#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 2.39 -1.16 1.61 7.64 -1.26 -4.97 113.62 117.87 2kom n SER 450 Ca 0.00 -1.79 0.00 0.00 1.01 0.00 0.00 58.87 58.09 2kom n SER 450 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.87 -3.18 -0.03 1.43 4.01 -1.26 -4.66 117.16 114.33 2kom n TYR 451 Ca 0.16 1.72 -0.01 0.00 -0.16 0.00 0.00 57.90 59.61 2kom n TYR 451 Cb 0.50 -2.80 -0.00 0.00 -0.31 0.00 0.00 39.34 36.72 2kom n TYR 451 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2kom h ASN 452 N 0.29 0.00 -3.23 7.72 4.21 -2.02 -3.45 115.58 119.09 2kom h ASN 452 Ca 0.00 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.86 2kom h ASN 452 Cb 0.61 0.00 -0.15 0.00 -1.12 0.00 0.00 38.32 37.65 2kom h ASN 452 CO 0.00 0.32 -0.60 0.42 -1.29 0.00 0.00 177.43 176.29 2kom s THR 453 N -1.47 4.52 -0.29 2.81 -4.23 -1.26 -4.74 115.64 110.98 2kom s THR 453 Ca -0.04 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2kom s THR 453 Cb 0.01 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2kom s THR 453 CO 0.06 0.55 0.15 1.17 -0.54 0.00 0.00 174.62 176.01 2kom n LYS 454 N 2.74 -2.61 -2.59 3.99 4.81 -1.26 -4.90 118.16 118.34 2kom n LYS 454 Ca -0.18 2.23 -0.43 0.00 -0.87 0.00 0.00 58.31 59.06 2kom n LYS 454 Cb 0.53 -4.73 -0.02 0.00 0.02 0.00 0.00 35.03 30.83 2kom n LYS 454 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2kom s LYS 455 N -1.65 3.99 -0.86 1.64 1.02 -1.26 -4.88 119.74 117.74 2kom s LYS 455 Ca 0.06 1.05 -0.21 0.00 0.02 0.00 0.00 55.97 56.89 2kom s LYS 455 Cb -0.02 -3.79 0.09 0.00 -0.52 0.00 0.00 37.83 33.60 2kom s LYS 455 CO 0.64 -1.01 1.16 0.42 -0.92 0.00 0.00 175.35 175.64 2kom s ILE 456 N 3.91 4.39 0.00 2.17 1.01 -1.26 -4.68 121.20 126.73 2kom s ILE 456 Ca 0.48 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2kom s ILE 456 Cb -0.13 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2kom s ILE 456 CO 0.19 -1.60 0.00 0.61 0.00 0.00 0.00 174.94 174.14 2kom n GLY 457 N 5.72 2.27 3.18 6.18 0.00 -1.25 -4.66 105.19 116.62 2kom n GLY 457 Ca 0.17 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.13 0.90 -0.15 1.61 1.02 -0.16 -4.87 119.74 113.96 2kom s LYS 458 Ca 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 2kom s LYS 458 Cb 0.00 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.35 2kom s LYS 458 CO 0.00 0.22 -0.07 1.03 -0.92 0.00 0.00 175.35 175.61 2kom s ARG 459 N -1.56 3.55 -0.11 1.68 0.52 -1.25 -0.90 118.95 120.88 2kom s ARG 459 Ca 0.00 -0.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2kom s ARG 459 Cb -0.09 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 2kom s ARG 459 CO 0.02 0.18 -0.22 -0.51 0.02 0.00 0.00 175.30 174.80 2kom s LEU 460 N 0.49 2.21 -0.25 2.53 2.01 0.55 -4.91 118.68 121.31 2kom s LEU 460 Ca -0.05 -0.52 -0.14 0.00 0.01 0.00 0.00 54.13 53.43 2kom s LEU 460 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 46.19 44.56 2kom s LEU 460 CO 0.03 0.16 0.32 0.54 1.01 0.00 0.00 176.35 178.41 2kom s ASN 461 N 0.36 6.25 0.01 2.29 4.22 -1.26 -0.35 114.94 126.47 2kom s ASN 461 Ca -0.17 0.29 0.05 0.00 -2.14 0.00 0.00 52.86 50.89 2kom s ASN 461 Cb -0.18 -2.19 -0.02 0.00 1.28 0.00 0.00 41.25 40.15 2kom s ASN 461 CO 0.08 -0.10 -0.17 -0.63 -2.04 0.00 0.00 177.10 174.25 2kom s ILE 462 N 1.65 1.32 -0.14 0.54 1.01 0.17 -4.94 121.20 120.81 2kom s ILE 462 Ca 0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 2kom s ILE 462 Cb -0.15 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2kom s ILE 462 CO 0.09 0.24 -0.14 -1.10 0.00 0.00 0.00 174.94 174.02 2kom s GLN 463 N -0.75 3.31 -0.08 2.79 -0.21 -1.26 0.96 119.66 124.44 2kom s GLN 463 Ca 0.05 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 54.76 2kom s GLN 463 Cb -0.07 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.29 2kom s GLN 463 CO 0.00 0.12 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.60 2kom s LEU 464 N 0.57 2.45 -0.11 2.90 2.01 -0.07 -4.91 118.68 121.52 2kom s LEU 464 Ca -0.09 -0.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.66 2kom s LEU 464 Cb -0.16 -1.50 -0.03 0.00 0.01 0.00 0.00 46.19 44.52 2kom s LEU 464 CO 0.03 0.24 -0.04 -0.75 1.01 0.00 0.00 176.35 176.85 2kom s LYS 465 N -0.12 3.21 -0.64 1.70 2.20 -1.26 0.31 119.74 125.14 2kom s LYS 465 Ca -0.03 -0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 2kom s LYS 465 Cb -0.14 -2.78 -0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2kom s LYS 465 CO 0.04 0.50 1.67 0.15 -0.36 0.00 0.00 175.35 177.34 2kom s LYS 466 N -0.33 2.85 0.00 4.03 1.02 0.19 -4.42 119.74 123.08 2kom s LYS 466 Ca 0.06 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.42 2kom s LYS 466 Cb -0.12 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 32.88 2kom s LYS 466 CO 0.02 -2.50 0.00 0.41 -0.92 0.00 0.00 175.35 172.37 2kom n GLY 467 N 5.57 0.40 0.01 -3.33 0.00 -1.26 -4.82 105.19 101.76 2kom n GLY 467 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kom n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kom h THR 468 N 0.00 0.00 0.00 2.61 1.03 -1.93 -3.37 112.91 111.24 2kom h THR 468 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2kom h THR 468 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 2kom h THR 468 CO 0.00 0.00 -1.68 -0.62 -0.01 0.00 0.00 175.52 173.21 2kom n GLU 469 N -2.07 0.55 0.00 0.00 -0.58 -1.26 -5.06 120.64 112.22 2kom n GLU 469 Ca -0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2kom n GLU 469 Cb 0.01 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2kom n GLU 469 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kom n GLY 470 N 1.29 0.37 3.53 0.62 0.00 -1.26 -4.76 105.19 104.98 2kom n GLY 470 Ca -0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 1.04 -3.13 0.99 4.77 -1.26 0.12 117.00 119.53 2kom n LEU 471 Ca 0.00 -0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 55.03 2kom n LEU 471 Cb 0.00 -1.26 0.01 0.00 -2.33 0.00 0.00 43.42 39.84 2kom n LEU 471 CO 0.00 -1.61 0.97 0.61 -1.33 0.00 0.00 177.39 176.03 2kom n GLY 472 N 6.24 5.86 3.09 -0.72 0.00 -1.26 -4.86 105.19 113.53 2kom n GLY 472 Ca 0.52 -2.63 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 -3.96 -0.15 0.31 1.61 -0.71 -1.26 -0.38 117.98 113.44 2kom s PHE 473 Ca 0.46 0.36 0.11 0.00 -1.04 0.00 0.00 56.93 56.82 2kom s PHE 473 Cb 0.30 0.05 -0.06 0.00 -1.21 0.00 0.00 43.02 42.10 2kom s PHE 473 CO -0.21 -0.15 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.26 2kom s SER 474 N -0.28 3.71 0.25 1.98 0.01 -0.48 -4.97 113.70 113.92 2kom s SER 474 Ca -0.04 -1.09 0.11 0.00 1.31 0.00 0.00 55.95 56.24 2kom s SER 474 Cb -0.03 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 2kom s SER 474 CO 0.01 -0.08 -0.16 0.27 0.41 0.00 0.00 173.24 173.69 2kom s ILE 475 N -2.55 2.74 0.10 1.44 -4.36 -1.26 0.20 121.20 117.51 2kom s ILE 475 Ca 0.31 -2.14 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 2kom s ILE 475 Cb -0.02 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2kom s ILE 475 CO 0.16 -0.30 0.25 0.28 0.24 0.00 0.00 174.94 175.57 2kom s THR 476 N -2.20 0.12 0.02 8.37 -1.32 0.84 -4.64 115.64 116.84 2kom s THR 476 Ca 0.28 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.71 2kom s THR 476 Cb -0.06 -1.30 -0.02 0.00 -1.51 0.00 0.00 72.50 69.61 2kom s THR 476 CO 0.15 -0.56 0.01 -0.55 -2.21 0.00 0.00 174.62 171.46 2kom s SER 477 N -2.85 0.19 -0.03 8.08 0.15 -1.26 0.09 113.70 118.07 2kom s SER 477 Ca 0.05 -0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 2kom s SER 477 Cb 0.04 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2kom s SER 477 CO -0.11 -0.32 -0.05 0.54 1.20 0.00 0.00 173.24 174.50 2kom n ARG 478 N 1.55 0.09 0.00 5.44 5.12 -1.26 -5.05 116.66 122.54 2kom n ARG 478 Ca -0.24 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 2kom n ARG 478 Cb 0.55 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 31.07 2kom n ARG 478 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kom n ASP 479 N -2.76 0.00 0.07 0.55 -0.08 -1.26 -5.03 116.55 108.04 2kom n ASP 479 Ca -0.02 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.38 2kom n ASP 479 Cb 0.07 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.67 2kom n ASP 479 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2kom h VAL 480 N 2.19 0.00 -5.86 5.18 3.04 -1.93 -3.45 116.25 115.41 2kom h VAL 480 Ca 0.00 -0.61 -0.17 0.00 -1.01 0.00 0.00 66.70 64.91 2kom h VAL 480 Cb 0.00 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2kom h VAL 480 CO 0.00 0.00 -0.39 0.41 -1.01 0.00 0.00 177.57 176.58 2kom n THR 481 N -2.26 -7.79 0.00 3.17 -1.04 -1.26 -4.79 114.28 100.31 2kom n THR 481 Ca 0.03 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kom n THR 481 Cb 0.46 -5.54 0.00 0.00 -1.82 0.00 0.00 70.33 63.44 2kom n THR 481 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kom n ILE 482 N -2.04 0.00 -0.41 12.58 3.06 -1.26 -5.08 119.36 126.20 2kom n ILE 482 Ca -0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 2kom n ILE 482 Cb 0.57 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.75 2kom n ILE 482 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kom n GLY 483 N 0.00 -0.67 0.00 4.50 0.00 -1.26 -5.13 105.19 102.63 2kom n GLY 483 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.67 1.98 0.15 -0.02 0.00 -1.26 -5.03 105.19 101.68 2kom n GLY 484 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2kom n GLY 484 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kom h SER 485 N 0.00 0.50 -3.26 1.61 0.02 -1.89 -3.49 113.55 107.05 2kom h SER 485 Ca 0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2kom h SER 485 Cb 0.00 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2kom h SER 485 CO 0.00 1.22 -0.15 0.00 -1.14 0.00 0.00 176.83 176.76 2kom n ALA 486 N -2.53 -2.85 -1.67 3.77 0.00 -1.26 -4.64 120.51 111.32 2kom n ALA 486 Ca -0.07 0.07 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 2kom n ALA 486 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 2kom n ALA 486 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2kom n PRO 487 N 0.28 1.97 -3.35 0.00 -0.02 -1.26 -4.89 135.00 127.72 2kom n PRO 487 Ca 0.00 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 2kom n PRO 487 Cb 0.00 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.10 2kom n PRO 487 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kom s ILE 488 N -0.29 5.20 0.18 4.25 -1.09 -1.26 -4.44 121.20 123.74 2kom s ILE 488 Ca 0.66 0.86 0.07 0.00 -2.23 0.00 0.00 60.65 60.01 2kom s ILE 488 Cb -0.65 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2kom s ILE 488 CO 0.52 0.31 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.10 2kom s TYR 489 N 0.79 1.58 0.05 3.97 2.02 0.11 -0.16 117.35 125.71 2kom s TYR 489 Ca 0.23 -0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 2kom s TYR 489 Cb -0.15 -0.76 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 2kom s TYR 489 CO 0.09 0.26 1.20 0.08 -1.57 0.00 0.00 175.55 175.61 2kom s VAL 490 N -2.83 4.06 -0.13 0.71 1.01 -0.25 -0.11 120.40 122.85 2kom s VAL 490 Ca 0.18 1.47 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 2kom s VAL 490 Cb -0.01 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2kom s VAL 490 CO 0.05 0.10 -0.20 1.17 0.00 0.00 0.00 175.10 176.22 2kom n LYS 491 N 4.05 0.41 -3.94 2.72 3.00 0.13 -3.82 118.16 120.71 2kom n LYS 491 Ca 0.09 0.39 -0.10 0.00 -0.00 0.00 0.00 58.31 58.70 2kom n LYS 491 Cb 0.46 -1.49 -0.11 0.00 0.00 0.00 0.00 35.03 33.89 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 -5.51 0.16 -0.32 3.14 3.84 -1.23 -4.84 114.94 110.19 2kom s ASN 492 Ca -0.17 -0.37 0.02 0.00 0.21 0.00 0.00 52.86 52.55 2kom s ASN 492 Cb 0.02 0.12 0.08 0.00 -0.55 0.00 0.00 41.25 40.92 2kom s ASN 492 CO 0.25 -0.28 0.01 -0.63 -2.79 0.00 0.00 177.10 173.66 2kom s ILE 493 N -1.27 2.45 0.68 -5.21 -1.09 -1.26 -1.38 121.20 114.11 2kom s ILE 493 Ca -0.14 -1.98 -0.17 0.00 -2.23 0.00 0.00 60.65 56.14 2kom s ILE 493 Cb -0.08 -2.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2kom s ILE 493 CO -0.00 -0.37 0.87 0.18 -1.23 0.00 0.00 174.94 174.38 2kom n LEU 494 N 4.39 2.98 0.00 2.97 4.32 0.49 -4.89 117.00 127.26 2kom n LEU 494 Ca -0.04 0.70 0.14 0.00 -0.02 0.00 0.00 56.01 56.78 2kom n LEU 494 Cb 0.42 -1.36 0.76 0.00 -1.62 0.00 0.00 43.42 41.62 2kom n LEU 494 CO 0.23 -2.23 0.99 -0.81 -1.22 0.00 0.00 177.39 174.35 2kom n PRO 495 N -1.32 0.62 -3.22 3.23 -0.04 -1.26 -4.38 135.00 128.63 2kom n PRO 495 Ca 0.13 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2kom n PRO 495 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2kom n PRO 495 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kom s ARG 496 N -2.31 0.54 0.00 0.54 0.52 -1.26 -4.94 118.95 112.03 2kom s ARG 496 Ca 0.33 0.98 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 2kom s ARG 496 Cb 0.19 0.43 0.00 0.00 0.52 0.00 0.00 34.95 36.09 2kom s ARG 496 CO 0.38 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.52 2kom n GLY 497 N 5.42 -1.25 0.17 -3.53 0.00 -1.26 -4.71 105.19 100.02 2kom n GLY 497 Ca -0.02 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.47 -0.66 4.61 0.00 0.71 0.81 119.26 125.21 2kom h ALA 498 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2kom h ALA 498 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2kom h ALA 498 CO 0.00 -0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.40 2kom h ALA 499 N 1.23 0.88 0.19 0.00 0.00 -1.81 0.89 119.26 120.63 2kom h ALA 499 Ca 0.17 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 2kom h ALA 499 Cb 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kom h ALA 499 CO -0.15 0.05 -1.43 0.97 0.00 0.00 0.00 179.25 178.69 2kom h ILE 500 N 0.68 1.32 -0.58 0.00 2.10 -1.67 0.15 117.51 119.52 2kom h ILE 500 Ca 0.29 -2.83 -0.06 0.00 1.08 0.00 0.00 64.86 63.34 2kom h ILE 500 Cb 0.17 2.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.83 2kom h ILE 500 CO -0.18 0.85 0.13 1.56 -1.08 0.00 0.00 178.15 179.43 2kom h GLN 501 N 0.11 0.94 0.04 2.19 1.08 -0.38 -2.65 115.11 116.44 2kom h GLN 501 Ca -0.22 -0.23 -0.27 0.00 -1.45 0.00 0.00 58.65 56.48 2kom h GLN 501 Cb 2.08 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 29.36 2kom h GLN 501 CO 0.23 0.87 -1.42 -0.44 -0.95 0.00 0.00 178.83 177.12 2kom h ASP 502 N 0.84 0.13 -5.44 1.46 3.32 -0.97 -3.48 116.42 112.27 2kom h ASP 502 Ca 0.18 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.70 2kom h ASP 502 Cb 0.37 -0.04 0.15 0.00 0.22 0.00 0.00 39.33 40.02 2kom h ASP 502 CO 0.00 1.16 -0.68 0.61 -1.72 0.00 0.00 179.24 178.62 2kom n GLY 503 N 1.53 -0.36 0.02 2.75 0.00 0.53 -4.92 105.19 104.74 2kom n GLY 503 Ca -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.25 2.60 -4.16 1.61 1.74 -1.21 -5.01 116.66 107.99 2kom n ARG 504 Ca -0.15 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.60 2kom n ARG 504 Cb 0.61 -1.13 -0.08 0.00 -1.02 0.00 0.00 32.46 30.85 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 -4.18 3.70 0.09 0.55 2.96 -1.26 -5.09 118.68 115.47 2kom s LEU 505 Ca -0.02 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2kom s LEU 505 Cb 0.02 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2kom s LEU 505 CO 0.21 0.25 -0.01 -1.59 -1.32 0.00 0.00 176.35 173.89 2kom s LYS 506 N -1.86 0.79 -0.22 1.98 0.00 -1.26 -4.83 119.74 114.34 2kom s LYS 506 Ca 0.23 -1.34 -0.26 0.00 0.00 0.00 0.00 55.97 54.61 2kom s LYS 506 Cb -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 37.83 37.81 2kom s LYS 506 CO 0.15 -0.14 0.89 0.00 0.00 0.00 0.00 175.35 176.24 2kom s ALA 507 N -3.88 3.63 0.00 0.59 0.00 -1.26 -3.96 121.76 116.88 2kom s ALA 507 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2kom s ALA 507 Cb 0.07 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2kom s ALA 507 CO -0.04 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2kom n GLY 508 N 3.58 0.46 3.99 0.00 0.00 -1.25 -5.03 105.19 106.94 2kom n GLY 508 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 5.05 -0.12 1.61 1.01 -1.25 -4.87 116.67 118.09 2kom s ASP 509 Ca 0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 52.55 52.98 2kom s ASP 509 Cb 0.00 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2kom s ASP 509 CO 0.00 -1.32 0.08 -0.60 0.21 0.00 0.00 175.17 173.55 2kom s ARG 510 N -4.81 3.41 -0.26 8.23 3.52 -0.96 -1.09 118.95 126.98 2kom s ARG 510 Ca 0.60 -0.26 -0.24 0.00 -0.13 0.00 0.00 55.73 55.71 2kom s ARG 510 Cb -0.09 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2kom s ARG 510 CO 0.39 0.66 0.79 -0.51 -0.81 0.00 0.00 175.30 175.82 2kom s LEU 511 N -0.70 4.08 -0.26 -0.88 2.01 0.77 -0.14 118.68 123.55 2kom s LEU 511 Ca 0.12 0.88 -0.11 0.00 0.01 0.00 0.00 54.13 55.03 2kom s LEU 511 Cb -0.12 -3.11 -0.14 0.00 0.01 0.00 0.00 46.19 42.83 2kom s LEU 511 CO 0.03 -0.53 -0.25 -0.38 1.01 0.00 0.00 176.35 176.23 2kom n ILE 512 N 5.34 1.53 -3.77 -0.59 2.08 0.93 -4.36 119.36 120.52 2kom n ILE 512 Ca 0.04 -0.41 -0.13 0.00 0.56 0.00 0.00 62.75 62.82 2kom n ILE 512 Cb 0.48 -1.78 -0.09 0.00 -0.75 0.00 0.00 39.64 37.49 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 -2.50 0.61 -0.10 0.38 -1.05 -1.17 0.08 118.70 114.95 2kom s GLU 513 Ca -0.36 -0.13 -0.01 0.00 -0.15 0.00 0.00 54.97 54.32 2kom s GLU 513 Cb 0.12 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2kom s GLU 513 CO 0.54 -0.16 -0.03 0.54 0.95 0.00 0.00 175.26 177.09 2kom s VAL 514 N -1.13 0.70 -1.47 1.83 0.11 -0.71 -0.17 120.40 119.56 2kom s VAL 514 Ca -0.12 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2kom s VAL 514 Cb -0.05 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2kom s VAL 514 CO 0.03 0.28 0.00 -3.20 -3.33 0.00 0.00 175.10 168.89 2kom n ASN 515 N 5.04 -4.70 0.00 3.54 4.05 0.23 -2.82 115.26 120.61 2kom n ASN 515 Ca -0.10 0.22 0.00 0.00 0.45 0.00 0.00 54.58 55.15 2kom n ASN 515 Cb 0.50 -3.65 0.00 0.00 1.23 0.00 0.00 39.78 37.86 2kom n ASN 515 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2kom n GLY 516 N -1.09 2.61 3.79 8.20 0.00 -1.26 -4.85 105.19 112.58 2kom n GLY 516 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.50 5.31 0.22 1.61 1.01 -1.13 -5.06 120.40 119.87 2kom s VAL 517 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 2kom s VAL 517 Cb 0.00 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2kom s VAL 517 CO 0.00 0.49 0.77 1.51 0.00 0.00 0.00 175.10 177.87 2kom s ASP 518 N -0.22 7.20 -0.21 3.32 -4.77 -1.26 -1.74 116.67 118.99 2kom s ASP 518 Ca 0.17 1.55 0.02 0.00 -3.30 0.00 0.00 52.55 50.99 2kom s ASP 518 Cb -0.13 -2.47 -0.14 0.00 -1.09 0.00 0.00 42.92 39.09 2kom s ASP 518 CO 0.05 0.07 -0.18 0.18 0.70 0.00 0.00 175.17 176.00 2kom n LEU 519 N 0.97 2.89 -4.56 2.11 4.77 0.11 -4.61 117.00 118.67 2kom n LEU 519 Ca -0.03 -0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 2kom n LEU 519 Cb 0.50 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2kom n LEU 519 CO 0.44 0.84 1.41 -0.69 -1.33 0.00 0.00 177.39 178.06 2kom s VAL 520 N -2.42 3.67 0.00 4.08 1.01 -1.25 -0.64 120.40 124.85 2kom s VAL 520 Ca -0.28 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2kom s VAL 520 Cb 0.07 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2kom s VAL 520 CO 0.49 -1.42 0.00 0.61 0.00 0.00 0.00 175.10 174.79 2kom n GLY 521 N 6.86 0.72 3.97 4.51 0.00 -1.26 -5.07 105.19 114.91 2kom n GLY 521 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.15 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 2.27 0.40 1.61 -2.85 0.19 -4.82 119.74 116.54 2kom s LYS 522 Ca 0.00 -1.86 0.03 0.00 -1.00 0.00 0.00 55.97 53.14 2kom s LYS 522 Cb 0.00 -2.35 -0.01 0.00 -2.06 0.00 0.00 37.83 33.41 2kom s LYS 522 CO 0.00 -0.74 0.58 -1.54 0.10 0.00 0.00 175.35 173.75 2kom s SER 523 N -4.47 5.92 0.27 0.03 1.04 -1.26 -4.77 113.70 110.47 2kom s SER 523 Ca 0.47 0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2kom s SER 523 Cb -0.04 -1.47 0.61 0.00 0.10 0.00 0.00 66.02 65.22 2kom s SER 523 CO 0.29 -0.57 1.72 1.56 0.98 0.00 0.00 173.24 177.22 2kom h GLN 524 N 0.61 0.44 -0.40 4.02 1.08 -1.90 -1.77 115.11 117.19 2kom h GLN 524 Ca -0.46 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 56.64 2kom h GLN 524 Cb 1.25 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2kom h GLN 524 CO 0.56 0.29 -0.03 0.93 -0.95 0.00 0.00 178.83 179.63 2kom h GLU 525 N 0.45 0.65 -0.28 1.46 5.08 -1.98 0.32 114.58 120.27 2kom h GLU 525 Ca 0.50 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 2kom h GLU 525 Cb 0.85 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kom h GLU 525 CO -0.47 0.69 -0.41 0.93 -1.00 0.00 0.00 179.01 178.76 2kom h GLU 526 N 0.61 0.69 -0.31 2.33 5.08 -1.74 -1.67 114.58 119.57 2kom h GLU 526 Ca 0.12 -0.36 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2kom h GLU 526 Cb 0.44 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kom h GLU 526 CO 0.02 0.97 -0.37 0.28 -1.00 0.00 0.00 179.01 178.91 2kom h VAL 527 N 0.56 1.29 -0.40 3.13 2.07 -0.58 -2.03 116.25 120.29 2kom h VAL 527 Ca 0.04 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 2kom h VAL 527 Cb 0.95 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2kom h VAL 527 CO 0.09 0.50 0.10 -0.37 0.02 0.00 0.00 177.57 177.91 2kom h VAL 528 N 0.56 1.23 -0.98 2.57 -1.51 -0.32 0.54 116.25 118.34 2kom h VAL 528 Ca 0.04 -0.78 0.05 0.00 -1.23 0.00 0.00 66.70 64.78 2kom h VAL 528 Cb 0.96 0.97 -0.06 0.00 -2.13 0.00 0.00 31.29 31.03 2kom h VAL 528 CO 0.09 0.27 0.64 0.28 -1.23 0.00 0.00 177.57 177.62 2kom h SER 529 N 0.51 1.04 -0.22 4.19 0.02 -1.28 0.29 113.55 118.09 2kom h SER 529 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2kom h SER 529 Cb 0.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2kom h SER 529 CO 0.00 0.68 0.09 0.25 -1.14 0.00 0.00 176.83 176.72 2kom h LEU 530 N 1.19 0.31 -0.39 5.07 5.85 -0.89 -1.39 115.31 125.05 2kom h LEU 530 Ca 0.41 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 2kom h LEU 530 Cb 0.10 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2kom h LEU 530 CO -0.15 0.38 0.06 0.25 -0.34 0.00 0.00 178.44 178.64 2kom h LEU 531 N 0.21 0.63 -1.45 2.25 5.85 0.07 -1.46 115.31 121.41 2kom h LEU 531 Ca 0.07 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2kom h LEU 531 Cb 0.17 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2kom h LEU 531 CO -0.01 0.73 0.07 0.03 -0.34 0.00 0.00 178.44 178.92 2kom h ARG 532 N 0.50 0.44 -0.02 1.25 2.47 -0.35 -2.40 114.38 116.26 2kom h ARG 532 Ca 0.12 -0.06 -0.24 0.00 -1.26 0.00 0.00 59.98 58.54 2kom h ARG 532 Cb 0.37 -0.08 0.02 0.00 -1.65 0.00 0.00 29.97 28.63 2kom h ARG 532 CO 0.01 0.41 -0.90 0.77 0.56 0.00 0.00 179.97 180.81 2kom h SER 533 N 0.43 0.83 0.00 7.04 0.02 -1.04 -3.47 113.55 117.36 2kom h SER 533 Ca 0.10 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 2kom h SER 533 Cb 0.17 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2kom h SER 533 CO -0.00 1.45 0.00 0.41 -1.14 0.00 0.00 176.83 177.54 2kom n THR 534 N -3.95 0.00 0.00 -2.27 -1.04 -0.57 -4.77 114.28 101.68 2kom n THR 534 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2kom n THR 534 Cb 0.81 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 2kom n THR 534 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2kom n LYS 535 N 0.00 -0.65 -0.17 -2.82 2.85 -1.26 -4.95 118.16 111.16 2kom n LYS 535 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2kom n LYS 535 Cb 0.00 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.47 2kom n LYS 535 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2kom h MET 536 N 0.00 0.95 0.00 -1.58 1.85 -2.00 -3.36 114.93 110.80 2kom h MET 536 Ca 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 2kom h MET 536 Cb 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 31.93 2kom h MET 536 CO 0.00 0.93 0.00 -1.91 -0.40 0.00 0.00 176.91 175.53 2kom n GLU 537 N -4.20 0.00 0.00 0.39 0.00 -1.26 -5.03 120.64 110.54 2kom n GLU 537 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.23 2kom n GLU 537 Cb 0.32 -0.72 0.00 0.00 0.00 0.00 0.00 31.44 31.04 2kom n GLU 537 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kom n GLY 538 N 1.35 0.50 3.67 8.31 0.00 -1.26 -4.95 105.19 112.80 2kom n GLY 538 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.21 -0.08 2.61 2.01 -1.26 -0.63 115.64 123.50 2kom s THR 539 Ca 0.00 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.65 2kom s THR 539 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2kom s THR 539 CO 0.00 0.26 0.01 -0.69 -0.69 0.00 0.00 174.62 173.51 2kom s VAL 540 N 1.29 4.33 -0.35 3.82 1.01 0.15 -4.89 120.40 125.76 2kom s VAL 540 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 2kom s VAL 540 Cb -0.15 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kom s VAL 540 CO 0.08 0.58 0.28 -0.55 0.00 0.00 0.00 175.10 175.49 2kom s SER 541 N -0.98 6.10 -0.25 3.32 0.15 -1.26 -0.89 113.70 119.89 2kom s SER 541 Ca 0.14 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 2kom s SER 541 Cb -0.11 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2kom s SER 541 CO 0.03 -0.29 0.14 -0.76 1.20 0.00 0.00 173.24 173.56 2kom s LEU 542 N 1.81 3.89 -0.27 3.45 2.01 0.27 0.78 118.68 130.63 2kom s LEU 542 Ca 0.08 -0.01 -0.08 0.00 0.01 0.00 0.00 54.13 54.12 2kom s LEU 542 Cb -0.17 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 43.95 2kom s LEU 542 CO 0.11 0.01 0.10 -0.22 1.01 0.00 0.00 176.35 177.36 2kom s LEU 543 N 1.40 3.67 0.04 1.79 2.96 0.76 0.44 118.68 129.74 2kom s LEU 543 Ca 0.07 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 2kom s LEU 543 Cb -0.15 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2kom s LEU 543 CO 0.07 -0.07 -0.16 0.68 -1.32 0.00 0.00 176.35 175.55 2kom s VAL 544 N 1.63 2.98 -0.26 1.68 -7.23 0.53 -0.05 120.40 119.69 2kom s VAL 544 Ca 0.06 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2kom s VAL 544 Cb -0.16 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2kom s VAL 544 CO 0.05 0.32 -0.01 0.12 -0.31 0.00 0.00 175.10 175.27 2kom s PHE 545 N -0.97 3.07 -0.29 2.82 5.36 0.80 -0.33 117.98 128.44 2kom s PHE 545 Ca 0.16 -1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 54.78 2kom s PHE 545 Cb -0.11 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2kom s PHE 545 CO 0.06 -0.64 0.18 -0.98 -1.46 0.00 0.00 175.22 172.38 2kom s ARG 546 N 1.41 3.70 -0.23 10.12 1.04 -0.07 -2.26 118.95 132.66 2kom s ARG 546 Ca 0.02 -0.48 -0.21 0.00 -1.04 0.00 0.00 55.73 54.02 2kom s ARG 546 Cb -0.16 -3.63 -0.02 0.00 -2.04 0.00 0.00 34.95 29.09 2kom s ARG 546 CO -0.02 -0.28 0.63 -1.14 -0.04 0.00 0.00 175.30 174.45 2kom s GLN 547 N 1.71 4.15 0.51 3.89 0.74 -1.26 -0.99 119.66 128.41 2kom s GLN 547 Ca 0.06 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.06 2kom s GLN 547 Cb -0.16 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.32 2kom s GLN 547 CO 0.09 -0.35 0.00 0.39 -0.55 0.00 0.00 175.29 174.87 2kom n GLU 548 N 5.48 -1.14 0.00 1.67 1.02 -1.26 -4.82 120.64 121.58 2kom n GLU 548 Ca -0.01 0.75 0.03 0.00 -0.02 0.00 0.00 57.16 57.92 2kom n GLU 548 Cb 0.49 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2kom n GLU 548 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84