#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqz s LEU 454 N 0.00 4.38 0.60 1.20 1.43 -1.26 -4.98 118.68 120.04 3hqz s LEU 454 Ca 0.00 2.61 -0.18 0.00 -1.03 0.00 0.00 54.13 55.53 3hqz s LEU 454 Cb 0.00 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 3hqz s LEU 454 CO 0.00 -0.76 0.93 -2.65 0.23 0.00 0.00 176.35 174.10 3hqz n PRO 455 N 3.32 0.87 -0.27 1.29 -0.02 -1.26 -4.76 135.00 134.18 3hqz n PRO 455 Ca 0.11 0.34 0.01 0.00 -2.02 0.00 0.00 63.50 61.94 3hqz n PRO 455 Cb 0.40 -2.13 0.14 0.00 -0.02 0.00 0.00 33.50 31.89 3hqz n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqz h ALA 456 N 0.47 1.06 -0.65 3.55 0.00 -1.99 -1.13 119.26 120.56 3hqz h ALA 456 Ca -0.48 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3hqz h ALA 456 Cb 1.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hqz h ALA 456 CO 0.51 0.05 0.43 -0.09 0.00 0.00 0.00 179.25 180.15 3hqz h ARG 457 N 0.72 0.84 -0.22 0.00 2.43 -2.00 -2.15 114.38 114.01 3hqz h ARG 457 Ca 0.36 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3hqz h ARG 457 Cb 0.31 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3hqz h ARG 457 CO -0.23 0.55 -0.05 0.82 -1.51 0.00 0.00 179.97 179.55 3hqz h ILE 458 N 0.86 1.28 -0.97 1.20 2.04 -1.78 0.58 117.51 120.72 3hqz h ILE 458 Ca 0.25 -1.03 0.19 0.00 1.00 0.00 0.00 64.86 65.27 3hqz h ILE 458 Cb -0.07 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.43 3hqz h ILE 458 CO -0.07 0.31 0.61 0.00 0.00 0.00 0.00 178.15 179.01 3hqz h ARG 460 N 0.68 -0.15 0.00 0.00 2.43 -1.21 -3.39 114.38 112.74 3hqz h ARG 460 Ca 0.54 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.70 3hqz h ARG 460 Cb 0.95 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3hqz h ARG 460 CO -0.30 0.27 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.90 3hqz h ASP 461 N -0.94 0.00 -0.04 -3.80 3.32 -0.55 -3.06 116.42 111.35 3hqz h ASP 461 Ca -0.02 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hqz h ASP 461 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3hqz h ASP 461 CO 0.03 0.08 0.07 -0.29 -1.72 0.00 0.00 179.24 177.41 3hqz h ILE 462 N 0.00 0.29 0.00 0.35 2.10 -0.86 -1.26 117.51 118.13 3hqz h ILE 462 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hqz h ILE 462 Cb 0.89 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 3hqz h ILE 462 CO 0.01 0.00 -0.02 -0.62 -1.08 0.00 0.00 178.15 176.44 3hqz n GLU 463 N -3.50 0.18 -2.68 2.19 -0.58 -1.16 -4.80 120.64 110.29 3hqz n GLU 463 Ca -0.02 0.14 -0.41 0.00 -0.42 0.00 0.00 57.16 56.46 3hqz n GLU 463 Cb 0.15 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 3hqz n GLU 463 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hqz s LEU 464 N -4.03 4.56 0.29 -4.62 1.43 -0.47 -4.95 118.68 110.88 3hqz s LEU 464 Ca 0.12 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.17 3hqz s LEU 464 Cb 0.14 -3.60 0.55 0.00 0.03 0.00 0.00 46.19 43.31 3hqz s LEU 464 CO 0.58 -0.02 1.87 -0.26 0.23 0.00 0.00 176.35 178.75 3hqz h PHE 465 N 4.85 1.10 -0.28 0.29 0.04 -1.87 -2.37 116.94 118.69 3hqz h PHE 465 Ca -0.44 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.36 3hqz h PHE 465 Cb 1.21 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3hqz h PHE 465 CO 0.63 0.50 0.00 -2.39 -0.60 0.00 0.00 178.31 176.44 3hqz n HIS 466 N -4.55 0.75 -1.63 -0.55 1.44 -1.26 -4.89 115.22 104.53 3hqz n HIS 466 Ca 0.17 -0.28 -0.43 0.00 -2.01 0.00 0.00 57.72 55.16 3hqz n HIS 466 Cb 0.29 -0.18 -0.00 0.00 0.12 0.00 0.00 29.99 30.21 3hqz n HIS 466 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3hqz n PHE 467 N 0.34 1.54 -5.03 -1.40 7.35 -0.90 -4.64 117.46 114.72 3hqz n PHE 467 Ca 0.12 0.61 -0.32 0.00 -0.76 0.00 0.00 57.45 57.10 3hqz n PHE 467 Cb 0.53 -2.29 -0.15 0.00 0.35 0.00 0.00 39.48 37.92 3hqz n PHE 467 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3hqz s ASP 468 N -0.54 3.63 0.00 -2.13 2.15 -1.26 -5.04 116.67 113.48 3hqz s ASP 468 Ca 0.59 -0.34 0.31 0.00 0.43 0.00 0.00 52.55 53.54 3hqz s ASP 468 Cb -0.62 -0.89 1.68 0.00 -0.30 0.00 0.00 42.92 42.79 3hqz s ASP 468 CO 0.60 0.29 2.11 2.30 -0.17 0.00 0.00 175.17 180.30 3hqz n ILE 469 N 2.69 0.00 0.00 4.11 -5.35 -1.26 -5.02 119.36 114.53 3hqz n ILE 469 Ca -0.17 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 3hqz n ILE 469 Cb 0.52 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 3hqz n ILE 469 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hqz n GLY 470 N 1.11 -1.82 0.16 3.28 0.00 -1.26 -4.67 105.19 101.99 3hqz n GLY 470 Ca 0.20 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.84 3hqz n GLY 470 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hqz n PRO 471 N -2.10 0.88 -2.93 1.61 -0.04 -1.26 -4.76 135.00 126.39 3hqz n PRO 471 Ca 0.00 -0.32 -0.44 0.00 -0.04 0.00 0.00 63.50 62.70 3hqz n PRO 471 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3hqz n PRO 471 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hqz s PHE 472 N -2.34 2.89 0.32 0.54 0.08 -1.26 -4.91 117.98 113.30 3hqz s PHE 472 Ca 0.32 -0.92 -0.00 0.00 0.12 0.00 0.00 56.93 56.45 3hqz s PHE 472 Cb 0.20 -4.23 0.53 0.00 -0.57 0.00 0.00 43.02 38.95 3hqz s PHE 472 CO 0.44 -1.52 1.99 0.93 -0.10 0.00 0.00 175.22 176.96 3hqz h GLU 473 N 9.23 0.97 0.00 0.44 5.08 -1.95 -2.04 114.58 126.32 3hqz h GLU 473 Ca -0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3hqz h GLU 473 Cb 1.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hqz h GLU 473 CO 1.14 0.65 0.00 -2.95 -1.00 0.00 0.00 179.01 176.84 3hqz h ASN 474 N 1.00 0.00 1.44 1.42 -0.00 -2.00 -2.35 115.58 115.09 3hqz h ASN 474 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.54 3hqz h ASN 474 Cb -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.21 3hqz h ASN 474 CO -0.06 0.00 -0.57 0.24 -0.00 0.00 0.00 177.43 177.04 3hqz h MET 475 N 0.00 0.00 -0.45 4.14 2.86 -1.78 -3.39 114.93 116.31 3hqz h MET 475 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hqz h MET 475 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3hqz h MET 475 CO 0.00 0.08 0.19 -1.49 1.06 0.00 0.00 176.91 176.75 3hqz h TRP 476 N 0.00 0.67 -0.65 -0.22 6.55 -1.48 -1.88 115.95 118.93 3hqz h TRP 476 Ca -0.01 -0.05 0.11 0.00 0.95 0.00 0.00 58.89 59.89 3hqz h TRP 476 Cb 1.09 -0.20 -0.08 0.00 -0.86 0.00 0.00 29.16 29.11 3hqz h TRP 476 CO 0.00 0.57 0.24 -1.35 -1.05 0.00 0.00 178.44 176.85 3hqz h PRO 477 N 0.58 0.39 -0.44 0.49 0.11 -1.76 -0.27 132.00 131.10 3hqz h PRO 477 Ca 0.15 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 3hqz h PRO 477 Cb 0.17 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3hqz h PRO 477 CO -0.01 0.26 -0.04 0.78 -0.21 0.00 0.00 178.00 178.77 3hqz h GLY 478 N 0.40 0.81 0.96 -0.55 0.00 -1.74 -0.07 103.07 102.88 3hqz h GLY 478 Ca 0.34 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3hqz h GLY 478 CO -0.35 0.51 0.30 -2.22 0.00 0.00 0.00 176.54 174.79 3hqz h ILE 479 N 0.69 1.09 -0.12 2.60 2.04 -0.81 -0.04 117.51 122.97 3hqz h ILE 479 Ca 0.13 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3hqz h ILE 479 Cb 0.49 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3hqz h ILE 479 CO 0.03 0.11 0.02 0.15 0.00 0.00 0.00 178.15 178.46 3hqz h PHE 480 N 0.61 0.20 -0.63 1.37 3.57 -0.58 -1.94 116.94 119.54 3hqz h PHE 480 Ca 0.18 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.74 3hqz h PHE 480 Cb -0.04 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 3hqz h PHE 480 CO -0.05 0.38 0.27 0.28 -2.23 0.00 0.00 178.31 176.96 3hqz h VAL 481 N -0.04 0.80 -0.35 1.41 2.07 -0.90 -0.35 116.25 118.90 3hqz h VAL 481 Ca 0.04 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hqz h VAL 481 Cb 0.29 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3hqz h VAL 481 CO 0.00 0.09 0.15 0.22 0.02 0.00 0.00 177.57 178.05 3hqz h TYR 482 N 0.47 0.28 -0.54 1.57 3.20 -0.90 0.16 116.97 121.20 3hqz h TYR 482 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3hqz h TYR 482 Cb 0.36 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3hqz h TYR 482 CO -0.15 0.14 0.33 0.52 -1.64 0.00 0.00 178.16 177.36 3hqz h MET 483 N 0.32 0.74 -0.08 1.82 2.86 -0.72 -0.68 114.93 119.18 3hqz h MET 483 Ca 0.15 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3hqz h MET 483 Cb 0.09 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3hqz h MET 483 CO -0.12 0.54 -0.17 0.82 1.06 0.00 0.00 176.91 179.04 3hqz h ILE 484 N 0.73 0.58 -0.99 -1.22 1.08 -0.69 -1.46 117.51 115.54 3hqz h ILE 484 Ca 0.19 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.71 3hqz h ILE 484 Cb -0.01 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 3hqz h ILE 484 CO -0.04 0.00 0.64 0.45 -0.69 0.00 0.00 178.15 178.52 3hqz h HIS 485 N -0.23 1.20 -0.08 1.37 3.86 -0.74 0.49 115.15 121.02 3hqz h HIS 485 Ca 0.08 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.14 3hqz h HIS 485 Cb 0.34 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3hqz h HIS 485 CO -0.26 0.67 -0.73 0.00 0.86 0.00 0.00 177.93 178.47 3hqz h ARG 486 N 1.22 0.41 0.08 2.45 3.08 -0.92 -1.01 114.38 119.69 3hqz h ARG 486 Ca 0.40 -0.34 -0.32 0.00 0.07 0.00 0.00 59.98 59.80 3hqz h ARG 486 Cb 0.06 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hqz h ARG 486 CO -0.14 0.97 -1.70 0.77 -1.07 0.00 0.00 179.97 178.81 3hqz h SER 487 N 0.28 0.27 0.00 7.04 0.02 -0.99 -3.41 113.55 116.76 3hqz h SER 487 Ca -0.03 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3hqz h SER 487 Cb 1.31 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hqz h SER 487 CO 0.13 1.42 -0.77 0.00 -1.14 0.00 0.00 176.83 176.46 3hqz n GLY 489 N 1.65 1.06 0.10 0.00 0.00 -0.38 -4.29 105.19 103.33 3hqz n GLY 489 Ca -0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.46 3hqz n GLY 489 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hqz n THR 490 N 1.15 0.60 1.18 2.61 -2.24 -1.25 -2.57 114.28 113.76 3hqz n THR 490 Ca 0.00 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 3hqz n THR 490 Cb 0.00 -0.67 0.34 0.00 -2.10 0.00 0.00 70.33 67.90 3hqz n THR 490 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hqz n SER 491 N -2.21 0.88 0.19 3.42 7.64 -1.26 -4.44 113.62 117.84 3hqz n SER 491 Ca 0.05 -0.72 -0.15 0.00 1.01 0.00 0.00 58.87 59.07 3hqz n SER 491 Cb 0.39 0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 3hqz n SER 491 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hqz s PHE 493 N -6.04 2.33 -0.03 0.00 0.08 -1.26 -5.03 117.98 108.03 3hqz s PHE 493 Ca -0.16 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 3hqz s PHE 493 Cb 0.06 -1.33 -0.06 0.00 -0.57 0.00 0.00 43.02 41.12 3hqz s PHE 493 CO 0.64 0.23 1.65 -2.00 -0.10 0.00 0.00 175.22 175.64 3hqz s GLU 494 N -1.62 4.19 0.24 0.44 2.56 -1.26 -4.92 118.70 118.33 3hqz s GLU 494 Ca 0.13 2.22 -0.06 0.00 0.00 0.00 0.00 54.97 57.26 3hqz s GLU 494 Cb -0.10 -3.90 0.43 0.00 2.00 0.00 0.00 34.13 32.56 3hqz s GLU 494 CO 0.04 -0.81 1.69 1.25 -0.56 0.00 0.00 175.26 176.87 3hqz h LEU 495 N 9.84 0.04 -0.17 2.70 5.85 -1.98 -0.88 115.31 130.71 3hqz h LEU 495 Ca -0.40 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hqz h LEU 495 Cb 1.18 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3hqz h LEU 495 CO 0.95 -0.01 0.09 -0.33 -0.34 0.00 0.00 178.44 178.80 3hqz h GLU 496 N 0.29 0.24 -0.35 1.25 5.08 -1.99 -0.22 114.58 118.88 3hqz h GLU 496 Ca 0.40 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 3hqz h GLU 496 Cb 0.65 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3hqz h GLU 496 CO -0.48 0.25 0.18 0.87 -1.00 0.00 0.00 179.01 178.83 3hqz h LYS 497 N 0.17 0.36 -0.26 2.33 1.57 -1.70 -1.40 116.57 117.63 3hqz h LYS 497 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hqz h LYS 497 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hqz h LYS 497 CO -0.01 0.24 0.17 1.25 -0.57 0.00 0.00 179.45 180.53 3hqz h LEU 498 N 0.37 0.29 -0.40 2.94 5.85 -1.01 -0.67 115.31 122.67 3hqz h LEU 498 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3hqz h LEU 498 Cb 0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3hqz h LEU 498 CO -0.09 0.21 0.23 0.00 -0.34 0.00 0.00 178.44 178.44 3hqz h ARG 500 N 0.53 0.29 0.03 0.00 2.43 -1.10 -1.96 114.38 114.60 3hqz h ARG 500 Ca 0.14 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3hqz h ARG 500 Cb 0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3hqz h ARG 500 CO -0.02 0.19 -0.12 0.35 -1.51 0.00 0.00 179.97 178.86 3hqz h PHE 501 N 0.30 -0.30 -0.86 2.20 3.57 -0.79 -1.72 116.94 119.36 3hqz h PHE 501 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3hqz h PHE 501 Cb 0.16 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 3hqz h PHE 501 CO -0.15 -0.18 0.54 0.82 -2.23 0.00 0.00 178.31 177.12 3hqz h ILE 502 N -0.21 1.09 -0.10 1.41 2.04 -0.97 -0.68 117.51 120.09 3hqz h ILE 502 Ca 0.03 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 3hqz h ILE 502 Cb 0.25 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3hqz h ILE 502 CO -0.10 0.19 -0.54 0.24 0.00 0.00 0.00 178.15 177.94 3hqz h MET 503 N 1.03 0.29 -0.11 2.37 2.86 -1.22 -1.21 114.93 118.94 3hqz h MET 503 Ca 0.36 -0.18 -0.15 0.00 -2.06 0.00 0.00 59.70 57.67 3hqz h MET 503 Cb 0.08 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3hqz h MET 503 CO -0.14 0.76 -0.57 0.77 1.06 0.00 0.00 176.91 178.79 3hqz h SER 504 N 0.23 0.39 0.28 1.22 0.02 -0.72 -2.47 113.55 112.49 3hqz h SER 504 Ca 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3hqz h SER 504 Cb 1.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3hqz h SER 504 CO 0.09 0.87 -0.13 0.58 -1.14 0.00 0.00 176.83 177.10 3hqz h VAL 505 N 0.26 0.76 -0.70 2.27 2.07 -0.90 -2.69 116.25 117.33 3hqz h VAL 505 Ca 0.00 -0.21 0.14 0.00 0.82 0.00 0.00 66.70 67.45 3hqz h VAL 505 Cb 1.08 0.88 -0.13 0.00 -1.52 0.00 0.00 31.29 31.60 3hqz h VAL 505 CO 0.09 0.05 -0.16 0.50 0.02 0.00 0.00 177.57 178.08 3hqz h LYS 506 N -0.48 0.01 -0.27 1.57 3.64 -1.27 -0.80 116.57 118.98 3hqz h LYS 506 Ca -0.04 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3hqz h LYS 506 Cb 0.36 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3hqz h LYS 506 CO 0.06 0.01 0.21 -0.22 -2.27 0.00 0.00 179.45 177.23 3hqz h LYS 507 N 0.01 0.00 -0.45 1.90 3.64 -1.28 -2.14 116.57 118.25 3hqz h LYS 507 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3hqz h LYS 507 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hqz h LYS 507 CO -0.71 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 176.56 3hqz n ASN 508 N -4.34 3.54 -4.83 4.20 3.02 -0.34 -4.83 115.26 111.68 3hqz n ASN 508 Ca 0.04 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.24 3hqz n ASN 508 Cb 0.36 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 3hqz n ASN 508 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hqz s TYR 509 N -1.38 3.60 0.28 3.10 1.51 -0.81 -1.06 117.35 122.59 3hqz s TYR 509 Ca 0.40 1.23 0.04 0.00 -1.01 0.00 0.00 57.07 57.73 3hqz s TYR 509 Cb 0.23 -2.51 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3hqz s TYR 509 CO 0.32 0.34 0.42 1.03 -1.11 0.00 0.00 175.55 176.55 3hqz s ARG 510 N -2.11 3.43 -1.44 -0.62 0.52 -1.26 -4.90 118.95 112.56 3hqz s ARG 510 Ca 0.42 -0.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.87 3hqz s ARG 510 Cb -0.15 -2.82 0.05 0.00 0.52 0.00 0.00 34.95 32.55 3hqz s ARG 510 CO 0.20 0.32 2.36 0.54 0.02 0.00 0.00 175.30 178.74 3hqz n ARG 511 N -1.54 3.49 -3.66 3.54 1.74 -1.26 -4.52 116.66 114.45 3hqz n ARG 511 Ca -0.07 -2.83 -0.20 0.00 -0.77 0.00 0.00 57.85 53.98 3hqz n ARG 511 Cb 0.57 -2.99 -0.02 0.00 -1.02 0.00 0.00 32.46 29.00 3hqz n ARG 511 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hqz s VAL 512 N 1.69 4.21 0.23 1.55 -7.23 -1.26 -5.05 120.40 114.54 3hqz s VAL 512 Ca 0.52 -1.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.53 3hqz s VAL 512 Cb 0.15 -3.45 0.19 0.00 0.56 0.00 0.00 36.38 33.83 3hqz s VAL 512 CO -0.06 -0.20 1.84 -0.65 -0.31 0.00 0.00 175.10 175.72 3hqz h PRO 513 N 1.05 1.22 0.00 4.82 0.11 -1.91 -3.42 132.00 133.86 3hqz h PRO 513 Ca -0.47 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.49 3hqz h PRO 513 Cb 1.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hqz h PRO 513 CO 0.56 0.90 -0.56 0.98 -0.21 0.00 0.00 178.00 179.67 3hqz n TYR 514 N -4.34 -0.13 -1.34 0.65 9.36 -1.26 -4.84 117.16 115.26 3hqz n TYR 514 Ca 0.09 0.02 -0.38 0.00 3.32 0.00 0.00 57.90 60.95 3hqz n TYR 514 Cb 0.11 0.07 -0.02 0.00 -0.63 0.00 0.00 39.34 38.87 3hqz n TYR 514 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3hqz n HIS 515 N -3.13 2.55 -4.23 2.98 8.25 -1.26 -4.37 115.22 116.00 3hqz n HIS 515 Ca 0.00 -2.74 -0.10 0.00 -0.26 0.00 0.00 57.72 54.61 3hqz n HIS 515 Cb 0.28 -2.30 -0.02 0.00 1.12 0.00 0.00 29.99 29.06 3hqz n HIS 515 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hqz n ASN 516 N 4.90 1.97 -0.36 0.41 0.23 -1.26 -4.62 115.26 116.52 3hqz n ASN 516 Ca 0.62 -1.76 0.04 0.00 -0.53 0.00 0.00 54.58 52.95 3hqz n ASN 516 Cb 0.28 0.20 0.19 0.00 -2.08 0.00 0.00 39.78 38.38 3hqz n ASN 516 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3hqz h TRP 517 N 1.14 1.15 -0.62 -2.53 -0.00 -1.88 -2.00 115.95 111.20 3hqz h TRP 517 Ca -0.13 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.78 3hqz h TRP 517 Cb 0.43 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.16 29.19 3hqz h TRP 517 CO 0.00 0.54 0.35 -0.22 -0.00 0.00 0.00 178.44 179.11 3hqz h LYS 518 N 1.08 0.86 -0.57 2.65 3.64 -1.96 -2.28 116.57 119.98 3hqz h LYS 518 Ca 0.45 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3hqz h LYS 518 Cb 0.29 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3hqz h LYS 518 CO -0.21 0.65 0.34 1.25 -2.27 0.00 0.00 179.45 179.20 3hqz h HIS 519 N 0.85 0.63 0.07 1.91 2.76 -1.62 -1.59 115.15 118.16 3hqz h HIS 519 Ca 0.22 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3hqz h HIS 519 Cb 0.03 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3hqz h HIS 519 CO -0.01 0.35 -0.08 0.00 -1.30 0.00 0.00 177.93 176.89 3hqz h ALA 520 N 1.26 -0.15 -0.37 5.26 0.00 -0.90 -0.15 119.26 124.22 3hqz h ALA 520 Ca 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3hqz h ALA 520 Cb 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hqz h ALA 520 CO -0.12 -0.60 -0.04 0.28 0.00 0.00 0.00 179.25 178.78 3hqz h VAL 521 N -0.17 1.22 -0.24 0.00 2.07 -1.38 -1.46 116.25 116.28 3hqz h VAL 521 Ca 0.01 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3hqz h VAL 521 Cb 0.17 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hqz h VAL 521 CO -0.03 0.32 0.05 0.74 0.02 0.00 0.00 177.57 178.67 3hqz h THR 522 N 0.57 1.22 -0.31 2.57 2.02 -0.95 0.10 112.91 118.13 3hqz h THR 522 Ca 0.11 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3hqz h THR 522 Cb 0.43 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3hqz h THR 522 CO 0.02 0.23 0.20 0.58 0.37 0.00 0.00 175.52 176.91 3hqz h VAL 523 N 0.21 1.09 -0.95 3.16 2.07 -0.94 -1.60 116.25 119.29 3hqz h VAL 523 Ca 0.07 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3hqz h VAL 523 Cb 0.29 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3hqz h VAL 523 CO 0.00 0.09 0.61 0.00 0.02 0.00 0.00 177.57 178.29 3hqz h ALA 524 N 1.10 1.48 -0.49 1.67 0.00 -1.09 -2.05 119.26 119.87 3hqz h ALA 524 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hqz h ALA 524 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hqz h ALA 524 CO -0.02 0.38 0.15 1.25 0.00 0.00 0.00 179.25 181.00 3hqz h HIS 525 N 1.08 0.79 -0.80 0.00 6.17 -0.24 -0.76 115.15 121.39 3hqz h HIS 525 Ca 0.41 -0.08 0.03 0.00 0.71 0.00 0.00 60.37 61.44 3hqz h HIS 525 Cb 0.20 -0.23 -0.05 0.00 2.52 0.00 0.00 27.41 29.86 3hqz h HIS 525 CO -0.00 0.69 0.51 0.00 0.71 0.00 0.00 177.93 179.84 3hqz h MET 527 N 1.00 0.45 -0.32 0.00 -1.53 -0.99 -1.26 114.93 112.29 3hqz h MET 527 Ca 0.31 -0.03 0.07 0.00 -3.44 0.00 0.00 59.70 56.61 3hqz h MET 527 Cb -0.01 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 30.87 3hqz h MET 527 CO -0.11 0.30 -0.11 -0.92 0.14 0.00 0.00 176.91 176.21 3hqz h TYR 528 N 0.47 -0.25 -0.65 1.39 3.20 -0.55 -0.68 116.97 119.90 3hqz h TYR 528 Ca 0.17 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3hqz h TYR 528 Cb 0.04 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3hqz h TYR 528 CO -0.08 -0.18 0.40 0.00 -1.64 0.00 0.00 178.16 176.66 3hqz h ALA 529 N 1.25 0.84 0.02 1.82 0.00 -0.66 0.93 119.26 123.45 3hqz h ALA 529 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hqz h ALA 529 Cb 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hqz h ALA 529 CO -0.35 0.16 -0.03 0.82 0.00 0.00 0.00 179.25 179.85 3hqz h ILE 530 N 0.79 0.93 -0.46 0.00 2.04 -0.89 -2.64 117.51 117.28 3hqz h ILE 530 Ca 0.26 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.09 3hqz h ILE 530 Cb 0.02 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3hqz h ILE 530 CO -0.10 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.15 3hqz h LEU 531 N -0.06 0.65 -1.65 1.44 3.38 -0.78 -2.19 115.31 116.09 3hqz h LEU 531 Ca 0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hqz h LEU 531 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hqz h LEU 531 CO -0.02 0.66 0.26 1.56 0.09 0.00 0.00 178.44 180.99 3hqz h GLN 532 N 0.60 0.46 -0.25 1.13 1.08 -0.84 -2.51 115.11 114.78 3hqz h GLN 532 Ca 0.15 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3hqz h GLN 532 Cb 0.22 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3hqz h GLN 532 CO -0.01 0.30 0.00 0.09 -0.95 0.00 0.00 178.83 178.26 3hqz n ASN 533 N -4.48 2.76 -2.59 1.46 3.02 -1.00 -4.20 115.26 110.23 3hqz n ASN 533 Ca 0.03 -1.89 -0.15 0.00 -0.03 0.00 0.00 54.58 52.55 3hqz n ASN 533 Cb 0.11 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3hqz n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hqz n ASN 534 N 1.06 2.60 -4.71 6.41 3.02 -0.86 -4.70 115.26 118.09 3hqz n ASN 534 Ca 0.18 -3.03 -0.43 0.00 -0.03 0.00 0.00 54.58 51.26 3hqz n ASN 534 Cb 0.51 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 3hqz n ASN 534 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hqz n ASN 535 N -0.24 3.24 0.00 6.41 2.85 -1.22 -2.37 115.26 123.92 3hqz n ASN 535 Ca 0.20 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.82 3hqz n ASN 535 Cb 0.77 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 40.28 3hqz n ASN 535 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hqz n GLY 536 N 1.99 1.19 0.14 8.20 0.00 -1.26 -4.90 105.19 110.55 3hqz n GLY 536 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3hqz n GLY 536 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hqz h LEU 537 N 0.00 0.66 -9.29 0.99 3.38 -1.85 -3.47 115.31 105.74 3hqz h LEU 537 Ca 0.00 -0.88 -0.67 0.00 0.09 0.00 0.00 57.88 56.42 3hqz h LEU 537 Cb 0.00 -0.22 -0.15 0.00 0.09 0.00 0.00 40.66 40.38 3hqz h LEU 537 CO 0.00 1.72 -0.65 -0.36 0.09 0.00 0.00 178.44 179.24 3hqz s PHE 538 N -2.59 3.05 0.80 1.13 0.08 -1.26 -5.11 117.98 114.08 3hqz s PHE 538 Ca -0.13 0.09 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 3hqz s PHE 538 Cb 0.05 -1.70 0.07 0.00 -0.57 0.00 0.00 43.02 40.88 3hqz s PHE 538 CO 0.88 0.43 1.09 0.95 -0.10 0.00 0.00 175.22 178.48 3hqz s THR 539 N -0.99 3.18 0.26 0.64 -4.23 -1.26 -4.79 115.64 108.45 3hqz s THR 539 Ca 0.17 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 3hqz s THR 539 Cb -0.11 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.98 3hqz s THR 539 CO 0.07 -0.50 1.85 0.44 -0.54 0.00 0.00 174.62 175.94 3hqz h ASP 540 N -1.17 0.91 -0.41 3.99 3.32 -1.99 -0.56 116.42 120.51 3hqz h ASP 540 Ca -0.46 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 3hqz h ASP 540 Cb 1.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3hqz h ASP 540 CO 0.56 0.55 -0.07 0.25 -1.72 0.00 0.00 179.24 178.81 3hqz h LEU 541 N 1.03 0.76 -0.61 1.55 5.85 -2.00 -2.37 115.31 119.52 3hqz h LEU 541 Ca 0.43 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3hqz h LEU 541 Cb 0.26 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hqz h LEU 541 CO -0.20 0.93 0.28 -0.33 -0.34 0.00 0.00 178.44 178.78 3hqz h GLU 542 N 0.58 0.89 -0.16 1.25 5.08 -1.77 -1.17 114.58 119.28 3hqz h GLU 542 Ca 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hqz h GLU 542 Cb 0.58 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hqz h GLU 542 CO 0.03 0.72 0.06 0.00 -1.00 0.00 0.00 179.01 178.83 3hqz h ARG 543 N 0.84 0.24 0.06 2.33 3.08 -1.01 0.17 114.38 120.08 3hqz h ARG 543 Ca 0.21 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3hqz h ARG 543 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3hqz h ARG 543 CO -0.02 0.34 -0.16 0.87 -1.07 0.00 0.00 179.97 179.92 3hqz h LYS 544 N 0.09 -0.29 -0.48 0.04 1.57 -1.40 -2.26 116.57 113.83 3hqz h LYS 544 Ca 0.05 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3hqz h LYS 544 Cb 0.19 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3hqz h LYS 544 CO -0.00 -0.19 0.27 0.78 -0.57 0.00 0.00 179.45 179.73 3hqz h GLY 545 N -0.30 0.67 0.99 3.86 0.00 -1.04 -2.25 103.07 105.00 3hqz h GLY 545 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3hqz h GLY 545 CO -0.12 0.15 -0.06 1.41 0.00 0.00 0.00 176.54 177.93 3hqz h LEU 546 N 0.53 0.79 -0.44 3.11 3.38 -0.58 0.16 115.31 122.26 3hqz h LEU 546 Ca 0.20 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3hqz h LEU 546 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3hqz h LEU 546 CO -0.11 0.95 0.24 -0.07 0.09 0.00 0.00 178.44 179.53 3hqz h LEU 547 N 0.63 0.55 -0.65 1.67 3.38 -1.36 -0.77 115.31 118.76 3hqz h LEU 547 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3hqz h LEU 547 Cb 0.58 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3hqz h LEU 547 CO 0.03 0.49 0.15 0.40 0.09 0.00 0.00 178.44 179.61 3hqz h ILE 548 N 0.57 1.26 -0.20 1.22 1.08 -1.32 -1.95 117.51 118.17 3hqz h ILE 548 Ca 0.15 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.70 3hqz h ILE 548 Cb 0.06 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3hqz h ILE 548 CO -0.02 0.36 -0.00 0.00 -0.69 0.00 0.00 178.15 177.80 3hqz h ALA 549 N 1.06 0.18 -0.86 1.87 0.00 -0.52 -1.10 119.26 119.88 3hqz h ALA 549 Ca 0.20 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hqz h ALA 549 Cb 0.38 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3hqz h ALA 549 CO 0.00 -0.43 0.56 0.00 0.00 0.00 0.00 179.25 179.38 3hqz h LEU 551 N 1.12 0.51 -1.25 0.00 5.85 -0.92 -3.09 115.31 117.53 3hqz h LEU 551 Ca 0.33 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hqz h LEU 551 Cb -0.07 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3hqz h LEU 551 CO -0.09 0.57 -0.24 0.00 -0.34 0.00 0.00 178.44 178.34 3hqz h HIS 553 N 3.05 0.00 -0.04 0.00 2.07 -0.86 -2.07 115.15 117.30 3hqz h HIS 553 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3hqz h HIS 553 Cb 0.78 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.76 3hqz h HIS 553 CO 0.00 0.00 -0.07 -0.25 -3.07 0.00 0.00 177.93 174.54 3hqz n ASP 554 N -2.74 2.44 -4.61 3.10 8.00 -1.26 -4.85 116.55 116.62 3hqz n ASP 554 Ca 0.01 -3.22 -0.53 0.00 0.71 0.00 0.00 54.79 51.76 3hqz n ASP 554 Cb 0.28 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 3hqz n ASP 554 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hqz n LEU 555 N -1.28 1.77 -1.71 0.64 4.77 -0.78 -1.71 117.00 118.70 3hqz n LEU 555 Ca 0.18 1.11 -0.15 0.00 -0.03 0.00 0.00 56.01 57.12 3hqz n LEU 555 Cb 0.69 -1.17 -0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3hqz n LEU 555 CO 0.02 -0.93 -0.17 -0.67 -1.33 0.00 0.00 177.39 174.31 3hqz n ASP 556 N 3.11 -4.47 -4.77 -1.43 2.03 -0.22 -4.36 116.55 106.43 3hqz n ASP 556 Ca 0.20 -0.03 -0.40 0.00 0.52 0.00 0.00 54.79 55.08 3hqz n ASP 556 Cb 0.18 -3.60 -0.02 0.00 -0.72 0.00 0.00 41.12 36.95 3hqz n ASP 556 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqz s HIS 557 N -2.75 3.16 -2.37 -0.67 2.46 -0.70 -4.94 115.29 109.47 3hqz s HIS 557 Ca 0.02 1.49 0.19 0.00 0.47 0.00 0.00 55.06 57.23 3hqz s HIS 557 Cb -0.01 -3.57 0.18 0.00 -0.13 0.00 0.00 32.58 29.06 3hqz s HIS 557 CO 0.02 -1.53 1.14 0.54 -2.47 0.00 0.00 174.74 172.44 3hqz n ARG 558 N 0.80 1.78 -0.86 2.88 3.00 -1.26 -4.46 116.66 118.55 3hqz n ARG 558 Ca 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 57.85 56.12 3hqz n ARG 558 Cb 0.43 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.51 3hqz n ARG 558 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hqz n GLY 559 N 1.11 0.50 3.28 -0.13 0.00 -1.26 -5.03 105.19 103.66 3hqz n GLY 559 Ca 0.12 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3hqz n GLY 559 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqz s PHE 560 N -2.00 1.93 0.91 1.61 0.08 -1.26 -4.74 117.98 114.50 3hqz s PHE 560 Ca 0.00 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 3hqz s PHE 560 Cb 0.00 -1.13 0.13 0.00 -0.57 0.00 0.00 43.02 41.45 3hqz s PHE 560 CO 0.00 0.13 1.10 -1.54 -0.10 0.00 0.00 175.22 174.81 3hqz s SER 561 N -1.33 3.47 0.32 1.36 1.04 -1.26 -4.90 113.70 112.39 3hqz s SER 561 Ca 0.08 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.77 3hqz s SER 561 Cb -0.09 -1.92 0.54 0.00 0.10 0.00 0.00 66.02 64.65 3hqz s SER 561 CO 0.02 -2.61 1.97 0.78 0.98 0.00 0.00 173.24 174.38 3hqz h ASN 562 N -1.53 0.79 -0.39 7.02 2.35 -2.01 -2.42 115.58 119.40 3hqz h ASN 562 Ca -0.51 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.17 3hqz h ASN 562 Cb 1.30 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3hqz h ASN 562 CO 0.58 0.61 0.12 -1.28 -1.65 0.00 0.00 177.43 175.81 3hqz h SER 563 N 0.92 0.56 -0.52 5.81 0.87 -1.99 -1.37 113.55 117.82 3hqz h SER 563 Ca 0.24 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3hqz h SER 563 Cb -0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3hqz h SER 563 CO -0.05 0.62 0.32 0.22 -0.53 0.00 0.00 176.83 177.41 3hqz h TYR 564 N 0.48 0.67 -0.90 2.24 3.20 -1.88 -0.42 116.97 120.37 3hqz h TYR 564 Ca 0.12 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3hqz h TYR 564 Cb 0.26 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 3hqz h TYR 564 CO 0.01 0.45 0.59 -0.07 -1.64 0.00 0.00 178.16 177.51 3hqz h LEU 565 N 0.70 0.99 -0.02 2.82 4.07 -1.11 0.20 115.31 122.95 3hqz h LEU 565 Ca 0.19 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 3hqz h LEU 565 Cb -0.03 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 3hqz h LEU 565 CO -0.04 0.69 0.01 -0.61 -1.08 0.00 0.00 178.44 177.41 3hqz h GLN 566 N 1.15 0.03 -0.49 1.13 4.15 -0.87 -0.38 115.11 119.84 3hqz h GLN 566 Ca 0.35 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.72 3hqz h GLN 566 Cb -0.03 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3hqz h GLN 566 CO -0.10 0.24 0.12 0.87 -1.93 0.00 0.00 178.83 178.04 3hqz h LYS 567 N -0.18 0.73 0.00 1.69 1.79 -0.57 -1.93 116.57 118.09 3hqz h LYS 567 Ca 0.01 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 3hqz h LYS 567 Cb 0.22 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3hqz h LYS 567 CO -0.00 0.66 -0.15 0.35 -1.08 0.00 0.00 179.45 179.23 3hqz h PHE 568 N 0.71 0.00 -3.50 -1.35 3.57 -0.51 -3.47 116.94 112.39 3hqz h PHE 568 Ca 0.16 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.44 3hqz h PHE 568 Cb 0.25 0.00 0.07 0.00 2.79 0.00 0.00 35.95 39.06 3hqz h PHE 568 CO 0.01 0.15 -0.37 -3.47 -2.23 0.00 0.00 178.31 172.41 3hqz n ASP 569 N -3.36 -4.36 -4.77 0.41 2.03 -0.64 -4.99 116.55 100.87 3hqz n ASP 569 Ca -0.00 -0.27 -0.41 0.00 0.52 0.00 0.00 54.79 54.63 3hqz n ASP 569 Cb 0.36 -2.98 -0.01 0.00 -0.72 0.00 0.00 41.12 37.76 3hqz n ASP 569 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3hqz s HIS 570 N -3.13 2.87 0.50 -0.67 5.65 -0.25 -4.90 115.29 115.36 3hqz s HIS 570 Ca 0.30 1.34 0.30 0.00 0.25 0.00 0.00 55.06 57.24 3hqz s HIS 570 Cb -0.13 -3.79 1.40 0.00 -1.18 0.00 0.00 32.58 28.88 3hqz s HIS 570 CO 0.37 -2.25 1.81 -1.35 -0.65 0.00 0.00 174.74 172.66 3hqz h PRO 571 N 3.17 0.12 -0.40 2.88 0.11 -1.94 -0.76 132.00 135.18 3hqz h PRO 571 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3hqz h PRO 571 Cb 1.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3hqz h PRO 571 CO 0.65 0.08 0.02 -0.07 -0.21 0.00 0.00 178.00 178.46 3hqz h LEU 572 N 0.12 0.60 -1.54 2.35 3.38 -1.94 -2.21 115.31 116.06 3hqz h LEU 572 Ca 0.55 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.35 3hqz h LEU 572 Cb 1.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3hqz h LEU 572 CO -0.10 0.65 -0.24 0.00 0.09 0.00 0.00 178.44 178.85 3hqz h ALA 573 N 1.42 1.51 -0.06 1.53 0.00 -1.32 0.26 119.26 122.59 3hqz h ALA 573 Ca 0.13 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 3hqz h ALA 573 Cb 0.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hqz h ALA 573 CO 0.01 0.30 -0.91 0.00 0.00 0.00 0.00 179.25 178.65 3hqz h ALA 574 N 1.76 0.27 -0.06 0.00 0.00 -1.39 -3.19 119.26 116.66 3hqz h ALA 574 Ca -0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3hqz h ALA 574 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hqz h ALA 574 CO 0.03 0.71 -0.17 1.25 0.00 0.00 0.00 179.25 181.07 3hqz h LEU 575 N 0.42 0.25 -7.45 0.00 5.85 -1.12 -3.41 115.31 109.85 3hqz h LEU 575 Ca -0.09 -0.61 -0.63 0.00 0.84 0.00 0.00 57.88 57.39 3hqz h LEU 575 Cb 1.54 -0.07 -0.40 0.00 0.37 0.00 0.00 40.66 42.10 3hqz h LEU 575 CO 0.18 0.82 -0.72 -0.31 -0.34 0.00 0.00 178.44 178.07 3hqz s TYR 576 N -3.78 3.01 0.18 1.25 2.02 0.88 -4.99 117.35 115.93 3hqz s TYR 576 Ca -0.15 -2.67 -0.07 0.00 -0.37 0.00 0.00 57.07 53.80 3hqz s TYR 576 Cb 0.03 -2.52 0.09 0.00 -0.40 0.00 0.00 41.96 39.15 3hqz s TYR 576 CO 0.74 -0.88 1.58 0.66 -1.57 0.00 0.00 175.55 176.07 3hqz h SER 577 N 7.47 0.91 -3.82 2.29 4.64 -1.79 -3.37 113.55 119.88 3hqz h SER 577 Ca -0.07 -0.35 -0.68 0.00 -0.47 0.00 0.00 61.79 60.23 3hqz h SER 577 Cb 0.99 -0.25 -0.20 0.00 -0.31 0.00 0.00 62.40 62.63 3hqz h SER 577 CO 0.53 1.10 -0.82 0.42 -0.87 0.00 0.00 176.83 177.19 3hqz s THR 578 N -4.61 2.69 -1.44 2.95 -4.23 -1.26 -4.63 115.64 105.12 3hqz s THR 578 Ca -0.10 -1.51 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3hqz s THR 578 Cb 0.13 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.76 3hqz s THR 578 CO 0.86 0.14 0.33 -1.20 -0.54 0.00 0.00 174.62 174.20 3hqz n SER 579 N 0.95 -0.05 0.16 3.99 7.64 -1.26 -4.80 113.62 120.25 3hqz n SER 579 Ca -0.16 -1.06 -0.15 0.00 1.01 0.00 0.00 58.87 58.50 3hqz n SER 579 Cb 0.53 -2.74 -0.08 0.00 -1.01 0.00 0.00 64.21 60.91 3hqz n SER 579 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hqz h THR 580 N -1.82 0.17 -0.52 0.44 2.02 -1.82 -0.50 112.91 110.87 3hqz h THR 580 Ca -0.64 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 3hqz h THR 580 Cb 1.38 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3hqz h THR 580 CO 0.64 0.00 0.05 0.24 0.37 0.00 0.00 175.52 176.82 3hqz h MET 581 N -0.71 0.84 -0.43 6.66 2.86 -1.89 -2.34 114.93 119.91 3hqz h MET 581 Ca 0.00 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 3hqz h MET 581 Cb 0.70 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3hqz h MET 581 CO -0.19 0.81 0.00 0.93 1.06 0.00 0.00 176.91 179.52 3hqz h GLU 582 N 0.79 0.76 -0.79 1.72 3.07 -1.77 0.21 114.58 118.56 3hqz h GLU 582 Ca 0.16 -0.24 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3hqz h GLU 582 Cb 0.40 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 3hqz h GLU 582 CO 0.01 0.83 0.50 1.96 -1.40 0.00 0.00 179.01 180.91 3hqz h GLN 583 N 0.60 0.92 -0.27 2.33 4.20 -0.98 -1.65 115.11 120.27 3hqz h GLN 583 Ca 0.12 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hqz h GLN 583 Cb 0.48 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3hqz h GLN 583 CO 0.02 0.61 0.17 1.25 -0.67 0.00 0.00 178.83 180.21 3hqz h HIS 584 N 0.95 0.35 -0.64 2.96 2.76 -0.85 -1.06 115.15 119.62 3hqz h HIS 584 Ca 0.33 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.59 3hqz h HIS 584 Cb 0.06 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 28.84 3hqz h HIS 584 CO -0.03 0.25 0.28 0.45 -1.30 0.00 0.00 177.93 177.57 3hqz h HIS 585 N 0.35 0.49 -0.58 5.26 3.86 -0.19 0.68 115.15 125.01 3hqz h HIS 585 Ca 0.10 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3hqz h HIS 585 Cb -0.01 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3hqz h HIS 585 CO -0.05 0.16 0.20 0.35 0.86 0.00 0.00 177.93 179.45 3hqz h PHE 586 N 0.49 0.92 -0.51 2.45 3.57 -1.13 -1.51 116.94 121.21 3hqz h PHE 586 Ca 0.32 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3hqz h PHE 586 Cb 0.36 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3hqz h PHE 586 CO -0.14 0.76 0.28 1.03 -2.23 0.00 0.00 178.31 178.01 3hqz h SER 587 N 0.81 0.44 -0.78 0.41 0.87 -0.34 -1.68 113.55 113.28 3hqz h SER 587 Ca 0.19 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3hqz h SER 587 Cb 0.26 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3hqz h SER 587 CO -0.01 0.30 0.50 1.56 -0.53 0.00 0.00 176.83 178.66 3hqz h GLN 588 N 0.56 0.96 -0.06 2.24 1.08 -0.75 -1.25 115.11 117.89 3hqz h GLN 588 Ca 0.21 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3hqz h GLN 588 Cb 0.07 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3hqz h GLN 588 CO -0.12 0.64 -0.12 1.15 -0.95 0.00 0.00 178.83 179.43 3hqz h THR 589 N 0.99 0.69 -0.26 -0.54 2.02 -0.73 -1.11 112.91 113.97 3hqz h THR 589 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 3hqz h THR 589 Cb -0.02 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3hqz h THR 589 CO -0.10 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.54 3hqz h VAL 590 N -0.17 1.08 -0.66 3.16 2.07 -1.11 -1.34 116.25 119.28 3hqz h VAL 590 Ca 0.06 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.49 3hqz h VAL 590 Cb 0.26 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3hqz h VAL 590 CO -0.16 0.08 0.35 0.28 0.02 0.00 0.00 177.57 178.14 3hqz h SER 591 N 0.35 0.50 -0.33 0.57 0.02 -1.05 -1.07 113.55 112.54 3hqz h SER 591 Ca 0.10 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3hqz h SER 591 Cb -0.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3hqz h SER 591 CO -0.02 0.32 0.11 0.40 -1.14 0.00 0.00 176.83 176.50 3hqz h ILE 592 N 0.64 1.20 -0.12 3.27 2.04 -0.95 -2.63 117.51 120.96 3hqz h ILE 592 Ca 0.30 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3hqz h ILE 592 Cb 0.22 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3hqz h ILE 592 CO -0.20 0.22 0.12 -0.07 0.00 0.00 0.00 178.15 178.22 3hqz h LEU 593 N 0.39 0.00 -0.22 1.44 3.38 -0.67 -2.07 115.31 117.56 3hqz h LEU 593 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hqz h LEU 593 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hqz h LEU 593 CO -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.29 3hqz n GLN 594 N -3.99 0.48 -2.33 1.13 6.02 -0.46 -3.28 117.38 114.96 3hqz n GLN 594 Ca 0.00 -0.22 -0.37 0.00 -0.01 0.00 0.00 57.00 56.40 3hqz n GLN 594 Cb 0.23 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 3hqz n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hqz s LEU 595 N -2.67 4.01 0.04 1.08 1.43 -0.78 -4.94 118.68 116.85 3hqz s LEU 595 Ca 0.21 2.23 -0.37 0.00 -1.03 0.00 0.00 54.13 55.18 3hqz s LEU 595 Cb 0.19 -4.27 -0.16 0.00 0.03 0.00 0.00 46.19 41.98 3hqz s LEU 595 CO 0.55 -0.85 1.45 -0.62 0.23 0.00 0.00 176.35 177.11 3hqz n GLU 596 N -0.48 1.34 -0.98 1.70 1.02 -1.26 -1.48 120.64 120.50 3hqz n GLU 596 Ca 0.07 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3hqz n GLU 596 Cb 0.49 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3hqz n GLU 596 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hqz n GLY 597 N 2.95 0.33 0.25 0.62 0.00 -1.26 -4.87 105.19 103.20 3hqz n GLY 597 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3hqz n GLY 597 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqz n HIS 598 N -2.52 0.00 -2.39 1.61 8.25 -0.55 -4.62 115.22 114.99 3hqz n HIS 598 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3hqz n HIS 598 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 3hqz n HIS 598 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqz s ASN 599 N -2.42 6.13 0.13 0.41 2.47 -1.20 -4.67 114.94 115.79 3hqz s ASN 599 Ca 0.12 -1.72 0.13 0.00 0.42 0.00 0.00 52.86 51.81 3hqz s ASN 599 Cb 0.15 -2.58 0.63 0.00 -1.45 0.00 0.00 41.25 38.00 3hqz s ASN 599 CO 0.60 -1.88 1.40 2.30 -3.72 0.00 0.00 177.10 175.80 3hqz n ILE 600 N 7.05 1.32 -0.76 -5.21 -5.35 -1.26 -1.73 119.36 113.42 3hqz n ILE 600 Ca 0.42 0.47 0.08 0.00 -0.27 0.00 0.00 62.75 63.45 3hqz n ILE 600 Cb 0.48 -1.40 0.34 0.00 -1.74 0.00 0.00 39.64 37.31 3hqz n ILE 600 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hqz n PHE 601 N -1.84 1.47 0.27 4.28 3.72 -1.26 -4.64 117.46 119.46 3hqz n PHE 601 Ca 0.01 -0.70 0.13 0.00 -0.05 0.00 0.00 57.45 56.84 3hqz n PHE 601 Cb 0.08 -0.33 0.74 0.00 -0.94 0.00 0.00 39.48 39.04 3hqz n PHE 601 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hqz h SER 602 N 3.39 0.00 0.64 4.37 4.64 -1.74 -2.11 113.55 122.74 3hqz h SER 602 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hqz h SER 602 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3hqz h SER 602 CO 0.29 0.11 -0.12 0.35 -0.87 0.00 0.00 176.83 176.59 3hqz n THR 603 N -3.63 0.00 -2.49 2.95 -2.24 -1.26 -4.86 114.28 102.75 3hqz n THR 603 Ca -0.02 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 3hqz n THR 603 Cb 0.23 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 3hqz n THR 603 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqz s LEU 604 N -2.75 3.73 1.05 3.22 1.43 -0.79 -5.06 118.68 119.51 3hqz s LEU 604 Ca 0.21 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 3hqz s LEU 604 Cb 0.19 -4.53 0.22 0.00 0.03 0.00 0.00 46.19 42.10 3hqz s LEU 604 CO 0.53 -0.64 1.06 -1.54 0.23 0.00 0.00 176.35 175.99 3hqz n SER 605 N -1.28 -0.77 -0.26 2.29 3.41 -1.26 -4.75 113.62 111.00 3hqz n SER 605 Ca 0.07 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3hqz n SER 605 Cb 0.54 -1.36 0.13 0.00 -0.26 0.00 0.00 64.21 63.25 3hqz n SER 605 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hqz h SER 606 N -2.31 0.61 -0.13 4.04 0.02 -1.97 -0.57 113.55 113.25 3hqz h SER 606 Ca -0.53 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 3hqz h SER 606 Cb 1.30 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3hqz h SER 606 CO 0.45 0.38 0.04 0.28 -1.14 0.00 0.00 176.83 176.83 3hqz h SER 607 N 0.74 0.19 -0.83 3.07 0.02 -1.99 -1.27 113.55 113.49 3hqz h SER 607 Ca 0.35 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hqz h SER 607 Cb 0.26 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3hqz h SER 607 CO -0.21 0.35 0.47 -0.33 -1.14 0.00 0.00 176.83 175.97 3hqz h GLU 608 N 0.02 1.15 0.34 3.45 5.08 -1.88 0.09 114.58 122.83 3hqz h GLU 608 Ca 0.04 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hqz h GLU 608 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3hqz h GLU 608 CO -0.00 0.83 -0.36 -0.92 -1.00 0.00 0.00 179.01 177.56 3hqz h TYR 609 N 1.16 -0.97 -0.94 4.33 3.20 -0.88 0.15 116.97 123.03 3hqz h TYR 609 Ca 0.30 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.30 3hqz h TYR 609 Cb 0.00 0.38 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 3hqz h TYR 609 CO 0.01 -0.50 0.56 0.93 -1.64 0.00 0.00 178.16 177.52 3hqz h GLU 610 N -0.73 0.84 -0.04 1.82 5.08 -1.02 -1.49 114.58 119.04 3hqz h GLU 610 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hqz h GLU 610 Cb 0.67 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hqz h GLU 610 CO -0.07 0.56 0.01 0.37 -1.00 0.00 0.00 179.01 178.88 3hqz h GLN 611 N 0.87 0.06 -0.46 2.33 4.15 -0.45 -2.23 115.11 119.36 3hqz h GLN 611 Ca 0.48 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.81 3hqz h GLN 611 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 3hqz h GLN 611 CO -0.29 0.23 -0.01 -0.24 -1.93 0.00 0.00 178.83 176.59 3hqz h VAL 612 N -0.13 1.24 -0.19 2.39 3.04 -0.39 -1.34 116.25 120.87 3hqz h VAL 612 Ca 0.01 -1.01 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 3hqz h VAL 612 Cb 0.20 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 3hqz h VAL 612 CO -0.00 0.35 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.63 3hqz h LEU 613 N 0.72 0.33 -0.28 3.16 3.38 -1.22 0.17 115.31 121.58 3hqz h LEU 613 Ca 0.14 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3hqz h LEU 613 Cb 0.46 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hqz h LEU 613 CO 0.02 0.56 -0.49 -0.08 0.09 0.00 0.00 178.44 178.54 3hqz h GLU 614 N 0.31 0.82 -0.15 1.13 4.57 -0.98 0.61 114.58 120.89 3hqz h GLU 614 Ca 0.05 -0.51 0.02 0.00 -1.18 0.00 0.00 59.36 57.75 3hqz h GLU 614 Cb 0.55 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 3hqz h GLU 614 CO 0.04 1.14 -0.01 0.82 -1.18 0.00 0.00 179.01 179.82 3hqz h ILE 615 N 0.58 0.89 -0.09 2.32 2.04 -0.86 -0.97 117.51 121.42 3hqz h ILE 615 Ca 0.02 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3hqz h ILE 615 Cb 1.09 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3hqz h ILE 615 CO 0.11 0.01 -0.01 0.40 0.00 0.00 0.00 178.15 178.65 3hqz h ILE 616 N 0.04 0.92 0.02 -0.67 2.04 -0.87 -1.14 117.51 117.84 3hqz h ILE 616 Ca 0.07 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3hqz h ILE 616 Cb 0.09 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3hqz h ILE 616 CO -0.12 0.00 -0.21 -0.09 0.00 0.00 0.00 178.15 177.73 3hqz h ARG 617 N 0.01 -0.33 -0.71 2.37 2.43 -0.72 -0.18 114.38 117.26 3hqz h ARG 617 Ca 0.04 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3hqz h ARG 617 Cb 0.06 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3hqz h ARG 617 CO -0.08 -0.22 0.43 0.87 -1.51 0.00 0.00 179.97 179.45 3hqz h LYS 618 N -0.34 0.79 -0.06 0.20 1.57 -1.05 -0.95 116.57 116.72 3hqz h LYS 618 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hqz h LYS 618 Cb 0.41 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hqz h LYS 618 CO -0.18 0.52 0.01 0.00 -0.57 0.00 0.00 179.45 179.23 3hqz h ALA 619 N 1.33 0.08 -0.28 3.86 0.00 -0.83 -1.48 119.26 121.93 3hqz h ALA 619 Ca 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hqz h ALA 619 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hqz h ALA 619 CO -0.14 -0.29 0.16 0.82 0.00 0.00 0.00 179.25 179.80 3hqz h ILE 620 N -0.12 1.02 -0.72 0.00 2.04 -0.87 -2.70 117.51 116.15 3hqz h ILE 620 Ca 0.02 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hqz h ILE 620 Cb 0.25 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3hqz h ILE 620 CO 0.00 0.06 0.48 0.40 0.00 0.00 0.00 178.15 179.09 3hqz h ILE 621 N 0.33 1.16 0.00 -0.67 1.08 -1.10 -2.03 117.51 116.27 3hqz h ILE 621 Ca 0.11 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3hqz h ILE 621 Cb 0.01 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 33.89 3hqz h ILE 621 CO -0.06 0.17 -0.01 0.00 -0.69 0.00 0.00 178.15 177.56 3hqz h ALA 622 N 1.56 1.36 0.00 1.87 0.00 -0.93 -1.09 119.26 122.03 3hqz h ALA 622 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hqz h ALA 622 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hqz h ALA 622 CO -0.07 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.45 3hqz n THR 623 N -3.63 0.66 -2.02 0.00 -2.24 -0.76 -4.49 114.28 101.80 3hqz n THR 623 Ca -0.03 0.17 -0.40 0.00 -2.27 0.00 0.00 64.05 61.51 3hqz n THR 623 Cb 0.10 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 3hqz n THR 623 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqz s ASP 624 N -2.69 5.52 0.60 3.42 2.15 -0.42 -4.85 116.67 120.40 3hqz s ASP 624 Ca 0.13 0.77 0.31 0.00 0.43 0.00 0.00 52.55 54.18 3hqz s ASP 624 Cb 0.10 -2.53 1.76 0.00 -0.30 0.00 0.00 42.92 41.96 3hqz s ASP 624 CO 0.25 -2.10 2.14 0.25 -0.17 0.00 0.00 175.17 175.55 3hqz h LEU 625 N 15.30 0.00 -1.51 -1.34 5.85 -1.89 -0.71 115.31 131.02 3hqz h LEU 625 Ca -0.29 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.56 3hqz h LEU 625 Cb 1.17 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3hqz h LEU 625 CO 1.14 0.00 0.49 0.00 -0.34 0.00 0.00 178.44 179.73 3hqz h ALA 626 N 1.80 1.98 0.00 1.25 0.00 -1.93 -2.09 119.26 120.27 3hqz h ALA 626 Ca 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hqz h ALA 626 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hqz h ALA 626 CO -0.00 -0.17 -0.28 -0.07 0.00 0.00 0.00 179.25 178.74 3hqz h LEU 627 N 0.52 0.00 -0.58 0.00 3.38 -1.45 -3.35 115.31 113.82 3hqz h LEU 627 Ca 0.36 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.37 3hqz h LEU 627 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3hqz h LEU 627 CO -0.12 0.28 0.33 0.22 0.09 0.00 0.00 178.44 179.24 3hqz h TYR 628 N 0.00 0.62 -0.14 1.13 3.20 -1.44 -2.23 116.97 118.11 3hqz h TYR 628 Ca -0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3hqz h TYR 628 Cb 1.08 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 3hqz h TYR 628 CO 0.00 0.33 -0.09 0.74 -1.64 0.00 0.00 178.16 177.49 3hqz h PHE 629 N 0.64 -0.22 -0.52 -3.82 0.04 -1.71 0.28 116.94 111.63 3hqz h PHE 629 Ca 0.25 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.97 3hqz h PHE 629 Cb 0.09 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3hqz h PHE 629 CO -0.07 -0.14 0.06 0.78 -0.60 0.00 0.00 178.31 178.34 3hqz h GLY 630 N -0.09 0.94 0.92 -1.45 0.00 -1.79 -1.85 103.07 99.75 3hqz h GLY 630 Ca 0.09 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hqz h GLY 630 CO -0.20 0.59 -0.05 -0.57 0.00 0.00 0.00 176.54 176.31 3hqz h ASN 631 N 0.75 -0.12 -0.98 0.19 -1.24 -0.94 -1.88 115.58 111.36 3hqz h ASN 631 Ca 0.15 -0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.10 3hqz h ASN 631 Cb 0.43 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.47 3hqz h ASN 631 CO 0.01 -0.00 0.64 -0.09 -1.29 0.00 0.00 177.43 176.70 3hqz h ARG 632 N -0.22 1.29 -0.38 6.67 2.43 -0.46 -1.51 114.38 122.20 3hqz h ARG 632 Ca -0.01 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3hqz h ARG 632 Cb 0.18 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3hqz h ARG 632 CO 0.02 0.86 0.23 -0.22 -1.51 0.00 0.00 179.97 179.35 3hqz h LYS 633 N 1.33 0.45 0.01 0.20 3.64 -1.12 -0.49 116.57 120.59 3hqz h LYS 633 Ca 0.36 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3hqz h LYS 633 Cb -0.14 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 3hqz h LYS 633 CO -0.08 0.30 -0.01 1.96 -2.27 0.00 0.00 179.45 179.36 3hqz h GLN 634 N 0.46 -0.02 -0.75 1.90 1.08 -0.99 -2.27 115.11 114.53 3hqz h GLN 634 Ca 0.15 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.39 3hqz h GLN 634 Cb -0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 3hqz h GLN 634 CO -0.07 0.07 0.47 -0.07 -0.95 0.00 0.00 178.83 178.29 3hqz h LEU 635 N -0.10 0.78 -0.69 1.46 3.38 -1.12 -0.93 115.31 118.08 3hqz h LEU 635 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hqz h LEU 635 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hqz h LEU 635 CO 0.00 0.53 0.34 -0.08 0.09 0.00 0.00 178.44 179.33 3hqz h GLU 636 N 0.92 0.99 -0.35 1.13 4.57 -0.99 0.11 114.58 120.96 3hqz h GLU 636 Ca 0.30 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3hqz h GLU 636 Cb 0.03 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3hqz h GLU 636 CO -0.12 0.77 0.19 1.49 -1.18 0.00 0.00 179.01 180.17 3hqz h GLU 637 N 0.96 0.48 -0.80 1.92 4.57 -1.03 -1.80 114.58 118.89 3hqz h GLU 637 Ca 0.24 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3hqz h GLU 637 Cb 0.10 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3hqz h GLU 637 CO -0.03 0.40 0.53 0.52 -1.18 0.00 0.00 179.01 179.25 3hqz h MET 638 N 0.44 1.05 0.19 1.92 2.86 -0.81 -1.66 114.93 118.92 3hqz h MET 638 Ca 0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3hqz h MET 638 Cb 0.05 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3hqz h MET 638 CO -0.02 0.70 -0.16 -0.92 1.06 0.00 0.00 176.91 177.57 3hqz h TYR 639 N 1.08 -0.40 0.00 -0.22 3.20 -0.58 0.10 116.97 120.15 3hqz h TYR 639 Ca 0.30 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3hqz h TYR 639 Cb -0.12 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hqz h TYR 639 CO -0.02 -0.24 -0.38 1.96 -1.64 0.00 0.00 178.16 177.84 3hqz h GLN 640 N -0.36 0.00 -0.01 1.82 1.08 -1.20 -2.42 115.11 114.03 3hqz h GLN 640 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hqz h GLN 640 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hqz h GLN 640 CO -0.02 0.38 -0.31 0.25 -0.95 0.00 0.00 178.83 178.18 3hqz n THR 641 N -3.66 0.00 -1.96 -0.54 -2.24 -0.64 -4.96 114.28 100.28 3hqz n THR 641 Ca -0.01 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3hqz n THR 641 Cb 0.48 0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 3hqz n THR 641 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqz n GLY 642 N 1.36 0.35 0.02 3.38 0.00 -0.61 -4.93 105.19 104.76 3hqz n GLY 642 Ca 0.12 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3hqz n GLY 642 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqz n SER 643 N -0.41 0.88 -4.68 1.61 3.41 0.25 -4.94 113.62 109.74 3hqz n SER 643 Ca -0.15 -0.79 -0.43 0.00 -0.26 0.00 0.00 58.87 57.23 3hqz n SER 643 Cb 0.56 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 3hqz n SER 643 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hqz n LEU 644 N -1.44 3.88 -3.83 1.04 7.94 -1.08 -4.95 117.00 118.56 3hqz n LEU 644 Ca 0.05 0.99 -0.30 0.00 -1.11 0.00 0.00 56.01 55.63 3hqz n LEU 644 Cb 0.34 -1.51 -0.15 0.00 0.53 0.00 0.00 43.42 42.63 3hqz n LEU 644 CO 0.40 0.10 -0.35 0.21 -1.11 0.00 0.00 177.39 176.64 3hqz s ASN 645 N 2.89 4.06 0.38 1.96 2.47 -1.26 -5.00 114.94 120.44 3hqz s ASN 645 Ca 0.84 -1.60 0.28 0.00 0.42 0.00 0.00 52.86 52.80 3hqz s ASN 645 Cb -0.53 -1.05 1.27 0.00 -1.45 0.00 0.00 41.25 39.49 3hqz s ASN 645 CO 0.40 -0.37 1.84 -0.07 -3.72 0.00 0.00 177.10 175.17 3hqz h LEU 646 N 7.98 0.00 -0.47 3.21 3.38 -1.94 -0.39 115.31 127.08 3hqz h LEU 646 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hqz h LEU 646 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hqz h LEU 646 CO 0.46 0.00 -0.01 1.41 0.09 0.00 0.00 178.44 180.39 3hqz n HIS 647 N -2.53 0.00 -3.53 1.13 8.25 -1.26 -4.58 115.22 112.71 3hqz n HIS 647 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3hqz n HIS 647 Cb 0.19 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.17 3hqz n HIS 647 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hqz s ASN 648 N -2.06 6.07 0.22 0.41 3.84 -0.16 -4.99 114.94 118.27 3hqz s ASN 648 Ca 0.41 -0.10 -0.08 0.00 0.21 0.00 0.00 52.86 53.30 3hqz s ASN 648 Cb 0.21 -2.14 0.28 0.00 -0.55 0.00 0.00 41.25 39.05 3hqz s ASN 648 CO 0.37 -0.14 1.79 -0.61 -2.79 0.00 0.00 177.10 175.71 3hqz h GLN 649 N 8.39 0.59 -0.95 0.43 5.75 -1.85 0.27 115.11 127.74 3hqz h GLN 649 Ca -0.33 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.17 3hqz h GLN 649 Cb 1.17 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 3hqz h GLN 649 CO 0.60 0.39 0.62 0.66 -2.65 0.00 0.00 178.83 178.45 3hqz h SER 650 N 0.61 1.03 -0.27 -0.69 4.64 -1.94 0.67 113.55 117.60 3hqz h SER 650 Ca 0.32 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.55 3hqz h SER 650 Cb 0.29 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3hqz h SER 650 CO -0.23 0.70 -0.16 0.45 -0.87 0.00 0.00 176.83 176.73 3hqz h HIS 651 N 1.20 0.68 -0.57 4.77 3.86 -1.63 -2.78 115.15 120.67 3hqz h HIS 651 Ca 0.38 -0.18 0.08 0.00 -1.16 0.00 0.00 60.37 59.49 3hqz h HIS 651 Cb 0.01 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.26 3hqz h HIS 651 CO -0.01 0.84 0.22 -0.09 0.86 0.00 0.00 177.93 179.76 3hqz h ARG 652 N 0.31 0.40 -0.66 2.45 2.43 -0.62 -1.46 114.38 117.23 3hqz h ARG 652 Ca 0.06 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3hqz h ARG 652 Cb 0.68 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3hqz h ARG 652 CO 0.04 0.27 0.39 -0.44 -1.51 0.00 0.00 179.97 178.72 3hqz h ASP 653 N 0.42 0.60 -0.09 -3.80 3.32 -0.83 -1.37 116.42 114.66 3hqz h ASP 653 Ca 0.28 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hqz h ASP 653 Cb 0.31 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3hqz h ASP 653 CO -0.27 0.40 0.06 0.03 -1.72 0.00 0.00 179.24 177.74 3hqz h ARG 654 N 0.74 0.13 -0.62 3.56 3.08 -1.10 0.24 114.38 120.41 3hqz h ARG 654 Ca 0.28 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.40 3hqz h ARG 654 Cb 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 3hqz h ARG 654 CO -0.15 0.13 0.27 0.28 -1.07 0.00 0.00 179.97 179.44 3hqz h VAL 655 N 0.09 0.84 -0.72 2.04 2.07 -1.08 0.04 116.25 119.53 3hqz h VAL 655 Ca 0.03 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3hqz h VAL 655 Cb 0.04 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3hqz h VAL 655 CO -0.01 0.09 0.20 0.40 0.02 0.00 0.00 177.57 178.27 3hqz h ILE 656 N 0.49 1.26 -0.12 4.57 2.04 -1.09 -0.42 117.51 124.25 3hqz h ILE 656 Ca 0.30 -0.94 0.04 0.00 1.00 0.00 0.00 64.86 65.26 3hqz h ILE 656 Cb 0.31 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3hqz h ILE 656 CO -0.26 0.37 -0.11 1.23 0.00 0.00 0.00 178.15 179.38 3hqz h GLY 657 N 1.10 -0.02 1.01 5.37 0.00 -0.27 0.42 103.07 110.68 3hqz h GLY 657 Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hqz h GLY 657 CO -0.00 -0.12 0.53 -2.00 0.00 0.00 0.00 176.54 174.95 3hqz h LEU 658 N -0.13 1.00 -0.61 3.11 5.85 -0.68 -1.25 115.31 122.61 3hqz h LEU 658 Ca 0.08 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hqz h LEU 658 Cb 0.25 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3hqz h LEU 658 CO -0.20 0.76 0.36 0.24 -0.34 0.00 0.00 178.44 179.26 3hqz h MET 659 N 1.16 0.68 -0.61 1.25 2.86 -0.69 0.40 114.93 119.98 3hqz h MET 659 Ca 0.31 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hqz h MET 659 Cb -0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 3hqz h MET 659 CO -0.06 0.45 0.39 0.52 1.06 0.00 0.00 176.91 179.27 3hqz h MET 660 N 0.70 0.81 -0.14 1.72 2.86 -0.17 -0.18 114.93 120.52 3hqz h MET 660 Ca 0.25 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 3hqz h MET 660 Cb 0.07 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3hqz h MET 660 CO -0.12 0.54 0.03 1.15 1.06 0.00 0.00 176.91 179.57 3hqz h THR 661 N 0.82 0.95 -0.62 2.22 2.02 -0.94 0.07 112.91 117.44 3hqz h THR 661 Ca 0.22 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.45 3hqz h THR 661 Cb -0.08 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3hqz h THR 661 CO -0.05 0.02 0.26 0.00 0.37 0.00 0.00 175.52 176.12 3hqz h ALA 662 N 1.10 0.81 -0.21 6.16 0.00 -0.56 -1.00 119.26 125.55 3hqz h ALA 662 Ca 0.06 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hqz h ALA 662 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hqz h ALA 662 CO -0.08 -0.14 -0.28 0.00 0.00 0.00 0.00 179.25 178.75 3hqz h ASP 664 N 0.24 1.03 -0.20 0.00 3.58 -0.57 -2.68 116.42 117.83 3hqz h ASP 664 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3hqz h ASP 664 Cb 0.85 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3hqz h ASP 664 CO 0.07 0.70 0.00 0.18 -2.88 0.00 0.00 179.24 177.30 3hqz n LEU 665 N -4.45 1.70 0.05 2.28 4.77 -0.41 -4.62 117.00 116.31 3hqz n LEU 665 Ca 0.13 -0.74 0.05 0.00 -0.03 0.00 0.00 56.01 55.43 3hqz n LEU 665 Cb 0.12 -0.13 0.24 0.00 -2.33 0.00 0.00 43.42 41.32 3hqz n LEU 665 CO 0.34 0.37 0.66 0.00 -1.33 0.00 0.00 177.39 177.43 3hqz h SER 667 N 0.00 0.00 0.00 0.00 0.02 -1.85 0.36 113.55 112.09 3hqz h SER 667 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqz h SER 667 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3hqz h SER 667 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 3hqz n VAL 668 N -4.41 0.00 -0.05 2.27 0.24 -0.55 -2.94 118.33 112.89 3hqz n VAL 668 Ca 0.04 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.39 3hqz n VAL 668 Cb 0.38 -0.50 0.12 0.00 -1.47 0.00 0.00 33.84 32.38 3hqz n VAL 668 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hqz n THR 669 N -0.98 0.80 -2.27 3.34 -2.24 0.11 -3.69 114.28 109.36 3hqz n THR 669 Ca 0.22 -0.90 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 3hqz n THR 669 Cb 0.10 0.64 0.12 0.00 -2.10 0.00 0.00 70.33 69.10 3hqz n THR 669 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hqz s LYS 670 N -0.97 1.49 0.64 -0.78 -0.14 -1.15 -4.55 119.74 114.28 3hqz s LYS 670 Ca 0.20 -0.64 -0.16 0.00 -1.36 0.00 0.00 55.97 54.01 3hqz s LYS 670 Cb 0.11 -2.13 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 3hqz s LYS 670 CO 0.14 -1.69 1.12 -0.51 -0.76 0.00 0.00 175.35 173.64 3hqz s LEU 671 N -5.41 3.45 0.22 3.17 1.43 -1.26 -4.69 118.68 115.58 3hqz s LEU 671 Ca 0.67 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.72 3hqz s LEU 671 Cb -0.06 -4.56 0.33 0.00 0.03 0.00 0.00 46.19 41.93 3hqz s LEU 671 CO 0.47 -1.58 1.69 -0.25 0.23 0.00 0.00 176.35 176.92 3hqz h TRP 672 N 0.22 0.18 -0.98 0.29 2.91 -1.97 -0.89 115.95 115.70 3hqz h TRP 672 Ca -0.47 0.04 0.08 0.00 1.13 0.00 0.00 58.89 59.67 3hqz h TRP 672 Cb 1.25 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 29.85 3hqz h TRP 672 CO 0.54 -0.06 0.63 -1.35 -1.03 0.00 0.00 178.44 177.17 3hqz h PRO 673 N 0.24 1.05 0.12 2.65 0.11 -1.99 0.21 132.00 134.39 3hqz h PRO 673 Ca 0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3hqz h PRO 673 Cb 0.52 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3hqz h PRO 673 CO -0.44 0.69 -0.06 0.28 -0.21 0.00 0.00 178.00 178.26 3hqz h VAL 674 N 1.08 1.04 -0.26 3.15 2.07 -1.57 -2.64 116.25 119.12 3hqz h VAL 674 Ca 0.44 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3hqz h VAL 674 Cb 0.28 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3hqz h VAL 674 CO -0.19 0.17 -0.08 0.74 0.02 0.00 0.00 177.57 178.22 3hqz h THR 675 N -0.51 0.69 -0.38 2.57 2.02 -0.76 -0.50 112.91 116.04 3hqz h THR 675 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3hqz h THR 675 Cb 0.41 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3hqz h THR 675 CO 0.03 0.00 0.19 0.50 0.37 0.00 0.00 175.52 176.61 3hqz h LYS 676 N -0.03 0.39 -0.53 6.66 3.64 -0.65 -1.66 116.57 124.39 3hqz h LYS 676 Ca 0.13 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3hqz h LYS 676 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3hqz h LYS 676 CO -0.29 0.26 0.14 -0.07 -2.27 0.00 0.00 179.45 177.22 3hqz h LEU 677 N 0.40 0.79 -1.09 5.20 3.38 -1.25 -2.96 115.31 119.78 3hqz h LEU 677 Ca 0.16 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3hqz h LEU 677 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3hqz h LEU 677 CO -0.11 0.81 0.61 0.74 0.09 0.00 0.00 178.44 180.58 3hqz h THR 678 N 0.73 1.23 -0.88 0.22 2.02 -0.81 -2.01 112.91 113.42 3hqz h THR 678 Ca 0.17 -0.43 0.16 0.00 0.77 0.00 0.00 66.41 67.08 3hqz h THR 678 Cb 0.31 -0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 3hqz h THR 678 CO -0.00 0.23 0.57 0.00 0.37 0.00 0.00 175.52 176.69 3hqz h ALA 679 N 1.43 1.96 -0.80 6.16 0.00 -1.13 0.12 119.26 126.99 3hqz h ALA 679 Ca 0.34 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.40 3hqz h ALA 679 Cb -0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.49 3hqz h ALA 679 CO -0.08 -0.21 0.40 -0.91 0.00 0.00 0.00 179.25 178.45 3hqz h ASN 680 N 0.58 0.48 -0.15 0.00 2.35 -1.40 -2.17 115.58 115.27 3hqz h ASN 680 Ca 0.45 0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 56.10 3hqz h ASN 680 Cb 0.86 0.01 0.01 0.00 0.05 0.00 0.00 38.32 39.25 3hqz h ASN 680 CO -0.19 0.22 -0.64 0.44 -1.65 0.00 0.00 177.43 175.61 3hqz h ASP 681 N 0.60 0.82 -0.22 5.81 3.32 -1.06 -1.74 116.42 123.95 3hqz h ASP 681 Ca 0.43 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3hqz h ASP 681 Cb 0.57 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3hqz h ASP 681 CO -0.34 1.30 0.13 -0.29 -1.72 0.00 0.00 179.24 178.32 3hqz h ILE 682 N 0.39 1.10 -0.19 0.35 6.09 -1.35 -2.90 117.51 121.00 3hqz h ILE 682 Ca -0.04 -0.26 -0.09 0.00 -1.37 0.00 0.00 64.86 63.11 3hqz h ILE 682 Cb 1.27 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 3hqz h ILE 682 CO 0.13 0.10 -0.26 1.88 -3.07 0.00 0.00 178.15 176.93 3hqz h TYR 683 N 0.26 0.39 -0.64 2.19 0.05 -1.43 -1.59 116.97 116.19 3hqz h TYR 683 Ca 0.08 -0.08 0.12 0.00 0.05 0.00 0.00 58.73 58.90 3hqz h TYR 683 Cb 0.05 -0.10 -0.09 0.00 1.01 0.00 0.00 36.73 37.60 3hqz h TYR 683 CO -0.04 0.59 0.19 0.00 -1.05 0.00 0.00 178.16 177.85 3hqz h ALA 684 N 1.41 0.82 0.12 3.88 0.00 -1.16 0.21 119.26 124.54 3hqz h ALA 684 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hqz h ALA 684 Cb 0.63 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hqz h ALA 684 CO 0.05 -0.26 -0.06 0.93 0.00 0.00 0.00 179.25 179.91 3hqz h GLU 685 N 0.34 -0.15 -0.39 0.00 5.08 -1.23 -2.79 114.58 115.43 3hqz h GLU 685 Ca 0.34 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 3hqz h GLU 685 Cb 0.50 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3hqz h GLU 685 CO -0.39 0.18 0.15 0.74 -1.00 0.00 0.00 179.01 178.69 3hqz h PHE 686 N -0.49 0.27 -0.62 4.33 0.04 -0.97 -0.74 116.94 118.76 3hqz h PHE 686 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3hqz h PHE 686 Cb 0.39 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3hqz h PHE 686 CO 0.03 0.12 0.32 -1.49 -0.60 0.00 0.00 178.31 176.69 3hqz h TRP 687 N 0.32 0.87 -0.65 -0.55 6.55 -0.69 0.97 115.95 122.78 3hqz h TRP 687 Ca 0.18 -0.03 0.08 0.00 0.95 0.00 0.00 58.89 60.06 3hqz h TRP 687 Cb 0.14 -0.28 -0.06 0.00 -0.86 0.00 0.00 29.16 28.11 3hqz h TRP 687 CO -0.14 0.64 0.32 0.00 -1.05 0.00 0.00 178.44 178.22 3hqz h ALA 688 N 1.15 0.87 -0.82 1.49 0.00 -1.19 0.25 119.26 121.01 3hqz h ALA 688 Ca 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3hqz h ALA 688 Cb 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3hqz h ALA 688 CO -0.03 -0.05 0.38 1.49 0.00 0.00 0.00 179.25 181.03 3hqz h GLU 689 N 0.58 1.19 -0.68 0.00 4.81 -0.66 -1.75 114.58 118.06 3hqz h GLU 689 Ca 0.31 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3hqz h GLU 689 Cb 0.28 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3hqz h GLU 689 CO -0.23 0.93 0.43 0.78 -0.73 0.00 0.00 179.01 180.18 3hqz h GLY 690 N 1.17 0.98 0.74 1.92 0.00 -0.08 0.60 103.07 108.39 3hqz h GLY 690 Ca 0.28 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3hqz h GLY 690 CO -0.03 0.27 0.16 -0.55 0.00 0.00 0.00 176.54 176.39 3hqz h ASP 691 N 0.83 0.21 -0.78 0.19 3.32 -0.67 -1.33 116.42 118.19 3hqz h ASP 691 Ca 0.27 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3hqz h ASP 691 Cb 0.01 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3hqz h ASP 691 CO -0.10 0.16 0.38 -0.33 -1.72 0.00 0.00 179.24 177.63 3hqz h GLU 692 N 0.34 1.13 0.27 3.56 4.39 -0.77 -1.25 114.58 122.25 3hqz h GLU 692 Ca 0.17 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3hqz h GLU 692 Cb 0.11 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3hqz h GLU 692 CO -0.15 0.87 -0.16 0.52 -1.16 0.00 0.00 179.01 178.93 3hqz h MET 693 N 1.12 -0.40 -0.85 2.33 2.86 -0.59 -1.24 114.93 118.16 3hqz h MET 693 Ca 0.27 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 58.13 3hqz h MET 693 Cb 0.11 0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.74 3hqz h MET 693 CO -0.04 -0.27 0.35 0.87 1.06 0.00 0.00 176.91 178.89 3hqz h LYS 694 N -0.41 0.40 0.00 1.72 1.57 -0.99 -0.11 116.57 118.75 3hqz h LYS 694 Ca -0.03 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3hqz h LYS 694 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hqz h LYS 694 CO 0.03 0.26 -0.19 0.87 -0.57 0.00 0.00 179.45 179.85 3hqz h LYS 695 N 0.41 0.00 0.00 3.15 1.57 -0.74 -1.37 116.57 119.58 3hqz h LYS 695 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 3hqz h LYS 695 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3hqz h LYS 695 CO -0.49 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 179.86 3hqz n LEU 696 N -3.78 0.00 0.00 2.94 4.77 -0.16 -4.92 117.00 115.85 3hqz n LEU 696 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3hqz n LEU 696 Cb 0.30 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3hqz n LEU 696 CO 0.33 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3hqz n GLY 697 N 1.12 0.60 3.12 -0.72 0.00 -0.52 -5.07 105.19 103.71 3hqz n GLY 697 Ca 0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3hqz n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqz s ILE 698 N -2.00 1.80 -0.07 -0.61 1.01 -0.56 -4.99 121.20 115.78 3hqz s ILE 698 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 3hqz s ILE 698 Cb 0.00 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 3hqz s ILE 698 CO 0.00 0.50 1.85 -1.58 0.00 0.00 0.00 174.94 175.71 3hqz s GLN 699 N 0.91 3.96 0.65 2.79 2.00 -1.26 -2.60 119.66 126.11 3hqz s GLN 699 Ca -0.07 2.25 -0.16 0.00 -2.00 0.00 0.00 55.36 55.39 3hqz s GLN 699 Cb -0.15 -4.12 -0.00 0.00 0.80 0.00 0.00 33.01 29.54 3hqz s GLN 699 CO -0.02 -1.13 1.13 -1.25 -0.50 0.00 0.00 175.29 173.52 3hqz s PRO 700 N 4.62 2.79 0.75 1.67 0.04 -1.26 -4.99 135.00 138.62 3hqz s PRO 700 Ca 0.83 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 3hqz s PRO 700 Cb -0.36 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3hqz s PRO 700 CO 0.35 -1.27 1.24 0.96 0.04 0.00 0.00 177.00 178.32 3hqz s ILE 701 N -2.20 2.01 0.36 0.56 -4.36 -1.26 -4.78 121.20 111.53 3hqz s ILE 701 Ca 0.69 0.01 0.09 0.00 -0.26 0.00 0.00 60.65 61.18 3hqz s ILE 701 Cb -0.22 -2.61 0.32 0.00 1.25 0.00 0.00 42.46 41.19 3hqz s ILE 701 CO 0.40 -0.00 1.88 -0.65 0.24 0.00 0.00 174.94 176.81 3hqz h PRO 702 N -0.41 0.66 -0.60 0.37 0.11 -1.95 -1.43 132.00 128.74 3hqz h PRO 702 Ca -0.48 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.73 3hqz h PRO 702 Cb 1.31 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3hqz h PRO 702 CO 0.48 0.44 0.41 1.98 -0.21 0.00 0.00 178.00 181.10 3hqz h MET 703 N 0.68 0.21 -0.02 1.05 1.85 -1.95 -1.59 114.93 115.16 3hqz h MET 703 Ca 0.43 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.50 3hqz h MET 703 Cb 0.68 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.66 3hqz h MET 703 CO -0.18 0.14 -0.30 -1.33 -0.40 0.00 0.00 176.91 174.83 3hqz n MET 704 N -4.43 1.45 -3.25 0.39 2.81 -0.56 -4.63 117.12 108.90 3hqz n MET 704 Ca 0.11 -1.14 -0.43 0.00 -1.81 0.00 0.00 57.70 54.42 3hqz n MET 704 Cb 0.52 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.48 3hqz n MET 704 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hqz s ASP 705 N -2.34 6.21 0.60 7.83 -1.08 -0.60 -3.25 116.67 124.05 3hqz s ASP 705 Ca 0.23 -0.78 0.30 0.00 -0.52 0.00 0.00 52.55 51.78 3hqz s ASP 705 Cb 0.19 -2.25 1.74 0.00 -1.46 0.00 0.00 42.92 41.14 3hqz s ASP 705 CO 0.48 -0.71 2.14 0.08 0.52 0.00 0.00 175.17 177.68 3hqz h ARG 706 N 8.84 0.00 0.00 4.34 0.11 -1.84 0.16 114.38 125.99 3hqz h ARG 706 Ca -0.27 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 3hqz h ARG 706 Cb 1.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 3hqz h ARG 706 CO 0.87 0.00 -0.06 -0.44 0.10 0.00 0.00 179.97 180.44 3hqz h ASP 707 N 0.00 0.00 -0.59 0.08 3.32 -1.92 -2.18 116.42 115.12 3hqz h ASP 707 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hqz h ASP 707 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hqz h ASP 707 CO -0.00 0.06 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 3hqz n LYS 708 N -3.30 3.32 0.22 3.56 4.76 0.04 -4.64 118.16 122.12 3hqz n LYS 708 Ca -0.01 -2.53 0.11 0.00 -2.87 0.00 0.00 58.31 53.01 3hqz n LYS 708 Cb 0.24 -1.79 0.70 0.00 -1.84 0.00 0.00 35.03 32.34 3hqz n LYS 708 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hqz h ARG 709 N 3.70 0.00 0.00 1.97 0.11 -1.48 -0.81 114.38 117.86 3hqz h ARG 709 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hqz h ARG 709 Cb 1.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 3hqz h ARG 709 CO 0.18 0.00 -0.00 -0.44 0.10 0.00 0.00 179.97 179.81 3hqz h ASP 710 N 0.00 0.00 -0.27 0.08 3.32 -1.85 -2.22 116.42 115.48 3hqz h ASP 710 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hqz h ASP 710 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hqz h ASP 710 CO -0.00 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.90 3hqz n GLU 711 N -3.13 1.81 -0.24 3.56 1.02 -0.31 -4.47 120.64 118.89 3hqz n GLU 711 Ca -0.02 -1.24 0.04 0.00 -0.02 0.00 0.00 57.16 55.92 3hqz n GLU 711 Cb 0.11 -1.35 0.16 0.00 -0.02 0.00 0.00 31.44 30.34 3hqz n GLU 711 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hqz h VAL 712 N 2.26 0.51 -0.59 2.62 2.07 -1.55 -0.51 116.25 121.05 3hqz h VAL 712 Ca 0.00 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3hqz h VAL 712 Cb 0.51 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3hqz h VAL 712 CO 0.00 0.04 0.36 -0.65 0.02 0.00 0.00 177.57 177.34 3hqz h PRO 713 N 0.24 0.69 -0.61 1.57 0.11 -1.86 0.19 132.00 132.32 3hqz h PRO 713 Ca 0.39 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 3hqz h PRO 713 Cb 0.66 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3hqz h PRO 713 CO -0.51 0.46 0.06 1.96 -0.21 0.00 0.00 178.00 179.75 3hqz h GLN 714 N 0.71 1.03 -0.39 1.05 7.50 -1.73 -1.09 115.11 122.20 3hqz h GLN 714 Ca 0.24 -0.29 -0.03 0.00 0.50 0.00 0.00 58.65 59.07 3hqz h GLN 714 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 3hqz h GLN 714 CO -0.10 0.98 0.14 0.78 -1.50 0.00 0.00 178.83 179.12 3hqz h GLY 715 N 1.02 0.64 0.72 3.46 0.00 -0.59 -1.85 103.07 106.46 3hqz h GLY 715 Ca 0.18 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3hqz h GLY 715 CO 0.02 0.34 0.08 1.46 0.00 0.00 0.00 176.54 178.43 3hqz h GLN 716 N 0.48 0.19 -0.56 4.80 1.08 -0.41 -1.62 115.11 119.07 3hqz h GLN 716 Ca 0.13 -0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.43 3hqz h GLN 716 Cb 0.22 -0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.50 3hqz h GLN 716 CO -0.01 0.12 -0.13 1.25 -0.95 0.00 0.00 178.83 179.11 3hqz h LEU 717 N 0.19 -0.51 -0.58 1.46 5.85 -1.02 0.21 115.31 120.91 3hqz h LEU 717 Ca 0.13 0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3hqz h LEU 717 Cb 0.12 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3hqz h LEU 717 CO -0.15 -0.18 0.32 1.23 -0.34 0.00 0.00 178.44 179.32 3hqz h GLY 718 N 0.01 0.84 0.78 3.75 0.00 -0.86 -0.95 103.07 106.63 3hqz h GLY 718 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hqz h GLY 718 CO -0.57 0.16 0.00 -2.75 0.00 0.00 0.00 176.54 173.38 3hqz h PHE 719 N 0.62 0.25 -0.54 5.60 3.57 -0.32 0.17 116.94 126.29 3hqz h PHE 719 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3hqz h PHE 719 Cb 0.12 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3hqz h PHE 719 CO -0.08 0.45 0.31 1.88 -2.23 0.00 0.00 178.31 178.64 3hqz h TYR 720 N -0.03 0.57 -0.42 0.41 -1.99 -0.89 0.55 116.97 115.17 3hqz h TYR 720 Ca 0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 3hqz h TYR 720 Cb 0.35 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 3hqz h TYR 720 CO 0.03 0.31 0.15 -0.91 -0.00 0.00 0.00 178.16 177.74 3hqz h ASN 721 N 0.60 0.60 0.67 3.88 2.35 -1.03 0.88 115.58 123.52 3hqz h ASN 721 Ca 0.22 -0.18 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 3hqz h ASN 721 Cb 0.07 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 3hqz h ASN 721 CO -0.12 0.62 -1.46 0.00 -1.65 0.00 0.00 177.43 174.82 3hqz h ALA 722 N 1.00 0.69 0.00 -0.83 0.00 -0.86 -3.41 119.26 115.85 3hqz h ALA 722 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3hqz h ALA 722 Cb 0.22 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hqz h ALA 722 CO -0.01 1.14 0.00 0.28 0.00 0.00 0.00 179.25 180.67 3hqz n VAL 723 N -2.97 0.62 0.17 0.00 0.31 0.11 -4.79 118.33 111.78 3hqz n VAL 723 Ca -0.11 0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 3hqz n VAL 723 Cb 0.91 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.66 3hqz n VAL 723 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hqz h ALA 724 N 0.00 -0.43 0.08 3.52 0.00 -1.26 -1.03 119.26 120.15 3hqz h ALA 724 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3hqz h ALA 724 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hqz h ALA 724 CO 0.00 -0.63 -0.04 0.82 0.00 0.00 0.00 179.25 179.40 3hqz h ILE 725 N -0.65 0.93 -0.94 0.00 1.08 -1.08 -2.02 117.51 114.83 3hqz h ILE 725 Ca -0.04 -0.04 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 3hqz h ILE 725 Cb 0.46 0.96 -0.09 0.00 -3.07 0.00 0.00 36.82 35.08 3hqz h ILE 725 CO 0.07 0.01 0.56 -0.65 -0.69 0.00 0.00 178.15 177.45 3hqz h PRO 726 N -0.13 0.81 0.82 2.37 0.11 -1.75 0.07 132.00 134.31 3hqz h PRO 726 Ca -0.01 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3hqz h PRO 726 Cb 0.10 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.03 3hqz h PRO 726 CO 0.02 0.54 -0.40 0.00 -0.21 0.00 0.00 178.00 177.94 3hqz h TYR 728 N -1.11 0.06 -0.04 0.00 0.05 -1.27 -1.21 116.97 113.46 3hqz h TYR 728 Ca -0.11 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 3hqz h TYR 728 Cb 0.86 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.58 3hqz h TYR 728 CO -0.03 0.44 0.02 1.15 -1.05 0.00 0.00 178.16 178.69 3hqz h THR 729 N 0.05 1.08 -0.50 -2.88 2.02 -0.93 -0.89 112.91 110.86 3hqz h THR 729 Ca 0.00 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hqz h THR 729 Cb 0.71 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3hqz h THR 729 CO 0.05 0.07 0.21 0.74 0.37 0.00 0.00 175.52 176.96 3hqz h THR 730 N -0.04 1.21 -0.59 3.16 2.02 -1.03 -1.97 112.91 115.67 3hqz h THR 730 Ca 0.01 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.58 3hqz h THR 730 Cb 0.09 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3hqz h THR 730 CO -0.00 0.24 0.35 0.25 0.37 0.00 0.00 175.52 176.74 3hqz h LEU 731 N 0.66 0.57 -0.77 2.58 5.85 -1.15 -2.46 115.31 120.58 3hqz h LEU 731 Ca 0.17 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3hqz h LEU 731 Cb 0.18 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hqz h LEU 731 CO -0.01 0.40 0.21 0.74 -0.34 0.00 0.00 178.44 179.43 3hqz h THR 732 N 0.70 1.26 -0.58 1.05 2.02 -1.01 0.52 112.91 116.87 3hqz h THR 732 Ca 0.24 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.55 3hqz h THR 732 Cb 0.04 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3hqz h THR 732 CO -0.11 0.36 0.29 1.56 0.37 0.00 0.00 175.52 178.00 3hqz h GLN 733 N 1.08 0.54 0.06 6.66 4.20 -1.00 -1.39 115.11 125.27 3hqz h GLN 733 Ca 0.23 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.74 3hqz h GLN 733 Cb 0.32 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.00 3hqz h GLN 733 CO -0.00 0.36 -0.70 0.82 -0.67 0.00 0.00 178.83 178.63 3hqz h ILE 734 N 0.56 1.46 -3.04 2.54 2.04 -1.22 -3.40 117.51 116.45 3hqz h ILE 734 Ca 0.26 -2.28 -0.62 0.00 1.00 0.00 0.00 64.86 63.22 3hqz h ILE 734 Cb 0.18 2.86 -0.41 0.00 -0.74 0.00 0.00 36.82 38.71 3hqz h ILE 734 CO -0.18 0.66 -0.64 -0.76 0.00 0.00 0.00 178.15 177.22 3hqz s LEU 735 N -8.14 4.15 0.35 1.44 1.43 0.18 -5.00 118.68 113.09 3hqz s LEU 735 Ca -0.13 -3.52 0.14 0.00 -1.03 0.00 0.00 54.13 49.60 3hqz s LEU 735 Cb 0.02 -1.44 1.03 0.00 0.03 0.00 0.00 46.19 45.83 3hqz s LEU 735 CO 0.83 -0.13 1.71 -0.65 0.23 0.00 0.00 176.35 178.34 3hqz h PRO 736 N 5.73 0.42 0.00 1.29 0.11 -1.46 -0.49 132.00 137.60 3hqz h PRO 736 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3hqz h PRO 736 Cb 0.81 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3hqz h PRO 736 CO 0.65 0.28 0.12 -2.30 -0.21 0.00 0.00 178.00 176.54 3hqz n PRO 737 N -4.86 0.06 -0.02 1.05 -0.02 -1.26 -1.79 135.00 128.17 3hqz n PRO 737 Ca 0.29 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3hqz n PRO 737 Cb 0.89 -1.82 0.61 0.00 -0.02 0.00 0.00 33.50 33.16 3hqz n PRO 737 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hqz n THR 738 N -1.81 0.04 -0.35 3.45 -2.24 -0.19 -4.39 114.28 108.80 3hqz n THR 738 Ca -0.01 -0.17 0.24 0.00 -2.27 0.00 0.00 64.05 61.84 3hqz n THR 738 Cb 0.13 0.12 0.49 0.00 -2.10 0.00 0.00 70.33 68.96 3hqz n THR 738 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hqz h GLU 739 N 1.42 0.36 -0.66 -0.78 4.81 -1.54 -0.95 114.58 117.24 3hqz h GLU 739 Ca 0.00 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 3hqz h GLU 739 Cb 0.30 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3hqz h GLU 739 CO 0.00 0.24 0.45 -1.35 -0.73 0.00 0.00 179.01 177.62 3hqz h PRO 740 N 0.37 0.26 -0.10 0.92 0.11 -1.87 -0.45 132.00 131.24 3hqz h PRO 740 Ca 0.69 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.78 3hqz h PRO 740 Cb 1.64 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.69 3hqz h PRO 740 CO -0.46 0.17 0.05 -0.07 -0.21 0.00 0.00 178.00 177.48 3hqz h LEU 741 N 0.26 0.13 -0.56 2.35 3.38 -1.52 -1.84 115.31 117.52 3hqz h LEU 741 Ca 0.32 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hqz h LEU 741 Cb 0.88 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3hqz h LEU 741 CO -0.07 0.19 0.34 0.25 0.09 0.00 0.00 178.44 179.23 3hqz h LEU 742 N 0.06 0.67 -0.25 1.67 5.85 -1.35 -1.28 115.31 120.67 3hqz h LEU 742 Ca 0.03 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3hqz h LEU 742 Cb 0.09 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3hqz h LEU 742 CO -0.01 0.53 -0.00 0.50 -0.34 0.00 0.00 178.44 179.12 3hqz h LYS 743 N 0.75 0.07 -0.52 1.25 3.64 -0.98 -0.81 116.57 119.98 3hqz h LYS 743 Ca 0.20 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3hqz h LYS 743 Cb -0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hqz h LYS 743 CO -0.04 0.05 0.02 0.00 -2.27 0.00 0.00 179.45 177.21 3hqz h ALA 744 N 1.22 1.06 -0.19 5.00 0.00 -1.22 -1.15 119.26 123.98 3hqz h ALA 744 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3hqz h ALA 744 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hqz h ALA 744 CO -0.20 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.73 3hqz h ARG 746 N 0.18 0.96 -0.42 0.00 3.08 -0.88 -0.28 114.38 117.03 3hqz h ARG 746 Ca 0.06 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3hqz h ARG 746 Cb 0.10 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3hqz h ARG 746 CO -0.01 0.63 0.22 -0.44 -1.07 0.00 0.00 179.97 179.30 3hqz h ASP 747 N 0.99 0.32 -0.60 7.04 3.32 -1.03 -1.32 116.42 125.14 3hqz h ASP 747 Ca 0.30 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 3hqz h ASP 747 Cb -0.03 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3hqz h ASP 747 CO -0.10 0.23 0.15 0.78 -1.72 0.00 0.00 179.24 178.59 3hqz h ASN 748 N 0.44 0.94 -0.30 6.45 -0.26 -0.89 -1.62 115.58 120.34 3hqz h ASN 748 Ca 0.17 -0.19 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 3hqz h ASN 748 Cb 0.07 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.03 3hqz h ASN 748 CO -0.11 0.91 -0.03 0.25 -1.06 0.00 0.00 177.43 177.39 3hqz h LEU 749 N 0.95 -0.19 -1.13 1.61 5.85 -0.65 -1.48 115.31 120.27 3hqz h LEU 749 Ca 0.20 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3hqz h LEU 749 Cb 0.34 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3hqz h LEU 749 CO 0.00 -0.06 0.59 0.78 -0.34 0.00 0.00 178.44 179.41 3hqz h ASN 750 N 0.05 0.96 -0.61 1.25 2.35 -0.82 -1.39 115.58 117.38 3hqz h ASN 750 Ca 0.14 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3hqz h ASN 750 Cb 0.21 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3hqz h ASN 750 CO -0.27 0.65 0.31 1.56 -1.65 0.00 0.00 177.43 178.03 3hqz h GLN 751 N 1.11 0.86 -0.59 0.81 1.08 -0.76 0.62 115.11 118.23 3hqz h GLN 751 Ca 0.36 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.40 3hqz h GLN 751 Cb 0.05 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 3hqz h GLN 751 CO -0.11 0.68 0.17 -1.49 -0.95 0.00 0.00 178.83 177.12 3hqz h TRP 752 N 0.82 0.97 -0.86 2.96 4.06 -0.72 -0.34 115.95 122.83 3hqz h TRP 752 Ca 0.21 -0.10 0.06 0.00 2.06 0.00 0.00 58.89 61.12 3hqz h TRP 752 Cb 0.08 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 27.90 3hqz h TRP 752 CO -0.00 0.81 0.53 0.93 -3.56 0.00 0.00 178.44 177.15 3hqz h GLU 753 N 0.85 0.94 -0.45 0.49 5.08 -0.97 -2.03 114.58 118.49 3hqz h GLU 753 Ca 0.19 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3hqz h GLU 753 Cb 0.31 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hqz h GLU 753 CO -0.00 0.62 0.21 -0.22 -1.00 0.00 0.00 179.01 178.62 3hqz h LYS 754 N 0.97 0.65 -0.85 2.33 3.64 -0.40 -1.42 116.57 121.48 3hqz h LYS 754 Ca 0.38 -0.10 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 3hqz h LYS 754 Cb 0.18 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 3hqz h LYS 754 CO -0.18 0.56 0.46 0.28 -2.27 0.00 0.00 179.45 178.31 3hqz h VAL 755 N 0.58 0.78 -0.37 2.00 2.07 -0.69 -2.38 116.25 118.25 3hqz h VAL 755 Ca 0.15 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 3hqz h VAL 755 Cb 0.13 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3hqz h VAL 755 CO -0.02 0.13 -0.29 0.40 0.02 0.00 0.00 177.57 177.81 3hqz h ILE 756 N 0.69 1.28 0.00 4.57 2.04 -0.96 -3.52 117.51 121.60 3hqz h ILE 756 Ca 0.45 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3hqz h ILE 756 Cb 0.58 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3hqz h ILE 756 CO -0.33 0.48 0.00 0.54 0.00 0.00 0.00 178.15 178.84