#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 -1.36 -0.10 1.61 1.04 -1.26 -5.15 113.70 108.48 2kom s SER 450 Ca 0.00 0.87 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 2kom s SER 450 Cb 0.00 2.15 0.04 0.00 0.10 0.00 0.00 66.02 68.31 2kom s SER 450 CO 0.00 -0.25 0.25 -0.47 0.98 0.00 0.00 173.24 173.75 2kom s TYR 451 N 2.86 -0.32 -0.68 5.02 5.04 -1.26 -5.10 117.35 122.92 2kom s TYR 451 Ca 0.20 0.76 -0.21 0.00 -2.44 0.00 0.00 57.07 55.38 2kom s TYR 451 Cb -0.15 0.07 0.09 0.00 0.35 0.00 0.00 41.96 42.32 2kom s TYR 451 CO -0.21 -0.20 0.91 1.21 -1.34 0.00 0.00 175.55 175.92 2kom s ASN 452 N 0.92 6.24 0.12 4.32 2.47 -1.26 -5.01 114.94 122.74 2kom s ASN 452 Ca -0.06 -1.26 -0.31 0.00 0.42 0.00 0.00 52.86 51.64 2kom s ASN 452 Cb -0.08 -2.38 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 2kom s ASN 452 CO -0.06 -1.30 1.47 0.42 -3.72 0.00 0.00 177.10 173.91 2kom s THR 453 N 3.48 3.08 -0.28 -5.21 -4.23 -1.26 -4.96 115.64 106.25 2kom s THR 453 Ca 0.20 0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 61.23 2kom s THR 453 Cb -0.17 -3.48 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 2kom s THR 453 CO 0.06 0.05 0.78 -0.75 -0.54 0.00 0.00 174.62 174.23 2kom s LYS 454 N 1.26 4.06 0.39 3.99 2.20 -1.26 -5.03 119.74 125.36 2kom s LYS 454 Ca 0.67 0.71 0.08 0.00 -0.36 0.00 0.00 55.97 57.07 2kom s LYS 454 Cb -0.39 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2kom s LYS 454 CO 0.30 -0.59 0.33 -1.59 -0.36 0.00 0.00 175.35 173.45 2kom s LYS 455 N 2.86 2.55 -0.50 4.03 -2.85 -1.26 -5.09 119.74 119.48 2kom s LYS 455 Ca 0.33 -1.50 0.04 0.00 -1.00 0.00 0.00 55.97 53.83 2kom s LYS 455 Cb -0.15 -2.36 0.13 0.00 -2.06 0.00 0.00 37.83 33.39 2kom s LYS 455 CO 0.10 -0.11 0.25 -1.50 0.10 0.00 0.00 175.35 174.19 2kom s ILE 456 N -2.44 2.36 0.00 3.79 2.07 -1.26 -5.01 121.20 120.70 2kom s ILE 456 Ca 0.46 -3.16 0.00 0.00 -1.41 0.00 0.00 60.65 56.53 2kom s ILE 456 Cb -0.03 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 39.91 2kom s ILE 456 CO 0.27 -0.81 0.00 0.61 -1.91 0.00 0.00 174.94 173.10 2kom n GLY 457 N 3.21 4.87 3.11 1.50 0.00 -1.26 -4.66 105.19 111.95 2kom n GLY 457 Ca 0.06 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.74 1.90 0.06 1.61 2.47 0.56 -4.79 119.74 116.80 2kom s LYS 458 Ca 0.00 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 53.84 2kom s LYS 458 Cb 0.00 -1.58 -0.04 0.00 -1.46 0.00 0.00 37.83 34.75 2kom s LYS 458 CO 0.00 0.17 0.16 1.03 0.16 0.00 0.00 175.35 176.86 2kom s ARG 459 N 0.27 3.24 0.06 4.03 0.52 -1.26 -0.55 118.95 125.26 2kom s ARG 459 Ca -0.09 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 2kom s ARG 459 Cb -0.14 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 2kom s ARG 459 CO 0.03 0.60 -0.10 -0.51 0.02 0.00 0.00 175.30 175.35 2kom s LEU 460 N -2.38 2.28 -0.21 2.53 2.01 0.71 -4.95 118.68 118.67 2kom s LEU 460 Ca 0.32 -0.60 0.01 0.00 0.01 0.00 0.00 54.13 53.86 2kom s LEU 460 Cb -0.13 -0.29 0.03 0.00 0.01 0.00 0.00 46.19 45.81 2kom s LEU 460 CO 0.24 -0.17 -0.15 0.54 1.01 0.00 0.00 176.35 177.83 2kom s ASN 461 N -1.72 3.68 -0.02 2.29 6.03 -1.26 -0.83 114.94 123.11 2kom s ASN 461 Ca -0.06 -0.81 0.07 0.00 -1.03 0.00 0.00 52.86 51.03 2kom s ASN 461 Cb -0.09 -1.55 -0.02 0.00 -3.03 0.00 0.00 41.25 36.56 2kom s ASN 461 CO 0.01 -0.06 -0.24 -0.63 -2.03 0.00 0.00 177.10 174.15 2kom s ILE 462 N 1.28 1.87 -0.10 0.54 1.01 0.10 -4.96 121.20 120.94 2kom s ILE 462 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.68 2kom s ILE 462 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.78 2kom s ILE 462 CO -0.09 0.53 -0.15 -1.58 0.00 0.00 0.00 174.94 173.64 2kom s GLN 463 N -0.48 2.16 0.16 2.79 0.74 -1.26 0.64 119.66 124.41 2kom s GLN 463 Ca 0.07 -0.55 0.09 0.00 0.05 0.00 0.00 55.36 55.02 2kom s GLN 463 Cb -0.10 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.16 2kom s GLN 463 CO -0.00 -0.03 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.08 2kom s LEU 464 N 0.89 2.92 -0.21 3.68 1.02 0.91 -4.85 118.68 123.04 2kom s LEU 464 Ca -0.09 -0.56 -0.10 0.00 0.02 0.00 0.00 54.13 53.41 2kom s LEU 464 Cb -0.15 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 2kom s LEU 464 CO 0.00 0.13 0.13 -0.54 0.02 0.00 0.00 176.35 176.09 2kom s LYS 465 N -2.62 4.12 -0.14 1.70 3.01 -1.26 0.09 119.74 124.64 2kom s LYS 465 Ca 0.23 -0.25 -0.29 0.00 -1.01 0.00 0.00 55.97 54.65 2kom s LYS 465 Cb -0.09 -3.43 -0.06 0.00 -1.01 0.00 0.00 37.83 33.24 2kom s LYS 465 CO 0.14 0.22 2.14 0.21 0.51 0.00 0.00 175.35 178.57 2kom s LYS 466 N 0.59 3.45 0.00 1.68 2.20 0.36 -4.48 119.74 123.53 2kom s LYS 466 Ca 0.07 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2kom s LYS 466 Cb -0.12 -4.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.89 2kom s LYS 466 CO 0.00 -1.74 0.00 0.41 -0.36 0.00 0.00 175.35 173.66 2kom n GLY 467 N 5.37 1.18 0.24 5.54 0.00 -1.26 -4.91 105.19 111.35 2kom n GLY 467 Ca 0.27 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2kom n GLY 467 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kom h THR 468 N 0.00 0.00 0.05 2.61 2.02 -1.92 -3.32 112.91 112.35 2kom h THR 468 Ca 0.00 -0.06 -0.28 0.00 0.77 0.00 0.00 66.41 66.84 2kom h THR 468 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 2kom h THR 468 CO 0.00 0.00 -1.46 -0.33 0.37 0.00 0.00 175.52 174.10 2kom h GLU 469 N -0.67 0.10 -1.87 6.66 4.39 -1.93 -3.49 114.58 117.78 2kom h GLU 469 Ca -0.06 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2kom h GLU 469 Cb 0.46 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2kom h GLU 469 CO 0.10 0.88 -0.46 0.41 -1.16 0.00 0.00 179.01 178.78 2kom n GLY 470 N 1.55 -3.76 3.32 -3.84 0.00 -1.25 -4.81 105.19 96.40 2kom n GLY 470 Ca -0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.12 -2.88 -3.02 0.99 4.32 -1.26 -3.89 117.00 110.14 2kom n LEU 471 Ca 0.00 0.08 -0.35 0.00 -0.02 0.00 0.00 56.01 55.72 2kom n LEU 471 Cb 0.04 -1.55 -0.01 0.00 -1.62 0.00 0.00 43.42 40.28 2kom n LEU 471 CO 0.00 -0.60 1.76 0.61 -1.22 0.00 0.00 177.39 177.94 2kom n GLY 472 N 0.46 5.11 3.13 -0.72 0.00 -1.26 -4.59 105.19 107.32 2kom n GLY 472 Ca -0.05 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.50 -0.22 0.04 1.61 -0.71 -1.26 -1.07 117.98 113.87 2kom s PHE 473 Ca 0.53 0.52 0.09 0.00 -1.04 0.00 0.00 56.93 57.03 2kom s PHE 473 Cb 0.31 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 2kom s PHE 473 CO -0.22 -0.17 -0.26 -1.12 -1.34 0.00 0.00 175.22 172.12 2kom s SER 474 N -0.18 3.07 0.24 1.98 0.01 0.11 -4.93 113.70 114.00 2kom s SER 474 Ca -0.03 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.74 2kom s SER 474 Cb -0.03 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2kom s SER 474 CO 0.01 0.25 0.08 0.27 0.41 0.00 0.00 173.24 174.26 2kom s ILE 475 N -0.78 3.92 0.13 1.44 -4.36 -1.26 0.23 121.20 120.52 2kom s ILE 475 Ca 0.11 -1.60 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 2kom s ILE 475 Cb -0.10 -3.08 -0.04 0.00 1.25 0.00 0.00 42.46 40.49 2kom s ILE 475 CO 0.02 -0.31 -0.10 0.28 0.24 0.00 0.00 174.94 175.07 2kom s THR 476 N -2.13 1.06 0.03 8.37 -1.32 0.12 -4.58 115.64 117.19 2kom s THR 476 Ca 0.31 -1.97 0.05 0.00 -1.21 0.00 0.00 61.69 58.87 2kom s THR 476 Cb -0.08 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.15 2kom s THR 476 CO 0.22 -0.74 -0.15 -0.94 -2.21 0.00 0.00 174.62 170.80 2kom s SER 477 N -3.03 1.75 0.00 8.08 1.04 -1.26 0.22 113.70 120.50 2kom s SER 477 Ca 0.14 -0.43 0.29 0.00 0.48 0.00 0.00 55.95 56.43 2kom s SER 477 Cb 0.02 -0.13 1.24 0.00 0.10 0.00 0.00 66.02 67.25 2kom s SER 477 CO -0.00 0.07 1.88 0.54 0.98 0.00 0.00 173.24 176.70 2kom n ARG 478 N 2.02 0.48 -0.84 4.02 1.74 -0.93 -4.99 116.66 118.17 2kom n ARG 478 Ca -0.17 -0.13 0.06 0.00 -0.77 0.00 0.00 57.85 56.84 2kom n ARG 478 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 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 -1.15 -4.55 -4.75 0.55 2.03 -1.26 -4.89 116.55 102.54 2kom n ASP 479 Ca 0.13 0.92 -0.40 0.00 0.52 0.00 0.00 54.79 55.95 2kom n ASP 479 Cb 0.28 -2.66 -0.05 0.00 -0.72 0.00 0.00 41.12 37.97 2kom n ASP 479 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kom s VAL 480 N -4.14 4.58 -1.27 5.18 0.11 -1.26 -4.55 120.40 119.06 2kom s VAL 480 Ca 0.00 1.74 0.26 0.00 -2.93 0.00 0.00 61.98 61.05 2kom s VAL 480 Cb 0.00 -4.16 0.16 0.00 -1.53 0.00 0.00 36.38 30.85 2kom s VAL 480 CO 0.00 0.40 1.58 1.07 -3.33 0.00 0.00 175.10 174.82 2kom n THR 481 N 2.46 0.00 0.00 5.04 5.66 -1.26 -4.53 114.28 121.65 2kom n THR 481 Ca -0.02 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2kom n THR 481 Cb 0.50 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2kom n ILE 482 N -1.22 0.00 0.00 1.09 5.41 -1.26 -5.14 119.36 118.24 2kom n ILE 482 Ca 0.09 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2kom n ILE 482 Cb 0.33 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kom n GLY 483 N 3.41 1.71 0.00 7.39 0.00 -1.26 -5.09 105.19 111.35 2kom n GLY 483 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 1.71 3.56 -0.02 0.00 -1.26 -5.01 105.19 104.17 2kom n GLY 484 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2kom n GLY 484 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kom s SER 485 N -4.00 6.51 -0.14 1.61 0.15 -1.25 -4.16 113.70 112.42 2kom s SER 485 Ca 0.00 -1.51 -0.17 0.00 0.70 0.00 0.00 55.95 54.96 2kom s SER 485 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2kom s SER 485 CO 0.00 -1.50 0.45 0.00 1.20 0.00 0.00 173.24 173.39 2kom s ALA 486 N 4.99 3.50 0.17 5.45 0.00 -1.25 -4.43 121.76 130.19 2kom s ALA 486 Ca 0.47 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2kom s ALA 486 Cb 0.00 -2.63 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 2kom s ALA 486 CO -0.09 -0.06 1.16 -1.25 0.00 0.00 0.00 175.76 175.52 2kom s PRO 487 N 0.78 4.52 -0.10 0.00 0.04 -1.26 -4.21 135.00 134.77 2kom s PRO 487 Ca 0.24 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2kom s PRO 487 Cb -0.15 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2kom s PRO 487 CO 0.09 -0.04 -0.05 0.42 0.04 0.00 0.00 177.00 177.46 2kom s ILE 488 N -0.04 3.84 0.06 0.56 -1.09 -1.26 -2.18 121.20 121.09 2kom s ILE 488 Ca 0.52 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2kom s ILE 488 Cb -0.31 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 2kom s ILE 488 CO 0.35 0.57 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.27 2kom s TYR 489 N -0.43 0.65 -0.13 3.97 2.02 0.13 -1.83 117.35 121.74 2kom s TYR 489 Ca 0.07 -0.89 -0.29 0.00 -0.37 0.00 0.00 57.07 55.58 2kom s TYR 489 Cb -0.12 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2kom s TYR 489 CO 0.02 -0.24 1.27 0.08 -1.57 0.00 0.00 175.55 175.12 2kom s VAL 490 N -3.26 4.21 -0.13 0.71 1.01 0.20 0.15 120.40 123.30 2kom s VAL 490 Ca 0.04 1.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 2kom s VAL 490 Cb 0.03 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2kom s VAL 490 CO -0.06 -0.10 -0.03 0.50 0.00 0.00 0.00 175.10 175.41 2kom h LYS 491 N 8.09 0.00 -3.29 2.72 3.64 -0.47 -2.71 116.57 124.55 2kom h LYS 491 Ca -0.29 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 2kom h LYS 491 Cb 1.12 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 2kom h LYS 491 CO 0.95 0.11 -0.41 1.21 -2.27 0.00 0.00 179.45 179.03 2kom s ASN 492 N -5.75 -0.10 -0.35 4.20 3.84 -1.01 -4.62 114.94 111.15 2kom s ASN 492 Ca -0.10 0.03 -0.07 0.00 0.21 0.00 0.00 52.86 52.94 2kom s ASN 492 Cb 0.01 0.30 0.04 0.00 -0.55 0.00 0.00 41.25 41.05 2kom s ASN 492 CO 0.17 -0.33 0.12 -0.63 -2.79 0.00 0.00 177.10 173.64 2kom s ILE 493 N -1.05 3.81 0.76 -5.21 -1.09 -1.26 -0.71 121.20 116.46 2kom s ILE 493 Ca -0.11 -1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 56.99 2kom s ILE 493 Cb -0.06 -3.18 -0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2kom s ILE 493 CO 0.02 -0.21 0.70 0.18 -1.23 0.00 0.00 174.94 174.40 2kom n LEU 494 N 4.81 1.78 0.00 2.97 4.77 -0.24 -4.86 117.00 126.24 2kom n LEU 494 Ca -0.12 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 2kom n LEU 494 Cb 0.44 -1.30 0.63 0.00 -2.33 0.00 0.00 43.42 40.87 2kom n LEU 494 CO 0.32 -2.75 0.85 -0.81 -1.33 0.00 0.00 177.39 173.68 2kom n PRO 495 N -1.45 0.59 0.00 3.23 -0.04 -1.26 -4.73 135.00 131.35 2kom n PRO 495 Ca 0.11 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2kom n PRO 495 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2kom n PRO 495 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kom n ARG 496 N -1.08 0.00 0.00 0.54 1.74 -1.26 -4.89 116.66 111.71 2kom n ARG 496 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2kom n ARG 496 Cb 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 2kom n ARG 496 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kom n GLY 497 N 0.00 -1.70 0.18 -0.13 0.00 -1.26 -4.00 105.19 98.28 2kom n GLY 497 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 1.10 -0.88 4.61 0.00 -1.79 -3.24 119.26 119.07 2kom h ALA 498 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2kom h ALA 498 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2kom h ALA 498 CO 0.00 0.51 0.57 0.00 0.00 0.00 0.00 179.25 180.33 2kom h ALA 499 N 1.59 1.15 0.00 0.00 0.00 -1.81 -1.24 119.26 118.95 2kom h ALA 499 Ca -0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2kom h ALA 499 Cb 0.84 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kom h ALA 499 CO 0.05 0.43 -0.90 0.97 0.00 0.00 0.00 179.25 179.80 2kom h ILE 500 N 1.12 1.58 -0.35 0.00 2.10 -1.70 0.44 117.51 120.69 2kom h ILE 500 Ca 0.35 -3.17 -0.01 0.00 1.08 0.00 0.00 64.86 63.10 2kom h ILE 500 Cb -0.02 2.74 -0.02 0.00 -1.09 0.00 0.00 36.82 38.44 2kom h ILE 500 CO -0.11 0.89 0.17 1.56 -1.08 0.00 0.00 178.15 179.58 2kom h GLN 501 N 0.00 0.51 0.04 2.19 1.08 -1.28 -3.23 115.11 114.41 2kom h GLN 501 Ca -0.01 -0.07 -0.35 0.00 -1.45 0.00 0.00 58.65 56.77 2kom h GLN 501 Cb 1.67 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.96 2kom h GLN 501 CO 0.12 0.46 -2.06 -3.47 -0.95 0.00 0.00 178.83 172.93 2kom n ASP 502 N -4.73 1.30 0.00 1.46 2.03 -0.71 -4.99 116.55 110.90 2kom n ASP 502 Ca -0.01 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2kom n ASP 502 Cb 0.11 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kom n GLY 503 N 1.85 2.71 0.11 0.27 0.00 0.15 -4.84 105.19 105.45 2kom n GLY 503 Ca -0.30 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.47 0.14 -3.55 1.61 1.74 -1.26 -4.65 116.66 110.21 2kom n ARG 504 Ca 0.00 0.43 -0.37 0.00 -0.77 0.00 0.00 57.85 57.14 2kom n ARG 504 Cb 0.00 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 29.55 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kom s LEU 505 N -4.14 4.12 0.16 0.55 2.96 -1.26 -5.07 118.68 116.00 2kom s LEU 505 Ca 0.03 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2kom s LEU 505 Cb 0.08 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2kom s LEU 505 CO 0.32 0.00 -0.00 -1.59 -1.32 0.00 0.00 176.35 173.76 2kom s LYS 506 N 1.20 1.07 0.58 1.98 0.00 -1.26 -4.89 119.74 118.42 2kom s LYS 506 Ca 0.12 -1.51 -0.09 0.00 0.00 0.00 0.00 55.97 54.49 2kom s LYS 506 Cb -0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 37.83 37.43 2kom s LYS 506 CO 0.06 -0.13 0.95 0.00 0.00 0.00 0.00 175.35 176.23 2kom s ALA 507 N -3.68 3.20 -0.07 0.59 0.00 -1.26 -4.45 121.76 116.09 2kom s ALA 507 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2kom s ALA 507 Cb 0.06 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2kom s ALA 507 CO 0.03 -0.60 0.06 0.41 0.00 0.00 0.00 175.76 175.66 2kom n GLY 508 N -2.59 0.55 3.39 0.00 0.00 -1.02 -5.02 105.19 100.50 2kom n GLY 508 Ca 0.04 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.06 1.25 -0.10 1.61 -1.08 -1.26 -4.95 116.67 109.09 2kom s ASP 509 Ca 0.01 -1.61 -0.01 0.00 -0.52 0.00 0.00 52.55 50.42 2kom s ASP 509 Cb -0.00 0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 42.03 2kom s ASP 509 CO 0.04 -1.18 -0.04 -0.60 0.52 0.00 0.00 175.17 173.91 2kom s ARG 510 N -3.26 3.09 -0.23 4.34 3.52 -1.18 -0.63 118.95 124.60 2kom s ARG 510 Ca 0.36 -0.51 -0.22 0.00 -0.13 0.00 0.00 55.73 55.23 2kom s ARG 510 Cb 0.01 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 2kom s ARG 510 CO 0.24 0.54 0.69 -0.51 -0.81 0.00 0.00 175.30 175.45 2kom s LEU 511 N -0.46 4.10 -0.18 -0.88 2.01 -0.76 -1.90 118.68 120.61 2kom s LEU 511 Ca 0.07 0.86 -0.08 0.00 0.01 0.00 0.00 54.13 54.99 2kom s LEU 511 Cb -0.12 -2.97 -0.08 0.00 0.01 0.00 0.00 46.19 43.02 2kom s LEU 511 CO 0.02 -0.38 -0.22 -0.38 1.01 0.00 0.00 176.35 176.40 2kom n ILE 512 N 5.02 1.00 -3.85 -0.59 -0.00 0.67 -4.51 119.36 117.10 2kom n ILE 512 Ca 0.01 -0.27 -0.12 0.00 -0.00 0.00 0.00 62.75 62.37 2kom n ILE 512 Cb 0.49 -1.65 -0.12 0.00 -0.00 0.00 0.00 39.64 38.36 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 -2.34 0.23 -0.10 0.38 -6.30 -1.00 -1.91 118.70 107.67 2kom s GLU 513 Ca -0.25 -0.02 -0.04 0.00 -2.50 0.00 0.00 54.97 52.16 2kom s GLU 513 Cb 0.09 0.10 0.05 0.00 0.00 0.00 0.00 34.13 34.38 2kom s GLU 513 CO 0.33 -0.04 0.21 0.54 0.02 0.00 0.00 175.26 176.32 2kom s VAL 514 N -0.38 -0.26 -1.43 3.70 0.11 -1.02 0.05 120.40 121.17 2kom s VAL 514 Ca -0.05 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2kom s VAL 514 Cb -0.03 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2kom s VAL 514 CO 0.00 0.12 0.00 0.59 -3.33 0.00 0.00 175.10 172.48 2kom n ASN 515 N 5.07 -4.62 0.00 3.54 3.02 0.25 -2.41 115.26 120.11 2kom n ASN 515 Ca -0.10 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 2kom n ASN 515 Cb 0.50 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kom n GLY 516 N -1.21 0.58 3.25 7.41 0.00 -1.26 -4.89 105.19 109.08 2kom n GLY 516 Ca -0.15 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 1.87 -0.08 1.61 1.01 -1.01 -5.10 120.40 116.69 2kom s VAL 517 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 2kom s VAL 517 Cb 0.00 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2kom s VAL 517 CO 0.00 0.53 0.78 -0.62 0.00 0.00 0.00 175.10 175.78 2kom s ASP 518 N -0.37 7.04 -0.23 3.32 2.15 -1.26 -2.42 116.67 124.90 2kom s ASP 518 Ca 0.04 1.26 -0.07 0.00 0.43 0.00 0.00 52.55 54.20 2kom s ASP 518 Cb -0.11 -2.45 -0.18 0.00 -0.30 0.00 0.00 42.92 39.89 2kom s ASP 518 CO 0.01 -0.21 -0.08 0.18 -0.17 0.00 0.00 175.17 174.90 2kom n LEU 519 N 4.18 2.48 -4.56 -1.34 4.77 -0.80 -4.60 117.00 117.13 2kom n LEU 519 Ca 0.01 0.14 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 2kom n LEU 519 Cb 0.51 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2kom n LEU 519 CO 0.48 0.73 1.41 -0.69 -1.33 0.00 0.00 177.39 178.00 2kom s VAL 520 N -2.50 3.54 0.00 4.08 1.01 -1.26 -0.98 120.40 124.28 2kom s VAL 520 Ca -0.33 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2kom s VAL 520 Cb 0.10 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2kom s VAL 520 CO 0.61 -1.20 0.00 0.61 0.00 0.00 0.00 175.10 175.12 2kom n GLY 521 N 6.49 0.82 3.94 4.51 0.00 -1.26 -4.94 105.19 114.77 2kom n GLY 521 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 2.25 0.31 1.61 -2.85 -0.15 -3.89 119.74 117.03 2kom s LYS 522 Ca 0.00 -1.94 -0.01 0.00 -1.00 0.00 0.00 55.97 53.02 2kom s LYS 522 Cb 0.00 -2.24 -0.04 0.00 -2.06 0.00 0.00 37.83 33.49 2kom s LYS 522 CO 0.00 -0.72 0.53 -1.12 0.10 0.00 0.00 175.35 174.14 2kom s SER 523 N -4.40 6.34 0.20 0.03 0.01 -1.26 -3.89 113.70 110.72 2kom s SER 523 Ca 0.41 0.51 -0.12 0.00 1.31 0.00 0.00 55.95 58.06 2kom s SER 523 Cb -0.03 -2.06 0.23 0.00 0.21 0.00 0.00 66.02 64.38 2kom s SER 523 CO 0.26 -0.24 1.71 -0.61 0.41 0.00 0.00 173.24 174.77 2kom h GLN 524 N 1.14 0.24 -0.41 12.44 4.15 -1.93 -2.00 115.11 128.75 2kom h GLN 524 Ca -0.49 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 2kom h GLN 524 Cb 1.21 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2kom h GLN 524 CO 0.63 0.16 0.22 0.93 -1.93 0.00 0.00 178.83 178.84 2kom h GLU 525 N 0.25 0.56 -0.74 1.69 5.08 -1.98 0.87 114.58 120.30 2kom h GLU 525 Ca 0.28 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2kom h GLU 525 Cb 0.39 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2kom h GLU 525 CO -0.36 0.41 0.44 0.93 -1.00 0.00 0.00 179.01 179.43 2kom h GLU 526 N 0.56 1.01 -0.30 2.33 5.08 -1.77 0.04 114.58 121.54 2kom h GLU 526 Ca 0.15 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2kom h GLU 526 Cb 0.02 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2kom h GLU 526 CO -0.02 0.72 -0.51 0.28 -1.00 0.00 0.00 179.01 178.48 2kom h VAL 527 N 1.01 1.28 -0.41 3.13 2.07 -1.00 -1.86 116.25 120.46 2kom h VAL 527 Ca 0.27 -1.69 -0.14 0.00 0.82 0.00 0.00 66.70 65.96 2kom h VAL 527 Cb -0.02 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2kom h VAL 527 CO -0.05 0.55 -0.28 -0.37 0.02 0.00 0.00 177.57 177.44 2kom h VAL 528 N 0.65 1.27 -0.60 2.57 -1.51 -0.58 -1.15 116.25 116.90 2kom h VAL 528 Ca 0.02 -1.44 -0.02 0.00 -1.23 0.00 0.00 66.70 64.04 2kom h VAL 528 Cb 1.11 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.50 2kom h VAL 528 CO 0.11 0.48 0.31 -1.28 -1.23 0.00 0.00 177.57 175.97 2kom h SER 529 N 0.75 0.77 0.15 4.19 0.87 -0.94 0.23 113.55 119.57 2kom h SER 529 Ca 0.09 -0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 2kom h SER 529 Cb 0.84 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2kom h SER 529 CO 0.07 0.67 -0.30 0.17 -0.53 0.00 0.00 176.83 176.91 2kom h LEU 530 N 0.82 0.24 -0.14 2.23 8.10 -1.12 -1.54 115.31 123.91 2kom h LEU 530 Ca 0.21 -0.08 -0.02 0.00 0.11 0.00 0.00 57.88 58.10 2kom h LEU 530 Cb 0.09 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.24 2kom h LEU 530 CO -0.03 0.54 0.02 0.25 -4.11 0.00 0.00 178.44 175.12 2kom h LEU 531 N 0.21 0.22 -1.06 0.17 6.46 -0.50 0.84 115.31 121.65 2kom h LEU 531 Ca 0.03 -0.26 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 2kom h LEU 531 Cb 0.65 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2kom h LEU 531 CO 0.05 0.42 0.17 0.03 -0.62 0.00 0.00 178.44 178.49 2kom h ARG 532 N 0.01 0.85 -0.13 1.25 2.47 -0.18 -2.28 114.38 116.36 2kom h ARG 532 Ca 0.04 -0.16 -0.21 0.00 -1.26 0.00 0.00 59.98 58.40 2kom h ARG 532 Cb 0.30 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2kom h ARG 532 CO 0.00 0.73 -0.72 0.77 0.56 0.00 0.00 179.97 181.31 2kom h SER 533 N 0.82 0.86 -3.82 7.04 0.02 -1.23 -3.50 113.55 113.75 2kom h SER 533 Ca 0.19 -0.64 0.17 0.00 -0.84 0.00 0.00 61.79 60.66 2kom h SER 533 Cb 0.24 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.44 2kom h SER 533 CO -0.01 1.37 -0.71 0.41 -1.14 0.00 0.00 176.83 176.75 2kom n THR 534 N -4.01 -0.74 -2.08 -2.27 -1.04 0.28 -4.77 114.28 99.65 2kom n THR 534 Ca -0.08 0.60 -0.42 0.00 -2.04 0.00 0.00 64.05 62.11 2kom n THR 534 Cb 0.72 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 2kom n THR 534 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2kom s LYS 535 N -3.94 4.26 0.52 -2.82 2.47 -1.26 -4.88 119.74 114.09 2kom s LYS 535 Ca 0.00 2.16 0.35 0.00 -1.56 0.00 0.00 55.97 56.92 2kom s LYS 535 Cb 0.00 -3.43 1.86 0.00 -1.46 0.00 0.00 37.83 34.81 2kom s LYS 535 CO 0.00 -0.58 2.07 0.00 0.16 0.00 0.00 175.35 177.00 2kom h MET 536 N 7.52 0.00 0.00 4.03 -0.00 -1.91 0.51 114.93 125.08 2kom h MET 536 Ca -0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.25 2kom h MET 536 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.79 2kom h MET 536 CO 0.90 0.00 -0.20 1.49 -0.00 0.00 0.00 176.91 179.10 2kom h GLU 537 N 0.00 0.00 0.00 -0.10 4.81 -2.00 -3.47 114.58 113.83 2kom h GLU 537 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kom h GLU 537 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2kom h GLU 537 CO 0.00 0.20 0.00 0.41 -0.73 0.00 0.00 179.01 178.89 2kom n GLY 538 N -0.11 2.67 3.66 1.92 0.00 0.17 -5.03 105.19 108.47 2kom n GLY 538 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2kom n GLY 538 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kom s THR 539 N -2.71 5.20 -0.18 2.61 -4.23 -1.25 -0.49 115.64 114.58 2kom s THR 539 Ca 0.00 0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 2kom s THR 539 Cb 0.00 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2kom s THR 539 CO 0.00 0.23 0.05 -0.69 -0.54 0.00 0.00 174.62 173.67 2kom s VAL 540 N 1.48 4.69 -0.05 2.29 1.01 0.11 -4.63 120.40 125.30 2kom s VAL 540 Ca 0.18 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2kom s VAL 540 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2kom s VAL 540 CO 0.08 0.46 0.50 -0.55 0.00 0.00 0.00 175.10 175.60 2kom s SER 541 N 0.39 6.82 -0.18 3.32 0.15 -1.26 -0.06 113.70 122.88 2kom s SER 541 Ca 0.02 0.97 0.01 0.00 0.70 0.00 0.00 55.95 57.65 2kom s SER 541 Cb -0.13 -2.31 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2kom s SER 541 CO 0.01 0.11 -0.15 -0.76 1.20 0.00 0.00 173.24 173.65 2kom s LEU 542 N -0.05 2.05 -0.25 3.45 2.01 0.21 -0.59 118.68 125.51 2kom s LEU 542 Ca 0.27 -0.68 -0.05 0.00 0.01 0.00 0.00 54.13 53.69 2kom s LEU 542 Cb -0.17 -1.30 -0.00 0.00 0.01 0.00 0.00 46.19 44.74 2kom s LEU 542 CO 0.13 -0.07 0.01 -0.22 1.01 0.00 0.00 176.35 177.22 2kom s LEU 543 N 1.39 3.33 0.27 1.79 0.20 0.11 0.03 118.68 125.79 2kom s LEU 543 Ca 0.03 -0.53 0.11 0.00 0.69 0.00 0.00 54.13 54.43 2kom s LEU 543 Cb -0.14 -1.80 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 2kom s LEU 543 CO -0.10 -0.09 -0.18 0.68 -0.29 0.00 0.00 176.35 176.36 2kom s VAL 544 N 1.49 2.32 -0.15 1.68 -7.23 -0.01 -0.24 120.40 118.26 2kom s VAL 544 Ca 0.04 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.85 2kom s VAL 544 Cb -0.16 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2kom s VAL 544 CO -0.01 -0.42 -0.12 0.12 -0.31 0.00 0.00 175.10 174.36 2kom s PHE 545 N -2.61 2.05 -0.16 2.82 5.36 -0.80 -0.21 117.98 124.44 2kom s PHE 545 Ca 0.29 -1.16 0.02 0.00 -0.96 0.00 0.00 56.93 55.12 2kom s PHE 545 Cb -0.04 -1.52 0.01 0.00 -0.34 0.00 0.00 43.02 41.13 2kom s PHE 545 CO 0.14 -0.65 -0.21 0.50 -1.46 0.00 0.00 175.22 173.54 2kom s ARG 546 N 1.53 3.03 -0.23 10.12 3.52 0.29 -3.09 118.95 134.11 2kom s ARG 546 Ca 0.04 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.52 2kom s ARG 546 Cb -0.13 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 2kom s ARG 546 CO -0.10 -0.08 1.05 -1.14 -0.81 0.00 0.00 175.30 174.22 2kom s GLN 547 N 0.98 4.26 -0.64 5.12 0.74 -1.26 -0.32 119.66 128.54 2kom s GLN 547 Ca -0.03 1.37 -0.27 0.00 0.05 0.00 0.00 55.36 56.48 2kom s GLN 547 Cb -0.15 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.33 2kom s GLN 547 CO -0.06 -0.64 1.47 -1.21 -0.55 0.00 0.00 175.29 174.31 2kom s GLU 548 N 3.22 3.10 0.00 1.67 2.02 -1.26 -4.88 118.70 122.57 2kom s GLU 548 Ca 0.45 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2kom s GLU 548 Cb -0.15 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2kom s GLU 548 CO 0.06 -2.20 0.00 -3.47 0.02 0.00 0.00 175.26 169.67