#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 6.69 -0.63 1.61 1.04 -1.26 -4.95 113.70 116.19 2kom s SER 450 Ca 0.00 -2.17 -0.23 0.00 0.48 0.00 0.00 55.95 54.02 2kom s SER 450 Cb 0.00 -2.40 0.06 0.00 0.10 0.00 0.00 66.02 63.78 2kom s SER 450 CO 0.00 -1.01 0.97 -0.47 0.98 0.00 0.00 173.24 173.71 2kom s TYR 451 N 2.50 2.68 -0.32 5.02 5.04 -1.26 -4.97 117.35 126.05 2kom s TYR 451 Ca 0.34 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 2kom s TYR 451 Cb -0.05 -4.24 0.10 0.00 0.35 0.00 0.00 41.96 38.12 2kom s TYR 451 CO -0.08 -1.59 0.08 -0.80 -1.34 0.00 0.00 175.55 171.81 2kom s ASN 452 N 3.45 4.26 -0.04 4.32 -0.87 -1.26 -5.10 114.94 119.69 2kom s ASN 452 Ca 0.25 -1.79 -0.07 0.00 -1.57 0.00 0.00 52.86 49.68 2kom s ASN 452 Cb -0.15 -1.11 -0.04 0.00 -0.02 0.00 0.00 41.25 39.92 2kom s ASN 452 CO 0.13 -0.40 0.22 0.42 -2.57 0.00 0.00 177.10 174.90 2kom s THR 453 N 1.39 5.38 0.04 1.60 -4.23 -1.26 -5.00 115.64 113.56 2kom s THR 453 Ca 0.10 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.77 2kom s THR 453 Cb -0.18 -3.51 -0.26 0.00 1.34 0.00 0.00 72.50 69.88 2kom s THR 453 CO -0.19 0.46 1.01 0.50 -0.54 0.00 0.00 174.62 175.86 2kom h LYS 454 N 4.36 0.20 -6.16 3.99 3.64 -2.03 -3.45 116.57 117.11 2kom h LYS 454 Ca -0.52 -0.34 -0.64 0.00 -1.27 0.00 0.00 60.65 57.89 2kom h LYS 454 Cb 1.21 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 33.07 2kom h LYS 454 CO 0.63 1.09 -0.60 0.15 -2.27 0.00 0.00 179.45 178.45 2kom s LYS 455 N -2.64 2.91 -0.96 1.90 1.02 -1.26 -5.05 119.74 115.66 2kom s LYS 455 Ca -0.05 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 2kom s LYS 455 Cb 0.07 -2.75 0.25 0.00 -0.52 0.00 0.00 37.83 34.88 2kom s LYS 455 CO 0.86 0.57 0.92 -1.50 -0.92 0.00 0.00 175.35 175.28 2kom s ILE 456 N -1.37 5.71 -0.58 2.17 2.07 -1.26 -4.93 121.20 123.01 2kom s ILE 456 Ca 0.29 -2.96 -0.03 0.00 -1.41 0.00 0.00 60.65 56.54 2kom s ILE 456 Cb -0.12 -4.48 0.15 0.00 0.13 0.00 0.00 42.46 38.14 2kom s ILE 456 CO 0.21 -1.10 0.39 -0.83 -1.91 0.00 0.00 174.94 171.71 2kom s GLY 457 N 1.67 2.42 0.23 1.50 0.00 -1.26 -4.15 107.32 107.72 2kom s GLY 457 Ca 0.24 -3.14 0.00 0.00 0.00 0.00 0.00 44.72 41.83 2kom s GLY 457 CO -0.09 1.09 0.11 -1.59 0.00 0.00 0.00 173.10 172.61 2kom s LYS 458 N 0.13 1.30 0.04 2.90 -2.85 -1.06 -4.94 119.74 115.26 2kom s LYS 458 Ca 0.15 -1.69 -0.01 0.00 -1.00 0.00 0.00 55.97 53.43 2kom s LYS 458 Cb -0.21 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.49 2kom s LYS 458 CO -0.03 -0.33 0.19 1.03 0.10 0.00 0.00 175.35 176.31 2kom s ARG 459 N -4.08 3.40 -0.04 1.78 0.52 -1.26 -1.46 118.95 117.81 2kom s ARG 459 Ca 0.37 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2kom s ARG 459 Cb 0.07 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.52 2kom s ARG 459 CO 0.12 0.63 -0.10 -0.51 0.02 0.00 0.00 175.30 175.46 2kom s LEU 460 N -2.32 1.74 -0.34 2.53 2.01 0.17 -4.93 118.68 117.54 2kom s LEU 460 Ca 0.32 -0.22 -0.19 0.00 0.01 0.00 0.00 54.13 54.05 2kom s LEU 460 Cb -0.13 -0.65 -0.01 0.00 0.01 0.00 0.00 46.19 45.42 2kom s LEU 460 CO 0.25 0.06 0.54 0.21 1.01 0.00 0.00 176.35 178.42 2kom s ASN 461 N 0.31 6.35 -0.04 2.29 2.47 -1.26 -0.71 114.94 124.35 2kom s ASN 461 Ca -0.06 0.08 0.07 0.00 0.42 0.00 0.00 52.86 53.37 2kom s ASN 461 Cb -0.11 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.39 2kom s ASN 461 CO 0.01 -0.48 -0.25 -0.63 -3.72 0.00 0.00 177.10 172.03 2kom s ILE 462 N 2.45 2.06 -0.12 -5.21 1.01 0.14 -4.97 121.20 116.57 2kom s ILE 462 Ca 0.20 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2kom s ILE 462 Cb -0.15 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.60 2kom s ILE 462 CO 0.13 0.58 -0.22 -1.10 0.00 0.00 0.00 174.94 174.33 2kom s GLN 463 N -0.39 2.91 -0.02 2.79 -0.21 -1.26 0.74 119.66 124.23 2kom s GLN 463 Ca 0.03 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.63 2kom s GLN 463 Cb -0.12 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 2kom s GLN 463 CO 0.01 0.07 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.61 2kom s LEU 464 N 0.61 2.81 -0.21 2.90 2.01 0.39 -4.89 118.68 122.29 2kom s LEU 464 Ca -0.13 -0.23 -0.09 0.00 0.01 0.00 0.00 54.13 53.69 2kom s LEU 464 Cb -0.17 -1.61 -0.05 0.00 0.01 0.00 0.00 46.19 44.38 2kom s LEU 464 CO 0.03 0.31 0.12 -0.75 1.01 0.00 0.00 176.35 177.08 2kom s LYS 465 N -1.05 4.05 -0.67 1.70 2.47 -1.26 0.28 119.74 125.26 2kom s LYS 465 Ca 0.13 -0.29 -0.26 0.00 -1.56 0.00 0.00 55.97 54.00 2kom s LYS 465 Cb -0.11 -3.41 -0.07 0.00 -1.46 0.00 0.00 37.83 32.78 2kom s LYS 465 CO 0.03 0.17 2.20 0.21 0.16 0.00 0.00 175.35 178.12 2kom s LYS 466 N 0.72 2.17 0.05 4.03 2.20 -0.68 -4.54 119.74 123.70 2kom s LYS 466 Ca 0.06 0.68 0.01 0.00 -0.36 0.00 0.00 55.97 56.37 2kom s LYS 466 Cb -0.13 -4.68 -0.03 0.00 -1.51 0.00 0.00 37.83 31.49 2kom s LYS 466 CO 0.02 -3.48 -0.06 0.20 -0.36 0.00 0.00 175.35 171.66 2kom s GLY 467 N 10.18 0.53 0.00 5.54 0.00 -1.26 -4.82 107.32 117.48 2kom s GLY 467 Ca 0.84 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2kom s GLY 467 CO 0.15 -1.00 0.00 2.41 0.00 0.00 0.00 173.10 174.66 2kom n THR 468 N 0.97 0.00 0.91 0.90 -1.04 -1.26 -0.34 114.28 114.42 2kom n THR 468 Ca -0.19 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.92 2kom n THR 468 Cb 0.57 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.09 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 1.47 0.00 -2.82 -0.58 -1.20 -5.04 120.64 112.47 2kom n GLU 469 Ca 0.00 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 2kom n GLU 469 Cb 0.00 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.32 -0.80 3.52 0.62 0.00 0.54 -4.77 105.19 105.62 2kom n GLY 470 Ca 0.09 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 1.13 -3.29 0.99 4.77 -1.26 0.13 117.00 119.47 2kom n LEU 471 Ca 0.00 -0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.53 2kom n LEU 471 Cb 0.00 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 39.87 2kom n LEU 471 CO 0.00 -1.09 0.70 0.61 -1.33 0.00 0.00 177.39 176.28 2kom n GLY 472 N 6.29 5.76 3.25 -0.72 0.00 -1.26 -4.79 105.19 113.73 2kom n GLY 472 Ca 0.54 -2.70 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.73 -0.36 0.20 1.61 -0.71 -1.26 0.04 117.98 113.76 2kom s PHE 473 Ca 0.44 0.83 0.10 0.00 -1.04 0.00 0.00 56.93 57.25 2kom s PHE 473 Cb 0.23 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2kom s PHE 473 CO -0.12 -0.24 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.87 2kom s SER 474 N -0.15 4.10 0.12 1.98 1.04 -0.39 -4.97 113.70 115.44 2kom s SER 474 Ca -0.03 -0.66 0.09 0.00 0.48 0.00 0.00 55.95 55.83 2kom s SER 474 Cb -0.03 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 2kom s SER 474 CO 0.01 0.09 -0.18 0.27 0.98 0.00 0.00 173.24 174.42 2kom s ILE 475 N -1.80 2.84 0.03 -1.02 -4.36 -1.26 0.25 121.20 115.88 2kom s ILE 475 Ca 0.25 -1.53 0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2kom s ILE 475 Cb -0.08 -2.31 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 2kom s ILE 475 CO 0.15 0.08 -0.07 0.28 0.24 0.00 0.00 174.94 175.62 2kom s THR 476 N -1.19 0.48 -0.05 8.37 -1.32 0.14 -4.75 115.64 117.33 2kom s THR 476 Ca 0.18 -0.82 -0.02 0.00 -1.21 0.00 0.00 61.69 59.82 2kom s THR 476 Cb -0.10 -0.51 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 2kom s THR 476 CO 0.10 -0.24 0.11 -0.94 -2.21 0.00 0.00 174.62 171.44 2kom s SER 477 N -1.15 -0.06 -0.01 8.08 1.04 -1.26 -0.37 113.70 119.98 2kom s SER 477 Ca -0.07 0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 2kom s SER 477 Cb -0.08 0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2kom s SER 477 CO 0.00 -0.12 -0.02 0.54 0.98 0.00 0.00 173.24 174.61 2kom n ARG 478 N 4.00 0.04 -3.71 4.02 1.74 -1.26 -5.06 116.66 116.43 2kom n ARG 478 Ca -0.24 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.71 2kom n ARG 478 Cb 0.53 -0.39 -0.09 0.00 -1.02 0.00 0.00 32.46 31.49 2kom n ARG 478 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kom s ASP 479 N -4.57 -0.40 -0.02 0.55 2.15 -1.26 -5.05 116.67 108.07 2kom s ASP 479 Ca -0.02 0.63 -0.30 0.00 0.43 0.00 0.00 52.55 53.29 2kom s ASP 479 Cb 0.00 0.68 -0.05 0.00 -0.30 0.00 0.00 42.92 43.26 2kom s ASP 479 CO 0.03 -0.29 1.33 0.54 -0.17 0.00 0.00 175.17 176.61 2kom s VAL 480 N -0.39 3.89 -0.92 1.11 0.11 -1.26 -4.55 120.40 118.39 2kom s VAL 480 Ca -0.05 1.25 -0.02 0.00 -2.93 0.00 0.00 61.98 60.23 2kom s VAL 480 Cb -0.03 -3.81 0.23 0.00 -1.53 0.00 0.00 36.38 31.24 2kom s VAL 480 CO 0.03 -0.00 0.86 0.41 -3.33 0.00 0.00 175.10 173.07 2kom n THR 481 N 4.64 3.27 -2.64 5.04 -1.04 -1.26 -4.90 114.28 117.39 2kom n THR 481 Ca 0.12 -5.20 -0.05 0.00 -2.04 0.00 0.00 64.05 56.88 2kom n THR 481 Cb 0.44 -2.36 -0.04 0.00 -1.82 0.00 0.00 70.33 66.56 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2kom n ILE 482 N 2.16-12.26 0.00 12.58 5.41 -1.26 -4.97 119.36 121.02 2kom n ILE 482 Ca 0.23 2.58 0.00 0.00 1.00 0.00 0.00 62.75 66.56 2kom n ILE 482 Cb 0.37 -6.39 0.00 0.00 -0.71 0.00 0.00 39.64 32.91 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 1.67 -1.14 0.00 7.39 0.00 -1.26 -5.09 105.19 106.76 2kom n GLY 483 Ca -0.37 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.21 0.19 -0.02 0.00 -1.26 -4.90 105.19 99.41 2kom n GLY 484 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 2kom n GLY 484 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kom h SER 485 N 0.00 -0.33 -4.84 1.61 0.02 -1.83 -3.47 113.55 104.72 2kom h SER 485 Ca 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2kom h SER 485 Cb 0.00 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 62.45 2kom h SER 485 CO 0.00 0.14 0.28 0.00 -1.14 0.00 0.00 176.83 176.11 2kom s ALA 486 N -3.61 -1.75 -0.07 3.77 0.00 -1.26 -4.11 121.76 114.72 2kom s ALA 486 Ca -0.07 1.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 2kom s ALA 486 Cb 0.01 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2kom s ALA 486 CO 0.23 -0.51 0.40 -1.25 0.00 0.00 0.00 175.76 174.64 2kom s PRO 487 N -2.09 4.11 -0.14 0.00 0.05 -1.26 -4.45 135.00 131.22 2kom s PRO 487 Ca -0.05 0.34 -0.13 0.00 0.05 0.00 0.00 61.00 61.21 2kom s PRO 487 Cb -0.00 -3.33 -0.05 0.00 0.05 0.00 0.00 34.50 31.17 2kom s PRO 487 CO 0.01 0.43 0.29 0.42 0.05 0.00 0.00 177.00 178.19 2kom s ILE 488 N -0.20 5.29 0.11 0.56 -1.09 -1.26 -4.33 121.20 120.28 2kom s ILE 488 Ca 0.23 0.55 0.06 0.00 -2.23 0.00 0.00 60.65 59.26 2kom s ILE 488 Cb -0.15 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2kom s ILE 488 CO 0.10 0.43 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.78 2kom s TYR 489 N 0.15 1.41 -0.24 3.97 2.02 0.51 0.12 117.35 125.29 2kom s TYR 489 Ca 0.17 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 56.08 2kom s TYR 489 Cb -0.13 -0.76 0.01 0.00 -0.40 0.00 0.00 41.96 40.68 2kom s TYR 489 CO 0.05 0.13 1.03 0.08 -1.57 0.00 0.00 175.55 175.27 2kom s VAL 490 N -1.77 4.67 -0.11 0.71 1.01 0.48 0.25 120.40 125.65 2kom s VAL 490 Ca 0.06 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 2kom s VAL 490 Cb -0.07 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2kom s VAL 490 CO 0.03 -0.21 -0.01 0.50 0.00 0.00 0.00 175.10 175.41 2kom h LYS 491 N 7.55 0.00 -4.11 2.72 1.63 -0.49 -1.00 116.57 122.87 2kom h LYS 491 Ca -0.19 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.46 2kom h LYS 491 Cb 1.06 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.52 2kom h LYS 491 CO 0.98 0.04 -0.68 1.21 -3.45 0.00 0.00 179.45 177.55 2kom s ASN 492 N -5.62 0.37 -0.31 4.20 2.47 -1.23 -4.58 114.94 110.24 2kom s ASN 492 Ca -0.04 -0.77 0.03 0.00 0.42 0.00 0.00 52.86 52.50 2kom s ASN 492 Cb 0.00 0.16 0.08 0.00 -1.45 0.00 0.00 41.25 40.04 2kom s ASN 492 CO 0.07 -0.47 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.34 2kom s ILE 493 N -2.81 2.35 0.22 -5.21 -1.09 -1.26 -1.26 121.20 112.13 2kom s ILE 493 Ca -0.03 -1.97 -0.32 0.00 -2.23 0.00 0.00 60.65 56.10 2kom s ILE 493 Cb -0.00 -2.56 -0.12 0.00 -1.58 0.00 0.00 42.46 38.20 2kom s ILE 493 CO -0.06 -0.34 1.71 -0.76 -1.23 0.00 0.00 174.94 174.26 2kom s LEU 494 N 1.02 4.37 0.00 2.97 2.01 0.11 -4.86 118.68 124.29 2kom s LEU 494 Ca 0.02 2.88 0.00 0.00 0.01 0.00 0.00 54.13 57.03 2kom s LEU 494 Cb -0.20 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.40 2kom s LEU 494 CO -0.06 -0.97 0.29 -0.81 1.01 0.00 0.00 176.35 175.82 2kom n PRO 495 N 3.80 0.49 0.00 1.29 -0.04 -1.26 -2.81 135.00 136.47 2kom n PRO 495 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kom n PRO 495 Cb 0.35 -1.20 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 0.11 0.00 0.00 0.54 1.85 -1.26 -4.98 116.66 112.91 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 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.51 2kom n ARG 496 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kom n GLY 497 N 0.00 1.08 0.29 2.89 0.00 -1.12 -3.25 105.19 105.09 2kom n GLY 497 Ca 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.42 0.87 -0.69 4.61 0.00 1.00 -1.92 119.26 121.71 2kom h ALA 498 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2kom h ALA 498 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 2kom h ALA 498 CO 0.00 0.50 0.39 0.00 0.00 0.00 0.00 179.25 180.13 2kom h ALA 499 N 1.11 0.93 0.00 0.00 0.00 -1.79 -0.77 119.26 118.73 2kom h ALA 499 Ca 0.22 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 2kom h ALA 499 Cb 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kom h ALA 499 CO -0.02 0.06 -0.97 0.97 0.00 0.00 0.00 179.25 179.30 2kom h ILE 500 N 0.71 1.57 -0.24 0.00 2.10 -1.74 0.26 117.51 120.17 2kom h ILE 500 Ca 0.31 -3.24 0.02 0.00 1.08 0.00 0.00 64.86 63.03 2kom h ILE 500 Cb 0.20 2.77 -0.02 0.00 -1.09 0.00 0.00 36.82 38.68 2kom h ILE 500 CO -0.19 0.89 0.10 -0.61 -1.08 0.00 0.00 178.15 177.26 2kom h GLN 501 N 0.00 0.21 0.07 2.19 -0.00 -0.35 -2.76 115.11 114.47 2kom h GLN 501 Ca -0.02 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.65 58.31 2kom h GLN 501 Cb 1.73 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 29.14 2kom h GLN 501 CO 0.12 0.14 -1.64 -0.44 0.00 0.00 0.00 178.83 177.01 2kom h ASP 502 N 0.22 0.24 -5.15 -0.69 3.32 -1.41 -3.48 116.42 109.46 2kom h ASP 502 Ca 0.10 -0.40 -0.35 0.00 0.02 0.00 0.00 57.03 56.40 2kom h ASP 502 Cb 0.05 -0.08 0.12 0.00 0.22 0.00 0.00 39.33 39.64 2kom h ASP 502 CO -0.09 1.35 -0.59 0.61 -1.72 0.00 0.00 179.24 178.80 2kom n GLY 503 N 1.67 -0.37 0.21 2.75 0.00 0.92 -4.89 105.19 105.48 2kom n GLY 503 Ca -0.18 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.02 2kom n GLY 503 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kom n ARG 504 N -4.40 2.17 -4.73 1.61 3.00 -1.23 -4.98 116.66 108.11 2kom n ARG 504 Ca -0.00 -0.57 -0.25 0.00 -0.00 0.00 0.00 57.85 57.03 2kom n ARG 504 Cb 0.56 -1.07 -0.15 0.00 0.00 0.00 0.00 32.46 31.80 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2kom s LEU 505 N -1.63 2.11 0.13 6.15 2.96 -1.26 -5.00 118.68 122.14 2kom s LEU 505 Ca 0.08 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2kom s LEU 505 Cb 0.08 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2kom s LEU 505 CO 0.25 0.18 0.03 -1.59 -1.32 0.00 0.00 176.35 173.90 2kom s LYS 506 N -0.83 0.95 0.49 1.98 0.00 -1.26 -4.81 119.74 116.25 2kom s LYS 506 Ca 0.07 -1.44 -0.11 0.00 0.00 0.00 0.00 55.97 54.48 2kom s LYS 506 Cb -0.08 0.09 -0.06 0.00 0.00 0.00 0.00 37.83 37.78 2kom s LYS 506 CO 0.01 -0.21 0.88 0.00 0.00 0.00 0.00 175.35 176.03 2kom s ALA 507 N -3.92 3.23 0.00 0.59 0.00 -1.26 -4.30 121.76 116.10 2kom s ALA 507 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2kom s ALA 507 Cb 0.07 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2kom s ALA 507 CO 0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kom n GLY 508 N -1.79 0.88 3.69 0.00 0.00 -0.38 -5.02 105.19 102.58 2kom n GLY 508 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.20 4.49 -0.11 1.61 1.01 -1.26 -4.89 116.67 115.32 2kom s ASP 509 Ca 0.00 -0.86 -0.20 0.00 0.71 0.00 0.00 52.55 52.20 2kom s ASP 509 Cb 0.00 -0.65 -0.04 0.00 1.01 0.00 0.00 42.92 43.24 2kom s ASP 509 CO 0.00 -0.27 0.56 -0.60 0.21 0.00 0.00 175.17 175.07 2kom s ARG 510 N -3.79 4.36 -0.17 8.23 3.52 -0.17 -0.39 118.95 130.54 2kom s ARG 510 Ca 0.36 0.60 -0.23 0.00 -0.13 0.00 0.00 55.73 56.33 2kom s ARG 510 Cb -0.02 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2kom s ARG 510 CO 0.21 0.09 0.72 -1.17 -0.81 0.00 0.00 175.30 174.34 2kom s LEU 511 N 0.81 4.18 -0.24 -0.88 1.98 0.12 0.32 118.68 124.96 2kom s LEU 511 Ca 0.30 1.01 -0.17 0.00 -2.89 0.00 0.00 54.13 52.39 2kom s LEU 511 Cb -0.16 -3.05 -0.14 0.00 0.66 0.00 0.00 46.19 43.50 2kom s LEU 511 CO 0.13 -0.30 -0.17 -0.38 -1.89 0.00 0.00 176.35 173.74 2kom n ILE 512 N 4.60 1.52 -3.58 6.68 2.08 0.17 -4.24 119.36 126.60 2kom n ILE 512 Ca 0.01 -0.21 -0.17 0.00 0.56 0.00 0.00 62.75 62.94 2kom n ILE 512 Cb 0.49 -1.99 -0.07 0.00 -0.75 0.00 0.00 39.64 37.33 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 -2.48 0.96 -0.08 0.38 -1.05 -1.21 -1.88 118.70 113.33 2kom s GLU 513 Ca -0.34 0.26 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 2kom s GLU 513 Cb 0.11 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.27 2kom s GLU 513 CO 0.51 -0.28 -0.09 0.54 0.95 0.00 0.00 175.26 176.89 2kom s VAL 514 N -1.04 0.98 -1.89 1.83 0.11 -0.78 -0.46 120.40 119.16 2kom s VAL 514 Ca -0.10 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2kom s VAL 514 Cb -0.01 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2kom s VAL 514 CO 0.08 0.34 0.00 0.59 -3.33 0.00 0.00 175.10 172.78 2kom n ASN 515 N 4.35 -5.70 0.00 3.54 3.02 0.43 -1.43 115.26 119.47 2kom n ASN 515 Ca -0.18 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2kom n ASN 515 Cb 0.51 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 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 -0.81 0.81 3.67 7.41 0.00 -1.26 -5.02 105.19 109.98 2kom n GLY 516 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.49 5.20 0.20 1.61 1.01 -0.51 -5.05 120.40 120.36 2kom s VAL 517 Ca 0.00 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 2kom s VAL 517 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 2kom s VAL 517 CO 0.00 0.24 0.78 -0.62 0.00 0.00 0.00 175.10 175.51 2kom s ASP 518 N 1.09 7.30 -0.26 3.32 2.15 -1.26 -1.86 116.67 127.14 2kom s ASP 518 Ca 0.19 1.61 -0.03 0.00 0.43 0.00 0.00 52.55 54.75 2kom s ASP 518 Cb -0.15 -2.49 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 2kom s ASP 518 CO 0.08 0.13 -0.25 0.18 -0.17 0.00 0.00 175.17 175.14 2kom n LEU 519 N 1.24 2.67 -4.56 -1.34 4.77 -0.79 -4.65 117.00 114.34 2kom n LEU 519 Ca -0.04 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.62 2kom n LEU 519 Cb 0.49 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 2kom n LEU 519 CO 0.45 0.83 1.43 -0.69 -1.33 0.00 0.00 177.39 178.08 2kom s VAL 520 N -2.52 3.66 0.00 4.08 1.01 -1.26 -0.81 120.40 124.57 2kom s VAL 520 Ca -0.36 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2kom s VAL 520 Cb 0.11 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2kom s VAL 520 CO 0.57 -1.38 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2kom n GLY 521 N 6.75 0.31 3.78 4.51 0.00 -1.26 -4.66 105.19 114.62 2kom n GLY 521 Ca 0.38 0.00 -0.31 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 2.20 0.39 1.61 -2.85 0.01 -4.65 119.74 116.45 2kom s LYS 522 Ca 0.00 -2.30 -0.07 0.00 -1.00 0.00 0.00 55.97 52.61 2kom s LYS 522 Cb 0.00 -1.66 -0.05 0.00 -2.06 0.00 0.00 37.83 34.06 2kom s LYS 522 CO 0.00 -0.39 0.71 -1.12 0.10 0.00 0.00 175.35 174.65 2kom s SER 523 N -3.95 6.41 0.19 0.03 0.01 -1.26 -4.44 113.70 110.69 2kom s SER 523 Ca 0.14 0.92 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 2kom s SER 523 Cb 0.01 -2.23 0.13 0.00 0.21 0.00 0.00 66.02 64.14 2kom s SER 523 CO 0.08 -0.40 1.83 -0.61 0.41 0.00 0.00 173.24 174.55 2kom h GLN 524 N 1.02 0.70 -0.34 12.44 4.15 -1.96 -2.04 115.11 129.08 2kom h GLN 524 Ca -0.47 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 58.97 2kom h GLN 524 Cb 1.20 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2kom h GLN 524 CO 0.64 0.46 0.24 0.93 -1.93 0.00 0.00 178.83 179.17 2kom h GLU 525 N 0.72 0.17 -0.58 1.69 4.39 -1.98 0.46 114.58 119.45 2kom h GLU 525 Ca 0.24 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 2kom h GLU 525 Cb 0.01 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2kom h GLU 525 CO -0.10 0.11 -0.05 0.93 -1.16 0.00 0.00 179.01 178.75 2kom h GLU 526 N 0.18 1.05 -0.02 2.33 5.08 -1.77 -2.11 114.58 119.33 2kom h GLU 526 Ca 0.15 -0.36 -0.23 0.00 -1.00 0.00 0.00 59.36 57.93 2kom h GLU 526 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kom h GLU 526 CO -0.02 1.05 -0.92 0.28 -1.00 0.00 0.00 179.01 178.40 2kom h VAL 527 N 0.95 1.38 -0.40 3.13 2.07 -0.56 -2.33 116.25 120.49 2kom h VAL 527 Ca 0.16 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.29 2kom h VAL 527 Cb 0.61 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2kom h VAL 527 CO 0.04 0.71 0.14 -0.37 0.02 0.00 0.00 177.57 178.11 2kom h VAL 528 N 0.27 1.21 -0.50 2.57 -1.51 -0.13 0.13 116.25 118.28 2kom h VAL 528 Ca -0.08 -0.66 -0.06 0.00 -1.23 0.00 0.00 66.70 64.67 2kom h VAL 528 Cb 1.55 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 2kom h VAL 528 CO 0.16 0.24 0.06 0.28 -1.23 0.00 0.00 177.57 177.08 2kom h SER 529 N 0.51 0.76 -0.60 4.19 0.02 -1.40 0.35 113.55 117.37 2kom h SER 529 Ca 0.13 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2kom h SER 529 Cb 0.23 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2kom h SER 529 CO -0.01 0.79 0.36 0.25 -1.14 0.00 0.00 176.83 177.08 2kom h LEU 530 N 0.76 0.73 -0.11 5.07 5.85 -0.99 -0.97 115.31 125.66 2kom h LEU 530 Ca 0.16 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2kom h LEU 530 Cb 0.38 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2kom h LEU 530 CO 0.01 0.58 -0.02 0.25 -0.34 0.00 0.00 178.44 178.92 2kom h LEU 531 N 0.82 0.21 -1.99 2.25 5.85 0.18 -2.91 115.31 119.71 2kom h LEU 531 Ca 0.22 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.65 2kom h LEU 531 Cb -0.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2kom h LEU 531 CO -0.04 0.52 0.19 0.03 -0.34 0.00 0.00 178.44 178.80 2kom h ARG 532 N -0.11 0.01 -0.09 1.25 2.47 -0.11 -1.72 114.38 116.07 2kom h ARG 532 Ca 0.03 -0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 2kom h ARG 532 Cb 0.43 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2kom h ARG 532 CO 0.01 0.01 -0.51 0.77 0.56 0.00 0.00 179.97 180.81 2kom h SER 533 N 0.01 0.61 -4.02 7.04 0.02 -1.08 -3.51 113.55 112.63 2kom h SER 533 Ca 0.13 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2kom h SER 533 Cb 0.49 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2kom h SER 533 CO -0.00 1.16 -0.59 0.41 -1.14 0.00 0.00 176.83 176.67 2kom n THR 534 N -4.23 -3.35 -1.73 -2.27 -1.04 -0.65 -4.86 114.28 96.14 2kom n THR 534 Ca -0.08 1.41 -0.42 0.00 -2.04 0.00 0.00 64.05 62.92 2kom n THR 534 Cb 0.60 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 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 -1.20 2.77 0.32 -2.82 3.00 -1.26 -4.86 118.16 114.10 2kom n LYS 535 Ca 0.00 0.99 0.21 0.00 -0.00 0.00 0.00 58.31 59.51 2kom n LYS 535 Cb 0.06 -2.82 1.05 0.00 0.00 0.00 0.00 35.03 33.33 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 5.95 0.00 0.00 1.64 2.86 -1.89 0.12 114.93 123.61 2kom h MET 536 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2kom h MET 536 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2kom h MET 536 CO 0.89 0.00 0.00 1.49 1.06 0.00 0.00 176.91 180.35 2kom h GLU 537 N 0.00 0.00 0.00 1.72 4.81 -2.01 -3.46 114.58 115.63 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 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2kom h GLU 537 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2kom n GLY 538 N 0.51 3.35 3.35 1.92 0.00 0.03 -5.00 105.19 109.35 2kom n GLY 538 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.46 3.03 -0.14 2.61 2.01 -1.26 -1.68 115.64 117.75 2kom s THR 539 Ca 0.00 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 2kom s THR 539 Cb 0.00 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2kom s THR 539 CO 0.00 0.52 0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 2kom s VAL 540 N 0.48 4.56 -0.34 3.82 1.01 0.14 -4.67 120.40 125.40 2kom s VAL 540 Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2kom s VAL 540 Cb -0.16 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2kom s VAL 540 CO 0.04 0.53 0.31 -0.44 0.00 0.00 0.00 175.10 175.54 2kom s SER 541 N -0.18 6.13 -0.19 3.32 0.01 -1.26 -0.46 113.70 121.07 2kom s SER 541 Ca 0.06 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 2kom s SER 541 Cb -0.12 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2kom s SER 541 CO 0.02 -0.30 -0.05 -0.76 0.41 0.00 0.00 173.24 172.56 2kom s LEU 542 N 1.88 3.02 -0.28 2.44 2.01 0.23 -0.43 118.68 127.55 2kom s LEU 542 Ca 0.09 -0.29 -0.09 0.00 0.01 0.00 0.00 54.13 53.86 2kom s LEU 542 Cb -0.17 -1.75 -0.02 0.00 0.01 0.00 0.00 46.19 44.26 2kom s LEU 542 CO 0.11 0.07 0.12 -0.22 1.01 0.00 0.00 176.35 177.44 2kom s LEU 543 N 0.96 3.81 0.05 1.79 2.96 0.39 0.26 118.68 128.90 2kom s LEU 543 Ca -0.00 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2kom s LEU 543 Cb -0.15 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2kom s LEU 543 CO 0.01 -0.10 -0.18 0.68 -1.32 0.00 0.00 176.35 175.44 2kom s VAL 544 N 1.64 2.81 -0.26 1.68 -7.23 0.11 0.46 120.40 119.62 2kom s VAL 544 Ca 0.06 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 58.98 2kom s VAL 544 Cb -0.16 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2kom s VAL 544 CO 0.06 0.32 -0.01 0.12 -0.31 0.00 0.00 175.10 175.28 2kom s PHE 545 N -0.95 3.06 -0.25 2.82 5.36 0.15 0.43 117.98 128.61 2kom s PHE 545 Ca 0.15 -1.19 -0.09 0.00 -0.96 0.00 0.00 56.93 54.84 2kom s PHE 545 Cb -0.11 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 2kom s PHE 545 CO 0.06 -0.63 0.11 -0.98 -1.46 0.00 0.00 175.22 172.32 2kom s ARG 546 N 1.43 3.79 -0.03 10.12 1.04 -0.53 -1.00 118.95 133.77 2kom s ARG 546 Ca 0.03 -0.41 -0.06 0.00 -1.04 0.00 0.00 55.73 54.24 2kom s ARG 546 Cb -0.16 -3.44 -0.04 0.00 -2.04 0.00 0.00 34.95 29.27 2kom s ARG 546 CO -0.02 -0.14 0.23 1.14 -0.04 0.00 0.00 175.30 176.47 2kom s GLN 547 N 1.56 3.54 -0.28 3.89 1.03 -1.26 -2.58 119.66 125.55 2kom s GLN 547 Ca 0.06 -0.11 0.00 0.00 0.04 0.00 0.00 55.36 55.36 2kom s GLN 547 Cb -0.15 -3.12 0.05 0.00 0.03 0.00 0.00 33.01 29.82 2kom s GLN 547 CO 0.06 0.69 -0.05 -2.00 -2.54 0.00 0.00 175.29 171.45 2kom s GLU 548 N -1.58 2.37 0.00 9.60 2.12 -1.26 -4.94 118.70 125.00 2kom s GLU 548 Ca 0.24 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.28 2kom s GLU 548 Cb -0.13 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2kom s GLU 548 CO 0.14 -0.59 0.38 -0.25 -0.54 0.00 0.00 175.26 174.40