#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 6.30 -0.28 1.61 0.01 -1.26 -4.94 113.70 115.15 2kom s SER 450 Ca 0.00 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.13 2kom s SER 450 Cb 0.00 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 63.84 2kom s SER 450 CO 0.00 -1.46 -0.02 -0.31 0.41 0.00 0.00 173.24 171.86 2kom s TYR 451 N 4.26 2.93 -0.17 2.43 2.02 -1.26 -5.07 117.35 122.49 2kom s TYR 451 Ca 0.30 -2.26 -0.04 0.00 -0.37 0.00 0.00 57.07 54.70 2kom s TYR 451 Cb -0.10 -2.08 0.07 0.00 -0.40 0.00 0.00 41.96 39.45 2kom s TYR 451 CO 0.04 -0.86 0.16 1.21 -1.57 0.00 0.00 175.55 174.53 2kom s ASN 452 N 1.20 1.58 0.00 2.29 3.84 -1.26 -4.95 114.94 117.64 2kom s ASN 452 Ca 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 52.83 2kom s ASN 452 Cb -0.19 0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.65 2kom s ASN 452 CO -0.09 -0.32 0.00 1.07 -2.79 0.00 0.00 177.10 174.98 2kom n THR 453 N 5.31 0.00 -2.46 -5.21 5.66 -1.26 -5.12 114.28 111.19 2kom n THR 453 Ca -0.06 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2kom n THR 453 Cb 0.49 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2kom n THR 453 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2kom n LYS 454 N -1.10 -2.77 -4.42 1.09 5.02 -1.26 -5.06 118.16 109.66 2kom n LYS 454 Ca 0.00 2.32 -0.33 0.00 -2.02 0.00 0.00 58.31 58.28 2kom n LYS 454 Cb 0.01 -4.49 -0.10 0.00 -0.02 0.00 0.00 35.03 30.42 2kom n LYS 454 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kom s LYS 455 N -1.32 2.69 -1.07 1.97 1.02 -1.26 -5.04 119.74 116.73 2kom s LYS 455 Ca 0.01 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.15 2kom s LYS 455 Cb -0.00 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.79 2kom s LYS 455 CO 0.62 0.63 1.44 0.42 -0.92 0.00 0.00 175.35 177.54 2kom s ILE 456 N -0.99 4.19 0.00 2.17 -1.09 -1.26 -4.73 121.20 119.49 2kom s ILE 456 Ca 0.17 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 2kom s ILE 456 Cb -0.11 -5.02 0.00 0.00 -1.58 0.00 0.00 42.46 35.75 2kom s ILE 456 CO 0.07 -1.85 0.00 0.61 -1.23 0.00 0.00 174.94 172.54 2kom n GLY 457 N 6.14 3.91 3.15 6.18 0.00 -1.26 -4.78 105.19 118.53 2kom n GLY 457 Ca 0.35 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2kom n GLY 457 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kom s LYS 458 N -1.03 0.78 -0.01 1.61 -2.85 -1.05 -4.97 119.74 112.21 2kom s LYS 458 Ca 0.00 -1.27 -0.01 0.00 -1.00 0.00 0.00 55.97 53.68 2kom s LYS 458 Cb 0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 2kom s LYS 458 CO 0.00 -0.03 0.11 1.03 0.10 0.00 0.00 175.35 176.56 2kom s ARG 459 N -3.67 3.17 -0.11 1.78 0.52 -1.26 0.18 118.95 119.57 2kom s ARG 459 Ca 0.09 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2kom s ARG 459 Cb 0.04 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.59 2kom s ARG 459 CO -0.05 0.66 -0.17 -0.51 0.02 0.00 0.00 175.30 175.25 2kom s LEU 460 N -1.72 1.81 -0.34 2.53 2.01 0.16 -4.93 118.68 118.20 2kom s LEU 460 Ca 0.23 -0.45 -0.20 0.00 0.01 0.00 0.00 54.13 53.72 2kom s LEU 460 Cb -0.12 -1.15 -0.00 0.00 0.01 0.00 0.00 46.19 44.93 2kom s LEU 460 CO 0.14 0.04 0.59 0.54 1.01 0.00 0.00 176.35 178.68 2kom s ASN 461 N 0.87 6.41 -0.14 2.29 2.20 -1.26 -0.97 114.94 124.34 2kom s ASN 461 Ca -0.09 0.17 0.01 0.00 -0.94 0.00 0.00 52.86 52.01 2kom s ASN 461 Cb -0.15 -2.31 0.02 0.00 -2.00 0.00 0.00 41.25 36.81 2kom s ASN 461 CO -0.00 -0.52 -0.15 -0.63 -2.94 0.00 0.00 177.10 172.86 2kom s ILE 462 N 2.58 1.55 -0.18 0.54 1.01 0.16 -4.96 121.20 121.90 2kom s ILE 462 Ca 0.23 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 2kom s ILE 462 Cb -0.15 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 2kom s ILE 462 CO 0.13 0.45 0.05 -1.10 0.00 0.00 0.00 174.94 174.48 2kom s GLN 463 N 1.33 3.93 -0.03 2.79 -0.21 -1.26 0.92 119.66 127.13 2kom s GLN 463 Ca 0.01 -0.36 0.06 0.00 0.02 0.00 0.00 55.36 55.09 2kom s GLN 463 Cb -0.13 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 2kom s GLN 463 CO -0.08 0.28 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.65 2kom s LEU 464 N 0.33 2.02 -0.19 2.90 1.43 0.02 -4.92 118.68 120.27 2kom s LEU 464 Ca 0.02 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 2kom s LEU 464 Cb -0.12 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 2kom s LEU 464 CO 0.00 0.25 0.06 -1.59 0.23 0.00 0.00 176.35 175.30 2kom s LYS 465 N -0.33 3.92 -0.23 1.70 -2.85 -1.26 -0.46 119.74 120.22 2kom s LYS 465 Ca 0.03 -0.37 -0.35 0.00 -1.00 0.00 0.00 55.97 54.29 2kom s LYS 465 Cb -0.10 -3.23 -0.11 0.00 -2.06 0.00 0.00 37.83 32.32 2kom s LYS 465 CO 0.01 0.19 2.02 1.17 0.10 0.00 0.00 175.35 178.84 2kom n LYS 466 N 3.79 1.60 0.00 1.78 4.81 0.77 -4.48 118.16 126.43 2kom n LYS 466 Ca -0.16 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 2kom n LYS 466 Cb 0.52 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.00 2kom n LYS 466 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kom n GLY 467 N 5.34 1.73 0.07 3.14 0.00 -1.26 -4.84 105.19 109.36 2kom n GLY 467 Ca 0.31 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 2kom n GLY 467 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kom h THR 468 N 0.00 1.35 -1.99 2.61 2.02 -1.94 -3.25 112.91 111.71 2kom h THR 468 Ca 0.00 -1.08 -0.59 0.00 0.77 0.00 0.00 66.41 65.50 2kom h THR 468 Cb 0.00 2.03 -0.42 0.00 -1.74 0.00 0.00 68.15 68.02 2kom h THR 468 CO 0.00 0.29 -0.65 -0.62 0.37 0.00 0.00 175.52 174.91 2kom n GLU 469 N -4.82 3.34 -0.21 6.66 1.02 -1.26 -4.96 120.64 120.41 2kom n GLU 469 Ca -0.08 -4.72 -0.07 0.00 -0.02 0.00 0.00 57.16 52.27 2kom n GLU 469 Cb 0.25 -2.25 -0.06 0.00 -0.02 0.00 0.00 31.44 29.36 2kom n GLU 469 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kom h GLY 470 N 2.84 -1.52 -7.67 0.62 0.00 -1.88 -2.99 103.07 92.47 2kom h GLY 470 Ca 0.20 0.90 -0.70 0.00 0.00 0.00 0.00 47.33 47.73 2kom h GLY 470 CO 0.84 -0.37 1.60 1.08 0.00 0.00 0.00 176.54 179.69 2kom s LEU 471 N -8.69 4.49 -0.54 3.11 1.43 -1.26 0.13 118.68 117.35 2kom s LEU 471 Ca -0.08 -2.55 -0.02 0.00 -1.03 0.00 0.00 54.13 50.46 2kom s LEU 471 Cb 0.06 -2.48 0.35 0.00 0.03 0.00 0.00 46.19 44.16 2kom s LEU 471 CO 0.38 -1.00 2.04 0.61 0.23 0.00 0.00 176.35 178.61 2kom n GLY 472 N 4.98 5.17 2.95 -3.19 0.00 -1.13 -4.82 105.19 109.16 2kom n GLY 472 Ca 0.39 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.03 0.37 0.08 1.61 -0.71 -1.26 0.74 117.98 115.78 2kom s PHE 473 Ca 0.52 -0.16 0.04 0.00 -1.04 0.00 0.00 56.93 56.29 2kom s PHE 473 Cb 0.40 -0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 2kom s PHE 473 CO -0.02 -0.03 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.59 2kom s SER 474 N -0.40 1.52 0.27 1.98 0.01 -0.53 -4.98 113.70 111.56 2kom s SER 474 Ca -0.01 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2kom s SER 474 Cb -0.03 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2kom s SER 474 CO -0.00 -0.17 0.11 0.27 0.41 0.00 0.00 173.24 173.86 2kom s ILE 475 N -1.85 3.83 0.08 1.44 -4.36 -1.26 0.17 121.20 119.24 2kom s ILE 475 Ca 0.01 -1.65 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 2kom s ILE 475 Cb -0.07 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.54 2kom s ILE 475 CO 0.01 -0.33 0.20 0.28 0.24 0.00 0.00 174.94 175.34 2kom s THR 476 N -2.25 0.13 -0.02 8.37 -1.32 0.43 -4.74 115.64 116.24 2kom s THR 476 Ca 0.33 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 2kom s THR 476 Cb -0.07 -1.26 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 2kom s THR 476 CO 0.23 -0.61 -0.00 -0.94 -2.21 0.00 0.00 174.62 171.09 2kom s SER 477 N -2.72 0.36 0.00 8.08 1.04 -1.26 -0.18 113.70 119.02 2kom s SER 477 Ca 0.03 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2kom s SER 477 Cb 0.04 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2kom s SER 477 CO -0.10 -0.09 0.00 0.54 0.98 0.00 0.00 173.24 174.58 2kom n ARG 478 N 3.99 0.00 -4.06 4.02 5.12 -1.26 -5.07 116.66 119.40 2kom n ARG 478 Ca -0.25 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.57 2kom n ARG 478 Cb 0.51 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.71 2kom n ARG 478 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kom s ASP 479 N 0.84 0.61 -0.14 0.55 1.11 -1.26 -4.98 116.67 113.40 2kom s ASP 479 Ca 0.00 -0.73 -0.03 0.00 0.18 0.00 0.00 52.55 51.97 2kom s ASP 479 Cb 0.00 0.11 -0.03 0.00 1.07 0.00 0.00 42.92 44.07 2kom s ASP 479 CO 0.00 -0.38 -0.03 0.54 1.18 0.00 0.00 175.17 176.48 2kom s VAL 480 N -2.45 3.96 -0.10 -1.27 0.11 -1.26 -4.61 120.40 114.79 2kom s VAL 480 Ca -0.04 -0.34 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 2kom s VAL 480 Cb -0.03 -2.72 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 2kom s VAL 480 CO -0.04 0.51 -0.20 0.28 -3.33 0.00 0.00 175.10 172.33 2kom s THR 481 N 0.12 2.46 -0.20 5.04 -1.32 -1.26 -4.86 115.64 115.62 2kom s THR 481 Ca -0.00 -0.89 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2kom s THR 481 Cb -0.13 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 2kom s THR 481 CO 0.03 0.55 0.01 -0.38 -2.21 0.00 0.00 174.62 172.62 2kom n ILE 482 N 3.31 -8.75 0.00 5.08 5.41 -1.26 -4.95 119.36 118.21 2kom n ILE 482 Ca -0.18 1.27 0.00 0.00 1.00 0.00 0.00 62.75 64.84 2kom n ILE 482 Cb 0.53 -5.93 0.00 0.00 -0.71 0.00 0.00 39.64 33.53 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 0.51 0.32 0.00 7.39 0.00 -1.26 -5.05 105.19 107.10 2kom n GLY 483 Ca -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.14 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.74 2kom n GLY 484 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2kom n GLY 484 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kom n SER 485 N 0.00 0.00 -1.40 1.61 2.88 -1.26 -5.07 113.62 110.38 2kom n SER 485 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kom n SER 485 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kom n ALA 486 N 0.00 -2.56 -2.14 -1.46 0.00 -1.26 -4.72 120.51 108.38 2kom n ALA 486 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 2kom n ALA 486 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.67 3.87 -0.23 0.00 0.05 -1.26 -4.84 135.00 130.92 2kom s PRO 487 Ca 0.00 0.58 -0.12 0.00 0.05 0.00 0.00 61.00 61.51 2kom s PRO 487 Cb 0.00 -2.38 -0.05 0.00 0.05 0.00 0.00 34.50 32.12 2kom s PRO 487 CO 0.00 0.01 0.25 0.42 0.05 0.00 0.00 177.00 177.73 2kom s ILE 488 N -2.26 5.30 0.13 0.56 -1.09 -1.26 -4.33 121.20 118.25 2kom s ILE 488 Ca 0.53 0.37 0.10 0.00 -2.23 0.00 0.00 60.65 59.42 2kom s ILE 488 Cb -0.10 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2kom s ILE 488 CO 0.26 0.31 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.74 2kom s TYR 489 N 1.16 2.39 -0.25 3.97 2.02 0.75 -0.45 117.35 126.94 2kom s TYR 489 Ca 0.12 -0.34 -0.28 0.00 -0.37 0.00 0.00 57.07 56.20 2kom s TYR 489 Cb -0.14 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2kom s TYR 489 CO 0.06 0.36 1.01 0.08 -1.57 0.00 0.00 175.55 175.49 2kom s VAL 490 N -1.11 4.67 -0.19 0.71 1.01 -0.20 -0.42 120.40 124.86 2kom s VAL 490 Ca 0.16 1.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.85 2kom s VAL 490 Cb -0.10 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 2kom s VAL 490 CO 0.08 -0.23 0.01 1.17 0.00 0.00 0.00 175.10 176.12 2kom n LYS 491 N 6.39 0.53 -4.25 2.72 3.00 0.13 -1.03 118.16 125.64 2kom n LYS 491 Ca 0.11 0.52 -0.17 0.00 -0.00 0.00 0.00 58.31 58.76 2kom n LYS 491 Cb 0.46 -1.69 -0.13 0.00 0.00 0.00 0.00 35.03 33.67 2kom n LYS 491 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2kom s ASN 492 N -6.50 1.17 -0.30 3.14 2.47 -1.10 -4.63 114.94 109.19 2kom s ASN 492 Ca -0.25 -0.36 0.03 0.00 0.42 0.00 0.00 52.86 52.70 2kom s ASN 492 Cb 0.05 -0.07 0.08 0.00 -1.45 0.00 0.00 41.25 39.87 2kom s ASN 492 CO 0.45 -0.00 -0.00 -0.63 -3.72 0.00 0.00 177.10 173.19 2kom s ILE 493 N -0.73 2.06 0.14 -5.21 -1.09 -1.26 -1.46 121.20 113.64 2kom s ILE 493 Ca -0.01 -1.95 -0.31 0.00 -2.23 0.00 0.00 60.65 56.15 2kom s ILE 493 Cb -0.07 -2.40 -0.10 0.00 -1.58 0.00 0.00 42.46 38.32 2kom s ILE 493 CO 0.00 -0.39 1.67 -0.76 -1.23 0.00 0.00 174.94 174.23 2kom s LEU 494 N 1.07 4.37 0.00 2.97 1.02 0.23 -4.87 118.68 123.47 2kom s LEU 494 Ca 0.03 2.65 0.00 0.00 0.02 0.00 0.00 54.13 56.83 2kom s LEU 494 Cb -0.19 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.44 2kom s LEU 494 CO -0.08 -0.90 0.57 -0.81 0.02 0.00 0.00 176.35 175.15 2kom n PRO 495 N 4.75 0.56 0.00 1.29 -0.04 -1.26 -2.62 135.00 137.68 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 0.38 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.74 0.00 0.00 0.54 1.85 -1.26 -5.01 116.66 113.52 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 0.28 -0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 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 0.83 0.25 2.89 0.00 -1.08 -4.69 105.19 103.40 2kom n GLY 497 Ca 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.19 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 1.55 -0.28 4.61 0.00 0.89 0.30 119.26 124.92 2kom h ALA 498 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2kom h ALA 498 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2kom h ALA 498 CO 0.00 0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.64 2kom h ALA 499 N 1.66 0.30 0.02 0.00 0.00 -1.86 -0.64 119.26 118.74 2kom h ALA 499 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2kom h ALA 499 Cb 0.29 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2kom h ALA 499 CO 0.01 -0.34 -1.03 0.97 0.00 0.00 0.00 179.25 178.86 2kom h ILE 500 N 0.18 1.69 -0.50 0.00 2.10 -1.75 0.82 117.51 120.04 2kom h ILE 500 Ca 0.13 -3.38 0.02 0.00 1.08 0.00 0.00 64.86 62.71 2kom h ILE 500 Cb 0.12 2.86 -0.03 0.00 -1.09 0.00 0.00 36.82 38.68 2kom h ILE 500 CO -0.16 0.97 0.30 -0.61 -1.08 0.00 0.00 178.15 177.57 2kom h GLN 501 N 0.01 0.58 0.00 2.19 -0.00 -0.33 -2.53 115.11 115.02 2kom h GLN 501 Ca -0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 2kom h GLN 501 Cb 1.79 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 29.13 2kom h GLN 501 CO 0.14 0.38 -1.80 -0.25 0.00 0.00 0.00 178.83 177.31 2kom n ASP 502 N -4.80 0.22 -1.84 -0.69 8.00 -0.30 -5.00 116.55 112.14 2kom n ASP 502 Ca 0.03 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 2kom n ASP 502 Cb 0.08 1.50 0.02 0.00 -0.02 0.00 0.00 41.12 42.69 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kom n GLY 503 N 1.29 0.00 0.04 0.44 0.00 0.26 -4.92 105.19 102.30 2kom n GLY 503 Ca -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.64 1.50 -4.07 1.61 1.74 -1.05 -4.98 116.66 108.76 2kom n ARG 504 Ca -0.06 -0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.70 2kom n ARG 504 Cb 0.57 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.65 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kom s LEU 505 N -4.54 3.81 0.23 0.55 2.96 -1.24 -5.06 118.68 115.40 2kom s LEU 505 Ca -0.05 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2kom s LEU 505 Cb 0.05 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 2kom s LEU 505 CO 0.50 0.09 0.35 -1.59 -1.32 0.00 0.00 176.35 174.38 2kom s LYS 506 N -2.95 1.43 0.18 1.98 0.00 -1.26 -4.69 119.74 114.43 2kom s LYS 506 Ca 0.31 -1.41 -0.09 0.00 0.00 0.00 0.00 55.97 54.78 2kom s LYS 506 Cb -0.11 0.40 -0.07 0.00 0.00 0.00 0.00 37.83 38.06 2kom s LYS 506 CO 0.23 -0.56 0.48 0.00 0.00 0.00 0.00 175.35 175.51 2kom s ALA 507 N -4.04 3.65 0.00 0.59 0.00 -1.26 -4.29 121.76 116.40 2kom s ALA 507 Ca 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2kom s ALA 507 Cb 0.02 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2kom s ALA 507 CO 0.10 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2kom n GLY 508 N 0.16 1.91 3.76 0.00 0.00 -0.20 -5.02 105.19 105.80 2kom n GLY 508 Ca -0.02 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.36 4.96 -0.15 1.61 1.11 -1.26 -4.71 116.67 117.88 2kom s ASP 509 Ca 0.00 2.15 -0.20 0.00 0.18 0.00 0.00 52.55 54.68 2kom s ASP 509 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2kom s ASP 509 CO 0.00 -1.73 0.57 -0.60 1.18 0.00 0.00 175.17 174.58 2kom s ARG 510 N -3.87 4.29 0.04 8.23 3.52 -0.93 -1.04 118.95 129.19 2kom s ARG 510 Ca 0.71 0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 56.58 2kom s ARG 510 Cb -0.24 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2kom s ARG 510 CO 0.40 -0.03 0.94 -1.17 -0.81 0.00 0.00 175.30 174.63 2kom s LEU 511 N 1.20 4.42 -0.25 -0.88 2.96 0.40 0.13 118.68 126.67 2kom s LEU 511 Ca 0.28 1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 55.80 2kom s LEU 511 Cb -0.16 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 2kom s LEU 511 CO 0.12 -0.17 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.33 2kom n ILE 512 N 3.44 1.40 -3.69 6.68 2.08 0.17 -4.42 119.36 125.02 2kom n ILE 512 Ca 0.04 -0.45 -0.12 0.00 0.56 0.00 0.00 62.75 62.78 2kom n ILE 512 Cb 0.50 -1.60 -0.06 0.00 -0.75 0.00 0.00 39.64 37.73 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 0.92 -0.04 0.38 -1.05 -1.18 -2.44 118.70 112.82 2kom s GLU 513 Ca -0.34 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 2kom s GLU 513 Cb 0.11 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.23 2kom s GLU 513 CO 0.51 -0.32 0.00 0.54 0.95 0.00 0.00 175.26 176.94 2kom s VAL 514 N -2.81 0.18 0.00 1.83 0.11 -0.98 -0.77 120.40 117.96 2kom s VAL 514 Ca -0.03 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2kom s VAL 514 Cb -0.00 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 2kom s VAL 514 CO -0.05 0.16 0.00 -3.20 -3.33 0.00 0.00 175.10 168.68 2kom n ASN 515 N 4.34 -4.72 0.00 3.54 2.85 0.28 -1.67 115.26 119.88 2kom n ASN 515 Ca -0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.25 2kom n ASN 515 Cb 0.50 -2.55 0.00 0.00 1.24 0.00 0.00 39.78 38.98 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kom n GLY 516 N -0.32 0.82 3.74 8.20 0.00 -1.26 -4.86 105.19 111.51 2kom n GLY 516 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kom n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kom s VAL 517 N -2.00 4.65 0.12 1.61 1.01 -0.67 -5.08 120.40 120.05 2kom s VAL 517 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 2kom s VAL 517 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 2kom s VAL 517 CO 0.00 0.61 1.00 -1.81 0.00 0.00 0.00 175.10 174.90 2kom s ASP 518 N -0.92 7.43 -0.17 3.32 1.11 -1.26 -2.32 116.67 123.85 2kom s ASP 518 Ca 0.14 1.87 -0.15 0.00 0.18 0.00 0.00 52.55 54.59 2kom s ASP 518 Cb -0.12 -2.59 -0.22 0.00 1.07 0.00 0.00 42.92 41.06 2kom s ASP 518 CO 0.03 -0.12 0.27 0.18 1.18 0.00 0.00 175.17 176.71 2kom n LEU 519 N 2.73 2.20 -4.55 1.23 4.77 -1.02 -4.63 117.00 117.73 2kom n LEU 519 Ca 0.03 0.33 -0.37 0.00 -0.03 0.00 0.00 56.01 55.96 2kom n LEU 519 Cb 0.48 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 2kom n LEU 519 CO 0.52 0.54 1.78 -0.69 -1.33 0.00 0.00 177.39 178.21 2kom s VAL 520 N -2.45 3.20 0.00 4.08 1.01 -1.26 -0.25 120.40 124.73 2kom s VAL 520 Ca -0.26 0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2kom s VAL 520 Cb 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2kom s VAL 520 CO 0.67 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2kom n GLY 521 N 5.84 1.16 3.66 4.51 0.00 -1.26 -5.13 105.19 113.97 2kom n GLY 521 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 0.46 1.61 -2.85 0.66 -5.15 119.74 116.66 2kom s LYS 522 Ca 0.00 -1.63 -0.00 0.00 -1.00 0.00 0.00 55.97 53.34 2kom s LYS 522 Cb 0.00 -2.04 -0.00 0.00 -2.06 0.00 0.00 37.83 33.72 2kom s LYS 522 CO 0.00 0.18 0.69 -1.12 0.10 0.00 0.00 175.35 175.19 2kom s SER 523 N -3.74 5.84 0.21 0.03 0.01 -1.26 -4.96 113.70 109.83 2kom s SER 523 Ca 0.35 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.84 2kom s SER 523 Cb -0.02 -1.58 0.28 0.00 0.21 0.00 0.00 66.02 64.91 2kom s SER 523 CO 0.20 -0.71 1.68 1.56 0.41 0.00 0.00 173.24 176.38 2kom h GLN 524 N 0.36 0.16 -0.24 12.44 1.08 -1.98 -1.35 115.11 125.58 2kom h GLN 524 Ca -0.46 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2kom h GLN 524 Cb 1.25 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2kom h GLN 524 CO 0.58 0.10 0.16 0.93 -0.95 0.00 0.00 178.83 179.65 2kom h GLU 525 N 0.16 0.30 -0.19 1.46 3.07 -1.98 0.69 114.58 118.09 2kom h GLU 525 Ca 0.31 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.96 2kom h GLU 525 Cb 0.49 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2kom h GLU 525 CO -0.47 0.20 -0.65 0.93 -1.40 0.00 0.00 179.01 177.62 2kom h GLU 526 N 0.31 0.70 0.02 2.33 5.08 -1.67 -2.71 114.58 118.65 2kom h GLU 526 Ca 0.09 -0.50 -0.25 0.00 -1.00 0.00 0.00 59.36 57.70 2kom h GLU 526 Cb -0.01 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kom h GLU 526 CO -0.02 1.12 -1.02 0.28 -1.00 0.00 0.00 179.01 178.37 2kom h VAL 527 N 0.52 1.36 -0.51 3.13 2.07 -0.20 -2.79 116.25 119.82 2kom h VAL 527 Ca -0.01 -2.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.02 2kom h VAL 527 Cb 1.24 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 2kom h VAL 527 CO 0.13 0.73 0.05 -0.37 0.02 0.00 0.00 177.57 178.13 2kom h VAL 528 N 0.28 1.26 -0.02 2.57 -1.51 0.26 0.14 116.25 119.24 2kom h VAL 528 Ca -0.11 -1.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.27 2kom h VAL 528 Cb 1.67 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2kom h VAL 528 CO 0.19 0.36 -0.43 0.77 -1.23 0.00 0.00 177.57 177.22 2kom h SER 529 N 0.73 0.04 -0.53 4.19 4.64 -1.56 0.44 113.55 121.50 2kom h SER 529 Ca 0.15 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 2kom h SER 529 Cb 0.45 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2kom h SER 529 CO 0.02 0.47 -0.04 0.25 -0.87 0.00 0.00 176.83 176.66 2kom h LEU 530 N 0.03 0.98 -0.06 5.97 5.85 -1.14 -1.96 115.31 124.97 2kom h LEU 530 Ca -0.00 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2kom h LEU 530 Cb 0.78 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kom h LEU 530 CO 0.06 1.05 -0.07 0.25 -0.34 0.00 0.00 178.44 179.39 2kom h LEU 531 N 0.90 0.17 -2.23 2.25 5.85 0.33 -3.19 115.31 119.39 2kom h LEU 531 Ca 0.16 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2kom h LEU 531 Cb 0.58 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kom h LEU 531 CO 0.03 0.63 -0.00 0.03 -0.34 0.00 0.00 178.44 178.79 2kom h ARG 532 N -0.28 0.00 -0.20 1.25 2.47 -0.09 0.17 114.38 117.70 2kom h ARG 532 Ca 0.01 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.60 2kom h ARG 532 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2kom h ARG 532 CO 0.02 0.00 -0.44 1.03 0.56 0.00 0.00 179.97 181.14 2kom h SER 533 N 0.00 0.53 0.00 7.04 0.87 -1.35 -3.47 113.55 117.17 2kom h SER 533 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2kom h SER 533 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2kom h SER 533 CO 0.00 0.90 0.00 0.41 -0.53 0.00 0.00 176.83 177.61 2kom n THR 534 N -4.01 0.00 0.00 2.23 -1.04 0.05 -4.77 114.28 106.74 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 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -2.05 -0.01 -2.82 4.81 -1.26 -4.77 118.16 112.06 2kom n LYS 535 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2kom n LYS 535 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2kom n LYS 535 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kom h MET 536 N 0.00 -0.04 0.13 1.64 1.85 -1.93 -3.31 114.93 113.27 2kom h MET 536 Ca 0.00 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 58.81 2kom h MET 536 Cb 0.00 0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.05 2kom h MET 536 CO 0.00 0.54 -1.24 1.05 -0.40 0.00 0.00 176.91 176.85 2kom h GLU 537 N -0.64 0.33 0.00 0.39 9.09 -1.99 -3.48 114.58 118.29 2kom h GLU 537 Ca -0.00 -0.53 0.00 0.00 0.05 0.00 0.00 59.36 58.87 2kom h GLU 537 Cb 0.59 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2kom h GLU 537 CO 0.01 1.24 0.00 0.41 0.05 0.00 0.00 179.01 180.72 2kom n GLY 538 N 1.49 1.90 3.41 1.06 0.00 -1.25 -4.83 105.19 106.97 2kom n GLY 538 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 4.10 -0.15 2.61 2.01 -1.26 -0.16 115.64 120.79 2kom s THR 539 Ca 0.00 -0.25 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 2kom s THR 539 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 2kom s THR 539 CO 0.00 0.35 0.00 -0.69 -0.69 0.00 0.00 174.62 173.59 2kom s VAL 540 N 1.58 4.26 -0.37 3.82 1.01 0.39 -4.82 120.40 126.28 2kom s VAL 540 Ca 0.06 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 2kom s VAL 540 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2kom s VAL 540 CO 0.02 0.50 0.50 -0.44 0.00 0.00 0.00 175.10 175.69 2kom s SER 541 N 0.14 6.29 -0.09 3.32 0.01 -1.26 -0.80 113.70 121.31 2kom s SER 541 Ca 0.01 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2kom s SER 541 Cb -0.13 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2kom s SER 541 CO 0.02 -0.51 0.00 -0.76 0.41 0.00 0.00 173.24 172.40 2kom s LEU 542 N 2.37 3.58 -0.20 2.44 2.01 0.26 0.10 118.68 129.24 2kom s LEU 542 Ca 0.18 0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.46 2kom s LEU 542 Cb -0.16 -1.82 0.02 0.00 0.01 0.00 0.00 46.19 44.25 2kom s LEU 542 CO 0.14 0.37 -0.16 -0.22 1.01 0.00 0.00 176.35 177.49 2kom s LEU 543 N -0.83 2.53 0.25 1.79 2.96 0.05 0.35 118.68 125.77 2kom s LEU 543 Ca 0.13 -0.78 0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2kom s LEU 543 Cb -0.11 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 2kom s LEU 543 CO 0.02 -0.05 -0.16 0.68 -1.32 0.00 0.00 176.35 175.52 2kom s VAL 544 N 1.28 2.71 -0.26 1.68 -7.23 -0.14 0.42 120.40 118.86 2kom s VAL 544 Ca 0.02 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2kom s VAL 544 Cb -0.15 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2kom s VAL 544 CO -0.10 -0.30 -0.01 0.12 -0.31 0.00 0.00 175.10 174.51 2kom s PHE 545 N -2.19 3.07 -0.28 2.82 5.36 0.12 0.40 117.98 127.28 2kom s PHE 545 Ca 0.28 -1.19 -0.24 0.00 -0.96 0.00 0.00 56.93 54.81 2kom s PHE 545 Cb -0.06 -2.14 -0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2kom s PHE 545 CO 0.15 -0.63 0.82 0.50 -1.46 0.00 0.00 175.22 174.60 2kom s ARG 546 N 1.43 4.07 0.00 10.12 6.06 0.13 -2.19 118.95 138.56 2kom s ARG 546 Ca 0.02 0.77 0.04 0.00 -2.50 0.00 0.00 55.73 54.07 2kom s ARG 546 Cb -0.16 -3.69 -0.01 0.00 0.06 0.00 0.00 34.95 31.15 2kom s ARG 546 CO -0.02 -0.62 -0.12 1.14 -2.50 0.00 0.00 175.30 173.18 2kom s GLN 547 N 2.94 0.94 -0.70 5.12 -2.07 -1.26 -2.54 119.66 122.09 2kom s GLN 547 Ca 0.34 -0.51 0.05 0.00 -1.82 0.00 0.00 55.36 53.42 2kom s GLN 547 Cb -0.14 -0.92 0.20 0.00 -1.09 0.00 0.00 33.01 31.06 2kom s GLN 547 CO 0.10 0.25 0.62 0.39 -1.32 0.00 0.00 175.29 175.33 2kom n GLU 548 N 2.55 2.18 0.00 9.60 1.02 -1.26 -4.95 120.64 129.77 2kom n GLU 548 Ca -0.15 -4.56 0.13 0.00 -0.02 0.00 0.00 57.16 52.55 2kom n GLU 548 Cb 0.56 -2.29 0.21 0.00 -0.02 0.00 0.00 31.44 29.89 2kom n GLU 548 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84