#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kom s SER 450 N 0.00 2.18 0.18 1.61 0.01 -1.26 -4.98 113.70 111.44 2kom s SER 450 Ca 0.00 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.97 2kom s SER 450 Cb 0.00 -0.93 0.04 0.00 0.21 0.00 0.00 66.02 65.34 2kom s SER 450 CO 0.00 -0.04 1.42 0.22 0.41 0.00 0.00 173.24 175.25 2kom h TYR 451 N 7.65 0.12 -3.41 2.43 3.20 -2.12 -3.38 116.97 121.46 2kom h TYR 451 Ca -0.31 -0.07 -0.71 0.00 3.14 0.00 0.00 58.73 60.78 2kom h TYR 451 Cb 1.16 -0.01 -0.32 0.00 1.54 0.00 0.00 36.73 39.10 2kom h TYR 451 CO 0.48 0.87 -0.48 1.21 -1.64 0.00 0.00 178.16 178.61 2kom s ASN 452 N -6.84 5.48 -0.35 -2.11 2.47 -1.26 -5.06 114.94 107.27 2kom s ASN 452 Ca -0.01 -1.89 -0.15 0.00 0.42 0.00 0.00 52.86 51.22 2kom s ASN 452 Cb 0.11 -1.92 -0.01 0.00 -1.45 0.00 0.00 41.25 37.98 2kom s ASN 452 CO 0.81 -0.60 0.37 -0.89 -3.72 0.00 0.00 177.10 173.07 2kom s THR 453 N 1.27 5.16 -0.44 -5.21 2.01 -1.26 -5.01 115.64 112.16 2kom s THR 453 Ca 0.06 -0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2kom s THR 453 Cb -0.24 -3.85 0.14 0.00 0.01 0.00 0.00 72.50 68.56 2kom s THR 453 CO -0.02 -0.14 0.26 -0.54 -0.69 0.00 0.00 174.62 173.50 2kom s LYS 454 N 2.03 1.21 0.22 4.92 1.02 -1.26 -5.07 119.74 122.81 2kom s LYS 454 Ca 0.12 -1.99 0.10 0.00 0.02 0.00 0.00 55.97 54.21 2kom s LYS 454 Cb -0.17 -2.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 2kom s LYS 454 CO 0.12 -1.20 -0.19 0.15 -0.92 0.00 0.00 175.35 173.31 2kom s LYS 455 N 0.32 1.45 -1.32 1.68 -0.14 -1.26 -5.04 119.74 115.44 2kom s LYS 455 Ca 0.20 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 53.08 2kom s LYS 455 Cb -0.20 -1.49 0.10 0.00 -1.68 0.00 0.00 37.83 34.57 2kom s LYS 455 CO -0.03 0.29 1.85 0.44 -0.76 0.00 0.00 175.35 177.14 2kom n ILE 456 N -0.18 3.96 0.00 2.17 -5.35 -1.26 -4.67 119.36 114.02 2kom n ILE 456 Ca -0.09 -3.99 0.00 0.00 -0.27 0.00 0.00 62.75 58.40 2kom n ILE 456 Cb 0.59 -2.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.04 2kom n ILE 456 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kom n GLY 457 N 4.17 4.79 3.43 3.28 0.00 -1.26 -1.70 105.19 117.90 2kom n GLY 457 Ca 0.45 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2kom n GLY 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kom s LYS 458 N -4.32 1.55 -0.02 1.61 2.20 -1.10 -4.89 119.74 114.78 2kom s LYS 458 Ca 0.00 -1.71 -0.03 0.00 -0.36 0.00 0.00 55.97 53.87 2kom s LYS 458 Cb 0.00 -1.48 -0.04 0.00 -1.51 0.00 0.00 37.83 34.80 2kom s LYS 458 CO 0.00 0.24 0.16 1.03 -0.36 0.00 0.00 175.35 176.43 2kom s ARG 459 N -3.58 3.38 -0.07 4.03 0.52 -1.26 -2.69 118.95 119.28 2kom s ARG 459 Ca 0.27 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 2kom s ARG 459 Cb -0.02 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2kom s ARG 459 CO 0.12 0.68 -0.19 -0.51 0.02 0.00 0.00 175.30 175.42 2kom s LEU 460 N -1.84 1.91 -0.31 2.53 2.01 0.49 -4.93 118.68 118.53 2kom s LEU 460 Ca 0.26 -0.42 -0.09 0.00 0.01 0.00 0.00 54.13 53.88 2kom s LEU 460 Cb -0.12 -1.12 -0.00 0.00 0.01 0.00 0.00 46.19 44.95 2kom s LEU 460 CO 0.17 0.13 0.14 0.54 1.01 0.00 0.00 176.35 178.34 2kom s ASN 461 N 0.31 5.50 0.02 2.29 4.22 -1.26 -0.97 114.94 125.04 2kom s ASN 461 Ca -0.12 -0.57 0.08 0.00 -2.14 0.00 0.00 52.86 50.10 2kom s ASN 461 Cb -0.15 -1.99 -0.02 0.00 1.28 0.00 0.00 41.25 40.37 2kom s ASN 461 CO 0.05 -0.20 -0.23 -0.63 -2.04 0.00 0.00 177.10 174.05 2kom s ILE 462 N 1.59 1.84 -0.14 0.54 1.01 0.11 -4.95 121.20 121.21 2kom s ILE 462 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2kom s ILE 462 Cb -0.17 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2kom s ILE 462 CO 0.06 0.38 -0.14 -1.10 0.00 0.00 0.00 174.94 174.14 2kom s GLN 463 N -0.91 3.32 0.16 2.79 -0.21 -1.25 0.69 119.66 124.24 2kom s GLN 463 Ca 0.09 -0.71 0.11 0.00 0.02 0.00 0.00 55.36 54.87 2kom s GLN 463 Cb -0.09 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 2kom s GLN 463 CO 0.01 0.14 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.58 2kom s LEU 464 N 0.53 2.48 -0.13 2.90 1.02 0.60 -4.90 118.68 121.19 2kom s LEU 464 Ca -0.09 -0.77 0.01 0.00 0.02 0.00 0.00 54.13 53.30 2kom s LEU 464 Cb -0.16 -1.27 -0.01 0.00 0.02 0.00 0.00 46.19 44.77 2kom s LEU 464 CO 0.04 0.14 -0.16 -0.75 0.02 0.00 0.00 176.35 175.64 2kom s LYS 465 N -2.44 3.28 -0.86 1.70 2.36 -1.25 0.03 119.74 122.56 2kom s LYS 465 Ca 0.19 -0.74 -0.26 0.00 -2.55 0.00 0.00 55.97 52.61 2kom s LYS 465 Cb -0.09 -2.56 -0.15 0.00 -1.05 0.00 0.00 37.83 33.98 2kom s LYS 465 CO 0.09 0.17 2.33 0.21 1.55 0.00 0.00 175.35 179.69 2kom s LYS 466 N 0.44 1.56 0.00 4.03 2.20 0.36 -4.57 119.74 123.76 2kom s LYS 466 Ca -0.12 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 2kom s LYS 466 Cb -0.16 -4.84 0.00 0.00 -1.51 0.00 0.00 37.83 31.32 2kom s LYS 466 CO 0.05 -4.62 0.00 0.41 -0.36 0.00 0.00 175.35 170.83 2kom n GLY 467 N 6.68 0.68 0.00 5.54 0.00 -1.26 -4.73 105.19 112.10 2kom n GLY 467 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2kom n GLY 467 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kom n THR 468 N 0.00 0.00 0.11 2.61 -1.04 -1.26 -3.22 114.28 111.48 2kom n THR 468 Ca 0.00 1.36 -0.22 0.00 -2.04 0.00 0.00 64.05 63.16 2kom n THR 468 Cb 0.00 -2.09 -0.15 0.00 -1.82 0.00 0.00 70.33 66.27 2kom n THR 468 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kom h GLU 469 N 0.00 0.41 -4.00 -2.82 4.39 -1.79 -3.49 114.58 107.29 2kom h GLU 469 Ca 0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.99 2kom h GLU 469 Cb 0.00 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kom h GLU 469 CO 0.00 1.32 -0.75 0.41 -1.16 0.00 0.00 179.01 178.83 2kom n GLY 470 N 1.73 -4.99 2.19 -3.84 0.00 -1.20 -4.85 105.19 94.24 2kom n GLY 470 Ca -0.18 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2kom n GLY 470 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kom n LEU 471 N 1.31 -5.27 -3.31 0.99 4.77 -1.26 -4.66 117.00 109.57 2kom n LEU 471 Ca -0.03 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.13 2kom n LEU 471 Cb 0.04 -2.29 0.02 0.00 -2.33 0.00 0.00 43.42 38.86 2kom n LEU 471 CO 0.03 -1.55 1.27 0.61 -1.33 0.00 0.00 177.39 176.42 2kom n GLY 472 N 0.04 5.91 3.17 -0.72 0.00 -1.26 -4.61 105.19 107.72 2kom n GLY 472 Ca 0.03 -2.59 -0.13 0.00 0.00 0.00 0.00 46.02 43.34 2kom n GLY 472 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kom s PHE 473 N -4.14 -0.24 0.04 1.61 -0.71 -1.26 -0.84 117.98 112.44 2kom s PHE 473 Ca 0.44 0.56 0.06 0.00 -1.04 0.00 0.00 56.93 56.95 2kom s PHE 473 Cb 0.28 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2kom s PHE 473 CO -0.21 -0.21 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.19 2kom s SER 474 N -0.29 4.04 0.17 1.98 0.01 -0.55 -4.97 113.70 114.08 2kom s SER 474 Ca -0.04 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.94 2kom s SER 474 Cb -0.03 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2kom s SER 474 CO 0.01 0.26 -0.06 0.27 0.41 0.00 0.00 173.24 174.13 2kom s ILE 475 N -0.96 3.41 0.01 1.44 -4.36 -1.26 0.56 121.20 120.04 2kom s ILE 475 Ca 0.16 -1.52 -0.05 0.00 -0.26 0.00 0.00 60.65 58.98 2kom s ILE 475 Cb -0.11 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.91 2kom s ILE 475 CO 0.06 -0.08 0.09 0.28 0.24 0.00 0.00 174.94 175.53 2kom s THR 476 N -1.65 0.09 -0.15 8.37 -1.32 0.40 -4.80 115.64 116.57 2kom s THR 476 Ca 0.25 -0.72 -0.05 0.00 -1.21 0.00 0.00 61.69 59.97 2kom s THR 476 Cb -0.09 -0.37 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2kom s THR 476 CO 0.16 -0.39 0.01 -0.94 -2.21 0.00 0.00 174.62 171.25 2kom s SER 477 N -1.33 5.25 0.30 8.08 1.04 -1.26 0.45 113.70 126.24 2kom s SER 477 Ca -0.14 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.31 2kom s SER 477 Cb -0.08 -1.80 -0.00 0.00 0.10 0.00 0.00 66.02 64.24 2kom s SER 477 CO 0.01 0.22 0.02 0.54 0.98 0.00 0.00 173.24 175.01 2kom n ARG 478 N 3.23 1.11 -1.38 4.02 1.74 -1.05 -4.98 116.66 119.36 2kom n ARG 478 Ca -0.17 -2.29 -0.53 0.00 -0.77 0.00 0.00 57.85 54.08 2kom n ARG 478 Cb 0.53 0.76 -0.09 0.00 -1.02 0.00 0.00 32.46 32.63 2kom n ARG 478 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kom n ASP 479 N -1.32 1.51 -4.60 0.55 2.03 -1.26 -4.01 116.55 109.44 2kom n ASP 479 Ca -0.11 0.47 -0.45 0.00 0.52 0.00 0.00 54.79 55.22 2kom n ASP 479 Cb 0.40 -1.12 -0.02 0.00 -0.72 0.00 0.00 41.12 39.66 2kom n ASP 479 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2kom n VAL 480 N 6.98 1.67 -0.71 5.18 0.24 -1.26 -4.82 118.33 125.60 2kom n VAL 480 Ca 0.48 -0.42 0.06 0.00 -2.04 0.00 0.00 64.34 62.42 2kom n VAL 480 Cb 0.13 -1.06 0.08 0.00 -1.47 0.00 0.00 33.84 31.52 2kom n VAL 480 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2kom n THR 481 N 0.66 1.43 -3.73 3.34 5.66 -1.26 -5.00 114.28 115.38 2kom n THR 481 Ca 0.10 -1.64 -0.11 0.00 -3.05 0.00 0.00 64.05 59.35 2kom n THR 481 Cb 0.31 0.10 -0.07 0.00 -1.55 0.00 0.00 70.33 69.12 2kom n THR 481 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2kom s ILE 482 N -1.99 0.08 -0.33 1.09 2.07 -1.26 -5.10 121.20 115.76 2kom s ILE 482 Ca 0.18 -0.66 -0.28 0.00 -1.41 0.00 0.00 60.65 58.48 2kom s ILE 482 Cb 0.16 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 2kom s ILE 482 CO 0.02 -0.36 1.81 -0.83 -1.91 0.00 0.00 174.94 173.66 2kom s GLY 483 N -2.17 0.78 0.00 1.50 0.00 -1.26 -4.71 107.32 101.45 2kom s GLY 483 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2kom s GLY 483 CO -0.04 3.28 0.00 0.61 0.00 0.00 0.00 173.10 176.95 2kom n GLY 484 N 5.43 -0.44 5.00 0.20 0.00 -1.26 -4.91 105.19 109.21 2kom n GLY 484 Ca 0.23 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2kom n GLY 484 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kom n SER 485 N 0.59 0.00 -2.72 1.61 2.88 -1.26 -4.71 113.62 110.01 2kom n SER 485 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kom n SER 485 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kom n ALA 486 N 0.00 -3.50 -1.67 -1.46 0.00 -1.26 -4.76 120.51 107.85 2kom n ALA 486 Ca 0.00 0.64 -0.44 0.00 0.00 0.00 0.00 53.44 53.64 2kom n ALA 486 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 2kom n ALA 486 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kom n PRO 487 N 0.79 2.05 -3.04 0.00 -0.02 -1.26 -4.67 135.00 128.86 2kom n PRO 487 Ca -0.03 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2kom n PRO 487 Cb 0.06 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.10 2kom n PRO 487 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kom s ILE 488 N -0.18 4.94 0.13 4.25 -1.09 -1.26 -2.52 121.20 125.48 2kom s ILE 488 Ca 0.66 1.29 0.11 0.00 -2.23 0.00 0.00 60.65 60.48 2kom s ILE 488 Cb -0.64 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.21 2kom s ILE 488 CO 0.51 0.01 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.67 2kom s TYR 489 N 2.47 2.26 -0.21 3.97 2.02 0.17 -0.56 117.35 127.47 2kom s TYR 489 Ca 0.30 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 2kom s TYR 489 Cb -0.16 -1.21 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 2kom s TYR 489 CO 0.09 0.34 1.17 0.08 -1.57 0.00 0.00 175.55 175.66 2kom s VAL 490 N -1.14 4.44 -0.17 0.71 1.01 -0.97 -0.45 120.40 123.82 2kom s VAL 490 Ca 0.14 1.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 2kom s VAL 490 Cb -0.10 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 2kom s VAL 490 CO 0.06 -0.20 0.15 0.50 0.00 0.00 0.00 175.10 175.61 2kom h LYS 491 N 7.99 0.00 -3.77 2.72 3.64 -0.20 -3.38 116.57 123.57 2kom h LYS 491 Ca -0.23 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.99 2kom h LYS 491 Cb 1.08 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.69 2kom h LYS 491 CO 0.98 0.62 -0.61 1.21 -2.27 0.00 0.00 179.45 179.38 2kom s ASN 492 N -6.33 0.14 -0.32 4.20 2.47 -1.20 -4.90 114.94 108.99 2kom s ASN 492 Ca -0.21 -0.36 -0.01 0.00 0.42 0.00 0.00 52.86 52.71 2kom s ASN 492 Cb 0.03 0.15 0.07 0.00 -1.45 0.00 0.00 41.25 40.05 2kom s ASN 492 CO 0.44 -0.32 0.03 -0.63 -3.72 0.00 0.00 177.10 172.90 2kom s ILE 493 N -1.38 2.84 0.16 -5.21 -1.09 -1.26 -1.48 121.20 113.77 2kom s ILE 493 Ca -0.15 -1.69 -0.34 0.00 -2.23 0.00 0.00 60.65 56.24 2kom s ILE 493 Cb -0.09 -2.76 -0.15 0.00 -1.58 0.00 0.00 42.46 37.88 2kom s ILE 493 CO 0.00 -0.28 1.46 0.18 -1.23 0.00 0.00 174.94 175.07 2kom n LEU 494 N 4.54 2.65 -0.26 2.97 7.99 -0.02 -4.84 117.00 130.02 2kom n LEU 494 Ca -0.09 1.11 0.00 0.00 -0.01 0.00 0.00 56.01 57.02 2kom n LEU 494 Cb 0.43 -1.36 0.00 0.00 -0.11 0.00 0.00 43.42 42.38 2kom n LEU 494 CO 0.26 -0.57 0.19 -0.81 -1.51 0.00 0.00 177.39 174.95 2kom n PRO 495 N 2.85 0.50 -0.10 3.23 -0.04 -1.26 -1.95 135.00 138.23 2kom n PRO 495 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kom n PRO 495 Cb 0.27 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2kom n PRO 495 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2kom n ARG 496 N -0.11 0.00 -1.19 0.54 1.85 -1.26 -4.99 116.66 111.49 2kom n ARG 496 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2kom n ARG 496 Cb 0.06 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 31.56 2kom n ARG 496 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kom n GLY 497 N 0.00 -0.53 0.25 2.89 0.00 -0.82 -2.54 105.19 104.44 2kom n GLY 497 Ca 0.00 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.31 2kom n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h ALA 498 N -1.37 1.66 -0.85 4.61 0.00 -1.81 -2.48 119.26 119.03 2kom h ALA 498 Ca -0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kom h ALA 498 Cb 0.59 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2kom h ALA 498 CO 0.16 0.11 0.55 0.00 0.00 0.00 0.00 179.25 180.08 2kom h ALA 499 N 1.91 1.12 0.17 0.00 0.00 -1.86 0.45 119.26 121.05 2kom h ALA 499 Ca -0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2kom h ALA 499 Cb 0.18 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kom h ALA 499 CO 0.01 0.41 -1.33 0.97 0.00 0.00 0.00 179.25 179.31 2kom h ILE 500 N 1.09 1.41 -0.57 0.00 2.10 -1.67 0.34 117.51 120.20 2kom h ILE 500 Ca 0.34 -2.90 -0.11 0.00 1.08 0.00 0.00 64.86 63.27 2kom h ILE 500 Cb -0.02 2.97 -0.02 0.00 -1.09 0.00 0.00 36.82 38.66 2kom h ILE 500 CO -0.11 0.86 -0.07 1.56 -1.08 0.00 0.00 178.15 179.31 2kom h GLN 501 N 0.11 1.06 0.00 2.19 1.08 -1.02 -2.97 115.11 115.56 2kom h GLN 501 Ca -0.18 -0.37 -0.08 0.00 -1.45 0.00 0.00 58.65 56.56 2kom h GLN 501 Cb 2.04 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 29.38 2kom h GLN 501 CO 0.23 1.07 -1.41 -0.25 -0.95 0.00 0.00 178.83 177.52 2kom n ASP 502 N -4.15 0.65 0.00 1.46 8.00 0.16 -4.98 116.55 117.68 2kom n ASP 502 Ca 0.02 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.79 2kom n ASP 502 Cb 0.39 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kom n GLY 503 N 1.31 1.82 0.56 0.44 0.00 0.12 -4.74 105.19 104.69 2kom n GLY 503 Ca -0.06 -0.18 0.38 0.00 0.00 0.00 0.00 46.02 46.17 2kom n GLY 503 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kom h ARG 504 N 0.00 0.03 -5.46 1.61 3.08 -1.91 -3.41 114.38 108.33 2kom h ARG 504 Ca 0.00 -0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2kom h ARG 504 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.94 2kom h ARG 504 CO 0.00 0.02 -0.40 -1.17 -1.07 0.00 0.00 179.97 177.35 2kom s LEU 505 N -8.40 4.26 0.14 3.04 2.96 -1.26 -5.08 118.68 114.34 2kom s LEU 505 Ca -0.05 0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2kom s LEU 505 Cb 0.24 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2kom s LEU 505 CO 0.83 0.19 0.17 -1.59 -1.32 0.00 0.00 176.35 174.62 2kom s LYS 506 N 0.12 1.02 -0.74 1.98 0.00 -1.26 -4.68 119.74 116.19 2kom s LYS 506 Ca 0.13 -1.28 -0.25 0.00 0.00 0.00 0.00 55.97 54.57 2kom s LYS 506 Cb -0.12 0.31 0.05 0.00 0.00 0.00 0.00 37.83 38.07 2kom s LYS 506 CO 0.02 -0.33 1.16 0.00 0.00 0.00 0.00 175.35 176.20 2kom s ALA 507 N -4.00 2.92 0.00 0.59 0.00 -1.26 -4.29 121.76 115.72 2kom s ALA 507 Ca 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2kom s ALA 507 Cb 0.05 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2kom s ALA 507 CO -0.00 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.08 2kom n GLY 508 N 5.47 0.00 3.49 0.00 0.00 -1.26 -5.01 105.19 107.88 2kom n GLY 508 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2kom n GLY 508 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kom s ASP 509 N 0.00 0.84 -0.17 1.61 1.47 -1.26 -4.84 116.67 114.32 2kom s ASP 509 Ca 0.00 -1.45 -0.05 0.00 1.18 0.00 0.00 52.55 52.23 2kom s ASP 509 Cb 0.00 0.66 -0.03 0.00 -0.34 0.00 0.00 42.92 43.20 2kom s ASP 509 CO 0.00 -1.28 0.01 -0.60 0.68 0.00 0.00 175.17 173.97 2kom s ARG 510 N -3.12 3.79 -0.22 2.11 3.52 -0.10 -2.30 118.95 122.62 2kom s ARG 510 Ca 0.30 -0.45 -0.26 0.00 -0.13 0.00 0.00 55.73 55.19 2kom s ARG 510 Cb -0.00 -3.06 -0.00 0.00 -1.56 0.00 0.00 34.95 30.33 2kom s ARG 510 CO 0.19 0.23 0.89 -1.17 -0.81 0.00 0.00 175.30 174.63 2kom s LEU 511 N 0.45 4.11 -0.25 -0.88 2.96 0.28 0.16 118.68 125.50 2kom s LEU 511 Ca -0.01 1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 54.97 2kom s LEU 511 Cb -0.14 -3.30 -0.16 0.00 0.50 0.00 0.00 46.19 43.10 2kom s LEU 511 CO 0.02 -0.53 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.95 2kom n ILE 512 N 5.16 1.54 -3.68 6.68 2.08 -0.07 -4.38 119.36 126.70 2kom n ILE 512 Ca 0.07 -0.43 -0.15 0.00 0.56 0.00 0.00 62.75 62.81 2kom n ILE 512 Cb 0.47 -1.74 -0.08 0.00 -0.75 0.00 0.00 39.64 37.55 2kom n ILE 512 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2kom s GLU 513 N -2.50 0.74 -0.06 0.38 -1.05 -1.00 -1.44 118.70 113.77 2kom s GLU 513 Ca -0.35 0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.77 2kom s GLU 513 Cb 0.11 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 2kom s GLU 513 CO 0.56 -0.18 -0.09 0.54 0.95 0.00 0.00 175.26 177.04 2kom s VAL 514 N -0.66 0.93 0.00 1.83 0.11 -1.02 -0.11 120.40 121.48 2kom s VAL 514 Ca -0.08 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2kom s VAL 514 Cb -0.03 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2kom s VAL 514 CO 0.04 0.31 0.00 0.59 -3.33 0.00 0.00 175.10 172.72 2kom n ASN 515 N 3.97 -2.30 0.00 3.54 5.03 0.17 -1.63 115.26 124.04 2kom n ASN 515 Ca -0.23 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.22 2kom n ASN 515 Cb 0.51 -1.88 0.00 0.00 -1.02 0.00 0.00 39.78 37.39 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kom n GLY 516 N -1.33 0.42 3.68 7.41 0.00 -1.26 -4.93 105.19 109.18 2kom n GLY 516 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2kom n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kom s VAL 517 N -2.00 5.00 0.10 1.61 1.01 -0.65 -5.03 120.40 120.45 2kom s VAL 517 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 2kom s VAL 517 Cb 0.00 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2kom s VAL 517 CO 0.00 0.14 0.97 1.51 0.00 0.00 0.00 175.10 177.72 2kom s ASP 518 N 1.04 7.47 -0.05 3.32 -4.77 -1.26 -2.42 116.67 120.00 2kom s ASP 518 Ca 0.34 1.80 0.21 0.00 -3.30 0.00 0.00 52.55 51.59 2kom s ASP 518 Cb -0.17 -2.59 -0.28 0.00 -1.09 0.00 0.00 42.92 38.80 2kom s ASP 518 CO 0.13 -0.09 0.44 0.18 0.70 0.00 0.00 175.17 176.53 2kom n LEU 519 N 2.87 0.12 0.00 2.11 4.77 -0.52 -4.37 117.00 121.98 2kom n LEU 519 Ca 0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2kom n LEU 519 Cb 0.49 0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2kom n LEU 519 CO 0.51 0.12 0.21 1.33 -1.33 0.00 0.00 177.39 178.23 2kom n VAL 520 N -2.45 0.00 -1.88 4.08 0.24 -1.26 -1.03 118.33 116.03 2kom n VAL 520 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2kom n VAL 520 Cb 0.73 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2kom n VAL 520 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kom n GLY 521 N -0.14 0.17 3.37 7.63 0.00 -1.26 -4.75 105.19 110.20 2kom n GLY 521 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2kom n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s LYS 522 N 0.00 1.60 0.36 1.61 -2.85 -0.20 -5.08 119.74 115.18 2kom s LYS 522 Ca 0.00 -1.69 -0.00 0.00 -1.00 0.00 0.00 55.97 53.28 2kom s LYS 522 Cb 0.00 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2kom s LYS 522 CO 0.00 -0.61 0.58 -1.12 0.10 0.00 0.00 175.35 174.30 2kom s SER 523 N -3.21 6.30 0.21 0.03 0.01 -1.26 -4.95 113.70 110.83 2kom s SER 523 Ca 0.34 0.52 -0.10 0.00 1.31 0.00 0.00 55.95 58.02 2kom s SER 523 Cb 0.02 -2.06 0.30 0.00 0.21 0.00 0.00 66.02 64.49 2kom s SER 523 CO 0.17 -0.33 1.68 1.56 0.41 0.00 0.00 173.24 176.73 2kom h GLN 524 N 0.71 0.16 -0.48 12.44 1.08 -1.94 -1.85 115.11 125.23 2kom h GLN 524 Ca -0.49 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2kom h GLN 524 Cb 1.22 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 2kom h GLN 524 CO 0.62 0.10 0.32 0.93 -0.95 0.00 0.00 178.83 179.85 2kom h GLU 525 N 0.16 0.54 -0.47 1.46 3.07 -1.98 0.42 114.58 117.78 2kom h GLU 525 Ca 0.32 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.02 2kom h GLU 525 Cb 0.51 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2kom h GLU 525 CO -0.49 0.36 -0.20 0.93 -1.40 0.00 0.00 179.01 178.22 2kom h GLU 526 N 0.56 0.94 -0.02 2.33 5.08 -1.75 -1.84 114.58 119.89 2kom h GLU 526 Ca 0.19 -0.38 -0.23 0.00 -1.00 0.00 0.00 59.36 57.94 2kom h GLU 526 Cb 0.08 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kom h GLU 526 CO -0.05 1.05 -0.93 0.28 -1.00 0.00 0.00 179.01 178.36 2kom h VAL 527 N 0.82 1.37 -0.46 3.13 2.07 -0.58 -2.58 116.25 120.02 2kom h VAL 527 Ca 0.11 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.22 2kom h VAL 527 Cb 0.75 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2kom h VAL 527 CO 0.06 0.71 0.01 -0.37 0.02 0.00 0.00 177.57 178.00 2kom h VAL 528 N 0.29 1.26 -0.61 2.57 -1.51 -0.15 0.18 116.25 118.28 2kom h VAL 528 Ca -0.08 -1.04 0.01 0.00 -1.23 0.00 0.00 66.70 64.36 2kom h VAL 528 Cb 1.56 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.71 2kom h VAL 528 CO 0.17 0.36 0.40 0.28 -1.23 0.00 0.00 177.57 177.54 2kom h SER 529 N 0.66 0.67 -0.40 4.19 0.02 -1.36 0.33 113.55 117.66 2kom h SER 529 Ca 0.13 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2kom h SER 529 Cb 0.49 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2kom h SER 529 CO 0.02 0.48 0.21 0.25 -1.14 0.00 0.00 176.83 176.66 2kom h LEU 530 N 0.80 0.32 -0.13 5.07 5.85 -1.12 -0.59 115.31 125.51 2kom h LEU 530 Ca 0.23 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 2kom h LEU 530 Cb -0.06 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kom h LEU 530 CO -0.07 0.23 0.06 0.25 -0.34 0.00 0.00 178.44 178.58 2kom h LEU 531 N 0.43 0.18 -1.11 2.25 5.85 0.22 -1.17 115.31 121.96 2kom h LEU 531 Ca 0.17 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kom h LEU 531 Cb 0.06 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2kom h LEU 531 CO -0.10 0.28 0.46 0.03 -0.34 0.00 0.00 178.44 178.76 2kom h ARG 532 N 0.07 1.07 -0.30 1.25 2.47 -0.11 -2.26 114.38 116.57 2kom h ARG 532 Ca 0.04 -0.10 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 2kom h ARG 532 Cb 0.15 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2kom h ARG 532 CO -0.00 0.76 -0.49 0.77 0.56 0.00 0.00 179.97 181.57 2kom h SER 533 N 1.08 0.95 0.00 7.04 0.02 -0.95 -3.47 113.55 118.22 2kom h SER 533 Ca 0.28 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2kom h SER 533 Cb -0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2kom h SER 533 CO -0.05 1.28 0.00 0.41 -1.14 0.00 0.00 176.83 177.33 2kom n THR 534 N -4.06 0.00 0.00 -2.27 -1.04 -0.46 -4.73 114.28 101.73 2kom n THR 534 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2kom n THR 534 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2kom n THR 534 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kom n LYS 535 N 0.00 0.00 0.09 -2.82 4.81 -1.26 -4.89 118.16 114.09 2kom n LYS 535 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2kom n LYS 535 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2kom n LYS 535 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2kom h MET 536 N 0.00 -0.16 0.00 1.64 2.86 -1.94 -3.34 114.93 113.99 2kom h MET 536 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kom h MET 536 Cb 0.00 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2kom h MET 536 CO 0.00 -0.10 -0.08 1.49 1.06 0.00 0.00 176.91 179.28 2kom h GLU 537 N -0.16 0.00 0.00 1.72 4.81 -1.97 -3.49 114.58 115.48 2kom h GLU 537 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kom h GLU 537 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2kom h GLU 537 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2kom n GLY 538 N 1.83 -0.09 3.73 1.92 0.00 -1.25 -4.88 105.19 106.44 2kom n GLY 538 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2kom n GLY 538 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s THR 539 N 0.00 5.38 -0.05 2.61 2.01 -1.25 -0.49 115.64 123.85 2kom s THR 539 Ca 0.00 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.23 2kom s THR 539 Cb 0.00 -3.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 2kom s THR 539 CO 0.00 0.45 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.49 2kom s VAL 540 N 0.31 1.64 -0.34 3.82 1.01 0.10 -4.81 120.40 122.13 2kom s VAL 540 Ca 0.08 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2kom s VAL 540 Cb -0.11 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2kom s VAL 540 CO -0.02 0.46 0.49 -0.44 0.00 0.00 0.00 175.10 175.60 2kom s SER 541 N -0.05 6.30 -0.23 3.32 0.01 -1.26 -0.29 113.70 121.50 2kom s SER 541 Ca -0.03 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.13 2kom s SER 541 Cb -0.12 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2kom s SER 541 CO 0.03 -0.45 0.04 -0.76 0.41 0.00 0.00 173.24 172.50 2kom s LEU 542 N 2.33 3.32 -0.27 2.44 2.01 0.22 0.46 118.68 129.18 2kom s LEU 542 Ca 0.18 -0.23 -0.05 0.00 0.01 0.00 0.00 54.13 54.03 2kom s LEU 542 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.18 2kom s LEU 542 CO 0.13 -0.01 0.03 -0.22 1.01 0.00 0.00 176.35 177.29 2kom s LEU 543 N 1.43 3.50 0.24 1.79 1.98 0.84 0.07 118.68 128.53 2kom s LEU 543 Ca 0.05 -0.62 0.11 0.00 -2.89 0.00 0.00 54.13 50.78 2kom s LEU 543 Cb -0.15 -1.82 -0.05 0.00 0.66 0.00 0.00 46.19 44.84 2kom s LEU 543 CO 0.02 -0.13 -0.17 0.68 -1.89 0.00 0.00 176.35 174.86 2kom s VAL 544 N 1.48 2.68 -0.19 1.68 -7.23 -0.14 -0.89 120.40 117.78 2kom s VAL 544 Ca 0.03 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2kom s VAL 544 Cb -0.16 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.44 2kom s VAL 544 CO 0.00 -0.29 -0.12 0.12 -0.31 0.00 0.00 175.10 174.50 2kom s PHE 545 N -2.16 2.44 -0.19 2.82 5.36 0.12 -0.38 117.98 126.00 2kom s PHE 545 Ca 0.27 -1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 54.65 2kom s PHE 545 Cb -0.06 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 2kom s PHE 545 CO 0.14 -0.74 -0.02 0.50 -1.46 0.00 0.00 175.22 173.65 2kom s ARG 546 N 1.39 3.60 -0.08 10.12 3.52 -1.09 -0.92 118.95 135.48 2kom s ARG 546 Ca 0.01 -0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 54.82 2kom s ARG 546 Cb -0.15 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2kom s ARG 546 CO -0.09 0.05 0.76 1.14 -0.81 0.00 0.00 175.30 176.35 2kom s GLN 547 N 0.87 4.42 -0.86 5.12 -2.07 -1.26 -2.72 119.66 123.17 2kom s GLN 547 Ca 0.00 0.97 -0.13 0.00 -1.82 0.00 0.00 55.36 54.38 2kom s GLN 547 Cb -0.14 -3.47 0.22 0.00 -1.09 0.00 0.00 33.01 28.53 2kom s GLN 547 CO 0.02 -0.03 0.80 -1.21 -1.32 0.00 0.00 175.29 173.55 2kom s GLU 548 N 1.09 3.63 0.00 9.60 2.02 -0.69 -4.87 118.70 129.49 2kom s GLU 548 Ca 0.39 -2.58 0.00 0.00 0.02 0.00 0.00 54.97 52.80 2kom s GLU 548 Cb -0.18 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.65 2kom s GLU 548 CO 0.18 -1.28 0.04 -3.47 0.02 0.00 0.00 175.26 170.76