#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kom h SER 450 N 0.00 0.75 -5.07 1.61 0.87 -2.13 -3.46 113.55 106.13 2kom h SER 450 Ca 0.00 -0.62 -0.12 0.00 -1.23 0.00 0.00 61.79 59.82 2kom h SER 450 Cb 0.00 -0.22 -0.18 0.00 -0.44 0.00 0.00 62.40 61.56 2kom h SER 450 CO 0.00 1.25 -0.48 -0.31 -0.53 0.00 0.00 176.83 176.75 2kom s TYR 451 N -3.77 0.14 -0.39 2.24 2.02 -1.26 -5.11 117.35 111.22 2kom s TYR 451 Ca -0.12 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 2kom s TYR 451 Cb 0.07 -0.10 0.02 0.00 -0.40 0.00 0.00 41.96 41.55 2kom s TYR 451 CO 0.86 -0.37 1.16 -0.80 -1.57 0.00 0.00 175.55 174.82 2kom s ASN 452 N -2.03 6.73 -0.71 2.29 -0.87 -1.26 -4.95 114.94 114.14 2kom s ASN 452 Ca -0.06 0.82 -0.27 0.00 -1.57 0.00 0.00 52.86 51.79 2kom s ASN 452 Cb -0.02 -2.55 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 2kom s ASN 452 CO -0.04 -1.10 1.53 -0.89 -2.57 0.00 0.00 177.10 174.03 2kom s THR 453 N 4.22 3.58 -0.46 1.60 2.01 -1.26 -4.93 115.64 120.39 2kom s THR 453 Ca 0.49 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 2kom s THR 453 Cb -0.11 -4.53 0.12 0.00 0.01 0.00 0.00 72.50 67.99 2kom s THR 453 CO 0.24 -1.48 0.30 -0.54 -0.69 0.00 0.00 174.62 172.45 2kom s LYS 454 N 6.24 2.28 -0.12 4.92 1.02 -1.26 -5.01 119.74 127.80 2kom s LYS 454 Ca 0.49 -1.88 -0.03 0.00 0.02 0.00 0.00 55.97 54.57 2kom s LYS 454 Cb -0.09 -3.76 0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2kom s LYS 454 CO 0.16 -1.14 0.04 0.15 -0.92 0.00 0.00 175.35 173.64 2kom s LYS 455 N 1.10 0.38 0.00 1.68 1.02 -1.26 -4.96 119.74 117.70 2kom s LYS 455 Ca 0.08 -0.03 0.25 0.00 0.02 0.00 0.00 55.97 56.29 2kom s LYS 455 Cb -0.24 -1.39 0.87 0.00 -0.52 0.00 0.00 37.83 36.55 2kom s LYS 455 CO -0.03 -0.48 1.63 0.44 -0.92 0.00 0.00 175.35 175.99 2kom n ILE 456 N 5.18 0.10 0.00 2.17 -5.35 -1.26 -4.79 119.36 115.40 2kom n ILE 456 Ca -0.07 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2kom n ILE 456 Cb 0.49 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2kom n ILE 456 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kom n GLY 457 N 1.18 3.83 3.25 3.28 0.00 -1.26 -0.47 105.19 115.00 2kom n GLY 457 Ca 0.18 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.70 1.32 -0.06 1.61 0.00 -1.09 -4.95 119.74 114.87 2kom s LYS 458 Ca 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 55.97 54.20 2kom s LYS 458 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 37.83 37.85 2kom s LYS 458 CO 0.00 -0.37 0.19 1.03 0.00 0.00 0.00 175.35 176.20 2kom s ARG 459 N -4.07 3.50 -0.06 1.78 0.52 -1.26 -2.60 118.95 116.76 2kom s ARG 459 Ca 0.38 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 2kom s ARG 459 Cb 0.07 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 2kom s ARG 459 CO 0.13 0.73 -0.20 -0.51 0.02 0.00 0.00 175.30 175.47 2kom s LEU 460 N -1.38 1.95 -0.32 2.53 2.01 0.53 -4.90 118.68 119.09 2kom s LEU 460 Ca 0.21 -0.42 -0.12 0.00 0.01 0.00 0.00 54.13 53.80 2kom s LEU 460 Cb -0.13 -1.13 -0.03 0.00 0.01 0.00 0.00 46.19 44.91 2kom s LEU 460 CO 0.10 0.16 0.23 0.54 1.01 0.00 0.00 176.35 178.39 2kom s ASN 461 N 0.12 6.04 -0.12 2.29 4.22 -1.25 -0.87 114.94 125.36 2kom s ASN 461 Ca -0.08 -0.31 0.02 0.00 -2.14 0.00 0.00 52.86 50.35 2kom s ASN 461 Cb -0.14 -2.13 0.01 0.00 1.28 0.00 0.00 41.25 40.27 2kom s ASN 461 CO 0.04 -0.18 -0.18 -0.63 -2.04 0.00 0.00 177.10 174.11 2kom s ILE 462 N 1.73 1.71 -0.16 0.54 1.01 0.15 -4.89 121.20 121.29 2kom s ILE 462 Ca 0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2kom s ILE 462 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2kom s ILE 462 CO 0.11 0.48 0.51 -1.10 0.00 0.00 0.00 174.94 174.94 2kom s GLN 463 N 0.95 4.26 0.03 2.79 -0.21 -1.26 0.87 119.66 127.09 2kom s GLN 463 Ca -0.06 0.45 0.07 0.00 0.02 0.00 0.00 55.36 55.83 2kom s GLN 463 Cb -0.15 -3.51 -0.03 0.00 1.00 0.00 0.00 33.01 30.32 2kom s GLN 463 CO -0.02 -0.02 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.45 2kom s LEU 464 N 1.19 2.63 -0.13 2.90 2.01 0.74 -4.91 118.68 123.11 2kom s LEU 464 Ca 0.25 -0.39 -0.06 0.00 0.01 0.00 0.00 54.13 53.95 2kom s LEU 464 Cb -0.15 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.47 2kom s LEU 464 CO 0.10 0.27 0.08 -0.75 1.01 0.00 0.00 176.35 177.06 2kom s LYS 465 N -1.33 3.50 -0.64 1.70 2.47 -1.26 -0.37 119.74 123.80 2kom s LYS 465 Ca 0.14 -0.27 -0.27 0.00 -1.56 0.00 0.00 55.97 54.01 2kom s LYS 465 Cb -0.11 -3.09 -0.12 0.00 -1.46 0.00 0.00 37.83 33.06 2kom s LYS 465 CO 0.05 0.59 2.49 1.17 0.16 0.00 0.00 175.35 179.81 2kom n LYS 466 N 2.54 0.74 0.00 4.03 4.81 0.14 -4.39 118.16 126.03 2kom n LYS 466 Ca -0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 2kom n LYS 466 Cb 0.54 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 6.16 1.17 0.23 3.14 0.00 -1.26 -4.69 105.19 109.94 2kom n GLY 467 Ca 0.45 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 0.86 -0.24 2.61 2.02 -1.77 -2.26 112.91 114.14 2kom h THR 468 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2kom h THR 468 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2kom h THR 468 CO 0.00 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.36 2kom n GLU 469 N -4.92 2.86 0.00 6.66 1.02 -1.19 -4.99 120.64 120.08 2kom n GLU 469 Ca 0.07 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 2kom n GLU 469 Cb 0.21 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.21 2.48 3.35 0.62 0.00 -0.85 -4.72 105.19 106.28 2kom n GLY 470 Ca 0.08 -0.40 -0.54 0.00 0.00 0.00 0.00 46.02 45.16 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 1.18 -2.79 0.99 7.99 -1.26 0.18 117.00 123.30 2kom n LEU 471 Ca 0.00 0.50 -0.39 0.00 -0.01 0.00 0.00 56.01 56.12 2kom n LEU 471 Cb 0.00 -1.04 0.05 0.00 -0.11 0.00 0.00 43.42 42.32 2kom n LEU 471 CO 0.00 -0.78 1.52 0.61 -1.51 0.00 0.00 177.39 177.23 2kom n GLY 472 N 7.05 5.60 2.95 -0.72 0.00 -1.26 -4.65 105.19 114.16 2kom n GLY 472 Ca 0.51 -2.45 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.02 0.09 -0.05 1.61 -0.71 -1.26 -1.10 117.98 112.53 2kom s PHE 473 Ca 0.55 -0.17 0.04 0.00 -1.04 0.00 0.00 56.93 56.30 2kom s PHE 473 Cb 0.46 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2kom s PHE 473 CO -0.33 -0.11 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.17 2kom s SER 474 N -0.69 3.95 0.12 1.98 0.01 0.47 -4.91 113.70 114.64 2kom s SER 474 Ca -0.08 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.03 2kom s SER 474 Cb -0.05 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.29 2kom s SER 474 CO -0.00 0.33 -0.05 0.27 0.41 0.00 0.00 173.24 174.20 2kom s ILE 475 N -0.66 3.61 0.01 1.44 -4.36 -1.26 0.95 121.20 120.93 2kom s ILE 475 Ca 0.10 -1.25 -0.07 0.00 -0.26 0.00 0.00 60.65 59.16 2kom s ILE 475 Cb -0.11 -2.73 -0.00 0.00 1.25 0.00 0.00 42.46 40.87 2kom s ILE 475 CO 0.01 0.05 0.14 0.28 0.24 0.00 0.00 174.94 175.65 2kom s THR 476 N -1.38 0.09 -0.05 8.37 -1.32 0.67 -4.76 115.64 117.26 2kom s THR 476 Ca 0.24 -0.78 -0.02 0.00 -1.21 0.00 0.00 61.69 59.92 2kom s THR 476 Cb -0.11 -0.55 0.04 0.00 -1.51 0.00 0.00 72.50 70.37 2kom s THR 476 CO 0.16 -0.43 0.12 -0.94 -2.21 0.00 0.00 174.62 171.32 2kom s SER 477 N -1.57 -0.06 0.00 8.08 1.04 -1.26 -1.15 113.70 118.78 2kom s SER 477 Ca -0.12 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2kom s SER 477 Cb -0.06 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2kom s SER 477 CO 0.00 -0.15 0.42 0.54 0.98 0.00 0.00 173.24 175.03 2kom n ARG 478 N 4.22 0.00 -0.31 4.02 1.74 -1.26 -4.85 116.66 120.22 2kom n ARG 478 Ca -0.27 -0.25 0.08 0.00 -0.77 0.00 0.00 57.85 56.64 2kom n ARG 478 Cb 0.51 -0.17 0.24 0.00 -1.02 0.00 0.00 32.46 32.02 2kom n ARG 478 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kom n ASP 479 N 0.00 3.52 -4.57 0.55 9.92 -1.26 -4.85 116.55 119.87 2kom n ASP 479 Ca 0.00 -2.13 -0.41 0.00 -0.53 0.00 0.00 54.79 51.72 2kom n ASP 479 Cb 0.53 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2kom n ASP 479 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kom s VAL 480 N -1.23 4.00 0.00 2.53 0.11 -1.26 -4.27 120.40 120.27 2kom s VAL 480 Ca 0.36 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2kom s VAL 480 Cb 0.20 -5.09 0.00 0.00 -1.53 0.00 0.00 36.38 29.96 2kom s VAL 480 CO 0.22 -1.94 0.17 1.07 -3.33 0.00 0.00 175.10 171.29 2kom n THR 481 N 6.69 0.00 -0.33 5.04 5.66 -1.26 -4.76 114.28 125.32 2kom n THR 481 Ca 0.42 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.51 2kom n THR 481 Cb 0.48 1.07 0.27 0.00 -1.55 0.00 0.00 70.33 70.60 2kom n THR 481 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2kom n ILE 482 N 0.00 1.05 0.00 1.09 -0.00 -1.26 -5.02 119.36 115.22 2kom n ILE 482 Ca 0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 62.75 61.73 2kom n ILE 482 Cb 0.37 0.48 0.00 0.00 -0.00 0.00 0.00 39.64 40.49 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 1.23 0.66 0.00 7.39 0.00 -1.26 -4.75 105.19 108.45 2kom n GLY 483 Ca 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 2.20 2.53 -0.02 0.00 -1.26 -4.81 105.19 103.83 2kom n GLY 484 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.42 6.24 -4.61 1.61 3.41 -1.26 -4.85 113.62 113.74 2kom n SER 485 Ca 0.00 -2.70 -0.43 0.00 -0.26 0.00 0.00 58.87 55.48 2kom n SER 485 Cb 0.25 -1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 62.58 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kom s ALA 486 N 2.73 3.08 0.15 7.33 0.00 -1.26 -4.60 121.76 129.18 2kom s ALA 486 Ca 0.58 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 2kom s ALA 486 Cb 0.16 -3.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 2kom s ALA 486 CO -0.07 -2.29 1.04 -2.14 0.00 0.00 0.00 175.76 172.30 2kom s PRO 487 N 5.11 4.64 -0.26 0.00 0.02 -1.26 -4.65 135.00 138.60 2kom s PRO 487 Ca 0.73 1.61 -0.20 0.00 0.02 0.00 0.00 61.00 63.16 2kom s PRO 487 Cb -0.22 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 2kom s PRO 487 CO 0.32 0.13 0.59 0.42 -0.33 0.00 0.00 177.00 178.13 2kom s ILE 488 N -0.12 5.01 0.16 2.83 -1.09 -1.26 -4.36 121.20 122.37 2kom s ILE 488 Ca 0.48 1.05 0.10 0.00 -2.23 0.00 0.00 60.65 60.05 2kom s ILE 488 Cb -0.27 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2kom s ILE 488 CO 0.33 0.04 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.54 2kom s TYR 489 N 2.45 2.14 -0.23 3.97 2.02 -0.30 0.27 117.35 127.66 2kom s TYR 489 Ca 0.25 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 2kom s TYR 489 Cb -0.16 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2kom s TYR 489 CO 0.09 0.39 1.12 0.08 -1.57 0.00 0.00 175.55 175.66 2kom s VAL 490 N -1.54 4.52 -0.15 0.71 1.01 0.85 -0.24 120.40 125.56 2kom s VAL 490 Ca 0.16 1.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.78 2kom s VAL 490 Cb -0.08 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 2kom s VAL 490 CO 0.08 -0.24 0.29 0.50 0.00 0.00 0.00 175.10 175.72 2kom h LYS 491 N 7.87 0.00 -3.82 2.72 3.64 0.28 -2.38 116.57 124.87 2kom h LYS 491 Ca -0.22 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.03 2kom h LYS 491 Cb 1.07 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.71 2kom h LYS 491 CO 0.99 0.62 -0.55 1.21 -2.27 0.00 0.00 179.45 179.44 2kom s ASN 492 N -6.17 0.19 -0.33 4.20 3.04 -1.21 -4.68 114.94 109.97 2kom s ASN 492 Ca -0.17 -0.53 -0.06 0.00 0.04 0.00 0.00 52.86 52.15 2kom s ASN 492 Cb 0.01 0.21 0.04 0.00 -1.54 0.00 0.00 41.25 39.97 2kom s ASN 492 CO 0.43 -0.47 0.08 -0.63 -3.04 0.00 0.00 177.10 173.47 2kom s ILE 493 N -2.42 3.65 0.08 -5.21 -1.09 -1.26 -0.39 121.20 114.55 2kom s ILE 493 Ca -0.07 -1.16 -0.35 0.00 -2.23 0.00 0.00 60.65 56.85 2kom s ILE 493 Cb -0.02 -3.06 -0.14 0.00 -1.58 0.00 0.00 42.46 37.65 2kom s ILE 493 CO -0.04 -0.15 1.56 0.18 -1.23 0.00 0.00 174.94 175.26 2kom n LEU 494 N 4.78 2.69 -0.52 2.97 4.32 -0.26 -4.82 117.00 126.15 2kom n LEU 494 Ca -0.13 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 2kom n LEU 494 Cb 0.45 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 2kom n LEU 494 CO 0.31 -0.48 0.11 -0.81 -1.22 0.00 0.00 177.39 175.30 2kom n PRO 495 N 3.72 0.42 0.00 3.23 -0.04 -1.26 -2.20 135.00 138.88 2kom n PRO 495 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2kom n PRO 495 Cb 0.25 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.31 0.00 -0.15 0.54 1.85 -1.26 -5.03 116.66 112.92 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 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.52 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 -0.47 0.17 2.89 0.00 -0.93 -2.62 105.19 104.22 2kom n GLY 497 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.58 0.48 -0.96 4.61 0.00 0.17 -1.84 119.26 120.15 2kom h ALA 498 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2kom h ALA 498 Cb 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2kom h ALA 498 CO 0.00 -0.26 0.61 0.00 0.00 0.00 0.00 179.25 179.60 2kom h ALA 499 N 1.28 1.32 0.25 0.00 0.00 -1.80 0.84 119.26 121.16 2kom h ALA 499 Ca 0.20 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 2kom h ALA 499 Cb 0.20 -0.28 0.04 0.00 0.00 0.00 0.00 17.79 17.75 2kom h ALA 499 CO -0.22 0.39 -1.42 0.97 0.00 0.00 0.00 179.25 178.97 2kom h ILE 500 N 1.11 1.30 -0.42 0.00 2.10 -1.72 0.10 117.51 119.98 2kom h ILE 500 Ca 0.41 -2.68 -0.11 0.00 1.08 0.00 0.00 64.86 63.56 2kom h ILE 500 Cb 0.17 3.06 -0.02 0.00 -1.09 0.00 0.00 36.82 38.94 2kom h ILE 500 CO -0.17 0.80 -0.18 1.56 -1.08 0.00 0.00 178.15 179.07 2kom h GLN 501 N 0.10 0.82 0.00 2.19 1.08 -0.86 -2.60 115.11 115.84 2kom h GLN 501 Ca -0.25 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.58 2kom h GLN 501 Cb 2.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.50 2kom h GLN 501 CO 0.27 0.94 -1.28 -0.25 -0.95 0.00 0.00 178.83 177.55 2kom n ASP 502 N -4.13 0.73 -2.93 1.46 9.92 0.25 -5.00 116.55 116.84 2kom n ASP 502 Ca 0.01 0.29 -0.13 0.00 -0.53 0.00 0.00 54.79 54.43 2kom n ASP 502 Cb 0.42 0.57 0.06 0.00 -0.64 0.00 0.00 41.12 41.53 2kom n ASP 502 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kom n GLY 503 N 1.27 -0.53 0.77 0.44 0.00 0.31 -4.98 105.19 102.47 2kom n GLY 503 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.15 0.00 -2.43 1.61 5.12 -0.95 -5.02 116.66 111.83 2kom n ARG 504 Ca -0.13 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.38 2kom n ARG 504 Cb 0.61 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.87 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 -3.94 4.50 0.40 0.55 2.96 -1.26 -5.05 118.68 116.84 2kom s LEU 505 Ca 0.00 2.25 0.04 0.00 -0.22 0.00 0.00 54.13 56.19 2kom s LEU 505 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 2kom s LEU 505 CO 0.00 -0.25 0.07 -1.59 -1.32 0.00 0.00 176.35 173.26 2kom s LYS 506 N -0.89 1.88 0.16 1.98 0.00 -1.26 -4.67 119.74 116.94 2kom s LYS 506 Ca 0.48 -2.12 -0.26 0.00 0.00 0.00 0.00 55.97 54.07 2kom s LYS 506 Cb -0.32 -0.99 -0.08 0.00 0.00 0.00 0.00 37.83 36.44 2kom s LYS 506 CO 0.39 -0.30 0.82 0.00 0.00 0.00 0.00 175.35 176.26 2kom s ALA 507 N -3.12 3.40 0.00 0.59 0.00 -1.26 -4.02 121.76 117.35 2kom s ALA 507 Ca 0.26 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2kom s ALA 507 Cb 0.05 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2kom s ALA 507 CO 0.13 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2kom n GLY 508 N 1.74 1.19 3.80 0.00 0.00 -0.90 -5.04 105.19 105.98 2kom n GLY 508 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 5.21 -0.16 1.61 1.11 -1.26 -4.87 116.67 116.31 2kom s ASP 509 Ca 0.00 -0.46 -0.08 0.00 0.18 0.00 0.00 52.55 52.20 2kom s ASP 509 Cb 0.00 -1.09 -0.04 0.00 1.07 0.00 0.00 42.92 42.85 2kom s ASP 509 CO 0.00 -0.18 0.11 -0.60 1.18 0.00 0.00 175.17 175.68 2kom s ARG 510 N -3.88 3.77 -0.01 8.23 3.52 -1.21 -0.10 118.95 129.27 2kom s ARG 510 Ca 0.36 -0.23 -0.23 0.00 -0.13 0.00 0.00 55.73 55.50 2kom s ARG 510 Cb -0.06 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 2kom s ARG 510 CO 0.25 0.50 0.68 -0.51 -0.81 0.00 0.00 175.30 175.40 2kom s LEU 511 N -0.23 4.39 -0.11 -0.88 2.01 0.14 -0.49 118.68 123.51 2kom s LEU 511 Ca 0.10 1.24 0.01 0.00 0.01 0.00 0.00 54.13 55.50 2kom s LEU 511 Cb -0.12 -3.06 -0.07 0.00 0.01 0.00 0.00 46.19 42.95 2kom s LEU 511 CO 0.01 -0.00 -0.08 -0.38 1.01 0.00 0.00 176.35 176.90 2kom n ILE 512 N 3.14 0.61 -3.65 -0.59 2.08 0.11 -4.24 119.36 116.81 2kom n ILE 512 Ca -0.04 -0.25 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 2kom n ILE 512 Cb 0.51 -0.87 -0.08 0.00 -0.75 0.00 0.00 39.64 38.45 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 -2.21 0.82 -0.05 0.38 2.12 -0.84 -3.32 118.70 115.61 2kom s GLU 513 Ca -0.14 0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.33 2kom s GLU 513 Cb 0.04 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.83 2kom s GLU 513 CO 0.26 -0.23 -0.00 0.54 -0.54 0.00 0.00 175.26 175.29 2kom s VAL 514 N -1.02 0.29 0.00 3.70 0.11 -1.16 0.57 120.40 122.90 2kom s VAL 514 Ca -0.10 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2kom s VAL 514 Cb -0.03 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2kom s VAL 514 CO 0.06 0.20 0.00 -3.20 -3.33 0.00 0.00 175.10 168.84 2kom n ASN 515 N 4.58 0.00 0.00 3.54 2.85 0.23 -1.65 115.26 124.80 2kom n ASN 515 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2kom n ASN 515 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 0.00 0.00 3.20 8.20 0.00 -1.26 -4.44 105.19 110.89 2kom n GLY 516 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 1.79 0.44 1.61 1.01 -0.66 -5.12 120.40 119.48 2kom s VAL 517 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 2kom s VAL 517 Cb 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 2kom s VAL 517 CO 0.00 0.50 1.01 -1.81 0.00 0.00 0.00 175.10 174.80 2kom s ASP 518 N 0.00 6.69 -0.12 3.32 1.11 -1.26 -2.99 116.67 123.43 2kom s ASP 518 Ca -0.06 1.87 -0.03 0.00 0.18 0.00 0.00 52.55 54.51 2kom s ASP 518 Cb -0.14 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.23 2kom s ASP 518 CO 0.04 -0.53 -0.13 0.18 1.18 0.00 0.00 175.17 175.90 2kom n LEU 519 N -0.56 1.74 0.00 1.23 4.77 -1.21 -4.60 117.00 118.36 2kom n LEU 519 Ca 0.07 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 2kom n LEU 519 Cb 0.52 -0.36 0.35 0.00 -2.33 0.00 0.00 43.42 41.60 2kom n LEU 519 CO 0.40 0.43 0.59 1.33 -1.33 0.00 0.00 177.39 178.82 2kom n VAL 520 N -3.23 0.16 -0.33 4.08 0.24 -1.26 -0.74 118.33 117.24 2kom n VAL 520 Ca -0.22 0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.18 2kom n VAL 520 Cb 0.68 -0.85 0.15 0.00 -1.47 0.00 0.00 33.84 32.36 2kom n VAL 520 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kom n GLY 521 N -0.25 3.11 2.62 7.63 0.00 -1.26 -4.56 105.19 112.48 2kom n GLY 521 Ca 0.08 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2kom n GLY 521 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kom n LYS 522 N 0.12 0.50 -3.31 1.61 2.85 0.08 -5.14 118.16 114.86 2kom n LYS 522 Ca 0.12 -2.30 -0.22 0.00 -1.05 0.00 0.00 58.31 54.86 2kom n LYS 522 Cb 0.50 2.13 -0.00 0.00 -0.65 0.00 0.00 35.03 37.01 2kom n LYS 522 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2kom s SER 523 N -2.74 6.02 0.25 -5.58 1.04 -1.26 -4.85 113.70 106.58 2kom s SER 523 Ca 0.25 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 2kom s SER 523 Cb -0.00 -1.58 0.42 0.00 0.10 0.00 0.00 66.02 64.96 2kom s SER 523 CO 0.18 -0.47 1.82 1.56 0.98 0.00 0.00 173.24 177.30 2kom h GLN 524 N 0.70 0.82 -0.15 4.02 1.08 -1.95 -2.38 115.11 117.24 2kom h GLN 524 Ca -0.47 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 56.64 2kom h GLN 524 Cb 1.24 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 2kom h GLN 524 CO 0.57 0.54 -0.07 0.93 -0.95 0.00 0.00 178.83 179.86 2kom h GLU 525 N 0.84 0.22 -0.12 1.46 5.08 -1.99 0.26 114.58 120.34 2kom h GLU 525 Ca 0.41 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 2kom h GLU 525 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kom h GLU 525 CO -0.24 0.30 -0.69 0.93 -1.00 0.00 0.00 179.01 178.31 2kom h GLU 526 N 0.21 0.50 -0.03 2.33 5.08 -1.84 -2.75 114.58 118.09 2kom h GLU 526 Ca 0.05 -0.38 -0.22 0.00 -1.00 0.00 0.00 59.36 57.81 2kom h GLU 526 Cb 0.26 0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kom h GLU 526 CO 0.01 1.01 -0.84 0.28 -1.00 0.00 0.00 179.01 178.47 2kom h VAL 527 N 0.35 1.33 -0.57 3.13 2.07 -0.93 -3.04 116.25 118.59 2kom h VAL 527 Ca -0.02 -2.13 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2kom h VAL 527 Cb 1.26 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 2kom h VAL 527 CO 0.12 0.65 0.28 -0.37 0.02 0.00 0.00 177.57 178.28 2kom h VAL 528 N 0.25 1.20 -0.51 2.57 -1.51 -0.56 -1.49 116.25 116.20 2kom h VAL 528 Ca -0.10 -0.56 -0.06 0.00 -1.23 0.00 0.00 66.70 64.76 2kom h VAL 528 Cb 1.51 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2kom h VAL 528 CO 0.17 0.23 0.06 -1.28 -1.23 0.00 0.00 177.57 175.52 2kom h SER 529 N 0.77 0.77 -0.28 4.19 0.87 -1.56 0.12 113.55 118.43 2kom h SER 529 Ca 0.20 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2kom h SER 529 Cb 0.10 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2kom h SER 529 CO -0.03 0.80 -0.25 0.17 -0.53 0.00 0.00 176.83 176.99 2kom h LEU 530 N 0.77 0.78 -0.29 2.23 8.10 -1.33 -2.23 115.31 123.35 2kom h LEU 530 Ca 0.16 -0.29 -0.01 0.00 0.11 0.00 0.00 57.88 57.84 2kom h LEU 530 Cb 0.38 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.37 2kom h LEU 530 CO 0.01 1.00 0.12 0.25 -4.11 0.00 0.00 178.44 175.71 2kom h LEU 531 N 0.66 0.39 -1.49 0.17 6.46 -0.62 0.18 115.31 121.06 2kom h LEU 531 Ca 0.09 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2kom h LEU 531 Cb 0.77 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2kom h LEU 531 CO 0.06 0.44 0.12 0.03 -0.62 0.00 0.00 178.44 178.47 2kom h ARG 532 N 0.32 0.46 0.02 1.25 2.47 -0.45 -1.76 114.38 116.69 2kom h ARG 532 Ca 0.10 -0.06 -0.24 0.00 -1.26 0.00 0.00 59.98 58.52 2kom h ARG 532 Cb 0.16 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2kom h ARG 532 CO -0.01 0.39 -1.24 0.77 0.56 0.00 0.00 179.97 180.45 2kom h SER 533 N 0.46 0.05 0.00 7.04 0.02 -1.23 -3.48 113.55 116.41 2kom h SER 533 Ca 0.11 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kom h SER 533 Cb 0.11 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kom h SER 533 CO -0.01 1.05 0.00 0.41 -1.14 0.00 0.00 176.83 177.14 2kom n THR 534 N -3.29 0.00 0.00 -2.27 -1.04 0.04 -4.74 114.28 102.97 2kom n THR 534 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2kom n THR 534 Cb 0.98 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.49 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 -0.04 -2.82 3.00 -1.26 -4.86 118.16 112.18 2kom n LYS 535 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.38 2kom n LYS 535 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.35 2kom n LYS 535 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kom n MET 536 N -0.64 1.23 -0.11 1.64 0.00 -1.26 -3.47 117.12 114.52 2kom n MET 536 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 57.70 57.15 2kom n MET 536 Cb 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 33.22 31.92 2kom n MET 536 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2kom n GLU 537 N -0.35 0.55 0.00 3.17 4.07 -1.26 -5.03 120.64 121.79 2kom n GLU 537 Ca 0.10 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 2kom n GLU 537 Cb 0.12 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2kom n GLU 537 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kom n GLY 538 N 1.39 2.42 3.69 8.31 0.00 -1.23 -5.03 105.19 114.75 2kom n GLY 538 Ca -0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.16 4.67 -0.04 2.61 2.01 -1.26 -0.68 115.64 120.79 2kom s THR 539 Ca 0.00 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.96 2kom s THR 539 Cb 0.00 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 2kom s THR 539 CO 0.00 0.56 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.59 2kom s VAL 540 N -0.45 1.70 -0.36 3.82 1.01 0.50 -4.91 120.40 121.71 2kom s VAL 540 Ca 0.09 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 2kom s VAL 540 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2kom s VAL 540 CO 0.02 0.48 0.58 -0.55 0.00 0.00 0.00 175.10 175.63 2kom s SER 541 N -0.18 6.37 -0.28 3.32 0.15 -1.26 -0.19 113.70 121.63 2kom s SER 541 Ca -0.00 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.58 2kom s SER 541 Cb -0.11 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2kom s SER 541 CO 0.02 -0.55 0.21 -0.76 1.20 0.00 0.00 173.24 173.36 2kom s LEU 542 N 2.57 4.05 -0.29 3.45 1.43 0.25 0.75 118.68 130.89 2kom s LEU 542 Ca 0.22 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2kom s LEU 542 Cb -0.15 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2kom s LEU 542 CO 0.14 -0.08 0.13 -0.22 0.23 0.00 0.00 176.35 176.56 2kom s LEU 543 N 1.79 3.94 0.22 1.79 2.96 0.19 0.31 118.68 129.89 2kom s LEU 543 Ca 0.08 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2kom s LEU 543 Cb -0.16 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2kom s LEU 543 CO 0.11 -0.15 -0.19 0.68 -1.32 0.00 0.00 176.35 175.48 2kom s VAL 544 N 1.62 2.14 -0.24 1.68 -7.23 -0.05 0.04 120.40 118.36 2kom s VAL 544 Ca 0.05 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 2kom s VAL 544 Cb -0.17 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2kom s VAL 544 CO 0.06 -0.38 -0.06 0.12 -0.31 0.00 0.00 175.10 174.53 2kom s PHE 545 N -2.37 3.02 -0.06 2.82 5.36 0.35 -0.35 117.98 126.76 2kom s PHE 545 Ca 0.23 -1.38 0.06 0.00 -0.96 0.00 0.00 56.93 54.88 2kom s PHE 545 Cb -0.05 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2kom s PHE 545 CO 0.10 -0.68 -0.25 1.03 -1.46 0.00 0.00 175.22 173.96 2kom s ARG 546 N 1.37 2.54 -0.09 10.12 0.52 -1.07 -3.30 118.95 129.03 2kom s ARG 546 Ca 0.02 -0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 54.17 2kom s ARG 546 Cb -0.16 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 2kom s ARG 546 CO -0.04 0.39 0.41 -1.14 0.02 0.00 0.00 175.30 174.94 2kom s GLN 547 N -0.19 4.18 -0.16 3.54 0.74 -1.26 -2.67 119.66 123.84 2kom s GLN 547 Ca -0.03 0.35 -0.08 0.00 0.05 0.00 0.00 55.36 55.66 2kom s GLN 547 Cb -0.14 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 2kom s GLN 547 CO 0.03 0.35 0.09 -1.21 -0.55 0.00 0.00 175.29 174.00 2kom s GLU 548 N 0.04 3.83 0.00 1.67 2.02 0.38 -4.91 118.70 121.73 2kom s GLU 548 Ca 0.23 -0.27 0.24 0.00 0.02 0.00 0.00 54.97 55.19 2kom s GLU 548 Cb -0.15 -3.23 0.26 0.00 0.10 0.00 0.00 34.13 31.11 2kom s GLU 548 CO 0.10 0.43 1.30 -0.25 0.02 0.00 0.00 175.26 176.85