#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 1.88 -0.18 1.61 0.01 -1.26 -5.11 113.70 110.65 2kom s SER 450 Ca 0.00 -1.66 -0.05 0.00 1.31 0.00 0.00 55.95 55.55 2kom s SER 450 Cb 0.00 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 2kom s SER 450 CO 0.00 -0.30 0.01 -0.31 0.41 0.00 0.00 173.24 173.05 2kom s TYR 451 N 1.46 3.10 -0.58 2.43 1.51 -1.26 -5.05 117.35 118.95 2kom s TYR 451 Ca 0.16 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.98 2kom s TYR 451 Cb -0.17 -2.04 0.15 0.00 -0.11 0.00 0.00 41.96 39.78 2kom s TYR 451 CO -0.07 -0.05 0.38 -0.80 -1.11 0.00 0.00 175.55 173.90 2kom s ASN 452 N 0.60 5.04 -0.22 2.29 0.01 -1.26 -5.02 114.94 116.38 2kom s ASN 452 Ca -0.00 -2.82 0.02 0.00 -0.71 0.00 0.00 52.86 49.35 2kom s ASN 452 Cb -0.14 -1.80 0.04 0.00 0.41 0.00 0.00 41.25 39.76 2kom s ASN 452 CO 0.02 -0.35 -0.13 -0.89 -1.51 0.00 0.00 177.10 174.24 2kom s THR 453 N -0.01 1.97 -0.44 1.60 2.01 -1.26 -5.07 115.64 114.45 2kom s THR 453 Ca 0.16 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.63 2kom s THR 453 Cb -0.21 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2kom s THR 453 CO -0.03 0.18 1.84 -0.75 -0.69 0.00 0.00 174.62 175.18 2kom s LYS 454 N 1.24 3.02 -0.35 4.92 2.20 -1.26 -4.94 119.74 124.57 2kom s LYS 454 Ca -0.03 1.12 -0.14 0.00 -0.36 0.00 0.00 55.97 56.56 2kom s LYS 454 Cb -0.17 -4.28 -0.01 0.00 -1.51 0.00 0.00 37.83 31.86 2kom s LYS 454 CO -0.08 -2.24 0.29 0.21 -0.36 0.00 0.00 175.35 173.17 2kom s LYS 455 N 6.28 3.43 0.00 4.03 2.36 -1.26 -4.71 119.74 129.87 2kom s LYS 455 Ca 0.76 -0.64 0.00 0.00 -2.55 0.00 0.00 55.97 53.54 2kom s LYS 455 Cb -0.18 -3.84 0.00 0.00 -1.05 0.00 0.00 37.83 32.76 2kom s LYS 455 CO 0.29 -0.52 0.09 0.44 1.55 0.00 0.00 175.35 177.19 2kom n ILE 456 N 5.16 0.01 0.00 5.43 -0.00 -1.26 -5.04 119.36 123.65 2kom n ILE 456 Ca -0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.61 2kom n ILE 456 Cb 0.49 1.82 0.00 0.00 -0.00 0.00 0.00 39.64 41.95 2kom n ILE 456 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2kom n GLY 457 N -0.00 1.76 3.31 3.28 0.00 -1.25 -2.69 105.19 109.59 2kom n GLY 457 Ca 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.73 1.25 -0.15 1.61 1.02 0.16 -4.84 119.74 117.07 2kom s LYS 458 Ca 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 2kom s LYS 458 Cb 0.00 -0.67 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 2kom s LYS 458 CO 0.00 -0.02 -0.02 1.03 -0.92 0.00 0.00 175.35 175.43 2kom s ARG 459 N -3.81 3.60 -0.07 1.68 0.52 -1.25 -0.63 118.95 118.99 2kom s ARG 459 Ca 0.24 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 2kom s ARG 459 Cb 0.04 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 2kom s ARG 459 CO 0.06 0.33 -0.23 -0.51 0.02 0.00 0.00 175.30 174.96 2kom s LEU 460 N 0.15 2.04 -0.35 2.53 2.01 0.97 -4.91 118.68 121.13 2kom s LEU 460 Ca -0.00 -0.50 -0.18 0.00 0.01 0.00 0.00 54.13 53.45 2kom s LEU 460 Cb -0.13 -1.32 -0.00 0.00 0.01 0.00 0.00 46.19 44.74 2kom s LEU 460 CO 0.02 0.20 0.53 0.54 1.01 0.00 0.00 176.35 178.66 2kom s ASN 461 N 0.06 6.34 -0.15 2.29 2.20 -1.26 -0.96 114.94 123.46 2kom s ASN 461 Ca -0.09 0.04 0.02 0.00 -0.94 0.00 0.00 52.86 51.88 2kom s ASN 461 Cb -0.15 -2.28 0.02 0.00 -2.00 0.00 0.00 41.25 36.84 2kom s ASN 461 CO 0.05 -0.49 -0.19 -0.63 -2.94 0.00 0.00 177.10 172.91 2kom s ILE 462 N 2.44 1.87 -0.19 0.54 1.01 0.13 -4.95 121.20 122.05 2kom s ILE 462 Ca 0.20 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 2kom s ILE 462 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2kom s ILE 462 CO 0.13 0.51 0.09 -1.10 0.00 0.00 0.00 174.94 174.57 2kom s GLN 463 N 1.11 4.03 -0.08 2.79 -0.21 -1.26 0.69 119.66 126.74 2kom s GLN 463 Ca -0.01 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.09 2kom s GLN 463 Cb -0.14 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2kom s GLN 463 CO -0.07 0.25 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.69 2kom s LEU 464 N 0.46 2.62 -0.13 2.90 2.01 0.43 -4.90 118.68 122.08 2kom s LEU 464 Ca 0.05 -0.30 -0.09 0.00 0.01 0.00 0.00 54.13 53.80 2kom s LEU 464 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 46.19 44.49 2kom s LEU 464 CO 0.00 0.26 0.18 -0.54 1.01 0.00 0.00 176.35 177.27 2kom s LYS 465 N -0.24 3.72 -0.33 1.70 3.01 -1.26 -0.24 119.74 126.10 2kom s LYS 465 Ca 0.01 -0.07 -0.27 0.00 -1.01 0.00 0.00 55.97 54.63 2kom s LYS 465 Cb -0.13 -3.26 -0.06 0.00 -1.01 0.00 0.00 37.83 33.37 2kom s LYS 465 CO 0.03 0.62 2.30 1.17 0.51 0.00 0.00 175.35 179.99 2kom n LYS 466 N 2.42 1.58 0.00 1.68 4.81 0.98 -4.70 118.16 124.93 2kom n LYS 466 Ca -0.18 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2kom n LYS 466 Cb 0.54 -3.31 0.00 0.00 0.02 0.00 0.00 35.03 32.28 2kom n LYS 466 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kom n GLY 467 N 5.89 1.42 0.14 3.14 0.00 -1.26 -4.84 105.19 109.68 2kom n GLY 467 Ca 0.33 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2kom n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h THR 468 N 0.00 1.25 -3.13 2.61 1.03 -1.92 -3.30 112.91 109.45 2kom h THR 468 Ca 0.00 -0.84 -0.62 0.00 -0.01 0.00 0.00 66.41 64.94 2kom h THR 468 Cb 0.00 1.37 -0.41 0.00 -1.07 0.00 0.00 68.15 68.04 2kom h THR 468 CO 0.00 0.26 -0.62 -1.61 -0.01 0.00 0.00 175.52 173.54 2kom s GLU 469 N -5.05 2.19 0.39 0.00 2.02 -1.26 -5.06 118.70 111.94 2kom s GLU 469 Ca -0.14 -3.02 -0.27 0.00 0.02 0.00 0.00 54.97 51.56 2kom s GLU 469 Cb 0.07 -3.24 -0.11 0.00 0.10 0.00 0.00 34.13 30.96 2kom s GLU 469 CO 0.73 -1.24 1.41 0.41 0.02 0.00 0.00 175.26 176.60 2kom n GLY 470 N 2.41 0.96 2.80 -1.39 0.00 -1.24 -0.63 105.19 108.09 2kom n GLY 470 Ca 0.16 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 0.35 -7.46 -3.30 0.99 4.77 -1.26 -4.65 117.00 106.44 2kom n LEU 471 Ca 0.03 1.23 -0.38 0.00 -0.03 0.00 0.00 56.01 56.86 2kom n LEU 471 Cb 0.39 -3.14 0.02 0.00 -2.33 0.00 0.00 43.42 38.36 2kom n LEU 471 CO 0.62 -2.92 1.25 0.61 -1.33 0.00 0.00 177.39 175.62 2kom n GLY 472 N 0.69 5.91 3.08 -0.72 0.00 -1.26 -4.63 105.19 108.26 2kom n GLY 472 Ca 0.01 -2.59 -0.12 0.00 0.00 0.00 0.00 46.02 43.32 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 -4.13 -0.08 0.12 1.61 -0.71 -1.26 -0.46 117.98 113.07 2kom s PHE 473 Ca 0.44 0.17 0.10 0.00 -1.04 0.00 0.00 56.93 56.61 2kom s PHE 473 Cb 0.28 0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 2kom s PHE 473 CO -0.21 -0.19 -0.26 -1.12 -1.34 0.00 0.00 175.22 172.10 2kom s SER 474 N -0.62 3.17 0.18 1.98 0.01 0.46 -4.94 113.70 113.95 2kom s SER 474 Ca -0.07 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.53 2kom s SER 474 Cb -0.04 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2kom s SER 474 CO 0.01 0.16 0.03 0.27 0.41 0.00 0.00 173.24 174.13 2kom s ILE 475 N -1.06 3.87 0.17 1.44 -4.36 -1.26 0.54 121.20 120.55 2kom s ILE 475 Ca 0.13 -1.39 0.06 0.00 -0.26 0.00 0.00 60.65 59.18 2kom s ILE 475 Cb -0.10 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.60 2kom s ILE 475 CO 0.05 -0.14 -0.12 0.28 0.24 0.00 0.00 174.94 175.25 2kom s THR 476 N -1.79 1.44 -0.02 8.37 -1.32 0.13 -4.63 115.64 117.82 2kom s THR 476 Ca 0.29 -2.12 0.03 0.00 -1.21 0.00 0.00 61.69 58.67 2kom s THR 476 Cb -0.09 -1.93 -0.00 0.00 -1.51 0.00 0.00 72.50 68.97 2kom s THR 476 CO 0.20 -0.67 -0.11 -0.94 -2.21 0.00 0.00 174.62 170.89 2kom s SER 477 N -3.22 1.38 0.00 8.08 1.04 -1.26 0.17 113.70 119.89 2kom s SER 477 Ca 0.19 -0.22 0.26 0.00 0.48 0.00 0.00 55.95 56.67 2kom s SER 477 Cb 0.01 -0.32 0.74 0.00 0.10 0.00 0.00 66.02 66.55 2kom s SER 477 CO 0.04 0.09 1.56 0.54 0.98 0.00 0.00 173.24 176.45 2kom n ARG 478 N 3.16 1.27 -0.78 4.02 5.12 -1.10 -5.01 116.66 123.33 2kom n ARG 478 Ca -0.17 -0.81 0.00 0.00 -1.93 0.00 0.00 57.85 54.94 2kom n ARG 478 Cb 0.54 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 2kom n ARG 478 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kom n ASP 479 N -0.16 -4.27 -0.37 0.55 2.03 -1.26 -4.70 116.55 108.37 2kom n ASP 479 Ca 0.14 0.90 0.10 0.00 0.52 0.00 0.00 54.79 56.45 2kom n ASP 479 Cb 0.38 -2.00 0.44 0.00 -0.72 0.00 0.00 41.12 39.22 2kom n ASP 479 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kom n VAL 480 N -1.93 0.13 -2.56 5.18 3.14 -1.26 -4.62 118.33 116.42 2kom n VAL 480 Ca 0.00 -0.23 -0.03 0.00 -2.96 0.00 0.00 64.34 61.12 2kom n VAL 480 Cb 0.21 0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 2kom n VAL 480 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kom n THR 481 N -0.05-10.05 -2.05 1.55 -2.24 -1.26 -4.76 114.28 95.42 2kom n THR 481 Ca 0.16 1.20 -0.01 0.00 -2.27 0.00 0.00 64.05 63.12 2kom n THR 481 Cb 0.24 -6.59 0.00 0.00 -2.10 0.00 0.00 70.33 61.89 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2kom n ILE 482 N 0.19 -6.26 -2.49 2.28 5.41 -1.26 -5.05 119.36 112.18 2kom n ILE 482 Ca 0.04 0.66 0.00 0.00 1.00 0.00 0.00 62.75 64.45 2kom n ILE 482 Cb 0.17 -5.35 0.00 0.00 -0.71 0.00 0.00 39.64 33.75 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 0.04 -0.50 2.52 7.39 0.00 -1.26 -5.17 105.19 108.20 2kom n GLY 483 Ca 0.02 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 3.27 5.00 -0.02 0.00 -1.26 -4.87 105.19 107.31 2kom n GLY 484 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2kom n GLY 484 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kom n SER 485 N -1.86 0.00 -0.88 1.61 7.64 -1.26 -4.71 113.62 114.15 2kom n SER 485 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2kom n SER 485 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kom n ALA 486 N 0.00 -1.43 -2.04 -0.43 0.00 -1.26 -4.30 120.51 111.05 2kom n ALA 486 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 2kom n ALA 486 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2kom n ALA 486 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kom s PRO 487 N -4.76 4.50 -0.14 0.00 0.04 -1.26 -4.65 135.00 128.73 2kom s PRO 487 Ca 0.00 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 2kom s PRO 487 Cb 0.00 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2kom s PRO 487 CO 0.00 -0.08 0.09 0.42 0.04 0.00 0.00 177.00 177.47 2kom s ILE 488 N -0.12 5.02 0.15 0.56 -1.09 -1.26 -2.72 121.20 121.74 2kom s ILE 488 Ca 0.52 0.04 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 2kom s ILE 488 Cb -0.33 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2kom s ILE 488 CO 0.37 0.55 -0.03 -0.31 -1.23 0.00 0.00 174.94 174.29 2kom s TYR 489 N -0.46 1.11 -0.17 3.97 2.02 0.13 -1.76 117.35 122.18 2kom s TYR 489 Ca 0.11 -0.96 -0.27 0.00 -0.37 0.00 0.00 57.07 55.58 2kom s TYR 489 Cb -0.12 -0.63 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 2kom s TYR 489 CO 0.02 -0.16 0.93 0.08 -1.57 0.00 0.00 175.55 174.85 2kom s VAL 490 N -3.61 4.80 -0.17 0.71 1.01 -0.30 0.20 120.40 123.03 2kom s VAL 490 Ca 0.19 1.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 2kom s VAL 490 Cb 0.05 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 2kom s VAL 490 CO 0.01 -0.04 0.01 0.50 0.00 0.00 0.00 175.10 175.58 2kom h LYS 491 N 7.33 0.00 -3.39 2.72 3.64 -0.16 -3.17 116.57 123.54 2kom h LYS 491 Ca -0.27 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 2kom h LYS 491 Cb 1.11 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 2kom h LYS 491 CO 0.88 0.47 -0.41 1.21 -2.27 0.00 0.00 179.45 179.33 2kom s ASN 492 N -6.26 -0.03 -0.32 4.20 3.84 -1.02 -4.81 114.94 110.55 2kom s ASN 492 Ca -0.21 -0.16 -0.05 0.00 0.21 0.00 0.00 52.86 52.65 2kom s ASN 492 Cb 0.04 0.25 0.04 0.00 -0.55 0.00 0.00 41.25 41.03 2kom s ASN 492 CO 0.39 -0.43 0.06 -0.63 -2.79 0.00 0.00 177.10 173.70 2kom s ILE 493 N -1.63 3.53 0.07 -5.21 -1.09 -1.26 -0.40 121.20 115.21 2kom s ILE 493 Ca -0.12 -1.13 -0.31 0.00 -2.23 0.00 0.00 60.65 56.86 2kom s ILE 493 Cb -0.06 -2.97 -0.09 0.00 -1.58 0.00 0.00 42.46 37.77 2kom s ILE 493 CO 0.01 -0.10 1.79 -0.76 -1.23 0.00 0.00 174.94 174.66 2kom s LEU 494 N 1.37 4.39 0.00 2.97 2.01 0.39 -4.84 118.68 124.96 2kom s LEU 494 Ca -0.02 2.61 0.00 0.00 0.01 0.00 0.00 54.13 56.73 2kom s LEU 494 Cb -0.19 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.46 2kom s LEU 494 CO 0.01 -0.98 0.27 -0.81 1.01 0.00 0.00 176.35 175.86 2kom n PRO 495 N 6.21 0.45 0.00 1.29 -0.04 -1.26 -2.00 135.00 139.65 2kom n PRO 495 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kom n PRO 495 Cb 0.40 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.38 0.00 -0.18 0.54 1.85 -1.26 -4.98 116.66 113.01 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 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.55 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 -0.37 0.35 2.89 0.00 -0.85 -4.30 105.19 102.91 2kom n GLY 497 Ca 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.50 1.86 -0.58 4.61 0.00 -1.13 -2.57 119.26 119.95 2kom h ALA 498 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kom h ALA 498 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2kom h ALA 498 CO 0.00 0.02 0.33 0.00 0.00 0.00 0.00 179.25 179.60 2kom h ALA 499 N 1.67 0.76 0.03 0.00 0.00 -1.86 0.30 119.26 120.16 2kom h ALA 499 Ca 0.28 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 2kom h ALA 499 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kom h ALA 499 CO -0.09 0.02 -1.01 0.97 0.00 0.00 0.00 179.25 179.14 2kom h ILE 500 N 0.63 1.63 -0.58 0.00 2.10 -1.70 0.40 117.51 120.00 2kom h ILE 500 Ca 0.25 -3.18 -0.02 0.00 1.08 0.00 0.00 64.86 62.99 2kom h ILE 500 Cb 0.10 2.78 -0.03 0.00 -1.09 0.00 0.00 36.82 38.58 2kom h ILE 500 CO -0.14 0.91 0.28 1.56 -1.08 0.00 0.00 178.15 179.68 2kom h GLN 501 N 0.03 0.83 0.19 2.19 1.08 -0.91 -2.73 115.11 115.79 2kom h GLN 501 Ca -0.04 -0.12 -0.30 0.00 -1.45 0.00 0.00 58.65 56.74 2kom h GLN 501 Cb 1.73 -0.15 0.02 0.00 -0.05 0.00 0.00 27.48 29.03 2kom h GLN 501 CO 0.14 0.68 -1.42 0.22 -0.95 0.00 0.00 178.83 177.50 2kom h ASP 502 N 0.78 0.62 0.00 1.46 3.58 -1.05 -3.48 116.42 118.34 2kom h ASP 502 Ca 0.20 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.73 2kom h ASP 502 Cb 0.12 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kom h ASP 502 CO -0.02 1.66 0.00 0.61 -2.88 0.00 0.00 179.24 178.60 2kom n GLY 503 N 1.76 1.84 0.15 -0.78 0.00 0.14 -4.86 105.19 103.43 2kom n GLY 503 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2kom n GLY 503 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kom h ARG 504 N 2.80 0.00 -5.29 1.61 2.43 -1.88 -3.45 114.38 110.60 2kom h ARG 504 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 2kom h ARG 504 Cb 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 2kom h ARG 504 CO 0.00 0.00 -0.51 -1.17 -1.51 0.00 0.00 179.97 176.78 2kom s LEU 505 N -5.49 4.09 0.28 3.80 2.96 -1.26 -5.09 118.68 117.98 2kom s LEU 505 Ca 0.03 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 2kom s LEU 505 Cb 0.09 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2kom s LEU 505 CO 0.73 0.19 0.12 -1.59 -1.32 0.00 0.00 176.35 174.48 2kom s LYS 506 N 0.29 1.49 -0.16 1.98 0.00 -1.26 -4.65 119.74 117.43 2kom s LYS 506 Ca 0.07 -1.83 -0.13 0.00 0.00 0.00 0.00 55.97 54.08 2kom s LYS 506 Cb -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 37.83 37.46 2kom s LYS 506 CO -0.01 -0.36 0.27 0.00 0.00 0.00 0.00 175.35 175.25 2kom s ALA 507 N -3.69 3.62 0.00 0.59 0.00 -1.26 -4.38 121.76 116.64 2kom s ALA 507 Ca 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2kom s ALA 507 Cb 0.07 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2kom s ALA 507 CO 0.15 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2kom n GLY 508 N 3.30 0.96 3.98 0.00 0.00 -1.20 -5.02 105.19 107.21 2kom n GLY 508 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 2kom n GLY 508 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kom s ASP 509 N 0.00 5.05 -0.02 1.61 1.01 -1.26 -4.86 116.67 118.19 2kom s ASP 509 Ca 0.00 -0.14 -0.14 0.00 0.71 0.00 0.00 52.55 52.98 2kom s ASP 509 Cb 0.00 -0.61 -0.05 0.00 1.01 0.00 0.00 42.92 43.27 2kom s ASP 509 CO 0.00 -1.32 0.39 -0.60 0.21 0.00 0.00 175.17 173.85 2kom s ARG 510 N -4.85 3.94 -0.13 8.23 3.52 -0.78 -1.15 118.95 127.72 2kom s ARG 510 Ca 0.60 0.37 -0.20 0.00 -0.13 0.00 0.00 55.73 56.36 2kom s ARG 510 Cb -0.09 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2kom s ARG 510 CO 0.40 0.64 0.58 -1.17 -0.81 0.00 0.00 175.30 174.93 2kom s LEU 511 N -0.87 4.24 -0.25 -0.88 1.98 -0.72 -0.05 118.68 122.14 2kom s LEU 511 Ca 0.23 0.91 -0.17 0.00 -2.89 0.00 0.00 54.13 52.21 2kom s LEU 511 Cb -0.16 -2.85 -0.14 0.00 0.66 0.00 0.00 46.19 43.70 2kom s LEU 511 CO 0.12 -0.11 -0.15 -0.38 -1.89 0.00 0.00 176.35 173.94 2kom n ILE 512 N 4.02 1.53 -3.61 6.68 2.08 0.14 -4.53 119.36 125.66 2kom n ILE 512 Ca -0.04 -0.22 -0.16 0.00 0.56 0.00 0.00 62.75 62.90 2kom n ILE 512 Cb 0.51 -1.97 -0.07 0.00 -0.75 0.00 0.00 39.64 37.35 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 -2.47 0.87 -0.07 0.38 -1.05 -1.19 -3.20 118.70 111.97 2kom s GLU 513 Ca -0.34 0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.97 2kom s GLU 513 Cb 0.11 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 2kom s GLU 513 CO 0.51 -0.21 -0.16 0.54 0.95 0.00 0.00 175.26 176.90 2kom s VAL 514 N -0.56 1.42 -2.00 1.83 0.11 -0.82 -0.33 120.40 120.04 2kom s VAL 514 Ca -0.07 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2kom s VAL 514 Cb -0.03 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 2kom s VAL 514 CO 0.05 0.42 0.00 -3.20 -3.33 0.00 0.00 175.10 169.04 2kom n ASN 515 N 3.68 -5.27 0.00 3.54 2.85 0.24 -1.63 115.26 118.67 2kom n ASN 515 Ca -0.21 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2kom n ASN 515 Cb 0.52 -4.43 0.00 0.00 1.24 0.00 0.00 39.78 37.11 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 -0.66 0.67 3.57 8.20 0.00 -1.26 -4.87 105.19 110.84 2kom n GLY 516 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.36 3.77 0.32 1.61 1.01 -0.64 -5.10 120.40 119.01 2kom s VAL 517 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 2kom s VAL 517 Cb 0.00 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2kom s VAL 517 CO 0.00 0.58 0.78 -0.62 0.00 0.00 0.00 175.10 175.85 2kom s ASP 518 N -0.61 6.91 -0.21 3.32 2.15 -1.26 -1.95 116.67 125.03 2kom s ASP 518 Ca 0.09 1.43 -0.20 0.00 0.43 0.00 0.00 52.55 54.30 2kom s ASP 518 Cb -0.12 -2.43 -0.17 0.00 -0.30 0.00 0.00 42.92 39.90 2kom s ASP 518 CO 0.02 -0.16 0.14 0.18 -0.17 0.00 0.00 175.17 175.18 2kom n LEU 519 N -0.08 1.86 -4.57 -1.34 4.77 -1.19 -4.59 117.00 111.86 2kom n LEU 519 Ca 0.03 0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 56.12 2kom n LEU 519 Cb 0.53 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.62 2kom n LEU 519 CO 0.41 0.22 1.49 -0.69 -1.33 0.00 0.00 177.39 177.49 2kom s VAL 520 N -2.36 3.65 0.00 4.08 1.01 -1.26 -0.86 120.40 124.66 2kom s VAL 520 Ca -0.28 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2kom s VAL 520 Cb 0.06 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2kom s VAL 520 CO 0.55 -1.29 0.00 0.61 0.00 0.00 0.00 175.10 174.97 2kom n GLY 521 N 6.42 0.15 3.71 4.51 0.00 -1.26 -5.07 105.19 113.64 2kom n GLY 521 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 2.11 0.49 1.61 -2.85 -0.04 -4.93 119.74 116.13 2kom s LYS 522 Ca 0.00 -2.10 -0.01 0.00 -1.00 0.00 0.00 55.97 52.87 2kom s LYS 522 Cb 0.00 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 2kom s LYS 522 CO 0.00 -0.18 0.73 -1.12 0.10 0.00 0.00 175.35 174.88 2kom s SER 523 N -3.84 5.72 0.22 0.03 0.01 -1.26 -4.44 113.70 110.14 2kom s SER 523 Ca 0.30 0.33 -0.08 0.00 1.31 0.00 0.00 55.95 57.81 2kom s SER 523 Cb 0.06 -1.49 0.31 0.00 0.21 0.00 0.00 66.02 65.11 2kom s SER 523 CO 0.16 -0.82 1.76 -0.61 0.41 0.00 0.00 173.24 174.13 2kom h GLN 524 N 0.25 0.47 -0.14 12.44 4.15 -1.93 -0.77 115.11 129.58 2kom h GLN 524 Ca -0.46 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 58.92 2kom h GLN 524 Cb 1.26 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2kom h GLN 524 CO 0.57 0.31 0.01 0.93 -1.93 0.00 0.00 178.83 178.72 2kom h GLU 525 N 0.48 0.20 -0.11 1.69 5.08 -1.97 0.21 114.58 120.16 2kom h GLU 525 Ca 0.33 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2kom h GLU 525 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kom h GLU 525 CO -0.30 0.21 -0.59 0.93 -1.00 0.00 0.00 179.01 178.26 2kom h GLU 526 N 0.20 0.35 -0.28 2.33 5.08 -1.55 -1.12 114.58 119.58 2kom h GLU 526 Ca 0.05 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 2kom h GLU 526 Cb 0.12 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kom h GLU 526 CO 0.00 0.84 -0.47 0.28 -1.00 0.00 0.00 179.01 178.66 2kom h VAL 527 N 0.26 1.29 -0.27 3.13 2.07 -0.40 -1.80 116.25 120.54 2kom h VAL 527 Ca -0.00 -1.66 -0.14 0.00 0.82 0.00 0.00 66.70 65.71 2kom h VAL 527 Cb 1.11 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2kom h VAL 527 CO 0.10 0.54 -0.40 -0.37 0.02 0.00 0.00 177.57 177.45 2kom h VAL 528 N 0.60 1.29 -0.61 2.57 -1.51 -0.47 0.87 116.25 118.99 2kom h VAL 528 Ca 0.03 -1.57 0.02 0.00 -1.23 0.00 0.00 66.70 63.95 2kom h VAL 528 Cb 1.04 1.52 -0.04 0.00 -2.13 0.00 0.00 31.29 31.69 2kom h VAL 528 CO 0.10 0.50 0.39 -1.28 -1.23 0.00 0.00 177.57 176.05 2kom h SER 529 N 0.52 0.65 -0.83 4.19 0.87 -1.12 0.55 113.55 118.39 2kom h SER 529 Ca 0.04 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2kom h SER 529 Cb 0.92 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 2kom h SER 529 CO 0.08 0.46 0.53 0.25 -0.53 0.00 0.00 176.83 177.63 2kom h LEU 530 N 0.78 0.89 -0.14 2.23 5.85 -0.89 -1.64 115.31 122.40 2kom h LEU 530 Ca 0.24 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2kom h LEU 530 Cb -0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2kom h LEU 530 CO -0.08 0.62 0.03 0.25 -0.34 0.00 0.00 178.44 178.91 2kom h LEU 531 N 1.04 0.21 -1.75 2.25 6.46 0.12 -3.15 115.31 120.49 2kom h LEU 531 Ca 0.33 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2kom h LEU 531 Cb -0.01 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2kom h LEU 531 CO -0.11 0.41 -0.01 0.03 -0.62 0.00 0.00 178.44 178.14 2kom h ARG 532 N 0.01 0.14 -0.37 1.25 3.08 0.61 -0.88 114.38 118.22 2kom h ARG 532 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2kom h ARG 532 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2kom h ARG 532 CO 0.00 0.16 0.04 1.03 -1.07 0.00 0.00 179.97 180.14 2kom h SER 533 N 0.14 0.60 0.00 7.04 0.87 -1.31 -3.46 113.55 117.44 2kom h SER 533 Ca 0.04 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2kom h SER 533 Cb 0.11 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2kom h SER 533 CO 0.00 0.73 0.00 0.41 -0.53 0.00 0.00 176.83 177.44 2kom n THR 534 N -4.53 0.00 -0.82 2.23 -1.04 -0.34 -4.66 114.28 105.11 2kom n THR 534 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2kom n THR 534 Cb 0.24 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.00 -2.24 0.10 -2.82 4.81 -1.26 -3.75 118.16 111.00 2kom n LYS 535 Ca 0.00 1.71 0.03 0.00 -0.87 0.00 0.00 58.31 59.18 2kom n LYS 535 Cb 0.00 -2.05 0.41 0.00 0.02 0.00 0.00 35.03 33.40 2kom n LYS 535 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kom h MET 536 N 0.38 0.28 0.00 1.64 1.85 -1.94 -1.80 114.93 115.34 2kom h MET 536 Ca 0.00 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 58.88 2kom h MET 536 Cb 0.32 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 2kom h MET 536 CO 0.00 0.36 -0.75 1.05 -0.40 0.00 0.00 176.91 177.16 2kom h GLU 537 N 0.28 0.00 -0.00 0.39 9.09 -1.98 -3.47 114.58 118.88 2kom h GLU 537 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 2kom h GLU 537 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2kom h GLU 537 CO 0.01 0.75 0.00 0.41 0.05 0.00 0.00 179.01 180.23 2kom n GLY 538 N 1.06 1.89 3.05 1.06 0.00 -0.68 -4.92 105.19 106.66 2kom n GLY 538 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.15 -0.07 2.61 2.01 -1.25 -0.01 115.64 118.09 2kom s THR 539 Ca 0.00 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2kom s THR 539 Cb 0.00 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2kom s THR 539 CO 0.00 0.35 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.34 2kom s VAL 540 N 0.43 2.05 -0.36 3.82 1.01 0.66 -4.81 120.40 123.21 2kom s VAL 540 Ca -0.10 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 2kom s VAL 540 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2kom s VAL 540 CO 0.03 0.57 0.60 -0.44 0.00 0.00 0.00 175.10 175.85 2kom s SER 541 N -0.07 6.39 -0.25 3.32 0.01 -1.26 -0.43 113.70 121.41 2kom s SER 541 Ca -0.06 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 2kom s SER 541 Cb -0.15 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2kom s SER 541 CO 0.05 -0.57 0.10 -0.76 0.41 0.00 0.00 173.24 172.47 2kom s LEU 542 N 2.62 3.66 -0.28 2.44 2.01 0.22 0.82 118.68 130.16 2kom s LEU 542 Ca 0.23 -0.11 -0.09 0.00 0.01 0.00 0.00 54.13 54.16 2kom s LEU 542 Cb -0.15 -1.99 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 2kom s LEU 542 CO 0.15 -0.01 0.12 -0.22 1.01 0.00 0.00 176.35 177.40 2kom s LEU 543 N 1.50 3.83 0.09 1.79 2.96 0.55 0.21 118.68 129.61 2kom s LEU 543 Ca 0.06 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2kom s LEU 543 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2kom s LEU 543 CO 0.05 -0.11 -0.16 0.68 -1.32 0.00 0.00 176.35 175.49 2kom s VAL 544 N 1.63 2.97 -0.20 1.68 -7.23 -0.14 0.23 120.40 119.35 2kom s VAL 544 Ca 0.06 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2kom s VAL 544 Cb -0.16 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2kom s VAL 544 CO 0.06 0.18 -0.05 0.12 -0.31 0.00 0.00 175.10 175.09 2kom s PHE 545 N -1.10 2.94 -0.13 2.82 5.36 0.93 -0.02 117.98 128.79 2kom s PHE 545 Ca 0.18 -0.84 0.02 0.00 -0.96 0.00 0.00 56.93 55.33 2kom s PHE 545 Cb -0.11 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.53 2kom s PHE 545 CO 0.09 -0.45 -0.19 0.50 -1.46 0.00 0.00 175.22 173.71 2kom s ARG 546 N 1.22 2.69 0.10 10.12 3.52 0.19 -1.87 118.95 134.92 2kom s ARG 546 Ca 0.03 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 2kom s ARG 546 Cb -0.14 -2.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 2kom s ARG 546 CO -0.02 -0.05 0.99 1.14 -0.81 0.00 0.00 175.30 176.56 2kom s GLN 547 N 0.92 4.65 -0.05 5.12 -2.07 -1.26 -0.67 119.66 126.30 2kom s GLN 547 Ca -0.06 1.49 0.01 0.00 -1.82 0.00 0.00 55.36 54.98 2kom s GLN 547 Cb -0.15 -3.38 0.02 0.00 -1.09 0.00 0.00 33.01 28.41 2kom s GLN 547 CO -0.03 0.13 -0.04 -2.00 -1.32 0.00 0.00 175.29 172.03 2kom s GLU 548 N 0.19 0.82 0.00 9.60 2.12 -1.10 -4.88 118.70 125.46 2kom s GLU 548 Ca 0.49 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2kom s GLU 548 Cb -0.24 -0.89 0.00 0.00 0.26 0.00 0.00 34.13 33.26 2kom s GLU 548 CO 0.30 -0.12 0.20 -3.47 -0.54 0.00 0.00 175.26 171.63