#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 -6.61 -4.56 1.61 7.64 -1.26 -4.81 113.62 105.62 2kom n SER 450 Ca 0.00 1.05 -0.41 0.00 1.01 0.00 0.00 58.87 60.53 2kom n SER 450 Cb 0.00 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.57 2kom n SER 450 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2kom s TYR 451 N -0.36 2.55 -0.17 1.43 5.04 -1.26 -4.83 117.35 119.76 2kom s TYR 451 Ca 0.00 -0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 53.65 2kom s TYR 451 Cb 0.00 -4.69 0.07 0.00 0.35 0.00 0.00 41.96 37.69 2kom s TYR 451 CO 0.00 -1.91 0.14 1.21 -1.34 0.00 0.00 175.55 173.66 2kom s ASN 452 N 4.93 1.77 0.64 4.32 2.47 -1.26 -5.15 114.94 122.66 2kom s ASN 452 Ca 0.48 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.42 2kom s ASN 452 Cb 0.01 0.05 0.08 0.00 -1.45 0.00 0.00 41.25 39.93 2kom s ASN 452 CO -0.06 -0.33 0.90 0.42 -3.72 0.00 0.00 177.10 174.31 2kom s THR 453 N 2.23 2.37 -1.08 -5.21 -4.23 -1.26 -4.98 115.64 103.46 2kom s THR 453 Ca 0.04 -0.62 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 2kom s THR 453 Cb -0.15 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.00 2kom s THR 453 CO -0.10 0.00 1.51 -0.54 -0.54 0.00 0.00 174.62 174.96 2kom s LYS 454 N -4.97 3.68 -0.34 3.99 -0.14 -1.26 -4.95 119.74 115.76 2kom s LYS 454 Ca 0.62 -1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 53.61 2kom s LYS 454 Cb -0.08 -5.39 0.02 0.00 -1.68 0.00 0.00 37.83 30.70 2kom s LYS 454 CO 0.42 -2.21 1.07 0.21 -0.76 0.00 0.00 175.35 174.07 2kom s LYS 455 N 4.77 4.01 0.34 1.68 2.20 -1.26 -4.91 119.74 126.57 2kom s LYS 455 Ca 0.48 0.98 0.09 0.00 -0.36 0.00 0.00 55.97 57.16 2kom s LYS 455 Cb 0.01 -3.76 0.62 0.00 -1.51 0.00 0.00 37.83 33.19 2kom s LYS 455 CO -0.06 -0.96 1.79 -0.84 -0.36 0.00 0.00 175.35 174.93 2kom h ILE 456 N 5.80 1.27 -2.17 5.43 3.07 -1.92 -3.44 117.51 125.53 2kom h ILE 456 Ca -0.21 -1.27 0.07 0.00 1.55 0.00 0.00 64.86 64.99 2kom h ILE 456 Cb 1.06 1.58 -0.01 0.00 -0.27 0.00 0.00 36.82 39.18 2kom h ILE 456 CO 1.04 0.38 0.28 0.61 -1.05 0.00 0.00 178.15 179.41 2kom n GLY 457 N -0.44 1.03 3.14 0.16 0.00 -1.26 -2.96 105.19 104.85 2kom n GLY 457 Ca -0.01 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 2kom n GLY 457 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kom s LYS 458 N -2.03 1.87 -0.17 1.61 2.20 0.96 -4.84 119.74 119.34 2kom s LYS 458 Ca 0.11 -0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 55.01 2kom s LYS 458 Cb -0.02 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.65 2kom s LYS 458 CO 0.04 0.23 0.16 1.03 -0.36 0.00 0.00 175.35 176.44 2kom s ARG 459 N 0.10 4.03 -0.06 4.03 0.52 -1.26 -0.09 118.95 126.22 2kom s ARG 459 Ca -0.05 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 2kom s ARG 459 Cb -0.12 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2kom s ARG 459 CO 0.03 0.41 -0.16 -1.17 0.02 0.00 0.00 175.30 174.43 2kom s LEU 460 N 0.03 1.84 -0.35 2.53 2.96 0.85 -4.90 118.68 121.64 2kom s LEU 460 Ca 0.11 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 2kom s LEU 460 Cb -0.12 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 2kom s LEU 460 CO 0.00 0.11 0.31 0.54 -1.32 0.00 0.00 176.35 175.99 2kom s ASN 461 N 0.31 6.12 -0.10 3.68 2.20 -1.26 -0.10 114.94 125.79 2kom s ASN 461 Ca -0.10 -0.40 0.02 0.00 -0.94 0.00 0.00 52.86 51.45 2kom s ASN 461 Cb -0.14 -2.17 -0.02 0.00 -2.00 0.00 0.00 41.25 36.93 2kom s ASN 461 CO 0.04 -0.32 -0.15 -0.63 -2.94 0.00 0.00 177.10 173.10 2kom s ILE 462 N 1.87 2.90 -0.17 0.54 1.01 0.22 -4.91 121.20 122.65 2kom s ILE 462 Ca 0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2kom s ILE 462 Cb -0.17 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2kom s ILE 462 CO 0.11 0.55 0.01 -1.10 0.00 0.00 0.00 174.94 174.51 2kom s GLN 463 N -0.03 3.79 0.11 2.79 -0.21 -1.26 0.73 119.66 125.58 2kom s GLN 463 Ca -0.04 -0.45 0.07 0.00 0.02 0.00 0.00 55.36 54.96 2kom s GLN 463 Cb -0.14 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 2kom s GLN 463 CO 0.04 0.21 -0.10 -0.51 -2.12 0.00 0.00 175.29 172.81 2kom s LEU 464 N 0.48 3.04 -0.11 2.90 2.01 -0.40 -4.91 118.68 121.70 2kom s LEU 464 Ca -0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 54.13 53.72 2kom s LEU 464 Cb -0.14 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 44.20 2kom s LEU 464 CO 0.02 0.18 -0.01 -0.75 1.01 0.00 0.00 176.35 176.79 2kom s LYS 465 N -2.22 3.24 -1.06 1.70 2.20 -1.25 -0.73 119.74 121.62 2kom s LYS 465 Ca 0.21 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 55.15 2kom s LYS 465 Cb -0.11 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 2kom s LYS 465 CO 0.14 0.54 1.90 0.21 -0.36 0.00 0.00 175.35 177.78 2kom s LYS 466 N -0.43 2.65 0.00 4.03 2.20 0.54 -4.43 119.74 124.31 2kom s LYS 466 Ca 0.08 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 2kom s LYS 466 Cb -0.12 -5.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.01 2kom s LYS 466 CO 0.02 -3.53 0.00 0.41 -0.36 0.00 0.00 175.35 171.89 2kom n GLY 467 N 6.31 0.79 0.30 5.54 0.00 -1.26 -4.78 105.19 112.10 2kom n GLY 467 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2kom n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h THR 468 N 0.00 0.29 -0.01 2.61 1.03 -1.90 -3.29 112.91 111.65 2kom h THR 468 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2kom h THR 468 Cb 0.00 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 2kom h THR 468 CO 0.00 0.05 -0.57 -0.62 -0.01 0.00 0.00 175.52 174.36 2kom n GLU 469 N -5.27 0.67 0.00 0.00 4.71 -1.26 -5.06 120.64 114.43 2kom n GLU 469 Ca -0.10 -0.52 0.00 0.00 -0.01 0.00 0.00 57.16 56.53 2kom n GLU 469 Cb 0.31 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kom n GLY 470 N 1.43 0.99 3.52 0.62 0.00 -1.24 -4.64 105.19 105.88 2kom n GLY 470 Ca 0.08 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 0.58 -3.54 0.99 4.77 -1.26 0.13 117.00 118.68 2kom n LEU 471 Ca 0.00 -0.35 -0.38 0.00 -0.03 0.00 0.00 56.01 55.25 2kom n LEU 471 Cb 0.00 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2kom n LEU 471 CO 0.00 -1.32 1.04 0.61 -1.33 0.00 0.00 177.39 176.39 2kom n GLY 472 N 6.21 5.81 3.45 -0.72 0.00 -1.26 -4.77 105.19 113.91 2kom n GLY 472 Ca 0.57 -2.65 -0.14 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 -3.82 -0.57 0.25 1.61 -0.71 -1.26 -0.36 117.98 113.11 2kom s PHE 473 Ca 0.40 1.31 0.11 0.00 -1.04 0.00 0.00 56.93 57.71 2kom s PHE 473 Cb 0.18 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 42.18 2kom s PHE 473 CO -0.09 -0.35 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.17 2kom s SER 474 N -0.10 3.85 0.23 1.98 0.01 -0.19 -4.97 113.70 114.50 2kom s SER 474 Ca -0.03 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 56.47 2kom s SER 474 Cb -0.03 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 2kom s SER 474 CO 0.03 0.05 -0.13 0.27 0.41 0.00 0.00 173.24 173.87 2kom s ILE 475 N -2.23 2.89 0.04 1.44 -4.36 -1.26 0.43 121.20 118.15 2kom s ILE 475 Ca 0.28 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 2kom s ILE 475 Cb -0.06 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 2kom s ILE 475 CO 0.15 -0.26 -0.02 0.28 0.24 0.00 0.00 174.94 175.33 2kom s THR 476 N -2.08 0.17 0.04 8.37 -1.32 0.90 -4.62 115.64 117.11 2kom s THR 476 Ca 0.27 -1.43 0.02 0.00 -1.21 0.00 0.00 61.69 59.34 2kom s THR 476 Cb -0.07 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2kom s THR 476 CO 0.15 -0.79 -0.07 -0.94 -2.21 0.00 0.00 174.62 170.76 2kom s SER 477 N -2.33 0.79 0.20 8.08 1.04 -1.26 0.00 113.70 120.22 2kom s SER 477 Ca -0.02 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.88 2kom s SER 477 Cb 0.01 0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 2kom s SER 477 CO -0.06 -0.21 0.04 -0.13 0.98 0.00 0.00 173.24 173.85 2kom s ARG 478 N -1.55 1.21 0.33 4.02 0.52 -1.24 -5.04 118.95 117.19 2kom s ARG 478 Ca -0.10 -1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 53.21 2kom s ARG 478 Cb -0.10 -0.24 -0.11 0.00 0.52 0.00 0.00 34.95 35.02 2kom s ARG 478 CO 0.00 -0.19 1.53 0.16 0.02 0.00 0.00 175.30 176.82 2kom s ASP 479 N -3.22 6.38 -0.20 0.23 -4.77 -1.26 -4.21 116.67 109.62 2kom s ASP 479 Ca 0.29 2.98 -0.11 0.00 -3.30 0.00 0.00 52.55 52.41 2kom s ASP 479 Cb 0.07 -2.65 -0.05 0.00 -1.09 0.00 0.00 42.92 39.20 2kom s ASP 479 CO 0.07 -0.87 0.16 0.54 0.70 0.00 0.00 175.17 175.77 2kom s VAL 480 N -0.57 5.38 0.00 2.11 0.11 -1.26 -4.90 120.40 121.27 2kom s VAL 480 Ca 0.58 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 2kom s VAL 480 Cb -0.47 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2kom s VAL 480 CO 0.55 0.41 0.77 0.41 -3.33 0.00 0.00 175.10 173.92 2kom n THR 481 N 3.68 0.54 0.06 5.04 -1.04 -1.26 -4.74 114.28 116.56 2kom n THR 481 Ca -0.15 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.05 61.21 2kom n THR 481 Cb 0.52 0.73 -0.13 0.00 -1.82 0.00 0.00 70.33 69.63 2kom n THR 481 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2kom h ILE 482 N 1.37 1.50 0.00 12.58 5.03 -2.02 -3.48 117.51 132.50 2kom h ILE 482 Ca 0.00 -3.19 0.00 0.00 -0.12 0.00 0.00 64.86 61.55 2kom h ILE 482 Cb 0.73 2.81 0.00 0.00 -3.03 0.00 0.00 36.82 37.33 2kom h ILE 482 CO 0.00 0.88 0.00 0.61 -0.68 0.00 0.00 178.15 178.96 2kom n GLY 483 N 1.45 0.59 0.00 5.37 0.00 -1.26 -5.14 105.19 106.19 2kom n GLY 483 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2kom n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kom n GLY 484 N 0.00 3.16 2.80 -0.02 0.00 -1.26 -5.10 105.19 104.78 2kom n GLY 484 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 2kom n GLY 484 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kom s SER 485 N 2.00 4.06 -0.05 1.61 0.15 -1.26 -4.93 113.70 115.27 2kom s SER 485 Ca 0.00 -3.41 -0.03 0.00 0.70 0.00 0.00 55.95 53.21 2kom s SER 485 Cb 0.00 -1.37 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2kom s SER 485 CO 0.00 -0.15 0.06 0.00 1.20 0.00 0.00 173.24 174.35 2kom n ALA 486 N 2.54 -1.73 -1.85 5.45 0.00 -1.26 -2.96 120.51 120.69 2kom n ALA 486 Ca 0.17 0.61 -0.41 0.00 0.00 0.00 0.00 53.44 53.81 2kom n ALA 486 Cb 0.36 -1.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 2kom n ALA 486 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kom s PRO 487 N -0.22 4.59 -0.05 0.00 0.04 -1.26 -4.65 135.00 133.44 2kom s PRO 487 Ca -0.07 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 2kom s PRO 487 Cb 0.00 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2kom s PRO 487 CO 0.20 0.11 0.40 0.42 0.04 0.00 0.00 177.00 178.17 2kom s ILE 488 N -0.84 5.11 0.15 0.56 -1.09 -1.26 -3.72 121.20 120.11 2kom s ILE 488 Ca 0.47 0.81 0.05 0.00 -2.23 0.00 0.00 60.65 59.74 2kom s ILE 488 Cb -0.32 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 2kom s ILE 488 CO 0.40 0.50 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.19 2kom s TYR 489 N -0.49 1.29 -0.14 3.97 2.02 0.10 -0.57 117.35 123.53 2kom s TYR 489 Ca 0.23 -0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.91 2kom s TYR 489 Cb -0.16 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2kom s TYR 489 CO 0.11 0.10 1.25 0.08 -1.57 0.00 0.00 175.55 175.52 2kom s VAL 490 N -3.16 4.28 -0.13 0.71 1.01 -0.36 -0.07 120.40 122.67 2kom s VAL 490 Ca 0.16 1.56 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 2kom s VAL 490 Cb 0.01 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2kom s VAL 490 CO 0.01 -0.10 0.13 0.50 0.00 0.00 0.00 175.10 175.64 2kom h LYS 491 N 8.01 0.00 -3.48 2.72 3.64 -0.28 -3.38 116.57 123.79 2kom h LYS 491 Ca -0.28 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.98 2kom h LYS 491 Cb 1.12 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.76 2kom h LYS 491 CO 0.95 0.29 -0.38 1.21 -2.27 0.00 0.00 179.45 179.24 2kom s ASN 492 N -5.84 -0.00 -0.34 4.20 2.47 -1.21 -4.93 114.94 109.29 2kom s ASN 492 Ca -0.10 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 52.87 2kom s ASN 492 Cb 0.00 0.29 0.07 0.00 -1.45 0.00 0.00 41.25 40.16 2kom s ASN 492 CO 0.24 -0.53 0.07 -0.63 -3.72 0.00 0.00 177.10 172.53 2kom s ILE 493 N -2.30 3.11 0.06 -5.21 -1.09 -1.26 -1.02 121.20 113.49 2kom s ILE 493 Ca -0.07 -1.61 -0.30 0.00 -2.23 0.00 0.00 60.65 56.43 2kom s ILE 493 Cb -0.02 -2.91 -0.09 0.00 -1.58 0.00 0.00 42.46 37.85 2kom s ILE 493 CO -0.02 -0.31 1.86 -0.76 -1.23 0.00 0.00 174.94 174.47 2kom s LEU 494 N 1.21 4.40 0.00 2.97 1.02 0.51 -4.84 118.68 123.96 2kom s LEU 494 Ca -0.00 2.64 0.00 0.00 0.02 0.00 0.00 54.13 56.79 2kom s LEU 494 Cb -0.21 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.46 2kom s LEU 494 CO -0.02 -1.01 0.45 -0.81 0.02 0.00 0.00 176.35 174.99 2kom n PRO 495 N 6.64 0.49 0.00 1.29 -0.04 -1.26 -1.99 135.00 140.13 2kom n PRO 495 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kom n PRO 495 Cb 0.40 -1.25 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 0.67 0.00 -0.53 0.54 1.85 -1.26 -4.97 116.66 112.96 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 0.23 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 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 1.53 0.23 2.89 0.00 -0.84 -4.12 105.19 104.88 2kom n GLY 497 Ca 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.33 0.54 -0.40 4.61 0.00 0.86 0.65 119.26 125.18 2kom h ALA 498 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2kom h ALA 498 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2kom h ALA 498 CO 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.00 2kom h ALA 499 N 1.55 0.48 0.15 0.00 0.00 -1.81 0.29 119.26 119.92 2kom h ALA 499 Ca 0.30 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.96 2kom h ALA 499 Cb 0.48 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kom h ALA 499 CO -0.52 -0.23 -1.37 0.97 0.00 0.00 0.00 179.25 178.10 2kom h ILE 500 N 0.33 1.36 -0.40 0.00 -0.00 -1.68 0.24 117.51 117.35 2kom h ILE 500 Ca 0.18 -2.93 -0.12 0.00 -0.00 0.00 0.00 64.86 62.00 2kom h ILE 500 Cb 0.15 2.91 -0.01 0.00 -0.00 0.00 0.00 36.82 39.86 2kom h ILE 500 CO -0.17 0.86 -0.22 1.56 -0.00 0.00 0.00 178.15 180.17 2kom h GLN 501 N 0.08 0.79 0.01 2.19 1.08 -0.39 -2.71 115.11 116.16 2kom h GLN 501 Ca -0.19 -0.32 -0.28 0.00 -1.45 0.00 0.00 58.65 56.42 2kom h GLN 501 Cb 2.02 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 29.37 2kom h GLN 501 CO 0.20 0.94 -1.55 -0.44 -0.95 0.00 0.00 178.83 177.03 2kom h ASP 502 N 0.69 0.02 -4.03 1.46 3.32 -0.57 -3.49 116.42 113.83 2kom h ASP 502 Ca 0.10 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 2kom h ASP 502 Cb 0.74 -0.01 0.09 0.00 0.22 0.00 0.00 39.33 40.38 2kom h ASP 502 CO 0.06 1.03 -0.43 0.61 -1.72 0.00 0.00 179.24 178.79 2kom n GLY 503 N 1.52 -0.00 0.01 2.75 0.00 0.79 -4.96 105.19 105.30 2kom n GLY 503 Ca -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2kom n GLY 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kom n ARG 504 N -2.78 0.60 -4.19 1.61 5.12 -0.87 -5.00 116.66 111.15 2kom n ARG 504 Ca -0.15 0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.47 2kom n ARG 504 Cb 0.59 -1.05 -0.08 0.00 -1.16 0.00 0.00 32.46 30.76 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2kom s LEU 505 N -5.00 3.43 0.24 0.55 2.96 -1.25 -5.12 118.68 114.48 2kom s LEU 505 Ca -0.03 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2kom s LEU 505 Cb 0.01 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2kom s LEU 505 CO 0.06 0.20 0.13 -1.59 -1.32 0.00 0.00 176.35 173.83 2kom s LYS 506 N -2.08 1.34 -1.08 1.98 0.00 -1.26 -4.59 119.74 114.05 2kom s LYS 506 Ca 0.24 -1.72 -0.17 0.00 0.00 0.00 0.00 55.97 54.32 2kom s LYS 506 Cb -0.12 0.03 0.14 0.00 0.00 0.00 0.00 37.83 37.88 2kom s LYS 506 CO 0.16 -0.37 1.32 0.00 0.00 0.00 0.00 175.35 176.46 2kom s ALA 507 N -3.93 3.58 0.00 0.59 0.00 -1.26 -3.75 121.76 116.99 2kom s ALA 507 Ca 0.38 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 49.35 2kom s ALA 507 Cb 0.07 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2kom s ALA 507 CO 0.14 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.34 2kom n GLY 508 N 5.01 0.00 3.50 0.00 0.00 -1.26 -5.00 105.19 107.43 2kom n GLY 508 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 2kom n GLY 508 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kom s ASP 509 N 0.00 3.88 -0.08 1.61 1.01 -1.25 -4.98 116.67 116.86 2kom s ASP 509 Ca 0.00 -0.67 -0.15 0.00 0.71 0.00 0.00 52.55 52.44 2kom s ASP 509 Cb 0.00 -0.51 -0.05 0.00 1.01 0.00 0.00 42.92 43.37 2kom s ASP 509 CO 0.00 0.13 0.37 -0.60 0.21 0.00 0.00 175.17 175.28 2kom s ARG 510 N -2.60 4.09 -0.04 8.23 3.52 -1.25 -1.22 118.95 129.67 2kom s ARG 510 Ca 0.22 0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.84 2kom s ARG 510 Cb -0.09 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2kom s ARG 510 CO 0.12 0.43 0.85 -0.51 -0.81 0.00 0.00 175.30 175.38 2kom s LEU 511 N -0.21 4.33 -0.17 -0.88 2.01 0.26 -1.12 118.68 122.90 2kom s LEU 511 Ca 0.21 1.42 -0.02 0.00 0.01 0.00 0.00 54.13 55.75 2kom s LEU 511 Cb -0.15 -3.33 -0.09 0.00 0.01 0.00 0.00 46.19 42.62 2kom s LEU 511 CO 0.09 -0.21 -0.17 -0.38 1.01 0.00 0.00 176.35 176.69 2kom n ILE 512 N 3.90 0.94 -3.51 -0.59 2.08 0.12 -4.22 119.36 118.07 2kom n ILE 512 Ca 0.03 -0.31 -0.14 0.00 0.56 0.00 0.00 62.75 62.88 2kom n ILE 512 Cb 0.51 -1.32 -0.04 0.00 -0.75 0.00 0.00 39.64 38.04 2kom n ILE 512 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2kom s GLU 513 N -2.32 1.12 -0.07 0.38 2.12 -1.05 -2.31 118.70 116.56 2kom s GLU 513 Ca -0.23 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 2kom s GLU 513 Cb 0.07 0.52 0.04 0.00 0.26 0.00 0.00 34.13 35.02 2kom s GLU 513 CO 0.35 -0.42 0.15 0.54 -0.54 0.00 0.00 175.26 175.34 2kom s VAL 514 N -2.49 -0.15 -0.55 3.70 0.11 -0.96 0.45 120.40 120.52 2kom s VAL 514 Ca -0.05 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2kom s VAL 514 Cb -0.01 -0.27 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2kom s VAL 514 CO -0.02 0.11 0.00 0.59 -3.33 0.00 0.00 175.10 172.45 2kom n ASN 515 N 4.71 -5.51 0.00 3.54 3.02 0.87 -2.09 115.26 119.80 2kom n ASN 515 Ca -0.17 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2kom n ASN 515 Cb 0.51 -3.47 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 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 0.17 1.07 3.30 7.41 0.00 -1.26 -4.99 105.19 110.88 2kom n GLY 516 Ca -0.05 0.00 -0.33 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 2.65 0.24 1.61 1.01 -0.89 -5.10 120.40 117.92 2kom s VAL 517 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2kom s VAL 517 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2kom s VAL 517 CO 0.00 0.53 0.78 -0.62 0.00 0.00 0.00 175.10 175.79 2kom s ASP 518 N 0.47 7.15 -0.26 3.32 -1.08 -1.26 -2.27 116.67 122.74 2kom s ASP 518 Ca -0.12 1.54 -0.15 0.00 -0.52 0.00 0.00 52.55 53.30 2kom s ASP 518 Cb -0.16 -2.46 -0.14 0.00 -1.46 0.00 0.00 42.92 38.70 2kom s ASP 518 CO 0.05 0.02 -0.23 0.18 0.52 0.00 0.00 175.17 175.71 2kom n LEU 519 N 0.75 1.98 -4.55 -1.34 4.77 -0.98 -4.64 117.00 112.99 2kom n LEU 519 Ca -0.02 0.34 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 2kom n LEU 519 Cb 0.51 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 2kom n LEU 519 CO 0.44 0.53 1.50 -0.69 -1.33 0.00 0.00 177.39 177.84 2kom s VAL 520 N -2.48 3.42 0.00 4.08 1.01 -1.26 -0.59 120.40 124.58 2kom s VAL 520 Ca -0.37 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2kom s VAL 520 Cb 0.13 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2kom s VAL 520 CO 0.52 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2kom n GLY 521 N 6.03 0.89 3.89 4.51 0.00 -1.16 -4.76 105.19 114.59 2kom n GLY 521 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 2.26 0.43 1.61 -2.85 0.24 -5.07 119.74 116.36 2kom s LYS 522 Ca 0.00 -2.03 -0.04 0.00 -1.00 0.00 0.00 55.97 52.91 2kom s LYS 522 Cb 0.00 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.67 2kom s LYS 522 CO 0.00 -0.57 0.70 -1.12 0.10 0.00 0.00 175.35 174.45 2kom s SER 523 N -4.24 6.29 0.18 0.03 0.01 -1.26 -4.92 113.70 109.79 2kom s SER 523 Ca 0.33 0.77 -0.13 0.00 1.31 0.00 0.00 55.95 58.23 2kom s SER 523 Cb -0.02 -2.17 0.09 0.00 0.21 0.00 0.00 66.02 64.12 2kom s SER 523 CO 0.20 -0.46 1.83 -0.61 0.41 0.00 0.00 173.24 174.61 2kom h GLN 524 N 0.51 0.79 -0.72 12.44 4.15 -1.95 -2.61 115.11 127.71 2kom h GLN 524 Ca -0.48 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 58.96 2kom h GLN 524 Cb 1.21 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 2kom h GLN 524 CO 0.62 0.55 0.47 0.93 -1.93 0.00 0.00 178.83 179.47 2kom h GLU 525 N 0.79 0.65 -0.74 1.69 3.07 -1.98 0.26 114.58 118.32 2kom h GLU 525 Ca 0.21 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.00 2kom h GLU 525 Cb -0.04 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 2kom h GLU 525 CO -0.04 0.43 0.33 0.93 -1.40 0.00 0.00 179.01 179.26 2kom h GLU 526 N 0.67 1.07 0.01 2.33 5.08 -1.87 -0.99 114.58 120.88 2kom h GLU 526 Ca 0.32 -0.16 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 2kom h GLU 526 Cb 0.38 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kom h GLU 526 CO -0.11 0.84 -0.98 0.28 -1.00 0.00 0.00 179.01 178.04 2kom h VAL 527 N 1.06 1.38 -0.58 3.13 2.07 -0.71 -2.74 116.25 119.85 2kom h VAL 527 Ca 0.25 -2.43 -0.07 0.00 0.82 0.00 0.00 66.70 65.27 2kom h VAL 527 Cb 0.15 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2kom h VAL 527 CO -0.03 0.73 0.08 -0.37 0.02 0.00 0.00 177.57 178.01 2kom h VAL 528 N 0.26 1.26 -0.94 2.57 -1.51 -0.22 0.93 116.25 118.60 2kom h VAL 528 Ca -0.10 -1.00 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 2kom h VAL 528 Cb 1.63 0.78 -0.05 0.00 -2.13 0.00 0.00 31.29 31.52 2kom h VAL 528 CO 0.18 0.36 0.56 -1.28 -1.23 0.00 0.00 177.57 176.17 2kom h SER 529 N 0.86 1.14 -0.40 4.19 0.87 -1.24 0.41 113.55 119.38 2kom h SER 529 Ca 0.17 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.60 2kom h SER 529 Cb 0.43 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2kom h SER 529 CO 0.01 0.87 0.05 0.25 -0.53 0.00 0.00 176.83 177.49 2kom h LEU 530 N 1.30 0.71 -0.15 2.23 5.85 -1.11 0.75 115.31 124.90 2kom h LEU 530 Ca 0.34 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 2kom h LEU 530 Cb -0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 2kom h LEU 530 CO -0.06 0.74 -0.24 0.25 -0.34 0.00 0.00 178.44 178.79 2kom h LEU 531 N 0.72 0.47 -1.02 2.25 5.85 0.35 -2.72 115.31 121.20 2kom h LEU 531 Ca 0.15 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2kom h LEU 531 Cb 0.36 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2kom h LEU 531 CO 0.01 0.91 0.66 0.03 -0.34 0.00 0.00 178.44 179.71 2kom h ARG 532 N 0.04 1.29 -0.60 1.25 2.47 0.12 -2.07 114.38 116.88 2kom h ARG 532 Ca 0.01 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 2kom h ARG 532 Cb 0.81 -0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2kom h ARG 532 CO 0.05 0.85 0.13 1.03 0.56 0.00 0.00 179.97 182.60 2kom h SER 533 N 1.33 0.92 0.00 7.04 0.87 -0.87 -3.46 113.55 119.38 2kom h SER 533 Ca 0.37 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2kom h SER 533 Cb -0.12 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.60 2kom h SER 533 CO -0.09 0.93 0.00 0.41 -0.53 0.00 0.00 176.83 177.55 2kom n THR 534 N -4.34 0.00 0.00 2.23 -1.04 -0.78 -4.62 114.28 105.74 2kom n THR 534 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2kom n THR 534 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 -0.19 -2.82 4.81 -1.26 -4.81 118.16 113.88 2kom n LYS 535 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2kom n LYS 535 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 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 0.99 0.00 1.64 2.86 -1.97 -3.35 114.93 115.10 2kom h MET 536 Ca 0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2kom h MET 536 Cb 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2kom h MET 536 CO 0.00 1.00 0.00 0.39 1.06 0.00 0.00 176.91 179.36 2kom n GLU 537 N -4.23 0.00 0.00 1.72 4.71 -1.26 -5.03 120.64 116.55 2kom n GLU 537 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 2kom n GLU 537 Cb 0.35 -0.75 0.00 0.00 -1.01 0.00 0.00 31.44 30.03 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 1.05 0.02 3.61 0.62 0.00 -1.26 -4.84 105.19 104.40 2kom n GLY 538 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2kom n GLY 538 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kom s THR 539 N 0.00 5.15 -0.14 2.61 -4.23 -1.25 -0.34 115.64 117.43 2kom s THR 539 Ca 0.00 0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 61.13 2kom s THR 539 Cb 0.00 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2kom s THR 539 CO 0.00 0.15 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.52 2kom s VAL 540 N 2.08 4.09 -0.35 2.29 1.01 0.09 -4.89 120.40 124.72 2kom s VAL 540 Ca 0.17 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 2kom s VAL 540 Cb -0.16 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 2kom s VAL 540 CO 0.10 0.51 0.44 -0.94 0.00 0.00 0.00 175.10 175.21 2kom s SER 541 N 0.11 6.25 -0.24 3.32 1.04 -1.26 -1.28 113.70 121.65 2kom s SER 541 Ca 0.00 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 2kom s SER 541 Cb -0.13 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2kom s SER 541 CO 0.02 -0.43 0.10 -0.76 0.98 0.00 0.00 173.24 173.15 2kom s LEU 542 N 2.22 3.71 -0.29 2.42 2.01 0.22 -0.09 118.68 128.88 2kom s LEU 542 Ca 0.15 -0.07 -0.09 0.00 0.01 0.00 0.00 54.13 54.13 2kom s LEU 542 Cb -0.16 -1.99 -0.02 0.00 0.01 0.00 0.00 46.19 44.03 2kom s LEU 542 CO 0.13 0.02 0.14 -0.22 1.01 0.00 0.00 176.35 177.43 2kom s LEU 543 N 1.29 3.89 0.29 1.79 2.96 0.17 0.71 118.68 129.77 2kom s LEU 543 Ca 0.06 -0.31 0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2kom s LEU 543 Cb -0.15 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2kom s LEU 543 CO 0.05 -0.11 -0.08 0.68 -1.32 0.00 0.00 176.35 175.56 2kom s VAL 544 N 1.65 2.83 -0.25 1.68 -7.23 0.85 0.11 120.40 120.04 2kom s VAL 544 Ca 0.06 -2.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 2kom s VAL 544 Cb -0.16 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2kom s VAL 544 CO 0.06 -0.34 -0.01 0.12 -0.31 0.00 0.00 175.10 174.63 2kom s PHE 545 N -2.45 3.04 -0.11 2.82 5.36 -0.28 -0.10 117.98 126.26 2kom s PHE 545 Ca 0.32 -1.06 -0.03 0.00 -0.96 0.00 0.00 56.93 55.20 2kom s PHE 545 Cb -0.04 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2kom s PHE 545 CO 0.18 -0.59 0.03 1.03 -1.46 0.00 0.00 175.22 174.41 2kom s ARG 546 N 1.46 3.20 -0.27 10.12 1.81 0.87 -3.90 118.95 132.25 2kom s ARG 546 Ca 0.04 -0.37 -0.15 0.00 -1.72 0.00 0.00 55.73 53.53 2kom s ARG 546 Cb -0.16 -2.90 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 2kom s ARG 546 CO -0.02 0.64 0.40 -1.14 -0.68 0.00 0.00 175.30 174.50 2kom s GLN 547 N -0.69 4.03 -0.84 3.54 0.74 -1.26 -0.03 119.66 125.15 2kom s GLN 547 Ca 0.11 0.09 -0.12 0.00 0.05 0.00 0.00 55.36 55.49 2kom s GLN 547 Cb -0.12 -3.65 0.22 0.00 1.10 0.00 0.00 33.01 30.56 2kom s GLN 547 CO 0.02 -0.29 0.77 -1.21 -0.55 0.00 0.00 175.29 174.04 2kom s GLU 548 N 2.10 3.56 0.00 1.67 0.41 -1.16 -4.94 118.70 120.34 2kom s GLU 548 Ca 0.16 -2.56 0.00 0.00 -0.41 0.00 0.00 54.97 52.16 2kom s GLU 548 Cb -0.16 -4.37 0.00 0.00 -1.78 0.00 0.00 34.13 27.82 2kom s GLU 548 CO 0.10 -1.27 0.41 -3.47 -0.49 0.00 0.00 175.26 170.54