#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 6.52 0.00 1.61 1.04 -1.26 -4.93 113.70 116.68 2kom s SER 450 Ca 0.00 0.62 0.23 0.00 0.48 0.00 0.00 55.95 57.28 2kom s SER 450 Cb 0.00 -2.26 0.05 0.00 0.10 0.00 0.00 66.02 63.90 2kom s SER 450 CO 0.00 -0.10 1.12 -1.22 0.98 0.00 0.00 173.24 174.02 2kom n TYR 451 N 4.45 0.00 -2.23 5.02 4.01 -1.26 -4.97 117.16 122.19 2kom n TYR 451 Ca -0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.35 2kom n TYR 451 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 2kom n TYR 451 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2kom s ASN 452 N -2.31 6.36 -0.29 7.72 -0.87 -1.26 -5.05 114.94 119.24 2kom s ASN 452 Ca 0.21 1.60 -0.01 0.00 -1.57 0.00 0.00 52.86 53.09 2kom s ASN 452 Cb 0.18 -2.51 0.13 0.00 -0.02 0.00 0.00 41.25 39.04 2kom s ASN 452 CO 0.49 -0.77 0.29 -0.89 -2.57 0.00 0.00 177.10 173.65 2kom s THR 453 N -2.68 -0.40 -0.77 1.60 2.01 -1.26 -5.08 115.64 109.06 2kom s THR 453 Ca 0.59 -0.46 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 2kom s THR 453 Cb -0.11 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.45 2kom s THR 453 CO 0.36 -0.45 1.34 -0.75 -0.69 0.00 0.00 174.62 174.43 2kom s LYS 454 N 2.36 3.20 -0.19 4.92 2.20 -1.26 -4.97 119.74 126.02 2kom s LYS 454 Ca 0.09 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.28 2kom s LYS 454 Cb -0.14 -4.36 -0.05 0.00 -1.51 0.00 0.00 37.83 31.77 2kom s LYS 454 CO -0.32 -2.20 0.18 0.21 -0.36 0.00 0.00 175.35 172.86 2kom s LYS 455 N 5.73 4.19 -0.12 4.03 2.47 -1.26 -5.07 119.74 129.71 2kom s LYS 455 Ca 0.39 -0.12 -0.26 0.00 -1.56 0.00 0.00 55.97 54.41 2kom s LYS 455 Cb -0.07 -3.41 -0.02 0.00 -1.46 0.00 0.00 37.83 32.86 2kom s LYS 455 CO 0.12 0.30 0.85 0.96 0.16 0.00 0.00 175.35 177.74 2kom s ILE 456 N 0.35 4.90 0.00 5.43 -5.25 -1.26 -4.21 121.20 121.15 2kom s ILE 456 Ca 0.11 1.72 0.00 0.00 -0.99 0.00 0.00 60.65 61.49 2kom s ILE 456 Cb -0.12 -4.17 0.00 0.00 2.95 0.00 0.00 42.46 41.12 2kom s ILE 456 CO -0.00 0.08 0.00 0.61 -1.79 0.00 0.00 174.94 173.84 2kom n GLY 457 N 3.26 0.80 3.78 6.27 0.00 -0.69 -4.62 105.19 113.98 2kom n GLY 457 Ca 0.04 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2kom n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kom s LYS 458 N -2.09 4.35 -0.10 1.61 -0.14 -0.50 -4.88 119.74 117.98 2kom s LYS 458 Ca 0.00 0.85 -0.03 0.00 -1.36 0.00 0.00 55.97 55.43 2kom s LYS 458 Cb 0.00 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 2kom s LYS 458 CO 0.00 0.47 0.02 1.03 -0.76 0.00 0.00 175.35 176.11 2kom s ARG 459 N -0.58 3.16 -0.10 1.68 0.52 -1.26 -0.55 118.95 121.83 2kom s ARG 459 Ca 0.32 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2kom s ARG 459 Cb -0.20 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.39 2kom s ARG 459 CO 0.20 0.66 -0.19 -0.51 0.02 0.00 0.00 175.30 175.48 2kom s LEU 460 N -0.74 1.89 -0.33 2.53 1.02 0.97 -4.92 118.68 119.11 2kom s LEU 460 Ca 0.12 -0.47 -0.16 0.00 0.02 0.00 0.00 54.13 53.64 2kom s LEU 460 Cb -0.12 -1.19 -0.02 0.00 0.02 0.00 0.00 46.19 44.88 2kom s LEU 460 CO 0.02 0.08 0.39 0.54 0.02 0.00 0.00 176.35 177.41 2kom s ASN 461 N 0.64 6.22 0.04 2.29 2.20 -1.26 -0.62 114.94 124.44 2kom s ASN 461 Ca -0.13 -0.09 0.08 0.00 -0.94 0.00 0.00 52.86 51.78 2kom s ASN 461 Cb -0.16 -2.21 -0.02 0.00 -2.00 0.00 0.00 41.25 36.85 2kom s ASN 461 CO 0.04 -0.33 -0.22 -0.63 -2.94 0.00 0.00 177.10 173.02 2kom s ILE 462 N 2.09 1.75 -0.10 0.54 1.01 0.12 -4.96 121.20 121.66 2kom s ILE 462 Ca 0.14 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 59.63 2kom s ILE 462 Cb -0.16 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 2kom s ILE 462 CO 0.12 0.27 -0.24 -1.10 0.00 0.00 0.00 174.94 173.98 2kom s GLN 463 N -1.11 3.05 0.17 2.79 -0.21 -1.26 0.69 119.66 123.78 2kom s GLN 463 Ca 0.08 -0.88 0.10 0.00 0.02 0.00 0.00 55.36 54.68 2kom s GLN 463 Cb -0.09 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 2kom s GLN 463 CO 0.02 0.18 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.69 2kom s LEU 464 N 0.34 2.71 -0.14 2.90 2.01 0.24 -4.90 118.68 121.84 2kom s LEU 464 Ca -0.19 -0.67 -0.01 0.00 0.01 0.00 0.00 54.13 53.27 2kom s LEU 464 Cb -0.18 -1.46 -0.02 0.00 0.01 0.00 0.00 46.19 44.55 2kom s LEU 464 CO 0.09 0.13 -0.11 -0.75 1.01 0.00 0.00 176.35 176.72 2kom s LYS 465 N -2.57 3.43 -0.41 1.70 2.20 -1.26 0.36 119.74 123.18 2kom s LYS 465 Ca 0.21 -0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 2kom s LYS 465 Cb -0.09 -2.70 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 2kom s LYS 465 CO 0.12 0.19 2.35 0.21 -0.36 0.00 0.00 175.35 177.86 2kom s LYS 466 N 0.42 2.39 0.00 4.03 2.20 0.80 -4.51 119.74 125.07 2kom s LYS 466 Ca -0.09 1.58 -0.09 0.00 -0.36 0.00 0.00 55.97 57.01 2kom s LYS 466 Cb -0.16 -4.52 0.01 0.00 -1.51 0.00 0.00 37.83 31.65 2kom s LYS 466 CO 0.05 -2.95 0.19 0.20 -0.36 0.00 0.00 175.35 172.48 2kom s GLY 467 N 11.07 -0.01 0.00 5.54 0.00 -1.26 -4.81 107.32 117.85 2kom s GLY 467 Ca 0.98 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.67 2kom s GLY 467 CO 0.29 -0.19 0.00 2.41 0.00 0.00 0.00 173.10 175.60 2kom n THR 468 N 1.32 0.00 0.03 0.90 -1.04 -1.26 -0.28 114.28 113.95 2kom n THR 468 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2kom n THR 468 Cb 0.56 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2kom n THR 468 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kom n GLU 469 N 0.00 4.25 0.00 -2.82 -0.58 -1.26 -4.93 120.64 115.30 2kom n GLU 469 Ca 0.00 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2kom n GLU 469 Cb 0.00 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kom n GLY 470 N 0.69 0.31 3.52 0.62 0.00 0.62 -4.76 105.19 106.18 2kom n GLY 470 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 0.74 -2.47 0.99 4.32 -1.26 0.12 117.00 119.44 2kom n LEU 471 Ca 0.00 -0.21 -0.34 0.00 -0.02 0.00 0.00 56.01 55.44 2kom n LEU 471 Cb 0.00 -1.11 0.05 0.00 -1.62 0.00 0.00 43.42 40.75 2kom n LEU 471 CO 0.00 -1.17 1.23 0.61 -1.22 0.00 0.00 177.39 176.84 2kom n GLY 472 N 6.26 5.85 3.13 -0.72 0.00 -1.26 -4.85 105.19 113.60 2kom n GLY 472 Ca 0.57 -2.44 -0.22 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.85 1.29 0.09 1.61 -0.71 -1.26 -0.06 117.98 115.08 2kom s PHE 473 Ca 0.58 -0.28 0.08 0.00 -1.04 0.00 0.00 56.93 56.26 2kom s PHE 473 Cb 0.47 -0.80 -0.04 0.00 -1.21 0.00 0.00 43.02 41.44 2kom s PHE 473 CO -0.14 0.00 -0.15 0.45 -1.34 0.00 0.00 175.22 174.05 2kom s SER 474 N -0.64 4.05 0.22 1.98 0.15 0.74 -4.96 113.70 115.23 2kom s SER 474 Ca 0.04 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.34 2kom s SER 474 Cb -0.06 -0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2kom s SER 474 CO 0.00 0.20 -0.14 0.27 1.20 0.00 0.00 173.24 174.78 2kom s ILE 475 N -1.11 2.89 0.07 6.45 -4.36 -1.26 0.70 121.20 124.59 2kom s ILE 475 Ca 0.18 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 2kom s ILE 475 Cb -0.11 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2kom s ILE 475 CO 0.10 -0.21 -0.05 0.28 0.24 0.00 0.00 174.94 175.30 2kom s THR 476 N -1.95 0.42 -0.09 8.37 -1.32 0.10 -4.65 115.64 116.53 2kom s THR 476 Ca 0.26 -1.85 0.04 0.00 -1.21 0.00 0.00 61.69 58.93 2kom s THR 476 Cb -0.07 -1.57 -0.00 0.00 -1.51 0.00 0.00 72.50 69.34 2kom s THR 476 CO 0.15 -0.94 -0.23 -0.94 -2.21 0.00 0.00 174.62 170.45 2kom s SER 477 N -2.95 2.94 -0.21 8.08 1.04 -1.26 0.11 113.70 121.44 2kom s SER 477 Ca 0.09 -0.52 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 2kom s SER 477 Cb 0.07 -1.21 0.02 0.00 0.10 0.00 0.00 66.02 64.99 2kom s SER 477 CO -0.08 0.17 -0.13 -0.13 0.98 0.00 0.00 173.24 174.05 2kom s ARG 478 N 0.25 2.91 0.06 4.02 1.81 -1.01 -5.00 118.95 121.99 2kom s ARG 478 Ca -0.15 -0.90 -0.30 0.00 -1.72 0.00 0.00 55.73 52.65 2kom s ARG 478 Cb -0.17 -2.78 -0.09 0.00 -0.45 0.00 0.00 34.95 31.46 2kom s ARG 478 CO 0.07 -0.30 1.89 0.34 -0.68 0.00 0.00 175.30 176.62 2kom s ASP 479 N 1.30 6.47 -0.07 0.23 2.15 -1.26 -3.33 116.67 122.16 2kom s ASP 479 Ca 0.02 2.65 -0.25 0.00 0.43 0.00 0.00 52.55 55.41 2kom s ASP 479 Cb -0.15 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.90 2kom s ASP 479 CO -0.08 -1.02 0.76 0.54 -0.17 0.00 0.00 175.17 175.19 2kom s VAL 480 N 3.86 5.00 0.02 1.11 0.11 -1.26 -4.94 120.40 124.30 2kom s VAL 480 Ca 0.84 1.56 -0.18 0.00 -2.93 0.00 0.00 61.98 61.27 2kom s VAL 480 Cb -0.43 -4.09 -0.25 0.00 -1.53 0.00 0.00 36.38 30.08 2kom s VAL 480 CO 0.39 0.20 1.09 0.74 -3.33 0.00 0.00 175.10 174.19 2kom h THR 481 N 4.84 1.39 -2.18 5.04 2.02 -2.04 -3.39 112.91 118.60 2kom h THR 481 Ca -0.39 -2.21 -0.72 0.00 0.77 0.00 0.00 66.41 63.85 2kom h THR 481 Cb 1.19 2.65 -0.17 0.00 -1.74 0.00 0.00 68.15 70.08 2kom h THR 481 CO 0.76 0.65 1.24 0.27 0.37 0.00 0.00 175.52 178.82 2kom s ILE 482 N -3.10 4.90 -2.19 3.11 -4.36 -1.26 -4.82 121.20 113.48 2kom s ILE 482 Ca -0.12 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 57.97 2kom s ILE 482 Cb 0.04 -4.89 0.00 0.00 1.25 0.00 0.00 42.46 38.86 2kom s ILE 482 CO 0.86 -1.61 0.00 0.61 0.24 0.00 0.00 174.94 175.04 2kom n GLY 483 N 4.57 0.67 3.13 6.27 0.00 -1.26 -5.02 105.19 113.55 2kom n GLY 483 Ca 0.33 -2.04 0.03 0.00 0.00 0.00 0.00 46.02 44.34 2kom n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kom s GLY 484 N 0.00 -1.26 0.00 -0.02 0.00 -1.26 -4.89 107.32 99.88 2kom s GLY 484 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2kom s GLY 484 CO 0.00 3.81 0.00 -1.26 0.00 0.00 0.00 173.10 175.65 2kom n SER 485 N 4.78 0.00 -1.92 1.64 2.88 -1.26 -5.04 113.62 114.70 2kom n SER 485 Ca 0.08 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.61 2kom n SER 485 Cb 0.57 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.43 -3.22 -1.07 -1.46 0.00 -1.26 -4.75 120.51 107.32 2kom n ALA 486 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 2kom n ALA 486 Cb 0.00 -0.94 0.12 0.00 0.00 0.00 0.00 19.45 18.63 2kom n ALA 486 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kom s PRO 487 N -0.71 1.85 -0.12 0.00 0.02 -1.21 -4.71 135.00 130.12 2kom s PRO 487 Ca -0.04 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.16 2kom s PRO 487 Cb 0.00 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 2kom s PRO 487 CO 0.29 -1.97 0.23 0.42 -0.33 0.00 0.00 177.00 175.63 2kom s ILE 488 N -2.82 5.35 0.15 2.83 -1.09 -1.26 -2.40 121.20 121.96 2kom s ILE 488 Ca 0.63 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.54 2kom s ILE 488 Cb -0.19 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2kom s ILE 488 CO 0.57 0.52 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.33 2kom s TYR 489 N -0.40 1.62 -0.26 3.97 2.02 0.12 -0.24 117.35 124.18 2kom s TYR 489 Ca 0.16 -0.53 -0.27 0.00 -0.37 0.00 0.00 57.07 56.06 2kom s TYR 489 Cb -0.13 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 2kom s TYR 489 CO 0.05 0.25 0.93 0.08 -1.57 0.00 0.00 175.55 175.29 2kom s VAL 490 N -2.29 4.72 -0.15 0.71 1.01 0.12 0.01 120.40 124.53 2kom s VAL 490 Ca 0.14 1.70 -0.15 0.00 0.00 0.00 0.00 61.98 63.67 2kom s VAL 490 Cb -0.04 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 2kom s VAL 490 CO 0.05 -0.20 0.21 0.50 0.00 0.00 0.00 175.10 175.65 2kom h LYS 491 N 7.73 0.00 -4.50 2.72 3.64 0.01 0.21 116.57 126.39 2kom h LYS 491 Ca -0.21 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.96 2kom h LYS 491 Cb 1.08 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.73 2kom h LYS 491 CO 0.94 0.52 -0.70 -0.80 -2.27 0.00 0.00 179.45 177.13 2kom s ASN 492 N -6.11 0.88 -0.21 4.20 -0.87 -1.09 -4.43 114.94 107.31 2kom s ASN 492 Ca -0.16 -0.87 0.02 0.00 -1.57 0.00 0.00 52.86 50.28 2kom s ASN 492 Cb 0.01 0.10 0.04 0.00 -0.02 0.00 0.00 41.25 41.38 2kom s ASN 492 CO 0.38 -0.42 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.71 2kom s ILE 493 N -3.03 2.05 0.96 0.60 -1.09 -1.26 -0.18 121.20 119.25 2kom s ILE 493 Ca 0.04 -1.21 -0.11 0.00 -2.23 0.00 0.00 60.65 57.14 2kom s ILE 493 Cb 0.01 -2.00 0.17 0.00 -1.58 0.00 0.00 42.46 39.06 2kom s ILE 493 CO -0.04 0.28 1.10 -0.76 -1.23 0.00 0.00 174.94 174.29 2kom s LEU 494 N 1.23 2.26 0.00 2.97 1.02 0.91 -4.90 118.68 122.16 2kom s LEU 494 Ca -0.01 1.88 0.22 0.00 0.02 0.00 0.00 54.13 56.24 2kom s LEU 494 Cb -0.16 -4.17 1.15 0.00 0.02 0.00 0.00 46.19 43.03 2kom s LEU 494 CO -0.09 -3.22 1.73 -0.81 0.02 0.00 0.00 176.35 173.98 2kom n PRO 495 N -4.29 0.35 -3.88 1.29 -0.04 -1.26 -4.69 135.00 122.49 2kom n PRO 495 Ca 0.09 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2kom n PRO 495 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2kom n PRO 495 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kom s ARG 496 N -2.52 1.95 0.00 0.54 0.52 -1.26 -4.99 118.95 113.19 2kom s ARG 496 Ca 0.22 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 2kom s ARG 496 Cb 0.15 0.59 0.00 0.00 0.52 0.00 0.00 34.95 36.21 2kom s ARG 496 CO 0.33 -0.89 0.00 0.41 0.02 0.00 0.00 175.30 175.18 2kom n GLY 497 N -0.49 -1.98 0.10 -3.53 0.00 -1.26 -4.56 105.19 93.47 2kom n GLY 497 Ca -0.05 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 0.21 -0.84 4.61 0.00 0.11 -1.54 119.26 121.80 2kom h ALA 498 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2kom h ALA 498 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2kom h ALA 498 CO 0.00 -0.33 0.52 0.00 0.00 0.00 0.00 179.25 179.44 2kom h ALA 499 N 1.08 1.15 0.16 0.00 0.00 -1.84 0.20 119.26 120.00 2kom h ALA 499 Ca 0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 2kom h ALA 499 Cb -0.00 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.57 2kom h ALA 499 CO -0.03 0.27 -1.03 0.97 0.00 0.00 0.00 179.25 179.43 2kom h ILE 500 N 0.96 1.39 -0.81 0.00 2.10 -1.79 0.16 117.51 119.52 2kom h ILE 500 Ca 0.36 -2.54 0.03 0.00 1.08 0.00 0.00 64.86 63.79 2kom h ILE 500 Cb 0.15 3.09 -0.04 0.00 -1.09 0.00 0.00 36.82 38.93 2kom h ILE 500 CO -0.17 0.73 0.53 1.56 -1.08 0.00 0.00 178.15 179.73 2kom h GLN 501 N -0.28 0.98 0.05 2.19 7.50 -0.88 -2.17 115.11 122.50 2kom h GLN 501 Ca -0.19 -0.06 -0.31 0.00 0.50 0.00 0.00 58.65 58.59 2kom h GLN 501 Cb 1.75 -0.22 -0.04 0.00 0.05 0.00 0.00 27.48 29.02 2kom h GLN 501 CO 0.16 0.65 -1.76 -0.44 -1.50 0.00 0.00 178.83 175.94 2kom h ASP 502 N 1.01 0.15 -5.25 1.46 5.19 -1.11 -3.49 116.42 114.38 2kom h ASP 502 Ca 0.32 -0.32 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 2kom h ASP 502 Cb 0.01 -0.05 0.15 0.00 0.18 0.00 0.00 39.33 39.62 2kom h ASP 502 CO -0.09 1.29 -0.69 0.61 -3.12 0.00 0.00 179.24 177.23 2kom n GLY 503 N 1.69 -0.33 0.00 2.75 0.00 0.54 -4.94 105.19 104.90 2kom n GLY 503 Ca -0.21 0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2kom n GLY 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kom n ARG 504 N -3.73 0.86 -5.29 1.61 5.12 -1.20 -5.01 116.66 109.02 2kom n ARG 504 Ca -0.24 -0.03 -0.31 0.00 -1.93 0.00 0.00 57.85 55.34 2kom n ARG 504 Cb 0.65 -1.02 -0.16 0.00 -1.16 0.00 0.00 32.46 30.77 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kom s LEU 505 N -3.08 2.07 0.15 0.55 0.20 -1.26 -5.06 118.68 112.26 2kom s LEU 505 Ca -0.01 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.38 2kom s LEU 505 Cb 0.02 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.38 2kom s LEU 505 CO 0.13 0.30 -0.08 -1.59 -0.29 0.00 0.00 176.35 174.82 2kom s LYS 506 N -0.51 1.08 0.76 1.98 0.00 -1.26 -4.79 119.74 116.99 2kom s LYS 506 Ca 0.07 -1.47 -0.12 0.00 0.00 0.00 0.00 55.97 54.45 2kom s LYS 506 Cb -0.11 -0.57 0.05 0.00 0.00 0.00 0.00 37.83 37.20 2kom s LYS 506 CO 0.00 0.04 1.13 0.00 0.00 0.00 0.00 175.35 176.51 2kom s ALA 507 N -3.38 2.67 -0.73 0.59 0.00 -1.26 -4.02 121.76 115.64 2kom s ALA 507 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2kom s ALA 507 Cb 0.03 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2kom s ALA 507 CO 0.01 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.73 2kom n GLY 508 N -2.96 0.89 3.70 0.00 0.00 0.75 -4.98 105.19 102.59 2kom n GLY 508 Ca 0.07 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.92 4.12 -0.12 1.61 -1.08 -1.25 -4.91 116.67 112.11 2kom s ASP 509 Ca 0.00 -1.36 -0.03 0.00 -0.52 0.00 0.00 52.55 50.63 2kom s ASP 509 Cb 0.00 -0.14 -0.03 0.00 -1.46 0.00 0.00 42.92 41.28 2kom s ASP 509 CO 0.00 -0.61 -0.01 -0.60 0.52 0.00 0.00 175.17 174.47 2kom s ARG 510 N -3.83 3.34 -0.20 4.34 3.52 -1.14 0.10 118.95 125.09 2kom s ARG 510 Ca 0.29 -0.44 -0.15 0.00 -0.13 0.00 0.00 55.73 55.30 2kom s ARG 510 Cb 0.06 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2kom s ARG 510 CO 0.16 0.49 0.34 -0.51 -0.81 0.00 0.00 175.30 174.97 2kom s LEU 511 N -0.29 4.17 -0.23 -0.88 1.43 0.67 -0.41 118.68 123.14 2kom s LEU 511 Ca 0.06 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 2kom s LEU 511 Cb -0.12 -2.43 -0.17 0.00 0.03 0.00 0.00 46.19 43.49 2kom s LEU 511 CO 0.02 -0.02 -0.09 -0.38 0.23 0.00 0.00 176.35 176.11 2kom n ILE 512 N 4.15 1.56 -3.56 -0.59 2.08 0.14 -4.19 119.36 118.95 2kom n ILE 512 Ca -0.10 -0.42 -0.14 0.00 0.56 0.00 0.00 62.75 62.65 2kom n ILE 512 Cb 0.51 -1.75 -0.05 0.00 -0.75 0.00 0.00 39.64 37.60 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 -2.49 1.05 -0.07 0.38 -1.05 -1.19 -0.76 118.70 114.57 2kom s GLU 513 Ca -0.33 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 2kom s GLU 513 Cb 0.10 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2kom s GLU 513 CO 0.59 -0.39 -0.05 0.54 0.95 0.00 0.00 175.26 176.90 2kom s VAL 514 N -2.53 0.71 0.00 1.83 0.11 -0.81 -0.45 120.40 119.26 2kom s VAL 514 Ca -0.05 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2kom s VAL 514 Cb -0.01 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2kom s VAL 514 CO -0.02 0.29 0.00 -3.20 -3.33 0.00 0.00 175.10 168.83 2kom n ASN 515 N 4.49 -3.80 0.00 3.54 2.85 0.27 -2.10 115.26 120.51 2kom n ASN 515 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2kom n ASN 515 Cb 0.51 -2.37 0.00 0.00 1.24 0.00 0.00 39.78 39.15 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 -0.67 1.29 3.70 8.20 0.00 -1.26 -4.87 105.19 111.58 2kom n GLY 516 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.01 5.28 0.32 1.61 1.01 -0.89 -5.05 120.40 120.66 2kom s VAL 517 Ca 0.00 0.55 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2kom s VAL 517 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2kom s VAL 517 CO 0.00 0.33 1.07 -1.81 0.00 0.00 0.00 175.10 174.69 2kom s ASP 518 N 0.76 7.12 -0.26 3.32 1.11 -1.26 -1.92 116.67 125.54 2kom s ASP 518 Ca 0.16 2.16 0.02 0.00 0.18 0.00 0.00 52.55 55.08 2kom s ASP 518 Cb -0.14 -2.61 -0.17 0.00 1.07 0.00 0.00 42.92 41.07 2kom s ASP 518 CO 0.05 -0.24 -0.22 0.18 1.18 0.00 0.00 175.17 176.12 2kom n LEU 519 N 0.78 2.92 -4.55 1.23 4.77 0.06 -4.62 117.00 117.58 2kom n LEU 519 Ca 0.01 -0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 2kom n LEU 519 Cb 0.47 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 2kom n LEU 519 CO 0.51 0.93 1.43 -0.69 -1.33 0.00 0.00 177.39 178.23 2kom s VAL 520 N -2.52 3.52 0.00 4.08 1.01 -1.25 -0.64 120.40 124.59 2kom s VAL 520 Ca -0.34 0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2kom s VAL 520 Cb 0.09 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kom s VAL 520 CO 0.60 -1.30 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2kom n GLY 521 N 5.73 0.99 3.77 4.51 0.00 -1.26 -5.12 105.19 113.82 2kom n GLY 521 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 2.18 0.43 1.61 -2.85 0.18 -5.12 119.74 116.17 2kom s LYS 522 Ca 0.00 -2.23 -0.02 0.00 -1.00 0.00 0.00 55.97 52.72 2kom s LYS 522 Cb 0.00 -1.71 -0.03 0.00 -2.06 0.00 0.00 37.83 34.04 2kom s LYS 522 CO 0.00 -0.35 0.68 -1.12 0.10 0.00 0.00 175.35 174.66 2kom s SER 523 N -3.94 6.16 0.16 0.03 0.01 -1.26 -4.99 113.70 109.86 2kom s SER 523 Ca 0.19 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.90 2kom s SER 523 Cb 0.02 -2.00 0.10 0.00 0.21 0.00 0.00 66.02 64.35 2kom s SER 523 CO 0.10 -0.52 1.73 -0.61 0.41 0.00 0.00 173.24 174.36 2kom h GLN 524 N 0.44 0.21 -0.15 12.44 5.75 -1.94 -2.43 115.11 129.44 2kom h GLN 524 Ca -0.48 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 2kom h GLN 524 Cb 1.22 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 2kom h GLN 524 CO 0.61 0.14 -0.03 0.93 -2.65 0.00 0.00 178.83 177.83 2kom h GLU 525 N 0.22 0.21 -0.60 1.69 5.08 -1.99 0.57 114.58 119.76 2kom h GLU 525 Ca 0.19 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2kom h GLU 525 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kom h GLU 525 CO -0.24 0.26 0.13 0.93 -1.00 0.00 0.00 179.01 179.09 2kom h GLU 526 N 0.21 0.98 -0.27 2.33 5.08 -1.84 -2.02 114.58 119.05 2kom h GLU 526 Ca 0.05 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 57.98 2kom h GLU 526 Cb 0.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kom h GLU 526 CO 0.01 0.91 -0.56 0.28 -1.00 0.00 0.00 179.01 178.65 2kom h VAL 527 N 0.89 1.28 -0.54 3.13 2.07 -0.91 -1.52 116.25 120.65 2kom h VAL 527 Ca 0.19 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 2kom h VAL 527 Cb 0.38 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2kom h VAL 527 CO 0.01 0.57 0.09 -0.37 0.02 0.00 0.00 177.57 177.88 2kom h VAL 528 N 0.64 1.25 -0.72 2.57 -1.51 -0.86 0.29 116.25 117.91 2kom h VAL 528 Ca 0.01 -0.96 -0.02 0.00 -1.23 0.00 0.00 66.70 64.50 2kom h VAL 528 Cb 1.16 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 2kom h VAL 528 CO 0.12 0.35 0.36 0.28 -1.23 0.00 0.00 177.57 177.45 2kom h SER 529 N 0.78 0.92 -0.34 4.19 0.02 -1.29 0.44 113.55 118.28 2kom h SER 529 Ca 0.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2kom h SER 529 Cb 0.41 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2kom h SER 529 CO 0.01 0.78 0.19 0.25 -1.14 0.00 0.00 176.83 176.93 2kom h LEU 530 N 1.00 0.43 -0.40 5.07 5.85 -0.89 -1.63 115.31 124.73 2kom h LEU 530 Ca 0.25 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kom h LEU 530 Cb 0.09 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2kom h LEU 530 CO -0.03 0.38 0.15 0.25 -0.34 0.00 0.00 178.44 178.85 2kom h LEU 531 N 0.43 0.56 -1.45 2.25 6.46 0.20 -0.38 115.31 123.39 2kom h LEU 531 Ca 0.12 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 2kom h LEU 531 Cb 0.05 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 2kom h LEU 531 CO -0.02 0.58 -0.01 0.03 -0.62 0.00 0.00 178.44 178.40 2kom h ARG 532 N 0.50 0.34 -0.13 1.25 2.47 0.05 -1.77 114.38 117.10 2kom h ARG 532 Ca 0.13 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 2kom h ARG 532 Cb 0.20 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2kom h ARG 532 CO -0.01 0.38 -0.37 1.03 0.56 0.00 0.00 179.97 181.56 2kom h SER 533 N 0.33 0.55 0.00 7.04 0.87 -1.09 -3.47 113.55 117.79 2kom h SER 533 Ca 0.08 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2kom h SER 533 Cb 0.25 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2kom h SER 533 CO 0.01 1.05 0.00 0.41 -0.53 0.00 0.00 176.83 177.76 2kom n THR 534 N -4.33 0.00 0.00 2.23 -1.04 -0.17 -4.59 114.28 106.38 2kom n THR 534 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2kom n THR 534 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 0.02 -2.82 3.00 -1.26 -4.85 118.16 112.24 2kom n LYS 535 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 2kom n LYS 535 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 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 0.00 0.00 1.64 2.86 -1.94 -3.40 114.93 114.08 2kom h MET 536 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kom h MET 536 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kom h MET 536 CO 0.00 0.53 0.00 0.39 1.06 0.00 0.00 176.91 178.89 2kom n GLU 537 N -3.07 0.00 0.00 1.72 1.02 -1.26 -5.00 120.64 114.05 2kom n GLU 537 Ca -0.11 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2kom n GLU 537 Cb 0.96 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 2kom n GLU 537 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kom n GLY 538 N -0.40 0.64 3.85 0.62 0.00 -1.26 -5.03 105.19 103.61 2kom n GLY 538 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 5.09 -0.04 2.61 2.01 -1.26 -0.14 115.64 123.92 2kom s THR 539 Ca 0.00 0.68 0.05 0.00 0.31 0.00 0.00 61.69 62.73 2kom s THR 539 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 2kom s THR 539 CO 0.00 0.51 -0.19 0.54 -0.69 0.00 0.00 174.62 174.79 2kom s VAL 540 N -1.16 1.58 -0.08 3.82 0.11 0.16 -4.83 120.40 119.99 2kom s VAL 540 Ca 0.25 -0.81 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 2kom s VAL 540 Cb -0.16 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 2kom s VAL 540 CO 0.14 0.45 0.46 -0.44 -3.33 0.00 0.00 175.10 172.37 2kom s SER 541 N -0.13 6.72 -0.03 3.54 0.01 -1.26 -0.59 113.70 121.97 2kom s SER 541 Ca -0.01 0.86 0.06 0.00 1.31 0.00 0.00 55.95 58.17 2kom s SER 541 Cb -0.11 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 2kom s SER 541 CO 0.02 0.10 -0.20 -0.76 0.41 0.00 0.00 173.24 172.80 2kom s LEU 542 N 0.12 2.02 -0.17 2.44 2.01 0.22 0.96 118.68 126.28 2kom s LEU 542 Ca 0.25 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.02 2kom s LEU 542 Cb -0.16 -1.07 0.01 0.00 0.01 0.00 0.00 46.19 44.99 2kom s LEU 542 CO 0.11 0.23 -0.19 -0.22 1.01 0.00 0.00 176.35 177.29 2kom s LEU 543 N -0.34 2.22 0.29 1.79 2.96 0.40 0.14 118.68 126.13 2kom s LEU 543 Ca 0.04 -0.60 0.10 0.00 -0.22 0.00 0.00 54.13 53.45 2kom s LEU 543 Cb -0.09 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2kom s LEU 543 CO 0.00 0.04 -0.02 0.68 -1.32 0.00 0.00 176.35 175.73 2kom s VAL 544 N 1.08 3.06 -0.05 1.68 -7.23 0.21 0.28 120.40 119.44 2kom s VAL 544 Ca -0.00 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2kom s VAL 544 Cb -0.14 -2.76 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2kom s VAL 544 CO -0.07 -0.32 -0.06 0.12 -0.31 0.00 0.00 175.10 174.45 2kom s PHE 545 N -2.41 0.93 -0.01 2.82 5.36 0.46 -0.02 117.98 125.11 2kom s PHE 545 Ca 0.32 -0.30 0.07 0.00 -0.96 0.00 0.00 56.93 56.07 2kom s PHE 545 Cb -0.04 -0.78 -0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2kom s PHE 545 CO 0.19 -0.22 -0.23 1.03 -1.46 0.00 0.00 175.22 174.53 2kom s ARG 546 N 0.90 1.83 0.17 10.12 0.52 0.29 -2.87 118.95 129.91 2kom s ARG 546 Ca -0.11 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 2kom s ARG 546 Cb -0.15 -1.81 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 2kom s ARG 546 CO 0.01 0.49 1.04 -1.14 0.02 0.00 0.00 175.30 175.72 2kom s GLN 547 N -0.67 4.65 2.67 3.54 0.74 -1.26 -1.41 119.66 127.92 2kom s GLN 547 Ca 0.09 1.61 0.00 0.00 0.05 0.00 0.00 55.36 57.11 2kom s GLN 547 Cb -0.09 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2kom s GLN 547 CO -0.00 0.17 0.00 0.39 -0.55 0.00 0.00 175.29 175.29 2kom n GLU 548 N 2.38 0.00 0.00 1.67 1.02 -1.26 -4.70 120.64 119.76 2kom n GLU 548 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 2kom n GLU 548 Cb 0.47 0.00 0.50 0.00 -0.02 0.00 0.00 31.44 32.39 2kom n GLU 548 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84