#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 6.19 -0.30 1.61 1.04 -1.26 -4.89 113.70 116.08 2kom s SER 450 Ca 0.00 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 2kom s SER 450 Cb 0.00 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.76 2kom s SER 450 CO 0.00 -1.76 0.68 -0.47 0.98 0.00 0.00 173.24 172.67 2kom s TYR 451 N 5.49 -1.43 -0.14 5.02 5.04 -1.26 -5.14 117.35 124.94 2kom s TYR 451 Ca 0.34 1.49 -0.06 0.00 -2.44 0.00 0.00 57.07 56.39 2kom s TYR 451 Cb -0.09 0.49 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 2kom s TYR 451 CO 0.15 -0.78 0.09 1.21 -1.34 0.00 0.00 175.55 174.89 2kom s ASN 452 N 2.88 5.97 -0.88 4.32 2.47 -1.26 -5.03 114.94 123.41 2kom s ASN 452 Ca 0.17 0.29 -0.25 0.00 0.42 0.00 0.00 52.86 53.49 2kom s ASN 452 Cb -0.14 -1.93 0.04 0.00 -1.45 0.00 0.00 41.25 37.78 2kom s ASN 452 CO -0.19 0.32 1.36 0.42 -3.72 0.00 0.00 177.10 175.29 2kom s THR 453 N -0.53 3.83 -1.03 -5.21 -4.23 -1.26 -4.72 115.64 102.50 2kom s THR 453 Ca 0.11 -0.19 0.11 0.00 -1.18 0.00 0.00 61.69 60.55 2kom s THR 453 Cb -0.12 -4.98 0.30 0.00 1.34 0.00 0.00 72.50 69.04 2kom s THR 453 CO 0.02 -1.89 1.23 1.17 -0.54 0.00 0.00 174.62 174.61 2kom n LYS 454 N 9.09 2.65 -4.54 3.99 4.81 -1.26 -4.99 118.16 127.92 2kom n LYS 454 Ca 0.18 -2.00 -0.26 0.00 -0.87 0.00 0.00 58.31 55.36 2kom n LYS 454 Cb 0.50 -1.28 -0.11 0.00 0.02 0.00 0.00 35.03 34.16 2kom n LYS 454 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2kom s LYS 455 N -1.00 1.80 -0.15 1.64 -2.85 -1.26 -4.92 119.74 113.00 2kom s LYS 455 Ca 0.24 -1.94 -0.07 0.00 -1.00 0.00 0.00 55.97 53.20 2kom s LYS 455 Cb 0.12 -1.62 0.03 0.00 -2.06 0.00 0.00 37.83 34.30 2kom s LYS 455 CO 0.17 0.11 0.14 -0.89 0.10 0.00 0.00 175.35 174.97 2kom n ILE 456 N -0.79 -9.40 -2.67 3.79 2.08 -1.26 -4.71 119.36 106.41 2kom n ILE 456 Ca -0.05 1.88 -0.01 0.00 0.56 0.00 0.00 62.75 65.13 2kom n ILE 456 Cb 0.64 -5.46 -0.01 0.00 -0.75 0.00 0.00 39.64 34.06 2kom n ILE 456 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kom n GLY 457 N 1.74 -4.42 3.91 7.39 0.00 -1.26 -4.98 105.19 107.57 2kom n GLY 457 Ca -0.24 0.62 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.48 3.57 -0.19 1.61 1.02 -0.38 -4.86 119.74 119.04 2kom s LYS 458 Ca -0.04 -0.20 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 2kom s LYS 458 Cb 0.00 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 2kom s LYS 458 CO 0.77 0.44 0.00 1.03 -0.92 0.00 0.00 175.35 176.67 2kom s ARG 459 N -2.95 3.70 -0.10 1.68 0.52 -1.25 -0.26 118.95 120.28 2kom s ARG 459 Ca 0.40 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 2kom s ARG 459 Cb -0.12 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 2kom s ARG 459 CO 0.27 0.11 -0.17 -0.51 0.02 0.00 0.00 175.30 175.02 2kom s LEU 460 N 0.75 2.53 -0.27 2.53 2.01 0.93 -4.91 118.68 122.24 2kom s LEU 460 Ca 0.00 -0.37 -0.13 0.00 0.01 0.00 0.00 54.13 53.65 2kom s LEU 460 Cb -0.14 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.48 2kom s LEU 460 CO 0.02 0.21 0.27 0.54 1.01 0.00 0.00 176.35 178.40 2kom s ASN 461 N 0.08 6.12 0.02 2.29 4.22 -1.26 -1.01 114.94 125.40 2kom s ASN 461 Ca -0.07 0.12 0.08 0.00 -2.14 0.00 0.00 52.86 50.85 2kom s ASN 461 Cb -0.15 -2.16 -0.02 0.00 1.28 0.00 0.00 41.25 40.20 2kom s ASN 461 CO 0.05 -0.10 -0.24 -0.63 -2.04 0.00 0.00 177.10 174.14 2kom s ILE 462 N 1.87 1.88 -0.12 0.54 1.01 0.14 -4.95 121.20 121.58 2kom s ILE 462 Ca 0.10 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2kom s ILE 462 Cb -0.16 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.73 2kom s ILE 462 CO 0.10 0.39 -0.18 -1.10 0.00 0.00 0.00 174.94 174.15 2kom s GLN 463 N -0.93 2.56 0.00 2.79 -0.21 -1.26 0.73 119.66 123.35 2kom s GLN 463 Ca 0.09 -0.69 0.08 0.00 0.02 0.00 0.00 55.36 54.86 2kom s GLN 463 Cb -0.09 -2.10 -0.02 0.00 1.00 0.00 0.00 33.01 31.80 2kom s GLN 463 CO 0.01 -0.02 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.41 2kom s LEU 464 N 0.84 2.09 -0.09 2.90 1.02 0.45 -4.88 118.68 121.02 2kom s LEU 464 Ca -0.08 -0.48 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2kom s LEU 464 Cb -0.15 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 2kom s LEU 464 CO -0.00 0.27 -0.11 -0.75 0.02 0.00 0.00 176.35 175.78 2kom s LYS 465 N -0.79 2.94 -0.20 1.70 2.20 -1.26 0.76 119.74 125.09 2kom s LYS 465 Ca 0.10 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2kom s LYS 465 Cb -0.09 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2kom s LYS 465 CO 0.00 0.48 1.83 0.21 -0.36 0.00 0.00 175.35 177.51 2kom s LYS 466 N -0.33 3.62 0.00 4.03 2.20 -0.77 -4.65 119.74 123.85 2kom s LYS 466 Ca 0.04 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 2kom s LYS 466 Cb -0.13 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2kom s LYS 466 CO 0.02 -1.52 0.00 0.41 -0.36 0.00 0.00 175.35 173.91 2kom n GLY 467 N 5.01 0.69 0.08 5.54 0.00 -1.26 -4.88 105.19 110.38 2kom n GLY 467 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 2kom n GLY 467 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kom n THR 468 N 0.00 1.46 -0.05 2.61 -1.04 -1.26 -4.57 114.28 111.42 2kom n THR 468 Ca 0.00 0.13 -0.13 0.00 -2.04 0.00 0.00 64.05 62.01 2kom n THR 468 Cb 0.00 -2.28 -0.14 0.00 -1.82 0.00 0.00 70.33 66.08 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 -4.55 0.68 0.00 -2.82 0.00 -1.26 -5.07 120.64 107.62 2kom n GLU 469 Ca -0.15 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2kom n GLU 469 Cb 0.41 -1.66 0.00 0.00 0.00 0.00 0.00 31.44 30.19 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kom n GLY 470 N 1.80 -0.02 3.51 8.31 0.00 -1.26 -4.85 105.19 112.68 2kom n GLY 470 Ca -0.29 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 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 0.27 -2.84 0.99 4.32 -1.26 0.12 117.00 118.60 2kom n LEU 471 Ca 0.00 -0.12 -0.38 0.00 -0.02 0.00 0.00 56.01 55.49 2kom n LEU 471 Cb 0.00 -0.96 0.03 0.00 -1.62 0.00 0.00 43.42 40.87 2kom n LEU 471 CO 0.00 -1.05 1.29 0.61 -1.22 0.00 0.00 177.39 177.02 2kom n GLY 472 N 6.25 5.62 3.08 -0.72 0.00 -1.26 -4.85 105.19 113.31 2kom n GLY 472 Ca 0.62 -2.54 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.98 0.88 0.22 1.61 -0.71 -1.26 -0.39 117.98 114.36 2kom s PHE 473 Ca 0.51 -0.37 0.10 0.00 -1.04 0.00 0.00 56.93 56.13 2kom s PHE 473 Cb 0.43 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2kom s PHE 473 CO -0.37 -0.01 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.26 2kom s SER 474 N -1.17 4.07 0.17 1.98 0.01 0.79 -4.97 113.70 114.57 2kom s SER 474 Ca -0.03 -0.73 0.09 0.00 1.31 0.00 0.00 55.95 56.59 2kom s SER 474 Cb -0.08 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 2kom s SER 474 CO 0.01 0.07 -0.19 0.27 0.41 0.00 0.00 173.24 173.80 2kom s ILE 475 N -2.02 1.90 0.06 1.44 -4.36 -1.26 0.39 121.20 117.35 2kom s ILE 475 Ca 0.27 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.72 2kom s ILE 475 Cb -0.07 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 2kom s ILE 475 CO 0.16 -0.26 0.04 0.28 0.24 0.00 0.00 174.94 175.39 2kom s THR 476 N -1.92 0.19 -0.12 8.37 -1.32 0.55 -4.57 115.64 116.82 2kom s THR 476 Ca 0.16 -1.54 -0.03 0.00 -1.21 0.00 0.00 61.69 59.06 2kom s THR 476 Cb -0.06 -1.36 -0.03 0.00 -1.51 0.00 0.00 72.50 69.54 2kom s THR 476 CO 0.07 -0.85 -0.02 -0.94 -2.21 0.00 0.00 174.62 170.67 2kom s SER 477 N -2.76 5.01 -0.01 8.08 1.04 -1.26 -0.21 113.70 123.59 2kom s SER 477 Ca 0.04 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 2kom s SER 477 Cb 0.06 -1.63 -0.00 0.00 0.10 0.00 0.00 66.02 64.55 2kom s SER 477 CO -0.09 0.26 -0.01 -0.09 0.98 0.00 0.00 173.24 174.29 2kom h ARG 478 N 6.02 0.00 -1.31 4.02 9.65 -1.96 -3.49 114.38 127.32 2kom h ARG 478 Ca -0.40 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.61 2kom h ARG 478 Cb 1.19 0.00 -0.30 0.00 -1.39 0.00 0.00 29.97 29.47 2kom h ARG 478 CO 0.60 0.00 0.68 0.34 2.80 0.00 0.00 179.97 184.39 2kom s ASP 479 N -3.61 -0.23 -1.07 -3.80 2.15 -1.26 -5.07 116.67 103.78 2kom s ASP 479 Ca -0.01 0.44 -0.24 0.00 0.43 0.00 0.00 52.55 53.18 2kom s ASP 479 Cb 0.00 0.49 -0.09 0.00 -0.30 0.00 0.00 42.92 43.03 2kom s ASP 479 CO 0.02 -0.08 1.98 0.54 -0.17 0.00 0.00 175.17 177.45 2kom s VAL 480 N 0.19 3.45 -0.11 1.11 0.11 -1.26 -4.49 120.40 119.38 2kom s VAL 480 Ca 0.05 -0.63 0.09 0.00 -2.93 0.00 0.00 61.98 58.55 2kom s VAL 480 Cb -0.05 -4.27 -0.24 0.00 -1.53 0.00 0.00 36.38 30.30 2kom s VAL 480 CO -0.12 -0.86 0.38 0.35 -3.33 0.00 0.00 175.10 171.53 2kom n THR 481 N 7.98 1.59 -3.86 5.04 -2.24 -1.26 -4.94 114.28 116.59 2kom n THR 481 Ca 0.43 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2kom n THR 481 Cb 0.47 -1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 2kom n THR 481 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2kom s ILE 482 N -2.56 0.01 0.00 2.28 1.10 -1.26 -5.10 121.20 115.67 2kom s ILE 482 Ca -0.12 -0.05 0.00 0.00 -0.51 0.00 0.00 60.65 59.97 2kom s ILE 482 Cb 0.07 -0.09 0.00 0.00 0.15 0.00 0.00 42.46 42.59 2kom s ILE 482 CO 0.79 -0.03 0.00 0.61 -2.11 0.00 0.00 174.94 174.21 2kom n GLY 483 N 2.97 -1.78 3.38 1.50 0.00 -1.26 -4.39 105.19 105.61 2kom n GLY 483 Ca -0.13 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.24 1.50 0.00 -0.02 0.00 -1.26 -4.89 107.32 102.41 2kom s GLY 484 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2kom s GLY 484 CO 0.00 -1.23 0.00 1.44 0.00 0.00 0.00 173.10 173.31 2kom n SER 485 N 1.45 0.00 -3.64 1.64 7.64 -1.26 -3.11 113.62 116.34 2kom n SER 485 Ca -0.17 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 2kom n SER 485 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kom s ALA 486 N -0.06 -2.03 0.11 -0.43 0.00 -1.26 -4.41 121.76 113.68 2kom s ALA 486 Ca 0.00 2.35 -0.27 0.00 0.00 0.00 0.00 51.96 54.03 2kom s ALA 486 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 2kom s ALA 486 CO 0.00 -0.39 0.86 -1.25 0.00 0.00 0.00 175.76 174.98 2kom s PRO 487 N 1.58 4.62 -0.08 0.00 0.05 -1.26 -4.19 135.00 135.72 2kom s PRO 487 Ca -0.09 1.26 -0.20 0.00 0.05 0.00 0.00 61.00 62.02 2kom s PRO 487 Cb -0.05 -3.34 -0.04 0.00 0.05 0.00 0.00 34.50 31.12 2kom s PRO 487 CO -0.18 0.33 0.56 0.42 0.05 0.00 0.00 177.00 178.18 2kom s ILE 488 N -0.34 5.09 0.19 0.56 -1.09 -1.26 -3.55 121.20 120.79 2kom s ILE 488 Ca 0.41 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 60.02 2kom s ILE 488 Cb -0.23 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 2kom s ILE 488 CO 0.27 0.33 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.92 2kom s TYR 489 N 0.44 1.48 -0.01 3.97 1.51 0.71 -0.47 117.35 124.98 2kom s TYR 489 Ca 0.30 -0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 55.30 2kom s TYR 489 Cb -0.16 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2kom s TYR 489 CO 0.14 0.13 1.22 0.08 -1.11 0.00 0.00 175.55 176.00 2kom s VAL 490 N -3.25 4.13 -0.18 0.71 1.01 -1.10 -0.33 120.40 121.39 2kom s VAL 490 Ca 0.22 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 2kom s VAL 490 Cb 0.03 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 2kom s VAL 490 CO 0.05 0.04 0.30 0.50 0.00 0.00 0.00 175.10 175.98 2kom h LYS 491 N 7.25 0.00 -2.85 2.72 3.64 -0.31 -3.43 116.57 123.59 2kom h LYS 491 Ca -0.37 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2kom h LYS 491 Cb 1.18 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 2kom h LYS 491 CO 0.86 0.88 0.16 1.21 -2.27 0.00 0.00 179.45 180.29 2kom s ASN 492 N -6.58 -0.54 -0.26 4.20 2.47 -1.15 -4.97 114.94 108.12 2kom s ASN 492 Ca -0.25 0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.16 2kom s ASN 492 Cb 0.03 0.57 0.06 0.00 -1.45 0.00 0.00 41.25 40.46 2kom s ASN 492 CO 0.56 -0.87 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.35 2kom s ILE 493 N -3.21 2.06 0.90 -5.21 -1.09 -1.26 -0.15 121.20 113.24 2kom s ILE 493 Ca -0.01 -1.61 -0.12 0.00 -2.23 0.00 0.00 60.65 56.68 2kom s ILE 493 Cb -0.01 -2.22 0.08 0.00 -1.58 0.00 0.00 42.46 38.74 2kom s ILE 493 CO -0.08 -0.08 0.80 0.18 -1.23 0.00 0.00 174.94 174.52 2kom n LEU 494 N 4.46 1.80 0.00 2.97 7.99 0.48 -4.88 117.00 129.82 2kom n LEU 494 Ca -0.12 0.42 0.04 0.00 -0.01 0.00 0.00 56.01 56.33 2kom n LEU 494 Cb 0.42 -1.35 0.24 0.00 -0.11 0.00 0.00 43.42 42.62 2kom n LEU 494 CO 0.20 -2.79 0.64 -0.81 -1.51 0.00 0.00 177.39 173.12 2kom n PRO 495 N -2.78 0.96 0.00 3.23 -0.04 -1.26 -4.63 135.00 130.48 2kom n PRO 495 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kom n PRO 495 Cb 0.52 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 -0.63 0.00 0.00 0.54 1.85 -1.26 -4.91 116.66 112.25 2kom n ARG 496 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 2kom n ARG 496 Cb 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 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 -0.41 0.22 2.89 0.00 -1.26 -3.89 105.19 102.74 2kom n GLY 497 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.37 0.85 -0.80 4.61 0.00 0.62 -3.25 119.26 120.92 2kom h ALA 498 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2kom h ALA 498 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2kom h ALA 498 CO 0.00 0.65 0.52 0.00 0.00 0.00 0.00 179.25 180.42 2kom h ALA 499 N 1.10 1.58 0.15 0.00 0.00 -1.74 -1.07 119.26 119.28 2kom h ALA 499 Ca 0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2kom h ALA 499 Cb 0.94 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kom h ALA 499 CO 0.08 0.32 -1.28 0.97 0.00 0.00 0.00 179.25 179.34 2kom h ILE 500 N 0.92 1.44 -0.28 0.00 2.10 -1.67 0.31 117.51 120.33 2kom h ILE 500 Ca 0.33 -2.94 -0.05 0.00 1.08 0.00 0.00 64.86 63.29 2kom h ILE 500 Cb 0.15 2.93 -0.02 0.00 -1.09 0.00 0.00 36.82 38.80 2kom h ILE 500 CO -0.11 0.86 -0.02 1.56 -1.08 0.00 0.00 178.15 179.36 2kom h GLN 501 N 0.10 0.43 0.03 2.19 1.08 -1.32 -2.86 115.11 114.76 2kom h GLN 501 Ca -0.16 -0.09 -0.26 0.00 -1.45 0.00 0.00 58.65 56.70 2kom h GLN 501 Cb 1.99 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 29.33 2kom h GLN 501 CO 0.22 0.48 -1.39 0.22 -0.95 0.00 0.00 178.83 177.41 2kom h ASP 502 N 0.42 0.09 0.00 1.46 3.58 -1.34 -3.48 116.42 117.14 2kom h ASP 502 Ca 0.09 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2kom h ASP 502 Cb 0.31 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kom h ASP 502 CO 0.01 1.56 0.00 0.61 -2.88 0.00 0.00 179.24 178.54 2kom n GLY 503 N 1.54 1.09 0.11 -0.78 0.00 0.11 -4.81 105.19 102.45 2kom n GLY 503 Ca -0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2kom n GLY 503 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kom h ARG 504 N 1.70 0.00 -5.63 1.61 3.08 -1.90 -3.43 114.38 109.79 2kom h ARG 504 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2kom h ARG 504 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2kom h ARG 504 CO 0.00 0.00 -0.34 -1.17 -1.07 0.00 0.00 179.97 177.39 2kom s LEU 505 N -4.60 4.33 0.29 3.04 2.96 -1.26 -5.08 118.68 118.35 2kom s LEU 505 Ca 0.10 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2kom s LEU 505 Cb 0.12 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 2kom s LEU 505 CO 0.61 0.22 0.29 -1.59 -1.32 0.00 0.00 176.35 174.56 2kom s LYS 506 N -0.21 1.60 -0.99 1.98 0.00 -1.26 -4.90 119.74 115.95 2kom s LYS 506 Ca 0.17 -1.78 -0.09 0.00 0.00 0.00 0.00 55.97 54.28 2kom s LYS 506 Cb -0.14 0.35 0.25 0.00 0.00 0.00 0.00 37.83 38.29 2kom s LYS 506 CO 0.06 -0.60 0.95 0.00 0.00 0.00 0.00 175.35 175.76 2kom s ALA 507 N -3.63 4.47 -0.05 0.59 0.00 -1.26 -4.43 121.76 117.46 2kom s ALA 507 Ca 0.36 -3.71 0.02 0.00 0.00 0.00 0.00 51.96 48.63 2kom s ALA 507 Cb 0.03 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2kom s ALA 507 CO 0.20 -2.20 0.53 0.41 0.00 0.00 0.00 175.76 174.69 2kom n GLY 508 N 2.93 -0.24 3.64 0.00 0.00 -1.26 -5.03 105.19 105.23 2kom n GLY 508 Ca 0.21 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2kom n GLY 508 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kom s ASP 509 N -0.27 0.39 -0.01 1.61 1.47 -1.26 -4.83 116.67 113.77 2kom s ASP 509 Ca 0.01 -1.24 0.05 0.00 1.18 0.00 0.00 52.55 52.55 2kom s ASP 509 Cb 0.06 0.73 -0.03 0.00 -0.34 0.00 0.00 42.92 43.35 2kom s ASP 509 CO -0.02 -1.44 -0.16 -0.60 0.68 0.00 0.00 175.17 173.63 2kom s ARG 510 N -2.92 2.31 -0.09 2.11 3.00 -0.12 -2.71 118.95 120.53 2kom s ARG 510 Ca 0.23 -0.83 -0.25 0.00 -1.00 0.00 0.00 55.73 53.88 2kom s ARG 510 Cb -0.03 -2.28 -0.03 0.00 0.00 0.00 0.00 34.95 32.61 2kom s ARG 510 CO 0.15 0.58 0.77 -0.51 0.00 0.00 0.00 175.30 176.29 2kom s LEU 511 N -1.05 4.28 -0.16 -0.88 2.01 0.38 0.72 118.68 123.98 2kom s LEU 511 Ca 0.13 1.23 -0.15 0.00 0.01 0.00 0.00 54.13 55.35 2kom s LEU 511 Cb -0.11 -3.18 -0.06 0.00 0.01 0.00 0.00 46.19 42.86 2kom s LEU 511 CO 0.03 -0.21 -0.31 -0.38 1.01 0.00 0.00 176.35 176.49 2kom n ILE 512 N 4.08 1.45 -3.64 -0.59 2.08 0.22 -4.35 119.36 118.61 2kom n ILE 512 Ca 0.01 0.11 -0.15 0.00 0.56 0.00 0.00 62.75 63.28 2kom n ILE 512 Cb 0.51 -2.20 -0.08 0.00 -0.75 0.00 0.00 39.64 37.12 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 -2.75 0.79 -0.03 0.38 -1.05 -1.14 -2.65 118.70 112.25 2kom s GLU 513 Ca -0.26 0.49 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 2kom s GLU 513 Cb 0.05 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2kom s GLU 513 CO 0.38 -0.17 -0.11 0.54 0.95 0.00 0.00 175.26 176.85 2kom s VAL 514 N -0.40 0.95 0.00 1.83 0.11 -1.07 0.28 120.40 122.10 2kom s VAL 514 Ca -0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 2kom s VAL 514 Cb -0.03 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2kom s VAL 514 CO 0.04 0.29 0.00 0.59 -3.33 0.00 0.00 175.10 172.69 2kom n ASN 515 N 3.31 -4.99 0.00 3.54 4.13 0.91 -0.90 115.26 121.25 2kom n ASN 515 Ca -0.19 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.07 2kom n ASN 515 Cb 0.54 -2.52 0.00 0.00 -1.54 0.00 0.00 39.78 36.25 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kom n GLY 516 N -0.31 0.57 3.74 7.41 0.00 -1.26 -4.93 105.19 110.41 2kom n GLY 516 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 4.98 0.06 1.61 1.01 -0.08 -5.07 120.40 120.91 2kom s VAL 517 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2kom s VAL 517 Cb 0.00 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2kom s VAL 517 CO 0.00 0.55 1.02 -0.62 0.00 0.00 0.00 175.10 176.05 2kom s ASP 518 N -0.40 7.36 -0.25 3.32 2.15 -1.26 -2.61 116.67 124.98 2kom s ASP 518 Ca 0.10 1.80 -0.08 0.00 0.43 0.00 0.00 52.55 54.80 2kom s ASP 518 Cb -0.12 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.76 2kom s ASP 518 CO 0.02 -0.22 -0.17 0.18 -0.17 0.00 0.00 175.17 174.81 2kom n LEU 519 N 3.37 2.39 -4.55 -1.34 4.77 -1.08 -4.56 117.00 115.99 2kom n LEU 519 Ca 0.05 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2kom n LEU 519 Cb 0.49 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 2kom n LEU 519 CO 0.52 0.70 1.24 -0.69 -1.33 0.00 0.00 177.39 177.84 2kom s VAL 520 N -2.50 3.66 0.00 4.08 1.01 -1.26 -1.37 120.40 124.02 2kom s VAL 520 Ca -0.35 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2kom s VAL 520 Cb 0.11 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2kom s VAL 520 CO 0.57 -1.71 0.00 0.61 0.00 0.00 0.00 175.10 174.57 2kom n GLY 521 N 5.44 1.13 4.01 4.51 0.00 -1.18 -4.55 105.19 114.55 2kom n GLY 521 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 2.24 0.39 1.61 -2.85 -0.47 -4.88 119.74 115.78 2kom s LYS 522 Ca 0.00 -1.77 -0.09 0.00 -1.00 0.00 0.00 55.97 53.11 2kom s LYS 522 Cb 0.00 -2.52 -0.06 0.00 -2.06 0.00 0.00 37.83 33.19 2kom s LYS 522 CO 0.00 -0.89 0.73 0.45 0.10 0.00 0.00 175.35 175.75 2kom s SER 523 N -4.63 6.49 0.28 0.03 0.15 -1.26 -4.75 113.70 110.01 2kom s SER 523 Ca 0.57 1.05 0.01 0.00 0.70 0.00 0.00 55.95 58.28 2kom s SER 523 Cb -0.05 -2.29 0.56 0.00 -1.71 0.00 0.00 66.02 62.53 2kom s SER 523 CO 0.36 -0.37 1.83 1.56 1.20 0.00 0.00 173.24 177.82 2kom h GLN 524 N 1.28 0.97 -0.12 5.44 1.08 -1.96 -1.86 115.11 119.93 2kom h GLN 524 Ca -0.47 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 56.59 2kom h GLN 524 Cb 1.19 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 2kom h GLN 524 CO 0.64 0.64 -0.28 0.93 -0.95 0.00 0.00 178.83 179.81 2kom h GLU 525 N 1.00 0.22 -0.33 1.46 5.08 -1.98 0.13 114.58 120.15 2kom h GLU 525 Ca 0.50 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 2kom h GLU 525 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kom h GLU 525 CO -0.27 0.50 0.00 0.93 -1.00 0.00 0.00 179.01 179.17 2kom h GLU 526 N 0.20 0.59 -0.34 2.33 5.08 -1.74 -0.81 114.58 119.90 2kom h GLU 526 Ca 0.03 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2kom h GLU 526 Cb 0.61 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2kom h GLU 526 CO 0.04 0.71 -0.10 0.28 -1.00 0.00 0.00 179.01 178.95 2kom h VAL 527 N 0.40 1.28 -0.61 3.13 2.07 -1.01 -1.42 116.25 120.10 2kom h VAL 527 Ca 0.09 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2kom h VAL 527 Cb 0.45 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2kom h VAL 527 CO 0.02 0.38 0.09 -0.37 0.02 0.00 0.00 177.57 177.71 2kom h VAL 528 N 0.44 1.25 -0.37 2.57 -1.51 -0.70 0.24 116.25 118.18 2kom h VAL 528 Ca 0.08 -1.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 2kom h VAL 528 Cb 0.61 0.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 2kom h VAL 528 CO 0.04 0.37 0.16 -1.28 -1.23 0.00 0.00 177.57 175.62 2kom h SER 529 N 0.93 0.51 -0.20 4.19 0.87 -1.03 0.33 113.55 119.16 2kom h SER 529 Ca 0.19 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2kom h SER 529 Cb 0.42 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2kom h SER 529 CO 0.01 0.53 -0.14 0.17 -0.53 0.00 0.00 176.83 176.86 2kom h LEU 530 N 0.46 0.59 -0.18 2.23 8.10 -0.88 -0.55 115.31 125.07 2kom h LEU 530 Ca 0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 2kom h LEU 530 Cb 0.17 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.23 2kom h LEU 530 CO -0.01 0.76 0.09 0.25 -4.11 0.00 0.00 178.44 175.41 2kom h LEU 531 N 0.54 0.23 -1.01 0.17 6.46 -0.54 0.15 115.31 121.32 2kom h LEU 531 Ca 0.09 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 2kom h LEU 531 Cb 0.56 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2kom h LEU 531 CO 0.04 0.27 0.12 0.03 -0.62 0.00 0.00 178.44 178.27 2kom h ARG 532 N 0.17 0.83 -0.53 1.25 2.47 0.02 -1.86 114.38 116.73 2kom h ARG 532 Ca 0.06 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 58.49 2kom h ARG 532 Cb 0.10 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2kom h ARG 532 CO -0.01 0.76 -0.13 0.77 0.56 0.00 0.00 179.97 181.92 2kom h SER 533 N 0.80 1.03 0.00 7.04 0.02 -0.88 -3.47 113.55 118.10 2kom h SER 533 Ca 0.17 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2kom h SER 533 Cb 0.32 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kom h SER 533 CO 0.00 1.15 0.00 0.41 -1.14 0.00 0.00 176.83 177.26 2kom n THR 534 N -4.14 0.00 0.00 -2.27 -1.04 0.52 -4.61 114.28 102.74 2kom n THR 534 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2kom n THR 534 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.21 -2.82 4.81 -1.26 -4.83 118.16 114.27 2kom n LYS 535 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 2kom n LYS 535 Cb 0.00 0.00 0.45 0.00 0.02 0.00 0.00 35.03 35.50 2kom n LYS 535 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 2kom h MET 536 N 0.00 0.00 -0.08 1.64 2.86 -1.96 -2.46 114.93 114.93 2kom h MET 536 Ca 0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 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 0.28 -0.81 1.49 1.06 0.00 0.00 176.91 178.93 2kom h GLU 537 N 0.00 0.55 0.00 1.72 4.81 -1.98 -3.49 114.58 116.20 2kom h GLU 537 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2kom h GLU 537 Cb 0.51 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2kom h GLU 537 CO 0.04 1.11 0.00 0.41 -0.73 0.00 0.00 179.01 179.84 2kom n GLY 538 N 0.71 4.11 3.83 1.92 0.00 -0.93 -5.07 105.19 109.75 2kom n GLY 538 Ca -0.06 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 5.17 -0.05 2.61 2.01 -1.26 -1.85 115.64 122.27 2kom s THR 539 Ca 0.00 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2kom s THR 539 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2kom s THR 539 CO 0.00 0.61 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.72 2kom s VAL 540 N -1.00 3.17 -0.22 3.82 1.01 0.23 -4.85 120.40 122.57 2kom s VAL 540 Ca 0.15 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 2kom s VAL 540 Cb -0.12 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2kom s VAL 540 CO 0.04 0.58 0.35 -0.55 0.00 0.00 0.00 175.10 175.51 2kom s SER 541 N -0.79 6.35 -0.21 3.32 0.15 -1.26 -0.41 113.70 120.86 2kom s SER 541 Ca 0.12 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.16 2kom s SER 541 Cb -0.11 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 2kom s SER 541 CO 0.01 -0.06 -0.10 -0.76 1.20 0.00 0.00 173.24 173.53 2kom s LEU 542 N 1.32 2.67 -0.27 3.45 2.01 0.22 -0.06 118.68 128.02 2kom s LEU 542 Ca 0.16 -0.56 -0.06 0.00 0.01 0.00 0.00 54.13 53.68 2kom s LEU 542 Cb -0.15 -1.63 -0.01 0.00 0.01 0.00 0.00 46.19 44.42 2kom s LEU 542 CO 0.07 -0.03 0.05 -0.22 1.01 0.00 0.00 176.35 177.23 2kom s LEU 543 N 1.39 3.53 0.13 1.79 2.96 0.14 0.27 118.68 128.89 2kom s LEU 543 Ca 0.05 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 2kom s LEU 543 Cb -0.14 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2kom s LEU 543 CO -0.07 -0.11 -0.17 0.68 -1.32 0.00 0.00 176.35 175.36 2kom s VAL 544 N 1.53 2.87 -0.25 1.68 -7.23 -0.18 -0.61 120.40 118.20 2kom s VAL 544 Ca 0.04 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2kom s VAL 544 Cb -0.16 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2kom s VAL 544 CO 0.02 0.07 -0.01 0.12 -0.31 0.00 0.00 175.10 174.98 2kom s PHE 545 N -1.22 3.06 -0.11 2.82 5.36 0.22 -0.05 117.98 128.06 2kom s PHE 545 Ca 0.19 -1.20 0.02 0.00 -0.96 0.00 0.00 56.93 54.98 2kom s PHE 545 Cb -0.10 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 2kom s PHE 545 CO 0.11 -0.63 -0.18 0.50 -1.46 0.00 0.00 175.22 173.56 2kom s ARG 546 N 1.42 3.18 -0.07 10.12 3.52 0.64 -0.95 118.95 136.81 2kom s ARG 546 Ca 0.03 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 2kom s ARG 546 Cb -0.16 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 2kom s ARG 546 CO -0.02 0.23 0.87 -1.14 -0.81 0.00 0.00 175.30 174.43 2kom s GLN 547 N 0.27 4.45 1.19 5.12 0.74 -1.26 -1.24 119.66 128.92 2kom s GLN 547 Ca -0.13 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.45 2kom s GLN 547 Cb -0.16 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2kom s GLN 547 CO 0.07 -0.11 0.00 0.39 -0.55 0.00 0.00 175.29 175.09 2kom n GLU 548 N 4.29 -0.87 0.00 1.67 1.02 -1.26 -4.94 120.64 120.54 2kom n GLU 548 Ca 0.04 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2kom n GLU 548 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 2kom n GLU 548 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84