#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kom n SER 450 N 0.00 0.23 -3.66 1.61 3.41 -1.26 -4.91 113.62 109.04 2kom n SER 450 Ca 0.00 0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.36 2kom n SER 450 Cb 0.00 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 2kom n SER 450 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2kom s TYR 451 N -1.22 2.11 -0.17 7.33 2.02 -1.26 -4.95 117.35 121.22 2kom s TYR 451 Ca -0.03 -2.63 -0.14 0.00 -0.37 0.00 0.00 57.07 53.90 2kom s TYR 451 Cb 0.00 -1.78 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2kom s TYR 451 CO 0.04 -0.73 0.04 -0.97 -1.57 0.00 0.00 175.55 172.36 2kom h ASN 452 N 6.01 0.00 -3.64 2.29 -1.24 -2.08 -3.46 115.58 113.46 2kom h ASN 452 Ca 0.12 -0.25 -0.64 0.00 0.71 0.00 0.00 56.30 56.25 2kom h ASN 452 Cb 0.87 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 39.78 2kom h ASN 452 CO 0.51 1.05 -0.13 0.42 -1.29 0.00 0.00 177.43 177.99 2kom s THR 453 N -2.24 5.09 -0.60 -3.57 -4.23 -1.26 -5.01 115.64 103.82 2kom s THR 453 Ca -0.20 0.46 -0.18 0.00 -1.18 0.00 0.00 61.69 60.59 2kom s THR 453 Cb 0.03 -3.84 0.11 0.00 1.34 0.00 0.00 72.50 70.14 2kom s THR 453 CO 0.38 -0.04 0.69 -0.54 -0.54 0.00 0.00 174.62 174.57 2kom s LYS 454 N 2.24 3.06 0.67 3.99 3.01 -1.26 -5.05 119.74 126.39 2kom s LYS 454 Ca 0.17 -1.40 -0.06 0.00 -1.01 0.00 0.00 55.97 53.67 2kom s LYS 454 Cb -0.16 -4.29 0.04 0.00 -1.01 0.00 0.00 37.83 32.42 2kom s LYS 454 CO 0.11 -1.52 0.98 0.15 0.51 0.00 0.00 175.35 175.58 2kom s LYS 455 N 2.52 2.43 -0.71 1.68 1.02 -1.26 -4.96 119.74 120.45 2kom s LYS 455 Ca 0.11 -0.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.65 2kom s LYS 455 Cb -0.24 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2kom s LYS 455 CO 0.05 -1.07 1.60 0.42 -0.92 0.00 0.00 175.35 175.43 2kom s ILE 456 N -3.16 3.54 0.00 2.17 1.01 -1.26 -4.59 121.20 118.91 2kom s ILE 456 Ca 0.58 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2kom s ILE 456 Cb -0.11 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.95 2kom s ILE 456 CO 0.45 -1.37 0.00 0.61 0.00 0.00 0.00 174.94 174.63 2kom n GLY 457 N 5.70 3.23 3.90 6.18 0.00 -1.26 -4.84 105.19 118.10 2kom n GLY 457 Ca 0.15 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.88 3.64 -0.14 1.61 1.02 -0.57 -4.85 119.74 118.57 2kom s LYS 458 Ca 0.00 0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2kom s LYS 458 Cb 0.00 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2kom s LYS 458 CO 0.00 0.01 -0.20 1.03 -0.92 0.00 0.00 175.35 175.27 2kom s ARG 459 N -4.07 3.10 -0.04 1.68 0.52 -1.25 -0.51 118.95 118.38 2kom s ARG 459 Ca 0.47 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.91 2kom s ARG 459 Cb -0.10 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.88 2kom s ARG 459 CO 0.35 0.03 -0.19 -0.51 0.02 0.00 0.00 175.30 175.01 2kom s LEU 460 N 0.72 1.98 -0.34 2.53 1.02 0.63 -4.92 118.68 120.29 2kom s LEU 460 Ca -0.08 -0.38 -0.13 0.00 0.02 0.00 0.00 54.13 53.56 2kom s LEU 460 Cb -0.16 -1.05 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 2kom s LEU 460 CO 0.01 0.19 0.26 0.54 0.02 0.00 0.00 176.35 177.37 2kom s ASN 461 N -0.15 6.08 0.02 2.29 4.22 -1.26 -0.62 114.94 125.53 2kom s ASN 461 Ca -0.00 -0.42 0.08 0.00 -2.14 0.00 0.00 52.86 50.38 2kom s ASN 461 Cb -0.11 -2.15 -0.02 0.00 1.28 0.00 0.00 41.25 40.25 2kom s ASN 461 CO 0.01 -0.26 -0.24 -0.63 -2.04 0.00 0.00 177.10 173.95 2kom s ILE 462 N 1.76 1.91 -0.14 0.54 1.01 0.13 -4.95 121.20 121.47 2kom s ILE 462 Ca 0.07 -1.19 0.01 0.00 0.00 0.00 0.00 60.65 59.54 2kom s ILE 462 Cb -0.17 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2kom s ILE 462 CO 0.11 0.39 -0.18 -1.10 0.00 0.00 0.00 174.94 174.16 2kom s GLN 463 N -0.94 3.18 -0.10 2.79 -0.21 -1.26 0.70 119.66 123.82 2kom s GLN 463 Ca 0.10 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.72 2kom s GLN 463 Cb -0.09 -2.53 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 2kom s GLN 463 CO 0.01 0.08 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.58 2kom s LEU 464 N 0.64 2.56 -0.11 2.90 2.01 0.60 -4.90 118.68 122.38 2kom s LEU 464 Ca -0.09 -0.35 -0.02 0.00 0.01 0.00 0.00 54.13 53.68 2kom s LEU 464 Cb -0.16 -1.54 -0.03 0.00 0.01 0.00 0.00 46.19 44.47 2kom s LEU 464 CO 0.02 0.22 -0.02 -0.75 1.01 0.00 0.00 176.35 176.83 2kom s LYS 465 N 0.01 3.20 -0.64 1.70 2.20 -1.26 0.59 119.74 125.54 2kom s LYS 465 Ca -0.05 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 2kom s LYS 465 Cb -0.15 -2.81 -0.12 0.00 -1.51 0.00 0.00 37.83 33.25 2kom s LYS 465 CO 0.05 0.53 2.48 1.63 -0.36 0.00 0.00 175.35 179.68 2kom n LYS 466 N 2.66 0.74 -4.47 4.03 5.02 0.32 -4.58 118.16 121.88 2kom n LYS 466 Ca -0.18 -0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 55.85 2kom n LYS 466 Cb 0.53 -2.94 -0.15 0.00 -0.02 0.00 0.00 35.03 32.44 2kom n LYS 466 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kom s GLY 467 N 11.19 0.59 0.00 0.72 0.00 -1.26 -4.75 107.32 113.80 2kom s GLY 467 Ca 1.08 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2kom s GLY 467 CO 0.31 -0.20 0.00 2.41 0.00 0.00 0.00 173.10 175.62 2kom n THR 468 N 3.15 0.00 1.04 0.90 -1.04 -1.26 -0.66 114.28 116.41 2kom n THR 468 Ca -0.17 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 2kom n THR 468 Cb 0.55 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.11 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 0.94 0.00 -2.82 -0.58 -1.19 -5.03 120.64 111.96 2kom n GLU 469 Ca 0.00 -0.74 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 2kom n GLU 469 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 1.42 0.12 3.48 0.62 0.00 0.17 -4.75 105.19 106.25 2kom n GLY 470 Ca 0.09 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 0.75 -3.01 0.99 4.77 -1.26 0.13 117.00 119.38 2kom n LEU 471 Ca 0.00 0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 2kom n LEU 471 Cb 0.00 -1.04 -0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2kom n LEU 471 CO 0.00 -0.86 0.69 0.61 -1.33 0.00 0.00 177.39 176.50 2kom n GLY 472 N 6.53 5.83 3.05 -0.72 0.00 -1.26 -4.78 105.19 113.83 2kom n GLY 472 Ca 0.59 -2.69 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.80 -0.13 0.31 1.61 -0.71 -1.26 -0.71 117.98 113.29 2kom s PHE 473 Ca 0.47 0.30 0.10 0.00 -1.04 0.00 0.00 56.93 56.76 2kom s PHE 473 Cb 0.31 0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 2kom s PHE 473 CO -0.19 -0.13 -0.05 -1.54 -1.34 0.00 0.00 175.22 171.97 2kom s SER 474 N -0.23 4.09 0.20 1.98 1.04 -0.36 -4.97 113.70 115.45 2kom s SER 474 Ca -0.03 -0.93 0.08 0.00 0.48 0.00 0.00 55.95 55.55 2kom s SER 474 Cb -0.03 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 2kom s SER 474 CO 0.00 -0.10 -0.15 0.27 0.98 0.00 0.00 173.24 174.24 2kom s ILE 475 N -2.47 1.76 0.03 -1.02 -4.36 -1.26 0.51 121.20 114.38 2kom s ILE 475 Ca 0.33 -2.18 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 2kom s ILE 475 Cb -0.03 -2.02 0.01 0.00 1.25 0.00 0.00 42.46 41.68 2kom s ILE 475 CO 0.18 -0.56 0.25 0.28 0.24 0.00 0.00 174.94 175.33 2kom s THR 476 N -2.84 0.09 -0.09 8.37 -1.32 0.58 -4.62 115.64 115.81 2kom s THR 476 Ca 0.22 -0.74 -0.02 0.00 -1.21 0.00 0.00 61.69 59.93 2kom s THR 476 Cb -0.01 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2kom s THR 476 CO 0.07 -0.41 0.02 -0.94 -2.21 0.00 0.00 174.62 171.15 2kom s SER 477 N -1.91 5.35 0.00 8.08 1.04 -1.26 -0.10 113.70 124.90 2kom s SER 477 Ca -0.07 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2kom s SER 477 Cb -0.02 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2kom s SER 477 CO -0.02 0.38 0.00 0.54 0.98 0.00 0.00 173.24 175.12 2kom n ARG 478 N 2.10 0.00 -2.63 4.02 5.12 -1.15 -4.93 116.66 119.19 2kom n ARG 478 Ca -0.19 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.30 2kom n ARG 478 Cb 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.84 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 0.00 5.05 -4.76 0.55 2.03 -1.26 -4.92 116.55 113.24 2kom n ASP 479 Ca 0.00 -3.00 -0.41 0.00 0.52 0.00 0.00 54.79 51.90 2kom n ASP 479 Cb 0.00 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 38.80 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 1.70 2.83 0.18 5.18 0.11 -1.26 -4.43 120.40 124.71 2kom s VAL 480 Ca 0.44 0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 60.25 2kom s VAL 480 Cb 0.03 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2kom s VAL 480 CO 0.01 0.16 0.37 0.42 -3.33 0.00 0.00 175.10 172.73 2kom s THR 481 N -0.68 5.22 -0.26 5.04 -4.23 -1.17 -4.97 115.64 114.58 2kom s THR 481 Ca 0.52 -0.36 -0.28 0.00 -1.18 0.00 0.00 61.69 60.39 2kom s THR 481 Cb -0.39 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2kom s THR 481 CO 0.48 -0.13 2.02 0.27 -0.54 0.00 0.00 174.62 176.72 2kom s ILE 482 N -1.82 3.23 0.00 2.99 -4.36 -1.26 -2.99 121.20 116.99 2kom s ILE 482 Ca 0.38 0.23 0.00 0.00 -0.26 0.00 0.00 60.65 61.00 2kom s ILE 482 Cb -0.11 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.30 2kom s ILE 482 CO 0.29 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.89 2kom n GLY 483 N 5.59 2.27 0.00 6.27 0.00 -1.26 -4.93 105.19 113.13 2kom n GLY 483 Ca 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.15 3.54 -0.02 0.00 -1.16 -5.06 105.19 103.64 2kom n GLY 484 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kom n GLY 484 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kom s SER 485 N -0.46 6.69 -0.32 1.61 0.01 -1.26 -4.93 113.70 115.03 2kom s SER 485 Ca 0.00 -2.02 -0.25 0.00 1.31 0.00 0.00 55.95 54.99 2kom s SER 485 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2kom s SER 485 CO 0.00 -1.25 0.88 0.00 0.41 0.00 0.00 173.24 173.28 2kom s ALA 486 N 4.03 3.50 0.26 1.44 0.00 -1.26 -3.06 121.76 126.66 2kom s ALA 486 Ca 0.46 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2kom s ALA 486 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2kom s ALA 486 CO -0.03 -1.36 1.44 -2.14 0.00 0.00 0.00 175.76 173.68 2kom s PRO 487 N 3.22 4.26 -0.13 0.00 0.02 -1.26 -4.79 135.00 136.31 2kom s PRO 487 Ca 0.36 2.32 -0.16 0.00 0.02 0.00 0.00 61.00 63.54 2kom s PRO 487 Cb -0.13 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 2kom s PRO 487 CO 0.14 -0.43 0.40 0.42 -0.33 0.00 0.00 177.00 177.20 2kom s ILE 488 N -0.10 5.23 0.13 2.83 -1.09 -1.26 -2.94 121.20 124.00 2kom s ILE 488 Ca 0.59 0.78 0.07 0.00 -2.23 0.00 0.00 60.65 59.85 2kom s ILE 488 Cb -0.42 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2kom s ILE 488 CO 0.45 0.37 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.05 2kom s TYR 489 N 0.46 1.57 -0.08 3.97 2.02 0.86 -0.01 117.35 126.13 2kom s TYR 489 Ca 0.22 -0.50 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 2kom s TYR 489 Cb -0.14 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 2kom s TYR 489 CO 0.08 0.20 1.32 0.08 -1.57 0.00 0.00 175.55 175.65 2kom s VAL 490 N -1.84 4.07 -0.08 0.71 1.01 -0.19 -0.31 120.40 123.77 2kom s VAL 490 Ca 0.09 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 2kom s VAL 490 Cb -0.07 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 2kom s VAL 490 CO 0.04 -0.06 -0.01 0.50 0.00 0.00 0.00 175.10 175.57 2kom h LYS 491 N 8.04 0.00 -4.16 2.72 3.64 -0.20 -2.88 116.57 123.74 2kom h LYS 491 Ca -0.33 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.92 2kom h LYS 491 Cb 1.15 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 2kom h LYS 491 CO 0.93 0.00 -0.52 1.21 -2.27 0.00 0.00 179.45 178.79 2kom s ASN 492 N -4.99 0.24 -0.24 4.20 3.84 -1.24 -4.69 114.94 112.06 2kom s ASN 492 Ca -0.01 -1.00 0.02 0.00 0.21 0.00 0.00 52.86 52.07 2kom s ASN 492 Cb 0.00 0.32 0.06 0.00 -0.55 0.00 0.00 41.25 41.09 2kom s ASN 492 CO 0.01 -0.75 -0.08 -0.63 -2.79 0.00 0.00 177.10 172.86 2kom s ILE 493 N -3.98 1.78 0.10 -5.21 -1.09 -1.26 -1.22 121.20 110.32 2kom s ILE 493 Ca 0.17 -1.38 -0.32 0.00 -2.23 0.00 0.00 60.65 56.89 2kom s ILE 493 Cb 0.06 -1.98 -0.12 0.00 -1.58 0.00 0.00 42.46 38.84 2kom s ILE 493 CO -0.02 -0.06 1.79 0.18 -1.23 0.00 0.00 174.94 175.59 2kom n LEU 494 N 4.58 3.75 -0.57 2.97 4.32 0.11 -4.85 117.00 127.32 2kom n LEU 494 Ca -0.13 1.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.87 2kom n LEU 494 Cb 0.43 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 2kom n LEU 494 CO 0.19 0.04 0.16 -0.81 -1.22 0.00 0.00 177.39 175.76 2kom n PRO 495 N 5.34 0.56 0.00 3.23 -0.04 -1.26 -2.30 135.00 140.53 2kom n PRO 495 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kom n PRO 495 Cb 0.34 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.28 0.00 -0.08 0.54 1.85 -1.26 -5.00 116.66 112.99 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 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.57 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 0.48 0.36 2.89 0.00 -0.97 -3.15 105.19 104.79 2kom n GLY 497 Ca 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.40 1.17 -0.88 4.61 0.00 0.11 -2.57 119.26 120.31 2kom h ALA 498 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kom h ALA 498 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 2kom h ALA 498 CO 0.00 0.66 0.56 0.00 0.00 0.00 0.00 179.25 180.47 2kom h ALA 499 N 1.28 1.20 0.02 0.00 0.00 -1.78 -0.78 119.26 119.21 2kom h ALA 499 Ca 0.31 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 2kom h ALA 499 Cb 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kom h ALA 499 CO -0.05 0.34 -1.02 0.97 0.00 0.00 0.00 179.25 179.49 2kom h ILE 500 N 1.04 1.66 -0.70 0.00 2.10 -1.72 0.60 117.51 120.50 2kom h ILE 500 Ca 0.37 -3.27 0.01 0.00 1.08 0.00 0.00 64.86 63.06 2kom h ILE 500 Cb 0.12 2.82 -0.04 0.00 -1.09 0.00 0.00 36.82 38.63 2kom h ILE 500 CO -0.16 0.94 0.46 1.56 -1.08 0.00 0.00 178.15 179.87 2kom h GLN 501 N 0.02 0.90 0.00 2.19 1.08 -0.84 -3.10 115.11 115.36 2kom h GLN 501 Ca -0.03 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 2kom h GLN 501 Cb 1.76 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 2kom h GLN 501 CO 0.14 0.59 -0.53 0.22 -0.95 0.00 0.00 178.83 178.30 2kom h ASP 502 N 0.92 0.00 0.00 1.46 3.58 -1.25 -3.49 116.42 117.64 2kom h ASP 502 Ca 0.26 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2kom h ASP 502 Cb -0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kom h ASP 502 CO -0.07 1.16 0.00 0.61 -2.88 0.00 0.00 179.24 178.07 2kom n GLY 503 N 1.55 3.01 0.23 -0.78 0.00 0.21 -4.90 105.19 104.51 2kom n GLY 503 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.31 -5.96 1.61 3.08 -1.92 -3.38 114.38 108.12 2kom h ARG 504 Ca 0.00 -0.09 -0.59 0.00 0.07 0.00 0.00 59.98 59.37 2kom h ARG 504 Cb 0.00 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 29.91 2kom h ARG 504 CO 0.00 0.51 0.74 -1.17 -1.07 0.00 0.00 179.97 178.97 2kom s LEU 505 N -8.66 3.87 0.51 3.04 2.96 -1.26 -5.00 118.68 114.14 2kom s LEU 505 Ca -0.06 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2kom s LEU 505 Cb 0.15 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 44.16 2kom s LEU 505 CO 0.75 -1.48 0.24 -1.59 -1.32 0.00 0.00 176.35 172.96 2kom s LYS 506 N 4.56 2.23 0.25 1.98 -2.85 -1.26 -4.68 119.74 119.96 2kom s LYS 506 Ca 0.31 -2.11 -0.15 0.00 -1.00 0.00 0.00 55.97 53.02 2kom s LYS 506 Cb -0.12 -1.90 -0.08 0.00 -2.06 0.00 0.00 37.83 33.67 2kom s LYS 506 CO 0.16 -0.45 0.67 0.00 0.10 0.00 0.00 175.35 175.83 2kom s ALA 507 N -2.77 3.43 0.00 0.59 0.00 -1.26 -4.14 121.76 117.61 2kom s ALA 507 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2kom s ALA 507 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2kom s ALA 507 CO 0.16 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2kom n GLY 508 N 0.19 2.02 3.88 0.00 0.00 -1.09 -5.01 105.19 105.18 2kom n GLY 508 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.43 5.67 -0.02 1.61 1.01 -1.26 -4.73 116.67 118.52 2kom s ASP 509 Ca 0.00 1.21 -0.09 0.00 0.71 0.00 0.00 52.55 54.39 2kom s ASP 509 Cb 0.00 -2.08 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 2kom s ASP 509 CO 0.00 -1.21 0.28 -0.60 0.21 0.00 0.00 175.17 173.86 2kom s ARG 510 N -5.31 3.64 -0.15 8.23 3.52 -0.60 -1.02 118.95 127.27 2kom s ARG 510 Ca 0.57 0.05 -0.19 0.00 -0.13 0.00 0.00 55.73 56.03 2kom s ARG 510 Cb -0.11 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2kom s ARG 510 CO 0.52 0.68 0.55 -0.51 -0.81 0.00 0.00 175.30 175.73 2kom s LEU 511 N -1.44 4.22 -0.23 -0.88 2.01 0.98 -0.21 118.68 123.13 2kom s LEU 511 Ca 0.24 0.83 -0.06 0.00 0.01 0.00 0.00 54.13 55.15 2kom s LEU 511 Cb -0.14 -2.79 -0.12 0.00 0.01 0.00 0.00 46.19 43.15 2kom s LEU 511 CO 0.13 -0.12 -0.25 -0.38 1.01 0.00 0.00 176.35 176.73 2kom n ILE 512 N 4.15 1.26 -3.73 -0.59 5.41 0.17 -4.27 119.36 121.77 2kom n ILE 512 Ca -0.04 -0.39 -0.12 0.00 1.00 0.00 0.00 62.75 63.20 2kom n ILE 512 Cb 0.51 -1.58 -0.07 0.00 -0.71 0.00 0.00 39.64 37.79 2kom n ILE 512 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2kom s GLU 513 N -2.43 0.85 -0.06 0.38 4.04 -1.12 -2.65 118.70 117.72 2kom s GLU 513 Ca -0.31 -0.48 -0.03 0.00 0.04 0.00 0.00 54.97 54.19 2kom s GLU 513 Cb 0.10 0.37 0.04 0.00 0.02 0.00 0.00 34.13 34.66 2kom s GLU 513 CO 0.45 -0.28 0.14 0.54 -1.84 0.00 0.00 175.26 174.26 2kom s VAL 514 N -2.61 -0.05 -0.92 1.83 0.11 -1.01 -0.55 120.40 117.20 2kom s VAL 514 Ca -0.05 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2kom s VAL 514 Cb -0.01 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2kom s VAL 514 CO -0.04 0.07 0.00 -3.20 -3.33 0.00 0.00 175.10 168.61 2kom n ASN 515 N 4.14 -5.09 0.00 3.54 4.05 0.14 -2.07 115.26 119.97 2kom n ASN 515 Ca -0.26 0.21 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2kom n ASN 515 Cb 0.52 -3.35 0.00 0.00 1.23 0.00 0.00 39.78 38.18 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kom n GLY 516 N -0.53 0.89 3.31 8.20 0.00 -1.26 -4.82 105.19 110.98 2kom n GLY 516 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 2.00 0.38 1.61 1.01 -0.88 -5.12 120.40 117.40 2kom s VAL 517 Ca 0.00 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.48 2kom s VAL 517 Cb 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 2kom s VAL 517 CO 0.00 0.40 1.08 -0.62 0.00 0.00 0.00 175.10 175.97 2kom s ASP 518 N -1.00 6.79 -0.15 3.32 -1.08 -1.26 -2.41 116.67 120.87 2kom s ASP 518 Ca 0.10 2.15 -0.01 0.00 -0.52 0.00 0.00 52.55 54.27 2kom s ASP 518 Cb -0.10 -2.60 -0.09 0.00 -1.46 0.00 0.00 42.92 38.67 2kom s ASP 518 CO 0.01 -0.48 -0.15 0.18 0.52 0.00 0.00 175.17 175.25 2kom n LEU 519 N 0.18 2.47 0.22 -1.34 4.77 -1.08 -4.43 117.00 117.79 2kom n LEU 519 Ca 0.04 -0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 2kom n LEU 519 Cb 0.48 -0.51 0.51 0.00 -2.33 0.00 0.00 43.42 41.57 2kom n LEU 519 CO 0.48 0.64 0.83 0.58 -1.33 0.00 0.00 177.39 178.58 2kom h VAL 520 N -0.16 0.88 0.00 4.08 2.07 -1.87 -0.66 116.25 120.59 2kom h VAL 520 Ca -0.36 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2kom h VAL 520 Cb 1.48 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2kom h VAL 520 CO -0.11 0.25 0.00 1.23 0.02 0.00 0.00 177.57 178.96 2kom h GLY 521 N 1.21 0.00 -0.47 2.17 0.00 -1.94 -3.41 103.07 100.63 2kom h GLY 521 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 2kom h GLY 521 CO 0.03 0.00 -0.17 0.58 0.00 0.00 0.00 176.54 176.99 2kom n LYS 522 N -2.86 1.05 -2.71 4.80 2.85 -0.25 -5.02 118.16 116.01 2kom n LYS 522 Ca 0.04 -1.98 -0.28 0.00 -1.05 0.00 0.00 58.31 55.04 2kom n LYS 522 Cb 0.47 0.24 -0.01 0.00 -0.65 0.00 0.00 35.03 35.08 2kom n LYS 522 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2kom s SER 523 N -2.83 6.32 0.13 -5.58 0.01 -1.26 -4.82 113.70 105.67 2kom s SER 523 Ca 0.16 0.96 -0.19 0.00 1.31 0.00 0.00 55.95 58.19 2kom s SER 523 Cb -0.01 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2kom s SER 523 CO 0.10 -0.53 1.78 -0.61 0.41 0.00 0.00 173.24 174.40 2kom h GLN 524 N 0.49 0.30 -0.02 12.44 -0.00 -1.91 -2.27 115.11 124.14 2kom h GLN 524 Ca -0.47 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.07 2kom h GLN 524 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.60 2kom h GLN 524 CO 0.62 0.20 -0.42 0.93 0.00 0.00 0.00 178.83 180.16 2kom h GLU 525 N 0.31 0.04 -0.77 1.69 5.08 -2.00 -1.91 114.58 117.02 2kom h GLU 525 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2kom h GLU 525 Cb -0.02 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2kom h GLU 525 CO -0.03 0.45 0.51 0.93 -1.00 0.00 0.00 179.01 179.87 2kom h GLU 526 N 0.03 1.01 -0.45 2.33 5.08 -1.82 -1.45 114.58 119.31 2kom h GLU 526 Ca -0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 2kom h GLU 526 Cb 0.76 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2kom h GLU 526 CO 0.06 0.67 -0.05 0.28 -1.00 0.00 0.00 179.01 178.97 2kom h VAL 527 N 1.04 1.25 -0.31 3.13 2.07 -0.96 -0.47 116.25 121.99 2kom h VAL 527 Ca 0.28 -1.06 -0.17 0.00 0.82 0.00 0.00 66.70 66.57 2kom h VAL 527 Cb -0.12 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2kom h VAL 527 CO -0.06 0.37 -0.47 -0.37 0.02 0.00 0.00 177.57 177.05 2kom h VAL 528 N 0.71 1.28 -0.69 2.57 -1.51 -1.14 -0.56 116.25 116.91 2kom h VAL 528 Ca 0.13 -1.66 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 2kom h VAL 528 Cb 0.50 1.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2kom h VAL 528 CO 0.03 0.54 0.38 -1.28 -1.23 0.00 0.00 177.57 176.00 2kom h SER 529 N 0.66 0.84 -0.56 4.19 0.87 -0.99 0.20 113.55 118.77 2kom h SER 529 Ca 0.03 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2kom h SER 529 Cb 1.06 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2kom h SER 529 CO 0.11 0.68 0.17 0.25 -0.53 0.00 0.00 176.83 177.50 2kom h LEU 530 N 0.96 0.82 -0.42 2.23 5.85 -0.77 -2.84 115.31 121.14 2kom h LEU 530 Ca 0.24 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2kom h LEU 530 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2kom h LEU 530 CO -0.04 0.82 0.10 0.25 -0.34 0.00 0.00 178.44 179.22 2kom h LEU 531 N 0.78 0.64 -1.76 2.25 6.46 -0.17 -3.14 115.31 120.36 2kom h LEU 531 Ca 0.18 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2kom h LEU 531 Cb 0.30 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2kom h LEU 531 CO -0.00 0.71 -0.16 0.03 -0.62 0.00 0.00 178.44 178.39 2kom h ARG 532 N 0.54 0.00 0.09 1.25 2.47 -0.47 -3.13 114.38 115.13 2kom h ARG 532 Ca 0.13 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.67 2kom h ARG 532 Cb 0.33 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2kom h ARG 532 CO 0.00 0.16 -0.86 0.66 0.56 0.00 0.00 179.97 180.49 2kom h SER 533 N 0.00 0.31 -4.16 7.04 4.64 -1.47 -3.51 113.55 116.40 2kom h SER 533 Ca -0.00 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 2kom h SER 533 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2kom h SER 533 CO 0.02 1.39 -0.97 0.41 -0.87 0.00 0.00 176.83 176.81 2kom n THR 534 N -4.19 -5.72 -1.74 2.95 -1.04 -1.19 -4.90 114.28 98.46 2kom n THR 534 Ca -0.18 2.64 -0.35 0.00 -2.04 0.00 0.00 64.05 64.13 2kom n THR 534 Cb 0.77 -3.49 0.06 0.00 -1.82 0.00 0.00 70.33 65.84 2kom n THR 534 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2kom s LYS 535 N -2.59 2.61 0.47 -2.82 -2.85 -1.26 -4.89 119.74 108.41 2kom s LYS 535 Ca 0.00 1.72 0.20 0.00 -1.00 0.00 0.00 55.97 56.89 2kom s LYS 535 Cb 0.00 -1.89 1.21 0.00 -2.06 0.00 0.00 37.83 35.08 2kom s LYS 535 CO 0.00 -1.46 1.96 1.98 0.10 0.00 0.00 175.35 177.93 2kom h MET 536 N 0.26 0.22 0.00 1.78 1.85 -1.94 0.16 114.93 117.26 2kom h MET 536 Ca -0.49 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 2kom h MET 536 Cb 1.29 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.27 2kom h MET 536 CO 0.53 0.14 0.00 0.93 -0.40 0.00 0.00 176.91 178.11 2kom h GLU 537 N 0.23 0.00 0.00 0.39 3.07 -2.02 -3.45 114.58 112.80 2kom h GLU 537 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2kom h GLU 537 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 2kom h GLU 537 CO -0.06 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.96 2kom n GLY 538 N -0.93 3.13 3.61 -3.84 0.00 0.04 -4.97 105.19 102.23 2kom n GLY 538 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.57 4.72 -0.03 2.61 2.01 -1.26 -0.52 115.64 121.60 2kom s THR 539 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.97 2kom s THR 539 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2kom s THR 539 CO 0.00 0.45 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 2kom s VAL 540 N 0.48 3.50 -0.07 3.82 1.01 0.20 -4.76 120.40 124.58 2kom s VAL 540 Ca 0.03 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 2kom s VAL 540 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2kom s VAL 540 CO 0.01 0.51 0.50 -0.55 0.00 0.00 0.00 175.10 175.57 2kom s SER 541 N -1.04 6.79 -0.19 3.32 0.15 -1.26 -0.29 113.70 121.18 2kom s SER 541 Ca 0.14 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.74 2kom s SER 541 Cb -0.11 -2.30 0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2kom s SER 541 CO 0.04 0.08 -0.18 -0.76 1.20 0.00 0.00 173.24 173.62 2kom s LEU 542 N 0.13 2.24 -0.28 3.45 2.01 0.22 0.27 118.68 126.71 2kom s LEU 542 Ca 0.27 -0.73 -0.09 0.00 0.01 0.00 0.00 54.13 53.59 2kom s LEU 542 Cb -0.16 -1.44 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 2kom s LEU 542 CO 0.13 -0.04 0.12 -0.22 1.01 0.00 0.00 176.35 177.36 2kom s LEU 543 N 1.30 3.85 0.14 1.79 2.96 0.29 0.20 118.68 129.21 2kom s LEU 543 Ca 0.03 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 2kom s LEU 543 Cb -0.14 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2kom s LEU 543 CO -0.12 -0.12 -0.16 0.68 -1.32 0.00 0.00 176.35 175.32 2kom s VAL 544 N 1.63 2.92 -0.27 1.68 -7.23 0.21 0.43 120.40 119.77 2kom s VAL 544 Ca 0.05 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 2kom s VAL 544 Cb -0.16 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2kom s VAL 544 CO 0.06 0.01 0.02 0.12 -0.31 0.00 0.00 175.10 175.00 2kom s PHE 545 N -1.37 3.09 -0.21 2.82 5.36 0.71 -0.27 117.98 128.10 2kom s PHE 545 Ca 0.20 -1.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.05 2kom s PHE 545 Cb -0.10 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 2kom s PHE 545 CO 0.12 -0.61 -0.10 1.03 -1.46 0.00 0.00 175.22 174.20 2kom s ARG 546 N 1.45 3.06 -0.21 10.12 0.52 0.33 -1.55 118.95 132.67 2kom s ARG 546 Ca 0.03 -0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 2kom s ARG 546 Cb -0.16 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2kom s ARG 546 CO -0.01 -0.27 0.57 -1.14 0.02 0.00 0.00 175.30 174.48 2kom s GLN 547 N 1.36 4.17 -0.21 3.54 -0.44 -1.26 -1.51 119.66 125.31 2kom s GLN 547 Ca 0.04 0.49 -0.29 0.00 -2.50 0.00 0.00 55.36 53.09 2kom s GLN 547 Cb -0.15 -3.59 0.01 0.00 -1.64 0.00 0.00 33.01 27.64 2kom s GLN 547 CO -0.07 -0.24 1.03 -1.83 0.50 0.00 0.00 175.29 174.68 2kom s GLU 548 N 1.92 4.29 0.00 1.67 -1.05 -1.26 -5.04 118.70 119.23 2kom s GLU 548 Ca 0.25 1.36 0.00 0.00 -0.15 0.00 0.00 54.97 56.43 2kom s GLU 548 Cb -0.16 -3.62 0.00 0.00 -0.44 0.00 0.00 34.13 29.91 2kom s GLU 548 CO 0.10 -0.56 0.00 -0.25 0.95 0.00 0.00 175.26 175.49