#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wey s MET 448 N 0.00 4.62 0.04 -1.40 1.00 -1.26 -5.06 119.30 117.23 2wey s MET 448 Ca 0.00 1.72 0.05 0.00 0.00 0.00 0.00 55.69 57.46 2wey s MET 448 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 34.83 31.67 2wey s MET 448 CO 0.00 0.22 -0.10 -1.12 0.00 0.00 0.00 175.02 174.01 2wey s SER 449 N -1.01 4.38 0.51 3.03 0.01 -1.26 -5.14 113.70 114.22 2wey s SER 449 Ca 0.46 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.48 2wey s SER 449 Cb -0.30 -0.91 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 2wey s SER 449 CO 0.38 0.25 0.18 0.27 0.41 0.00 0.00 173.24 174.73 2wey s ILE 450 N -1.04 1.53 0.00 1.44 -4.36 -1.26 -4.84 121.20 112.67 2wey s ILE 450 Ca 0.18 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2wey s ILE 450 Cb -0.11 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 2wey s ILE 450 CO 0.09 0.00 -0.04 0.00 0.24 0.00 0.00 174.94 175.23 2wey s THR 452 N -1.04 2.62 0.60 0.00 -4.23 -1.26 -4.90 115.64 107.43 2wey s THR 452 Ca 0.18 0.48 0.30 0.00 -1.18 0.00 0.00 61.69 61.47 2wey s THR 452 Cb -0.11 -3.25 0.36 0.00 1.34 0.00 0.00 72.50 70.84 2wey s THR 452 CO 0.09 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.09 2wey h SER 453 N 1.86 0.00 -0.45 3.99 4.64 -2.00 0.86 113.55 122.46 2wey h SER 453 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2wey h SER 453 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 2wey h SER 453 CO 0.59 0.00 0.27 -0.33 -0.87 0.00 0.00 176.83 176.49 2wey h GLU 454 N 0.00 0.63 -0.02 4.77 3.07 -2.00 -2.18 114.58 118.86 2wey h GLU 454 Ca 0.06 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2wey h GLU 454 Cb 0.34 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2wey h GLU 454 CO -0.00 0.45 -0.37 0.93 -1.40 0.00 0.00 179.01 178.63 2wey h GLU 455 N 0.64 0.28 0.00 2.33 5.08 -1.18 -2.58 114.58 119.16 2wey h GLU 455 Ca 0.17 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wey h GLU 455 Cb -0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2wey h GLU 455 CO -0.03 0.97 0.00 0.11 -1.00 0.00 0.00 179.01 179.06 2wey h TRP 456 N -0.29 0.00 -0.01 4.33 5.08 -1.52 -2.84 115.95 120.69 2wey h TRP 456 Ca -0.04 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.86 2wey h TRP 456 Cb 1.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 2wey h TRP 456 CO 0.16 0.00 -0.26 1.96 -1.28 0.00 0.00 178.44 179.02 2wey h GLN 457 N 0.00 0.19 -0.82 0.12 4.20 -1.43 -2.56 115.11 114.81 2wey h GLN 457 Ca 0.00 -0.19 0.19 0.00 0.06 0.00 0.00 58.65 58.70 2wey h GLN 457 Cb 0.52 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 2wey h GLN 457 CO 0.00 0.91 0.55 0.78 -0.67 0.00 0.00 178.83 180.40 2wey h GLY 458 N -0.46 0.63 0.29 3.46 0.00 -1.30 -2.22 103.07 103.48 2wey h GLY 458 Ca -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2wey h GLY 458 CO 0.05 0.02 -0.01 -2.00 0.00 0.00 0.00 176.54 174.60 2wey h LEU 459 N 0.33 -0.02 -0.19 3.11 5.85 -1.56 -3.11 115.31 119.71 2wey h LEU 459 Ca 0.41 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2wey h LEU 459 Cb 1.11 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2wey h LEU 459 CO -0.12 0.67 0.14 0.23 -0.34 0.00 0.00 178.44 179.02 2wey n MET 460 N -4.77 0.02 -0.01 1.25 2.81 -0.84 -1.71 117.12 113.87 2wey n MET 460 Ca -0.09 0.41 0.02 0.00 -1.81 0.00 0.00 57.70 56.24 2wey n MET 460 Cb 0.34 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.11 2wey n MET 460 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2wey n GLN 461 N -1.51 0.55 -2.02 0.03 6.02 -1.17 -5.05 117.38 114.23 2wey n GLN 461 Ca -0.00 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 2wey n GLN 461 Cb 0.14 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 2wey n GLN 461 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2wey s PHE 462 N -2.35 2.96 -0.01 1.08 5.36 -0.70 -5.04 117.98 119.28 2wey s PHE 462 Ca -0.02 1.21 0.06 0.00 -0.96 0.00 0.00 56.93 57.22 2wey s PHE 462 Cb 0.03 -3.80 -0.02 0.00 -0.34 0.00 0.00 43.02 38.90 2wey s PHE 462 CO 0.22 -2.40 -0.20 0.99 -1.46 0.00 0.00 175.22 172.38 2wey s THR 463 N -0.65 1.55 0.17 0.12 2.01 -1.26 -5.04 115.64 112.53 2wey s THR 463 Ca 0.54 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 2wey s THR 463 Cb -0.42 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 2wey s THR 463 CO 0.51 0.43 1.33 -0.22 -0.69 0.00 0.00 174.62 175.98 2wey s LEU 464 N -0.47 4.40 0.49 4.42 2.96 -1.26 -5.00 118.68 124.22 2wey s LEU 464 Ca 0.08 2.36 -0.23 0.00 -0.22 0.00 0.00 54.13 56.12 2wey s LEU 464 Cb -0.08 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 2wey s LEU 464 CO -0.01 -0.57 1.14 -2.65 -1.32 0.00 0.00 176.35 172.95 2wey n PRO 465 N 3.10 1.49 -0.05 0.98 -0.02 -1.26 -4.94 135.00 134.30 2wey n PRO 465 Ca 0.08 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 2wey n PRO 465 Cb 0.43 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2wey n PRO 465 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wey h VAL 466 N 1.44 1.29 -0.13 -1.45 2.07 -2.02 -2.91 116.25 114.54 2wey h VAL 466 Ca -0.48 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.43 2wey h VAL 466 Cb 1.32 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2wey h VAL 466 CO 0.56 0.53 0.34 0.08 0.02 0.00 0.00 177.57 179.10 2wey h ARG 467 N 0.59 0.00 -0.57 1.57 0.11 -2.05 0.49 114.38 114.52 2wey h ARG 467 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2wey h ARG 467 Cb 1.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2wey h ARG 467 CO 0.10 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.45 2wey n LEU 468 N -3.20 3.57 0.12 0.08 4.77 -1.10 -4.15 117.00 117.09 2wey n LEU 468 Ca 0.01 -1.92 -0.02 0.00 -0.03 0.00 0.00 56.01 54.05 2wey n LEU 468 Cb 0.43 -0.38 0.19 0.00 -2.33 0.00 0.00 43.42 41.32 2wey n LEU 468 CO 0.19 0.88 0.54 0.00 -1.33 0.00 0.00 177.39 177.66 2wey h LYS 470 N 0.08 0.06 -0.53 0.00 3.64 -1.73 -3.38 116.57 114.71 2wey h LYS 470 Ca -0.00 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2wey h LYS 470 Cb 1.01 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 2wey h LYS 470 CO 0.08 1.05 0.26 0.93 -2.27 0.00 0.00 179.45 179.49 2wey h GLU 471 N -0.84 0.48 -0.00 1.90 4.39 -1.73 -3.07 114.58 115.71 2wey h GLU 471 Ca -0.21 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2wey h GLU 471 Cb 1.30 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2wey h GLU 471 CO -0.07 0.32 0.12 0.97 -1.16 0.00 0.00 179.01 179.19 2wey h ILE 472 N 0.49 0.00 0.00 3.13 2.10 -1.70 -1.20 117.51 120.33 2wey h ILE 472 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.18 2wey h ILE 472 Cb 0.17 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 2wey h ILE 472 CO -0.18 0.00 -0.06 -0.33 -1.08 0.00 0.00 178.15 176.50 2wey h GLU 473 N 0.00 0.00 -6.84 2.19 4.39 -1.74 -3.46 114.58 109.12 2wey h GLU 473 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2wey h GLU 473 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2wey h GLU 473 CO -0.00 0.00 0.40 -0.51 -1.16 0.00 0.00 179.01 177.74 2wey s LEU 474 N -4.86 4.45 0.16 1.33 1.43 -0.46 -4.90 118.68 115.83 2wey s LEU 474 Ca 0.09 2.05 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 2wey s LEU 474 Cb 0.11 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.54 2wey s LEU 474 CO 0.62 -0.12 1.79 -0.26 0.23 0.00 0.00 176.35 178.62 2wey h PHE 475 N 3.50 0.60 0.00 0.29 -1.00 -1.88 -2.71 116.94 115.74 2wey h PHE 475 Ca -0.47 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 2wey h PHE 475 Cb 1.20 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.57 2wey h PHE 475 CO 0.60 0.42 0.00 -2.39 -1.61 0.00 0.00 178.31 175.33 2wey n HIS 476 N -4.73 0.00 -1.70 -0.55 1.44 -1.26 -4.87 115.22 103.55 2wey n HIS 476 Ca 0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.30 2wey n HIS 476 Cb 0.05 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.13 2wey n HIS 476 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2wey n PHE 477 N -0.51 2.64 -3.33 -1.40 7.35 -1.03 -4.49 117.46 116.69 2wey n PHE 477 Ca 0.01 -0.08 -0.39 0.00 -0.76 0.00 0.00 57.45 56.22 2wey n PHE 477 Cb 0.00 -2.71 -0.08 0.00 0.35 0.00 0.00 39.48 37.04 2wey n PHE 477 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wey s ASP 478 N 2.30 6.37 0.00 -2.13 3.68 -1.26 -4.94 116.67 120.68 2wey s ASP 478 Ca 0.80 0.43 0.30 0.00 2.13 0.00 0.00 52.55 56.21 2wey s ASP 478 Cb -0.50 -2.24 1.40 0.00 -1.45 0.00 0.00 42.92 40.12 2wey s ASP 478 CO 0.36 -0.20 1.97 2.30 0.13 0.00 0.00 175.17 179.74 2wey n ILE 479 N 4.94 0.00 0.00 4.11 -5.35 -1.26 -4.72 119.36 117.08 2wey n ILE 479 Ca -0.07 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2wey n ILE 479 Cb 0.50 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 2wey n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wey n GLY 480 N 1.28 -3.48 0.01 3.28 0.00 -1.26 -3.18 105.19 101.85 2wey n GLY 480 Ca 0.14 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2wey n GLY 480 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wey n PRO 481 N -1.52 0.07 -2.55 1.61 -0.02 -1.26 -3.66 135.00 127.67 2wey n PRO 481 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 2wey n PRO 481 Cb 0.00 -1.00 0.02 0.00 -0.02 0.00 0.00 33.50 32.49 2wey n PRO 481 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wey n PHE 482 N -0.48 2.35 -0.28 6.00 3.01 -1.19 -4.96 117.46 121.92 2wey n PHE 482 Ca 0.00 -2.91 0.06 0.00 1.01 0.00 0.00 57.45 55.62 2wey n PHE 482 Cb 0.00 -0.22 0.17 0.00 -0.01 0.00 0.00 39.48 39.42 2wey n PHE 482 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wey h GLU 483 N 2.74 0.07 -0.37 -1.08 4.81 -1.80 -0.45 114.58 118.50 2wey h GLU 483 Ca 0.12 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2wey h GLU 483 Cb 1.07 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2wey h GLU 483 CO 0.67 0.05 0.25 -0.91 -0.73 0.00 0.00 179.01 178.34 2wey h ASN 484 N 0.08 0.34 1.35 1.04 2.35 -1.94 -2.92 115.58 115.87 2wey h ASN 484 Ca 0.44 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2wey h ASN 484 Cb 0.79 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2wey h ASN 484 CO -0.73 0.24 -0.33 0.24 -1.65 0.00 0.00 177.43 175.20 2wey h MET 485 N 0.40 0.00 -0.81 0.81 2.86 -1.49 -3.39 114.93 113.31 2wey h MET 485 Ca 0.15 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.96 2wey h MET 485 Cb 0.10 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.61 2wey h MET 485 CO -0.03 0.00 -0.14 -1.49 1.06 0.00 0.00 176.91 176.31 2wey h TRP 486 N 0.00 -0.32 -0.67 -0.22 6.55 -1.46 0.55 115.95 120.38 2wey h TRP 486 Ca 0.00 0.07 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 2wey h TRP 486 Cb 0.84 0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 29.38 2wey h TRP 486 CO 0.00 -0.33 0.20 -1.35 -1.05 0.00 0.00 178.44 175.91 2wey h PRO 487 N 0.02 1.03 0.19 0.49 0.11 -1.83 -2.23 132.00 129.77 2wey h PRO 487 Ca 0.41 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 2wey h PRO 487 Cb 0.67 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2wey h PRO 487 CO -0.80 0.89 -0.09 0.78 -0.21 0.00 0.00 178.00 178.57 2wey h GLY 488 N 1.07 -0.26 -0.18 -0.55 0.00 -0.41 -2.78 103.07 99.95 2wey h GLY 488 Ca 0.22 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.74 2wey h GLY 488 CO -0.01 -0.09 -0.25 -2.22 0.00 0.00 0.00 176.54 173.96 2wey h ILE 489 N -0.33 0.30 -0.96 2.60 2.04 -0.20 0.25 117.51 121.22 2wey h ILE 489 Ca -0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.00 2wey h ILE 489 Cb 0.26 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.54 2wey h ILE 489 CO 0.04 0.00 0.56 0.15 0.00 0.00 0.00 178.15 178.90 2wey h PHE 490 N -0.15 0.99 0.10 1.37 3.57 -1.28 -0.81 116.94 120.74 2wey h PHE 490 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 2wey h PHE 490 Cb 0.50 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wey h PHE 490 CO -0.52 0.26 -0.05 0.28 -2.23 0.00 0.00 178.31 176.05 2wey h VAL 491 N 0.77 1.03 -0.52 1.41 2.07 -0.73 -1.88 116.25 118.39 2wey h VAL 491 Ca 0.53 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2wey h VAL 491 Cb 0.75 1.35 -0.11 0.00 -1.52 0.00 0.00 31.29 31.76 2wey h VAL 491 CO -0.36 0.12 -0.33 0.22 0.02 0.00 0.00 177.57 177.24 2wey h TYR 492 N -0.37 -0.92 -0.73 1.57 3.20 -0.31 0.25 116.97 119.66 2wey h TYR 492 Ca -0.01 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2wey h TYR 492 Cb 0.30 0.48 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 2wey h TYR 492 CO 0.00 -0.38 0.41 0.52 -1.64 0.00 0.00 178.16 177.07 2wey h MET 493 N -0.20 0.71 -0.71 1.82 2.86 -1.00 0.15 114.93 118.57 2wey h MET 493 Ca 0.21 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2wey h MET 493 Cb 0.55 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2wey h MET 493 CO -0.63 0.47 0.17 0.28 1.06 0.00 0.00 176.91 178.26 2wey h VAL 494 N 0.73 1.26 -0.77 -2.22 2.07 -0.55 -1.32 116.25 115.45 2wey h VAL 494 Ca 0.33 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2wey h VAL 494 Cb 0.24 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2wey h VAL 494 CO -0.20 0.38 0.34 0.45 0.02 0.00 0.00 177.57 178.56 2wey h HIS 495 N 1.08 1.13 0.10 1.57 -0.00 0.16 -0.38 115.15 118.81 2wey h HIS 495 Ca 0.22 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.37 60.33 2wey h HIS 495 Cb 0.38 -0.35 0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2wey h HIS 495 CO 0.03 0.83 -0.86 0.00 -0.00 0.00 0.00 177.93 177.93 2wey h ARG 496 N 1.11 0.40 -0.04 2.45 2.47 -0.68 -0.99 114.38 119.10 2wey h ARG 496 Ca 0.26 -0.57 -0.15 0.00 -1.26 0.00 0.00 59.98 58.27 2wey h ARG 496 Cb 0.15 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2wey h ARG 496 CO -0.03 1.24 -0.65 0.77 0.56 0.00 0.00 179.97 181.86 2wey h SER 497 N -0.15 0.19 0.00 7.04 0.02 -1.21 -3.39 113.55 116.05 2wey h SER 497 Ca -0.14 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2wey h SER 497 Cb 1.62 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2wey h SER 497 CO 0.16 0.78 -1.15 0.00 -1.14 0.00 0.00 176.83 175.48 2wey n GLY 499 N 3.19 3.30 0.28 0.00 0.00 -0.38 -4.76 105.19 106.82 2wey n GLY 499 Ca -0.05 -1.70 0.16 0.00 0.00 0.00 0.00 46.02 44.43 2wey n GLY 499 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wey h THR 500 N 0.00 0.34 0.00 2.61 1.35 -1.88 -2.88 112.91 112.44 2wey h THR 500 Ca 0.00 -0.44 -0.12 0.00 -0.55 0.00 0.00 66.41 65.30 2wey h THR 500 Cb 0.00 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2wey h THR 500 CO 0.00 0.07 -0.73 0.77 -0.25 0.00 0.00 175.52 175.38 2wey h SER 501 N 0.00 0.00 -0.55 5.36 4.64 -1.94 -3.37 113.55 117.68 2wey h SER 501 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2wey h SER 501 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2wey h SER 501 CO 0.01 0.51 0.26 0.00 -0.87 0.00 0.00 176.83 176.74 2wey s PHE 503 N -5.44 2.37 -0.31 0.00 0.08 -1.26 -5.04 117.98 108.39 2wey s PHE 503 Ca -0.10 -0.40 -0.28 0.00 0.12 0.00 0.00 56.93 56.26 2wey s PHE 503 Cb 0.16 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 2wey s PHE 503 CO 0.79 0.00 1.78 -1.21 -0.10 0.00 0.00 175.22 176.48 2wey s GLU 504 N -0.69 3.41 0.33 0.44 2.02 -1.26 -4.87 118.70 118.07 2wey s GLU 504 Ca 0.10 1.49 0.11 0.00 0.02 0.00 0.00 54.97 56.69 2wey s GLU 504 Cb -0.10 -4.17 0.95 0.00 0.10 0.00 0.00 34.13 30.91 2wey s GLU 504 CO -0.00 -1.76 1.71 1.25 0.02 0.00 0.00 175.26 176.47 2wey h LEU 505 N 13.35 0.62 0.32 1.80 5.85 -1.95 0.29 115.31 135.59 2wey h LEU 505 Ca -0.34 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2wey h LEU 505 Cb 1.17 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2wey h LEU 505 CO 1.02 0.03 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.92 2wey h GLU 506 N 0.50 -0.41 -0.33 1.25 4.81 -1.96 -0.93 114.58 117.51 2wey h GLU 506 Ca 0.67 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 60.00 2wey h GLU 506 Cb 1.37 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.78 2wey h GLU 506 CO -0.51 -0.18 -0.10 0.87 -0.73 0.00 0.00 179.01 178.36 2wey h LYS 507 N -0.57 -0.03 -0.02 1.92 1.79 -1.29 -2.25 116.57 116.12 2wey h LYS 507 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2wey h LYS 507 Cb 0.42 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2wey h LYS 507 CO 0.07 -0.02 0.01 1.25 -1.08 0.00 0.00 179.45 179.69 2wey h LEU 508 N -0.03 0.03 -1.69 2.94 5.85 -0.94 -0.66 115.31 120.80 2wey h LEU 508 Ca 0.16 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2wey h LEU 508 Cb 0.28 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wey h LEU 508 CO -0.36 0.04 0.01 0.00 -0.34 0.00 0.00 178.44 177.79 2wey h ARG 510 N 0.20 -0.59 -0.97 0.00 2.43 -1.03 -2.85 114.38 111.57 2wey h ARG 510 Ca 0.05 0.04 0.31 0.00 -0.81 0.00 0.00 59.98 59.57 2wey h ARG 510 Cb 0.13 0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 29.65 2wey h ARG 510 CO 0.00 -0.40 0.27 0.35 -1.51 0.00 0.00 179.97 178.69 2wey h PHE 511 N -0.78 0.38 0.24 2.20 3.57 -0.75 -1.91 116.94 119.88 2wey h PHE 511 Ca -0.06 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2wey h PHE 511 Cb 0.47 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2wey h PHE 511 CO 0.06 -0.37 -0.11 0.82 -2.23 0.00 0.00 178.31 176.48 2wey h ILE 512 N 0.08 0.69 -0.06 1.41 2.04 -1.34 -2.80 117.51 117.54 2wey h ILE 512 Ca 0.67 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2wey h ILE 512 Cb 1.52 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2wey h ILE 512 CO -0.79 0.16 0.00 0.24 0.00 0.00 0.00 178.15 177.77 2wey h MET 513 N -0.87 0.08 -0.07 2.37 2.86 -1.19 0.41 114.93 118.53 2wey h MET 513 Ca -0.03 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2wey h MET 513 Cb 0.51 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2wey h MET 513 CO 0.05 0.09 -0.55 0.77 1.06 0.00 0.00 176.91 178.34 2wey h SER 514 N 0.08 0.21 -0.31 1.22 0.02 -1.43 -2.93 113.55 110.42 2wey h SER 514 Ca 0.02 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 2wey h SER 514 Cb 0.06 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2wey h SER 514 CO 0.00 0.72 -0.17 0.58 -1.14 0.00 0.00 176.83 176.82 2wey h VAL 515 N 0.15 1.29 -0.98 2.27 2.07 -0.69 -2.66 116.25 117.70 2wey h VAL 515 Ca 0.00 -1.29 0.27 0.00 0.82 0.00 0.00 66.70 66.50 2wey h VAL 515 Cb 1.01 1.46 -0.13 0.00 -1.52 0.00 0.00 31.29 32.10 2wey h VAL 515 CO 0.08 0.41 0.54 0.50 0.02 0.00 0.00 177.57 179.13 2wey h LYS 516 N 0.43 0.44 -0.24 1.57 3.64 -1.11 0.12 116.57 121.40 2wey h LYS 516 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wey h LYS 516 Cb 0.71 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2wey h LYS 516 CO 0.05 0.29 0.00 1.63 -2.27 0.00 0.00 179.45 179.15 2wey n LYS 517 N -4.98 1.69 -0.01 1.90 5.02 -1.03 -3.25 118.16 117.50 2wey n LYS 517 Ca 0.28 -1.06 0.03 0.00 -2.02 0.00 0.00 58.31 55.53 2wey n LYS 517 Cb 0.81 -1.30 0.03 0.00 -0.02 0.00 0.00 35.03 34.55 2wey n LYS 517 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wey n ASN 518 N 0.32 1.54 -4.88 4.39 3.02 0.39 -4.80 115.26 115.24 2wey n ASN 518 Ca 0.13 -1.30 -0.30 0.00 -0.03 0.00 0.00 54.58 53.08 2wey n ASN 518 Cb 0.28 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 2wey n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wey s TYR 519 N -0.49 3.47 0.49 3.10 1.51 -1.06 -1.42 117.35 122.95 2wey s TYR 519 Ca 0.06 1.01 0.08 0.00 -1.01 0.00 0.00 57.07 57.21 2wey s TYR 519 Cb 0.04 -2.41 0.03 0.00 -0.11 0.00 0.00 41.96 39.52 2wey s TYR 519 CO 0.06 -0.06 0.57 1.03 -1.11 0.00 0.00 175.55 176.04 2wey s ARG 520 N -3.77 2.51 -0.77 -0.62 0.52 -1.26 -4.92 118.95 110.63 2wey s ARG 520 Ca 0.51 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.13 2wey s ARG 520 Cb -0.10 -2.53 0.26 0.00 0.52 0.00 0.00 34.95 33.09 2wey s ARG 520 CO 0.30 -0.49 2.23 0.54 0.02 0.00 0.00 175.30 177.90 2wey n ARG 521 N -1.89 2.94 -2.28 3.54 1.74 -1.26 -4.38 116.66 115.08 2wey n ARG 521 Ca 0.08 -3.29 -0.29 0.00 -0.77 0.00 0.00 57.85 53.58 2wey n ARG 521 Cb 0.61 -2.26 0.01 0.00 -1.02 0.00 0.00 32.46 29.79 2wey n ARG 521 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2wey s VAL 522 N -4.11 4.74 0.17 1.55 -7.23 -1.26 -5.03 120.40 109.23 2wey s VAL 522 Ca 0.53 0.49 -0.14 0.00 -1.81 0.00 0.00 61.98 61.05 2wey s VAL 522 Cb 0.40 -3.84 0.07 0.00 0.56 0.00 0.00 36.38 33.56 2wey s VAL 522 CO -0.33 -0.96 1.83 -0.65 -0.31 0.00 0.00 175.10 174.68 2wey h PRO 523 N -0.05 0.72 0.00 4.82 0.11 -1.92 -3.39 132.00 132.28 2wey h PRO 523 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wey h PRO 523 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2wey h PRO 523 CO 0.62 0.49 -0.08 0.98 -0.21 0.00 0.00 178.00 179.79 2wey n TYR 524 N -4.70 0.00 -0.30 0.65 9.36 -1.24 -4.75 117.16 116.18 2wey n TYR 524 Ca 0.03 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.18 2wey n TYR 524 Cb 0.03 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.67 2wey n TYR 524 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2wey n HIS 525 N -2.72 0.31 -3.72 2.98 8.25 -1.26 -4.29 115.22 114.78 2wey n HIS 525 Ca -0.01 -0.78 -0.04 0.00 -0.26 0.00 0.00 57.72 56.62 2wey n HIS 525 Cb 0.04 -0.91 -0.00 0.00 1.12 0.00 0.00 29.99 30.24 2wey n HIS 525 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2wey n ASN 526 N 3.74 1.55 -0.35 0.41 0.23 -1.26 -4.62 115.26 114.96 2wey n ASN 526 Ca 0.16 -1.32 0.07 0.00 -0.53 0.00 0.00 54.58 52.96 2wey n ASN 526 Cb 0.15 0.01 0.25 0.00 -2.08 0.00 0.00 39.78 38.11 2wey n ASN 526 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2wey h TRP 527 N 0.67 1.11 0.42 -2.53 2.91 -1.86 -2.47 115.95 114.20 2wey h TRP 527 Ca -0.06 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 2wey h TRP 527 Cb 0.20 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 2wey h TRP 527 CO 0.00 0.48 -0.48 -0.22 -1.03 0.00 0.00 178.44 177.19 2wey h LYS 528 N 1.00 -0.88 -0.91 2.65 3.64 -1.96 -1.99 116.57 118.12 2wey h LYS 528 Ca 0.47 0.06 0.26 0.00 -1.27 0.00 0.00 60.65 60.16 2wey h LYS 528 Cb 0.43 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 32.30 2wey h LYS 528 CO -0.23 -0.59 0.33 1.25 -2.27 0.00 0.00 179.45 177.94 2wey h HIS 529 N -0.91 0.51 -0.41 1.91 2.76 -1.66 -1.06 115.15 116.29 2wey h HIS 529 Ca -0.05 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2wey h HIS 529 Cb 0.80 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 2wey h HIS 529 CO -0.27 -0.19 0.24 0.00 -1.30 0.00 0.00 177.93 176.41 2wey h ALA 530 N 1.80 1.66 0.10 5.26 0.00 -0.92 -2.44 119.26 124.72 2wey h ALA 530 Ca 0.60 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 55.14 2wey h ALA 530 Cb 1.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2wey h ALA 530 CO -0.64 0.30 -1.65 0.28 0.00 0.00 0.00 179.25 177.54 2wey h VAL 531 N 0.56 1.00 -0.28 0.00 2.07 -0.95 -3.06 116.25 115.59 2wey h VAL 531 Ca 0.15 -2.69 0.07 0.00 0.82 0.00 0.00 66.70 65.05 2wey h VAL 531 Cb -0.02 2.66 -0.08 0.00 -1.52 0.00 0.00 31.29 32.34 2wey h VAL 531 CO -0.03 0.78 -0.27 0.74 0.02 0.00 0.00 177.57 178.81 2wey h THR 532 N 0.06 0.33 0.00 2.57 2.02 -1.24 0.22 112.91 116.87 2wey h THR 532 Ca -0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2wey h THR 532 Cb 2.02 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2wey h THR 532 CO 0.14 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.54 2wey h VAL 533 N -0.26 1.02 0.01 3.16 2.07 -1.53 -0.76 116.25 119.96 2wey h VAL 533 Ca 0.15 -0.22 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 2wey h VAL 533 Cb 0.50 1.12 0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2wey h VAL 533 CO -0.43 0.06 -0.87 0.00 0.02 0.00 0.00 177.57 176.34 2wey h ALA 534 N 1.94 0.09 -0.64 1.67 0.00 -1.25 -3.01 119.26 118.06 2wey h ALA 534 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2wey h ALA 534 Cb 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wey h ALA 534 CO 0.01 0.54 0.32 1.25 0.00 0.00 0.00 179.25 181.37 2wey h HIS 535 N 0.17 0.91 -0.45 0.00 6.17 0.34 -0.98 115.15 121.30 2wey h HIS 535 Ca -0.11 -0.04 -0.01 0.00 0.71 0.00 0.00 60.37 60.92 2wey h HIS 535 Cb 1.56 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 31.18 2wey h HIS 535 CO 0.12 0.68 0.25 0.00 0.71 0.00 0.00 177.93 179.69 2wey h MET 537 N 0.59 0.54 0.82 0.00 -1.53 -1.34 0.52 114.93 114.53 2wey h MET 537 Ca 0.16 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.35 2wey h MET 537 Cb 0.04 -0.12 0.01 0.00 -0.55 0.00 0.00 31.60 30.98 2wey h MET 537 CO -0.03 0.36 -0.40 -0.92 0.14 0.00 0.00 176.91 176.06 2wey h TYR 538 N 0.55 -1.03 -0.97 1.39 3.20 -0.33 0.27 116.97 120.06 2wey h TYR 538 Ca 0.15 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.11 2wey h TYR 538 Cb -0.05 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.48 2wey h TYR 538 CO -0.00 -0.63 0.60 0.00 -1.64 0.00 0.00 178.16 176.48 2wey h ALA 539 N -0.98 1.44 -0.41 1.82 0.00 -0.73 0.20 119.26 120.60 2wey h ALA 539 Ca -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2wey h ALA 539 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2wey h ALA 539 CO 0.19 0.21 0.05 0.82 0.00 0.00 0.00 179.25 180.51 2wey h ILE 540 N 0.96 1.20 0.04 0.00 2.04 -0.77 -3.05 117.51 117.93 2wey h ILE 540 Ca 0.47 -0.78 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 2wey h ILE 540 Cb 0.45 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2wey h ILE 540 CO -0.26 0.28 -1.03 -0.07 0.00 0.00 0.00 178.15 177.07 2wey h LEU 541 N 0.60 0.18 0.67 1.44 3.38 0.15 -3.25 115.31 118.47 2wey h LEU 541 Ca 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2wey h LEU 541 Cb 0.31 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2wey h LEU 541 CO 0.01 1.09 -0.32 1.56 0.09 0.00 0.00 178.44 180.86 2wey h GLN 542 N 0.05 -0.87 0.00 1.13 1.08 -0.83 -2.61 115.11 113.06 2wey h GLN 542 Ca -0.05 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2wey h GLN 542 Cb 1.74 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2wey h GLN 542 CO 0.15 -0.54 0.00 0.09 -0.95 0.00 0.00 178.83 177.58 2wey n ASN 543 N -5.42 0.00 -2.02 1.46 3.02 -1.16 -2.54 115.26 108.60 2wey n ASN 543 Ca -0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2wey n ASN 543 Cb 0.38 -0.18 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 2wey n ASN 543 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wey n ASN 544 N -1.18 1.61 -0.29 6.41 3.02 -1.15 -4.83 115.26 118.86 2wey n ASN 544 Ca 0.05 -2.31 -0.01 0.00 -0.03 0.00 0.00 54.58 52.29 2wey n ASN 544 Cb 0.06 -0.40 0.12 0.00 -0.61 0.00 0.00 39.78 38.95 2wey n ASN 544 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2wey h HIS 545 N 1.76 0.91 0.00 3.10 2.76 -1.18 -2.34 115.15 120.16 2wey h HIS 545 Ca -0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2wey h HIS 545 Cb 1.54 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2wey h HIS 545 CO 0.41 0.48 0.00 0.25 -1.30 0.00 0.00 177.93 177.77 2wey n THR 546 N -4.65 0.45 0.81 6.26 -2.24 -1.26 -3.12 114.28 110.53 2wey n THR 546 Ca 0.11 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 2wey n THR 546 Cb 0.15 -0.73 0.09 0.00 -2.10 0.00 0.00 70.33 67.74 2wey n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wey n LEU 547 N -1.47 0.64 -4.11 3.22 4.32 -0.88 -4.87 117.00 113.85 2wey n LEU 547 Ca 0.06 -0.08 -0.30 0.00 -0.02 0.00 0.00 56.01 55.67 2wey n LEU 547 Cb 0.25 -0.14 -0.17 0.00 -1.62 0.00 0.00 43.42 41.74 2wey n LEU 547 CO 0.20 0.10 -0.52 -0.36 -1.22 0.00 0.00 177.39 175.60 2wey s PHE 548 N -3.09 2.26 1.06 -1.77 0.40 -1.18 -5.13 117.98 110.53 2wey s PHE 548 Ca 0.07 -1.07 -0.12 0.00 -0.60 0.00 0.00 56.93 55.21 2wey s PHE 548 Cb 0.16 -1.58 0.22 0.00 0.51 0.00 0.00 43.02 42.33 2wey s PHE 548 CO 0.77 -0.51 1.01 0.25 0.70 0.00 0.00 175.22 177.44 2wey n THR 549 N 4.07 0.00 -0.01 0.64 -2.24 -1.26 -4.78 114.28 110.70 2wey n THR 549 Ca -0.20 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 2wey n THR 549 Cb 0.52 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.73 2wey n THR 549 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wey h ASP 550 N -2.32 0.15 -0.80 3.42 5.19 -1.98 -2.50 116.42 117.57 2wey h ASP 550 Ca -0.53 -0.00 0.05 0.00 -0.62 0.00 0.00 57.03 55.92 2wey h ASP 550 Cb 1.31 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 2wey h ASP 550 CO 0.45 0.11 0.53 0.25 -3.12 0.00 0.00 179.24 177.45 2wey h LEU 551 N 0.18 0.81 -0.08 1.55 5.85 -2.01 -2.79 115.31 118.82 2wey h LEU 551 Ca 0.05 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2wey h LEU 551 Cb -0.02 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2wey h LEU 551 CO -0.01 0.54 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.25 2wey h GLU 552 N 0.93 0.18 -0.25 1.25 5.08 -1.87 -2.37 114.58 117.53 2wey h GLU 552 Ca 0.33 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 2wey h GLU 552 Cb 0.14 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2wey h GLU 552 CO -0.11 0.57 -0.05 0.00 -1.00 0.00 0.00 179.01 178.42 2wey h ARG 553 N -0.20 0.01 -0.55 2.33 3.08 -1.17 0.45 114.38 118.33 2wey h ARG 553 Ca 0.02 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2wey h ARG 553 Cb 0.52 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2wey h ARG 553 CO 0.01 0.01 -0.01 1.57 -1.07 0.00 0.00 179.97 180.48 2wey h LYS 554 N 0.01 0.96 -0.11 0.04 2.10 -1.63 -1.68 116.57 116.26 2wey h LYS 554 Ca 0.12 -0.29 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 2wey h LYS 554 Cb 0.18 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.39 2wey h LYS 554 CO -0.25 0.95 -0.03 0.78 -2.00 0.00 0.00 179.45 178.90 2wey h GLY 555 N 0.99 0.07 0.85 0.07 0.00 -0.73 -2.27 103.07 102.06 2wey h GLY 555 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 2wey h GLY 555 CO 0.03 -0.05 0.02 1.41 0.00 0.00 0.00 176.54 177.95 2wey h LEU 556 N -0.01 0.41 -0.72 3.11 3.38 -0.03 -1.97 115.31 119.47 2wey h LEU 556 Ca 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2wey h LEU 556 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2wey h LEU 556 CO -0.12 0.59 0.39 -0.07 0.09 0.00 0.00 178.44 179.33 2wey h LEU 557 N 0.21 0.91 -0.05 1.67 3.38 -1.28 -1.18 115.31 118.96 2wey h LEU 557 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wey h LEU 557 Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wey h LEU 557 CO 0.01 0.75 0.01 0.40 0.09 0.00 0.00 178.44 179.70 2wey h ILE 558 N 1.00 1.21 -0.99 1.22 1.08 -1.40 -2.73 117.51 116.90 2wey h ILE 558 Ca 0.25 -0.65 0.20 0.00 -0.39 0.00 0.00 64.86 64.27 2wey h ILE 558 Cb 0.05 1.55 -0.11 0.00 -3.07 0.00 0.00 36.82 35.24 2wey h ILE 558 CO -0.04 0.18 0.60 0.00 -0.69 0.00 0.00 178.15 178.19 2wey h ALA 559 N 0.76 1.66 -0.50 1.87 0.00 -1.18 -1.52 119.26 120.36 2wey h ALA 559 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2wey h ALA 559 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wey h ALA 559 CO 0.00 -0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.28 2wey h LEU 561 N 0.68 0.25 -0.20 0.00 5.85 -1.14 -3.23 115.31 117.53 2wey h LEU 561 Ca 0.15 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2wey h LEU 561 Cb 0.34 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2wey h LEU 561 CO 0.00 0.57 -0.51 0.00 -0.34 0.00 0.00 178.44 178.16 2wey h HIS 563 N 0.48 0.00 -0.04 0.00 2.07 -0.40 -1.83 115.15 115.42 2wey h HIS 563 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2wey h HIS 563 Cb 0.52 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.45 2wey h HIS 563 CO 0.00 0.01 -0.55 -0.25 -3.07 0.00 0.00 177.93 174.07 2wey n ASP 564 N -3.42 1.84 -4.60 3.10 8.00 -1.26 -4.87 116.55 115.33 2wey n ASP 564 Ca -0.03 -3.78 -0.49 0.00 0.71 0.00 0.00 54.79 51.20 2wey n ASP 564 Cb 0.11 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 40.65 2wey n ASP 564 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wey n LEU 565 N -1.00 2.93 -2.42 0.64 4.77 -0.69 -2.13 117.00 119.10 2wey n LEU 565 Ca 0.20 0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2wey n LEU 565 Cb 0.73 -1.34 0.05 0.00 -2.33 0.00 0.00 43.42 40.53 2wey n LEU 565 CO -0.02 -0.38 0.12 -0.67 -1.33 0.00 0.00 177.39 175.12 2wey n ASP 566 N 8.20 -3.71 -4.72 -1.43 2.03 -0.51 -4.34 116.55 112.07 2wey n ASP 566 Ca 0.30 -0.35 -0.42 0.00 0.52 0.00 0.00 54.79 54.84 2wey n ASP 566 Cb 0.28 -3.28 -0.03 0.00 -0.72 0.00 0.00 41.12 37.37 2wey n ASP 566 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2wey s HIS 567 N -3.20 3.51 -0.87 -0.67 2.46 -0.91 -4.94 115.29 110.67 2wey s HIS 567 Ca 0.23 1.45 0.24 0.00 0.47 0.00 0.00 55.06 57.44 2wey s HIS 567 Cb -0.10 -3.35 0.31 0.00 -0.13 0.00 0.00 32.58 29.31 2wey s HIS 567 CO 0.44 -0.94 1.27 0.54 -2.47 0.00 0.00 174.74 173.58 2wey n ARG 568 N 3.24 0.10 -0.04 2.88 3.00 -1.26 -4.44 116.66 120.14 2wey n ARG 568 Ca 0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 2wey n ARG 568 Cb 0.46 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2wey n ARG 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wey n GLY 569 N 1.45 0.98 3.32 -0.13 0.00 -1.26 -4.96 105.19 104.59 2wey n GLY 569 Ca 0.04 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wey n GLY 569 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wey s PHE 570 N -2.00 2.47 0.71 1.61 0.40 -1.26 -4.62 117.98 115.29 2wey s PHE 570 Ca 0.00 -0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 55.67 2wey s PHE 570 Cb 0.00 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.96 2wey s PHE 570 CO 0.00 -0.10 1.08 -1.54 0.70 0.00 0.00 175.22 175.36 2wey s SER 571 N -0.37 5.06 0.54 1.36 1.04 -1.26 -4.91 113.70 115.16 2wey s SER 571 Ca 0.03 1.78 0.29 0.00 0.48 0.00 0.00 55.95 58.52 2wey s SER 571 Cb -0.12 -2.52 1.45 0.00 0.10 0.00 0.00 66.02 64.93 2wey s SER 571 CO 0.02 -1.66 1.94 0.78 0.98 0.00 0.00 173.24 175.29 2wey h ASN 572 N -0.61 0.00 0.58 7.02 2.35 -2.01 -2.35 115.58 120.55 2wey h ASN 572 Ca -0.45 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2wey h ASN 572 Cb 1.22 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.60 2wey h ASN 572 CO 0.54 0.00 -0.28 0.28 -1.65 0.00 0.00 177.43 176.32 2wey h SER 573 N 0.00 -0.66 -1.18 5.81 0.02 -1.99 -3.09 113.55 112.46 2wey h SER 573 Ca 0.32 0.02 0.42 0.00 -0.84 0.00 0.00 61.79 61.71 2wey h SER 573 Cb 1.32 0.17 -0.15 0.00 0.14 0.00 0.00 62.40 63.88 2wey h SER 573 CO -0.00 -0.31 0.72 0.22 -1.14 0.00 0.00 176.83 176.31 2wey h TYR 574 N -1.10 0.68 0.13 3.45 3.20 -1.78 1.22 116.97 122.77 2wey h TYR 574 Ca -0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2wey h TYR 574 Cb 0.60 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2wey h TYR 574 CO 0.02 -0.31 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.09 2wey h LEU 575 N 0.07 -0.15 0.01 2.82 3.38 -1.59 -2.51 115.31 117.33 2wey h LEU 575 Ca 0.83 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 58.27 2wey h LEU 575 Cb 2.40 0.04 0.02 0.00 0.09 0.00 0.00 40.66 43.20 2wey h LEU 575 CO -0.57 0.27 -0.82 1.56 0.09 0.00 0.00 178.44 178.97 2wey h GLN 576 N -0.61 0.54 -0.30 1.13 4.20 -0.69 -1.63 115.11 117.75 2wey h GLN 576 Ca -0.02 -0.59 0.06 0.00 0.06 0.00 0.00 58.65 58.17 2wey h GLN 576 Cb 0.47 0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 2wey h GLN 576 CO 0.03 1.21 -0.12 0.87 -0.67 0.00 0.00 178.83 180.15 2wey h LYS 577 N 0.11 -0.06 -0.20 1.46 1.57 0.12 -3.45 116.57 116.11 2wey h LYS 577 Ca -0.10 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.93 2wey h LYS 577 Cb 1.51 0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.63 2wey h LYS 577 CO 0.16 -0.04 0.12 -0.59 -0.57 0.00 0.00 179.45 178.53 2wey s PHE 578 N -6.19 -0.35 0.00 -1.35 -0.12 -0.95 -5.03 117.98 103.99 2wey s PHE 578 Ca -0.14 0.29 0.08 0.00 -0.05 0.00 0.00 56.93 57.11 2wey s PHE 578 Cb 0.13 0.09 0.13 0.00 -0.63 0.00 0.00 43.02 42.74 2wey s PHE 578 CO 0.70 -0.20 0.99 -0.25 -0.05 0.00 0.00 175.22 176.41 2wey n ASP 579 N 5.31 -0.24 -4.50 1.98 8.00 -1.23 -4.65 116.55 121.22 2wey n ASP 579 Ca -0.00 -1.89 -0.44 0.00 0.71 0.00 0.00 54.79 53.17 2wey n ASP 579 Cb 0.56 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 2wey n ASP 579 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2wey n HIS 580 N 0.15 0.30 -0.42 1.24 -0.00 -0.62 -4.69 115.22 111.18 2wey n HIS 580 Ca -0.13 0.72 0.37 0.00 0.46 0.00 0.00 57.72 59.14 2wey n HIS 580 Cb 0.81 -2.10 0.71 0.00 -0.12 0.00 0.00 29.99 29.29 2wey n HIS 580 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2wey h PRO 581 N 1.36 0.08 -0.27 1.57 0.11 -1.98 -0.67 132.00 132.19 2wey h PRO 581 Ca -0.38 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 2wey h PRO 581 Cb 1.38 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 2wey h PRO 581 CO 0.57 0.05 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.99 2wey h LEU 582 N 0.08 0.63 -0.76 2.35 3.38 -1.93 -2.73 115.31 116.33 2wey h LEU 582 Ca 0.69 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 2wey h LEU 582 Cb 2.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 43.06 2wey h LEU 582 CO -0.12 0.92 -0.62 0.00 0.09 0.00 0.00 178.44 178.71 2wey h ALA 583 N 1.11 0.98 0.00 1.53 0.00 -1.34 -1.04 119.26 120.50 2wey h ALA 583 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wey h ALA 583 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wey h ALA 583 CO 0.07 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.09 2wey n ALA 584 N -2.42 1.83 -0.05 0.00 0.00 -0.95 -2.93 120.51 115.99 2wey n ALA 584 Ca -0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2wey n ALA 584 Cb 0.62 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 2wey n ALA 584 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wey n LEU 585 N -1.27 1.02 -4.08 0.00 0.00 -0.84 -5.04 117.00 106.79 2wey n LEU 585 Ca 0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 56.01 55.88 2wey n LEU 585 Cb 0.11 0.01 -0.13 0.00 0.00 0.00 0.00 43.42 43.41 2wey n LEU 585 CO 0.11 0.39 -0.44 -0.31 0.00 0.00 0.00 177.39 177.14 2wey s TYR 586 N -2.23 0.94 0.00 1.96 2.02 -0.45 -5.06 117.35 114.53 2wey s TYR 586 Ca -0.08 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2wey s TYR 586 Cb 0.03 -0.57 0.00 0.00 -0.40 0.00 0.00 41.96 41.02 2wey s TYR 586 CO 0.34 -0.00 0.75 -1.13 -1.57 0.00 0.00 175.55 173.94 2wey n SER 587 N 2.15 1.48 -3.72 2.29 3.41 -1.26 -4.38 113.62 113.58 2wey n SER 587 Ca -0.17 -1.53 -0.12 0.00 -0.26 0.00 0.00 58.87 56.79 2wey n SER 587 Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 2wey n SER 587 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wey s THR 588 N -0.53 -0.03 -1.01 6.66 -1.32 -1.26 -4.94 115.64 113.22 2wey s THR 588 Ca 0.00 0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 60.45 2wey s THR 588 Cb 0.00 -0.48 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2wey s THR 588 CO 0.00 0.05 0.70 -1.20 -2.21 0.00 0.00 174.62 171.96 2wey n SER 589 N 4.15 -5.28 0.00 8.08 7.64 -1.26 -4.79 113.62 122.16 2wey n SER 589 Ca -0.24 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2wey n SER 589 Cb 0.54 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.97 2wey n SER 589 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2wey n THR 590 N -3.59 0.00 -0.33 0.44 -1.04 -1.26 -2.11 114.28 106.39 2wey n THR 590 Ca -0.15 1.19 0.21 0.00 -2.04 0.00 0.00 64.05 63.26 2wey n THR 590 Cb 0.60 -2.01 0.46 0.00 -1.82 0.00 0.00 70.33 67.57 2wey n THR 590 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2wey h MET 591 N 0.00 0.46 -0.75 -2.82 2.86 -1.93 -1.81 114.93 110.94 2wey h MET 591 Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2wey h MET 591 Cb 0.00 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2wey h MET 591 CO 0.00 0.30 0.35 0.93 1.06 0.00 0.00 176.91 179.55 2wey h GLU 592 N 0.47 1.08 0.00 1.72 3.07 -1.86 0.77 114.58 119.84 2wey h GLU 592 Ca 0.60 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 59.18 2wey h GLU 592 Cb 1.37 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 2wey h GLU 592 CO -0.34 0.85 -0.57 1.96 -1.40 0.00 0.00 179.01 179.51 2wey h GLN 593 N 1.05 0.00 -0.19 2.33 4.20 -0.80 -2.81 115.11 118.89 2wey h GLN 593 Ca 0.26 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.76 2wey h GLN 593 Cb 0.14 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 2wey h GLN 593 CO -0.03 0.57 -0.69 1.25 -0.67 0.00 0.00 178.83 179.26 2wey h HIS 594 N 0.00 1.06 -0.72 2.96 2.76 -0.76 -0.35 115.15 120.10 2wey h HIS 594 Ca -0.01 -0.44 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 2wey h HIS 594 Cb 1.25 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 30.00 2wey h HIS 594 CO 0.00 1.27 0.37 0.45 -1.30 0.00 0.00 177.93 178.72 2wey h HIS 595 N 0.55 1.00 0.00 5.26 3.86 0.54 -1.62 115.15 124.74 2wey h HIS 595 Ca -0.03 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.95 2wey h HIS 595 Cb 1.32 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 2wey h HIS 595 CO 0.09 0.71 -0.93 0.35 0.86 0.00 0.00 177.93 179.01 2wey h PHE 596 N 1.01 0.00 -0.27 2.45 3.57 -1.50 -2.85 116.94 119.35 2wey h PHE 596 Ca 0.25 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2wey h PHE 596 Cb 0.07 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2wey h PHE 596 CO 0.01 0.93 0.04 1.03 -2.23 0.00 0.00 178.31 178.08 2wey h SER 597 N 0.00 -0.02 -0.92 0.41 0.87 -0.60 -1.63 113.55 111.66 2wey h SER 597 Ca -0.01 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 2wey h SER 597 Cb 1.69 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 63.66 2wey h SER 597 CO 0.12 0.02 0.59 1.56 -0.53 0.00 0.00 176.83 178.59 2wey h GLN 598 N 0.13 1.06 -0.53 2.24 1.08 -1.31 -2.13 115.11 115.66 2wey h GLN 598 Ca 0.13 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2wey h GLN 598 Cb 0.14 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2wey h GLN 598 CO -0.18 0.70 0.14 1.15 -0.95 0.00 0.00 178.83 179.69 2wey h THR 599 N 1.10 1.24 -0.48 -0.54 2.02 -1.20 -0.42 112.91 114.62 2wey h THR 599 Ca 0.39 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 2wey h THR 599 Cb 0.11 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2wey h THR 599 CO -0.15 0.31 0.16 0.58 0.37 0.00 0.00 175.52 176.79 2wey h VAL 600 N 0.74 1.19 -0.11 3.16 2.07 -1.11 -2.65 116.25 119.54 2wey h VAL 600 Ca 0.17 -0.64 -0.20 0.00 0.82 0.00 0.00 66.70 66.85 2wey h VAL 600 Cb 0.32 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wey h VAL 600 CO -0.00 0.24 -0.76 0.28 0.02 0.00 0.00 177.57 177.36 2wey h SER 601 N 0.69 0.67 -0.14 0.57 0.02 -0.69 -2.82 113.55 111.85 2wey h SER 601 Ca 0.16 -0.44 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 2wey h SER 601 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2wey h SER 601 CO -0.01 1.21 -0.34 0.40 -1.14 0.00 0.00 176.83 176.95 2wey h ILE 602 N 0.38 1.29 0.00 3.27 2.04 -1.07 -3.25 117.51 120.17 2wey h ILE 602 Ca -0.04 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 2wey h ILE 602 Cb 1.35 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2wey h ILE 602 CO 0.14 0.48 -0.28 -0.07 0.00 0.00 0.00 178.15 178.41 2wey h LEU 603 N 0.55 0.00 -0.37 1.44 3.38 -1.36 -2.92 115.31 116.03 2wey h LEU 603 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wey h LEU 603 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2wey h LEU 603 CO 0.07 0.28 -0.31 0.00 0.09 0.00 0.00 178.44 178.57 2wey n GLN 604 N -3.55 0.63 -1.04 1.13 6.02 -1.07 -3.40 117.38 116.10 2wey n GLN 604 Ca -0.01 -0.37 -0.31 0.00 -0.01 0.00 0.00 57.00 56.30 2wey n GLN 604 Cb 0.43 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.32 2wey n GLN 604 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wey s LEU 605 N -2.62 2.96 0.08 1.08 1.43 -1.10 -4.96 118.68 115.55 2wey s LEU 605 Ca 0.21 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 2wey s LEU 605 Cb 0.19 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 2wey s LEU 605 CO 0.56 -2.47 1.09 -0.70 0.23 0.00 0.00 176.35 175.06 2wey s GLU 606 N -4.79 4.54 0.00 1.70 2.12 -1.26 -2.82 118.70 118.19 2wey s GLU 606 Ca 0.64 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2wey s GLU 606 Cb -0.20 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2wey s GLU 606 CO 0.57 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 2wey n GLY 607 N 2.72 0.33 0.02 -1.50 0.00 -1.26 -4.78 105.19 100.71 2wey n GLY 607 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2wey n GLY 607 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wey n HIS 608 N -2.15 0.12 -2.24 1.61 8.25 -1.13 -4.51 115.22 115.17 2wey n HIS 608 Ca 0.00 0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 2wey n HIS 608 Cb 0.11 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 2wey n HIS 608 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2wey s ASN 609 N -3.75 5.94 0.05 0.41 3.84 -1.22 -4.70 114.94 115.51 2wey s ASN 609 Ca 0.02 0.57 0.25 0.00 0.21 0.00 0.00 52.86 53.92 2wey s ASN 609 Cb 0.15 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.91 2wey s ASN 609 CO 0.85 -1.80 1.49 2.30 -2.79 0.00 0.00 177.10 177.15 2wey n ILE 610 N 7.07 0.15 -0.12 -5.21 -5.35 -1.26 -3.72 119.36 110.92 2wey n ILE 610 Ca 0.17 -0.11 0.11 0.00 -0.27 0.00 0.00 62.75 62.65 2wey n ILE 610 Cb 0.49 -0.05 0.29 0.00 -1.74 0.00 0.00 39.64 38.63 2wey n ILE 610 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2wey n PHE 611 N -1.75 0.88 -0.33 4.28 3.01 -1.26 -4.61 117.46 117.68 2wey n PHE 611 Ca 0.05 -0.44 0.23 0.00 1.01 0.00 0.00 57.45 58.29 2wey n PHE 611 Cb 0.38 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.34 2wey n PHE 611 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wey h SER 612 N 3.93 0.47 0.00 4.37 0.02 -1.98 -0.87 113.55 119.49 2wey h SER 612 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wey h SER 612 Cb 0.90 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2wey h SER 612 CO 0.00 0.07 0.00 0.35 -1.14 0.00 0.00 176.83 176.11 2wey n THR 613 N -4.68 0.00 -4.19 -2.27 -2.24 -1.26 -4.79 114.28 94.85 2wey n THR 613 Ca 0.26 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.74 2wey n THR 613 Cb 0.89 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 2wey n THR 613 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wey s LEU 614 N -1.29 3.29 0.69 3.22 1.43 -0.33 -5.11 118.68 120.57 2wey s LEU 614 Ca 0.11 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 2wey s LEU 614 Cb 0.05 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2wey s LEU 614 CO 0.08 0.18 1.16 -0.94 0.23 0.00 0.00 176.35 177.07 2wey s SER 615 N -2.20 4.67 0.67 2.29 1.04 -1.26 -4.77 113.70 114.13 2wey s SER 615 Ca 0.24 2.20 0.41 0.00 0.48 0.00 0.00 55.95 59.27 2wey s SER 615 Cb -0.11 -2.57 2.21 0.00 0.10 0.00 0.00 66.02 65.64 2wey s SER 615 CO 0.16 -1.94 2.25 0.77 0.98 0.00 0.00 173.24 175.46 2wey h SER 616 N -0.06 0.00 -0.26 7.02 4.64 -1.97 0.24 113.55 123.16 2wey h SER 616 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 2wey h SER 616 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2wey h SER 616 CO 0.52 0.00 -0.46 -1.28 -0.87 0.00 0.00 176.83 174.74 2wey h SER 617 N 0.00 0.90 1.31 4.97 0.87 -2.00 -1.36 113.55 118.24 2wey h SER 617 Ca 0.00 -0.44 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 2wey h SER 617 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2wey h SER 617 CO -0.00 1.22 -0.72 -0.33 -0.53 0.00 0.00 176.83 176.47 2wey h GLU 618 N 0.66 0.00 -0.20 2.24 5.08 -1.11 -3.32 114.58 117.93 2wey h GLU 618 Ca 0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2wey h GLU 618 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2wey h GLU 618 CO 0.10 0.35 -0.56 -0.92 -1.00 0.00 0.00 179.01 176.98 2wey h TYR 619 N 0.00 0.95 -0.79 4.33 3.20 -0.60 -3.08 116.97 120.98 2wey h TYR 619 Ca -0.04 -0.37 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 2wey h TYR 619 Cb 1.36 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 2wey h TYR 619 CO 0.00 1.18 0.41 1.05 -1.64 0.00 0.00 178.16 179.16 2wey h GLU 620 N 0.46 1.12 -0.59 1.82 4.11 -1.37 -2.90 114.58 117.23 2wey h GLU 620 Ca -0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2wey h GLU 620 Cb 1.18 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2wey h GLU 620 CO 0.12 0.85 0.37 1.96 0.07 0.00 0.00 179.01 182.38 2wey h GLN 621 N 1.11 0.79 0.06 1.06 4.20 -1.65 -2.65 115.11 118.03 2wey h GLN 621 Ca 0.28 -0.06 -0.27 0.00 0.06 0.00 0.00 58.65 58.66 2wey h GLN 621 Cb 0.08 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 27.70 2wey h GLN 621 CO -0.04 0.55 -1.11 -0.24 -0.67 0.00 0.00 178.83 177.33 2wey h VAL 622 N 0.80 1.34 -0.14 -0.54 3.04 -1.44 -0.65 116.25 118.65 2wey h VAL 622 Ca 0.21 -2.47 -0.06 0.00 -1.01 0.00 0.00 66.70 63.37 2wey h VAL 622 Cb -0.05 2.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2wey h VAL 622 CO -0.04 0.75 -0.18 -0.07 -1.01 0.00 0.00 177.57 177.01 2wey h LEU 623 N 0.27 0.23 -0.45 3.16 3.38 -1.57 0.67 115.31 121.00 2wey h LEU 623 Ca -0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2wey h LEU 623 Cb 1.77 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2wey h LEU 623 CO 0.20 0.43 0.12 -0.08 0.09 0.00 0.00 178.44 179.20 2wey h GLU 624 N 0.22 0.72 -0.27 1.13 4.57 -1.23 0.11 114.58 119.83 2wey h GLU 624 Ca 0.04 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2wey h GLU 624 Cb 0.45 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2wey h GLU 624 CO 0.03 0.71 0.17 0.82 -1.18 0.00 0.00 179.01 179.56 2wey h ILE 625 N 0.60 1.09 -0.33 2.32 2.04 -0.30 -1.78 117.51 121.15 2wey h ILE 625 Ca 0.14 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 2wey h ILE 625 Cb 0.31 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2wey h ILE 625 CO 0.00 0.09 -0.35 0.40 0.00 0.00 0.00 178.15 178.29 2wey h ILE 626 N 0.35 1.28 0.19 -0.67 2.04 -0.82 -1.64 117.51 118.24 2wey h ILE 626 Ca 0.10 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2wey h ILE 626 Cb 0.00 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2wey h ILE 626 CO -0.02 0.49 -0.09 -0.09 0.00 0.00 0.00 178.15 178.44 2wey h ARG 627 N 0.63 -0.25 -0.60 2.37 2.43 -0.70 -0.89 114.38 117.38 2wey h ARG 627 Ca 0.06 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2wey h ARG 627 Cb 0.89 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 2wey h ARG 627 CO 0.08 -0.02 0.35 0.87 -1.51 0.00 0.00 179.97 179.74 2wey h LYS 628 N -0.45 0.65 -0.19 0.20 1.57 -1.32 -1.40 116.57 115.62 2wey h LYS 628 Ca -0.03 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2wey h LYS 628 Cb 0.35 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2wey h LYS 628 CO 0.04 0.43 0.10 0.00 -0.57 0.00 0.00 179.45 179.45 2wey h ALA 629 N 1.28 0.23 0.00 3.86 0.00 -1.18 -0.12 119.26 123.33 2wey h ALA 629 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2wey h ALA 629 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wey h ALA 629 CO -0.13 -0.32 -0.63 0.82 0.00 0.00 0.00 179.25 178.99 2wey h ILE 630 N 0.21 1.37 -0.15 0.00 2.04 -0.91 -2.82 117.51 117.25 2wey h ILE 630 Ca 0.08 -2.22 -0.17 0.00 1.00 0.00 0.00 64.86 63.55 2wey h ILE 630 Cb 0.01 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2wey h ILE 630 CO -0.05 0.62 -0.61 0.40 0.00 0.00 0.00 178.15 178.50 2wey h ILE 631 N 0.00 1.34 0.00 -0.67 1.08 -1.12 -3.00 117.51 115.14 2wey h ILE 631 Ca -0.01 -1.91 -0.00 0.00 -0.39 0.00 0.00 64.86 62.55 2wey h ILE 631 Cb 1.17 1.89 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2wey h ILE 631 CO 0.08 0.59 -0.01 0.00 -0.69 0.00 0.00 178.15 178.12 2wey h ALA 632 N 0.95 1.22 0.00 1.87 0.00 -0.76 -2.25 119.26 120.30 2wey h ALA 632 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wey h ALA 632 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wey h ALA 632 CO 0.11 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.62 2wey n THR 633 N -3.41 0.91 -1.98 0.00 -2.24 -1.13 -4.65 114.28 101.77 2wey n THR 633 Ca -0.03 0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 2wey n THR 633 Cb 0.09 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.31 2wey n THR 633 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wey s ASP 634 N -3.21 6.12 0.26 3.42 2.15 -0.85 -4.88 116.67 119.69 2wey s ASP 634 Ca 0.07 1.65 -0.02 0.00 0.43 0.00 0.00 52.55 54.68 2wey s ASP 634 Cb 0.10 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.54 2wey s ASP 634 CO 0.31 -1.46 1.79 0.25 -0.17 0.00 0.00 175.17 175.88 2wey h LEU 635 N 12.62 0.81 -1.67 -1.34 5.85 -1.91 -1.11 115.31 128.56 2wey h LEU 635 Ca -0.36 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.28 2wey h LEU 635 Cb 1.18 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2wey h LEU 635 CO 1.00 0.82 0.37 0.00 -0.34 0.00 0.00 178.44 180.28 2wey h ALA 636 N 1.28 2.00 0.00 1.25 0.00 -1.95 -2.20 119.26 119.65 2wey h ALA 636 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wey h ALA 636 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wey h ALA 636 CO 0.01 -0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.31 2wey h LEU 637 N 0.39 0.00 -0.39 0.00 6.46 -1.55 -3.34 115.31 116.88 2wey h LEU 637 Ca 0.25 -0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 2wey h LEU 637 Cb 0.47 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2wey h LEU 637 CO -0.06 0.01 -0.35 0.22 -0.62 0.00 0.00 178.44 177.64 2wey h TYR 638 N 0.00 1.09 -0.03 1.25 3.20 -1.24 -3.34 116.97 117.91 2wey h TYR 638 Ca 0.00 -0.32 0.04 0.00 3.14 0.00 0.00 58.73 61.59 2wey h TYR 638 Cb 0.82 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 2wey h TYR 638 CO 0.00 1.14 -0.28 0.74 -1.64 0.00 0.00 178.16 178.12 2wey h PHE 639 N 0.73 -0.76 -0.09 -3.82 -1.00 -1.70 0.02 116.94 110.32 2wey h PHE 639 Ca 0.07 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 2wey h PHE 639 Cb 0.94 0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 2wey h PHE 639 CO 0.06 -0.37 -0.17 0.78 -1.61 0.00 0.00 178.31 177.01 2wey h GLY 640 N -0.41 0.15 0.74 -1.45 0.00 -1.84 -0.77 103.07 99.50 2wey h GLY 640 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2wey h GLY 640 CO -0.26 0.09 -0.14 -0.57 0.00 0.00 0.00 176.54 175.65 2wey h ASN 641 N 0.14 -0.34 -0.77 0.19 -0.00 -1.25 0.22 115.58 113.76 2wey h ASN 641 Ca 0.03 -0.15 -0.03 0.00 -0.00 0.00 0.00 56.30 56.15 2wey h ASN 641 Cb 0.38 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.75 2wey h ASN 641 CO 0.02 -0.03 0.37 -0.09 -0.00 0.00 0.00 177.43 177.70 2wey h ARG 642 N -0.67 1.13 -0.15 6.67 1.12 -0.93 0.20 114.38 121.75 2wey h ARG 642 Ca -0.04 -0.16 -0.12 0.00 -1.11 0.00 0.00 59.98 58.54 2wey h ARG 642 Cb 0.47 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 2wey h ARG 642 CO 0.07 0.87 -0.45 -0.22 -3.11 0.00 0.00 179.97 177.13 2wey h LYS 643 N 1.12 0.35 0.00 0.20 3.64 -1.13 0.12 116.57 120.86 2wey h LYS 643 Ca 0.27 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2wey h LYS 643 Cb 0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2wey h LYS 643 CO -0.03 0.74 -0.54 1.96 -2.27 0.00 0.00 179.45 179.30 2wey h GLN 644 N 0.29 0.00 0.00 1.90 1.08 0.10 -3.04 115.11 115.44 2wey h GLN 644 Ca 0.02 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.00 2wey h GLN 644 Cb 0.91 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2wey h GLN 644 CO 0.08 0.54 -0.93 -0.07 -0.95 0.00 0.00 178.83 177.49 2wey h LEU 645 N 0.00 0.47 -0.14 1.46 3.38 -0.36 -3.19 115.31 116.93 2wey h LEU 645 Ca -0.01 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.62 2wey h LEU 645 Cb 1.03 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2wey h LEU 645 CO 0.07 1.18 -0.54 -0.08 0.09 0.00 0.00 178.44 179.16 2wey h GLU 646 N 0.20 -0.55 -0.40 1.13 4.57 -0.66 -2.05 114.58 116.82 2wey h GLU 646 Ca -0.07 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 2wey h GLU 646 Cb 1.57 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 30.21 2wey h GLU 646 CO 0.16 -0.36 -0.09 1.49 -1.18 0.00 0.00 179.01 179.03 2wey h GLU 647 N -0.57 0.01 0.20 1.92 4.57 -1.64 -2.72 114.58 116.35 2wey h GLU 647 Ca 0.03 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2wey h GLU 647 Cb 0.67 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2wey h GLU 647 CO -0.44 0.01 -0.15 0.52 -1.18 0.00 0.00 179.01 177.77 2wey h MET 648 N 0.01 -0.34 0.10 1.92 2.86 -1.43 -2.00 114.93 116.05 2wey h MET 648 Ca 0.19 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2wey h MET 648 Cb 0.29 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2wey h MET 648 CO -0.40 -0.23 -0.05 -0.92 1.06 0.00 0.00 176.91 176.37 2wey h TYR 649 N -0.35 -0.12 -0.66 -0.22 3.20 -1.38 -0.78 116.97 116.66 2wey h TYR 649 Ca -0.01 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2wey h TYR 649 Cb 0.31 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 2wey h TYR 649 CO -0.11 -0.02 0.36 1.96 -1.64 0.00 0.00 178.16 178.71 2wey h GLN 650 N -0.20 0.63 0.00 1.82 4.20 -1.43 -2.17 115.11 117.97 2wey h GLN 650 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wey h GLN 650 Cb 0.16 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2wey h GLN 650 CO 0.02 0.42 -0.06 1.79 -0.67 0.00 0.00 178.83 180.34 2wey h THR 651 N 0.65 0.00 0.00 -0.54 1.35 -1.29 -3.47 112.91 109.61 2wey h THR 651 Ca 0.30 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2wey h THR 651 Cb 0.21 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2wey h THR 651 CO -0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 2wey n GLY 652 N 1.20 0.75 0.06 5.82 0.00 -0.43 -4.92 105.19 107.67 2wey n GLY 652 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 2wey n GLY 652 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wey n SER 653 N 0.00 0.19 -4.70 1.61 3.41 -0.45 -4.81 113.62 108.86 2wey n SER 653 Ca 0.00 -1.03 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 2wey n SER 653 Cb 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2wey n SER 653 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wey s LEU 654 N -2.02 4.33 -0.06 1.04 2.96 -0.87 -4.95 118.68 119.11 2wey s LEU 654 Ca 0.46 1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 56.18 2wey s LEU 654 Cb 0.22 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.38 2wey s LEU 654 CO 0.37 -0.45 0.08 0.21 -1.32 0.00 0.00 176.35 175.24 2wey s ASN 655 N 1.17 1.17 0.00 3.68 3.84 -1.26 -4.97 114.94 118.57 2wey s ASN 655 Ca 0.56 0.07 0.25 0.00 0.21 0.00 0.00 52.86 53.95 2wey s ASN 655 Cb -0.25 -0.07 1.14 0.00 -0.55 0.00 0.00 41.25 41.52 2wey s ASN 655 CO 0.26 -0.26 1.83 0.18 -2.79 0.00 0.00 177.10 176.32 2wey n LEU 656 N 5.30 0.00 0.15 3.21 7.99 -1.26 -2.29 117.00 130.11 2wey n LEU 656 Ca -0.04 0.44 0.03 0.00 -0.01 0.00 0.00 56.01 56.43 2wey n LEU 656 Cb 0.50 -0.44 0.11 0.00 -0.11 0.00 0.00 43.42 43.49 2wey n LEU 656 CO 0.06 -0.06 0.52 0.78 -1.51 0.00 0.00 177.39 177.18 2wey h ASN 657 N 0.00 0.00 -2.80 -1.43 2.35 -2.00 -3.42 115.58 108.28 2wey h ASN 657 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2wey h ASN 657 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.76 2wey h ASN 657 CO 0.00 0.48 0.92 0.21 -1.65 0.00 0.00 177.43 177.39 2wey s ASN 658 N -6.45 6.72 0.05 5.81 3.04 -0.97 -4.97 114.94 118.17 2wey s ASN 658 Ca 0.03 2.33 -0.32 0.00 0.04 0.00 0.00 52.86 54.93 2wey s ASN 658 Cb 0.09 -2.56 -0.19 0.00 -1.54 0.00 0.00 41.25 37.05 2wey s ASN 658 CO 0.73 -0.81 1.48 -0.61 -3.04 0.00 0.00 177.10 174.85 2wey h GLN 659 N 8.01 -0.96 0.00 0.43 5.75 -1.86 -2.66 115.11 123.83 2wey h GLN 659 Ca -0.41 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2wey h GLN 659 Cb 1.19 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.96 2wey h GLN 659 CO 0.92 -0.62 0.00 -1.13 -2.65 0.00 0.00 178.83 175.35 2wey n SER 660 N -5.49 0.00 -0.09 -0.69 3.41 -1.26 -1.37 113.62 108.13 2wey n SER 660 Ca -0.14 -0.19 -0.23 0.00 -0.26 0.00 0.00 58.87 58.05 2wey n SER 660 Cb 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 2wey n SER 660 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wey n HIS 661 N -0.98 0.84 0.06 7.33 8.25 -1.02 -3.16 115.22 126.54 2wey n HIS 661 Ca 0.04 0.31 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 2wey n HIS 661 Cb 0.02 -1.09 -0.05 0.00 1.12 0.00 0.00 29.99 29.99 2wey n HIS 661 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wey h ARG 662 N -0.73 -0.37 -1.06 -0.41 3.08 -0.99 0.18 114.38 114.08 2wey h ARG 662 Ca -0.44 0.03 0.29 0.00 0.07 0.00 0.00 59.98 59.92 2wey h ARG 662 Cb 1.54 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.56 2wey h ARG 662 CO -0.18 -0.25 0.66 -0.44 -1.07 0.00 0.00 179.97 178.69 2wey h ASP 663 N -0.39 0.50 0.28 7.04 5.19 -1.47 1.18 116.42 128.75 2wey h ASP 663 Ca 0.06 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2wey h ASP 663 Cb 0.47 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2wey h ASP 663 CO -0.22 0.03 -0.14 0.03 -3.12 0.00 0.00 179.24 175.82 2wey h ARG 664 N 0.40 -0.37 -0.35 3.56 3.08 -1.28 -1.90 114.38 117.53 2wey h ARG 664 Ca 0.66 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.80 2wey h ARG 664 Cb 1.58 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.65 2wey h ARG 664 CO -0.41 -0.04 -0.05 0.28 -1.07 0.00 0.00 179.97 178.69 2wey h VAL 665 N -0.94 0.69 -0.91 2.04 2.07 0.92 0.54 116.25 120.67 2wey h VAL 665 Ca -0.04 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2wey h VAL 665 Cb 0.50 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2wey h VAL 665 CO 0.06 0.01 0.55 0.40 0.02 0.00 0.00 177.57 178.61 2wey h ILE 666 N 0.04 0.94 -0.45 4.57 2.04 0.12 -0.75 117.51 124.02 2wey h ILE 666 Ca 0.17 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2wey h ILE 666 Cb 0.25 -0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.20 2wey h ILE 666 CO -0.32 0.17 0.02 1.23 0.00 0.00 0.00 178.15 179.24 2wey h GLY 667 N 0.92 0.47 1.82 5.37 0.00 -0.07 -0.67 103.07 110.90 2wey h GLY 667 Ca 0.44 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 2wey h GLY 667 CO -0.24 -0.10 -0.37 -2.00 0.00 0.00 0.00 176.54 173.82 2wey h LEU 668 N 0.13 0.21 0.11 3.11 5.85 -0.32 -2.14 115.31 122.26 2wey h LEU 668 Ca 0.22 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2wey h LEU 668 Cb 0.32 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2wey h LEU 668 CO -0.35 0.57 -0.05 0.24 -0.34 0.00 0.00 178.44 178.51 2wey h MET 669 N 0.17 -0.14 -0.49 1.25 2.86 -0.35 0.20 114.93 118.43 2wey h MET 669 Ca 0.02 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2wey h MET 669 Cb 0.75 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.37 2wey h MET 669 CO 0.06 -0.06 0.11 0.52 1.06 0.00 0.00 176.91 178.60 2wey h MET 670 N -0.19 0.24 -0.88 1.72 2.86 -0.96 -1.29 114.93 116.44 2wey h MET 670 Ca -0.01 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2wey h MET 670 Cb 0.15 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2wey h MET 670 CO 0.02 0.16 0.56 1.15 1.06 0.00 0.00 176.91 179.87 2wey h THR 671 N 0.25 1.11 0.19 2.22 2.02 -1.12 -0.65 112.91 116.93 2wey h THR 671 Ca 0.25 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2wey h THR 671 Cb 0.32 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2wey h THR 671 CO -0.31 0.20 -0.09 0.00 0.37 0.00 0.00 175.52 175.68 2wey h ALA 672 N 1.38 -0.25 -0.57 6.16 0.00 -0.09 -2.71 119.26 123.17 2wey h ALA 672 Ca 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2wey h ALA 672 Cb 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wey h ALA 672 CO -0.14 -0.58 0.37 0.00 0.00 0.00 0.00 179.25 178.91 2wey h ASP 674 N 0.76 0.48 -0.01 0.00 3.58 -0.97 -1.76 116.42 118.49 2wey h ASP 674 Ca 0.22 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2wey h ASP 674 Cb -0.06 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2wey h ASP 674 CO -0.06 0.19 -0.48 0.18 -2.88 0.00 0.00 179.24 176.19 2wey n LEU 675 N -4.55 1.72 0.08 2.28 4.77 -0.94 -4.67 117.00 115.68 2wey n LEU 675 Ca 0.20 -0.72 0.02 0.00 -0.03 0.00 0.00 56.01 55.47 2wey n LEU 675 Cb 0.66 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.84 2wey n LEU 675 CO 0.29 0.33 0.63 0.00 -1.33 0.00 0.00 177.39 177.32 2wey h SER 677 N 0.00 0.00 -0.31 0.00 0.87 -1.83 0.32 113.55 112.60 2wey h SER 677 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wey h SER 677 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2wey h SER 677 CO 0.00 0.00 0.00 1.33 -0.53 0.00 0.00 176.83 177.63 2wey n VAL 678 N -3.62 0.41 0.10 2.23 0.24 -0.39 -3.97 118.33 113.32 2wey n VAL 678 Ca 0.11 -0.47 0.03 0.00 -2.04 0.00 0.00 64.34 61.97 2wey n VAL 678 Cb 0.83 0.34 0.04 0.00 -1.47 0.00 0.00 33.84 33.59 2wey n VAL 678 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wey n THR 679 N 0.58 0.41 -2.27 3.34 -2.24 0.11 -3.85 114.28 110.36 2wey n THR 679 Ca 0.15 -0.70 -0.26 0.00 -2.27 0.00 0.00 64.05 60.96 2wey n THR 679 Cb 0.35 0.87 0.12 0.00 -2.10 0.00 0.00 70.33 69.57 2wey n THR 679 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wey s LYS 680 N -0.68 1.46 0.52 -0.78 -0.14 -1.23 -4.46 119.74 114.42 2wey s LYS 680 Ca 0.09 -0.66 -0.20 0.00 -1.36 0.00 0.00 55.97 53.84 2wey s LYS 680 Cb 0.05 -2.13 -0.07 0.00 -1.68 0.00 0.00 37.83 34.00 2wey s LYS 680 CO 0.07 -1.72 1.08 -0.51 -0.76 0.00 0.00 175.35 173.52 2wey s LEU 681 N -5.42 3.79 0.21 3.17 1.02 -1.26 -4.66 118.68 115.53 2wey s LEU 681 Ca 0.67 2.04 -0.15 0.00 0.02 0.00 0.00 54.13 56.72 2wey s LEU 681 Cb -0.06 -4.57 0.24 0.00 0.02 0.00 0.00 46.19 41.82 2wey s LEU 681 CO 0.47 -1.01 1.60 -0.25 0.02 0.00 0.00 176.35 177.19 2wey h TRP 682 N 1.34 -0.54 -0.57 0.29 2.91 -1.97 0.10 115.95 117.51 2wey h TRP 682 Ca -0.50 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 2wey h TRP 682 Cb 1.24 0.34 -0.03 0.00 -0.51 0.00 0.00 29.16 30.20 2wey h TRP 682 CO 0.54 -0.33 0.31 -1.35 -1.03 0.00 0.00 178.44 176.58 2wey h PRO 683 N -0.05 0.79 0.23 2.65 0.11 -2.00 -0.62 132.00 133.11 2wey h PRO 683 Ca 0.31 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 2wey h PRO 683 Cb 0.53 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2wey h PRO 683 CO -0.72 0.59 -0.11 0.28 -0.21 0.00 0.00 178.00 177.83 2wey h VAL 684 N 0.80 0.84 -0.84 3.15 2.07 -1.53 -3.19 116.25 117.54 2wey h VAL 684 Ca 0.20 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.19 2wey h VAL 684 Cb 0.03 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2wey h VAL 684 CO -0.03 0.13 0.55 0.74 0.02 0.00 0.00 177.57 178.98 2wey h THR 685 N -0.64 0.95 -0.61 2.57 2.02 -0.78 -1.80 112.91 114.61 2wey h THR 685 Ca -0.03 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.95 2wey h THR 685 Cb 0.46 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 2wey h THR 685 CO 0.05 0.14 0.29 0.50 0.37 0.00 0.00 175.52 176.88 2wey h LYS 686 N 0.79 0.52 0.00 6.66 3.64 -1.13 -2.89 116.57 124.15 2wey h LYS 686 Ca 0.39 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.49 2wey h LYS 686 Cb 0.45 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2wey h LYS 686 CO -0.16 0.34 -0.96 -0.07 -2.27 0.00 0.00 179.45 176.34 2wey h LEU 687 N 0.53 0.84 -2.06 5.20 3.38 -1.33 -3.22 115.31 118.66 2wey h LEU 687 Ca 0.29 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2wey h LEU 687 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wey h LEU 687 CO -0.23 1.47 0.07 0.74 0.09 0.00 0.00 178.44 180.59 2wey h THR 688 N 0.29 0.89 -0.70 0.22 2.02 -1.39 -0.67 112.91 113.56 2wey h THR 688 Ca -0.12 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2wey h THR 688 Cb 1.62 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 2wey h THR 688 CO 0.19 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.41 2wey h ALA 689 N 1.95 1.26 -0.60 6.16 0.00 -1.51 -1.32 119.26 125.19 2wey h ALA 689 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wey h ALA 689 Cb 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wey h ALA 689 CO -0.00 0.57 0.40 -0.91 0.00 0.00 0.00 179.25 179.30 2wey h ASN 690 N 1.00 0.64 -0.05 0.00 -0.26 -1.20 0.94 115.58 116.64 2wey h ASN 690 Ca 0.24 -0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 55.85 2wey h ASN 690 Cb 0.11 -0.15 0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2wey h ASN 690 CO -0.03 0.45 -0.44 0.44 -1.06 0.00 0.00 177.43 176.79 2wey h ASP 691 N 0.75 0.47 -0.59 5.81 3.32 -1.46 -0.68 116.42 124.04 2wey h ASP 691 Ca 0.23 -0.69 0.09 0.00 0.02 0.00 0.00 57.03 56.68 2wey h ASP 691 Cb 0.01 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.35 2wey h ASP 691 CO -0.06 1.09 0.19 0.40 -1.72 0.00 0.00 179.24 179.15 2wey h ILE 692 N -0.12 0.75 0.03 0.35 2.04 -0.97 -2.52 117.51 117.06 2wey h ILE 692 Ca -0.04 -0.12 -0.22 0.00 1.00 0.00 0.00 64.86 65.47 2wey h ILE 692 Cb 1.12 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2wey h ILE 692 CO 0.09 0.07 -1.04 1.88 0.00 0.00 0.00 178.15 179.15 2wey h TYR 693 N 0.36 0.14 -0.84 1.37 -1.99 -0.87 -2.95 116.97 112.19 2wey h TYR 693 Ca 0.30 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.90 2wey h TYR 693 Cb 0.38 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 2wey h TYR 693 CO -0.19 1.05 0.41 0.00 -0.00 0.00 0.00 178.16 179.43 2wey h ALA 694 N 0.91 1.08 -0.45 3.88 0.00 -0.95 0.22 119.26 123.95 2wey h ALA 694 Ca -0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2wey h ALA 694 Cb 1.78 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2wey h ALA 694 CO 0.15 0.64 -0.19 1.49 0.00 0.00 0.00 179.25 181.33 2wey h GLU 695 N 1.19 0.88 -0.17 0.00 4.81 -1.52 -0.86 114.58 118.91 2wey h GLU 695 Ca 0.29 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2wey h GLU 695 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2wey h GLU 695 CO -0.04 0.99 0.10 0.74 -0.73 0.00 0.00 179.01 180.08 2wey h PHE 696 N 0.77 0.22 0.00 0.92 0.04 -1.27 -2.79 116.94 114.83 2wey h PHE 696 Ca 0.11 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 2wey h PHE 696 Cb 0.73 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2wey h PHE 696 CO 0.04 0.17 -0.30 -1.49 -0.60 0.00 0.00 178.31 176.13 2wey h TRP 697 N 0.21 0.00 -0.42 -0.55 6.55 -0.41 -1.51 115.95 119.82 2wey h TRP 697 Ca 0.06 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.80 2wey h TRP 697 Cb 0.01 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.29 2wey h TRP 697 CO -0.06 0.30 -0.16 0.00 -1.05 0.00 0.00 178.44 177.48 2wey h ALA 698 N 1.70 0.92 -0.10 1.49 0.00 -1.09 -2.87 119.26 119.31 2wey h ALA 698 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2wey h ALA 698 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wey h ALA 698 CO 0.04 0.62 -0.49 1.49 0.00 0.00 0.00 179.25 180.91 2wey h GLU 699 N 0.71 0.25 0.00 0.00 4.81 -1.04 -3.12 114.58 116.20 2wey h GLU 699 Ca 0.11 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2wey h GLU 699 Cb 0.66 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2wey h GLU 699 CO 0.05 0.69 -0.57 0.78 -0.73 0.00 0.00 179.01 179.24 2wey h GLY 700 N 1.32 0.00 2.00 1.92 0.00 -1.21 -3.15 103.07 103.95 2wey h GLY 700 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 2wey h GLY 700 CO 0.08 0.00 -0.78 -0.55 0.00 0.00 0.00 176.54 175.29 2wey h ASP 701 N 0.00 0.00 0.50 0.19 3.32 -1.46 -2.59 116.42 116.38 2wey h ASP 701 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wey h ASP 701 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2wey h ASP 701 CO 0.07 0.78 0.00 -0.62 -1.72 0.00 0.00 179.24 177.75 2wey n GLU 702 N -3.45 0.04 -0.10 3.56 -0.58 -1.19 -0.22 120.64 118.71 2wey n GLU 702 Ca 0.00 0.31 -0.21 0.00 -0.42 0.00 0.00 57.16 56.84 2wey n GLU 702 Cb 0.80 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.97 2wey n GLU 702 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2wey h MET 703 N 0.00 0.00 -0.84 3.49 2.86 -1.56 -3.34 114.93 115.55 2wey h MET 703 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 2wey h MET 703 Cb 0.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2wey h MET 703 CO 0.00 0.95 0.55 0.87 1.06 0.00 0.00 176.91 180.34 2wey h LYS 704 N -1.00 0.55 -0.58 1.72 1.57 -0.86 0.53 116.57 118.50 2wey h LYS 704 Ca -0.33 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 2wey h LYS 704 Cb 1.27 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 2wey h LYS 704 CO -0.20 0.36 0.35 0.87 -0.57 0.00 0.00 179.45 180.26 2wey h LYS 705 N 0.56 0.67 0.00 3.15 1.57 -0.77 -1.41 116.57 120.35 2wey h LYS 705 Ca 0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2wey h LYS 705 Cb 0.81 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wey h LYS 705 CO -0.17 0.45 0.00 -0.07 -0.57 0.00 0.00 179.45 179.09 2wey h LEU 706 N 0.69 0.00 0.00 2.94 3.38 -1.33 -3.47 115.31 117.52 2wey h LEU 706 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2wey h LEU 706 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wey h LEU 706 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2wey n GLY 707 N 0.56 1.55 3.64 0.83 0.00 -0.08 -5.11 105.19 106.58 2wey n GLY 707 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wey n GLY 707 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wey s ILE 708 N -2.00 4.02 -0.25 -0.61 1.01 0.17 -4.91 121.20 118.63 2wey s ILE 708 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 2wey s ILE 708 Cb 0.00 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2wey s ILE 708 CO 0.00 0.55 0.57 -1.58 0.00 0.00 0.00 174.94 174.48 2wey s GLN 709 N -1.00 4.10 0.70 2.79 2.00 -1.26 -1.90 119.66 125.09 2wey s GLN 709 Ca 0.14 0.44 -0.11 0.00 -2.00 0.00 0.00 55.36 53.83 2wey s GLN 709 Cb -0.11 -3.64 0.01 0.00 0.80 0.00 0.00 33.01 30.07 2wey s GLN 709 CO 0.04 -0.35 1.06 -1.25 -0.50 0.00 0.00 175.29 174.29 2wey s PRO 710 N 2.31 2.91 0.44 1.67 0.04 -1.26 -5.03 135.00 136.08 2wey s PRO 710 Ca 0.24 0.81 -0.25 0.00 0.04 0.00 0.00 61.00 61.84 2wey s PRO 710 Cb -0.16 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2wey s PRO 710 CO 0.09 -1.08 1.32 0.96 0.04 0.00 0.00 177.00 178.33 2wey s ILE 711 N -3.12 2.50 0.65 0.56 -4.36 -1.26 -4.87 121.20 111.30 2wey s ILE 711 Ca 0.58 0.43 0.23 0.00 -0.26 0.00 0.00 60.65 61.63 2wey s ILE 711 Cb -0.13 -3.24 0.23 0.00 1.25 0.00 0.00 42.46 40.57 2wey s ILE 711 CO 0.54 0.05 1.71 -0.65 0.24 0.00 0.00 174.94 176.83 2wey h PRO 712 N 2.39 0.00 -0.16 0.37 0.11 -1.95 0.16 132.00 132.92 2wey h PRO 712 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2wey h PRO 712 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2wey h PRO 712 CO 0.61 0.00 0.00 1.98 -0.21 0.00 0.00 178.00 180.39 2wey h MET 713 N 0.00 0.28 -1.37 1.05 4.05 -1.92 -3.23 114.93 113.80 2wey h MET 713 Ca 0.00 -0.09 -0.41 0.00 -0.28 0.00 0.00 59.70 58.92 2wey h MET 713 Cb 0.96 -0.03 -0.18 0.00 -0.80 0.00 0.00 31.60 31.55 2wey h MET 713 CO 0.00 0.49 0.54 -1.33 0.23 0.00 0.00 176.91 176.84 2wey n MET 714 N -4.75 2.03 -3.93 0.39 2.81 0.57 -4.73 117.12 109.51 2wey n MET 714 Ca -0.05 -2.02 -0.29 0.00 -1.81 0.00 0.00 57.70 53.53 2wey n MET 714 Cb 0.21 -1.79 -0.16 0.00 -0.71 0.00 0.00 33.22 30.77 2wey n MET 714 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2wey s ASP 715 N -0.36 3.12 0.29 7.83 -1.08 -1.22 -3.93 116.67 121.31 2wey s ASP 715 Ca 0.40 -0.78 0.25 0.00 -0.52 0.00 0.00 52.55 51.89 2wey s ASP 715 Cb 0.31 -1.06 0.98 0.00 -1.46 0.00 0.00 42.92 41.70 2wey s ASP 715 CO -0.00 -0.17 1.75 0.08 0.52 0.00 0.00 175.17 177.35 2wey h ARG 716 N 8.05 0.00 -0.14 4.34 0.11 -1.88 -2.32 114.38 122.54 2wey h ARG 716 Ca -0.25 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.61 2wey h ARG 716 Cb 1.10 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.19 2wey h ARG 716 CO 0.43 0.00 -0.77 -0.44 0.10 0.00 0.00 179.97 179.29 2wey h ASP 717 N 0.00 0.84 -1.12 0.08 3.45 -1.95 -3.33 116.42 114.39 2wey h ASP 717 Ca 0.00 -0.55 -0.52 0.00 0.43 0.00 0.00 57.03 56.39 2wey h ASP 717 Cb 0.47 -0.25 -0.19 0.00 -0.56 0.00 0.00 39.33 38.80 2wey h ASP 717 CO 0.00 1.34 0.49 0.29 -1.57 0.00 0.00 179.24 179.80 2wey n LYS 718 N -3.91 2.39 -0.06 3.56 5.02 -0.87 -4.60 118.16 119.69 2wey n LYS 718 Ca -0.07 -2.44 -0.08 0.00 -2.02 0.00 0.00 58.31 53.70 2wey n LYS 718 Cb 0.74 -2.11 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 2wey n LYS 718 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2wey h LYS 719 N 2.81 0.70 -1.05 1.97 1.57 -1.68 -3.28 116.57 117.60 2wey h LYS 719 Ca 0.41 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wey h LYS 719 Cb 0.65 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2wey h LYS 719 CO 0.96 0.91 0.00 -0.40 -0.57 0.00 0.00 179.45 180.35 2wey n ASP 720 N -4.08 1.84 -0.27 0.86 5.75 -1.26 -2.32 116.55 117.07 2wey n ASP 720 Ca -0.01 -1.61 0.02 0.00 -0.01 0.00 0.00 54.79 53.18 2wey n ASP 720 Cb 0.47 -0.40 0.03 0.00 -1.03 0.00 0.00 41.12 40.19 2wey n ASP 720 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wey n GLU 721 N 0.42 0.57 -0.05 0.11 1.02 -1.24 -4.85 120.64 116.62 2wey n GLU 721 Ca 0.00 -1.35 -0.14 0.00 -0.02 0.00 0.00 57.16 55.65 2wey n GLU 721 Cb 0.33 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.89 2wey n GLU 721 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wey h VAL 722 N 4.00 1.36 -0.59 2.62 2.07 -1.70 -2.36 116.25 121.65 2wey h VAL 722 Ca 0.00 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2wey h VAL 722 Cb 1.16 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 2wey h VAL 722 CO 0.00 0.42 0.22 -0.65 0.02 0.00 0.00 177.57 177.59 2wey h PRO 723 N -0.02 0.86 0.04 1.57 0.11 -1.88 0.57 132.00 133.25 2wey h PRO 723 Ca 0.01 -0.14 0.01 0.00 0.11 0.00 0.00 66.00 66.00 2wey h PRO 723 Cb 0.77 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 2wey h PRO 723 CO 0.05 0.72 -0.39 0.37 -0.21 0.00 0.00 178.00 178.54 2wey h GLN 724 N 0.85 -0.50 0.00 1.05 5.75 -1.91 0.19 115.11 120.54 2wey h GLN 724 Ca 0.20 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 2wey h GLN 724 Cb 0.18 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 2wey h GLN 724 CO -0.02 -0.33 -0.13 0.78 -2.65 0.00 0.00 178.83 176.48 2wey h GLY 725 N -0.51 0.00 0.95 2.39 0.00 -0.90 -2.00 103.07 102.99 2wey h GLY 725 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2wey h GLY 725 CO -0.24 0.00 -0.26 1.46 0.00 0.00 0.00 176.54 177.51 2wey h GLN 726 N 0.00 0.68 -0.80 4.80 1.08 0.53 -2.29 115.11 119.10 2wey h GLN 726 Ca -0.00 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2wey h GLN 726 Cb 0.28 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2wey h GLN 726 CO 0.02 0.96 0.49 1.25 -0.95 0.00 0.00 178.83 180.59 2wey h LEU 727 N 0.42 0.96 -0.16 1.46 5.85 0.08 -2.07 115.31 121.86 2wey h LEU 727 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2wey h LEU 727 Cb 0.82 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2wey h LEU 727 CO 0.07 0.74 0.05 1.23 -0.34 0.00 0.00 178.44 180.18 2wey h GLY 728 N 1.10 0.27 1.04 3.75 0.00 -1.42 -2.69 103.07 105.11 2wey h GLY 728 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2wey h GLY 728 CO -0.06 0.15 0.42 -2.75 0.00 0.00 0.00 176.54 174.31 2wey h PHE 729 N 0.07 1.22 -0.32 5.60 3.57 -1.27 0.39 116.94 126.20 2wey h PHE 729 Ca 0.05 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2wey h PHE 729 Cb 0.23 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2wey h PHE 729 CO 0.00 0.87 0.12 1.88 -2.23 0.00 0.00 178.31 178.96 2wey h TYR 730 N 1.21 0.23 -0.23 0.41 -1.99 -1.34 0.48 116.97 115.74 2wey h TYR 730 Ca 0.30 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.94 2wey h TYR 730 Cb 0.10 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.77 2wey h TYR 730 CO 0.01 0.11 -0.26 -0.91 -0.00 0.00 0.00 178.16 177.10 2wey h ASN 731 N 0.27 0.62 0.42 3.88 2.35 -1.10 0.36 115.58 122.39 2wey h ASN 731 Ca 0.14 -0.49 -0.31 0.00 -0.55 0.00 0.00 56.30 55.09 2wey h ASN 731 Cb 0.10 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2wey h ASN 731 CO -0.13 0.99 -1.45 0.00 -1.65 0.00 0.00 177.43 175.19 2wey h ALA 732 N 0.65 0.06 0.00 -0.83 0.00 -0.91 -3.41 119.26 114.83 2wey h ALA 732 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2wey h ALA 732 Cb 0.83 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wey h ALA 732 CO 0.06 0.93 -0.36 0.28 0.00 0.00 0.00 179.25 180.16 2wey n VAL 733 N -3.58 1.32 0.37 0.00 0.31 0.09 -4.75 118.33 112.10 2wey n VAL 733 Ca -0.15 0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 64.32 2wey n VAL 733 Cb 1.06 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 32.04 2wey n VAL 733 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wey h ALA 734 N -0.37 -0.92 0.02 3.52 0.00 -1.15 -2.84 119.26 117.52 2wey h ALA 734 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2wey h ALA 734 Cb 0.36 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2wey h ALA 734 CO 0.00 -0.97 -0.27 0.82 0.00 0.00 0.00 179.25 178.83 2wey h ILE 735 N -1.02 0.39 -0.66 0.00 1.08 -0.52 -1.50 117.51 115.28 2wey h ILE 735 Ca -0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2wey h ILE 735 Cb 0.73 0.39 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 2wey h ILE 735 CO 0.15 0.00 0.38 -0.65 -0.69 0.00 0.00 178.15 177.34 2wey h PRO 736 N -0.43 0.69 -0.27 2.37 0.11 -1.78 0.27 132.00 132.97 2wey h PRO 736 Ca 0.06 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.18 2wey h PRO 736 Cb 0.50 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 2wey h PRO 736 CO -0.22 0.46 -0.07 0.00 -0.21 0.00 0.00 178.00 177.96 2wey h TYR 738 N -0.00 0.76 0.34 0.00 0.99 -0.99 -2.86 116.97 115.20 2wey h TYR 738 Ca 0.13 -0.32 -0.00 0.00 2.00 0.00 0.00 58.73 60.54 2wey h TYR 738 Cb 0.20 -0.12 -0.03 0.00 1.00 0.00 0.00 36.73 37.78 2wey h TYR 738 CO -0.27 1.10 -0.41 1.15 -0.00 0.00 0.00 178.16 179.73 2wey h THR 739 N 0.40 0.17 -0.96 -2.88 2.02 -0.43 0.31 112.91 111.55 2wey h THR 739 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2wey h THR 739 Cb 1.31 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 2wey h THR 739 CO 0.13 0.00 0.62 0.74 0.37 0.00 0.00 175.52 177.39 2wey h THR 740 N -0.79 1.08 -0.33 3.16 2.02 -0.88 -0.79 112.91 116.37 2wey h THR 740 Ca -0.02 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 2wey h THR 740 Cb 0.73 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2wey h THR 740 CO -0.11 0.20 -0.05 0.25 0.37 0.00 0.00 175.52 176.18 2wey h LEU 741 N 1.11 0.62 -1.47 2.58 5.85 -1.21 -2.55 115.31 120.24 2wey h LEU 741 Ca 0.41 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2wey h LEU 741 Cb 0.18 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2wey h LEU 741 CO -0.16 0.82 0.45 0.74 -0.34 0.00 0.00 178.44 179.95 2wey h THR 742 N 0.41 0.96 -0.48 1.05 2.02 0.47 0.15 112.91 117.49 2wey h THR 742 Ca 0.09 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 2wey h THR 742 Cb 0.53 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2wey h THR 742 CO 0.03 0.11 -0.03 1.56 0.37 0.00 0.00 175.52 177.56 2wey h GLN 743 N 0.62 0.87 0.17 6.66 4.20 -0.83 -3.03 115.11 123.77 2wey h GLN 743 Ca 0.31 -0.29 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 2wey h GLN 743 Cb 0.40 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2wey h GLN 743 CO -0.10 0.92 -1.58 0.82 -0.67 0.00 0.00 178.83 178.22 2wey h ILE 744 N 0.72 1.12 -3.08 2.54 2.04 -1.02 -3.40 117.51 116.44 2wey h ILE 744 Ca 0.13 -2.69 -0.62 0.00 1.00 0.00 0.00 64.86 62.68 2wey h ILE 744 Cb 0.55 2.84 -0.41 0.00 -0.74 0.00 0.00 36.82 39.06 2wey h ILE 744 CO 0.03 0.84 -0.68 -0.76 0.00 0.00 0.00 178.15 177.57 2wey s LEU 745 N -7.24 3.63 0.35 1.44 1.43 -0.01 -5.01 118.68 113.26 2wey s LEU 745 Ca -0.11 -3.10 0.13 0.00 -1.03 0.00 0.00 54.13 50.02 2wey s LEU 745 Cb 0.06 -1.32 0.97 0.00 0.03 0.00 0.00 46.19 45.92 2wey s LEU 745 CO 0.88 -0.20 1.74 -0.65 0.23 0.00 0.00 176.35 178.35 2wey h PRO 746 N 6.22 0.49 0.00 1.29 0.11 -1.75 -1.05 132.00 137.31 2wey h PRO 746 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wey h PRO 746 Cb 0.87 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2wey h PRO 746 CO 0.60 0.33 0.00 -1.35 -0.21 0.00 0.00 178.00 177.36 2wey h PRO 747 N 0.51 0.00 0.00 1.05 0.11 -1.88 -1.80 132.00 129.99 2wey h PRO 747 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 2wey h PRO 747 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2wey h PRO 747 CO -0.41 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.63 2wey n THR 748 N -2.57 0.00 -0.28 -1.15 -2.24 -0.40 -4.19 114.28 103.46 2wey n THR 748 Ca -0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2wey n THR 748 Cb 0.08 -0.35 0.23 0.00 -2.10 0.00 0.00 70.33 68.18 2wey n THR 748 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wey h GLU 749 N 0.00 0.44 -0.24 -0.78 4.81 -1.53 -2.69 114.58 114.59 2wey h GLU 749 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2wey h GLU 749 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2wey h GLU 749 CO 0.00 0.29 0.26 -1.35 -0.73 0.00 0.00 179.01 177.49 2wey h PRO 750 N 0.45 0.00 0.54 0.92 0.11 -1.87 -1.16 132.00 130.99 2wey h PRO 750 Ca 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.55 2wey h PRO 750 Cb 0.75 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.87 2wey h PRO 750 CO -0.44 0.00 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.02 2wey h LEU 751 N 0.00 -0.61 -0.82 2.35 3.38 -1.83 0.27 115.31 118.06 2wey h LEU 751 Ca 0.11 -0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.23 2wey h LEU 751 Cb 0.64 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 2wey h LEU 751 CO -0.00 -0.34 0.29 0.25 0.09 0.00 0.00 178.44 178.73 2wey h LEU 752 N -0.88 0.18 -0.16 1.67 5.85 -1.39 0.16 115.31 120.73 2wey h LEU 752 Ca -0.07 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2wey h LEU 752 Cb 0.61 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2wey h LEU 752 CO 0.12 -0.01 0.08 0.50 -0.34 0.00 0.00 178.44 178.80 2wey h LYS 753 N 0.35 0.23 -0.13 1.25 3.11 -1.14 -1.74 116.57 118.49 2wey h LYS 753 Ca 0.48 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 58.19 2wey h LYS 753 Cb 0.86 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.03 2wey h LYS 753 CO -0.51 0.25 -0.36 0.00 -2.81 0.00 0.00 179.45 176.01 2wey h ALA 754 N 0.97 1.14 0.00 5.00 0.00 -0.16 -1.97 119.26 124.24 2wey h ALA 754 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wey h ALA 754 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wey h ALA 754 CO -0.01 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 179.80 2wey h ARG 756 N -0.17 0.49 -0.58 0.00 3.08 -1.14 0.17 114.38 116.23 2wey h ARG 756 Ca -0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wey h ARG 756 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2wey h ARG 756 CO 0.00 0.32 0.38 -0.44 -1.07 0.00 0.00 179.97 179.17 2wey h ASP 757 N 0.51 0.67 0.29 7.04 3.32 -1.33 -0.90 116.42 126.01 2wey h ASP 757 Ca 0.23 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2wey h ASP 757 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wey h ASP 757 CO -0.16 0.48 -0.34 0.78 -1.72 0.00 0.00 179.24 178.28 2wey h ASN 758 N 0.79 0.08 0.36 6.45 2.35 -0.83 -2.59 115.58 122.19 2wey h ASN 758 Ca 0.21 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2wey h ASN 758 Cb -0.09 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wey h ASN 758 CO -0.05 0.43 -0.17 0.25 -1.65 0.00 0.00 177.43 176.24 2wey h LEU 759 N 0.07 -0.41 -1.81 1.61 6.46 0.17 -2.36 115.31 119.05 2wey h LEU 759 Ca 0.01 -0.08 0.31 0.00 -0.12 0.00 0.00 57.88 58.00 2wey h LEU 759 Cb 0.65 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 2wey h LEU 759 CO 0.05 -0.17 0.77 -1.28 -0.62 0.00 0.00 178.44 177.19 2wey h SER 760 N -0.64 0.13 -0.05 1.25 0.87 -1.07 -1.22 113.55 112.82 2wey h SER 760 Ca -0.05 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2wey h SER 760 Cb 0.46 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2wey h SER 760 CO 0.08 0.02 -0.06 1.56 -0.53 0.00 0.00 176.83 177.90 2wey h GLN 761 N 0.11 0.12 -0.58 2.24 1.08 -1.04 -1.76 115.11 115.29 2wey h GLN 761 Ca 0.56 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.66 2wey h GLN 761 Cb 1.97 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.38 2wey h GLN 761 CO -0.09 0.61 0.25 -1.49 -0.95 0.00 0.00 178.83 177.16 2wey h TRP 762 N -0.35 0.85 -0.64 2.96 4.06 -0.93 -1.79 115.95 120.11 2wey h TRP 762 Ca 0.01 -0.05 0.11 0.00 2.06 0.00 0.00 58.89 61.01 2wey h TRP 762 Cb 0.59 -0.26 -0.12 0.00 -1.00 0.00 0.00 29.16 28.38 2wey h TRP 762 CO 0.10 0.67 -0.36 0.93 -3.56 0.00 0.00 178.44 176.22 2wey h GLU 763 N 0.79 -0.15 0.00 0.49 5.08 -1.23 -0.24 114.58 119.31 2wey h GLU 763 Ca 0.19 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2wey h GLU 763 Cb 0.16 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2wey h GLU 763 CO -0.02 -0.10 -0.26 0.87 -1.00 0.00 0.00 179.01 178.50 2wey h LYS 764 N -0.16 0.00 -0.17 2.33 1.57 -0.88 -0.70 116.57 118.56 2wey h LYS 764 Ca 0.23 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2wey h LYS 764 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2wey h LYS 764 CO -0.72 0.26 -0.11 0.28 -0.57 0.00 0.00 179.45 178.60 2wey h VAL 765 N 0.00 1.32 -0.43 0.50 2.07 -0.53 0.97 116.25 120.15 2wey h VAL 765 Ca -0.00 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2wey h VAL 765 Cb 0.48 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2wey h VAL 765 CO 0.03 0.35 0.28 0.40 0.02 0.00 0.00 177.57 178.66 2wey h ILE 766 N 0.05 1.12 -0.01 4.57 2.04 -0.47 -2.22 117.51 122.59 2wey h ILE 766 Ca 0.04 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2wey h ILE 766 Cb 0.60 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2wey h ILE 766 CO 0.03 0.11 0.00 0.54 0.00 0.00 0.00 178.15 178.83 2wey n ARG 767 N -4.78 1.13 -2.09 2.37 1.74 -0.33 -4.95 116.66 109.75 2wey n ARG 767 Ca 0.01 -0.19 -0.02 0.00 -0.77 0.00 0.00 57.85 56.88 2wey n ARG 767 Cb 0.03 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 2wey n ARG 767 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wey n GLY 768 N 1.00 -0.29 0.80 -0.13 0.00 -0.66 -5.02 105.19 100.89 2wey n GLY 768 Ca 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wey n GLY 768 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wey n GLU 769 N -1.64 0.00 0.00 1.61 0.00 0.25 -5.02 120.64 115.84 2wey n GLU 769 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 57.16 56.21 2wey n GLU 769 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 31.44 31.88 2wey n GLU 769 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22