#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 -0.27 0.07 1.61 0.01 -1.26 -5.14 113.70 108.72 2kom s SER 450 Ca 0.00 -0.51 -0.24 0.00 1.31 0.00 0.00 55.95 56.51 2kom s SER 450 Cb 0.00 0.61 -0.06 0.00 0.21 0.00 0.00 66.02 66.78 2kom s SER 450 CO 0.00 -1.11 0.74 -0.31 0.41 0.00 0.00 173.24 172.97 2kom s TYR 451 N -3.89 3.78 -0.27 2.43 2.02 -1.26 -4.97 117.35 115.19 2kom s TYR 451 Ca 0.10 1.47 -0.28 0.00 -0.37 0.00 0.00 57.07 57.99 2kom s TYR 451 Cb -0.02 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 2kom s TYR 451 CO -0.01 0.36 1.99 -0.80 -1.57 0.00 0.00 175.55 175.52 2kom s ASN 452 N -0.40 5.71 0.10 2.29 0.01 -1.26 -4.82 114.94 116.57 2kom s ASN 452 Ca 0.37 1.60 -0.13 0.00 -0.71 0.00 0.00 52.86 53.99 2kom s ASN 452 Cb -0.21 -2.52 -0.15 0.00 0.41 0.00 0.00 41.25 38.78 2kom s ASN 452 CO 0.23 -1.80 1.31 0.74 -1.51 0.00 0.00 177.10 176.06 2kom h THR 453 N 6.93 1.28 -3.11 1.60 2.02 -2.07 -3.38 112.91 116.19 2kom h THR 453 Ca -0.37 -1.93 -0.75 0.00 0.77 0.00 0.00 66.41 64.13 2kom h THR 453 Cb 1.20 1.96 -0.23 0.00 -1.74 0.00 0.00 68.15 69.34 2kom h THR 453 CO 1.00 0.61 -0.09 -0.54 0.37 0.00 0.00 175.52 176.87 2kom s LYS 454 N -3.79 3.08 -0.01 6.66 3.01 -1.26 -5.00 119.74 122.44 2kom s LYS 454 Ca -0.11 -1.70 0.00 0.00 -1.01 0.00 0.00 55.97 53.16 2kom s LYS 454 Cb 0.08 -4.32 0.01 0.00 -1.01 0.00 0.00 37.83 32.59 2kom s LYS 454 CO 0.90 -1.39 -0.00 -1.59 0.51 0.00 0.00 175.35 173.78 2kom s LYS 455 N 1.72 0.07 -0.24 1.68 -2.85 -1.26 -5.13 119.74 113.73 2kom s LYS 455 Ca 0.07 0.02 -0.02 0.00 -1.00 0.00 0.00 55.97 55.04 2kom s LYS 455 Cb -0.26 -0.14 0.02 0.00 -2.06 0.00 0.00 37.83 35.39 2kom s LYS 455 CO 0.02 -0.03 -0.05 -1.50 0.10 0.00 0.00 175.35 173.89 2kom s ILE 456 N 0.27 3.00 0.12 3.79 2.07 -1.26 -5.02 121.20 124.16 2kom s ILE 456 Ca -0.02 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 2kom s ILE 456 Cb -0.04 -2.49 0.00 0.00 0.13 0.00 0.00 42.46 40.06 2kom s ILE 456 CO -0.01 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.87 2kom n GLY 457 N 4.70 -1.93 3.21 1.50 0.00 -1.25 -4.91 105.19 106.50 2kom n GLY 457 Ca -0.17 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.05 2.41 -0.13 1.61 -0.14 -0.20 -4.95 119.74 116.28 2kom s LYS 458 Ca 0.00 -0.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.77 2kom s LYS 458 Cb 0.00 -1.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.13 2kom s LYS 458 CO 0.00 0.28 0.05 1.03 -0.76 0.00 0.00 175.35 175.95 2kom s ARG 459 N 0.05 3.50 0.01 1.68 0.52 -1.26 0.29 118.95 123.73 2kom s ARG 459 Ca -0.08 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2kom s ARG 459 Cb -0.14 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2kom s ARG 459 CO 0.04 0.52 -0.11 -0.51 0.02 0.00 0.00 175.30 175.26 2kom s LEU 460 N -0.34 2.07 -0.33 2.53 1.02 0.15 -4.93 118.68 118.85 2kom s LEU 460 Ca 0.08 -0.28 -0.14 0.00 0.02 0.00 0.00 54.13 53.81 2kom s LEU 460 Cb -0.12 -0.53 -0.02 0.00 0.02 0.00 0.00 46.19 45.54 2kom s LEU 460 CO 0.02 0.08 0.32 0.54 0.02 0.00 0.00 176.35 177.33 2kom s ASN 461 N -0.54 6.14 -0.13 2.29 2.20 -1.26 -0.70 114.94 122.94 2kom s ASN 461 Ca 0.03 -0.23 0.01 0.00 -0.94 0.00 0.00 52.86 51.73 2kom s ASN 461 Cb -0.05 -2.18 0.02 0.00 -2.00 0.00 0.00 41.25 37.04 2kom s ASN 461 CO 0.00 -0.28 -0.16 -0.63 -2.94 0.00 0.00 177.10 173.09 2kom s ILE 462 N 1.92 1.65 -0.14 0.54 1.01 0.18 -4.96 121.20 121.41 2kom s ILE 462 Ca 0.10 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2kom s ILE 462 Cb -0.17 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2kom s ILE 462 CO 0.11 0.47 0.13 -1.10 0.00 0.00 0.00 174.94 174.55 2kom s GLN 463 N 1.15 3.62 -0.07 2.79 -0.21 -1.26 0.75 119.66 126.43 2kom s GLN 463 Ca -0.02 -0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.23 2kom s GLN 463 Cb -0.14 -3.23 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 2kom s GLN 463 CO -0.05 0.65 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.06 2kom s LEU 464 N -0.65 2.44 -0.24 2.90 2.01 0.14 -4.92 118.68 120.36 2kom s LEU 464 Ca 0.13 -0.36 -0.06 0.00 0.01 0.00 0.00 54.13 53.85 2kom s LEU 464 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.57 2kom s LEU 464 CO 0.02 0.27 0.04 -0.75 1.01 0.00 0.00 176.35 176.94 2kom s LYS 465 N -0.30 3.58 -0.81 1.70 2.36 -1.26 -0.11 119.74 124.90 2kom s LYS 465 Ca 0.01 -0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 52.61 2kom s LYS 465 Cb -0.13 -3.22 -0.17 0.00 -1.05 0.00 0.00 37.83 33.26 2kom s LYS 465 CO 0.03 -0.17 2.58 1.17 1.55 0.00 0.00 175.35 180.50 2kom n LYS 466 N 4.82 0.32 0.00 4.03 4.81 0.97 -4.66 118.16 128.46 2kom n LYS 466 Ca -0.17 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 2kom n LYS 466 Cb 0.51 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 6.42 0.58 0.39 3.14 0.00 -1.26 -4.75 105.19 109.70 2kom n GLY 467 Ca 0.57 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 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 0.30 -0.00 2.61 2.02 -1.79 -3.33 112.91 112.72 2kom h THR 468 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kom h THR 468 Cb 0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2kom h THR 468 CO 0.00 0.00 -0.26 1.21 0.37 0.00 0.00 175.52 176.84 2kom n GLU 469 N -5.50 2.98 0.00 6.66 2.13 -0.84 -4.99 120.64 121.08 2kom n GLU 469 Ca -0.14 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.33 2kom n GLU 469 Cb 0.38 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.11 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kom n GLY 470 N 0.97 -0.89 3.50 8.31 0.00 -1.25 -4.79 105.19 111.04 2kom n GLY 470 Ca 0.03 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 1.51 -2.67 0.99 4.77 -1.26 0.15 117.00 120.49 2kom n LEU 471 Ca 0.00 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 2kom n LEU 471 Cb 0.00 -1.26 -0.01 0.00 -2.33 0.00 0.00 43.42 39.82 2kom n LEU 471 CO 0.00 -1.07 0.14 0.61 -1.33 0.00 0.00 177.39 175.74 2kom n GLY 472 N 6.33 5.45 3.21 -0.72 0.00 -1.26 -4.83 105.19 113.37 2kom n GLY 472 Ca 0.49 -2.62 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.44 1.61 -0.06 1.61 -0.71 -1.26 -0.18 117.98 115.55 2kom s PHE 473 Ca 0.46 -0.36 0.04 0.00 -1.04 0.00 0.00 56.93 56.03 2kom s PHE 473 Cb 0.36 -0.96 -0.02 0.00 -1.21 0.00 0.00 43.02 41.19 2kom s PHE 473 CO -0.15 0.07 -0.16 -1.12 -1.34 0.00 0.00 175.22 172.52 2kom s SER 474 N -1.16 3.89 0.14 1.98 0.01 0.70 -4.97 113.70 114.28 2kom s SER 474 Ca 0.05 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2kom s SER 474 Cb -0.08 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2kom s SER 474 CO 0.02 0.31 0.01 0.27 0.41 0.00 0.00 173.24 174.25 2kom s ILE 475 N -0.54 3.88 0.09 1.44 -4.36 -1.26 0.75 121.20 121.20 2kom s ILE 475 Ca 0.07 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.26 2kom s ILE 475 Cb -0.11 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 2kom s ILE 475 CO 0.01 -0.01 -0.06 0.28 0.24 0.00 0.00 174.94 175.40 2kom s THR 476 N -1.54 0.63 0.01 8.37 -1.32 0.14 -4.76 115.64 117.18 2kom s THR 476 Ca 0.27 -1.89 0.08 0.00 -1.21 0.00 0.00 61.69 58.94 2kom s THR 476 Cb -0.10 -1.62 -0.03 0.00 -1.51 0.00 0.00 72.50 69.24 2kom s THR 476 CO 0.19 -0.87 -0.24 -0.94 -2.21 0.00 0.00 174.62 170.55 2kom s SER 477 N -2.97 3.31 -0.28 8.08 1.04 -1.26 0.33 113.70 121.95 2kom s SER 477 Ca 0.10 -0.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 2kom s SER 477 Cb 0.05 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.76 2kom s SER 477 CO -0.05 0.29 0.05 -0.13 0.98 0.00 0.00 173.24 174.38 2kom s ARG 478 N -0.99 3.12 -0.17 4.02 0.52 -1.08 -4.99 118.95 119.37 2kom s ARG 478 Ca 0.12 -0.83 -0.42 0.00 -0.52 0.00 0.00 55.73 54.08 2kom s ARG 478 Cb -0.10 -3.29 -0.19 0.00 0.52 0.00 0.00 34.95 31.88 2kom s ARG 478 CO 0.01 -0.40 1.30 -3.47 0.02 0.00 0.00 175.30 172.76 2kom n ASP 479 N 4.84 0.66 0.21 0.23 2.03 -1.26 -4.07 116.55 119.19 2kom n ASP 479 Ca -0.15 1.16 0.12 0.00 0.52 0.00 0.00 54.79 56.44 2kom n ASP 479 Cb 0.48 -0.94 0.16 0.00 -0.72 0.00 0.00 41.12 40.10 2kom n ASP 479 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kom h VAL 480 N 3.79 0.03 -5.01 5.18 3.04 -1.94 -3.49 116.25 117.85 2kom h VAL 480 Ca -0.48 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2kom h VAL 480 Cb 1.40 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 2kom h VAL 480 CO 0.78 0.02 -0.36 0.41 -1.01 0.00 0.00 177.57 177.41 2kom n THR 481 N -3.09 -9.82 -2.37 3.17 -1.04 -1.26 -4.70 114.28 95.16 2kom n THR 481 Ca 0.04 0.61 -0.02 0.00 -2.04 0.00 0.00 64.05 62.63 2kom n THR 481 Cb 0.54 -6.83 -0.02 0.00 -1.82 0.00 0.00 70.33 62.20 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 -0.57-10.09 0.00 12.58 2.08 -1.26 -5.04 119.36 117.06 2kom n ILE 482 Ca 0.09 1.77 0.00 0.00 0.56 0.00 0.00 62.75 65.16 2kom n ILE 482 Cb 0.42 -6.03 0.00 0.00 -0.75 0.00 0.00 39.64 33.28 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kom n GLY 483 N 0.91 -0.75 3.20 7.39 0.00 -1.26 -5.14 105.19 109.54 2kom n GLY 483 Ca -0.16 0.62 0.04 0.00 0.00 0.00 0.00 46.02 46.52 2kom n GLY 483 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kom s GLY 484 N 0.00 -0.41 0.00 -0.02 0.00 -1.26 -5.01 107.32 100.61 2kom s GLY 484 Ca 0.00 2.69 0.00 0.00 0.00 0.00 0.00 44.72 47.41 2kom s GLY 484 CO 0.00 3.62 0.00 1.44 0.00 0.00 0.00 173.10 178.16 2kom n SER 485 N 5.36 0.00 -0.12 1.64 7.64 -1.26 -4.79 113.62 122.09 2kom n SER 485 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kom n SER 485 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kom n SER 485 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kom n ALA 486 N 0.00 -1.24 -1.76 -0.43 0.00 -1.26 -4.81 120.51 111.01 2kom n ALA 486 Ca 0.00 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 2kom n ALA 486 Cb 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -5.29 3.55 -0.12 0.00 0.04 -1.26 -4.83 135.00 127.10 2kom s PRO 487 Ca 0.00 2.19 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2kom s PRO 487 Cb 0.00 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2kom s PRO 487 CO 0.00 -0.85 0.32 0.42 0.04 0.00 0.00 177.00 176.93 2kom s ILE 488 N -1.31 5.26 0.08 0.56 -1.09 -1.26 -2.64 121.20 120.80 2kom s ILE 488 Ca 0.65 0.61 0.05 0.00 -2.23 0.00 0.00 60.65 59.73 2kom s ILE 488 Cb -0.39 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 2kom s ILE 488 CO 0.48 0.45 -0.13 -0.31 -1.23 0.00 0.00 174.94 174.20 2kom s TYR 489 N -0.05 1.20 -0.26 3.97 2.02 0.15 -0.50 117.35 123.89 2kom s TYR 489 Ca 0.19 -0.51 -0.25 0.00 -0.37 0.00 0.00 57.07 56.13 2kom s TYR 489 Cb -0.14 -0.66 -0.00 0.00 -0.40 0.00 0.00 41.96 40.76 2kom s TYR 489 CO 0.07 0.06 0.86 0.08 -1.57 0.00 0.00 175.55 175.04 2kom s VAL 490 N -1.63 4.78 -0.13 0.71 1.01 0.63 0.28 120.40 126.04 2kom s VAL 490 Ca 0.01 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 2kom s VAL 490 Cb -0.08 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2kom s VAL 490 CO 0.02 -0.16 0.21 0.50 0.00 0.00 0.00 175.10 175.68 2kom h LYS 491 N 7.80 0.00 -3.91 2.72 1.63 0.03 -1.39 116.57 123.46 2kom h LYS 491 Ca -0.23 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.43 2kom h LYS 491 Cb 1.09 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.53 2kom h LYS 491 CO 0.90 0.41 -0.62 1.21 -3.45 0.00 0.00 179.45 177.90 2kom s ASN 492 N -5.94 0.23 -0.32 4.20 2.47 -1.12 -4.47 114.94 109.98 2kom s ASN 492 Ca -0.12 -0.55 0.01 0.00 0.42 0.00 0.00 52.86 52.62 2kom s ASN 492 Cb 0.00 0.16 0.08 0.00 -1.45 0.00 0.00 41.25 40.05 2kom s ASN 492 CO 0.31 -0.41 0.03 -0.63 -3.72 0.00 0.00 177.10 172.68 2kom s ILE 493 N -2.15 2.66 0.54 -5.21 -1.09 -1.26 -0.22 121.20 114.47 2kom s ILE 493 Ca -0.09 -1.86 -0.22 0.00 -2.23 0.00 0.00 60.65 56.25 2kom s ILE 493 Cb -0.04 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 2kom s ILE 493 CO -0.03 -0.35 1.35 -0.76 -1.23 0.00 0.00 174.94 173.92 2kom s LEU 494 N 1.09 3.86 0.00 2.97 2.01 0.75 -4.90 118.68 124.47 2kom s LEU 494 Ca 0.01 2.74 0.00 0.00 0.01 0.00 0.00 54.13 56.90 2kom s LEU 494 Cb -0.20 -4.27 0.00 0.00 0.01 0.00 0.00 46.19 41.73 2kom s LEU 494 CO -0.05 -1.54 0.66 -0.81 1.01 0.00 0.00 176.35 175.62 2kom n PRO 495 N -1.00 0.74 0.00 1.29 -0.04 -1.26 -3.70 135.00 131.03 2kom n PRO 495 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2kom n PRO 495 Cb 0.45 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.36 0.00 -0.02 0.54 1.85 -1.26 -4.96 116.66 112.45 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 0.04 -0.12 0.00 0.00 -1.05 0.00 0.00 32.46 31.34 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 -0.26 0.27 2.89 0.00 -1.24 -1.98 105.19 104.86 2kom n GLY 497 Ca 0.00 -1.72 -0.12 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 -1.77 0.66 -0.77 4.61 0.00 0.11 -2.60 119.26 119.49 2kom h ALA 498 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2kom h ALA 498 Cb 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2kom h ALA 498 CO 0.00 0.67 0.46 0.00 0.00 0.00 0.00 179.25 180.38 2kom h ALA 499 N 0.86 1.06 0.19 0.00 0.00 -1.84 -0.67 119.26 118.86 2kom h ALA 499 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 2kom h ALA 499 Cb 0.90 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.53 2kom h ALA 499 CO 0.08 0.17 -1.35 0.97 0.00 0.00 0.00 179.25 179.12 2kom h ILE 500 N 0.84 1.40 -0.86 0.00 -0.00 -1.75 0.45 117.51 117.59 2kom h ILE 500 Ca 0.34 -2.91 -0.01 0.00 -0.00 0.00 0.00 64.86 62.29 2kom h ILE 500 Cb 0.19 2.99 -0.04 0.00 -0.00 0.00 0.00 36.82 39.96 2kom h ILE 500 CO -0.18 0.86 0.50 1.56 -0.00 0.00 0.00 178.15 180.89 2kom h GLN 501 N 0.11 1.18 0.14 2.19 1.08 -0.97 -2.86 115.11 115.98 2kom h GLN 501 Ca -0.19 -0.12 -0.27 0.00 -1.45 0.00 0.00 58.65 56.63 2kom h GLN 501 Cb 2.06 -0.24 0.01 0.00 -0.05 0.00 0.00 27.48 29.26 2kom h GLN 501 CO 0.24 0.84 -1.31 -0.44 -0.95 0.00 0.00 178.83 177.21 2kom h ASP 502 N 1.19 0.46 -0.19 1.46 3.32 -1.25 -3.48 116.42 117.92 2kom h ASP 502 Ca 0.31 -0.89 -0.08 0.00 0.02 0.00 0.00 57.03 56.38 2kom h ASP 502 Cb -0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2kom h ASP 502 CO -0.05 1.59 -0.07 0.61 -1.72 0.00 0.00 179.24 179.59 2kom n GLY 503 N 1.73 0.62 0.05 2.75 0.00 0.16 -4.85 105.19 105.65 2kom n GLY 503 Ca -0.22 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.73 0.24 -4.92 1.61 0.63 -1.25 -4.78 116.66 106.45 2kom n ARG 504 Ca -0.04 0.08 -0.33 0.00 -0.92 0.00 0.00 57.85 56.64 2kom n ARG 504 Cb 0.28 -1.66 -0.14 0.00 0.45 0.00 0.00 32.46 31.39 2kom n ARG 504 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2kom s LEU 505 N -4.02 2.65 0.19 6.15 2.96 -1.26 -5.02 118.68 120.33 2kom s LEU 505 Ca 0.07 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2kom s LEU 505 Cb 0.14 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2kom s LEU 505 CO 0.71 0.31 0.15 -1.59 -1.32 0.00 0.00 176.35 174.61 2kom s LYS 506 N -0.55 1.19 0.61 1.98 0.00 -1.26 -4.74 119.74 116.97 2kom s LYS 506 Ca 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 55.97 54.38 2kom s LYS 506 Cb -0.11 0.28 -0.02 0.00 0.00 0.00 0.00 37.83 37.98 2kom s LYS 506 CO 0.01 -0.39 0.97 0.00 0.00 0.00 0.00 175.35 175.94 2kom s ALA 507 N -4.13 3.15 -0.33 0.59 0.00 -1.26 -4.32 121.76 115.45 2kom s ALA 507 Ca 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 2kom s ALA 507 Cb 0.06 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2kom s ALA 507 CO 0.10 -0.75 0.29 0.41 0.00 0.00 0.00 175.76 175.81 2kom n GLY 508 N -2.68 0.50 3.16 0.00 0.00 -0.52 -5.03 105.19 100.61 2kom n GLY 508 Ca 0.05 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2kom n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kom s ASP 509 N -3.14 -0.08 0.07 1.61 2.15 -1.25 -4.94 116.67 111.09 2kom s ASP 509 Ca 0.12 -0.04 -0.21 0.00 0.43 0.00 0.00 52.55 52.84 2kom s ASP 509 Cb -0.05 0.27 -0.06 0.00 -0.30 0.00 0.00 42.92 42.77 2kom s ASP 509 CO 0.18 -0.37 0.64 -0.60 -0.17 0.00 0.00 175.17 174.84 2kom s ARG 510 N -1.24 4.33 -0.22 4.34 3.52 -0.45 -0.27 118.95 128.97 2kom s ARG 510 Ca -0.13 0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 56.22 2kom s ARG 510 Cb -0.06 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 2kom s ARG 510 CO 0.02 0.52 0.14 -1.17 -0.81 0.00 0.00 175.30 174.01 2kom s LEU 511 N -0.79 4.14 -0.26 -0.88 2.96 0.35 0.27 118.68 124.46 2kom s LEU 511 Ca 0.32 0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 2kom s LEU 511 Cb -0.20 -2.09 -0.12 0.00 0.50 0.00 0.00 46.19 44.28 2kom s LEU 511 CO 0.20 0.12 -0.32 -0.38 -1.32 0.00 0.00 176.35 174.66 2kom n ILE 512 N 3.92 1.45 -3.59 6.68 2.08 0.59 -4.11 119.36 126.38 2kom n ILE 512 Ca -0.16 -0.41 -0.17 0.00 0.56 0.00 0.00 62.75 62.58 2kom n ILE 512 Cb 0.52 -1.76 -0.07 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.49 0.94 -0.02 0.38 -1.05 -0.98 -3.07 118.70 112.41 2kom s GLU 513 Ca -0.36 0.18 0.01 0.00 -0.15 0.00 0.00 54.97 54.65 2kom s GLU 513 Cb 0.13 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.27 2kom s GLU 513 CO 0.49 -0.28 -0.02 0.54 0.95 0.00 0.00 175.26 176.95 2kom s VAL 514 N -1.13 0.22 -1.97 1.83 0.11 -0.96 0.09 120.40 118.59 2kom s VAL 514 Ca -0.11 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2kom s VAL 514 Cb -0.02 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2kom s VAL 514 CO 0.08 0.11 0.00 -3.20 -3.33 0.00 0.00 175.10 168.76 2kom n ASN 515 N 3.62 -5.35 0.00 3.54 2.85 0.26 -1.44 115.26 118.73 2kom n ASN 515 Ca -0.21 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2kom n ASN 515 Cb 0.54 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 36.91 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 -0.57 0.71 3.35 8.20 0.00 -1.26 -4.90 105.19 110.72 2kom n GLY 516 Ca -0.21 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 2.84 0.01 1.61 1.01 -0.52 -5.10 120.40 118.25 2kom s VAL 517 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2kom s VAL 517 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2kom s VAL 517 CO 0.00 0.54 0.99 -0.62 0.00 0.00 0.00 175.10 176.01 2kom s ASP 518 N 0.20 7.37 -0.14 3.32 -1.08 -1.26 -2.27 116.67 122.81 2kom s ASP 518 Ca -0.09 1.69 0.15 0.00 -0.52 0.00 0.00 52.55 53.77 2kom s ASP 518 Cb -0.16 -2.57 -0.24 0.00 -1.46 0.00 0.00 42.92 38.49 2kom s ASP 518 CO 0.06 -0.25 0.31 0.18 0.52 0.00 0.00 175.17 175.98 2kom n LEU 519 N 3.79 0.49 -0.07 -1.34 4.77 -1.18 -4.38 117.00 119.08 2kom n LEU 519 Ca 0.06 0.17 0.06 0.00 -0.03 0.00 0.00 56.01 56.26 2kom n LEU 519 Cb 0.51 0.29 0.41 0.00 -2.33 0.00 0.00 43.42 42.30 2kom n LEU 519 CO 0.52 0.48 1.19 0.58 -1.33 0.00 0.00 177.39 178.82 2kom h VAL 520 N 0.00 1.06 -0.59 4.08 2.07 -1.91 -0.41 116.25 120.54 2kom h VAL 520 Ca -0.44 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2kom h VAL 520 Cb 2.14 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2kom h VAL 520 CO 0.05 0.11 0.04 0.61 0.02 0.00 0.00 177.57 178.40 2kom n GLY 521 N -1.47 3.05 3.27 2.17 0.00 -1.26 -4.60 105.19 106.35 2kom n GLY 521 Ca 0.06 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 0.49 0.44 -2.96 1.61 2.85 -0.16 -5.04 118.16 115.39 2kom n LYS 522 Ca 0.29 -3.39 -0.24 0.00 -1.05 0.00 0.00 58.31 53.92 2kom n LYS 522 Cb 1.21 2.63 0.01 0.00 -0.65 0.00 0.00 35.03 38.23 2kom n LYS 522 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2kom s SER 523 N -3.39 5.94 0.17 -5.58 0.01 -1.26 -4.69 113.70 104.90 2kom s SER 523 Ca 0.37 0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.91 2kom s SER 523 Cb 0.02 -1.71 0.07 0.00 0.21 0.00 0.00 66.02 64.60 2kom s SER 523 CO 0.26 -0.65 1.83 -0.61 0.41 0.00 0.00 173.24 174.49 2kom h GLN 524 N 0.39 0.66 -0.17 12.44 5.75 -1.91 -2.26 115.11 130.02 2kom h GLN 524 Ca -0.47 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 2kom h GLN 524 Cb 1.24 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 2kom h GLN 524 CO 0.59 0.44 -0.01 0.93 -2.65 0.00 0.00 178.83 178.13 2kom h GLU 525 N 0.68 0.24 -0.52 1.69 5.08 -1.99 -0.67 114.58 119.09 2kom h GLU 525 Ca 0.19 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2kom h GLU 525 Cb -0.06 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2kom h GLU 525 CO -0.05 0.28 0.12 0.93 -1.00 0.00 0.00 179.01 179.28 2kom h GLU 526 N 0.24 0.81 -0.09 2.33 5.08 -1.81 -0.46 114.58 120.68 2kom h GLU 526 Ca 0.06 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 2kom h GLU 526 Cb 0.19 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kom h GLU 526 CO 0.00 0.74 -0.76 0.28 -1.00 0.00 0.00 179.01 178.27 2kom h VAL 527 N 0.78 1.35 -0.38 3.13 2.07 -1.04 -2.40 116.25 119.75 2kom h VAL 527 Ca 0.17 -2.12 -0.15 0.00 0.82 0.00 0.00 66.70 65.42 2kom h VAL 527 Cb 0.30 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2kom h VAL 527 CO -0.00 0.65 -0.36 -0.37 0.02 0.00 0.00 177.57 177.51 2kom h VAL 528 N 0.35 1.27 -0.58 2.57 -1.51 -0.69 -0.18 116.25 117.49 2kom h VAL 528 Ca -0.04 -1.53 -0.02 0.00 -1.23 0.00 0.00 66.70 63.88 2kom h VAL 528 Cb 1.36 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 2kom h VAL 528 CO 0.14 0.51 0.28 -1.28 -1.23 0.00 0.00 177.57 175.99 2kom h SER 529 N 0.75 0.75 -0.85 4.19 0.87 -1.10 0.51 113.55 118.66 2kom h SER 529 Ca 0.07 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2kom h SER 529 Cb 0.94 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 2kom h SER 529 CO 0.09 0.67 0.52 0.25 -0.53 0.00 0.00 176.83 177.83 2kom h LEU 530 N 0.78 0.81 -0.21 2.23 5.85 -1.19 0.04 115.31 123.62 2kom h LEU 530 Ca 0.20 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2kom h LEU 530 Cb 0.11 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kom h LEU 530 CO -0.03 0.51 -0.15 0.25 -0.34 0.00 0.00 178.44 178.69 2kom h LEU 531 N 0.94 0.50 -0.55 2.25 6.46 -0.28 -2.35 115.31 122.29 2kom h LEU 531 Ca 0.38 -0.44 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2kom h LEU 531 Cb 0.20 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 2kom h LEU 531 CO -0.18 0.83 0.28 0.03 -0.62 0.00 0.00 178.44 178.77 2kom h ARG 532 N 0.17 0.78 -0.11 1.25 2.47 0.65 -2.37 114.38 117.21 2kom h ARG 532 Ca 0.04 -0.11 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 2kom h ARG 532 Cb 0.67 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 2kom h ARG 532 CO 0.04 0.63 -0.39 0.77 0.56 0.00 0.00 179.97 181.59 2kom h SER 533 N 0.74 0.24 0.00 7.04 0.02 -1.06 -3.47 113.55 117.05 2kom h SER 533 Ca 0.19 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kom h SER 533 Cb 0.10 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kom h SER 533 CO -0.03 0.61 0.00 0.41 -1.14 0.00 0.00 176.83 176.69 2kom n THR 534 N -4.05 0.00 0.00 -2.27 -1.04 -0.88 -4.71 114.28 101.33 2kom n THR 534 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2kom n THR 534 Cb 0.46 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.11 -2.82 4.81 -1.26 -4.89 118.16 114.11 2kom n LYS 535 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2kom n LYS 535 Cb 0.00 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.30 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 0.18 -0.85 1.64 2.86 -1.95 -2.57 114.93 114.25 2kom h MET 536 Ca 0.00 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2kom h MET 536 Cb 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 2kom h MET 536 CO 0.00 0.57 0.56 1.49 1.06 0.00 0.00 176.91 180.59 2kom h GLU 537 N 0.16 1.09 0.00 1.72 4.81 -1.99 -3.47 114.58 116.89 2kom h GLU 537 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kom h GLU 537 Cb 0.79 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kom h GLU 537 CO 0.06 0.72 0.00 0.41 -0.73 0.00 0.00 179.01 179.47 2kom n GLY 538 N -1.41 1.48 3.72 1.92 0.00 -0.97 -5.02 105.19 104.91 2kom n GLY 538 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.81 4.80 -0.04 2.61 2.01 -1.26 -0.02 115.64 121.93 2kom s THR 539 Ca 0.00 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2kom s THR 539 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2kom s THR 539 CO 0.00 0.56 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.56 2kom s VAL 540 N -0.47 2.24 -0.35 3.82 1.01 0.85 -4.88 120.40 122.62 2kom s VAL 540 Ca 0.10 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 2kom s VAL 540 Cb -0.12 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 2kom s VAL 540 CO 0.02 0.58 0.59 -0.44 0.00 0.00 0.00 175.10 175.84 2kom s SER 541 N -0.46 6.39 -0.27 3.32 0.01 -1.26 -0.68 113.70 120.74 2kom s SER 541 Ca 0.05 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 2kom s SER 541 Cb -0.11 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2kom s SER 541 CO 0.01 -0.54 0.15 -0.76 0.41 0.00 0.00 173.24 172.51 2kom s LEU 542 N 2.57 3.85 -0.27 2.44 2.01 0.23 0.89 118.68 130.41 2kom s LEU 542 Ca 0.22 -0.10 -0.07 0.00 0.01 0.00 0.00 54.13 54.20 2kom s LEU 542 Cb -0.15 -2.05 -0.00 0.00 0.01 0.00 0.00 46.19 43.99 2kom s LEU 542 CO 0.14 -0.06 0.06 -0.22 1.01 0.00 0.00 176.35 177.28 2kom s LEU 543 N 1.71 3.59 0.29 1.79 1.98 0.11 0.52 118.68 128.67 2kom s LEU 543 Ca 0.07 -0.52 0.10 0.00 -2.89 0.00 0.00 54.13 50.89 2kom s LEU 543 Cb -0.16 -1.87 -0.05 0.00 0.66 0.00 0.00 46.19 44.77 2kom s LEU 543 CO 0.08 -0.12 -0.06 0.68 -1.89 0.00 0.00 176.35 175.05 2kom s VAL 544 N 1.53 2.94 -0.20 1.68 -7.23 0.13 -0.30 120.40 118.94 2kom s VAL 544 Ca 0.04 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2kom s VAL 544 Cb -0.16 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.14 2kom s VAL 544 CO 0.02 -0.33 -0.16 0.12 -0.31 0.00 0.00 175.10 174.44 2kom s PHE 545 N -2.43 2.83 -0.18 2.82 5.36 0.14 -0.67 117.98 125.84 2kom s PHE 545 Ca 0.32 -1.80 -0.08 0.00 -0.96 0.00 0.00 56.93 54.41 2kom s PHE 545 Cb -0.04 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 2kom s PHE 545 CO 0.18 -0.81 0.09 0.50 -1.46 0.00 0.00 175.22 173.72 2kom s ARG 546 N 1.27 4.02 0.29 10.12 3.52 0.14 -1.34 118.95 136.97 2kom s ARG 546 Ca 0.00 -0.30 -0.28 0.00 -0.13 0.00 0.00 55.73 55.03 2kom s ARG 546 Cb -0.15 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 2kom s ARG 546 CO -0.10 0.31 0.95 1.14 -0.81 0.00 0.00 175.30 176.79 2kom s GLN 547 N 0.29 4.69 -0.36 5.12 1.03 -1.26 -1.04 119.66 128.13 2kom s GLN 547 Ca 0.05 1.42 0.04 0.00 0.04 0.00 0.00 55.36 56.92 2kom s GLN 547 Cb -0.12 -3.01 0.17 0.00 0.03 0.00 0.00 33.01 30.08 2kom s GLN 547 CO -0.00 0.36 0.47 -2.00 -2.54 0.00 0.00 175.29 171.58 2kom s GLU 548 N -1.68 0.63 0.00 9.60 2.12 -1.26 -4.88 118.70 123.23 2kom s GLU 548 Ca 0.46 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2kom s GLU 548 Cb -0.22 -0.34 0.00 0.00 0.26 0.00 0.00 34.13 33.83 2kom s GLU 548 CO 0.28 -1.15 0.00 -3.47 -0.54 0.00 0.00 175.26 170.38