#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 6.81 -0.03 1.61 1.04 -1.26 -5.01 113.70 116.87 2kom s SER 450 Ca 0.00 1.97 -0.00 0.00 0.48 0.00 0.00 55.95 58.40 2kom s SER 450 Cb 0.00 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 2kom s SER 450 CO 0.00 -0.45 0.01 1.88 0.98 0.00 0.00 173.24 175.66 2kom h TYR 451 N 2.46 -0.00 -2.04 5.02 0.05 -2.12 -3.46 116.97 116.88 2kom h TYR 451 Ca -0.48 -0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.04 2kom h TYR 451 Cb 1.21 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.63 2kom h TYR 451 CO 0.59 -0.00 -0.58 1.21 -1.05 0.00 0.00 178.16 178.33 2kom s ASN 452 N -3.66 1.03 0.22 3.88 2.47 -1.26 -5.15 114.94 112.47 2kom s ASN 452 Ca -0.00 -0.40 0.11 0.00 0.42 0.00 0.00 52.86 53.00 2kom s ASN 452 Cb 0.00 0.76 -0.05 0.00 -1.45 0.00 0.00 41.25 40.52 2kom s ASN 452 CO 0.00 -0.35 -0.22 0.42 -3.72 0.00 0.00 177.10 173.23 2kom s THR 453 N 2.44 2.43 -1.40 -5.21 -4.23 -1.26 -4.75 115.64 103.66 2kom s THR 453 Ca 0.10 -2.13 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 2kom s THR 453 Cb -0.14 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2kom s THR 453 CO -0.26 -0.20 0.51 0.29 -0.54 0.00 0.00 174.62 174.42 2kom n LYS 454 N -0.01 -4.21 -2.55 3.99 5.02 -1.26 -4.97 118.16 114.17 2kom n LYS 454 Ca -0.10 0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 56.63 2kom n LYS 454 Cb 0.57 -5.46 -0.04 0.00 -0.02 0.00 0.00 35.03 30.08 2kom n LYS 454 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kom s LYS 455 N -5.53 4.31 0.30 1.97 -2.85 -1.26 -4.93 119.74 111.75 2kom s LYS 455 Ca 0.25 1.56 0.25 0.00 -1.00 0.00 0.00 55.97 57.03 2kom s LYS 455 Cb -0.11 -2.71 0.56 0.00 -2.06 0.00 0.00 37.83 33.50 2kom s LYS 455 CO 0.31 -0.02 1.66 -0.84 0.10 0.00 0.00 175.35 176.56 2kom h ILE 456 N 2.43 0.00 -3.30 3.79 3.07 -1.95 -3.42 117.51 118.14 2kom h ILE 456 Ca -0.48 -0.72 -0.53 0.00 1.55 0.00 0.00 64.86 64.68 2kom h ILE 456 Cb 1.21 1.68 -0.40 0.00 -0.27 0.00 0.00 36.82 39.05 2kom h ILE 456 CO 0.64 0.00 -0.77 -0.83 -1.05 0.00 0.00 178.15 176.14 2kom s GLY 457 N -3.88 0.79 0.16 0.16 0.00 -1.26 0.03 107.32 103.32 2kom s GLY 457 Ca 0.09 -0.83 0.08 0.00 0.00 0.00 0.00 44.72 44.06 2kom s GLY 457 CO 0.64 1.39 -0.09 -1.59 0.00 0.00 0.00 173.10 173.46 2kom s LYS 458 N 1.80 2.11 0.11 2.90 -2.85 -1.14 -4.98 119.74 117.70 2kom s LYS 458 Ca -0.01 -1.19 0.06 0.00 -1.00 0.00 0.00 55.97 53.84 2kom s LYS 458 Cb -0.17 -2.22 -0.04 0.00 -2.06 0.00 0.00 37.83 33.34 2kom s LYS 458 CO -0.09 0.46 -0.05 1.03 0.10 0.00 0.00 175.35 176.80 2kom s ARG 459 N -2.67 2.31 -0.02 1.78 0.52 -1.26 -1.50 118.95 118.10 2kom s ARG 459 Ca 0.24 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 2kom s ARG 459 Cb -0.09 -2.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.98 2kom s ARG 459 CO 0.15 0.51 -0.10 -0.51 0.02 0.00 0.00 175.30 175.37 2kom s LEU 460 N -2.39 1.88 -0.24 2.53 2.01 0.42 -4.95 118.68 117.95 2kom s LEU 460 Ca 0.24 -0.20 -0.09 0.00 0.01 0.00 0.00 54.13 54.09 2kom s LEU 460 Cb -0.11 -0.58 -0.04 0.00 0.01 0.00 0.00 46.19 45.47 2kom s LEU 460 CO 0.16 0.10 0.11 0.54 1.01 0.00 0.00 176.35 178.26 2kom s ASN 461 N 0.02 5.60 -0.18 2.29 2.20 -1.26 -0.48 114.94 123.12 2kom s ASN 461 Ca -0.00 -0.04 0.01 0.00 -0.94 0.00 0.00 52.86 51.88 2kom s ASN 461 Cb -0.07 -2.00 0.02 0.00 -2.00 0.00 0.00 41.25 37.19 2kom s ASN 461 CO 0.00 0.04 -0.19 -0.63 -2.94 0.00 0.00 177.10 173.38 2kom s ILE 462 N 1.21 2.18 -0.22 0.54 1.01 0.15 -4.94 121.20 121.14 2kom s ILE 462 Ca 0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 2kom s ILE 462 Cb -0.14 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2kom s ILE 462 CO 0.04 0.53 0.13 -1.10 0.00 0.00 0.00 174.94 174.55 2kom s GLN 463 N 1.23 4.08 -0.04 2.79 -0.21 -1.25 0.74 119.66 127.00 2kom s GLN 463 Ca 0.03 -0.27 0.04 0.00 0.02 0.00 0.00 55.36 55.19 2kom s GLN 463 Cb -0.13 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.41 2kom s GLN 463 CO -0.10 0.17 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.90 2kom s LEU 464 N 0.74 2.65 -0.25 2.90 2.96 0.13 -4.89 118.68 122.91 2kom s LEU 464 Ca 0.07 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 2kom s LEU 464 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2kom s LEU 464 CO 0.02 0.34 0.14 -0.75 -1.32 0.00 0.00 176.35 174.77 2kom s LYS 465 N -0.76 3.90 -0.77 1.98 2.47 -1.26 0.20 119.74 125.49 2kom s LYS 465 Ca 0.12 -0.35 -0.26 0.00 -1.56 0.00 0.00 55.97 53.92 2kom s LYS 465 Cb -0.11 -3.50 -0.10 0.00 -1.46 0.00 0.00 37.83 32.66 2kom s LYS 465 CO 0.01 -0.09 2.24 0.21 0.16 0.00 0.00 175.35 177.88 2kom s LYS 466 N 1.44 1.99 0.01 4.03 2.20 -0.06 -4.55 119.74 124.81 2kom s LYS 466 Ca 0.07 0.40 0.06 0.00 -0.36 0.00 0.00 55.97 56.14 2kom s LYS 466 Cb -0.15 -4.81 -0.03 0.00 -1.51 0.00 0.00 37.83 31.33 2kom s LYS 466 CO 0.07 -3.89 -0.19 0.20 -0.36 0.00 0.00 175.35 171.18 2kom s GLY 467 N 10.08 1.50 0.00 5.54 0.00 -1.26 -4.79 107.32 118.40 2kom s GLY 467 Ca 0.85 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2kom s GLY 467 CO 0.09 -0.98 0.00 -0.37 0.00 0.00 0.00 173.10 171.84 2kom n THR 468 N 1.91 0.00 0.51 0.90 5.66 -1.26 -0.36 114.28 121.64 2kom n THR 468 Ca -0.16 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 60.94 2kom n THR 468 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 2kom n THR 468 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kom n GLU 469 N 0.00 0.32 0.00 1.09 2.13 -1.26 -5.06 120.64 117.86 2kom n GLU 469 Ca 0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2kom n GLU 469 Cb 0.00 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kom n GLY 470 N 1.37 -0.28 3.46 8.31 0.00 0.51 -4.79 105.19 113.77 2kom n GLY 470 Ca 0.01 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 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 1.41 -2.73 0.99 4.32 -1.26 0.11 117.00 119.83 2kom n LEU 471 Ca 0.00 0.16 -0.28 0.00 -0.02 0.00 0.00 56.01 55.87 2kom n LEU 471 Cb 0.00 -1.18 -0.01 0.00 -1.62 0.00 0.00 43.42 40.60 2kom n LEU 471 CO 0.00 -0.92 0.27 0.61 -1.22 0.00 0.00 177.39 176.12 2kom n GLY 472 N 6.53 5.83 2.97 -0.72 0.00 -1.26 -4.83 105.19 113.70 2kom n GLY 472 Ca 0.50 -2.76 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.56 0.44 0.17 1.61 -0.71 -1.26 0.26 117.98 114.93 2kom s PHE 473 Ca 0.48 -0.17 0.09 0.00 -1.04 0.00 0.00 56.93 56.29 2kom s PHE 473 Cb 0.34 -0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2kom s PHE 473 CO -0.18 -0.03 -0.13 -1.54 -1.34 0.00 0.00 175.22 172.01 2kom s SER 474 N -0.43 4.11 0.15 1.98 1.04 -0.39 -4.99 113.70 115.17 2kom s SER 474 Ca -0.01 -0.60 0.11 0.00 0.48 0.00 0.00 55.95 55.93 2kom s SER 474 Cb -0.04 -0.65 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 2kom s SER 474 CO -0.00 0.12 -0.25 0.27 0.98 0.00 0.00 173.24 174.36 2kom s ILE 475 N -1.58 2.38 0.06 -1.02 -4.36 -1.26 0.26 121.20 115.67 2kom s ILE 475 Ca 0.23 -1.80 -0.06 0.00 -0.26 0.00 0.00 60.65 58.76 2kom s ILE 475 Cb -0.09 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 2kom s ILE 475 CO 0.14 0.03 0.11 0.28 0.24 0.00 0.00 174.94 175.73 2kom s THR 476 N -1.26 0.15 -0.04 8.37 -1.32 0.12 -4.71 115.64 116.96 2kom s THR 476 Ca 0.17 -1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 59.39 2kom s THR 476 Cb -0.09 -1.15 0.03 0.00 -1.51 0.00 0.00 72.50 69.77 2kom s THR 476 CO 0.08 -0.69 0.07 -0.94 -2.21 0.00 0.00 174.62 170.94 2kom s SER 477 N -2.50 -0.01 0.08 8.08 1.04 -1.26 -0.72 113.70 118.41 2kom s SER 477 Ca 0.00 0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.56 2kom s SER 477 Cb 0.02 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2kom s SER 477 CO -0.08 -0.12 -0.02 0.54 0.98 0.00 0.00 173.24 174.55 2kom n ARG 478 N 3.98 0.03 -3.61 4.02 1.74 -1.26 -5.09 116.66 116.47 2kom n ARG 478 Ca -0.25 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.74 2kom n ARG 478 Cb 0.52 -0.55 -0.03 0.00 -1.02 0.00 0.00 32.46 31.39 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 -5.97 -0.37 -0.78 0.55 2.15 -1.26 -5.08 116.67 105.90 2kom s ASP 479 Ca -0.02 -0.28 -0.26 0.00 0.43 0.00 0.00 52.55 52.42 2kom s ASP 479 Cb 0.00 0.58 0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2kom s ASP 479 CO 0.03 -1.02 1.54 -0.69 -0.17 0.00 0.00 175.17 174.86 2kom s VAL 480 N -3.82 3.64 -0.92 1.11 1.01 -1.26 -4.36 120.40 115.80 2kom s VAL 480 Ca 0.05 0.02 0.26 0.00 0.00 0.00 0.00 61.98 62.32 2kom s VAL 480 Cb -0.01 -4.59 0.12 0.00 0.00 0.00 0.00 36.38 31.90 2kom s VAL 480 CO -0.07 -1.53 1.61 0.35 0.00 0.00 0.00 175.10 175.46 2kom n THR 481 N 6.87 0.11 0.19 3.92 -2.24 -1.26 -4.73 114.28 117.14 2kom n THR 481 Ca 0.18 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2kom n THR 481 Cb 0.50 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2kom n THR 481 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kom n ILE 482 N -1.66 0.00 0.00 2.28 0.13 -1.26 -5.16 119.36 113.68 2kom n ILE 482 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 2kom n ILE 482 Cb 0.36 -0.23 0.00 0.00 -0.84 0.00 0.00 39.64 38.93 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2kom n GLY 483 N -0.11 1.33 0.00 4.50 0.00 -1.26 -5.14 105.19 104.50 2kom n GLY 483 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.13 1.75 3.32 -0.02 0.00 -1.26 -4.35 105.19 104.50 2kom n GLY 484 Ca 0.00 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 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 0.00 4.82 -2.87 1.61 7.64 -0.13 -4.33 113.62 120.36 2kom n SER 485 Ca 0.00 -2.94 -0.09 0.00 1.01 0.00 0.00 58.87 56.85 2kom n SER 485 Cb 0.00 -1.66 0.01 0.00 -1.01 0.00 0.00 64.21 61.55 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 6.85 -3.00 -1.19 -0.43 0.00 -1.26 -4.80 120.51 116.67 2kom n ALA 486 Ca 0.46 1.15 -0.44 0.00 0.00 0.00 0.00 53.44 54.61 2kom n ALA 486 Cb 0.43 -3.72 -0.05 0.00 0.00 0.00 0.00 19.45 16.11 2kom n ALA 486 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kom n PRO 487 N -0.28 0.00 -3.10 0.00 -0.01 -1.26 -4.82 135.00 125.53 2kom n PRO 487 Ca 0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 63.50 63.21 2kom n PRO 487 Cb 0.46 -1.03 -0.05 0.00 -0.01 0.00 0.00 33.50 32.87 2kom n PRO 487 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 2kom s ILE 488 N -0.41 5.06 0.09 4.25 -1.09 -1.26 -4.50 121.20 123.35 2kom s ILE 488 Ca 0.64 1.36 0.06 0.00 -2.23 0.00 0.00 60.65 60.48 2kom s ILE 488 Cb -0.90 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 35.94 2kom s ILE 488 CO 0.46 0.27 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.98 2kom s TYR 489 N 0.71 1.44 -0.24 3.97 2.02 0.10 -0.47 117.35 124.88 2kom s TYR 489 Ca 0.35 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 2kom s TYR 489 Cb -0.17 -0.79 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2kom s TYR 489 CO 0.17 0.13 1.04 0.08 -1.57 0.00 0.00 175.55 175.40 2kom s VAL 490 N -1.45 4.66 -0.05 0.71 1.01 -0.61 0.15 120.40 124.82 2kom s VAL 490 Ca 0.03 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 2kom s VAL 490 Cb -0.09 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 2kom s VAL 490 CO 0.03 -0.22 0.46 0.50 0.00 0.00 0.00 175.10 175.87 2kom h LYS 491 N 7.55 -0.37 -3.81 2.72 1.63 -0.47 -1.92 116.57 121.89 2kom h LYS 491 Ca -0.19 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.53 2kom h LYS 491 Cb 1.06 0.08 -0.15 0.00 -0.60 0.00 0.00 32.23 32.62 2kom h LYS 491 CO 0.99 -0.25 -0.44 1.21 -3.45 0.00 0.00 179.45 177.51 2kom s ASN 492 N -4.90 0.16 -0.33 4.20 2.47 -1.24 -4.61 114.94 110.68 2kom s ASN 492 Ca -0.06 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.61 2kom s ASN 492 Cb 0.01 0.29 0.08 0.00 -1.45 0.00 0.00 41.25 40.18 2kom s ASN 492 CO 0.17 -0.64 0.05 -0.63 -3.72 0.00 0.00 177.10 172.33 2kom s ILE 493 N -3.38 2.75 0.33 -5.21 -1.09 -1.26 -1.27 121.20 112.07 2kom s ILE 493 Ca 0.01 -1.84 -0.29 0.00 -2.23 0.00 0.00 60.65 56.30 2kom s ILE 493 Cb 0.03 -2.78 -0.11 0.00 -1.58 0.00 0.00 42.46 38.02 2kom s ILE 493 CO -0.08 -0.37 1.52 -0.76 -1.23 0.00 0.00 174.94 174.02 2kom s LEU 494 N 1.11 4.34 0.00 2.97 2.01 0.14 -4.88 118.68 124.37 2kom s LEU 494 Ca 0.02 2.95 0.00 0.00 0.01 0.00 0.00 54.13 57.11 2kom s LEU 494 Cb -0.20 -3.65 0.00 0.00 0.01 0.00 0.00 46.19 42.35 2kom s LEU 494 CO -0.04 -0.86 0.43 -0.81 1.01 0.00 0.00 176.35 176.08 2kom n PRO 495 N 1.40 0.67 0.00 1.29 -0.04 -1.26 -3.59 135.00 133.47 2kom n PRO 495 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kom n PRO 495 Cb 0.39 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.02 0.00 0.00 0.54 1.85 -1.26 -4.98 116.66 112.79 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 0.12 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.53 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 1.79 0.29 2.89 0.00 -1.24 -4.28 105.19 104.65 2kom n GLY 497 Ca 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.07 1.01 -0.91 4.61 0.00 0.65 -2.18 119.26 121.37 2kom h ALA 498 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kom h ALA 498 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2kom h ALA 498 CO 0.00 0.24 0.60 0.00 0.00 0.00 0.00 179.25 180.09 2kom h ALA 499 N 1.34 1.46 0.05 0.00 0.00 -1.83 -1.62 119.26 118.65 2kom h ALA 499 Ca 0.32 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.95 2kom h ALA 499 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2kom h ALA 499 CO -0.13 0.43 -1.15 0.97 0.00 0.00 0.00 179.25 179.36 2kom h ILE 500 N 1.10 1.56 -0.83 0.00 2.10 -1.70 0.25 117.51 119.99 2kom h ILE 500 Ca 0.38 -3.23 0.03 0.00 1.08 0.00 0.00 64.86 63.12 2kom h ILE 500 Cb 0.10 2.86 -0.05 0.00 -1.09 0.00 0.00 36.82 38.64 2kom h ILE 500 CO -0.13 0.91 0.53 1.56 -1.08 0.00 0.00 178.15 179.95 2kom h GLN 501 N 0.03 1.01 0.14 2.19 1.08 -0.68 -2.65 115.11 116.22 2kom h GLN 501 Ca -0.08 -0.06 -0.36 0.00 -1.45 0.00 0.00 58.65 56.70 2kom h GLN 501 Cb 1.87 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 29.06 2kom h GLN 501 CO 0.15 0.67 -1.95 -0.44 -0.95 0.00 0.00 178.83 176.32 2kom h ASP 502 N 1.04 0.45 0.00 1.46 3.32 -1.53 -3.48 116.42 117.68 2kom h ASP 502 Ca 0.33 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2kom h ASP 502 Cb -0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2kom h ASP 502 CO -0.11 1.83 0.00 0.61 -1.72 0.00 0.00 179.24 179.85 2kom n GLY 503 N 1.96 2.68 0.28 2.75 0.00 0.87 -4.78 105.19 108.94 2kom n GLY 503 Ca -0.30 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.97 0.00 -5.89 1.61 2.43 -1.89 -3.41 114.38 108.20 2kom h ARG 504 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 2kom h ARG 504 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 2kom h ARG 504 CO 0.00 0.08 -0.18 -1.17 -1.51 0.00 0.00 179.97 177.19 2kom s LEU 505 N -6.95 4.39 0.22 3.80 2.96 -1.26 -5.06 118.68 116.78 2kom s LEU 505 Ca -0.03 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 54.78 2kom s LEU 505 Cb 0.12 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2kom s LEU 505 CO 0.55 0.19 0.13 -1.59 -1.32 0.00 0.00 176.35 174.31 2kom s LYS 506 N -0.35 1.29 0.49 1.98 0.00 -1.26 -4.82 119.74 117.06 2kom s LYS 506 Ca 0.24 -1.69 -0.05 0.00 0.00 0.00 0.00 55.97 54.47 2kom s LYS 506 Cb -0.16 0.12 -0.04 0.00 0.00 0.00 0.00 37.83 37.75 2kom s LYS 506 CO 0.12 -0.38 0.80 0.00 0.00 0.00 0.00 175.35 175.89 2kom s ALA 507 N -4.01 3.39 0.00 0.59 0.00 -1.26 -4.30 121.76 116.16 2kom s ALA 507 Ca 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2kom s ALA 507 Cb 0.07 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2kom s ALA 507 CO 0.13 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2kom n GLY 508 N -2.29 2.58 3.88 0.00 0.00 -0.72 -5.00 105.19 103.64 2kom n GLY 508 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 0.49 5.84 -0.15 1.61 1.01 -1.26 -4.75 116.67 119.45 2kom s ASP 509 Ca 0.00 1.24 -0.20 0.00 0.71 0.00 0.00 52.55 54.30 2kom s ASP 509 Cb 0.00 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 2kom s ASP 509 CO 0.00 -1.09 0.57 -0.60 0.21 0.00 0.00 175.17 174.26 2kom s ARG 510 N -5.24 4.29 -0.19 8.23 3.52 -1.22 -1.57 118.95 126.77 2kom s ARG 510 Ca 0.56 0.57 -0.22 0.00 -0.13 0.00 0.00 55.73 56.51 2kom s ARG 510 Cb -0.11 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2kom s ARG 510 CO 0.52 -0.03 0.67 -1.17 -0.81 0.00 0.00 175.30 174.48 2kom s LEU 511 N 1.22 4.15 -0.26 -0.88 1.98 0.38 -1.13 118.68 124.14 2kom s LEU 511 Ca 0.28 0.90 -0.11 0.00 -2.89 0.00 0.00 54.13 52.31 2kom s LEU 511 Cb -0.16 -2.95 -0.14 0.00 0.66 0.00 0.00 46.19 43.59 2kom s LEU 511 CO 0.12 -0.29 -0.24 -0.38 -1.89 0.00 0.00 176.35 173.67 2kom n ILE 512 N 4.67 1.53 -3.60 6.68 2.08 0.30 -4.25 119.36 126.76 2kom n ILE 512 Ca -0.00 -0.39 -0.16 0.00 0.56 0.00 0.00 62.75 62.76 2kom n ILE 512 Cb 0.50 -1.80 -0.07 0.00 -0.75 0.00 0.00 39.64 37.51 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 -2.50 0.89 -0.10 0.38 -1.05 -1.06 -0.94 118.70 114.32 2kom s GLU 513 Ca -0.36 0.51 0.02 0.00 -0.15 0.00 0.00 54.97 54.99 2kom s GLU 513 Cb 0.12 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.25 2kom s GLU 513 CO 0.53 -0.21 -0.17 0.54 0.95 0.00 0.00 175.26 176.91 2kom s VAL 514 N -0.52 1.56 -1.22 1.83 0.11 -0.97 -0.06 120.40 121.13 2kom s VAL 514 Ca -0.06 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 2kom s VAL 514 Cb -0.03 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 2kom s VAL 514 CO 0.05 0.45 0.00 0.59 -3.33 0.00 0.00 175.10 172.86 2kom n ASN 515 N 3.92 -5.58 0.00 3.54 4.13 0.12 -1.91 115.26 119.47 2kom n ASN 515 Ca -0.20 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.34 2kom n ASN 515 Cb 0.52 -4.17 0.00 0.00 -1.54 0.00 0.00 39.78 34.59 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 0.22 0.67 3.69 7.41 0.00 -1.26 -5.00 105.19 110.91 2kom n GLY 516 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 5.32 0.20 1.61 1.01 -0.80 -5.05 120.40 120.67 2kom s VAL 517 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2kom s VAL 517 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2kom s VAL 517 CO 0.00 0.35 1.10 -0.62 0.00 0.00 0.00 175.10 175.93 2kom s ASP 518 N 0.80 7.26 -0.09 3.32 2.15 -1.26 -2.29 116.67 126.56 2kom s ASP 518 Ca 0.12 2.12 0.19 0.00 0.43 0.00 0.00 52.55 55.42 2kom s ASP 518 Cb -0.13 -2.61 -0.28 0.00 -0.30 0.00 0.00 42.92 39.60 2kom s ASP 518 CO 0.04 -0.21 0.30 0.18 -0.17 0.00 0.00 175.17 175.31 2kom n LEU 519 N 2.18 0.00 0.26 -1.34 4.77 -0.11 -4.42 117.00 118.33 2kom n LEU 519 Ca 0.02 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.13 2kom n LEU 519 Cb 0.46 0.17 0.71 0.00 -2.33 0.00 0.00 43.42 42.43 2kom n LEU 519 CO 0.54 0.17 0.96 0.58 -1.33 0.00 0.00 177.39 178.32 2kom h VAL 520 N 0.00 0.55 -0.42 4.08 2.07 -1.88 -0.45 116.25 120.21 2kom h VAL 520 Ca -0.19 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2kom h VAL 520 Cb 1.39 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 2kom h VAL 520 CO 0.01 0.12 0.03 0.61 0.02 0.00 0.00 177.57 178.37 2kom n GLY 521 N -0.61 3.80 3.34 2.17 0.00 -1.26 -0.96 105.19 111.67 2kom n GLY 521 Ca -0.02 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.88 1.78 0.34 1.61 -2.85 -0.18 -5.02 119.74 112.55 2kom s LYS 522 Ca 0.48 -1.93 0.02 0.00 -1.00 0.00 0.00 55.97 53.54 2kom s LYS 522 Cb 0.38 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.48 2kom s LYS 522 CO 0.11 -0.68 0.53 -1.12 0.10 0.00 0.00 175.35 174.28 2kom s SER 523 N -3.32 6.19 0.21 0.03 0.01 -1.26 -4.84 113.70 110.72 2kom s SER 523 Ca 0.38 0.29 -0.09 0.00 1.31 0.00 0.00 55.95 57.84 2kom s SER 523 Cb 0.02 -1.84 0.32 0.00 0.21 0.00 0.00 66.02 64.72 2kom s SER 523 CO 0.25 -0.34 1.70 1.56 0.41 0.00 0.00 173.24 176.82 2kom h GLN 524 N 0.78 0.25 -0.50 12.44 1.08 -1.92 -1.71 115.11 125.53 2kom h GLN 524 Ca -0.49 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 2kom h GLN 524 Cb 1.23 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 2kom h GLN 524 CO 0.60 0.16 0.31 0.93 -0.95 0.00 0.00 178.83 179.88 2kom h GLU 525 N 0.25 0.66 -0.53 1.46 5.08 -1.98 0.37 114.58 119.89 2kom h GLU 525 Ca 0.33 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 2kom h GLU 525 Cb 0.50 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2kom h GLU 525 CO -0.42 0.46 -0.11 0.93 -1.00 0.00 0.00 179.01 178.87 2kom h GLU 526 N 0.68 1.02 -0.33 2.33 5.08 -1.73 -1.48 114.58 120.14 2kom h GLU 526 Ca 0.18 -0.38 -0.17 0.00 -1.00 0.00 0.00 59.36 57.99 2kom h GLU 526 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2kom h GLU 526 CO -0.04 1.06 -0.45 0.28 -1.00 0.00 0.00 179.01 178.86 2kom h VAL 527 N 0.89 1.28 -0.60 3.13 2.07 -0.63 -1.65 116.25 120.73 2kom h VAL 527 Ca 0.14 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 2kom h VAL 527 Cb 0.67 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2kom h VAL 527 CO 0.05 0.54 -0.02 -0.37 0.02 0.00 0.00 177.57 177.79 2kom h VAL 528 N 0.70 1.27 -0.77 2.57 -1.51 -0.19 0.12 116.25 118.42 2kom h VAL 528 Ca 0.04 -1.18 -0.03 0.00 -1.23 0.00 0.00 66.70 64.30 2kom h VAL 528 Cb 1.05 0.82 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 2kom h VAL 528 CO 0.10 0.43 0.38 -1.28 -1.23 0.00 0.00 177.57 175.97 2kom h SER 529 N 0.98 1.00 -0.71 4.19 0.87 -1.20 0.52 113.55 119.20 2kom h SER 529 Ca 0.17 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2kom h SER 529 Cb 0.59 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2kom h SER 529 CO 0.03 0.84 0.21 0.25 -0.53 0.00 0.00 176.83 177.63 2kom h LEU 530 N 1.10 1.06 -0.29 2.23 5.85 -0.72 -0.26 115.31 124.28 2kom h LEU 530 Ca 0.27 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2kom h LEU 530 Cb 0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2kom h LEU 530 CO -0.04 0.99 -0.02 0.25 -0.34 0.00 0.00 178.44 179.29 2kom h LEU 531 N 1.08 0.52 -1.48 2.25 6.46 0.10 -3.07 115.31 121.17 2kom h LEU 531 Ca 0.23 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2kom h LEU 531 Cb 0.32 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2kom h LEU 531 CO -0.00 0.72 0.03 0.03 -0.62 0.00 0.00 178.44 178.59 2kom h ARG 532 N 0.31 0.37 -0.02 1.25 2.47 0.44 -0.77 114.38 118.42 2kom h ARG 532 Ca 0.08 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 2kom h ARG 532 Cb 0.47 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2kom h ARG 532 CO 0.02 0.37 -0.41 0.77 0.56 0.00 0.00 179.97 181.29 2kom h SER 533 N 0.36 0.05 0.00 7.04 0.02 -1.02 -3.47 113.55 116.53 2kom h SER 533 Ca 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2kom h SER 533 Cb 0.20 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2kom h SER 533 CO 0.00 0.46 0.00 0.41 -1.14 0.00 0.00 176.83 176.56 2kom n THR 534 N -4.05 0.00 0.00 -2.27 -1.04 -0.30 -4.70 114.28 101.92 2kom n THR 534 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2kom n THR 534 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.27 -2.82 3.00 -1.26 -4.74 118.16 112.61 2kom n LYS 535 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.47 2kom n LYS 535 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 35.03 35.67 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 0.00 0.00 0.00 1.64 2.86 -1.93 -2.02 114.93 115.48 2kom h MET 536 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 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 0.05 -0.47 0.39 1.06 0.00 0.00 176.91 177.94 2kom n GLU 537 N -3.17 0.23 -0.95 1.72 4.71 -1.26 -4.92 120.64 117.00 2kom n GLU 537 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 2kom n GLU 537 Cb 0.33 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 2kom n GLU 537 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kom n GLY 538 N 1.36 0.53 3.55 0.62 0.00 -0.76 -4.95 105.19 105.54 2kom n GLY 538 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.35 4.64 -0.18 2.61 2.01 -1.26 -0.88 115.64 120.24 2kom s THR 539 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 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 0.39 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 2kom s VAL 540 N 0.99 3.94 -0.37 3.82 1.01 0.13 -4.72 120.40 125.21 2kom s VAL 540 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2kom s VAL 540 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2kom s VAL 540 CO 0.03 0.46 0.24 -0.44 0.00 0.00 0.00 175.10 175.38 2kom s SER 541 N 0.71 5.89 -0.29 3.32 0.01 -1.26 0.20 113.70 122.28 2kom s SER 541 Ca -0.01 -0.78 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 2kom s SER 541 Cb -0.14 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2kom s SER 541 CO 0.02 -0.35 0.22 -0.76 0.41 0.00 0.00 173.24 172.78 2kom s LEU 542 N 1.64 4.10 -0.28 2.44 2.01 0.23 0.11 118.68 128.92 2kom s LEU 542 Ca 0.04 -0.04 -0.09 0.00 0.01 0.00 0.00 54.13 54.06 2kom s LEU 542 Cb -0.18 -2.16 -0.02 0.00 0.01 0.00 0.00 46.19 43.83 2kom s LEU 542 CO 0.08 -0.10 0.12 -0.22 1.01 0.00 0.00 176.35 177.25 2kom s LEU 543 N 1.80 3.82 0.28 1.79 1.98 0.91 0.33 118.68 129.59 2kom s LEU 543 Ca 0.08 -0.33 0.10 0.00 -2.89 0.00 0.00 54.13 51.09 2kom s LEU 543 Cb -0.16 -1.98 -0.05 0.00 0.66 0.00 0.00 46.19 44.66 2kom s LEU 543 CO 0.11 -0.11 -0.04 0.68 -1.89 0.00 0.00 176.35 175.10 2kom s VAL 544 N 1.63 3.17 -0.09 1.68 -7.23 0.36 -0.54 120.40 119.38 2kom s VAL 544 Ca 0.06 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2kom s VAL 544 Cb -0.16 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2kom s VAL 544 CO 0.06 -0.36 -0.21 0.12 -0.31 0.00 0.00 175.10 174.40 2kom s PHE 545 N -2.38 2.23 -0.13 2.82 2.19 -0.29 -0.44 117.98 121.99 2kom s PHE 545 Ca 0.32 -0.88 -0.01 0.00 0.33 0.00 0.00 56.93 56.69 2kom s PHE 545 Cb -0.06 -1.51 0.03 0.00 -1.31 0.00 0.00 43.02 40.17 2kom s PHE 545 CO 0.19 -0.36 -0.06 0.50 1.83 0.00 0.00 175.22 177.32 2kom s ARG 546 N 0.39 1.42 -0.06 10.12 3.52 -0.56 -3.45 118.95 130.33 2kom s ARG 546 Ca -0.16 -0.32 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 2kom s ARG 546 Cb -0.17 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 2kom s ARG 546 CO 0.07 -0.33 0.13 1.14 -0.81 0.00 0.00 175.30 175.50 2kom s GLN 547 N 1.71 3.32 0.28 5.12 -2.07 -1.26 -2.87 119.66 123.89 2kom s GLN 547 Ca 0.04 -0.29 -0.29 0.00 -1.82 0.00 0.00 55.36 53.00 2kom s GLN 547 Cb -0.13 -3.06 -0.10 0.00 -1.09 0.00 0.00 33.01 28.63 2kom s GLN 547 CO -0.08 0.71 1.18 -1.21 -1.32 0.00 0.00 175.29 174.57 2kom s GLU 548 N -1.42 4.53 0.00 9.60 0.41 0.10 -5.00 118.70 126.92 2kom s GLU 548 Ca 0.20 1.94 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 2kom s GLU 548 Cb -0.12 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.07 2kom s GLU 548 CO 0.10 0.05 0.21 -3.47 -0.49 0.00 0.00 175.26 171.66