#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 -5.97 0.00 1.61 7.64 -1.26 -4.85 113.62 110.79 2kom n SER 450 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.71 2kom n SER 450 Cb 0.00 -2.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 2kom n SER 450 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2kom n TYR 451 N -2.89 0.00 -2.87 1.43 4.01 -1.26 -4.77 117.16 110.81 2kom n TYR 451 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 2kom n TYR 451 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 2kom n TYR 451 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kom s ASN 452 N 0.00 6.56 0.09 7.72 4.22 -1.26 -4.78 114.94 127.49 2kom s ASN 452 Ca 0.00 -1.85 -0.13 0.00 -2.14 0.00 0.00 52.86 48.74 2kom s ASN 452 Cb 0.00 -2.42 -0.20 0.00 1.28 0.00 0.00 41.25 39.91 2kom s ASN 452 CO 0.00 -1.16 1.23 0.74 -2.04 0.00 0.00 177.10 175.87 2kom h THR 453 N 5.97 1.28 -2.67 0.54 2.02 -2.02 -3.45 112.91 114.58 2kom h THR 453 Ca 0.11 -2.16 -0.47 0.00 0.77 0.00 0.00 66.41 64.66 2kom h THR 453 Cb 1.03 2.25 0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2kom h THR 453 CO 1.15 0.67 -0.19 -0.54 0.37 0.00 0.00 175.52 176.99 2kom s LYS 454 N -3.46 3.34 0.19 6.66 1.02 -1.26 -4.99 119.74 121.24 2kom s LYS 454 Ca -0.10 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 2kom s LYS 454 Cb 0.07 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2kom s LYS 454 CO 0.92 0.04 0.13 0.15 -0.92 0.00 0.00 175.35 175.67 2kom s LYS 455 N -4.35 1.18 -1.13 1.68 1.02 -1.26 -5.03 119.74 111.84 2kom s LYS 455 Ca 0.42 -1.60 -0.21 0.00 0.02 0.00 0.00 55.97 54.60 2kom s LYS 455 Cb -0.10 0.27 0.03 0.00 -0.52 0.00 0.00 37.83 37.51 2kom s LYS 455 CO 0.36 -0.38 1.67 0.42 -0.92 0.00 0.00 175.35 176.50 2kom s ILE 456 N -4.15 3.90 0.00 2.17 1.09 -1.26 -4.61 121.20 118.34 2kom s ILE 456 Ca 0.37 -1.17 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 2kom s ILE 456 Cb 0.07 -4.93 0.00 0.00 -1.06 0.00 0.00 42.46 36.53 2kom s ILE 456 CO 0.11 -1.75 0.00 0.61 -0.10 0.00 0.00 174.94 173.81 2kom n GLY 457 N 6.21 3.50 3.31 6.18 0.00 -1.26 -4.66 105.19 118.46 2kom n GLY 457 Ca 0.41 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.83 1.19 -0.15 1.61 1.02 0.11 -4.84 119.74 115.84 2kom s LYS 458 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 54.74 2kom s LYS 458 Cb 0.00 -1.40 -0.00 0.00 -0.52 0.00 0.00 37.83 35.91 2kom s LYS 458 CO 0.00 0.31 -0.15 1.03 -0.92 0.00 0.00 175.35 175.62 2kom s ARG 459 N -2.22 3.23 0.01 1.68 0.52 -1.25 -0.29 118.95 120.63 2kom s ARG 459 Ca 0.10 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 2kom s ARG 459 Cb -0.09 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2kom s ARG 459 CO 0.05 0.05 -0.21 -0.51 0.02 0.00 0.00 175.30 174.70 2kom s LEU 460 N 0.74 2.10 -0.35 2.53 1.02 0.62 -4.91 118.68 120.42 2kom s LEU 460 Ca -0.07 -0.45 -0.14 0.00 0.02 0.00 0.00 54.13 53.49 2kom s LEU 460 Cb -0.15 -1.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.99 2kom s LEU 460 CO 0.01 0.22 0.32 0.54 0.02 0.00 0.00 176.35 177.46 2kom s ASN 461 N -0.79 6.14 -0.11 2.29 2.20 -1.26 -0.89 114.94 122.51 2kom s ASN 461 Ca 0.08 -0.34 0.03 0.00 -0.94 0.00 0.00 52.86 51.70 2kom s ASN 461 Cb -0.08 -2.18 -0.00 0.00 -2.00 0.00 0.00 41.25 36.99 2kom s ASN 461 CO 0.00 -0.32 -0.22 -0.63 -2.94 0.00 0.00 177.10 173.00 2kom s ILE 462 N 1.91 2.25 -0.14 0.54 1.01 0.11 -4.95 121.20 121.94 2kom s ILE 462 Ca 0.10 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2kom s ILE 462 Cb -0.17 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2kom s ILE 462 CO 0.11 0.55 -0.15 -1.10 0.00 0.00 0.00 174.94 174.35 2kom s GLN 463 N 0.38 3.27 -0.06 2.79 -0.21 -1.26 0.76 119.66 125.34 2kom s GLN 463 Ca -0.17 -0.74 0.04 0.00 0.02 0.00 0.00 55.36 54.51 2kom s GLN 463 Cb -0.17 -2.59 -0.02 0.00 1.00 0.00 0.00 33.01 31.23 2kom s GLN 463 CO 0.08 0.12 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.69 2kom s LEU 464 N 0.56 2.56 -0.11 2.90 2.01 -0.35 -4.88 118.68 121.37 2kom s LEU 464 Ca -0.10 -0.29 -0.03 0.00 0.01 0.00 0.00 54.13 53.73 2kom s LEU 464 Cb -0.16 -1.51 -0.03 0.00 0.01 0.00 0.00 46.19 44.50 2kom s LEU 464 CO 0.04 0.30 -0.01 -0.75 1.01 0.00 0.00 176.35 176.94 2kom s LYS 465 N -0.48 3.27 -0.55 1.70 2.20 -1.26 0.17 119.74 124.80 2kom s LYS 465 Ca 0.06 -0.44 -0.26 0.00 -0.36 0.00 0.00 55.97 54.96 2kom s LYS 465 Cb -0.12 -2.86 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 2kom s LYS 465 CO 0.01 0.52 2.32 0.21 -0.36 0.00 0.00 175.35 178.06 2kom s LYS 466 N -0.38 2.12 -0.01 4.03 2.20 0.51 -4.58 119.74 123.63 2kom s LYS 466 Ca 0.07 1.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.86 2kom s LYS 466 Cb -0.12 -4.59 -0.01 0.00 -1.51 0.00 0.00 37.83 31.60 2kom s LYS 466 CO 0.02 -3.35 -0.12 0.20 -0.36 0.00 0.00 175.35 171.74 2kom s GLY 467 N 11.39 0.58 0.00 5.54 0.00 -1.26 -4.81 107.32 118.76 2kom s GLY 467 Ca 0.92 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.14 2kom s GLY 467 CO 0.22 -0.40 0.00 -0.37 0.00 0.00 0.00 173.10 172.56 2kom n THR 468 N 2.84 0.00 0.66 0.90 5.66 -1.26 -0.14 114.28 122.93 2kom n THR 468 Ca -0.14 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2kom n THR 468 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 2kom n THR 468 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kom n GLU 469 N 0.00 2.10 0.00 1.09 1.02 -1.26 -5.08 120.64 118.51 2kom n GLU 469 Ca 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 2kom n GLU 469 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kom n GLY 470 N 1.23 0.14 3.51 0.62 0.00 0.80 -4.75 105.19 106.73 2kom n GLY 470 Ca 0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.15 -3.79 0.99 4.32 -1.26 0.11 117.00 117.22 2kom n LEU 471 Ca 0.00 -0.44 -0.42 0.00 -0.02 0.00 0.00 56.01 55.13 2kom n LEU 471 Cb 0.00 -0.90 0.01 0.00 -1.62 0.00 0.00 43.42 40.91 2kom n LEU 471 CO 0.00 -1.39 1.50 0.61 -1.22 0.00 0.00 177.39 176.90 2kom n GLY 472 N 6.03 5.50 3.41 -0.72 0.00 -1.26 -4.78 105.19 113.37 2kom n GLY 472 Ca 0.62 -2.49 -0.15 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.79 -0.48 0.25 1.61 -0.71 -1.26 -0.15 117.98 114.44 2kom s PHE 473 Ca 0.38 0.91 0.07 0.00 -1.04 0.00 0.00 56.93 57.25 2kom s PHE 473 Cb 0.12 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 2kom s PHE 473 CO -0.02 -0.47 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.18 2kom s SER 474 N -0.92 2.64 0.21 1.98 0.01 -0.30 -4.97 113.70 112.36 2kom s SER 474 Ca -0.10 -1.12 0.11 0.00 1.31 0.00 0.00 55.95 56.16 2kom s SER 474 Cb -0.03 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 2kom s SER 474 CO 0.06 -0.27 -0.22 0.27 0.41 0.00 0.00 173.24 173.48 2kom s ILE 475 N -3.01 2.43 -0.04 1.44 -4.36 -1.26 0.11 121.20 116.51 2kom s ILE 475 Ca 0.27 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 2kom s ILE 475 Cb 0.02 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.56 2kom s ILE 475 CO 0.10 -0.18 -0.03 0.28 0.24 0.00 0.00 174.94 175.35 2kom s THR 476 N -1.85 0.40 -0.07 8.37 -1.32 0.70 -4.67 115.64 117.20 2kom s THR 476 Ca 0.23 -0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.64 2kom s THR 476 Cb -0.07 -0.45 0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2kom s THR 476 CO 0.11 0.19 0.15 -0.55 -2.21 0.00 0.00 174.62 172.32 2kom s SER 477 N 0.97 -0.12 -0.26 8.08 0.15 -1.26 -1.54 113.70 119.72 2kom s SER 477 Ca -0.10 0.31 0.13 0.00 0.70 0.00 0.00 55.95 56.98 2kom s SER 477 Cb -0.14 0.20 0.47 0.00 -1.71 0.00 0.00 66.02 64.84 2kom s SER 477 CO -0.01 -0.14 1.17 0.54 1.20 0.00 0.00 173.24 176.00 2kom n ARG 478 N 4.12 2.72 0.00 5.44 1.74 -1.26 -5.03 116.66 124.39 2kom n ARG 478 Ca -0.25 -3.79 0.00 0.00 -0.77 0.00 0.00 57.85 53.03 2kom n ARG 478 Cb 0.52 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2kom n ARG 478 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kom n ASP 479 N -0.67 -2.10 -1.13 0.55 -0.08 -1.26 -3.43 116.55 108.44 2kom n ASP 479 Ca 0.30 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.63 2kom n ASP 479 Cb 0.90 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.58 2kom n ASP 479 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2kom n VAL 480 N -0.33 1.25 -1.66 5.18 0.24 -1.26 -4.38 118.33 117.37 2kom n VAL 480 Ca 0.00 -0.73 -0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2kom n VAL 480 Cb 0.00 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 2kom n VAL 480 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kom n THR 481 N 0.49 -2.35 -2.38 3.34 -1.04 -1.22 -4.83 114.28 106.28 2kom n THR 481 Ca 0.15 0.02 -0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2kom n THR 481 Cb 0.65 -4.05 -0.00 0.00 -1.82 0.00 0.00 70.33 65.11 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2kom n ILE 482 N -0.87 -9.45 0.04 12.58 5.41 -1.26 -5.02 119.36 120.79 2kom n ILE 482 Ca 0.00 1.41 0.00 0.00 1.00 0.00 0.00 62.75 65.16 2kom n ILE 482 Cb 0.34 -6.14 0.00 0.00 -0.71 0.00 0.00 39.64 33.13 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 0.57 -0.81 0.00 7.39 0.00 -1.26 -5.04 105.19 106.04 2kom n GLY 483 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.32 0.85 1.79 -0.02 0.00 -1.26 -4.98 105.19 100.26 2kom n GLY 484 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kom n GLY 484 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kom n SER 485 N 0.00 6.14 -4.65 1.61 3.41 -1.26 -4.93 113.62 113.94 2kom n SER 485 Ca 0.00 -2.88 -0.63 0.00 -0.26 0.00 0.00 58.87 55.11 2kom n SER 485 Cb 0.00 -1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 62.77 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kom n ALA 486 N 0.71 -0.61 -2.28 7.33 0.00 -1.26 -4.66 120.51 119.72 2kom n ALA 486 Ca 0.22 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.68 2kom n ALA 486 Cb 0.56 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 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 3.82 4.10 -0.06 0.00 0.04 -1.26 -4.70 135.00 136.94 2kom s PRO 487 Ca 1.06 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2kom s PRO 487 Cb -1.33 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.14 2kom s PRO 487 CO 0.73 0.51 0.29 0.42 0.04 0.00 0.00 177.00 178.99 2kom s ILE 488 N -1.37 5.24 0.10 0.56 -1.09 -1.26 -4.56 121.20 118.84 2kom s ILE 488 Ca 0.36 0.56 0.05 0.00 -2.23 0.00 0.00 60.65 59.40 2kom s ILE 488 Cb -0.17 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2kom s ILE 488 CO 0.19 0.59 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.05 2kom s TYR 489 N -1.00 1.31 -0.12 3.97 2.02 -0.59 0.01 117.35 122.95 2kom s TYR 489 Ca 0.20 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 2kom s TYR 489 Cb -0.15 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 2kom s TYR 489 CO 0.09 0.10 1.32 0.08 -1.57 0.00 0.00 175.55 175.57 2kom s VAL 490 N -1.93 4.13 -0.20 0.71 1.01 -0.51 -0.22 120.40 123.40 2kom s VAL 490 Ca 0.05 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 2kom s VAL 490 Cb -0.06 -3.90 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 2kom s VAL 490 CO 0.02 -0.09 0.09 1.17 0.00 0.00 0.00 175.10 176.30 2kom n LYS 491 N 6.34 0.54 -3.84 2.72 4.81 0.12 -3.84 118.16 125.01 2kom n LYS 491 Ca 0.14 0.55 -0.12 0.00 -0.87 0.00 0.00 58.31 58.02 2kom n LYS 491 Cb 0.45 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.68 2kom n LYS 491 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kom s ASN 492 N -6.61 -0.03 -0.30 3.14 2.47 -1.15 -4.92 114.94 107.55 2kom s ASN 492 Ca -0.26 -0.17 0.03 0.00 0.42 0.00 0.00 52.86 52.89 2kom s ASN 492 Cb 0.05 0.25 0.08 0.00 -1.45 0.00 0.00 41.25 40.18 2kom s ASN 492 CO 0.50 -0.43 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.79 2kom s ILE 493 N -1.60 2.23 0.05 -5.21 -1.09 -1.26 -1.15 121.20 113.17 2kom s ILE 493 Ca -0.13 -2.01 -0.30 0.00 -2.23 0.00 0.00 60.65 55.98 2kom s ILE 493 Cb -0.06 -2.50 -0.08 0.00 -1.58 0.00 0.00 42.46 38.24 2kom s ILE 493 CO 0.01 -0.33 1.79 -0.76 -1.23 0.00 0.00 174.94 174.42 2kom s LEU 494 N 1.00 4.39 0.00 2.97 2.01 0.79 -4.86 118.68 124.97 2kom s LEU 494 Ca 0.01 2.55 0.00 0.00 0.01 0.00 0.00 54.13 56.71 2kom s LEU 494 Cb -0.19 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.46 2kom s LEU 494 CO -0.07 -0.97 0.46 -0.81 1.01 0.00 0.00 176.35 175.97 2kom n PRO 495 N 6.49 0.72 0.00 1.29 -0.04 -1.26 -2.72 135.00 139.48 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 0.41 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.00 0.54 1.85 -1.26 -4.93 116.66 113.14 2kom n ARG 496 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 2kom n ARG 496 Cb 0.23 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.58 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 2.09 0.32 2.89 0.00 -1.10 -4.27 105.19 105.12 2kom n GLY 497 Ca 0.00 -1.89 -0.07 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 -0.89 0.95 -0.78 4.61 0.00 0.69 -2.47 119.26 121.38 2kom h ALA 498 Ca 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2kom h ALA 498 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 2kom h ALA 498 CO 0.00 0.64 0.51 0.00 0.00 0.00 0.00 179.25 180.40 2kom h ALA 499 N 1.11 1.69 0.20 0.00 0.00 -1.79 0.16 119.26 120.63 2kom h ALA 499 Ca 0.23 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 2kom h ALA 499 Cb 0.32 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kom h ALA 499 CO -0.01 0.18 -1.23 0.97 0.00 0.00 0.00 179.25 179.16 2kom h ILE 500 N 0.80 1.34 -0.71 0.00 2.10 -1.73 0.11 117.51 119.42 2kom h ILE 500 Ca 0.34 -2.60 -0.02 0.00 1.08 0.00 0.00 64.86 63.66 2kom h ILE 500 Cb 0.31 3.07 -0.03 0.00 -1.09 0.00 0.00 36.82 39.08 2kom h ILE 500 CO -0.12 0.77 0.38 1.56 -1.08 0.00 0.00 178.15 179.66 2kom h GLN 501 N -0.09 0.98 0.00 2.19 1.08 -0.86 -2.40 115.11 116.02 2kom h GLN 501 Ca -0.22 -0.11 -0.30 0.00 -1.45 0.00 0.00 58.65 56.57 2kom h GLN 501 Cb 1.93 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 29.11 2kom h GLN 501 CO 0.21 0.73 -1.98 -0.25 -0.95 0.00 0.00 178.83 176.59 2kom n ASP 502 N -4.36 0.45 -2.30 1.46 8.00 0.49 -4.98 116.55 115.31 2kom n ASP 502 Ca 0.07 0.21 -0.19 0.00 0.71 0.00 0.00 54.79 55.59 2kom n ASP 502 Cb 0.10 0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.60 -0.21 0.01 0.44 0.00 0.38 -4.84 105.19 102.57 2kom n GLY 503 Ca -0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2kom n GLY 503 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kom n ARG 504 N -2.87 0.26 -4.46 1.61 3.00 -1.24 -4.93 116.66 108.03 2kom n ARG 504 Ca -0.22 -0.07 -0.26 0.00 -0.00 0.00 0.00 57.85 57.30 2kom n ARG 504 Cb 0.66 -1.52 -0.13 0.00 0.00 0.00 0.00 32.46 31.47 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2kom s LEU 505 N -3.62 2.26 0.14 6.15 2.96 -1.26 -4.98 118.68 120.33 2kom s LEU 505 Ca 0.02 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 2kom s LEU 505 Cb 0.15 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2kom s LEU 505 CO 0.88 0.13 0.12 -1.59 -1.32 0.00 0.00 176.35 174.56 2kom s LYS 506 N -1.68 0.99 -0.04 1.98 0.00 -1.26 -4.82 119.74 114.91 2kom s LYS 506 Ca 0.09 -1.37 -0.25 0.00 0.00 0.00 0.00 55.97 54.44 2kom s LYS 506 Cb -0.10 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 2kom s LYS 506 CO 0.04 -0.30 0.75 0.00 0.00 0.00 0.00 175.35 175.83 2kom s ALA 507 N -4.03 3.31 0.00 0.59 0.00 -1.26 -4.08 121.76 116.30 2kom s ALA 507 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2kom s ALA 507 Cb 0.06 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2kom s ALA 507 CO 0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2kom n GLY 508 N 2.98 0.97 3.94 0.00 0.00 -1.25 -5.06 105.19 106.76 2kom n GLY 508 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 5.56 -0.06 1.61 1.01 -1.26 -4.90 116.67 118.63 2kom s ASP 509 Ca 0.00 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.73 2kom s ASP 509 Cb 0.00 -1.50 -0.03 0.00 1.01 0.00 0.00 42.92 42.40 2kom s ASP 509 CO 0.00 -1.01 -0.01 -0.60 0.21 0.00 0.00 175.17 173.76 2kom s ARG 510 N -4.85 2.89 -0.08 8.23 3.00 -0.29 -1.42 118.95 126.42 2kom s ARG 510 Ca 0.53 -0.48 -0.23 0.00 -1.00 0.00 0.00 55.73 54.55 2kom s ARG 510 Cb -0.10 -2.73 -0.03 0.00 0.00 0.00 0.00 34.95 32.08 2kom s ARG 510 CO 0.42 0.68 0.70 -0.51 0.00 0.00 0.00 175.30 176.59 2kom s LEU 511 N -1.02 4.29 -0.09 -0.88 2.01 0.10 0.65 118.68 123.75 2kom s LEU 511 Ca 0.14 1.15 -0.12 0.00 0.01 0.00 0.00 54.13 55.32 2kom s LEU 511 Cb -0.11 -3.07 -0.04 0.00 0.01 0.00 0.00 46.19 42.98 2kom s LEU 511 CO 0.04 -0.14 -0.23 -0.38 1.01 0.00 0.00 176.35 176.64 2kom n ILE 512 N 3.90 1.38 -3.55 -0.59 2.08 -0.46 -4.17 119.36 117.95 2kom n ILE 512 Ca -0.01 0.19 -0.17 0.00 0.56 0.00 0.00 62.75 63.32 2kom n ILE 512 Cb 0.51 -2.07 -0.06 0.00 -0.75 0.00 0.00 39.64 37.27 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 -2.58 1.00 -0.09 0.38 -1.05 -0.90 -2.88 118.70 112.58 2kom s GLU 513 Ca -0.20 0.26 0.03 0.00 -0.15 0.00 0.00 54.97 54.92 2kom s GLU 513 Cb 0.03 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 2kom s GLU 513 CO 0.29 -0.30 -0.20 0.54 0.95 0.00 0.00 175.26 176.54 2kom s VAL 514 N -1.09 1.74 0.00 1.83 0.11 -1.00 0.05 120.40 122.04 2kom s VAL 514 Ca -0.10 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2kom s VAL 514 Cb -0.01 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 2kom s VAL 514 CO 0.09 0.49 0.00 0.59 -3.33 0.00 0.00 175.10 172.94 2kom n ASN 515 N 3.63 -1.63 0.00 3.54 4.13 0.19 -1.22 115.26 123.91 2kom n ASN 515 Ca -0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.06 2kom n ASN 515 Cb 0.53 -2.66 0.00 0.00 -1.54 0.00 0.00 39.78 36.11 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 -1.22 0.92 3.78 7.41 0.00 -1.26 -5.01 105.19 109.80 2kom n GLY 516 Ca 0.00 0.00 -0.38 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 5.13 0.37 1.61 1.01 -0.35 -5.05 120.40 121.12 2kom s VAL 517 Ca 0.00 0.83 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2kom s VAL 517 Cb 0.00 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 2kom s VAL 517 CO 0.00 0.46 1.00 -1.81 0.00 0.00 0.00 175.10 174.74 2kom s ASP 518 N -0.21 7.02 -0.23 3.32 1.01 -1.26 -2.37 116.67 123.94 2kom s ASP 518 Ca 0.23 1.92 0.05 0.00 0.71 0.00 0.00 52.55 55.46 2kom s ASP 518 Cb -0.16 -2.58 -0.17 0.00 1.01 0.00 0.00 42.92 41.03 2kom s ASP 518 CO 0.11 -0.30 -0.16 0.18 0.21 0.00 0.00 175.17 175.20 2kom n LEU 519 N 0.13 2.43 -4.57 1.23 4.77 -1.14 -4.67 117.00 115.18 2kom n LEU 519 Ca 0.04 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2kom n LEU 519 Cb 0.50 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2kom n LEU 519 CO 0.44 0.82 1.18 -0.69 -1.33 0.00 0.00 177.39 177.81 2kom s VAL 520 N -2.48 3.87 0.00 4.08 1.01 -1.26 -1.33 120.40 124.30 2kom s VAL 520 Ca -0.28 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2kom s VAL 520 Cb 0.08 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kom s VAL 520 CO 0.60 -1.32 0.00 0.61 0.00 0.00 0.00 175.10 174.99 2kom n GLY 521 N 5.19 1.23 3.69 4.51 0.00 -1.26 -5.11 105.19 113.43 2kom n GLY 521 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 2.07 0.48 1.61 -2.85 -0.44 -5.15 119.74 115.46 2kom s LYS 522 Ca 0.00 -2.17 -0.03 0.00 -1.00 0.00 0.00 55.97 52.77 2kom s LYS 522 Cb 0.00 -1.66 -0.02 0.00 -2.06 0.00 0.00 37.83 34.09 2kom s LYS 522 CO 0.00 -0.17 0.75 -1.12 0.10 0.00 0.00 175.35 174.91 2kom s SER 523 N -3.80 6.05 0.16 0.03 0.01 -1.26 -4.97 113.70 109.92 2kom s SER 523 Ca 0.27 0.70 -0.15 0.00 1.31 0.00 0.00 55.95 58.07 2kom s SER 523 Cb 0.06 -1.98 0.07 0.00 0.21 0.00 0.00 66.02 64.39 2kom s SER 523 CO 0.14 -0.66 1.78 -0.61 0.41 0.00 0.00 173.24 174.30 2kom h GLN 524 N 0.25 0.40 -0.42 12.44 4.15 -1.96 -2.11 115.11 127.87 2kom h GLN 524 Ca -0.47 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 58.98 2kom h GLN 524 Cb 1.23 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2kom h GLN 524 CO 0.61 0.26 0.28 0.93 -1.93 0.00 0.00 178.83 178.98 2kom h GLU 525 N 0.41 0.35 -0.52 1.69 5.08 -1.98 0.31 114.58 119.92 2kom h GLU 525 Ca 0.18 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2kom h GLU 525 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2kom h GLU 525 CO -0.13 0.23 0.01 0.93 -1.00 0.00 0.00 179.01 179.05 2kom h GLU 526 N 0.36 0.91 -0.26 2.33 5.08 -1.78 -1.64 114.58 119.57 2kom h GLU 526 Ca 0.18 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2kom h GLU 526 Cb 0.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kom h GLU 526 CO -0.04 0.93 -0.46 0.28 -1.00 0.00 0.00 179.01 178.72 2kom h VAL 527 N 0.78 1.30 -0.53 3.13 2.07 -0.53 -1.46 116.25 121.01 2kom h VAL 527 Ca 0.15 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 2kom h VAL 527 Cb 0.52 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2kom h VAL 527 CO 0.03 0.53 -0.01 -0.37 0.02 0.00 0.00 177.57 177.77 2kom h VAL 528 N 0.55 1.26 -0.57 2.57 -1.51 -0.33 0.21 116.25 118.42 2kom h VAL 528 Ca 0.03 -1.12 -0.03 0.00 -1.23 0.00 0.00 66.70 64.35 2kom h VAL 528 Cb 1.01 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.06 2kom h VAL 528 CO 0.09 0.40 0.23 -1.28 -1.23 0.00 0.00 177.57 175.78 2kom h SER 529 N 0.82 0.78 -0.50 4.19 0.87 -1.21 0.58 113.55 119.09 2kom h SER 529 Ca 0.15 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kom h SER 529 Cb 0.54 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2kom h SER 529 CO 0.03 0.74 0.33 0.25 -0.53 0.00 0.00 176.83 177.65 2kom h LEU 530 N 0.78 0.57 0.02 2.23 5.85 -0.88 -0.38 115.31 123.51 2kom h LEU 530 Ca 0.19 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 2kom h LEU 530 Cb 0.20 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.09 2kom h LEU 530 CO -0.02 0.41 -0.25 0.25 -0.34 0.00 0.00 178.44 178.50 2kom h LEU 531 N 0.67 0.18 -0.91 2.25 5.85 0.23 -3.31 115.31 120.27 2kom h LEU 531 Ca 0.18 -0.87 0.05 0.00 0.84 0.00 0.00 57.88 58.09 2kom h LEU 531 Cb -0.07 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2kom h LEU 531 CO -0.04 1.03 0.58 0.03 -0.34 0.00 0.00 178.44 179.70 2kom h ARG 532 N -0.64 1.06 -0.02 1.25 2.47 0.47 -1.60 114.38 117.36 2kom h ARG 532 Ca -0.04 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2kom h ARG 532 Cb 1.09 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 29.17 2kom h ARG 532 CO 0.05 0.70 -0.00 0.77 0.56 0.00 0.00 179.97 182.04 2kom h SER 533 N 1.09 0.02 0.00 7.04 0.02 -1.19 -3.46 113.55 117.07 2kom h SER 533 Ca 0.38 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2kom h SER 533 Cb 0.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2kom h SER 533 CO -0.15 0.03 0.00 0.41 -1.14 0.00 0.00 176.83 175.98 2kom n THR 534 N -4.52 0.00 0.00 -2.27 -1.04 -0.61 -4.66 114.28 101.19 2kom n THR 534 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2kom n THR 534 Cb 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.24 -2.82 4.81 -1.26 -4.78 118.16 114.34 2kom n LYS 535 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 2kom n LYS 535 Cb 0.00 0.00 0.60 0.00 0.02 0.00 0.00 35.03 35.65 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 0.00 0.34 1.64 2.86 -1.95 -2.80 114.93 115.01 2kom h MET 536 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 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 0.19 -0.16 1.49 1.06 0.00 0.00 176.91 179.49 2kom h GLU 537 N 0.00 -0.43 0.00 1.72 4.22 -1.98 -3.49 114.58 114.62 2kom h GLU 537 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2kom h GLU 537 Cb 0.49 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kom h GLU 537 CO 0.02 -0.29 0.00 0.41 -2.18 0.00 0.00 179.01 176.97 2kom n GLY 538 N -0.52 1.80 3.86 1.92 0.00 -1.06 -4.97 105.19 106.22 2kom n GLY 538 Ca -0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 5.12 0.01 2.61 2.01 -1.26 -0.36 115.64 123.77 2kom s THR 539 Ca 0.00 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.67 2kom s THR 539 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2kom s THR 539 CO 0.00 0.46 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.47 2kom s VAL 540 N -1.21 1.84 -0.33 3.82 1.01 0.13 -4.77 120.40 120.89 2kom s VAL 540 Ca 0.27 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2kom s VAL 540 Cb -0.15 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2kom s VAL 540 CO 0.14 0.40 0.15 -0.44 0.00 0.00 0.00 175.10 175.35 2kom s SER 541 N -0.85 5.48 -0.28 3.32 0.01 -1.26 -1.21 113.70 118.91 2kom s SER 541 Ca 0.09 -0.75 -0.10 0.00 1.31 0.00 0.00 55.95 56.50 2kom s SER 541 Cb -0.09 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 2kom s SER 541 CO 0.00 -0.26 0.15 -0.76 0.41 0.00 0.00 173.24 172.79 2kom s LEU 542 N 1.55 3.91 -0.30 2.44 2.01 0.23 0.53 118.68 129.04 2kom s LEU 542 Ca 0.03 -0.17 -0.09 0.00 0.01 0.00 0.00 54.13 53.91 2kom s LEU 542 Cb -0.18 -2.05 -0.01 0.00 0.01 0.00 0.00 46.19 43.96 2kom s LEU 542 CO 0.05 -0.08 0.14 -0.22 1.01 0.00 0.00 176.35 177.25 2kom s LEU 543 N 1.70 4.03 0.29 1.79 1.98 0.11 0.09 118.68 128.66 2kom s LEU 543 Ca 0.06 -0.51 0.11 0.00 -2.89 0.00 0.00 54.13 50.90 2kom s LEU 543 Cb -0.16 -1.99 -0.05 0.00 0.66 0.00 0.00 46.19 44.65 2kom s LEU 543 CO 0.08 -0.18 -0.11 0.68 -1.89 0.00 0.00 176.35 174.94 2kom s VAL 544 N 1.60 2.77 -0.24 1.68 -7.23 -0.07 -1.35 120.40 117.56 2kom s VAL 544 Ca 0.05 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2kom s VAL 544 Cb -0.17 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.22 2kom s VAL 544 CO 0.06 -0.35 -0.03 0.12 -0.31 0.00 0.00 175.10 174.59 2kom s PHE 545 N -2.46 3.02 -0.16 2.82 5.36 0.21 -0.27 117.98 126.49 2kom s PHE 545 Ca 0.31 -1.09 -0.05 0.00 -0.96 0.00 0.00 56.93 55.14 2kom s PHE 545 Cb -0.04 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 2kom s PHE 545 CO 0.17 -0.60 0.02 0.50 -1.46 0.00 0.00 175.22 173.86 2kom s ARG 546 N 1.45 3.71 0.13 10.12 3.52 0.61 -1.14 118.95 137.33 2kom s ARG 546 Ca 0.04 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 54.94 2kom s ARG 546 Cb -0.15 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 2kom s ARG 546 CO -0.03 0.35 0.99 1.14 -0.81 0.00 0.00 175.30 176.95 2kom s GLN 547 N 0.11 4.68 -0.44 5.12 -2.07 -1.26 0.04 119.66 125.84 2kom s GLN 547 Ca 0.03 1.52 -0.08 0.00 -1.82 0.00 0.00 55.36 55.00 2kom s GLN 547 Cb -0.13 -3.35 0.10 0.00 -1.09 0.00 0.00 33.01 28.54 2kom s GLN 547 CO 0.01 0.19 0.29 -2.00 -1.32 0.00 0.00 175.29 172.46 2kom s GLU 548 N -0.10 2.47 0.00 9.60 2.12 -1.26 -4.86 118.70 126.67 2kom s GLU 548 Ca 0.47 -1.65 0.02 0.00 0.36 0.00 0.00 54.97 54.18 2kom s GLU 548 Cb -0.25 -3.82 0.02 0.00 0.26 0.00 0.00 34.13 30.34 2kom s GLU 548 CO 0.31 -1.08 0.57 -0.25 -0.54 0.00 0.00 175.26 174.27