#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 0.12 0.04 1.61 0.15 -1.26 -5.06 113.70 109.29 2kom s SER 450 Ca 0.00 -0.80 -0.25 0.00 0.70 0.00 0.00 55.95 55.60 2kom s SER 450 Cb 0.00 0.37 -0.17 0.00 -1.71 0.00 0.00 66.02 64.51 2kom s SER 450 CO 0.00 -0.79 1.48 0.22 1.20 0.00 0.00 173.24 175.35 2kom h TYR 451 N 2.69 -0.12 -3.61 3.44 3.20 -2.12 -3.39 116.97 117.06 2kom h TYR 451 Ca -0.33 -0.00 -0.65 0.00 3.14 0.00 0.00 58.73 60.89 2kom h TYR 451 Cb 1.21 0.04 -0.37 0.00 1.54 0.00 0.00 36.73 39.15 2kom h TYR 451 CO 0.42 0.13 -0.81 1.21 -1.64 0.00 0.00 178.16 177.47 2kom s ASN 452 N -5.30 3.89 0.00 -2.11 3.84 -1.26 -5.02 114.94 108.99 2kom s ASN 452 Ca -0.14 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.80 2kom s ASN 452 Cb 0.04 -1.39 0.00 0.00 -0.55 0.00 0.00 41.25 39.34 2kom s ASN 452 CO 0.64 -0.16 0.00 0.35 -2.79 0.00 0.00 177.10 175.14 2kom n THR 453 N 4.56 0.00 -3.88 -5.21 -2.24 -1.26 -4.94 114.28 101.32 2kom n THR 453 Ca -0.15 0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.68 2kom n THR 453 Cb 0.45 -1.23 -0.16 0.00 -2.10 0.00 0.00 70.33 67.29 2kom n THR 453 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kom s LYS 454 N -0.68 1.29 -0.16 -0.78 1.02 -1.26 -5.10 119.74 114.06 2kom s LYS 454 Ca 0.00 -0.97 -0.21 0.00 0.02 0.00 0.00 55.97 54.81 2kom s LYS 454 Cb 0.00 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2kom s LYS 454 CO 0.00 -0.70 0.62 -1.59 -0.92 0.00 0.00 175.35 172.76 2kom s LYS 455 N 1.48 4.28 -0.23 1.68 -2.85 -1.26 -4.93 119.74 117.90 2kom s LYS 455 Ca -0.01 0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 55.59 2kom s LYS 455 Cb -0.18 -3.52 -0.14 0.00 -2.06 0.00 0.00 37.83 31.92 2kom s LYS 455 CO -0.10 -0.10 -0.22 1.51 0.10 0.00 0.00 175.35 176.54 2kom n ILE 456 N 4.31 1.31 -3.65 3.79 3.06 -1.26 -5.02 119.36 121.91 2kom n ILE 456 Ca -0.02 -0.47 -0.04 0.00 -2.50 0.00 0.00 62.75 59.72 2kom n ILE 456 Cb 0.50 -1.39 -0.07 0.00 0.54 0.00 0.00 39.64 39.22 2kom n ILE 456 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2kom s GLY 457 N -6.09 0.27 0.16 4.50 0.00 -1.26 -4.42 107.32 100.48 2kom s GLY 457 Ca -0.31 3.38 0.00 0.00 0.00 0.00 0.00 44.72 47.79 2kom s GLY 457 CO 0.51 2.05 0.03 -1.59 0.00 0.00 0.00 173.10 174.11 2kom s LYS 458 N 0.25 1.05 0.16 2.90 -2.85 -1.23 -5.04 119.74 114.98 2kom s LYS 458 Ca 0.04 -1.51 0.05 0.00 -1.00 0.00 0.00 55.97 53.55 2kom s LYS 458 Cb -0.05 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 2kom s LYS 458 CO -0.13 -0.20 0.12 1.03 0.10 0.00 0.00 175.35 176.27 2kom s ARG 459 N -3.99 2.85 -0.07 1.78 0.52 -1.26 -1.39 118.95 117.39 2kom s ARG 459 Ca 0.25 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 2kom s ARG 459 Cb 0.07 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2kom s ARG 459 CO 0.04 0.49 -0.17 -0.51 0.02 0.00 0.00 175.30 175.16 2kom s LEU 460 N -3.03 1.84 -0.33 2.53 2.01 0.17 -4.93 118.68 116.94 2kom s LEU 460 Ca 0.30 -0.40 -0.16 0.00 0.01 0.00 0.00 54.13 53.89 2kom s LEU 460 Cb -0.10 -1.05 -0.02 0.00 0.01 0.00 0.00 46.19 45.04 2kom s LEU 460 CO 0.23 0.10 0.39 0.54 1.01 0.00 0.00 176.35 178.61 2kom s ASN 461 N 0.45 6.22 -0.15 2.29 4.22 -1.26 -1.20 114.94 125.50 2kom s ASN 461 Ca -0.14 -0.09 0.01 0.00 -2.14 0.00 0.00 52.86 50.50 2kom s ASN 461 Cb -0.16 -2.21 0.02 0.00 1.28 0.00 0.00 41.25 40.18 2kom s ASN 461 CO 0.05 -0.33 -0.16 -0.63 -2.04 0.00 0.00 177.10 173.99 2kom s ILE 462 N 2.10 1.71 -0.21 0.54 1.01 0.16 -4.94 121.20 121.57 2kom s ILE 462 Ca 0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 2kom s ILE 462 Cb -0.16 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 2kom s ILE 462 CO 0.12 0.48 0.14 -1.10 0.00 0.00 0.00 174.94 174.58 2kom s GLN 463 N 1.32 4.17 -0.10 2.79 -0.21 -1.26 0.10 119.66 126.47 2kom s GLN 463 Ca 0.02 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.19 2kom s GLN 463 Cb -0.13 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 2kom s GLN 463 CO -0.09 0.25 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.66 2kom s LEU 464 N 0.51 2.62 -0.18 2.90 2.01 0.44 -4.90 118.68 122.08 2kom s LEU 464 Ca 0.08 -0.33 -0.09 0.00 0.01 0.00 0.00 54.13 53.80 2kom s LEU 464 Cb -0.12 -1.56 -0.05 0.00 0.01 0.00 0.00 46.19 44.48 2kom s LEU 464 CO -0.01 0.21 0.11 -0.75 1.01 0.00 0.00 176.35 176.93 2kom s LYS 465 N 0.05 3.98 -0.40 1.70 2.20 -1.26 0.06 119.74 126.06 2kom s LYS 465 Ca -0.06 -0.24 -0.27 0.00 -0.36 0.00 0.00 55.97 55.04 2kom s LYS 465 Cb -0.15 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 2kom s LYS 465 CO 0.05 0.38 2.35 0.21 -0.36 0.00 0.00 175.35 177.98 2kom s LYS 466 N 0.10 2.42 -0.01 4.03 2.20 0.06 -4.53 119.74 124.01 2kom s LYS 466 Ca 0.08 1.61 0.01 0.00 -0.36 0.00 0.00 55.97 57.31 2kom s LYS 466 Cb -0.11 -4.52 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 2kom s LYS 466 CO -0.00 -2.91 -0.04 0.20 -0.36 0.00 0.00 175.35 172.24 2kom s GLY 467 N 10.97 0.25 0.00 5.54 0.00 -1.26 -4.84 107.32 117.98 2kom s GLY 467 Ca 0.99 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2kom s GLY 467 CO 0.29 0.04 0.00 2.41 0.00 0.00 0.00 173.10 175.84 2kom n THR 468 N 3.29 0.00 0.61 0.90 -1.04 -1.26 -0.91 114.28 115.88 2kom n THR 468 Ca -0.17 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 2kom n THR 468 Cb 0.56 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.00 2kom n THR 468 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kom n GLU 469 N 0.00 0.25 0.00 -2.82 4.07 -1.19 -5.06 120.64 115.89 2kom n GLU 469 Ca 0.00 -0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2kom n GLU 469 Cb 0.00 -1.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kom n GLY 470 N 1.40 -0.04 3.51 8.31 0.00 -0.09 -4.74 105.19 113.54 2kom n GLY 470 Ca 0.01 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.09 -3.56 0.99 4.32 -1.26 0.13 117.00 117.70 2kom n LEU 471 Ca 0.00 -0.26 -0.37 0.00 -0.02 0.00 0.00 56.01 55.36 2kom n LEU 471 Cb 0.00 -0.93 -0.01 0.00 -1.62 0.00 0.00 43.42 40.86 2kom n LEU 471 CO 0.00 -1.19 0.96 0.61 -1.22 0.00 0.00 177.39 176.55 2kom n GLY 472 N 6.15 5.66 3.49 -0.72 0.00 -1.26 -4.78 105.19 113.73 2kom n GLY 472 Ca 0.62 -2.67 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.59 -0.63 0.32 1.61 -0.71 -1.26 0.32 117.98 114.05 2kom s PHE 473 Ca 0.39 1.46 0.09 0.00 -1.04 0.00 0.00 56.93 57.83 2kom s PHE 473 Cb 0.17 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 2kom s PHE 473 CO -0.06 -0.36 -0.01 -1.54 -1.34 0.00 0.00 175.22 171.91 2kom s SER 474 N 0.01 4.20 0.19 1.98 1.04 -0.65 -4.96 113.70 115.50 2kom s SER 474 Ca -0.02 -0.93 0.09 0.00 0.48 0.00 0.00 55.95 55.56 2kom s SER 474 Cb -0.04 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 2kom s SER 474 CO 0.02 -0.18 -0.09 0.27 0.98 0.00 0.00 173.24 174.25 2kom s ILE 475 N -2.48 3.20 0.03 -1.02 -4.36 -1.26 0.73 121.20 116.04 2kom s ILE 475 Ca 0.34 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 2kom s ILE 475 Cb -0.02 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 2kom s ILE 475 CO 0.19 -0.13 -0.05 0.28 0.24 0.00 0.00 174.94 175.47 2kom s THR 476 N -1.74 0.32 -0.09 8.37 -1.32 0.17 -4.52 115.64 116.83 2kom s THR 476 Ca 0.25 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2kom s THR 476 Cb -0.09 -0.42 -0.01 0.00 -1.51 0.00 0.00 72.50 70.47 2kom s THR 476 CO 0.15 -0.41 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.02 2kom s SER 477 N -1.42 3.50 0.00 8.08 1.04 -1.26 -0.32 113.70 123.32 2kom s SER 477 Ca -0.12 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2kom s SER 477 Cb -0.09 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2kom s SER 477 CO -0.00 0.22 0.00 0.54 0.98 0.00 0.00 173.24 174.97 2kom n ARG 478 N 3.16 0.00 -3.70 4.02 1.74 -1.25 -5.04 116.66 115.59 2kom n ARG 478 Ca -0.18 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 56.86 2kom n ARG 478 Cb 0.52 -0.41 -0.11 0.00 -1.02 0.00 0.00 32.46 31.44 2kom n ARG 478 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2kom s ASP 479 N -2.58 -0.41 -0.97 0.55 -4.77 -1.26 -5.05 116.67 102.17 2kom s ASP 479 Ca 0.00 0.81 -0.24 0.00 -3.30 0.00 0.00 52.55 49.82 2kom s ASP 479 Cb 0.00 0.73 -0.03 0.00 -1.09 0.00 0.00 42.92 42.53 2kom s ASP 479 CO 0.00 -0.19 1.86 0.54 0.70 0.00 0.00 175.17 178.08 2kom s VAL 480 N 1.49 3.56 -0.86 2.11 0.11 -1.26 -4.38 120.40 121.17 2kom s VAL 480 Ca -0.09 -0.56 0.14 0.00 -2.93 0.00 0.00 61.98 58.55 2kom s VAL 480 Cb -0.09 -4.29 0.45 0.00 -1.53 0.00 0.00 36.38 30.92 2kom s VAL 480 CO -0.12 -1.15 1.38 0.41 -3.33 0.00 0.00 175.10 172.29 2kom n THR 481 N 7.66 1.44 -4.32 5.04 -1.04 -1.26 -4.97 114.28 116.82 2kom n THR 481 Ca 0.40 -1.24 -0.27 0.00 -2.04 0.00 0.00 64.05 60.90 2kom n THR 481 Cb 0.47 0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 69.17 2kom n THR 481 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2kom s ILE 482 N -1.56 2.05 -1.35 12.58 -4.36 -1.26 -5.04 121.20 122.25 2kom s ILE 482 Ca 0.34 -1.80 -0.09 0.00 -0.26 0.00 0.00 60.65 58.84 2kom s ILE 482 Cb 0.22 -2.85 0.11 0.00 1.25 0.00 0.00 42.46 41.19 2kom s ILE 482 CO 0.17 0.00 2.17 0.61 0.24 0.00 0.00 174.94 178.13 2kom n GLY 483 N -1.20 4.78 0.00 6.27 0.00 -1.26 -4.81 105.19 108.96 2kom n GLY 483 Ca -0.04 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2kom n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kom n GLY 484 N 2.81 3.34 0.16 -0.02 0.00 -1.26 -4.64 105.19 105.59 2kom n GLY 484 Ca 0.51 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2kom n GLY 484 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kom h SER 485 N 0.00 0.85 -4.11 1.61 0.02 -1.61 -3.49 113.55 106.83 2kom h SER 485 Ca 0.00 -0.88 0.34 0.00 -0.84 0.00 0.00 61.79 60.41 2kom h SER 485 Cb 0.00 -0.27 -0.21 0.00 0.14 0.00 0.00 62.40 62.06 2kom h SER 485 CO 0.00 1.66 1.00 0.00 -1.14 0.00 0.00 176.83 178.35 2kom s ALA 486 N -2.74 -2.23 0.05 3.77 0.00 -1.26 -4.62 121.76 114.73 2kom s ALA 486 Ca -0.09 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.53 2kom s ALA 486 Cb 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 2kom s ALA 486 CO 0.94 -0.57 0.70 -1.25 0.00 0.00 0.00 175.76 175.58 2kom s PRO 487 N -2.01 4.43 -0.19 0.00 0.05 -1.26 -4.48 135.00 131.54 2kom s PRO 487 Ca 0.12 0.95 -0.19 0.00 0.05 0.00 0.00 61.00 61.93 2kom s PRO 487 Cb -0.01 -3.33 -0.03 0.00 0.05 0.00 0.00 34.50 31.18 2kom s PRO 487 CO -0.02 0.38 0.54 0.42 0.05 0.00 0.00 177.00 178.37 2kom s ILE 488 N -0.33 5.09 0.26 0.56 -1.09 -1.26 -3.94 121.20 120.49 2kom s ILE 488 Ca 0.35 1.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.85 2kom s ILE 488 Cb -0.20 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.76 2kom s ILE 488 CO 0.21 0.17 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.69 2kom s TYR 489 N 1.62 1.90 -0.26 3.97 2.02 0.57 -0.65 117.35 126.51 2kom s TYR 489 Ca 0.25 -0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 2kom s TYR 489 Cb -0.16 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2kom s TYR 489 CO 0.10 0.33 0.65 0.08 -1.57 0.00 0.00 175.55 175.14 2kom s VAL 490 N -2.97 4.96 -0.02 0.71 1.01 0.15 0.44 120.40 124.69 2kom s VAL 490 Ca 0.27 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2kom s VAL 490 Cb 0.02 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2kom s VAL 490 CO 0.10 0.00 0.62 0.50 0.00 0.00 0.00 175.10 176.33 2kom h LYS 491 N 7.89 -0.38 -3.53 2.72 1.63 0.08 -1.82 116.57 123.16 2kom h LYS 491 Ca -0.26 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.50 2kom h LYS 491 Cb 1.12 0.09 -0.13 0.00 -0.60 0.00 0.00 32.23 32.70 2kom h LYS 491 CO 0.79 -0.25 -0.17 1.21 -3.45 0.00 0.00 179.45 177.57 2kom s ASN 492 N -3.97 -0.12 -0.38 4.20 2.47 -1.23 -4.52 114.94 111.40 2kom s ASN 492 Ca -0.06 -0.44 -0.06 0.00 0.42 0.00 0.00 52.86 52.73 2kom s ASN 492 Cb 0.01 0.43 0.07 0.00 -1.45 0.00 0.00 41.25 40.31 2kom s ASN 492 CO 0.17 -0.82 0.17 -0.63 -3.72 0.00 0.00 177.10 172.27 2kom s ILE 493 N -3.83 3.69 0.13 -5.21 -1.09 -1.26 -1.63 121.20 111.99 2kom s ILE 493 Ca 0.04 -1.49 -0.31 0.00 -2.23 0.00 0.00 60.65 56.65 2kom s ILE 493 Cb 0.03 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.56 2kom s ILE 493 CO -0.11 -0.41 1.57 -0.76 -1.23 0.00 0.00 174.94 174.00 2kom s LEU 494 N 1.32 4.37 0.00 2.97 1.02 0.15 -4.89 118.68 123.62 2kom s LEU 494 Ca 0.02 2.53 0.00 0.00 0.02 0.00 0.00 54.13 56.70 2kom s LEU 494 Cb -0.22 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.41 2kom s LEU 494 CO 0.00 -0.82 0.45 -0.81 0.02 0.00 0.00 176.35 175.19 2kom n PRO 495 N 4.49 0.61 0.00 1.29 -0.04 -1.26 -2.63 135.00 137.46 2kom n PRO 495 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2kom n PRO 495 Cb 0.40 -1.25 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 0.43 0.00 0.00 0.54 1.85 -1.26 -4.98 116.66 113.24 2kom n ARG 496 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kom n ARG 496 Cb 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.63 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 1.89 0.28 2.89 0.00 -1.08 -3.18 105.19 106.00 2kom n GLY 497 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.01 0.99 -0.85 4.61 0.00 0.96 -1.85 119.26 122.11 2kom h ALA 498 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2kom h ALA 498 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2kom h ALA 498 CO 0.00 0.61 0.53 0.00 0.00 0.00 0.00 179.25 180.39 2kom h ALA 499 N 1.16 1.15 0.00 0.00 0.00 -1.79 -0.91 119.26 118.87 2kom h ALA 499 Ca 0.13 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2kom h ALA 499 Cb 0.55 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kom h ALA 499 CO 0.03 0.31 -0.96 0.97 0.00 0.00 0.00 179.25 179.61 2kom h ILE 500 N 1.00 1.58 -0.25 0.00 2.10 -1.71 0.41 117.51 120.65 2kom h ILE 500 Ca 0.36 -3.25 0.02 0.00 1.08 0.00 0.00 64.86 63.07 2kom h ILE 500 Cb 0.11 2.78 -0.03 0.00 -1.09 0.00 0.00 36.82 38.60 2kom h ILE 500 CO -0.15 0.90 0.09 -0.61 -1.08 0.00 0.00 178.15 177.30 2kom h GLN 501 N 0.00 0.20 0.01 2.19 -0.00 -0.35 -3.00 115.11 114.16 2kom h GLN 501 Ca -0.02 -0.01 -0.33 0.00 -0.00 0.00 0.00 58.65 58.29 2kom h GLN 501 Cb 1.73 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 29.11 2kom h GLN 501 CO 0.12 0.13 -1.99 -0.25 0.00 0.00 0.00 178.83 176.84 2kom n ASP 502 N -5.03 0.82 -1.75 -0.69 8.00 -0.52 -4.98 116.55 112.40 2kom n ASP 502 Ca -0.02 0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.56 2kom n ASP 502 Cb 0.09 0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.70 0.11 0.01 0.44 0.00 0.14 -4.89 105.19 102.72 2kom n GLY 503 Ca -0.25 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.67 2kom n GLY 503 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kom n ARG 504 N -2.57 0.60 -4.09 1.61 3.00 -1.24 -4.96 116.66 109.01 2kom n ARG 504 Ca -0.19 -0.17 -0.29 0.00 -0.00 0.00 0.00 57.85 57.20 2kom n ARG 504 Cb 0.63 -1.47 -0.07 0.00 0.00 0.00 0.00 32.46 31.55 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2kom s LEU 505 N -4.28 3.67 0.07 6.15 2.96 -1.26 -5.03 118.68 120.96 2kom s LEU 505 Ca -0.06 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2kom s LEU 505 Cb 0.13 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2kom s LEU 505 CO 0.82 0.15 0.10 -1.59 -1.32 0.00 0.00 176.35 174.51 2kom s LYS 506 N -2.53 0.75 0.55 1.98 0.00 -1.26 -4.88 119.74 114.34 2kom s LYS 506 Ca 0.28 -1.05 -0.01 0.00 0.00 0.00 0.00 55.97 55.19 2kom s LYS 506 Cb -0.11 0.29 0.02 0.00 0.00 0.00 0.00 37.83 38.03 2kom s LYS 506 CO 0.21 -0.20 0.79 0.00 0.00 0.00 0.00 175.35 176.15 2kom s ALA 507 N -3.85 3.69 0.00 0.59 0.00 -1.26 -4.42 121.76 116.51 2kom s ALA 507 Ca 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2kom s ALA 507 Cb 0.06 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2kom s ALA 507 CO -0.10 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2kom n GLY 508 N -2.38 0.67 3.76 0.00 0.00 -0.68 -5.02 105.19 101.54 2kom n GLY 508 Ca 0.06 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2kom n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kom s ASP 509 N -2.19 4.13 -0.16 1.61 -1.08 -1.26 -4.93 116.67 112.79 2kom s ASP 509 Ca 0.00 -1.65 -0.07 0.00 -0.52 0.00 0.00 52.55 50.31 2kom s ASP 509 Cb 0.00 0.51 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 2kom s ASP 509 CO 0.00 -0.85 0.08 -0.60 0.52 0.00 0.00 175.17 174.32 2kom s ARG 510 N -3.88 3.74 -0.32 4.34 3.52 -1.26 -0.67 118.95 124.43 2kom s ARG 510 Ca 0.06 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.21 2kom s ARG 510 Cb 0.02 -3.17 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2kom s ARG 510 CO 0.03 0.45 0.39 -1.17 -0.81 0.00 0.00 175.30 174.19 2kom s LEU 511 N -0.11 4.27 -0.22 -0.88 2.96 0.17 -2.58 118.68 122.30 2kom s LEU 511 Ca 0.08 0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 2kom s LEU 511 Cb -0.12 -2.41 -0.21 0.00 0.50 0.00 0.00 46.19 43.95 2kom s LEU 511 CO 0.01 -0.30 -0.03 -0.38 -1.32 0.00 0.00 176.35 174.33 2kom n ILE 512 N 5.23 1.47 -3.74 6.68 -0.00 0.64 -4.37 119.36 125.26 2kom n ILE 512 Ca -0.08 -0.71 -0.13 0.00 -0.00 0.00 0.00 62.75 61.82 2kom n ILE 512 Cb 0.50 -1.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.04 2kom n ILE 512 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2kom s GLU 513 N -2.51 0.56 -0.06 0.38 2.12 -0.89 -1.52 118.70 116.78 2kom s GLU 513 Ca -0.22 0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 2kom s GLU 513 Cb 0.08 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.75 2kom s GLU 513 CO 0.72 -0.12 -0.02 0.54 -0.54 0.00 0.00 175.26 175.84 2kom s VAL 514 N -0.53 0.44 0.00 3.70 0.11 -1.18 0.14 120.40 123.09 2kom s VAL 514 Ca -0.06 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 2kom s VAL 514 Cb -0.04 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2kom s VAL 514 CO 0.03 0.25 0.00 -3.20 -3.33 0.00 0.00 175.10 168.84 2kom n ASN 515 N 4.76 0.00 -0.63 3.54 2.85 0.28 -2.43 115.26 123.63 2kom n ASN 515 Ca -0.14 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.31 2kom n ASN 515 Cb 0.50 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.50 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kom n GLY 516 N 0.00 -0.18 3.25 8.20 0.00 -1.26 -4.45 105.19 110.75 2kom n GLY 516 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.83 -0.02 1.61 1.01 -1.02 -5.11 120.40 118.70 2kom s VAL 517 Ca 0.00 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 2kom s VAL 517 Cb 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2kom s VAL 517 CO 0.00 0.52 0.84 -1.81 0.00 0.00 0.00 175.10 174.65 2kom s ASP 518 N -0.46 7.20 -0.23 3.32 1.01 -1.26 -3.09 116.67 123.17 2kom s ASP 518 Ca 0.07 1.45 0.08 0.00 0.71 0.00 0.00 52.55 54.85 2kom s ASP 518 Cb -0.10 -2.50 -0.19 0.00 1.01 0.00 0.00 42.92 41.14 2kom s ASP 518 CO -0.00 -0.17 -0.11 0.18 0.21 0.00 0.00 175.17 175.28 2kom n LEU 519 N 3.72 1.79 -4.56 1.23 4.77 -0.57 -4.65 117.00 118.73 2kom n LEU 519 Ca 0.02 -0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 2kom n LEU 519 Cb 0.51 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2kom n LEU 519 CO 0.49 0.74 1.36 -0.69 -1.33 0.00 0.00 177.39 177.97 2kom s VAL 520 N -2.49 3.49 0.00 4.08 1.01 -1.26 -0.95 120.40 124.29 2kom s VAL 520 Ca -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2kom s VAL 520 Cb 0.07 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2kom s VAL 520 CO 0.66 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 175.35 2kom n GLY 521 N 6.80 1.84 3.06 4.51 0.00 -1.26 -4.94 105.19 115.21 2kom n GLY 521 Ca 0.40 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 2kom n GLY 521 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kom n LYS 522 N 0.00 0.23 -3.54 1.61 2.85 -0.12 -2.71 118.16 116.47 2kom n LYS 522 Ca 0.00 -2.23 -0.27 0.00 -1.05 0.00 0.00 58.31 54.76 2kom n LYS 522 Cb 0.00 -0.43 -0.03 0.00 -0.65 0.00 0.00 35.03 33.93 2kom n LYS 522 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2kom s SER 523 N -4.10 6.38 0.18 -5.58 0.01 -1.26 -3.79 113.70 105.54 2kom s SER 523 Ca 0.51 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 58.11 2kom s SER 523 Cb -0.03 -2.04 0.15 0.00 0.21 0.00 0.00 66.02 64.31 2kom s SER 523 CO 0.33 -0.14 1.76 1.56 0.41 0.00 0.00 173.24 177.16 2kom h GLN 524 N 1.59 0.39 -0.36 12.44 1.08 -1.94 -1.75 115.11 126.55 2kom h GLN 524 Ca -0.48 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 56.75 2kom h GLN 524 Cb 1.20 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 2kom h GLN 524 CO 0.66 0.26 0.25 0.93 -0.95 0.00 0.00 178.83 179.97 2kom h GLU 525 N 0.40 0.22 -0.29 1.46 3.07 -1.99 0.29 114.58 117.75 2kom h GLU 525 Ca 0.23 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 2kom h GLU 525 Cb 0.20 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2kom h GLU 525 CO -0.20 0.15 -0.40 0.93 -1.40 0.00 0.00 179.01 178.08 2kom h GLU 526 N 0.23 0.69 0.00 2.33 5.08 -1.73 -2.71 114.58 118.47 2kom h GLU 526 Ca 0.16 -0.36 -0.23 0.00 -1.00 0.00 0.00 59.36 57.93 2kom h GLU 526 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2kom h GLU 526 CO -0.03 0.97 -0.95 0.28 -1.00 0.00 0.00 179.01 178.28 2kom h VAL 527 N 0.57 1.39 -0.65 3.13 2.07 -0.60 -3.06 116.25 119.10 2kom h VAL 527 Ca 0.05 -2.44 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 2kom h VAL 527 Cb 0.94 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 2kom h VAL 527 CO 0.09 0.73 0.12 -0.37 0.02 0.00 0.00 177.57 178.16 2kom h VAL 528 N 0.24 1.26 -0.52 2.57 -1.51 -0.46 0.14 116.25 117.98 2kom h VAL 528 Ca -0.08 -1.00 0.01 0.00 -1.23 0.00 0.00 66.70 64.40 2kom h VAL 528 Cb 1.59 0.65 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 2kom h VAL 528 CO 0.17 0.37 0.33 -1.28 -1.23 0.00 0.00 177.57 175.93 2kom h SER 529 N 0.99 0.56 -0.86 4.19 0.87 -1.53 0.32 113.55 118.09 2kom h SER 529 Ca 0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2kom h SER 529 Cb 0.41 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2kom h SER 529 CO 0.01 0.40 0.54 0.25 -0.53 0.00 0.00 176.83 177.50 2kom h LEU 530 N 0.67 1.01 -0.05 2.23 5.85 -1.34 -0.80 115.31 122.88 2kom h LEU 530 Ca 0.20 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2kom h LEU 530 Cb -0.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 2kom h LEU 530 CO -0.06 0.75 -0.06 0.25 -0.34 0.00 0.00 178.44 178.98 2kom h LEU 531 N 1.17 0.14 -0.54 2.25 5.85 0.31 -2.78 115.31 121.71 2kom h LEU 531 Ca 0.31 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kom h LEU 531 Cb -0.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2kom h LEU 531 CO -0.06 0.62 0.35 0.03 -0.34 0.00 0.00 178.44 179.03 2kom h ARG 532 N -0.34 0.72 -0.08 1.25 2.47 -0.09 -2.40 114.38 115.91 2kom h ARG 532 Ca 0.01 -0.05 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 2kom h ARG 532 Cb 0.58 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 2kom h ARG 532 CO 0.01 0.49 -0.44 1.03 0.56 0.00 0.00 179.97 181.63 2kom h SER 533 N 0.73 0.20 0.00 7.04 0.87 -1.23 -3.47 113.55 117.69 2kom h SER 533 Ca 0.20 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2kom h SER 533 Cb -0.06 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2kom h SER 533 CO -0.04 0.61 0.00 0.41 -0.53 0.00 0.00 176.83 177.28 2kom n THR 534 N -4.01 0.00 0.00 2.23 -1.04 -0.90 -4.69 114.28 105.87 2kom n THR 534 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kom n THR 534 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.03 -2.82 3.00 -1.26 -4.93 118.16 112.18 2kom n LYS 535 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2kom n LYS 535 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2kom n LYS 535 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 2kom h MET 536 N 0.00 -0.04 0.40 1.64 2.86 -1.98 -3.26 114.93 114.55 2kom h MET 536 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2kom h MET 536 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2kom h MET 536 CO 0.00 -0.03 -0.19 1.49 1.06 0.00 0.00 176.91 179.24 2kom h GLU 537 N -0.04 -0.52 0.00 1.72 4.22 -1.98 -3.48 114.58 114.50 2kom h GLU 537 Ca 0.02 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2kom h GLU 537 Cb 0.07 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kom h GLU 537 CO -0.05 -0.35 0.00 0.41 -2.18 0.00 0.00 179.01 176.84 2kom n GLY 538 N -0.91 0.97 3.70 1.92 0.00 -1.23 -4.91 105.19 104.74 2kom n GLY 538 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.47 5.23 -0.07 2.61 2.01 -1.26 -0.76 115.64 122.94 2kom s THR 539 Ca 0.00 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.74 2kom s THR 539 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2kom s THR 539 CO 0.00 0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 2kom s VAL 540 N 0.85 2.95 -0.37 3.82 1.01 0.11 -4.89 120.40 123.87 2kom s VAL 540 Ca 0.20 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2kom s VAL 540 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2kom s VAL 540 CO 0.07 0.57 0.60 -0.44 0.00 0.00 0.00 175.10 175.90 2kom s SER 541 N -0.43 6.38 -0.28 3.32 0.01 -1.26 -0.42 113.70 121.01 2kom s SER 541 Ca 0.05 0.01 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 2kom s SER 541 Cb -0.12 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2kom s SER 541 CO 0.02 -0.59 0.15 -0.76 0.41 0.00 0.00 173.24 172.47 2kom s LEU 542 N 2.63 3.87 -0.26 2.44 2.01 0.29 0.10 118.68 129.76 2kom s LEU 542 Ca 0.22 -0.14 -0.05 0.00 0.01 0.00 0.00 54.13 54.17 2kom s LEU 542 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 46.19 44.01 2kom s LEU 542 CO 0.15 -0.07 0.01 -0.22 1.01 0.00 0.00 176.35 177.23 2kom s LEU 543 N 1.70 3.37 0.31 1.79 1.98 0.12 0.40 118.68 128.35 2kom s LEU 543 Ca 0.07 -0.59 0.11 0.00 -2.89 0.00 0.00 54.13 50.82 2kom s LEU 543 Cb -0.16 -1.79 -0.06 0.00 0.66 0.00 0.00 46.19 44.84 2kom s LEU 543 CO 0.08 -0.11 -0.14 0.68 -1.89 0.00 0.00 176.35 174.97 2kom s VAL 544 N 1.47 2.36 -0.24 1.68 -7.23 -0.34 -0.26 120.40 117.83 2kom s VAL 544 Ca 0.03 -2.30 -0.00 0.00 -1.81 0.00 0.00 61.98 57.90 2kom s VAL 544 Cb -0.16 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2kom s VAL 544 CO -0.01 -0.29 -0.09 0.12 -0.31 0.00 0.00 175.10 174.52 2kom s PHE 545 N -2.56 3.06 -0.29 2.82 5.36 -1.06 0.46 117.98 125.77 2kom s PHE 545 Ca 0.31 -1.74 -0.10 0.00 -0.96 0.00 0.00 56.93 54.45 2kom s PHE 545 Cb -0.01 -2.01 -0.03 0.00 -0.34 0.00 0.00 43.02 40.63 2kom s PHE 545 CO 0.16 -0.78 0.16 0.50 -1.46 0.00 0.00 175.22 173.80 2kom s ARG 546 N 1.27 3.71 0.18 10.12 3.52 -0.48 -4.36 118.95 132.91 2kom s ARG 546 Ca -0.01 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 2kom s ARG 546 Cb -0.17 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 2kom s ARG 546 CO -0.06 -0.26 0.96 1.14 -0.81 0.00 0.00 175.30 176.27 2kom s GLN 547 N 1.69 4.77 0.01 5.12 -2.07 -1.26 -3.52 119.66 124.41 2kom s GLN 547 Ca 0.06 1.49 -0.16 0.00 -1.82 0.00 0.00 55.36 54.93 2kom s GLN 547 Cb -0.16 -3.32 -0.06 0.00 -1.09 0.00 0.00 33.01 28.38 2kom s GLN 547 CO 0.08 0.36 0.46 -2.00 -1.32 0.00 0.00 175.29 172.88 2kom s GLU 548 N -0.64 4.05 0.00 9.60 2.56 -1.26 -5.07 118.70 127.94 2kom s GLU 548 Ca 0.44 0.52 0.12 0.00 0.00 0.00 0.00 54.97 56.04 2kom s GLU 548 Cb -0.25 -3.25 0.09 0.00 2.00 0.00 0.00 34.13 32.72 2kom s GLU 548 CO 0.31 0.62 0.87 -0.40 -0.56 0.00 0.00 175.26 176.10