#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3idp n TRP 450 N 0.00 0.00 -2.28 -0.67 5.03 -1.26 -4.86 117.44 113.40 3idp n TRP 450 Ca 0.00 0.00 -0.43 0.00 3.03 0.00 0.00 57.50 60.10 3idp n TRP 450 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.26 3idp n TRP 450 CO 0.00 0.00 0.00 -2.00 -0.03 0.00 0.00 177.69 175.66 3idp s GLU 451 N -1.70 4.20 0.17 -0.99 2.12 -1.26 -0.67 118.70 120.56 3idp s GLU 451 Ca 0.14 1.82 -0.30 0.00 0.36 0.00 0.00 54.97 56.99 3idp s GLU 451 Cb 0.12 -3.85 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 3idp s GLU 451 CO 0.34 -0.78 1.16 0.42 -0.54 0.00 0.00 175.26 175.86 3idp s ILE 452 N 3.74 3.73 0.33 -3.70 1.01 0.78 -4.90 121.20 122.18 3idp s ILE 452 Ca 0.61 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 62.43 3idp s ILE 452 Cb -0.25 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.17 3idp s ILE 452 CO 0.20 0.22 1.02 -2.65 0.00 0.00 0.00 174.94 173.73 3idp n PRO 453 N 2.61 1.40 -1.66 2.79 -0.02 -1.26 -4.79 135.00 134.07 3idp n PRO 453 Ca 0.04 0.49 -0.45 0.00 -2.02 0.00 0.00 63.50 61.57 3idp n PRO 453 Cb 0.45 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3idp n PRO 453 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3idp n ASP 454 N 1.04 2.44 -3.43 2.55 9.92 -1.26 -3.46 116.55 124.34 3idp n ASP 454 Ca 0.09 1.16 -0.17 0.00 -0.53 0.00 0.00 54.79 55.34 3idp n ASP 454 Cb 0.34 -1.40 0.09 0.00 -0.64 0.00 0.00 41.12 39.51 3idp n ASP 454 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3idp n GLY 455 N 1.83 -0.40 0.01 0.44 0.00 -1.26 -4.93 105.19 100.88 3idp n GLY 455 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 3idp n GLY 455 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3idp n GLN 456 N -4.09 2.74 -2.28 1.61 6.02 -1.22 -5.02 117.38 115.14 3idp n GLN 456 Ca -0.28 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.29 3idp n GLN 456 Cb 0.67 -1.06 -0.03 0.00 1.02 0.00 0.00 30.24 30.85 3idp n GLN 456 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3idp s ILE 457 N -2.05 3.82 -0.18 5.09 1.01 -1.26 -4.77 121.20 122.86 3idp s ILE 457 Ca -0.02 1.21 -0.06 0.00 0.00 0.00 0.00 60.65 61.78 3idp s ILE 457 Cb 0.01 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3idp s ILE 457 CO 0.08 0.01 0.02 -0.89 0.00 0.00 0.00 174.94 174.15 3idp s THR 458 N 2.23 4.27 -0.12 2.92 2.01 -0.56 -4.98 115.64 121.42 3idp s THR 458 Ca 0.62 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 3idp s THR 458 Cb -0.30 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3idp s THR 458 CO 0.26 0.46 0.48 -0.69 -0.69 0.00 0.00 174.62 174.43 3idp s VAL 459 N 0.59 5.19 0.00 3.82 1.01 -1.26 -0.39 120.40 129.36 3idp s VAL 459 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3idp s VAL 459 Cb -0.14 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3idp s VAL 459 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3idp n GLY 460 N 3.27 1.13 3.77 4.51 0.00 0.01 -4.96 105.19 112.91 3idp n GLY 460 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3idp n GLY 460 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3idp s GLN 461 N 3.80 4.31 0.01 1.61 0.74 -1.17 -4.77 119.66 124.19 3idp s GLN 461 Ca 0.00 1.73 -0.30 0.00 0.05 0.00 0.00 55.36 56.84 3idp s GLN 461 Cb 0.00 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.25 3idp s GLN 461 CO 0.00 -0.06 1.03 0.50 -0.55 0.00 0.00 175.29 176.20 3idp s ARG 462 N -2.04 4.53 -0.20 1.67 3.52 -1.26 -0.95 118.95 124.21 3idp s ARG 462 Ca 0.52 1.49 -0.16 0.00 -0.13 0.00 0.00 55.73 57.45 3idp s ARG 462 Cb -0.29 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 3idp s ARG 462 CO 0.36 -0.11 -0.32 -0.89 -0.81 0.00 0.00 175.30 173.53 3idp n ILE 463 N 3.94 1.50 -3.81 4.11 2.08 0.58 -4.93 119.36 122.83 3idp n ILE 463 Ca 0.07 0.01 -0.10 0.00 0.56 0.00 0.00 62.75 63.29 3idp n ILE 463 Cb 0.50 -2.23 -0.05 0.00 -0.75 0.00 0.00 39.64 37.11 3idp n ILE 463 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3idp s GLY 464 N -5.00 0.09 0.00 7.39 0.00 -1.17 -5.02 107.32 103.61 3idp s GLY 464 Ca -0.30 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3idp s GLY 464 CO 0.43 -0.47 0.00 -1.14 0.00 0.00 0.00 173.10 171.92 3idp n SER 465 N -0.28 0.01 0.00 1.64 3.41 -1.26 0.21 113.62 117.34 3idp n SER 465 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3idp n SER 465 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3idp n SER 465 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3idp n GLY 466 N 0.03 3.54 0.52 5.00 0.00 -0.98 -4.61 105.19 108.70 3idp n GLY 466 Ca 0.00 -1.57 0.35 0.00 0.00 0.00 0.00 46.02 44.80 3idp n GLY 466 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3idp h SER 467 N 0.00 0.14 -0.55 1.61 0.02 -2.02 -2.53 113.55 110.22 3idp h SER 467 Ca 0.00 0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.65 3idp h SER 467 Cb 0.00 0.02 -0.21 0.00 0.14 0.00 0.00 62.40 62.36 3idp h SER 467 CO 0.00 -0.01 -0.06 0.49 -1.14 0.00 0.00 176.83 176.11 3idp n PHE 468 N -4.33 1.80 0.00 3.45 3.72 -1.26 -5.03 117.46 115.81 3idp n PHE 468 Ca 0.30 -1.94 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 3idp n PHE 468 Cb 1.29 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 3idp n PHE 468 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3idp n GLY 469 N -1.02 4.04 3.08 1.37 0.00 -0.95 -5.00 105.19 106.70 3idp n GLY 469 Ca 0.41 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3idp n GLY 469 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3idp s THR 470 N -2.26 1.32 -0.15 2.61 2.01 -0.16 -2.31 115.64 116.70 3idp s THR 470 Ca 0.00 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 3idp s THR 470 Cb 0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3idp s THR 470 CO 0.00 0.39 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 3idp s VAL 471 N 0.39 4.14 0.11 3.82 1.01 0.13 -0.94 120.40 129.06 3idp s VAL 471 Ca -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3idp s VAL 471 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3idp s VAL 471 CO 0.04 0.51 -0.19 -0.31 0.00 0.00 0.00 175.10 175.14 3idp s TYR 472 N 0.13 1.69 -0.01 5.22 1.51 -0.24 -0.31 117.35 125.33 3idp s TYR 472 Ca 0.01 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 3idp s TYR 472 Cb -0.13 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.77 3idp s TYR 472 CO 0.02 0.20 1.09 0.21 -1.11 0.00 0.00 175.55 175.96 3idp s LYS 473 N -2.08 4.46 0.00 -0.62 2.20 -0.13 -0.82 119.74 122.75 3idp s LYS 473 Ca 0.07 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 3idp s LYS 473 Cb -0.09 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3idp s LYS 473 CO 0.04 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 3idp n GLY 474 N 3.11 4.79 2.89 5.54 0.00 -0.57 -0.81 105.19 120.14 3idp n GLY 474 Ca 0.08 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3idp n GLY 474 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3idp s LYS 475 N -0.95 0.97 -0.30 1.61 -0.14 0.48 -3.01 119.74 118.41 3idp s LYS 475 Ca 0.00 -0.13 -0.03 0.00 -1.36 0.00 0.00 55.97 54.45 3idp s LYS 475 Cb 0.00 -1.00 0.19 0.00 -1.68 0.00 0.00 37.83 35.34 3idp s LYS 475 CO 0.00 -0.12 0.77 -0.46 -0.76 0.00 0.00 175.35 174.78 3idp s TRP 476 N 1.11 -1.27 -1.24 3.18 -0.00 -1.26 -1.50 118.94 117.96 3idp s TRP 476 Ca -0.08 1.03 -0.16 0.00 -0.00 0.00 0.00 56.10 56.90 3idp s TRP 476 Cb -0.14 0.33 0.00 0.00 -0.00 0.00 0.00 33.47 33.66 3idp s TRP 476 CO -0.01 -0.72 0.64 0.72 -0.00 0.00 0.00 176.95 177.59 3idp n HIS 477 N 5.38 -1.74 -0.75 5.86 8.25 -1.26 -4.67 115.22 126.29 3idp n HIS 477 Ca 0.01 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 3idp n HIS 477 Cb 0.54 -3.44 0.00 0.00 1.12 0.00 0.00 29.99 28.21 3idp n HIS 477 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3idp n GLY 478 N -1.85 -2.37 3.73 -1.41 0.00 -1.26 -4.96 105.19 97.07 3idp n GLY 478 Ca -0.17 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3idp n GLY 478 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3idp s ASP 479 N -3.02 6.62 0.19 1.61 1.01 -1.26 -4.45 116.67 117.36 3idp s ASP 479 Ca 0.00 2.63 -0.01 0.00 0.71 0.00 0.00 52.55 55.88 3idp s ASP 479 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3idp s ASP 479 CO 0.00 -0.77 0.10 0.68 0.21 0.00 0.00 175.17 175.39 3idp s VAL 480 N 0.66 0.13 0.03 -1.27 -7.23 -1.16 -3.39 120.40 108.16 3idp s VAL 480 Ca 0.65 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 3idp s VAL 480 Cb -0.43 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3idp s VAL 480 CO 0.36 -0.15 -0.04 0.00 -0.31 0.00 0.00 175.10 174.97 3idp s ALA 481 N -4.05 3.14 -0.10 1.32 0.00 0.25 -1.52 121.76 120.80 3idp s ALA 481 Ca 0.34 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3idp s ALA 481 Cb 0.07 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.03 3idp s ALA 481 CO 0.09 0.64 -0.11 0.08 0.00 0.00 0.00 175.76 176.46 3idp s VAL 482 N -1.10 1.17 -0.35 0.00 1.01 -0.00 -0.93 120.40 120.21 3idp s VAL 482 Ca 0.20 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3idp s VAL 482 Cb -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3idp s VAL 482 CO 0.11 0.38 0.16 -0.75 0.00 0.00 0.00 175.10 174.99 3idp s LYS 483 N 1.17 2.88 -0.01 2.72 2.20 0.49 -1.08 119.74 128.10 3idp s LYS 483 Ca -0.05 -1.02 0.07 0.00 -0.36 0.00 0.00 55.97 54.61 3idp s LYS 483 Cb -0.14 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3idp s LYS 483 CO -0.03 -0.62 -0.23 -1.64 -0.36 0.00 0.00 175.35 172.48 3idp s MET 484 N 1.52 2.16 -0.61 4.03 -1.94 -0.12 -0.49 119.30 123.84 3idp s MET 484 Ca 0.02 -0.90 -0.27 0.00 -1.71 0.00 0.00 55.69 52.82 3idp s MET 484 Cb -0.19 -2.12 0.03 0.00 2.01 0.00 0.00 34.83 34.57 3idp s MET 484 CO 0.05 0.57 1.18 -1.17 -0.01 0.00 0.00 175.02 175.64 3idp s LEU 485 N -0.77 3.48 -0.00 -0.03 2.96 -0.71 -0.99 118.68 122.62 3idp s LEU 485 Ca 0.11 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.77 3idp s LEU 485 Cb -0.10 -2.98 -0.08 0.00 0.50 0.00 0.00 46.19 43.52 3idp s LEU 485 CO 0.00 -1.53 0.84 0.78 -1.32 0.00 0.00 176.35 175.12 3idp h ASN 486 N 9.62 -0.47 -2.75 3.68 2.35 -1.92 -3.40 115.58 122.69 3idp h ASN 486 Ca -0.26 0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 54.94 3idp h ASN 486 Cb 1.06 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 3idp h ASN 486 CO 1.20 -0.21 1.18 -0.69 -1.65 0.00 0.00 177.43 177.26 3idp s VAL 487 N -3.56 3.62 0.56 2.81 1.01 -1.26 -4.99 120.40 118.58 3idp s VAL 487 Ca -0.08 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 3idp s VAL 487 Cb 0.01 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.80 3idp s VAL 487 CO 0.24 -0.36 0.76 0.35 0.00 0.00 0.00 175.10 176.10 3idp n THR 488 N 6.80 0.00 -2.79 3.92 -2.24 -1.26 -4.69 114.28 114.02 3idp n THR 488 Ca 0.20 -1.01 -0.05 0.00 -2.27 0.00 0.00 64.05 60.92 3idp n THR 488 Cb 0.46 -1.18 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 3idp n THR 488 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3idp n ALA 489 N -3.09 -2.86 -2.20 6.98 0.00 -1.26 -5.02 120.51 113.05 3idp n ALA 489 Ca -0.13 0.81 -0.30 0.00 0.00 0.00 0.00 53.44 53.83 3idp n ALA 489 Cb 0.42 -2.96 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 3idp n ALA 489 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3idp s PRO 490 N -2.61 3.75 0.48 0.00 0.05 -1.26 -5.06 135.00 130.34 3idp s PRO 490 Ca 0.17 0.44 -0.23 0.00 0.05 0.00 0.00 61.00 61.43 3idp s PRO 490 Cb -0.05 -2.39 -0.07 0.00 0.05 0.00 0.00 34.50 32.05 3idp s PRO 490 CO 0.70 -0.05 1.26 0.99 0.05 0.00 0.00 177.00 179.95 3idp s THR 491 N -2.41 2.62 -0.16 1.26 2.01 -1.26 -4.86 115.64 112.84 3idp s THR 491 Ca 0.51 0.48 0.16 0.00 0.31 0.00 0.00 61.69 63.15 3idp s THR 491 Cb -0.10 -3.25 0.16 0.00 0.01 0.00 0.00 72.50 69.31 3idp s THR 491 CO 0.33 0.01 1.43 -2.65 -0.69 0.00 0.00 174.62 173.05 3idp n PRO 492 N -0.59 0.10 0.01 4.92 -0.02 -1.26 -0.77 135.00 137.40 3idp n PRO 492 Ca 0.08 0.59 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 3idp n PRO 492 Cb 0.46 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.82 3idp n PRO 492 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3idp h GLN 493 N 0.00 0.15 -0.19 -0.52 4.15 -1.99 -3.04 115.11 113.66 3idp h GLN 493 Ca 0.00 -0.25 -0.18 0.00 0.77 0.00 0.00 58.65 58.99 3idp h GLN 493 Cb 0.28 0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.07 3idp h GLN 493 CO 0.00 0.89 -0.59 1.96 -1.93 0.00 0.00 178.83 179.17 3idp h GLN 494 N 0.04 0.73 -0.29 1.69 4.20 -1.62 -2.26 115.11 117.60 3idp h GLN 494 Ca -0.31 -0.53 0.03 0.00 0.06 0.00 0.00 58.65 57.90 3idp h GLN 494 Cb 2.01 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.87 3idp h GLN 494 CO 0.11 1.15 0.20 1.25 -0.67 0.00 0.00 178.83 180.86 3idp h LEU 495 N 0.44 0.22 -0.07 1.46 5.85 -1.09 -1.33 115.31 120.79 3idp h LEU 495 Ca -0.02 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3idp h LEU 495 Cb 1.21 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.19 3idp h LEU 495 CO 0.13 0.15 -0.48 -0.61 -0.34 0.00 0.00 178.44 177.29 3idp h GLN 496 N 0.26 0.45 -0.71 1.25 5.75 -1.41 -1.94 115.11 118.74 3idp h GLN 496 Ca 0.12 -0.39 0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3idp h GLN 496 Cb 0.16 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3idp h GLN 496 CO -0.02 1.03 0.47 0.00 -2.65 0.00 0.00 178.83 177.66 3idp h ALA 497 N 0.42 1.52 0.71 3.38 0.00 -1.08 0.20 119.26 124.42 3idp h ALA 497 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3idp h ALA 497 Cb 1.14 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.66 3idp h ALA 497 CO 0.10 0.43 -0.34 0.35 0.00 0.00 0.00 179.25 179.79 3idp h PHE 498 N 0.94 -0.89 -0.43 0.00 3.57 -1.28 -2.13 116.94 116.72 3idp h PHE 498 Ca 0.27 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.86 3idp h PHE 498 Cb -0.06 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3idp h PHE 498 CO -0.00 -0.52 0.30 0.87 -2.23 0.00 0.00 178.31 176.73 3idp h LYS 499 N -1.11 0.09 -0.12 1.11 1.57 -0.90 -1.10 116.57 116.10 3idp h LYS 499 Ca -0.10 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 3idp h LYS 499 Cb 0.76 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.06 3idp h LYS 499 CO 0.16 0.06 -0.78 -0.91 -0.57 0.00 0.00 179.45 177.41 3idp h ASN 500 N 0.09 0.80 -0.07 0.86 2.35 -0.56 -1.61 115.58 117.43 3idp h ASN 500 Ca 0.20 -0.53 -0.15 0.00 -0.55 0.00 0.00 56.30 55.27 3idp h ASN 500 Cb 0.68 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3idp h ASN 500 CO -0.02 1.32 -0.52 -0.08 -1.65 0.00 0.00 177.43 176.47 3idp h GLU 501 N 0.45 0.49 -0.70 0.81 4.81 -0.76 -2.70 114.58 116.98 3idp h GLU 501 Ca -0.05 -0.42 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3idp h GLU 501 Cb 1.40 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 3idp h GLU 501 CO 0.15 1.06 0.47 0.28 -0.73 0.00 0.00 179.01 180.24 3idp h VAL 502 N 0.05 1.17 -0.53 0.32 2.07 -1.31 0.06 116.25 118.08 3idp h VAL 502 Ca -0.04 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3idp h VAL 502 Cb 1.18 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3idp h VAL 502 CO 0.11 0.17 0.01 1.23 0.02 0.00 0.00 177.57 179.11 3idp h GLY 503 N 0.94 0.97 0.59 2.17 0.00 -1.23 -1.84 103.07 104.67 3idp h GLY 503 Ca 0.26 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3idp h GLY 503 CO -0.06 0.62 -0.45 -2.08 0.00 0.00 0.00 176.54 174.57 3idp h VAL 504 N 0.84 1.51 -0.76 4.60 2.07 -1.17 -3.35 116.25 119.98 3idp h VAL 504 Ca 0.16 -2.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 3idp h VAL 504 Cb 0.49 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 3idp h VAL 504 CO 0.02 0.59 0.34 -0.07 0.02 0.00 0.00 177.57 178.47 3idp h LEU 505 N -0.36 1.02 0.00 2.57 3.38 -0.97 -2.70 115.31 118.25 3idp h LEU 505 Ca -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3idp h LEU 505 Cb 1.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3idp h LEU 505 CO 0.09 0.89 0.00 -2.11 0.09 0.00 0.00 178.44 177.40 3idp n ARG 506 N -4.35 0.12 0.00 1.13 1.85 -0.70 -0.88 116.66 113.83 3idp n ARG 506 Ca 0.07 0.19 0.12 0.00 -1.00 0.00 0.00 57.85 57.23 3idp n ARG 506 Cb 0.16 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.39 3idp n ARG 506 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3idp n LYS 507 N -1.38 0.12 -3.79 2.89 5.02 -1.02 -4.89 118.16 115.11 3idp n LYS 507 Ca 0.05 -0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 3idp n LYS 507 Cb 0.14 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 3idp n LYS 507 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3idp s THR 508 N -2.92 3.95 -0.35 -0.18 -4.23 -0.06 -5.02 115.64 106.82 3idp s THR 508 Ca 0.14 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3idp s THR 508 Cb 0.18 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 71.21 3idp s THR 508 CO 0.65 0.24 0.14 -0.13 -0.54 0.00 0.00 174.62 174.98 3idp s ARG 509 N 1.53 0.91 -0.27 3.99 0.52 -1.26 -4.75 118.95 119.62 3idp s ARG 509 Ca 0.05 -1.40 -0.25 0.00 -0.52 0.00 0.00 55.73 53.61 3idp s ARG 509 Cb -0.16 -2.10 0.08 0.00 0.52 0.00 0.00 34.95 33.29 3idp s ARG 509 CO 0.02 -1.05 0.79 -1.58 0.02 0.00 0.00 175.30 173.50 3idp s HIS 510 N 1.17 -0.73 0.56 -0.53 2.46 -1.26 -5.05 115.29 111.91 3idp s HIS 510 Ca 0.13 1.76 0.24 0.00 0.47 0.00 0.00 55.06 57.66 3idp s HIS 510 Cb -0.20 0.31 1.53 0.00 -0.13 0.00 0.00 32.58 34.09 3idp s HIS 510 CO -0.15 -0.35 2.14 -0.24 -2.47 0.00 0.00 174.74 173.67 3idp h VAL 511 N 3.96 0.71 -0.63 0.89 3.04 -1.99 -2.09 116.25 120.15 3idp h VAL 511 Ca -0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 3idp h VAL 511 Cb 1.17 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3idp h VAL 511 CO 0.07 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.22 3idp n ASN 512 N -4.15 3.81 -4.19 3.17 5.03 -1.26 -4.78 115.26 112.89 3idp n ASN 512 Ca -0.00 -2.00 -0.33 0.00 0.87 0.00 0.00 54.58 53.12 3idp n ASN 512 Cb 0.22 -0.41 -0.16 0.00 -1.02 0.00 0.00 39.78 38.40 3idp n ASN 512 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3idp s ILE 513 N -1.17 2.20 0.12 2.41 -1.09 -0.79 -0.38 121.20 122.51 3idp s ILE 513 Ca 0.46 -0.93 -0.33 0.00 -2.23 0.00 0.00 60.65 57.62 3idp s ILE 513 Cb 0.25 -1.90 -0.18 0.00 -1.58 0.00 0.00 42.46 39.05 3idp s ILE 513 CO 0.33 0.54 0.79 -0.11 -1.23 0.00 0.00 174.94 175.26 3idp n LEU 514 N 4.12 -0.52 -4.58 2.97 7.94 -0.64 -4.65 117.00 121.64 3idp n LEU 514 Ca -0.20 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.42 3idp n LEU 514 Cb 0.51 -0.96 -0.03 0.00 0.53 0.00 0.00 43.42 43.47 3idp n LEU 514 CO 0.27 -2.42 0.98 -0.22 -1.11 0.00 0.00 177.39 174.89 3idp s LEU 515 N 1.61 3.66 0.05 -1.96 2.96 -1.26 -4.98 118.68 118.76 3idp s LEU 515 Ca 0.75 0.14 -0.31 0.00 -0.22 0.00 0.00 54.13 54.50 3idp s LEU 515 Cb -1.05 -3.23 -0.07 0.00 0.50 0.00 0.00 46.19 42.34 3idp s LEU 515 CO 0.56 -1.34 1.42 0.12 -1.32 0.00 0.00 176.35 175.79 3idp s PHE 516 N 4.54 2.95 -0.11 5.38 5.36 -1.26 -0.82 117.98 134.02 3idp s PHE 516 Ca 0.42 0.82 0.15 0.00 -0.96 0.00 0.00 56.93 57.36 3idp s PHE 516 Cb -0.08 -3.69 -0.21 0.00 -0.34 0.00 0.00 43.02 38.69 3idp s PHE 516 CO 0.26 -2.54 0.15 -1.33 -1.46 0.00 0.00 175.22 170.30 3idp n MET 517 N 4.87 1.18 0.00 10.12 2.81 0.59 -4.92 117.12 131.78 3idp n MET 517 Ca 0.13 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3idp n MET 517 Cb 0.43 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3idp n MET 517 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3idp n GLY 518 N 1.90 -0.47 3.24 3.03 0.00 -1.07 -4.97 105.19 106.85 3idp n GLY 518 Ca -0.18 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 3idp n GLY 518 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3idp s TYR 519 N -1.90 1.23 0.08 1.61 -0.85 0.15 -0.66 117.35 117.02 3idp s TYR 519 Ca 0.00 -1.07 -0.03 0.00 -0.52 0.00 0.00 57.07 55.45 3idp s TYR 519 Cb 0.00 -0.70 -0.03 0.00 0.38 0.00 0.00 41.96 41.61 3idp s TYR 519 CO 0.00 -0.27 0.06 0.45 -1.52 0.00 0.00 175.55 174.27 3idp s SER 520 N -3.18 0.34 0.00 -0.18 0.15 -0.49 -0.16 113.70 110.18 3idp s SER 520 Ca 0.26 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.95 3idp s SER 520 Cb 0.06 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3idp s SER 520 CO 0.05 -0.68 0.00 0.35 1.20 0.00 0.00 173.24 174.17 3idp n THR 521 N 0.00 0.00 -4.87 6.45 -2.24 -1.25 -1.66 114.28 110.72 3idp n THR 521 Ca -0.12 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3idp n THR 521 Cb 0.62 -0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 3idp n THR 521 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3idp s LYS 522 N -1.13 3.09 0.44 -0.78 3.01 -1.26 -2.55 119.74 120.56 3idp s LYS 522 Ca 0.00 -0.83 0.25 0.00 -1.01 0.00 0.00 55.97 54.37 3idp s LYS 522 Cb 0.00 -2.43 0.51 0.00 -1.01 0.00 0.00 37.83 34.90 3idp s LYS 522 CO 0.00 0.08 1.67 -1.00 0.51 0.00 0.00 175.35 176.62 3idp h PRO 523 N 7.03 0.00 -4.12 -1.68 0.13 -2.00 -3.37 132.00 127.99 3idp h PRO 523 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 3idp h PRO 523 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 3idp h PRO 523 CO 0.52 0.00 -0.62 1.14 -0.23 0.00 0.00 178.00 178.81 3idp s GLN 524 N -3.26 0.62 0.21 0.86 -2.07 -1.06 -4.99 119.66 109.97 3idp s GLN 524 Ca 0.06 -1.10 -0.32 0.00 -1.82 0.00 0.00 55.36 52.18 3idp s GLN 524 Cb 0.06 0.22 -0.12 0.00 -1.09 0.00 0.00 33.01 32.09 3idp s GLN 524 CO 0.65 -0.13 1.71 -0.51 -1.32 0.00 0.00 175.29 175.69 3idp s LEU 525 N -2.75 4.37 -0.10 2.60 1.43 -1.25 -3.78 118.68 119.20 3idp s LEU 525 Ca 0.04 2.86 -0.15 0.00 -1.03 0.00 0.00 54.13 55.85 3idp s LEU 525 Cb 0.06 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3idp s LEU 525 CO -0.09 -0.97 0.38 0.00 0.23 0.00 0.00 176.35 175.90 3idp s ALA 526 N 1.15 -0.95 -0.19 4.21 0.00 -0.67 -1.74 121.76 123.57 3idp s ALA 526 Ca 0.74 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 3idp s ALA 526 Cb -0.49 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.26 3idp s ALA 526 CO 0.32 -0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.16 3idp s ILE 527 N -0.39 2.73 -0.18 0.00 1.01 0.36 -1.40 121.20 123.33 3idp s ILE 527 Ca -0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 3idp s ILE 527 Cb -0.03 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3idp s ILE 527 CO 0.02 0.49 0.02 -0.69 0.00 0.00 0.00 174.94 174.79 3idp s VAL 528 N 1.22 4.42 0.19 2.92 1.01 0.17 -0.38 120.40 129.96 3idp s VAL 528 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3idp s VAL 528 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3idp s VAL 528 CO -0.06 0.47 0.00 0.42 0.00 0.00 0.00 175.10 175.93 3idp s THR 529 N 0.43 0.80 0.75 3.92 -4.23 -0.10 -0.30 115.64 116.91 3idp s THR 529 Ca 0.00 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.36 3idp s THR 529 Cb -0.13 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 3idp s THR 529 CO 0.01 -0.41 0.56 0.00 -0.54 0.00 0.00 174.62 174.24 3idp n GLN 530 N -0.31 0.24 -3.48 3.99 10.64 -0.00 0.85 117.38 129.32 3idp n GLN 530 Ca -0.06 0.13 -0.37 0.00 -1.83 0.00 0.00 57.00 54.87 3idp n GLN 530 Cb 0.63 -1.88 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 3idp n GLN 530 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 3idp s TRP 531 N -1.97 3.52 -0.17 2.61 -0.11 -1.22 -3.63 118.94 117.97 3idp s TRP 531 Ca 0.65 0.74 -0.00 0.00 1.22 0.00 0.00 56.10 58.70 3idp s TRP 531 Cb -0.33 -2.39 -0.00 0.00 -1.50 0.00 0.00 33.47 29.25 3idp s TRP 531 CO 0.58 0.29 -0.14 0.00 -4.62 0.00 0.00 176.95 173.06 3idp s GLU 533 N 0.98 4.44 0.00 0.00 2.56 -1.26 -4.92 118.70 120.50 3idp s GLU 533 Ca -0.02 1.28 0.00 0.00 0.00 0.00 0.00 54.97 56.23 3idp s GLU 533 Cb -0.15 -2.59 0.00 0.00 2.00 0.00 0.00 34.13 33.40 3idp s GLU 533 CO -0.02 0.15 0.00 0.41 -0.56 0.00 0.00 175.26 175.24 3idp n GLY 534 N 0.17 0.65 3.49 -1.50 0.00 -1.26 -1.38 105.19 105.35 3idp n GLY 534 Ca 0.04 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3idp n GLY 534 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3idp s SER 535 N -4.00 -0.10 0.73 1.61 1.04 -1.21 -4.96 113.70 106.81 3idp s SER 535 Ca 0.00 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 3idp s SER 535 Cb 0.00 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.69 3idp s SER 535 CO 0.00 -1.04 1.08 -0.94 0.98 0.00 0.00 173.24 173.33 3idp s SER 536 N -2.96 4.84 0.42 7.02 1.04 -1.26 -0.63 113.70 122.16 3idp s SER 536 Ca 0.16 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.46 3idp s SER 536 Cb 0.00 -2.52 0.89 0.00 0.10 0.00 0.00 66.02 64.49 3idp s SER 536 CO 0.02 -1.81 2.06 0.25 0.98 0.00 0.00 173.24 174.75 3idp h LEU 537 N -0.85 0.43 -0.45 2.42 5.85 -0.28 -2.23 115.31 120.20 3idp h LEU 537 Ca -0.44 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3idp h LEU 537 Cb 1.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3idp h LEU 537 CO 0.53 0.32 0.21 0.22 -0.34 0.00 0.00 178.44 179.38 3idp h TYR 538 N 0.51 0.67 -0.61 1.25 3.20 -1.69 -1.46 116.97 118.84 3idp h TYR 538 Ca 0.14 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3idp h TYR 538 Cb -0.05 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3idp h TYR 538 CO 0.00 0.55 0.30 1.25 -1.64 0.00 0.00 178.16 178.62 3idp h HIS 539 N 0.59 0.86 -0.31 -3.82 2.76 -1.73 -0.60 115.15 112.91 3idp h HIS 539 Ca 0.15 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3idp h HIS 539 Cb 0.14 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3idp h HIS 539 CO -0.01 0.65 -0.05 0.45 -1.30 0.00 0.00 177.93 177.67 3idp h HIS 540 N 0.83 0.66 0.06 5.26 3.86 -1.28 -1.58 115.15 122.95 3idp h HIS 540 Ca 0.21 -0.13 -0.26 0.00 -1.16 0.00 0.00 60.37 59.03 3idp h HIS 540 Cb 0.10 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.42 3idp h HIS 540 CO -0.00 0.76 -1.09 -0.07 0.86 0.00 0.00 177.93 178.39 3idp h LEU 541 N 0.37 0.59 -0.27 2.43 3.38 -1.16 0.21 115.31 120.85 3idp h LEU 541 Ca 0.08 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3idp h LEU 541 Cb 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3idp h LEU 541 CO 0.03 1.35 -0.01 1.41 0.09 0.00 0.00 178.44 181.31 3idp n HIS 542 N -3.71 0.00 0.00 1.13 8.25 -0.24 -4.22 115.22 116.43 3idp n HIS 542 Ca -0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 3idp n HIS 542 Cb 0.92 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 3idp n HIS 542 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3idp n ILE 543 N -0.73 0.43 1.05 1.59 5.41 -0.74 -4.77 119.36 121.60 3idp n ILE 543 Ca 0.00 0.08 0.12 0.00 1.00 0.00 0.00 62.75 63.95 3idp n ILE 543 Cb 0.01 -1.56 0.21 0.00 -0.71 0.00 0.00 39.64 37.58 3idp n ILE 543 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3idp n ILE 544 N -3.23 0.05 -4.09 1.39 -5.35 -0.67 -4.99 119.36 102.47 3idp n ILE 544 Ca -0.04 -0.46 -0.30 0.00 -0.27 0.00 0.00 62.75 61.68 3idp n ILE 544 Cb 0.40 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 3idp n ILE 544 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3idp n GLU 545 N 1.08 -2.95 -1.67 6.28 1.02 -0.64 -4.89 120.64 118.87 3idp n GLU 545 Ca 0.16 0.35 -0.44 0.00 -0.02 0.00 0.00 57.16 57.21 3idp n GLU 545 Cb 0.54 -4.60 -0.02 0.00 -0.02 0.00 0.00 31.44 27.34 3idp n GLU 545 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3idp n THR 546 N -4.42 1.19 -3.70 2.62 -1.04 0.63 -4.97 114.28 104.59 3idp n THR 546 Ca -0.19 -0.30 -0.37 0.00 -2.04 0.00 0.00 64.05 61.15 3idp n THR 546 Cb 0.62 -1.48 -0.10 0.00 -1.82 0.00 0.00 70.33 67.56 3idp n THR 546 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3idp s LYS 547 N -0.73 2.48 0.50 -2.82 1.02 -1.26 -4.74 119.74 114.18 3idp s LYS 547 Ca 0.65 -2.29 -0.20 0.00 0.02 0.00 0.00 55.97 54.15 3idp s LYS 547 Cb -0.63 -3.75 -0.08 0.00 -0.52 0.00 0.00 37.83 32.84 3idp s LYS 547 CO 0.52 -1.16 1.04 -0.06 -0.92 0.00 0.00 175.35 174.77 3idp s PHE 548 N 0.36 3.00 0.76 3.18 0.40 -1.26 -5.05 117.98 119.38 3idp s PHE 548 Ca 0.14 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.93 3idp s PHE 548 Cb -0.21 -3.06 0.05 0.00 0.51 0.00 0.00 43.02 40.32 3idp s PHE 548 CO -0.04 -0.84 1.08 -1.21 0.70 0.00 0.00 175.22 174.91 3idp s GLU 549 N -3.32 2.35 0.23 0.44 2.02 -1.26 -4.86 118.70 114.30 3idp s GLU 549 Ca 0.67 0.82 -0.08 0.00 0.02 0.00 0.00 54.97 56.39 3idp s GLU 549 Cb -0.16 -1.93 0.20 0.00 0.10 0.00 0.00 34.13 32.33 3idp s GLU 549 CO 0.21 -1.48 1.89 1.98 0.02 0.00 0.00 175.26 177.89 3idp h MET 550 N -0.99 1.15 0.00 1.61 1.85 -1.97 -2.15 114.93 114.43 3idp h MET 550 Ca -0.46 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 58.52 3idp h MET 550 Cb 1.24 -0.25 -0.00 0.00 0.43 0.00 0.00 31.60 33.02 3idp h MET 550 CO 0.57 0.77 -0.15 0.97 -0.40 0.00 0.00 176.91 178.68 3idp h ILE 551 N 1.17 0.66 0.20 1.77 2.10 -1.97 -1.51 117.51 119.94 3idp h ILE 551 Ca 0.31 -0.61 -0.33 0.00 1.08 0.00 0.00 64.86 65.31 3idp h ILE 551 Cb -0.11 1.38 0.02 0.00 -1.09 0.00 0.00 36.82 37.03 3idp h ILE 551 CO -0.07 0.14 -1.56 0.50 -1.08 0.00 0.00 178.15 176.08 3idp h LYS 552 N 0.00 0.43 -0.80 2.19 3.64 -1.82 -2.65 116.57 117.58 3idp h LYS 552 Ca -0.00 -0.74 0.06 0.00 -1.27 0.00 0.00 60.65 58.70 3idp h LYS 552 Cb 0.37 0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 3idp h LYS 552 CO 0.02 1.34 0.48 -0.07 -2.27 0.00 0.00 179.45 178.95 3idp h LEU 553 N 0.12 0.73 -0.58 5.20 3.38 -0.88 0.26 115.31 123.54 3idp h LEU 553 Ca -0.28 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3idp h LEU 553 Cb 2.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 3idp h LEU 553 CO 0.22 0.46 -0.10 0.40 0.09 0.00 0.00 178.44 179.52 3idp h ILE 554 N 0.86 1.27 -0.95 1.22 2.04 -1.37 -2.29 117.51 118.29 3idp h ILE 554 Ca 0.35 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.97 3idp h ILE 554 Cb 0.19 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3idp h ILE 554 CO -0.18 0.45 0.63 -0.78 0.00 0.00 0.00 178.15 178.26 3idp h ASP 555 N 0.92 1.07 -0.45 1.72 3.58 -0.98 0.14 116.42 122.42 3idp h ASP 555 Ca 0.14 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 3idp h ASP 555 Cb 0.67 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 3idp h ASP 555 CO 0.05 0.77 0.18 0.40 -2.88 0.00 0.00 179.24 177.75 3idp h ILE 556 N 1.26 1.20 -0.56 2.25 2.04 -0.70 -2.07 117.51 120.93 3idp h ILE 556 Ca 0.36 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3idp h ILE 556 Cb -0.11 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3idp h ILE 556 CO -0.09 0.23 0.09 0.00 0.00 0.00 0.00 178.15 178.39 3idp h ALA 557 N 1.03 1.10 -0.02 1.87 0.00 -1.11 -2.02 119.26 120.11 3idp h ALA 557 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3idp h ALA 557 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3idp h ALA 557 CO -0.01 0.59 0.01 -0.09 0.00 0.00 0.00 179.25 179.74 3idp h ARG 558 N 0.85 0.03 -0.87 0.00 2.43 -0.74 -2.09 114.38 113.98 3idp h ARG 558 Ca 0.18 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3idp h ARG 558 Cb 0.38 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3idp h ARG 558 CO 0.01 0.21 0.51 1.96 -1.51 0.00 0.00 179.97 181.15 3idp h GLN 559 N -0.16 1.19 -0.54 0.20 4.20 -1.28 0.20 115.11 118.92 3idp h GLN 559 Ca 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3idp h GLN 559 Cb 0.19 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3idp h GLN 559 CO -0.00 0.85 0.31 1.15 -0.67 0.00 0.00 178.83 180.46 3idp h THR 560 N 1.20 1.18 -0.51 -0.54 2.02 -1.33 -0.81 112.91 114.13 3idp h THR 560 Ca 0.31 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 3idp h THR 560 Cb -0.03 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3idp h THR 560 CO -0.06 0.19 -0.10 0.00 0.37 0.00 0.00 175.52 175.92 3idp h ALA 561 N 1.14 0.87 -0.15 6.16 0.00 -0.81 0.14 119.26 126.61 3idp h ALA 561 Ca 0.19 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3idp h ALA 561 Cb 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3idp h ALA 561 CO -0.03 0.64 -0.22 1.96 0.00 0.00 0.00 179.25 181.60 3idp h GLN 562 N 0.83 -0.26 0.06 0.00 1.08 -0.16 0.15 115.11 116.82 3idp h GLN 562 Ca 0.14 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 3idp h GLN 562 Cb 0.63 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3idp h GLN 562 CO 0.04 -0.17 -0.11 0.78 -0.95 0.00 0.00 178.83 178.42 3idp h GLY 563 N -0.27 -0.19 0.71 3.46 0.00 -0.88 -2.05 103.07 103.85 3idp h GLY 563 Ca 0.11 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.61 3idp h GLY 563 CO -0.31 -0.12 0.05 -0.33 0.00 0.00 0.00 176.54 175.84 3idp h MET 564 N -0.23 0.15 -0.67 4.80 2.86 -0.57 -1.88 114.93 119.38 3idp h MET 564 Ca 0.02 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 3idp h MET 564 Cb 0.25 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.76 3idp h MET 564 CO -0.07 0.10 0.02 0.22 1.06 0.00 0.00 176.91 178.24 3idp h ASP 565 N 0.15 -0.27 0.15 1.22 3.58 -0.59 -1.23 116.42 119.43 3idp h ASP 565 Ca 0.12 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 3idp h ASP 565 Cb 0.12 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.46 3idp h ASP 565 CO -0.16 -0.13 -0.07 0.22 -2.88 0.00 0.00 179.24 176.23 3idp h TYR 566 N 0.13 -0.19 -0.48 0.28 3.20 -0.83 -0.82 116.97 118.26 3idp h TYR 566 Ca 0.36 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.30 3idp h TYR 566 Cb 0.60 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 3idp h TYR 566 CO -0.37 -0.08 0.14 -0.07 -1.64 0.00 0.00 178.16 176.14 3idp h LEU 567 N -0.25 0.11 -0.78 2.82 3.38 -0.96 -1.61 115.31 118.03 3idp h LEU 567 Ca -0.02 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3idp h LEU 567 Cb 0.19 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3idp h LEU 567 CO 0.03 0.09 0.39 0.45 0.09 0.00 0.00 178.44 179.50 3idp h HIS 568 N 0.30 1.10 -0.47 1.13 3.86 -1.09 0.32 115.15 120.30 3idp h HIS 568 Ca 0.23 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3idp h HIS 568 Cb 0.27 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3idp h HIS 568 CO -0.18 0.79 0.31 0.00 0.86 0.00 0.00 177.93 179.71 3idp h ALA 569 N 1.20 1.84 -0.34 2.45 0.00 -0.57 0.14 119.26 123.97 3idp h ALA 569 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3idp h ALA 569 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3idp h ALA 569 CO -0.04 0.10 0.01 1.63 0.00 0.00 0.00 179.25 180.95 3idp n LYS 570 N -4.48 3.28 -3.13 0.00 4.76 -0.66 -4.92 118.16 113.03 3idp n LYS 570 Ca 0.05 -1.86 -0.23 0.00 -2.87 0.00 0.00 58.31 53.41 3idp n LYS 570 Cb 0.18 -1.95 0.04 0.00 -1.84 0.00 0.00 35.03 31.46 3idp n LYS 570 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3idp n SER 571 N 0.35 -6.06 -4.43 4.39 7.64 0.48 -4.98 113.62 111.02 3idp n SER 571 Ca 0.17 -0.33 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 3idp n SER 571 Cb 0.82 -4.88 -0.13 0.00 -1.01 0.00 0.00 64.21 59.01 3idp n SER 571 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3idp s ILE 572 N -3.19 4.03 -0.24 0.44 1.01 0.11 -4.97 121.20 118.38 3idp s ILE 572 Ca 0.35 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 3idp s ILE 572 Cb -0.16 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3idp s ILE 572 CO 0.43 0.39 0.40 -0.63 0.00 0.00 0.00 174.94 175.54 3idp s ILE 573 N 1.34 5.17 0.11 2.92 1.01 -1.26 -3.53 121.20 126.95 3idp s ILE 573 Ca 0.04 0.67 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 3idp s ILE 573 Cb -0.15 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3idp s ILE 573 CO 0.02 0.18 1.62 -0.74 0.00 0.00 0.00 174.94 176.01 3idp h HIS 574 N 7.86 0.52 0.00 3.97 -0.00 -1.96 -3.47 115.15 122.07 3idp h HIS 574 Ca -0.33 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3idp h HIS 574 Cb 1.16 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 3idp h HIS 574 CO 0.73 0.54 0.00 0.54 -0.00 0.00 0.00 177.93 179.73 3idp n ARG 575 N -4.67 0.00 -2.77 5.26 1.74 -1.26 -4.70 116.66 110.26 3idp n ARG 575 Ca -0.02 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3idp n ARG 575 Cb 0.18 -1.62 0.08 0.00 -1.02 0.00 0.00 32.46 30.09 3idp n ARG 575 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3idp n ASP 576 N 0.00 0.27 -4.69 0.55 2.03 -1.26 -5.06 116.55 108.40 3idp n ASP 576 Ca 0.00 -2.11 -0.42 0.00 0.52 0.00 0.00 54.79 52.78 3idp n ASP 576 Cb 0.00 0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 3idp n ASP 576 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3idp s LEU 577 N -3.94 4.31 0.19 -2.67 2.96 -1.26 -4.84 118.68 113.43 3idp s LEU 577 Ca 0.19 2.00 -0.22 0.00 -0.22 0.00 0.00 54.13 55.89 3idp s LEU 577 Cb 0.38 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.56 3idp s LEU 577 CO -0.08 -0.65 0.62 -1.59 -1.32 0.00 0.00 176.35 173.33 3idp s LYS 578 N 2.21 1.40 0.59 1.98 -2.85 -1.26 -4.80 119.74 117.01 3idp s LYS 578 Ca 0.61 -0.60 0.35 0.00 -1.00 0.00 0.00 55.97 55.32 3idp s LYS 578 Cb -0.29 0.59 1.87 0.00 -2.06 0.00 0.00 37.83 37.94 3idp s LYS 578 CO 0.25 -0.62 2.20 0.66 0.10 0.00 0.00 175.35 177.94 3idp h SER 579 N 2.01 0.00 1.43 0.03 4.64 -1.93 -0.54 113.55 119.19 3idp h SER 579 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3idp h SER 579 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3idp h SER 579 CO 0.35 0.04 0.00 -1.13 -0.87 0.00 0.00 176.83 175.21 3idp h ASN 580 N 0.00 0.00 -0.59 4.97 -0.73 -1.94 -2.29 115.58 115.00 3idp h ASN 580 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3idp h ASN 580 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.77 3idp h ASN 580 CO 0.00 0.00 0.00 0.59 -0.37 0.00 0.00 177.43 177.65 3idp n ASN 581 N -2.97 3.47 -4.11 1.15 3.02 -0.21 -4.70 115.26 110.91 3idp n ASN 581 Ca 0.02 -2.10 -0.35 0.00 -0.03 0.00 0.00 54.58 52.12 3idp n ASN 581 Cb 0.40 -0.44 -0.12 0.00 -0.61 0.00 0.00 39.78 39.01 3idp n ASN 581 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3idp s ILE 582 N -1.35 3.11 0.12 2.41 1.01 -1.10 -2.21 121.20 123.19 3idp s ILE 582 Ca 0.41 -2.00 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 3idp s ILE 582 Cb 0.23 -3.11 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 3idp s ILE 582 CO 0.26 -0.60 0.59 0.12 0.00 0.00 0.00 174.94 175.31 3idp s PHE 583 N 1.13 3.72 -0.69 3.97 5.36 -0.52 -0.34 117.98 130.60 3idp s PHE 583 Ca 0.07 1.23 -0.09 0.00 -0.96 0.00 0.00 56.93 57.18 3idp s PHE 583 Cb -0.22 -2.48 0.18 0.00 -0.34 0.00 0.00 43.02 40.16 3idp s PHE 583 CO -0.04 0.50 0.57 -0.51 -1.46 0.00 0.00 175.22 174.28 3idp s LEU 584 N -1.51 5.96 -0.26 6.12 1.43 0.19 -1.11 118.68 129.51 3idp s LEU 584 Ca 0.34 -2.66 -0.29 0.00 -1.03 0.00 0.00 54.13 50.49 3idp s LEU 584 Cb -0.18 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 3idp s LEU 584 CO 0.20 -0.50 1.81 -2.28 0.23 0.00 0.00 176.35 175.81 3idp s HIS 585 N 0.22 1.77 -1.39 0.29 5.65 0.55 -1.26 115.29 121.13 3idp s HIS 585 Ca 0.16 0.52 0.00 0.00 0.25 0.00 0.00 55.06 55.99 3idp s HIS 585 Cb -0.17 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.17 3idp s HIS 585 CO -0.05 -3.27 0.00 0.39 -0.65 0.00 0.00 174.74 171.16 3idp n GLU 586 N 8.19 -1.95 -2.61 2.88 1.02 -0.48 -1.58 120.64 126.12 3idp n GLU 586 Ca 0.22 0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 57.97 3idp n GLU 586 Cb 0.46 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 3idp n GLU 586 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3idp n ASP 587 N -1.81 -5.12 0.00 1.62 8.00 -0.39 -4.79 116.55 114.06 3idp n ASP 587 Ca -0.19 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3idp n ASP 587 Cb 0.63 -4.25 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 3idp n ASP 587 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3idp n LEU 588 N -3.20 0.00 -4.75 0.64 7.94 -0.61 -5.07 117.00 111.95 3idp n LEU 588 Ca -0.17 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.33 3idp n LEU 588 Cb 0.64 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.53 3idp n LEU 588 CO 0.30 -0.25 0.67 -0.89 -1.11 0.00 0.00 177.39 176.12 3idp s THR 589 N -0.50 3.98 -0.03 1.96 2.01 -1.06 -4.86 115.64 117.14 3idp s THR 589 Ca 0.00 1.98 -0.17 0.00 0.31 0.00 0.00 61.69 63.81 3idp s THR 589 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 3idp s THR 589 CO 0.00 0.46 0.48 -0.69 -0.69 0.00 0.00 174.62 174.18 3idp s VAL 590 N -1.20 5.02 -0.21 3.82 1.01 -1.26 -0.33 120.40 127.25 3idp s VAL 590 Ca 0.42 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 3idp s VAL 590 Cb -0.27 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3idp s VAL 590 CO 0.33 0.47 -0.04 -0.54 0.00 0.00 0.00 175.10 175.32 3idp s LYS 591 N -0.40 1.47 0.41 2.72 -0.14 -0.27 -4.30 119.74 119.23 3idp s LYS 591 Ca 0.26 -0.79 -0.22 0.00 -1.36 0.00 0.00 55.97 53.85 3idp s LYS 591 Cb -0.17 -2.38 -0.10 0.00 -1.68 0.00 0.00 37.83 33.50 3idp s LYS 591 CO 0.14 -0.56 0.98 0.42 -0.76 0.00 0.00 175.35 175.57 3idp s ILE 592 N 1.51 4.13 0.00 2.17 1.01 0.49 -1.44 121.20 129.07 3idp s ILE 592 Ca -0.03 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3idp s ILE 592 Cb -0.18 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3idp s ILE 592 CO -0.07 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.33 3idp n GLY 593 N -0.14 1.27 3.01 6.18 0.00 -0.94 -1.62 105.19 112.94 3idp n GLY 593 Ca 0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3idp n GLY 593 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3idp s ASP 594 N -0.54 4.68 0.00 1.61 -1.08 -1.26 -4.77 116.67 115.30 3idp s ASP 594 Ca 0.00 -2.38 0.17 0.00 -0.52 0.00 0.00 52.55 49.83 3idp s ASP 594 Cb 0.00 -1.64 0.58 0.00 -1.46 0.00 0.00 42.92 40.40 3idp s ASP 594 CO 0.00 -0.35 1.44 0.49 0.52 0.00 0.00 175.17 177.27 3idp n PHE 595 N 3.97 0.33 -3.77 -5.34 3.01 -1.26 -4.94 117.46 109.47 3idp n PHE 595 Ca 0.04 -0.17 -0.25 0.00 1.01 0.00 0.00 57.45 58.09 3idp n PHE 595 Cb 0.39 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.84 3idp n PHE 595 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3idp s GLY 596 N -1.35 1.54 -0.25 1.37 0.00 -1.26 -5.10 107.32 102.26 3idp s GLY 596 Ca 0.30 -0.99 0.22 0.00 0.00 0.00 0.00 44.72 44.25 3idp s GLY 596 CO 0.23 -0.97 1.12 1.04 0.00 0.00 0.00 173.10 174.51 3idp n LEU 597 N -1.04 1.74 -0.27 0.66 4.77 -1.26 -5.05 117.00 116.55 3idp n LEU 597 Ca -0.06 -3.09 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 3idp n LEU 597 Cb 0.55 0.42 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3idp n LEU 597 CO 0.48 1.07 0.00 -1.20 -1.33 0.00 0.00 177.39 176.41 3idp n SER 614 N -0.58 0.00 -1.08 -1.43 7.64 -1.26 -4.60 113.62 112.32 3idp n SER 614 Ca 0.09 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.04 3idp n SER 614 Cb 0.82 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.25 3idp n SER 614 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3idp n GLY 615 N 0.08 1.69 0.21 0.23 0.00 -1.26 -3.97 105.19 102.18 3idp n GLY 615 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.54 3idp n GLY 615 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3idp n SER 616 N 0.73 2.51 -0.22 1.61 3.41 -1.26 -4.79 113.62 115.61 3idp n SER 616 Ca 0.17 -2.67 -0.00 0.00 -0.26 0.00 0.00 58.87 56.11 3idp n SER 616 Cb 0.57 -0.30 0.11 0.00 -0.26 0.00 0.00 64.21 64.33 3idp n SER 616 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3idp h ILE 617 N 0.42 0.84 -0.33 -1.33 3.07 -1.98 -2.00 117.51 116.19 3idp h ILE 617 Ca 0.00 -0.18 0.10 0.00 1.55 0.00 0.00 64.86 66.33 3idp h ILE 617 Cb 0.89 0.28 -0.01 0.00 -0.27 0.00 0.00 36.82 37.71 3idp h ILE 617 CO 0.03 0.09 0.30 -0.07 -1.05 0.00 0.00 178.15 177.46 3idp h LEU 618 N 0.52 0.00 -2.53 0.16 3.38 -1.92 -0.18 115.31 114.74 3idp h LEU 618 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3idp h LEU 618 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3idp h LEU 618 CO -0.26 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.06 3idp n TRP 619 N -4.00 0.80 -3.11 1.13 8.01 -0.76 -4.94 117.44 114.57 3idp n TRP 619 Ca 0.05 -0.40 -0.40 0.00 -1.31 0.00 0.00 57.50 55.44 3idp n TRP 619 Cb 0.46 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.71 3idp n TRP 619 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3idp s MET 620 N -1.20 4.23 0.66 -0.99 -1.94 -0.08 -3.84 119.30 116.13 3idp s MET 620 Ca 0.45 0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 54.90 3idp s MET 620 Cb 0.24 -3.57 -0.01 0.00 2.01 0.00 0.00 34.83 33.51 3idp s MET 620 CO 0.33 -0.21 1.19 0.00 -0.01 0.00 0.00 175.02 176.31 3idp n ALA 621 N 4.94 0.76 -0.32 3.03 0.00 -1.26 -4.63 120.51 123.03 3idp n ALA 621 Ca -0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3idp n ALA 621 Cb 0.50 -2.26 0.32 0.00 0.00 0.00 0.00 19.45 18.01 3idp n ALA 621 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3idp h PRO 622 N 0.34 0.54 -0.90 0.00 0.11 -1.91 0.15 132.00 130.34 3idp h PRO 622 Ca -0.50 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3idp h PRO 622 Cb 1.34 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3idp h PRO 622 CO 0.51 0.36 0.59 0.93 -0.21 0.00 0.00 178.00 180.19 3idp h GLU 623 N 0.56 1.16 0.20 1.05 3.07 -1.90 -2.62 114.58 116.10 3idp h GLU 623 Ca 0.57 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.35 3idp h GLU 623 Cb 1.01 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3idp h GLU 623 CO -0.46 0.77 -0.09 0.28 -1.40 0.00 0.00 179.01 178.11 3idp h VAL 624 N 1.20 0.83 0.00 3.13 2.07 -1.35 -3.27 116.25 118.86 3idp h VAL 624 Ca 0.33 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3idp h VAL 624 Cb -0.11 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3idp h VAL 624 CO -0.08 0.19 0.02 -0.29 0.02 0.00 0.00 177.57 177.43 3idp h ILE 625 N -0.80 0.00 -0.00 4.57 2.10 -0.73 -2.59 117.51 120.06 3idp h ILE 625 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.91 3idp h ILE 625 Cb 0.52 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 3idp h ILE 625 CO 0.04 0.00 -0.05 -1.14 -1.08 0.00 0.00 178.15 175.93 3idp n ARG 626 N -2.38 0.74 -3.75 2.19 0.63 -0.99 -4.89 116.66 108.21 3idp n ARG 626 Ca -0.02 -0.16 -0.26 0.00 -0.92 0.00 0.00 57.85 56.49 3idp n ARG 626 Cb 0.06 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.52 3idp n ARG 626 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3idp n MET 627 N -0.99 -6.48 -1.88 -0.14 2.81 -0.97 -4.96 117.12 104.50 3idp n MET 627 Ca 0.17 0.70 -0.34 0.00 -1.81 0.00 0.00 57.70 56.42 3idp n MET 627 Cb 0.23 -5.64 0.04 0.00 -0.71 0.00 0.00 33.22 27.15 3idp n MET 627 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3idp s GLN 628 N -6.39 2.91 0.02 0.03 -0.21 -1.26 -5.00 119.66 109.76 3idp s GLN 628 Ca 0.55 1.51 -0.22 0.00 0.02 0.00 0.00 55.36 57.22 3idp s GLN 628 Cb -0.26 -1.95 -0.12 0.00 1.00 0.00 0.00 33.01 31.67 3idp s GLN 628 CO 0.79 -1.18 1.15 -0.44 -2.12 0.00 0.00 175.29 173.48 3idp h ASP 629 N 0.38 -0.67 -2.54 5.90 3.32 -1.98 -3.43 116.42 117.38 3idp h ASP 629 Ca -0.48 0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.07 3idp h ASP 629 Cb 1.26 0.17 0.04 0.00 0.22 0.00 0.00 39.33 41.03 3idp h ASP 629 CO 0.55 -0.42 1.11 -1.59 -1.72 0.00 0.00 179.24 177.16 3idp s LYS 630 N -4.44 4.13 -0.39 3.56 -2.85 -1.26 -4.83 119.74 113.67 3idp s LYS 630 Ca -0.12 2.62 -0.36 0.00 -1.00 0.00 0.00 55.97 57.11 3idp s LYS 630 Cb 0.01 -3.51 -0.15 0.00 -2.06 0.00 0.00 37.83 32.12 3idp s LYS 630 CO 0.35 -0.84 1.33 -1.71 0.10 0.00 0.00 175.35 174.58 3idp n ASN 631 N 5.42 0.86 -0.33 0.03 5.15 -1.26 -4.85 115.26 120.28 3idp n ASN 631 Ca 0.18 0.84 0.12 0.00 -0.60 0.00 0.00 54.58 55.11 3idp n ASN 631 Cb 0.37 -0.68 0.21 0.00 -0.53 0.00 0.00 39.78 39.15 3idp n ASN 631 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3idp n PRO 632 N 3.67 0.93 -2.79 1.20 -0.04 -1.26 -4.96 135.00 131.75 3idp n PRO 632 Ca 0.28 -0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 62.68 3idp n PRO 632 Cb -0.04 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 3idp n PRO 632 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3idp s TYR 633 N -2.52 3.90 0.34 0.54 1.51 -1.26 -4.69 117.35 115.17 3idp s TYR 633 Ca 0.21 1.81 -0.09 0.00 -1.01 0.00 0.00 57.07 57.99 3idp s TYR 633 Cb 0.19 -2.97 0.02 0.00 -0.11 0.00 0.00 41.96 39.09 3idp s TYR 633 CO 0.56 0.36 0.59 -1.54 -1.11 0.00 0.00 175.55 174.41 3idp s SER 634 N -0.66 0.41 0.35 2.29 1.04 -1.26 -5.00 113.70 110.87 3idp s SER 634 Ca 0.42 -1.25 0.07 0.00 0.48 0.00 0.00 55.95 55.67 3idp s SER 634 Cb -0.24 0.72 0.75 0.00 0.10 0.00 0.00 66.02 67.34 3idp s SER 634 CO 0.30 -1.41 1.91 -0.26 0.98 0.00 0.00 173.24 174.75 3idp h PHE 635 N 2.09 0.83 -0.00 5.02 0.05 -1.96 -2.56 116.94 120.41 3idp h PHE 635 Ca -0.29 0.02 -0.12 0.00 3.82 0.00 0.00 57.97 61.41 3idp h PHE 635 Cb 1.25 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.91 3idp h PHE 635 CO 1.25 0.38 -0.56 1.96 -0.18 0.00 0.00 178.31 181.16 3idp h GLN 636 N 0.77 0.00 -0.22 1.51 7.50 -1.92 -2.30 115.11 120.45 3idp h GLN 636 Ca 0.39 -0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.41 3idp h GLN 636 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 3idp h GLN 636 CO -0.16 0.56 -0.41 0.66 -1.50 0.00 0.00 178.83 177.99 3idp h SER 637 N 0.00 0.54 -0.91 1.46 4.64 -1.79 -1.56 113.55 115.94 3idp h SER 637 Ca -0.01 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3idp h SER 637 Cb 0.99 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 3idp h SER 637 CO 0.07 0.89 0.50 0.44 -0.87 0.00 0.00 176.83 177.87 3idp h ASP 638 N 0.42 1.13 -0.33 4.97 3.32 -1.34 -2.36 116.42 122.23 3idp h ASP 638 Ca 0.04 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3idp h ASP 638 Cb 0.89 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3idp h ASP 638 CO 0.08 0.90 0.16 0.58 -1.72 0.00 0.00 179.24 179.24 3idp h VAL 639 N 1.27 1.17 -0.46 -1.35 2.07 -1.14 -0.62 116.25 117.19 3idp h VAL 639 Ca 0.32 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3idp h VAL 639 Cb 0.02 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 3idp h VAL 639 CO -0.05 0.17 -0.01 0.22 0.02 0.00 0.00 177.57 177.92 3idp h TYR 640 N 0.40 -0.05 -0.80 1.57 3.20 -1.03 0.12 116.97 120.38 3idp h TYR 640 Ca 0.11 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3idp h TYR 640 Cb 0.13 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3idp h TYR 640 CO -0.01 -0.11 0.48 0.00 -1.64 0.00 0.00 178.16 176.88 3idp h ALA 641 N 1.41 1.09 -0.85 1.82 0.00 -0.95 -0.85 119.26 120.93 3idp h ALA 641 Ca 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3idp h ALA 641 Cb 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3idp h ALA 641 CO -0.39 0.21 0.56 0.35 0.00 0.00 0.00 179.25 179.98 3idp h PHE 642 N 0.88 1.07 -0.89 0.00 3.57 0.41 -1.05 116.94 120.93 3idp h PHE 642 Ca 0.35 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.93 3idp h PHE 642 Cb 0.18 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 3idp h PHE 642 CO -0.05 0.67 0.58 0.78 -2.23 0.00 0.00 178.31 178.06 3idp h GLY 643 N 1.15 1.29 1.07 2.40 0.00 0.55 0.26 103.07 109.79 3idp h GLY 643 Ca 0.31 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 3idp h GLY 643 CO -0.07 0.31 -0.41 -2.22 0.00 0.00 0.00 176.54 174.15 3idp h ILE 644 N 1.03 1.29 -0.91 2.60 1.08 -0.57 -1.51 117.51 120.52 3idp h ILE 644 Ca 0.38 -1.59 0.09 0.00 -0.39 0.00 0.00 64.86 63.34 3idp h ILE 644 Cb 0.16 1.56 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 3idp h ILE 644 CO -0.13 0.52 0.59 0.58 -0.69 0.00 0.00 178.15 179.01 3idp h VAL 645 N 0.61 0.98 -0.43 1.67 2.07 -0.72 0.14 116.25 120.56 3idp h VAL 645 Ca 0.04 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3idp h VAL 645 Cb 1.01 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3idp h VAL 645 CO 0.10 0.17 -0.11 -0.07 0.02 0.00 0.00 177.57 177.67 3idp h LEU 646 N 0.93 0.77 -0.14 2.57 3.38 -0.60 -0.55 115.31 121.67 3idp h LEU 646 Ca 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3idp h LEU 646 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3idp h LEU 646 CO -0.18 0.91 0.04 0.22 0.09 0.00 0.00 178.44 179.52 3idp h TYR 647 N 0.71 0.24 -0.75 1.13 3.20 -0.38 0.17 116.97 121.30 3idp h TYR 647 Ca 0.12 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3idp h TYR 647 Cb 0.60 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 3idp h TYR 647 CO 0.03 0.36 0.35 0.93 -1.64 0.00 0.00 178.16 178.19 3idp h GLU 648 N 0.05 0.53 -0.23 1.82 5.08 -0.44 0.14 114.58 121.52 3idp h GLU 648 Ca 0.05 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3idp h GLU 648 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3idp h GLU 648 CO -0.00 0.35 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.16 3idp h LEU 649 N 0.55 0.52 -0.07 1.33 3.38 -0.89 -0.63 115.31 119.50 3idp h LEU 649 Ca 0.39 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3idp h LEU 649 Cb 0.50 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3idp h LEU 649 CO -0.33 0.83 -0.84 0.24 0.09 0.00 0.00 178.44 178.43 3idp h MET 650 N 0.21 0.00 0.00 1.13 2.86 -0.42 -3.30 114.93 115.42 3idp h MET 650 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3idp h MET 650 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3idp h MET 650 CO 0.04 0.84 -1.39 0.25 1.06 0.00 0.00 176.91 177.71 3idp n THR 651 N -3.35 0.00 -0.93 2.22 -2.24 0.43 -3.04 114.28 107.37 3idp n THR 651 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3idp n THR 651 Cb 0.86 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3idp n THR 651 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3idp n GLY 652 N 1.46 0.86 3.33 3.38 0.00 -0.25 -4.96 105.19 109.02 3idp n GLY 652 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3idp n GLY 652 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3idp s GLN 653 N -0.14 1.65 0.28 1.61 -2.07 -1.22 -4.74 119.66 115.02 3idp s GLN 653 Ca 0.00 -1.95 -0.14 0.00 -1.82 0.00 0.00 55.36 51.45 3idp s GLN 653 Cb 0.00 -0.02 -0.08 0.00 -1.09 0.00 0.00 33.01 31.81 3idp s GLN 653 CO 0.00 -0.50 0.67 -0.51 -1.32 0.00 0.00 175.29 173.63 3idp s LEU 654 N -3.39 4.12 0.58 2.60 1.43 -1.26 -4.14 118.68 118.63 3idp s LEU 654 Ca 0.36 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.48 3idp s LEU 654 Cb 0.04 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 3idp s LEU 654 CO 0.19 -0.14 1.04 -2.84 0.23 0.00 0.00 176.35 174.84 3idp s PRO 655 N -2.83 3.43 -1.17 1.29 0.02 -1.26 -4.05 135.00 130.43 3idp s PRO 655 Ca 0.51 1.16 -0.06 0.00 0.02 0.00 0.00 61.00 62.63 3idp s PRO 655 Cb -0.11 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.37 3idp s PRO 655 CO 0.19 -0.71 0.81 0.66 -0.33 0.00 0.00 177.00 177.62 3idp n TYR 656 N -1.95 -2.11 0.42 6.54 4.01 -1.26 -4.89 117.16 117.92 3idp n TYR 656 Ca 0.08 0.70 0.13 0.00 -0.16 0.00 0.00 57.90 58.65 3idp n TYR 656 Cb 0.53 -4.16 0.49 0.00 -0.31 0.00 0.00 39.34 35.88 3idp n TYR 656 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3idp h SER 657 N -1.86 0.00 -0.53 7.72 4.64 -2.02 -2.65 113.55 118.85 3idp h SER 657 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3idp h SER 657 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3idp h SER 657 CO 0.46 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.96 3idp n ASN 658 N -2.42 3.29 -4.17 4.97 6.94 -1.26 -4.78 115.26 117.83 3idp n ASN 658 Ca 0.03 -2.15 -0.33 0.00 -0.02 0.00 0.00 54.58 52.11 3idp n ASN 658 Cb 0.30 -0.43 -0.16 0.00 -2.36 0.00 0.00 39.78 37.13 3idp n ASN 658 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3idp s ILE 659 N -1.48 2.28 -2.54 1.53 1.01 -1.00 -5.02 121.20 115.97 3idp s ILE 659 Ca 0.38 -0.88 0.23 0.00 0.00 0.00 0.00 60.65 60.38 3idp s ILE 659 Cb 0.22 -1.96 0.40 0.00 0.01 0.00 0.00 42.46 41.13 3idp s ILE 659 CO 0.22 0.53 1.40 -0.46 0.00 0.00 0.00 174.94 176.63 3idp n ASN 660 N 4.44 3.29 -4.27 3.58 0.23 -1.26 -4.89 115.26 116.38 3idp n ASN 660 Ca -0.20 -1.98 -0.36 0.00 -0.53 0.00 0.00 54.58 51.51 3idp n ASN 660 Cb 0.51 -0.21 -0.13 0.00 -2.08 0.00 0.00 39.78 37.87 3idp n ASN 660 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3idp s ASN 661 N -1.57 4.76 0.15 0.53 3.84 -1.26 -5.02 114.94 116.37 3idp s ASN 661 Ca 0.37 -0.80 -0.16 0.00 0.21 0.00 0.00 52.86 52.48 3idp s ASN 661 Cb 0.22 -1.78 0.02 0.00 -0.55 0.00 0.00 41.25 39.16 3idp s ASN 661 CO 0.31 -0.17 1.77 0.03 -2.79 0.00 0.00 177.10 176.26 3idp h ARG 662 N 8.12 0.59 -0.93 0.43 3.08 -2.00 -2.32 114.38 121.35 3idp h ARG 662 Ca -0.31 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3idp h ARG 662 Cb 1.12 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 3idp h ARG 662 CO 0.59 0.45 0.60 -0.44 -1.07 0.00 0.00 179.97 180.09 3idp h ASP 663 N 0.57 1.09 -0.55 7.04 3.32 -1.99 -1.88 116.42 124.01 3idp h ASP 663 Ca 0.15 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3idp h ASP 663 Cb 0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3idp h ASP 663 CO -0.03 0.81 0.28 -0.61 -1.72 0.00 0.00 179.24 177.96 3idp h GLN 664 N 1.27 0.79 0.22 3.56 5.75 -1.93 -0.02 115.11 124.74 3idp h GLN 664 Ca 0.34 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 3idp h GLN 664 Cb -0.11 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.29 3idp h GLN 664 CO -0.07 0.64 -0.11 0.82 -2.65 0.00 0.00 178.83 177.46 3idp h ILE 665 N 0.74 0.81 -0.66 2.39 2.04 -1.12 -1.55 117.51 120.16 3idp h ILE 665 Ca 0.19 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 66.07 3idp h ILE 665 Cb 0.10 0.88 -0.11 0.00 -0.74 0.00 0.00 36.82 36.95 3idp h ILE 665 CO -0.03 0.03 -0.02 0.40 0.00 0.00 0.00 178.15 178.53 3idp h ILE 666 N -0.36 0.43 -0.28 -0.67 2.04 -1.15 -0.21 117.51 117.30 3idp h ILE 666 Ca -0.03 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 3idp h ILE 666 Cb 0.27 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3idp h ILE 666 CO 0.05 0.02 -0.40 0.15 0.00 0.00 0.00 178.15 177.96 3idp h PHE 667 N 0.09 0.82 0.17 1.37 3.57 -0.87 -2.42 116.94 119.68 3idp h PHE 667 Ca 0.34 -0.24 -0.34 0.00 3.53 0.00 0.00 57.97 61.27 3idp h PHE 667 Cb 0.57 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.14 3idp h PHE 667 CO -0.41 0.98 -1.67 0.52 -2.23 0.00 0.00 178.31 175.50 3idp h MET 668 N 0.56 0.36 -0.31 1.11 2.86 -0.75 -2.17 114.93 116.59 3idp h MET 668 Ca 0.05 -0.62 -0.02 0.00 -2.06 0.00 0.00 59.70 57.05 3idp h MET 668 Cb 0.94 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3idp h MET 668 CO 0.09 1.26 0.11 0.28 1.06 0.00 0.00 176.91 179.71 3idp h VAL 669 N 0.10 1.19 -0.96 -2.22 2.07 -1.15 0.63 116.25 115.90 3idp h VAL 669 Ca -0.31 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 66.71 3idp h VAL 669 Cb 2.08 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 32.78 3idp h VAL 669 CO 0.18 0.20 0.60 1.23 0.02 0.00 0.00 177.57 179.81 3idp h GLY 670 N 0.35 1.54 0.15 2.17 0.00 -1.47 -1.58 103.07 104.23 3idp h GLY 670 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3idp h GLY 670 CO -0.01 0.20 -0.07 0.54 0.00 0.00 0.00 176.54 177.20 3idp n ARG 671 N -4.62 1.22 -0.96 4.80 5.12 -0.82 -4.87 116.66 116.54 3idp n ARG 671 Ca 0.17 -0.59 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 3idp n ARG 671 Cb 0.30 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 3idp n ARG 671 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3idp n GLY 672 N 1.20 0.58 0.14 -0.13 0.00 -0.59 -4.90 105.19 101.48 3idp n GLY 672 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3idp n GLY 672 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3idp h TYR 673 N 0.00 0.00 -4.17 1.61 0.99 -1.14 -3.44 116.97 110.82 3idp h TYR 673 Ca 0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 3idp h TYR 673 Cb 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 36.73 37.42 3idp h TYR 673 CO 0.00 0.59 -0.86 -1.17 -0.00 0.00 0.00 178.16 176.73 3idp s LEU 674 N -6.83 2.00 0.04 3.88 2.96 -0.66 -4.98 118.68 115.09 3idp s LEU 674 Ca 0.01 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3idp s LEU 674 Cb 0.10 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 3idp s LEU 674 CO 0.75 0.22 0.13 -0.55 -1.32 0.00 0.00 176.35 175.58 3idp s SER 675 N -0.25 0.14 0.47 3.68 0.15 -1.26 -4.21 113.70 112.43 3idp s SER 675 Ca 0.02 -0.51 -0.23 0.00 0.70 0.00 0.00 55.95 55.93 3idp s SER 675 Cb -0.10 0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 64.39 3idp s SER 675 CO 0.01 -0.55 1.25 -2.84 1.20 0.00 0.00 173.24 172.32 3idp s PRO 676 N -2.75 3.62 -0.88 5.44 0.02 -1.26 -4.91 135.00 134.27 3idp s PRO 676 Ca -0.04 2.00 -0.23 0.00 0.02 0.00 0.00 61.00 62.75 3idp s PRO 676 Cb -0.00 -2.44 0.06 0.00 0.02 0.00 0.00 34.50 32.14 3idp s PRO 676 CO -0.05 -0.73 1.28 0.34 -0.33 0.00 0.00 177.00 177.51 3idp s ASP 677 N -1.10 6.39 0.00 2.53 2.15 -1.26 -4.88 116.67 120.50 3idp s ASP 677 Ca 0.64 -1.23 0.18 0.00 0.43 0.00 0.00 52.55 52.58 3idp s ASP 677 Cb -0.34 -2.52 0.88 0.00 -0.30 0.00 0.00 42.92 40.64 3idp s ASP 677 CO 0.42 -1.51 1.56 0.18 -0.17 0.00 0.00 175.17 175.65 3idp n LEU 678 N 8.44 0.00 -0.22 -1.34 4.77 -1.26 -2.61 117.00 124.77 3idp n LEU 678 Ca 0.18 0.35 0.15 0.00 -0.03 0.00 0.00 56.01 56.66 3idp n LEU 678 Cb 0.49 -0.35 0.73 0.00 -2.33 0.00 0.00 43.42 41.96 3idp n LEU 678 CO 0.64 -0.14 0.98 -1.54 -1.33 0.00 0.00 177.39 176.01 3idp n SER 679 N -1.35 0.69 -0.15 -1.43 3.41 -1.26 -3.43 113.62 110.10 3idp n SER 679 Ca 0.07 -1.26 0.13 0.00 -0.26 0.00 0.00 58.87 57.56 3idp n SER 679 Cb 0.17 -0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.58 3idp n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3idp n LYS 680 N -0.45 0.64 -2.28 4.33 5.02 -1.07 -4.90 118.16 119.45 3idp n LYS 680 Ca 0.21 -0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 3idp n LYS 680 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3idp n LYS 680 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3idp s VAL 681 N -2.57 3.57 0.89 -0.18 -7.23 -1.22 -4.64 120.40 109.02 3idp s VAL 681 Ca 0.24 1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 61.43 3idp s VAL 681 Cb 0.19 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.43 3idp s VAL 681 CO 0.52 0.10 0.54 0.54 -0.31 0.00 0.00 175.10 176.50 3idp n ARG 682 N 3.72 -0.15 0.10 4.82 1.74 -1.17 -4.93 116.66 120.79 3idp n ARG 682 Ca 0.10 0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 57.13 3idp n ARG 682 Cb 0.44 -1.93 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3idp n ARG 682 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3idp h SER 683 N -1.31 0.15 0.00 0.55 4.64 -1.94 -3.00 113.55 112.64 3idp h SER 683 Ca -0.44 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3idp h SER 683 Cb 1.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3idp h SER 683 CO 0.37 0.86 0.00 -0.46 -0.87 0.00 0.00 176.83 176.73 3idp n ASN 684 N -3.70 0.00 -4.65 4.97 6.94 -1.26 -4.71 115.26 112.86 3idp n ASN 684 Ca -0.02 -0.81 -0.42 0.00 -0.02 0.00 0.00 54.58 53.31 3idp n ASN 684 Cb 0.74 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.11 3idp n ASN 684 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3idp n PRO 686 N 5.96 2.03 0.16 0.00 -0.02 -1.26 -4.86 135.00 137.02 3idp n PRO 686 Ca 0.06 0.71 0.05 0.00 -2.02 0.00 0.00 63.50 62.30 3idp n PRO 686 Cb 0.47 -2.28 0.49 0.00 -0.02 0.00 0.00 33.50 32.17 3idp n PRO 686 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3idp h LYS 687 N 2.63 0.17 0.00 -0.52 1.57 -1.95 -1.36 116.57 117.11 3idp h LYS 687 Ca -0.45 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.26 3idp h LYS 687 Cb 1.29 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3idp h LYS 687 CO 0.63 0.22 -0.21 0.00 -0.57 0.00 0.00 179.45 179.52 3idp h ALA 688 N 1.80 1.07 -0.00 3.86 0.00 -1.99 -2.12 119.26 121.88 3idp h ALA 688 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3idp h ALA 688 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3idp h ALA 688 CO 0.01 0.27 -0.02 1.98 0.00 0.00 0.00 179.25 181.49 3idp h MET 689 N 0.00 0.02 -0.75 0.00 1.85 -1.61 -2.32 114.93 112.12 3idp h MET 689 Ca -0.00 -0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.17 3idp h MET 689 Cb 0.67 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.65 3idp h MET 689 CO 0.03 0.69 0.49 -0.22 -0.40 0.00 0.00 176.91 177.50 3idp h LYS 690 N -0.65 0.66 0.35 0.39 3.64 -1.44 -0.71 116.57 118.81 3idp h LYS 690 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3idp h LYS 690 Cb 0.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3idp h LYS 690 CO 0.00 0.44 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.36 3idp h ARG 691 N 0.68 -0.46 -0.55 1.90 2.43 -1.41 -2.33 114.38 114.64 3idp h ARG 691 Ca 0.34 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 3idp h ARG 691 Cb 0.43 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 3idp h ARG 691 CO -0.12 -0.20 0.10 1.25 -1.51 0.00 0.00 179.97 179.49 3idp h LEU 692 N -0.67 -0.02 -0.23 3.80 5.85 -0.79 -0.42 115.31 122.83 3idp h LEU 692 Ca -0.05 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3idp h LEU 692 Cb 0.47 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3idp h LEU 692 CO 0.08 0.01 -0.13 -0.03 -0.34 0.00 0.00 178.44 178.02 3idp h MET 693 N 0.24 -0.11 -0.71 1.25 4.05 -1.16 0.82 114.93 119.30 3idp h MET 693 Ca 0.28 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.72 3idp h MET 693 Cb 0.41 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.20 3idp h MET 693 CO -0.38 -0.08 0.47 0.00 0.23 0.00 0.00 176.91 177.15 3idp h ALA 694 N 1.05 1.48 -0.67 0.39 0.00 -0.77 -1.64 119.26 119.10 3idp h ALA 694 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3idp h ALA 694 Cb 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3idp h ALA 694 CO -0.30 0.48 0.12 1.49 0.00 0.00 0.00 179.25 181.04 3idp h GLU 695 N 0.97 1.10 0.00 0.00 4.57 -0.58 -2.70 114.58 117.94 3idp h GLU 695 Ca 0.26 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3idp h GLU 695 Cb -0.10 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.35 3idp h GLU 695 CO -0.06 1.00 -0.17 0.00 -1.18 0.00 0.00 179.01 178.61 3idp n LEU 697 N -3.64 3.73 -4.71 0.00 4.77 -0.68 -3.79 117.00 112.67 3idp n LEU 697 Ca -0.01 -1.77 -0.43 0.00 -0.03 0.00 0.00 56.01 53.77 3idp n LEU 697 Cb 0.29 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3idp n LEU 697 CO 0.32 0.88 1.11 0.29 -1.33 0.00 0.00 177.39 178.66 3idp n LYS 698 N 1.58 2.38 0.13 3.23 4.76 -1.16 -4.90 118.16 124.18 3idp n LYS 698 Ca 0.22 0.84 -0.01 0.00 -2.87 0.00 0.00 58.31 56.50 3idp n LYS 698 Cb 0.61 -2.55 0.23 0.00 -1.84 0.00 0.00 35.03 31.48 3idp n LYS 698 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3idp h LYS 699 N 4.20 0.10 -6.36 1.97 1.57 -1.93 -3.40 116.57 112.71 3idp h LYS 699 Ca -0.46 -0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 57.70 3idp h LYS 699 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 3idp h LYS 699 CO 0.75 0.57 0.95 0.21 -0.57 0.00 0.00 179.45 181.37 3idp s LYS 700 N -3.93 3.92 0.17 3.15 2.20 -1.26 -4.90 119.74 119.09 3idp s LYS 700 Ca -0.03 1.19 -0.28 0.00 -0.36 0.00 0.00 55.97 56.50 3idp s LYS 700 Cb 0.13 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 3idp s LYS 700 CO 0.76 -1.11 1.50 -2.13 -0.36 0.00 0.00 175.35 174.01 3idp n ARG 701 N 7.29 -0.39 0.05 4.03 0.00 -1.26 -2.30 116.66 124.09 3idp n ARG 701 Ca 0.14 1.47 0.12 0.00 -0.00 0.00 0.00 57.85 59.58 3idp n ARG 701 Cb 0.47 -2.17 0.47 0.00 0.00 0.00 0.00 32.46 31.23 3idp n ARG 701 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3idp n ASP 702 N -5.26 0.36 0.25 6.15 8.00 -1.26 -2.44 116.55 122.35 3idp n ASP 702 Ca 0.03 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.23 3idp n ASP 702 Cb 0.28 -0.64 0.48 0.00 -0.02 0.00 0.00 41.12 41.21 3idp n ASP 702 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3idp h GLU 703 N 0.00 0.00 -6.52 -1.24 5.08 -1.84 -3.45 114.58 106.61 3idp h GLU 703 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3idp h GLU 703 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3idp h GLU 703 CO 0.00 0.04 0.57 1.03 -1.00 0.00 0.00 179.01 179.66 3idp s ARG 704 N -3.50 4.43 0.66 2.33 0.52 -1.02 -4.96 118.95 117.41 3idp s ARG 704 Ca 0.03 1.81 -0.17 0.00 -0.52 0.00 0.00 55.73 56.88 3idp s ARG 704 Cb 0.08 -3.32 -0.00 0.00 0.52 0.00 0.00 34.95 32.23 3idp s ARG 704 CO 0.60 -0.24 1.26 -1.25 0.02 0.00 0.00 175.30 175.69 3idp s PRO 705 N 0.84 2.52 0.58 3.54 0.04 -1.26 -5.00 135.00 136.26 3idp s PRO 705 Ca 0.58 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 3idp s PRO 705 Cb -0.31 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.41 3idp s PRO 705 CO 0.30 -1.59 0.84 -0.51 0.04 0.00 0.00 177.00 176.09 3idp s LEU 706 N -4.50 3.22 0.40 -3.56 1.43 -1.26 -4.89 118.68 109.53 3idp s LEU 706 Ca 0.80 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 54.31 3idp s LEU 706 Cb -0.34 -3.14 0.83 0.00 0.03 0.00 0.00 46.19 43.57 3idp s LEU 706 CO 0.40 -1.16 1.99 -0.26 0.23 0.00 0.00 176.35 177.55 3idp h PHE 707 N -0.09 0.37 -0.69 0.29 0.04 -1.96 -1.74 116.94 113.16 3idp h PHE 707 Ca -0.44 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 3idp h PHE 707 Cb 1.28 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.29 3idp h PHE 707 CO 0.40 0.34 0.32 -1.35 -0.60 0.00 0.00 178.31 177.42 3idp h PRO 708 N 0.37 1.00 0.04 1.51 0.11 -1.94 -1.52 132.00 131.58 3idp h PRO 708 Ca 0.09 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.06 3idp h PRO 708 Cb 0.17 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3idp h PRO 708 CO -0.00 0.80 -0.12 1.96 -0.21 0.00 0.00 178.00 180.43 3idp h GLN 709 N 0.96 -0.22 -0.01 1.05 4.20 -1.84 -1.48 115.11 117.78 3idp h GLN 709 Ca 0.23 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.99 3idp h GLN 709 Cb 0.14 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 3idp h GLN 709 CO -0.03 -0.15 -0.32 0.82 -0.67 0.00 0.00 178.83 178.49 3idp h ILE 710 N -0.23 0.31 -0.33 2.54 2.04 -1.20 -0.17 117.51 120.46 3idp h ILE 710 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3idp h ILE 710 Cb 0.26 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 3idp h ILE 710 CO -0.09 0.00 -0.13 0.25 0.00 0.00 0.00 178.15 178.18 3idp h LEU 711 N -0.47 -0.44 -0.41 1.44 5.85 -1.26 0.36 115.31 120.38 3idp h LEU 711 Ca 0.06 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3idp h LEU 711 Cb 0.56 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3idp h LEU 711 CO -0.27 -0.16 -0.03 0.00 -0.34 0.00 0.00 178.44 177.64 3idp h ALA 712 N 1.22 0.35 -0.84 1.25 0.00 -0.83 0.31 119.26 120.71 3idp h ALA 712 Ca 0.17 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3idp h ALA 712 Cb 0.32 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3idp h ALA 712 CO -0.38 -0.41 0.55 0.77 0.00 0.00 0.00 179.25 179.78 3idp h SER 713 N 0.08 0.92 -0.22 0.00 0.02 -0.27 -0.94 113.55 113.13 3idp h SER 713 Ca 0.20 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 3idp h SER 713 Cb 0.29 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 3idp h SER 713 CO -0.36 0.64 -0.27 0.40 -1.14 0.00 0.00 176.83 176.10 3idp h ILE 714 N 1.08 1.32 0.00 3.27 2.04 -0.38 -2.88 117.51 121.96 3idp h ILE 714 Ca 0.33 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3idp h ILE 714 Cb -0.03 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3idp h ILE 714 CO -0.10 0.45 -0.06 -0.33 0.00 0.00 0.00 178.15 178.11 3idp h GLU 715 N 0.26 0.00 0.49 2.37 5.08 -0.82 -0.68 114.58 121.28 3idp h GLU 715 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3idp h GLU 715 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3idp h GLU 715 CO 0.06 0.06 -0.23 1.25 -1.00 0.00 0.00 179.01 179.15 3idp h LEU 716 N 0.00 -0.55 -1.39 1.33 5.85 -0.98 -3.32 115.31 116.25 3idp h LEU 716 Ca -0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3idp h LEU 716 Cb 0.32 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3idp h LEU 716 CO 0.01 -0.14 -0.31 0.17 -0.34 0.00 0.00 178.44 177.83 3idp h LEU 717 N -1.15 0.00 -0.39 2.25 8.10 -1.47 -2.91 115.31 119.74 3idp h LEU 717 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.92 3idp h LEU 717 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 3idp h LEU 717 CO 0.11 0.31 0.25 0.00 -4.11 0.00 0.00 178.44 175.00 3idp n ALA 718 N -2.47 0.60 0.08 0.17 0.00 -0.27 -0.43 120.51 118.20 3idp n ALA 718 Ca -0.02 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 3idp n ALA 718 Cb 0.36 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 3idp n ALA 718 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3idp h ARG 719 N 0.00 0.30 -0.00 0.00 3.08 -1.67 -3.51 114.38 112.59 3idp h ARG 719 Ca 0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3idp h ARG 719 Cb 0.50 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3idp h ARG 719 CO 0.00 1.19 0.00 0.43 -1.07 0.00 0.00 179.97 180.52