cb 0.19 -4.81 0.00 0.00 -0.63 0.00 0.00 39.34 34.09 1xkz n TYR 471 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1xkz n LYS 472 N -4.69 0.00 -1.92 2.98 5.02 -1.26 -4.85 118.16 113.44 1xkz n LYS 472 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.88 1xkz n LYS 472 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.57 1xkz n LYS 472 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xkz n SER 473 N 0.00 8.04 0.29 4.39 7.64 -1.26 -4.72 113.62 128.00 1xkz n SER 473 Ca 0.00 -3.07 0.20 0.00 1.01 0.00 0.00 58.87 57.00 1xkz n SER 473 Cb 0.00 -1.39 1.00 0.00 -1.01 0.00 0.00 64.21 62.81 1xkz n SER 473 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1xkz h TYR 474 N 4.68 0.00 -0.01 1.43 -0.00 -1.88 -1.75 116.97 119.44 1xkz h TYR 474 Ca 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.45 1xkz h TYR 474 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.04 1xkz h TYR 474 CO 1.63 0.00 -0.26 -2.67 -0.00 0.00 0.00 178.16 176.85 1xkz n TRP 475 N -2.94 0.00 -3.42 0.10 2.14 -1.26 -2.40 117.44 109.67 1xkz n TRP 475 Ca -0.02 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.11 1xkz n TRP 475 Cb 0.12 -0.09 -0.04 0.00 -0.81 0.00 0.00 31.31 30.48 1xkz n TRP 475 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 1xkz s MET 476 N -2.45 3.26 -1.36 -2.67 -1.94 -0.66 -1.79 119.30 111.69 1xkz s MET 476 Ca 0.25 -2.35 -0.18 0.00 -1.71 0.00 0.00 55.69 51.70 1xkz s MET 476 Cb 0.19 -4.25 0.02 0.00 2.01 0.00 0.00 34.83 32.81 1xkz s MET 476 CO 0.51 -1.27 0.41 0.39 -0.01 0.00 0.00 175.02 175.05 1xkz n GLU 477 N 4.08 -0.85 0.00 2.03 -0.58 -1.26 -4.92 120.64 119.13 1xkz n GLU 477 Ca 0.08 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1xkz n GLU 477 Cb 0.44 -3.21 0.00 0.00 -0.57 0.00 0.00 31.44 28.10 1xkz n GLU 477 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xkz n ASP 478 N -2.54 0.00 0.01 1.62 -0.08 -1.26 -5.06 116.55 109.24 1xkz n ASP 478 Ca -0.21 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.94 1xkz n ASP 478 Cb 0.63 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.08 1xkz n ASP 478 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1xkz h SER 479 N 0.00 0.69 -3.19 1.67 4.64 -1.80 -3.45 113.55 112.11 1xkz h SER 479 Ca 0.00 -0.43 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 1xkz h SER 479 Cb 0.00 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1xkz h SER 479 CO 0.00 1.19 0.58 -0.22 -0.87 0.00 0.00 176.83 177.51 1xkz s LEU 480 N -8.21 4.33 0.01 5.97 2.96 -0.87 -4.63 118.68 118.23 1xkz s LEU 480 Ca -0.08 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1xkz s LEU 480 Cb 0.10 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1xkz s LEU 480 CO 0.86 -0.48 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.86 1xkz s LYS 481 N 1.54 0.20 -0.04 1.98 1.02 -1.26 -4.07 119.74 119.11 1xkz s LYS 481 Ca 0.56 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 56.17 1xkz s LYS 481 Cb -0.26 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1xkz s LYS 481 CO 0.26 -0.00 0.20 -1.50 -0.92 0.00 0.00 175.35 173.39 1xkz s ILE 482 N -0.64 0.04 0.58 2.17 2.07 -0.08 -1.09 121.20 124.25 1xkz s ILE 482 Ca -0.06 -0.32 -0.05 0.00 -1.41 0.00 0.00 60.65 58.81 1xkz s ILE 482 Cb -0.05 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.16 1xkz s ILE 482 CO -0.00 -0.17 0.88 -0.94 -1.91 0.00 0.00 174.94 172.79 1xkz s SER 483 N -0.63 5.54 0.21 4.50 1.04 -1.26 -1.21 113.70 121.90 1xkz s SER 483 Ca -0.07 0.62 -0.06 0.00 0.48 0.00 0.00 55.95 56.91 1xkz s SER 483 Cb -0.04 -1.60 0.17 0.00 0.10 0.00 0.00 66.02 64.65 1xkz s SER 483 CO 0.01 -1.07 1.68 -1.13 0.98 0.00 0.00 173.24 173.71 1xkz h ASN 484 N -0.14 0.92 -0.60 7.02 -1.24 -1.61 -0.49 115.58 119.43 1xkz h ASN 484 Ca -0.45 -0.26 -0.08 0.00 0.71 0.00 0.00 56.30 56.22 1xkz h ASN 484 Cb 1.26 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 40.04 1xkz h ASN 484 CO 0.60 1.00 0.08 0.25 -1.29 0.00 0.00 177.43 178.06 1xkz h LEU 485 N 0.85 0.98 -1.05 0.34 6.46 -1.40 -2.56 115.31 118.93 1xkz h LEU 485 Ca 0.15 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.57 1xkz h LEU 485 Cb 0.56 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1xkz h LEU 485 CO 0.03 1.00 -0.07 -0.33 -0.62 0.00 0.00 178.44 178.46 1xkz h GLU 486 N 0.92 0.60 -0.74 1.25 5.08 -1.70 -1.76 114.58 118.23 1xkz h GLU 486 Ca 0.18 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1xkz h GLU 486 Cb 0.46 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1xkz h GLU 486 CO 0.02 0.67 0.49 1.96 -1.00 0.00 0.00 179.01 181.14 1xkz h GLN 487 N 0.56 0.63 0.03 2.33 1.08 -0.67 0.27 115.11 119.33 1xkz h GLN 487 Ca 0.11 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1xkz h GLN 487 Cb 0.46 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1xkz h GLN 487 CO 0.02 0.42 -0.28 0.28 -0.95 0.00 0.00 178.83 178.32 1xkz h VAL 488 N 0.65 1.61 -0.25 -0.54 2.07 -1.37 -2.53 116.25 115.90 1xkz h VAL 488 Ca 0.34 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1xkz h VAL 488 Cb 0.46 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1xkz h VAL 488 CO -0.12 0.59 0.16 0.40 0.02 0.00 0.00 177.57 178.62 1xkz h ILE 489 N -0.62 1.07 -0.20 4.57 2.04 -0.82 -0.37 117.51 123.17 1xkz h ILE 489 Ca -0.04 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1xkz h ILE 489 Cb 1.12 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1xkz h ILE 489 CO 0.05 0.06 0.05 0.58 0.00 0.00 0.00 178.15 178.90 1xkz h VAL 490 N 0.33 1.21 -0.33 1.67 2.07 -0.61 -0.50 116.25 120.09 1xkz h VAL 490 Ca 0.09 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1xkz h VAL 490 Cb -0.03 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1xkz h VAL 490 CO -0.02 0.21 0.03 0.15 0.02 0.00 0.00 177.57 177.96 1xkz h PHE 491 N 0.14 0.60 -0.18 1.57 3.57 -1.36 -0.31 116.94 120.97 1xkz h PHE 491 Ca 0.06 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1xkz h PHE 491 Cb 0.28 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1xkz h PHE 491 CO 0.01 0.65 0.03 -0.22 -2.23 0.00 0.00 178.31 176.55 1xkz h LYS 492 N 0.38 0.09 -0.47 1.11 3.11 -1.03 -1.19 116.57 118.56 1xkz h LYS 492 Ca 0.10 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 1xkz h LYS 492 Cb 0.39 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1xkz h LYS 492 CO 0.01 0.06 0.19 -0.91 -2.81 0.00 0.00 179.45 175.99 1xkz h ASN 493 N 0.10 0.65 -0.92 4.20 2.35 -1.01 0.66 115.58 121.61 1xkz h ASN 493 Ca 0.08 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1xkz h ASN 493 Cb 0.08 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 1xkz h ASN 493 CO -0.12 0.64 0.60 -0.03 -1.65 0.00 0.00 177.43 176.87 1xkz h MET 494 N 0.62 1.13 0.23 0.81 4.05 -0.82 -1.77 114.93 119.19 1xkz h MET 494 Ca 0.16 -0.07 -0.32 0.00 -0.28 0.00 0.00 59.70 59.19 1xkz h MET 494 Cb 0.19 -0.25 0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1xkz h MET 494 CO -0.01 0.75 -1.42 0.52 0.23 0.00 0.00 176.91 176.97 1xkz h MET 495 N 1.16 0.49 0.00 0.39 2.86 -1.01 -3.39 114.93 115.44 1xkz h MET 495 Ca 0.37 -0.85 -0.12 0.00 -2.06 0.00 0.00 59.70 57.04 1xkz h MET 495 Cb -0.01 0.31 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1xkz h MET 495 CO -0.12 1.40 -1.10 0.93 1.06 0.00 0.00 176.91 179.09 1xkz h GLU 496 N 0.07 0.00 -6.77 1.72 4.39 -0.84 -3.47 114.58 109.68 1xkz h GLU 496 Ca -0.25 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.96 1xkz h GLU 496 Cb 2.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.72 1xkz h GLU 496 CO 0.25 0.29 0.15 -0.65 -1.16 0.00 0.00 179.01 177.89 1xkz s GLN 497 N -3.00 4.10 -1.55 2.33 -0.21 -0.67 -4.96 119.66 115.69 1xkz s GLN 497 Ca -0.01 0.81 -0.11 0.00 0.02 0.00 0.00 55.36 56.08 1xkz s GLN 497 Cb 0.08 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1xkz s GLN 497 CO 0.79 0.16 2.71 0.09 -2.12 0.00 0.00 175.29 176.92 1xkz n ASN 498 N -0.22 7.43 -2.46 5.90 5.03 -1.26 -4.93 115.26 124.74 1xkz n ASN 498 Ca 0.03 -2.70 0.00 0.00 0.87 0.00 0.00 54.58 52.79 1xkz n ASN 498 Cb 0.53 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.72 1xkz n ASN 498 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1xkz n ASN 499 N 4.06 0.00 0.01 6.41 2.04 -1.26 -4.96 115.26 121.56 1xkz n ASN 499 Ca 0.70 -0.37 0.12 0.00 -0.44 0.00 0.00 54.58 54.59 1xkz n ASN 499 Cb 0.27 0.00 0.53 0.00 -2.53 0.00 0.00 39.78 38.06 1xkz n ASN 499 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1xkz n HIS 500 N -0.71 0.06 -2.68 -2.53 1.44 -1.26 -4.74 115.22 104.80 1xkz n HIS 500 Ca 0.00 0.02 -0.41 0.00 -2.01 0.00 0.00 57.72 55.32 1xkz n HIS 500 Cb 0.00 -0.53 -0.04 0.00 0.12 0.00 0.00 29.99 29.54 1xkz n HIS 500 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xkz s PHE 501 N -3.01 3.74 0.66 -1.40 0.40 -1.26 -5.02 117.98 112.09 1xkz s PHE 501 Ca 0.12 1.73 -0.14 0.00 -0.60 0.00 0.00 56.93 58.04 1xkz s PHE 501 Cb 0.16 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1xkz s PHE 501 CO 0.47 -0.02 1.10 -1.54 0.70 0.00 0.00 175.22 175.92 1xkz s SER 502 N 0.14 5.13 0.23 1.36 1.04 -1.26 -4.92 113.70 115.42 1xkz s SER 502 Ca 0.48 1.94 -0.05 0.00 0.48 0.00 0.00 55.95 58.81 1xkz s SER 502 Cb -0.24 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.56 1xkz s SER 502 CO 0.30 -1.61 1.72 0.07 0.98 0.00 0.00 173.24 174.70 1xkz h LYS 503 N -0.07 0.92 -0.37 4.02 -0.00 -1.96 -1.89 116.57 117.23 1xkz h LYS 503 Ca -0.46 -0.26 0.04 0.00 -0.00 0.00 0.00 60.65 59.97 1xkz h LYS 503 Cb 1.24 -0.10 -0.04 0.00 -0.00 0.00 0.00 32.23 33.33 1xkz h LYS 503 CO 0.54 0.90 0.14 1.57 -0.00 0.00 0.00 179.45 182.60 1xkz h LYS 504 N 0.86 0.29 -0.08 0.07 5.09 -1.99 0.61 116.57 121.42 1xkz h LYS 504 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.88 1xkz h LYS 504 Cb 0.47 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.73 1xkz h LYS 504 CO 0.02 0.19 0.04 0.00 -2.09 0.00 0.00 179.45 177.61 1xkz h ALA 505 N 1.23 0.11 -0.92 0.07 0.00 -1.88 -1.37 119.26 116.49 1xkz h ALA 505 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xkz h ALA 505 Cb 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1xkz h ALA 505 CO -0.16 -0.33 0.61 0.87 0.00 0.00 0.00 179.25 180.24 1xkz h LYS 506 N 0.01 1.14 -0.11 0.00 1.57 -1.05 -0.61 116.57 117.52 1xkz h LYS 506 Ca 0.03 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1xkz h LYS 506 Cb 0.12 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1xkz h LYS 506 CO -0.00 0.76 -0.50 -0.91 -0.57 0.00 0.00 179.45 178.22 1xkz h ASN 507 N 1.18 0.33 -0.32 0.86 2.35 -0.62 0.61 115.58 119.97 1xkz h ASN 507 Ca 0.36 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 1xkz h ASN 507 Cb -0.02 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1xkz h ASN 507 CO -0.10 0.78 -0.32 -0.61 -1.65 0.00 0.00 177.43 175.53 1xkz h GLN 508 N 0.24 0.78 -0.25 0.81 4.15 -0.81 -1.13 115.11 118.89 1xkz h GLN 508 Ca 0.01 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1xkz h GLN 508 Cb 0.97 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1xkz h GLN 508 CO 0.08 1.04 0.14 1.25 -1.93 0.00 0.00 178.83 179.41 1xkz h LEU 509 N 0.54 0.30 -0.52 -2.39 5.85 -0.88 -2.47 115.31 115.75 1xkz h LEU 509 Ca 0.05 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1xkz h LEU 509 Cb 0.90 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1xkz h LEU 509 CO 0.08 0.28 0.23 0.28 -0.34 0.00 0.00 178.44 178.97 1xkz h SER 510 N 0.30 0.30 -0.97 1.25 0.02 -0.67 -1.69 113.55 112.09 1xkz h SER 510 Ca 0.09 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1xkz h SER 510 Cb 0.04 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 1xkz h SER 510 CO -0.02 0.21 0.63 -1.28 -1.14 0.00 0.00 176.83 175.23 1xkz h SER 511 N 0.45 0.96 0.82 3.07 0.87 -1.08 -0.58 113.55 118.06 1xkz h SER 511 Ca 0.24 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1xkz h SER 511 Cb 0.20 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1xkz h SER 511 CO -0.20 0.59 -0.23 0.77 -0.53 0.00 0.00 176.83 177.23 1xkz h SER 512 N 1.07 0.00 0.15 6.23 4.64 -0.86 -2.92 113.55 121.86 1xkz h SER 512 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1xkz h SER 512 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xkz h SER 512 CO -0.19 0.23 -0.36 0.18 -0.87 0.00 0.00 176.83 175.83 1xkz n LEU 513 N -3.45 1.35 -4.72 5.97 7.99 -0.30 -4.48 117.00 119.35 1xkz n LEU 513 Ca -0.00 -0.43 -0.42 0.00 -0.01 0.00 0.00 56.01 55.15 1xkz n LEU 513 Cb 0.41 -0.08 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 1xkz n LEU 513 CO 0.33 0.25 1.15 -0.22 -1.51 0.00 0.00 177.39 177.39 1xkz s LEU 514 N -2.52 4.37 -0.11 2.23 2.96 -0.74 -1.22 118.68 123.66 1xkz s LEU 514 Ca 0.22 2.51 -0.03 0.00 -0.22 0.00 0.00 54.13 56.60 1xkz s LEU 514 Cb 0.19 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1xkz s LEU 514 CO 0.55 -0.74 -0.12 -0.38 -1.32 0.00 0.00 176.35 174.34 1xkz n ILE 515 N 3.75 0.59 -3.86 6.68 2.08 0.32 -4.93 119.36 123.99 1xkz n ILE 515 Ca 0.12 -0.17 -0.12 0.00 0.56 0.00 0.00 62.75 63.14 1xkz n ILE 515 Cb 0.40 -1.39 -0.13 0.00 -0.75 0.00 0.00 39.64 37.77 1xkz n ILE 515 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1xkz s LYS 516 N -2.20 0.13 -0.03 0.38 2.20 -0.99 -5.00 119.74 114.24 1xkz s LYS 516 Ca -0.15 -0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1xkz s LYS 516 Cb 0.05 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1xkz s LYS 516 CO 0.20 -0.02 0.04 0.21 -0.36 0.00 0.00 175.35 175.42 1xkz s LYS 517 N -0.23 -0.03 0.00 4.03 2.20 -1.26 -0.28 119.74 124.16 1xkz s LYS 517 Ca -0.03 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1xkz s LYS 517 Cb -0.02 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1xkz s LYS 517 CO 0.00 -0.21 0.00 0.27 -0.36 0.00 0.00 175.35 175.05 1xkz n ASN 518 N 4.45 0.28 0.26 1.43 2.04 -0.45 -5.02 115.26 118.26 1xkz n ASN 518 Ca -0.22 -0.75 0.17 0.00 -0.44 0.00 0.00 54.58 53.34 1xkz n ASN 518 Cb 0.50 0.00 0.78 0.00 -2.53 0.00 0.00 39.78 38.53 1xkz n ASN 518 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1xkz h GLU 519 N 0.00 0.00 0.02 -3.83 4.11 -2.03 -3.24 114.58 109.61 1xkz h GLU 519 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.06 1xkz h GLU 519 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1xkz h GLU 519 CO 0.00 0.00 -2.30 1.63 0.07 0.00 0.00 179.01 178.41 1xkz n LYS 520 N -2.91 0.68 -3.86 1.06 5.02 -1.26 -4.95 118.16 111.93 1xkz n LYS 520 Ca -0.00 0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1xkz n LYS 520 Cb 0.22 -1.58 -0.01 0.00 -0.02 0.00 0.00 35.03 33.65 1xkz n LYS 520 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1xkz s TYR 521 N -2.52 -0.09 -0.10 2.13 -0.85 -1.23 -3.83 117.35 110.85 1xkz s TYR 521 Ca -0.22 -0.42 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1xkz s TYR 521 Cb 0.08 0.71 0.02 0.00 0.38 0.00 0.00 41.96 43.15 1xkz s TYR 521 CO 0.72 -1.31 -0.13 -1.21 -1.52 0.00 0.00 175.55 172.11 1xkz s GLU 522 N -3.55 1.94 -0.10 -3.49 2.02 -0.66 -1.34 118.70 113.52 1xkz s GLU 522 Ca 0.13 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1xkz s GLU 522 Cb -0.06 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 1xkz s GLU 522 CO 0.08 -0.11 -0.11 -1.17 0.02 0.00 0.00 175.26 173.97 1xkz s LEU 523 N 1.15 2.87 0.08 1.80 0.20 0.61 -0.56 118.68 124.84 1xkz s LEU 523 Ca -0.04 -0.22 0.07 0.00 0.69 0.00 0.00 54.13 54.63 1xkz s LEU 523 Cb -0.14 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1xkz s LEU 523 CO -0.03 0.24 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.77 1xkz s TYR 524 N -0.09 1.60 0.00 5.38 1.51 0.71 -0.52 117.35 125.94 1xkz s TYR 524 Ca -0.01 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1xkz s TYR 524 Cb -0.14 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1xkz s TYR 524 CO 0.03 0.14 0.00 0.41 -1.11 0.00 0.00 175.55 175.03 1xkz n GLY 525 N 1.26 0.48 2.86 0.71 0.00 -0.36 -1.21 105.19 108.94 1xkz n GLY 525 Ca -0.20 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1xkz n GLY 525 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xkz s LYS 526 N -2.00 0.04 0.57 1.61 2.47 0.97 -4.81 119.74 118.59 1xkz s LYS 526 Ca 0.00 0.27 -0.06 0.00 -1.56 0.00 0.00 55.97 54.62 1xkz s LYS 526 Cb 0.00 -0.19 -0.00 0.00 -1.46 0.00 0.00 37.83 36.18 1xkz s LYS 526 CO 0.00 -0.15 0.88 0.95 0.16 0.00 0.00 175.35 177.19 1xkz s THR 527 N 1.02 3.93 -0.13 3.43 -4.23 -1.26 -1.43 115.64 116.96 1xkz s THR 527 Ca -0.08 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1xkz s THR 527 Cb -0.11 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1xkz s THR 527 CO -0.04 -0.56 0.34 -0.83 -0.54 0.00 0.00 174.62 172.99 1xkz s GLY 528 N -4.26 -0.26 -0.07 3.99 0.00 -0.41 -3.97 107.32 102.34 1xkz s GLY 528 Ca 0.53 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 1xkz s GLY 528 CO 0.45 1.01 0.14 -1.59 0.00 0.00 0.00 173.10 173.11 1xkz s THR 529 N 0.48 -0.08 0.05 0.90 2.01 -1.26 -0.77 115.64 116.96 1xkz s THR 529 Ca -0.02 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1xkz s THR 529 Cb -0.04 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 1xkz s THR 529 CO -0.02 0.09 -0.14 -0.83 -0.69 0.00 0.00 174.62 173.02 1xkz s GLY 530 N 1.34 1.67 -0.10 4.40 0.00 -0.29 -4.80 107.32 109.55 1xkz s GLY 530 Ca -0.07 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 1xkz s GLY 530 CO -0.06 -1.09 -0.05 -0.42 0.00 0.00 0.00 173.10 171.48 1xkz s ILE 531 N -1.02 0.83 -0.04 0.90 1.09 -1.26 -1.32 121.20 120.38 1xkz s ILE 531 Ca 0.17 -0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1xkz s ILE 531 Cb -0.11 -0.89 0.03 0.00 -1.06 0.00 0.00 42.46 40.43 1xkz s ILE 531 CO 0.08 0.33 -0.00 0.68 -0.10 0.00 0.00 174.94 175.93 1xkz s VAL 532 N 1.74 0.27 -1.30 2.92 -7.23 -0.34 -4.78 120.40 111.67 1xkz s VAL 532 Ca 0.04 0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.26 1xkz s VAL 532 Cb -0.13 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1xkz s VAL 532 CO -0.07 0.19 0.39 -0.46 -0.31 0.00 0.00 175.10 174.84 1xkz n ASN 533 N 4.44 -5.21 0.00 4.85 6.94 -1.26 -2.81 115.26 122.22 1xkz n ASN 533 Ca -0.20 -0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.18 1xkz n ASN 533 Cb 0.50 -4.11 0.00 0.00 -2.36 0.00 0.00 39.78 33.82 1xkz n ASN 533 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xkz n GLY 534 N -1.30 2.47 3.55 4.83 0.00 -1.26 -5.02 105.19 108.45 1xkz n GLY 534 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1xkz n GLY 534 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xkz s LYS 535 N -0.09 2.16 0.33 1.61 2.36 -1.12 -5.08 119.74 119.90 1xkz s LYS 535 Ca 0.00 -0.98 -0.29 0.00 -2.55 0.00 0.00 55.97 52.15 1xkz s LYS 535 Cb 0.00 -2.30 -0.10 0.00 -1.05 0.00 0.00 37.83 34.38 1xkz s LYS 535 CO 0.00 0.53 1.38 0.71 1.55 0.00 0.00 175.35 179.51 1xkz s TYR 536 N -1.11 2.93 0.00 4.03 2.02 -1.26 -1.20 117.35 122.75 1xkz s TYR 536 Ca 0.19 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 1xkz s TYR 536 Cb -0.11 -3.79 0.00 0.00 -0.40 0.00 0.00 41.96 37.66 1xkz s TYR 536 CO 0.11 -2.28 0.11 0.27 -1.57 0.00 0.00 175.55 172.18 1xkz n ASN 537 N 1.00 0.22 -3.15 2.29 2.04 -0.43 -4.48 115.26 112.74 1xkz n ASN 537 Ca 0.01 -0.77 0.04 0.00 -0.44 0.00 0.00 54.58 53.43 1xkz n ASN 537 Cb 0.41 0.08 -0.01 0.00 -2.53 0.00 0.00 39.78 37.73 1xkz n ASN 537 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1xkz s ASN 538 N -0.08 -1.36 0.01 0.53 3.04 -1.22 -4.71 114.94 111.14 1xkz s ASN 538 Ca 0.00 0.55 0.08 0.00 0.04 0.00 0.00 52.86 53.54 1xkz s ASN 538 Cb 0.00 2.02 -0.02 0.00 -1.54 0.00 0.00 41.25 41.71 1xkz s ASN 538 CO 0.00 -0.25 -0.26 -0.83 -3.04 0.00 0.00 177.10 172.72 1xkz s GLY 539 N 2.86 1.30 0.04 1.21 0.00 -0.26 -1.14 107.32 111.33 1xkz s GLY 539 Ca 0.16 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1xkz s GLY 539 CO -0.22 -1.01 -0.06 -0.98 0.00 0.00 0.00 173.10 170.83 1xkz s TRP 540 N -0.69 0.56 -0.12 1.90 0.52 0.05 -0.29 118.94 120.88 1xkz s TRP 540 Ca 0.10 -0.64 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 1xkz s TRP 540 Cb -0.10 -0.35 0.06 0.00 -1.15 0.00 0.00 33.47 31.93 1xkz s TRP 540 CO 0.00 -0.16 0.20 0.12 0.02 0.00 0.00 176.95 177.13 1xkz s PHE 541 N -2.03 -0.27 -0.07 -1.98 5.36 -0.71 -1.29 117.98 117.01 1xkz s PHE 541 Ca -0.07 0.67 0.04 0.00 -0.96 0.00 0.00 56.93 56.61 1xkz s PHE 541 Cb -0.06 -0.21 -0.00 0.00 -0.34 0.00 0.00 43.02 42.41 1xkz s PHE 541 CO -0.02 -0.34 -0.20 0.08 -1.46 0.00 0.00 175.22 173.28 1xkz s VAL 542 N 2.34 1.69 0.00 3.12 1.01 -0.51 -0.63 120.40 127.41 1xkz s VAL 542 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1xkz s VAL 542 Cb -0.13 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1xkz s VAL 542 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1xkz n GLY 543 N 3.33 1.45 3.34 4.51 0.00 -0.58 -0.02 105.19 117.23 1xkz n GLY 543 Ca -0.19 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1xkz n GLY 543 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xkz s TYR 544 N -2.62 -0.30 -0.04 1.61 -0.85 -0.35 -1.17 117.35 113.63 1xkz s TYR 544 Ca 0.00 0.21 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 1xkz s TYR 544 Cb 0.00 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.61 1xkz s TYR 544 CO 0.00 -0.64 -0.19 0.08 -1.52 0.00 0.00 175.55 173.28 1xkz s VAL 545 N -2.87 1.58 -0.22 -3.49 1.01 0.23 -0.20 120.40 116.43 1xkz s VAL 545 Ca -0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1xkz s VAL 545 Cb -0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xkz s VAL 545 CO -0.05 0.45 -0.01 -0.63 0.00 0.00 0.00 175.10 174.85 1xkz s ILE 546 N -0.06 3.65 0.48 2.22 1.01 0.28 -0.92 121.20 127.85 1xkz s ILE 546 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1xkz s ILE 546 Cb -0.12 -2.67 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1xkz s ILE 546 CO 0.02 0.41 0.40 0.35 0.00 0.00 0.00 174.94 176.12 1xkz n THR 547 N 4.72 0.00 0.00 2.92 -2.24 -0.23 -1.65 114.28 117.80 1xkz n THR 547 Ca -0.18 -1.86 0.10 0.00 -2.27 0.00 0.00 64.05 59.84 1xkz n THR 547 Cb 0.51 -0.16 0.52 0.00 -2.10 0.00 0.00 70.33 69.10 1xkz n THR 547 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xkz h ASN 548 N 0.50 0.31 0.00 3.42 -1.07 -1.83 -3.31 115.58 113.60 1xkz h ASN 548 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.08 1xkz h ASN 548 Cb 1.10 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 1xkz h ASN 548 CO 0.45 0.20 0.00 0.00 0.07 0.00 0.00 177.43 178.15 1xkz n HIS 549 N -4.47 0.00 -3.95 4.14 -0.00 -1.26 -5.09 115.22 104.58 1xkz n HIS 549 Ca 0.06 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.72 57.47 1xkz n HIS 549 Cb 0.26 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.99 30.19 1xkz n HIS 549 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xkz s ASP 550 N -0.43 0.06 -0.04 4.39 -1.08 -1.25 -4.89 116.67 113.43 1xkz s ASP 550 Ca 0.00 -0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1xkz s ASP 550 Cb 0.00 0.67 0.03 0.00 -1.46 0.00 0.00 42.92 42.16 1xkz s ASP 550 CO 0.00 -1.30 0.03 -0.75 0.52 0.00 0.00 175.17 173.67 1xkz s LYS 551 N -3.56 0.12 -0.11 4.34 2.20 -1.26 -1.07 119.74 120.41 1xkz s LYS 551 Ca 0.20 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1xkz s LYS 551 Cb -0.02 -0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 35.79 1xkz s LYS 551 CO 0.11 -0.24 -0.20 0.71 -0.36 0.00 0.00 175.35 175.38 1xkz s TYR 552 N 1.57 2.65 -0.02 4.03 1.51 -0.10 -1.46 117.35 125.53 1xkz s TYR 552 Ca -0.02 -0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 55.14 1xkz s TYR 552 Cb -0.13 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1xkz s TYR 552 CO -0.03 -0.31 0.20 0.71 -1.11 0.00 0.00 175.55 175.00 1xkz s TYR 553 N 0.29 3.56 0.20 2.71 1.51 -0.27 -0.60 117.35 124.76 1xkz s TYR 553 Ca -0.14 0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 56.19 1xkz s TYR 553 Cb -0.17 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1xkz s TYR 553 CO 0.07 0.65 0.49 -0.59 -1.11 0.00 0.00 175.55 175.06 1xkz s PHE 554 N -1.28 0.04 -0.27 2.71 -0.12 -0.31 -0.35 117.98 118.40 1xkz s PHE 554 Ca 0.26 -0.40 -0.23 0.00 -0.05 0.00 0.00 56.93 56.50 1xkz s PHE 554 Cb -0.13 0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.64 1xkz s PHE 554 CO 0.16 -0.92 0.73 0.00 -0.05 0.00 0.00 175.22 175.15 1xkz s ALA 555 N -3.92 -1.81 -0.09 1.99 0.00 -0.26 -1.52 121.76 116.15 1xkz s ALA 555 Ca 0.13 2.09 0.01 0.00 0.00 0.00 0.00 51.96 54.19 1xkz s ALA 555 Cb -0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1xkz s ALA 555 CO 0.00 -0.34 -0.13 0.99 0.00 0.00 0.00 175.76 176.29 1xkz s THR 556 N 0.58 3.15 -0.06 0.00 2.01 0.19 -1.13 115.64 120.39 1xkz s THR 556 Ca -0.02 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1xkz s THR 556 Cb -0.05 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1xkz s THR 556 CO -0.03 0.56 -0.18 -2.28 -0.69 0.00 0.00 174.62 172.00 1xkz s HIS 557 N -0.21 1.88 -0.13 4.92 2.46 -0.41 -1.74 115.29 122.07 1xkz s HIS 557 Ca 0.01 -0.65 -0.01 0.00 0.47 0.00 0.00 55.06 54.88 1xkz s HIS 557 Cb -0.13 -1.29 -0.02 0.00 -0.13 0.00 0.00 32.58 31.01 1xkz s HIS 557 CO 0.03 -0.26 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.43 1xkz s LEU 558 N 0.28 2.90 -0.00 8.88 1.43 0.61 -1.36 118.68 131.41 1xkz s LEU 558 Ca -0.10 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1xkz s LEU 558 Cb -0.14 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 1xkz s LEU 558 CO 0.04 0.19 0.22 -1.54 0.23 0.00 0.00 176.35 175.49 1xkz n SER 559 N 3.38 0.69 -3.70 2.29 3.41 0.31 -1.11 113.62 118.90 1xkz n SER 559 Ca -0.18 -0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 57.79 1xkz n SER 559 Cb 0.53 1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.48 1xkz n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xkz s ASP 560 N -1.65 -0.31 0.00 4.04 -1.08 -1.15 -4.82 116.67 111.70 1xkz s ASP 560 Ca 0.02 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1xkz s ASP 560 Cb 0.04 0.60 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 1xkz s ASP 560 CO 0.22 -1.07 0.00 0.61 0.52 0.00 0.00 175.17 175.45 1xkz n GLY 561 N -0.36 0.99 2.45 2.66 0.00 -1.26 -0.41 105.19 109.27 1xkz n GLY 561 Ca -0.11 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.76 1xkz n GLY 561 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xkz n LYS 562 N 0.00 1.22 -1.92 1.61 4.76 -1.26 -5.01 118.16 117.56 1xkz n LYS 562 Ca 0.00 -3.81 -0.41 0.00 -2.87 0.00 0.00 58.31 51.21 1xkz n LYS 562 Cb 0.00 -1.81 -0.01 0.00 -1.84 0.00 0.00 35.03 31.37 1xkz n LYS 562 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xkz n PRO 563 N 1.80 2.68 -4.02 1.97 -0.04 -1.26 -4.77 135.00 131.35 1xkz n PRO 563 Ca 0.25 -2.68 -0.22 0.00 -0.04 0.00 0.00 63.50 60.81 1xkz n PRO 563 Cb 0.45 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.53 1xkz n PRO 563 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xkz s SER 564 N 3.98 5.25 0.35 3.54 1.04 -1.26 -1.93 113.70 124.67 1xkz s SER 564 Ca 0.52 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1xkz s SER 564 Cb 0.10 -1.12 0.64 0.00 0.10 0.00 0.00 66.02 65.74 1xkz s SER 564 CO 0.00 -0.17 1.88 1.23 0.98 0.00 0.00 173.24 177.16 1xkz h GLY 565 N 1.45 0.51 1.00 7.32 0.00 -1.72 -0.62 103.07 111.01 1xkz h GLY 565 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1xkz h GLY 565 CO 0.60 0.28 0.26 0.07 0.00 0.00 0.00 176.54 177.75 1xkz h LYS 566 N 0.45 0.54 -0.18 4.80 5.09 -1.87 0.62 116.57 126.01 1xkz h LYS 566 Ca 0.10 -0.04 -0.13 0.00 0.09 0.00 0.00 60.65 60.66 1xkz h LYS 566 Cb 0.34 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 1xkz h LYS 566 CO 0.01 0.37 -0.46 -0.91 -2.09 0.00 0.00 179.45 176.38 1xkz h ASN 567 N 0.54 0.50 -0.67 7.07 2.35 -1.80 -1.41 115.58 122.17 1xkz h ASN 567 Ca 0.15 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1xkz h ASN 567 Cb -0.04 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1xkz h ASN 567 CO -0.03 0.88 0.12 0.00 -1.65 0.00 0.00 177.43 176.75 1xkz h ALA 568 N 1.14 0.92 -0.53 -0.83 0.00 -0.61 -0.30 119.26 119.05 1xkz h ALA 568 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1xkz h ALA 568 Cb 0.95 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xkz h ALA 568 CO 0.08 0.67 -0.06 1.49 0.00 0.00 0.00 179.25 181.43 1xkz h GLU 569 N 1.04 0.98 -0.23 0.00 4.81 -0.65 -1.21 114.58 119.32 1xkz h GLU 569 Ca 0.21 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1xkz h GLU 569 Cb 0.43 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xkz h GLU 569 CO 0.01 1.01 0.11 -0.07 -0.73 0.00 0.00 179.01 179.34 1xkz h LEU 570 N 0.85 0.30 -0.37 1.64 3.38 -0.93 -1.13 115.31 119.05 1xkz h LEU 570 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xkz h LEU 570 Cb 0.61 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xkz h LEU 570 CO 0.04 0.35 0.23 0.40 0.09 0.00 0.00 178.44 179.55 1xkz h ILE 571 N 0.23 1.11 -0.52 1.22 2.04 -1.05 -1.68 117.51 118.86 1xkz h ILE 571 Ca 0.08 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1xkz h ILE 571 Cb 0.13 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1xkz h ILE 571 CO -0.01 0.10 0.25 0.28 0.00 0.00 0.00 178.15 178.78 1xkz h SER 572 N 0.49 0.35 -0.73 1.72 0.02 -0.97 -1.04 113.55 113.39 1xkz h SER 572 Ca 0.13 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1xkz h SER 572 Cb -0.03 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1xkz h SER 572 CO -0.03 0.24 0.30 -0.33 -1.14 0.00 0.00 176.83 175.87 1xkz h GLU 573 N 0.49 1.10 -0.39 3.45 3.07 -0.99 -0.51 114.58 120.80 1xkz h GLU 573 Ca 0.23 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.79 1xkz h GLU 573 Cb 0.16 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1xkz h GLU 573 CO -0.17 0.89 -0.22 1.57 -1.40 0.00 0.00 179.01 179.68 1xkz h LYS 574 N 1.08 0.76 -0.08 2.33 2.10 -0.92 -1.18 116.57 120.65 1xkz h LYS 574 Ca 0.25 -0.30 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 1xkz h LYS 574 Cb 0.20 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1xkz h LYS 574 CO -0.02 0.91 -0.20 0.82 -2.00 0.00 0.00 179.45 178.96 1xkz h ILE 575 N 0.66 1.41 -1.00 0.07 2.04 -0.88 -1.27 117.51 118.55 1xkz h ILE 575 Ca 0.09 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.48 1xkz h ILE 575 Cb 0.72 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.93 1xkz h ILE 575 CO 0.06 0.43 0.65 -0.07 0.00 0.00 0.00 178.15 179.22 1xkz h LEU 576 N -0.19 1.07 -0.02 1.44 3.38 -0.99 0.71 115.31 120.71 1xkz h LEU 576 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xkz h LEU 576 Cb 0.80 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xkz h LEU 576 CO 0.04 0.71 0.01 0.11 0.09 0.00 0.00 178.44 179.40 1xkz h LYS 577 N 1.23 0.03 0.00 1.13 1.57 -1.15 -0.78 116.57 118.60 1xkz h LYS 577 Ca 0.41 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1xkz h LYS 577 Cb 0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1xkz h LYS 577 CO -0.14 0.21 -0.14 1.49 -0.57 0.00 0.00 179.45 180.31 1xkz h GLU 578 N -0.16 0.00 -0.01 3.15 4.22 -0.83 -2.07 114.58 118.88 1xkz h GLU 578 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1xkz h GLU 578 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xkz h GLU 578 CO -0.00 0.14 -0.03 -1.33 -2.18 0.00 0.00 179.01 175.61 1xkz n MET 579 N -3.65 1.54 -0.87 1.92 2.81 0.21 -4.91 117.12 114.17 1xkz n MET 579 Ca -0.02 -0.88 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 1xkz n MET 579 Cb 0.26 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1xkz n MET 579 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xkz n GLY 580 N 1.19 0.47 0.16 3.03 0.00 -0.78 -4.95 105.19 104.31 1xkz n GLY 580 Ca 0.18 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.38 1xkz n GLY 580 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xkz h VAL 581 N 0.00 0.31 -0.32 1.61 2.07 -1.33 -3.35 116.25 115.23 1xkz h VAL 581 Ca 0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1xkz h VAL 581 Cb 0.00 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1xkz h VAL 581 CO 0.00 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1xkz n LEU 582 N -3.03 3.34 -1.19 2.57 4.77 -1.24 -4.58 117.00 117.64 1xkz n LEU 582 Ca 0.01 -2.40 0.09 0.00 -0.03 0.00 0.00 56.01 53.68 1xkz n LEU 582 Cb 0.63 -0.36 0.27 0.00 -2.33 0.00 0.00 43.42 41.63 1xkz n LEU 582 CO 0.38 0.71 0.73 -0.46 -1.33 0.00 0.00 177.39 177.42 1xkz n ASN 583 N 0.14 3.47 0.00 -1.43 0.23 -1.26 -4.90 115.26 111.53 1xkz n ASN 583 Ca 0.16 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1xkz n ASN 583 Cb 0.62 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1xkz n ASN 583 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xkz n GLY 584 N 1.26 3.29 3.33 4.83 0.00 -1.26 -5.12 105.19 111.51 1xkz n GLY 584 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xkz n GLY 584 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26