#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jxm s PHE 431 N 0.00 0.43 0.05 1.61 -0.12 -1.02 -5.01 117.98 113.92 1jxm s PHE 431 Ca 0.00 -0.82 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 1jxm s PHE 431 Cb 0.00 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 1jxm s PHE 431 CO 0.00 -1.14 -0.22 0.71 -0.05 0.00 0.00 175.22 174.52 1jxm s TYR 432 N -3.51 1.91 0.05 3.49 1.51 -1.26 0.07 117.35 119.61 1jxm s TYR 432 Ca 0.22 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1jxm s TYR 432 Cb -0.02 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 1jxm s TYR 432 CO 0.12 0.11 -0.04 0.96 -1.11 0.00 0.00 175.55 175.59 1jxm s ILE 433 N -0.82 0.30 -0.12 2.71 -4.36 -0.64 -1.58 121.20 116.69 1jxm s ILE 433 Ca 0.08 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1jxm s ILE 433 Cb -0.09 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 1jxm s ILE 433 CO 0.02 -0.89 -0.15 -0.60 0.24 0.00 0.00 174.94 173.57 1jxm s ARG 434 N -3.48 3.28 0.18 0.37 3.52 0.66 0.33 118.95 123.80 1jxm s ARG 434 Ca 0.04 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 1jxm s ARG 434 Cb 0.04 -2.57 -0.08 0.00 -1.56 0.00 0.00 34.95 30.78 1jxm s ARG 434 CO -0.07 0.24 1.14 0.00 -0.81 0.00 0.00 175.30 175.79 1jxm s ALA 435 N 0.27 3.39 -0.19 6.12 0.00 -0.36 -2.07 121.76 128.92 1jxm s ALA 435 Ca -0.10 0.87 0.16 0.00 0.00 0.00 0.00 51.96 52.88 1jxm s ALA 435 Cb -0.16 -3.37 0.54 0.00 0.00 0.00 0.00 23.12 20.13 1jxm s ALA 435 CO 0.06 -0.27 1.44 1.28 0.00 0.00 0.00 175.76 178.26 1jxm n LEU 436 N 2.40 3.97 -3.77 0.00 4.77 0.09 -0.28 117.00 124.18 1jxm n LEU 436 Ca 0.03 -3.06 -0.08 0.00 -0.03 0.00 0.00 56.01 52.87 1jxm n LEU 436 Cb 0.46 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1jxm n LEU 436 CO 0.55 0.71 0.45 0.72 -1.33 0.00 0.00 177.39 178.48 1jxm s PHE 437 N -2.86 -0.26 -0.08 -1.77 -0.12 -1.26 -4.75 117.98 106.88 1jxm s PHE 437 Ca 0.43 -0.15 -0.13 0.00 -0.05 0.00 0.00 56.93 57.03 1jxm s PHE 437 Cb 0.35 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 43.36 1jxm s PHE 437 CO 0.09 -1.15 0.32 -0.51 -0.05 0.00 0.00 175.22 173.91 1jxm s ASP 438 N -2.88 6.59 -0.05 1.98 1.01 -1.26 -3.04 116.67 119.02 1jxm s ASP 438 Ca 0.09 0.70 0.03 0.00 0.71 0.00 0.00 52.55 54.09 1jxm s ASP 438 Cb -0.05 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1jxm s ASP 438 CO 0.03 0.25 -0.14 -0.47 0.21 0.00 0.00 175.17 175.05 1jxm s TYR 439 N -0.48 1.51 0.00 4.23 5.04 -0.12 -4.99 117.35 122.54 1jxm s TYR 439 Ca 0.20 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1jxm s TYR 439 Cb -0.14 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.12 1jxm s TYR 439 CO 0.08 -0.18 0.00 0.00 -1.34 0.00 0.00 175.55 174.11 1jxm n GLY 446 N -2.00 0.76 3.69 0.00 0.00 -1.26 -5.05 105.19 101.33 1jxm n GLY 446 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jxm n GLY 446 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jxm s PHE 447 N -2.17 3.49 0.02 1.61 5.36 -1.26 -5.05 117.98 119.98 1jxm s PHE 447 Ca 0.00 1.21 -0.12 0.00 -0.96 0.00 0.00 56.93 57.06 1jxm s PHE 447 Cb 0.00 -2.89 -0.06 0.00 -0.34 0.00 0.00 43.02 39.74 1jxm s PHE 447 CO 0.00 -0.07 0.37 -0.51 -1.46 0.00 0.00 175.22 173.55 1jxm s LEU 448 N 1.46 4.41 0.17 6.12 1.43 -1.26 -5.07 118.68 125.94 1jxm s LEU 448 Ca 0.37 0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 1jxm s LEU 448 Cb -0.17 -2.70 0.08 0.00 0.03 0.00 0.00 46.19 43.43 1jxm s LEU 448 CO 0.15 0.27 1.04 -0.94 0.23 0.00 0.00 176.35 177.10 1jxm s SER 449 N -1.37 -0.02 -0.03 2.29 1.04 -1.26 -5.01 113.70 109.34 1jxm s SER 449 Ca 0.27 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1jxm s SER 449 Cb -0.15 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1jxm s SER 449 CO 0.14 -0.95 0.82 0.00 0.98 0.00 0.00 173.24 174.23 1jxm n GLN 450 N -0.67 1.25 -2.31 4.02 3.00 -1.26 -4.88 117.38 116.53 1jxm n GLN 450 Ca -0.03 -0.27 -0.41 0.00 -0.01 0.00 0.00 57.00 56.27 1jxm n GLN 450 Cb 0.60 -1.37 -0.03 0.00 0.00 0.00 0.00 30.24 29.44 1jxm n GLN 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jxm s ALA 451 N -0.78 3.48 0.02 -1.58 0.00 -1.26 -0.80 121.76 120.83 1jxm s ALA 451 Ca 0.05 1.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 1jxm s ALA 451 Cb 0.04 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1jxm s ALA 451 CO 0.01 -0.46 0.74 -1.17 0.00 0.00 0.00 175.76 174.89 1jxm s LEU 452 N 0.15 4.42 0.10 0.00 2.96 0.16 -4.72 118.68 121.76 1jxm s LEU 452 Ca 0.56 1.38 -0.10 0.00 -0.22 0.00 0.00 54.13 55.76 1jxm s LEU 452 Cb -0.34 -3.19 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 1jxm s LEU 452 CO 0.35 -0.01 0.41 -0.94 -1.32 0.00 0.00 176.35 174.85 1jxm s SER 453 N 0.11 6.64 0.24 3.68 1.04 -1.26 -4.80 113.70 119.35 1jxm s SER 453 Ca 0.38 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.46 1jxm s SER 453 Cb -0.20 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1jxm s SER 453 CO 0.22 0.14 0.50 0.72 0.98 0.00 0.00 173.24 175.80 1jxm s PHE 454 N -1.45 0.24 0.30 5.02 -0.12 -0.91 -5.00 117.98 116.05 1jxm s PHE 454 Ca 0.35 -0.61 0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1jxm s PHE 454 Cb -0.14 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1jxm s PHE 454 CO 0.19 -0.99 -0.06 1.03 -0.05 0.00 0.00 175.22 175.33 1jxm s ARG 455 N -3.98 1.63 0.21 1.99 3.00 -1.26 -0.94 118.95 119.59 1jxm s ARG 455 Ca 0.19 -1.83 -0.32 0.00 0.00 0.00 0.00 55.73 53.77 1jxm s ARG 455 Cb -0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 34.95 33.50 1jxm s ARG 455 CO 0.07 0.06 1.35 0.34 0.00 0.00 0.00 175.30 177.11 1jxm n PHE 456 N -0.65 1.92 0.00 -0.53 7.35 -1.17 -1.66 117.46 122.72 1jxm n PHE 456 Ca -0.05 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1jxm n PHE 456 Cb 0.64 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 38.05 1jxm n PHE 456 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jxm n GLY 457 N 2.20 2.70 3.76 7.13 0.00 0.61 -4.74 105.19 116.85 1jxm n GLY 457 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1jxm n GLY 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jxm s ASP 458 N -1.51 6.57 -0.13 1.61 1.01 -0.67 -4.69 116.67 118.86 1jxm s ASP 458 Ca 0.00 2.82 -0.14 0.00 0.71 0.00 0.00 52.55 55.94 1jxm s ASP 458 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1jxm s ASP 458 CO 0.00 -0.72 0.32 -0.69 0.21 0.00 0.00 175.17 174.29 1jxm s VAL 459 N -0.71 5.26 -0.06 -1.27 1.01 -1.26 -1.22 120.40 122.15 1jxm s VAL 459 Ca 0.54 0.62 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1jxm s VAL 459 Cb -0.43 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1jxm s VAL 459 CO 0.53 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 175.08 1jxm s LEU 460 N 0.16 2.30 -0.43 3.92 1.43 0.15 -1.46 118.68 124.74 1jxm s LEU 460 Ca 0.19 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1jxm s LEU 460 Cb -0.14 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1jxm s LEU 460 CO 0.06 0.27 0.58 -2.28 0.23 0.00 0.00 176.35 175.21 1jxm s HIS 461 N -0.31 3.10 -0.30 0.29 5.65 0.80 -1.62 115.29 122.90 1jxm s HIS 461 Ca 0.01 -0.13 -0.26 0.00 0.25 0.00 0.00 55.06 54.93 1jxm s HIS 461 Cb -0.13 -3.20 0.01 0.00 -1.18 0.00 0.00 32.58 28.09 1jxm s HIS 461 CO 0.02 -0.80 0.92 0.08 -0.65 0.00 0.00 174.74 174.31 1jxm s VAL 462 N 2.60 4.68 -0.10 0.89 1.01 0.11 -1.63 120.40 127.96 1jxm s VAL 462 Ca 0.19 1.47 -0.09 0.00 0.00 0.00 0.00 61.98 63.55 1jxm s VAL 462 Cb -0.15 -4.26 -0.27 0.00 0.00 0.00 0.00 36.38 31.70 1jxm s VAL 462 CO 0.17 -0.33 0.45 0.40 0.00 0.00 0.00 175.10 175.79 1jxm h ILE 463 N 5.63 0.73 -2.93 2.22 1.08 -0.60 -2.71 117.51 120.93 1jxm h ILE 463 Ca -0.22 -2.38 -0.37 0.00 -0.39 0.00 0.00 64.86 61.49 1jxm h ILE 463 Cb 1.08 2.58 -0.38 0.00 -3.07 0.00 0.00 36.82 37.02 1jxm h ILE 463 CO 0.95 0.87 -0.69 -0.62 -0.69 0.00 0.00 178.15 177.97 1jxm s ASP 464 N -7.11 1.60 -0.22 1.72 2.15 -1.07 -4.78 116.67 108.96 1jxm s ASP 464 Ca -0.21 -0.23 0.12 0.00 0.43 0.00 0.00 52.55 52.66 1jxm s ASP 464 Cb 0.06 0.06 0.43 0.00 -0.30 0.00 0.00 42.92 43.17 1jxm s ASP 464 CO 0.79 -0.31 1.29 0.00 -0.17 0.00 0.00 175.17 176.76 1jxm n ALA 465 N 5.30 3.61 0.07 3.66 0.00 -1.26 -0.63 120.51 131.26 1jxm n ALA 465 Ca -0.06 -3.12 -0.03 0.00 0.00 0.00 0.00 53.44 50.24 1jxm n ALA 465 Cb 0.49 -0.48 0.21 0.00 0.00 0.00 0.00 19.45 19.68 1jxm n ALA 465 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jxm h GLY 466 N 0.89 0.35 -2.13 0.00 0.00 -1.94 -3.44 103.07 96.80 1jxm h GLY 466 Ca 0.06 -0.32 -0.44 0.00 0.00 0.00 0.00 47.33 46.63 1jxm h GLY 466 CO 0.12 0.29 0.34 -0.35 0.00 0.00 0.00 176.54 176.94 1jxm s ASP 467 N -6.86 6.93 0.11 0.19 -1.08 -1.26 -4.97 116.67 109.73 1jxm s ASP 467 Ca -0.05 1.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.95 1jxm s ASP 467 Cb 0.13 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.71 1jxm s ASP 467 CO 0.78 -0.36 1.58 -0.62 0.52 0.00 0.00 175.17 177.07 1jxm n GLU 468 N -0.57 0.19 -0.06 4.34 4.71 -1.26 -4.35 120.64 123.64 1jxm n GLU 468 Ca 0.07 0.10 -0.08 0.00 -0.01 0.00 0.00 57.16 57.24 1jxm n GLU 468 Cb 0.54 -1.67 -0.06 0.00 -1.01 0.00 0.00 31.44 29.23 1jxm n GLU 468 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jxm n GLU 469 N -1.97 0.72 -4.20 3.49 -0.58 -1.26 -4.49 120.64 112.35 1jxm n GLU 469 Ca 0.05 0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.65 1jxm n GLU 469 Cb 0.41 -1.26 -0.16 0.00 -0.57 0.00 0.00 31.44 29.85 1jxm n GLU 469 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jxm s TRP 470 N -2.26 0.76 0.10 -0.32 0.52 -1.26 -0.89 118.94 115.59 1jxm s TRP 470 Ca -0.15 -0.21 0.05 0.00 0.02 0.00 0.00 56.10 55.81 1jxm s TRP 470 Cb 0.04 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 31.66 1jxm s TRP 470 CO 0.32 -0.18 -0.02 -1.58 0.02 0.00 0.00 176.95 175.51 1jxm s TRP 471 N 0.81 2.93 -0.12 -1.98 0.51 -0.24 -4.40 118.94 116.45 1jxm s TRP 471 Ca -0.11 -0.06 -0.17 0.00 -2.12 0.00 0.00 56.10 53.64 1jxm s TRP 471 Cb -0.14 -1.51 -0.04 0.00 -0.81 0.00 0.00 33.47 30.97 1jxm s TRP 471 CO 0.00 0.47 0.44 -1.14 -0.51 0.00 0.00 176.95 176.22 1jxm s GLN 472 N -2.31 4.30 0.25 4.98 0.74 0.19 -0.87 119.66 126.95 1jxm s GLN 472 Ca 0.25 0.39 -0.17 0.00 0.05 0.00 0.00 55.36 55.87 1jxm s GLN 472 Cb -0.11 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.59 1jxm s GLN 472 CO 0.17 0.21 0.59 0.00 -0.55 0.00 0.00 175.29 175.71 1jxm s ALA 473 N 0.48 -0.81 0.01 1.58 0.00 0.72 0.12 121.76 123.86 1jxm s ALA 473 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1jxm s ALA 473 Cb -0.15 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1jxm s ALA 473 CO 0.09 -0.92 -0.02 1.03 0.00 0.00 0.00 175.76 175.95 1jxm s ARG 474 N -3.94 0.16 0.33 0.00 0.52 -0.64 -0.74 118.95 114.63 1jxm s ARG 474 Ca 0.15 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 54.78 1jxm s ARG 474 Cb -0.03 0.03 -0.10 0.00 0.52 0.00 0.00 34.95 35.38 1jxm s ARG 474 CO 0.05 -0.02 1.21 1.03 0.02 0.00 0.00 175.30 177.60 1jxm s ARG 475 N -0.68 4.39 -0.17 3.54 0.52 -1.26 -0.14 118.95 125.15 1jxm s ARG 475 Ca -0.07 2.01 -0.02 0.00 -0.52 0.00 0.00 55.73 57.13 1jxm s ARG 475 Cb -0.05 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.43 1jxm s ARG 475 CO -0.00 -0.08 2.37 0.28 0.02 0.00 0.00 175.30 177.88 1jxm n VAL 476 N 0.79 2.60 -4.25 3.52 0.31 -0.54 -4.82 118.33 115.94 1jxm n VAL 476 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 64.34 62.95 1jxm n VAL 476 Cb 0.44 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1jxm n VAL 476 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jxm n GLY 486 N 1.18 -1.63 3.64 2.92 0.00 0.08 -5.10 105.19 106.28 1jxm n GLY 486 Ca 0.24 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1jxm n GLY 486 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jxm s PHE 487 N 0.00 2.91 0.07 1.61 0.40 0.02 -0.20 117.98 122.78 1jxm s PHE 487 Ca 0.00 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1jxm s PHE 487 Cb 0.00 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 1jxm s PHE 487 CO 0.00 0.45 -0.15 0.96 0.70 0.00 0.00 175.22 177.18 1jxm s ILE 488 N -1.24 1.18 0.39 0.64 -4.36 -0.05 0.41 121.20 118.16 1jxm s ILE 488 Ca 0.23 -1.30 -0.26 0.00 -0.26 0.00 0.00 60.65 59.05 1jxm s ILE 488 Cb -0.11 -1.12 -0.09 0.00 1.25 0.00 0.00 42.46 42.39 1jxm s ILE 488 CO 0.15 -0.19 1.25 -2.16 0.24 0.00 0.00 174.94 174.23 1jxm s PRO 489 N -1.70 4.09 0.91 0.37 0.04 -1.26 -1.08 135.00 136.37 1jxm s PRO 489 Ca -0.01 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 1jxm s PRO 489 Cb -0.10 -2.80 0.14 0.00 0.04 0.00 0.00 34.50 31.78 1jxm s PRO 489 CO 0.02 -0.35 1.10 -1.54 0.04 0.00 0.00 177.00 176.28 1jxm s SER 490 N -0.84 3.42 0.19 6.66 1.04 -0.07 -4.75 113.70 119.35 1jxm s SER 490 Ca 0.55 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 1jxm s SER 490 Cb -0.36 -1.92 0.16 0.00 0.10 0.00 0.00 66.02 64.01 1jxm s SER 490 CO 0.46 -2.64 1.79 0.50 0.98 0.00 0.00 173.24 174.33 1jxm h LYS 491 N -1.55 0.53 -0.61 4.02 3.64 -1.90 0.15 116.57 120.84 1jxm h LYS 491 Ca -0.51 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1jxm h LYS 491 Cb 1.30 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1jxm h LYS 491 CO 0.58 0.35 0.35 -0.09 -2.27 0.00 0.00 179.45 178.37 1jxm h ARG 492 N 0.54 0.66 -0.38 1.90 2.43 -1.92 -0.66 114.38 116.95 1jxm h ARG 492 Ca 0.24 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1jxm h ARG 492 Cb 0.14 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1jxm h ARG 492 CO -0.16 0.44 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.58 1jxm h ARG 493 N 0.68 0.72 -0.56 0.20 2.43 -1.54 -1.14 114.38 115.17 1jxm h ARG 493 Ca 0.26 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jxm h ARG 493 Cb 0.10 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1jxm h ARG 493 CO -0.14 0.85 0.32 0.28 -1.51 0.00 0.00 179.97 179.77 1jxm h VAL 494 N 0.53 1.17 -0.24 0.20 2.07 -0.71 -1.94 116.25 117.33 1jxm h VAL 494 Ca 0.10 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jxm h VAL 494 Cb 0.56 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1jxm h VAL 494 CO 0.03 0.18 0.10 -0.33 0.02 0.00 0.00 177.57 177.57 1jxm h GLU 495 N 0.75 0.36 -0.36 1.57 5.08 -0.99 -1.46 114.58 119.53 1jxm h GLU 495 Ca 0.20 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1jxm h GLU 495 Cb 0.01 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1jxm h GLU 495 CO -0.04 0.39 0.12 -0.09 -1.00 0.00 0.00 179.01 178.40 1jxm h ARG 496 N 0.24 0.26 -0.47 2.33 2.43 -1.02 0.42 114.38 118.58 1jxm h ARG 496 Ca 0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1jxm h ARG 496 Cb 0.16 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1jxm h ARG 496 CO -0.01 0.17 0.21 0.00 -1.51 0.00 0.00 179.97 178.84 1jxm h ARG 497 N 0.27 0.68 -0.64 0.20 3.08 -1.26 -1.47 114.38 115.24 1jxm h ARG 497 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1jxm h ARG 497 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1jxm h ARG 497 CO -0.18 0.59 0.34 1.49 -1.07 0.00 0.00 179.97 181.14 1jxm h GLU 498 N 0.61 0.91 -0.45 0.04 4.57 -0.87 0.19 114.58 119.58 1jxm h GLU 498 Ca 0.16 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1jxm h GLU 498 Cb 0.14 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1jxm h GLU 498 CO -0.02 0.70 0.17 -1.49 -1.18 0.00 0.00 179.01 177.20 1jxm h TRP 499 N 0.88 0.70 0.00 0.92 6.55 -0.69 -1.09 115.95 123.21 1jxm h TRP 499 Ca 0.22 -0.06 -0.09 0.00 0.95 0.00 0.00 58.89 59.92 1jxm h TRP 499 Cb 0.07 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 1jxm h TRP 499 CO -0.00 0.60 -0.41 0.66 -1.05 0.00 0.00 178.44 178.24 1jxm h SER 500 N 0.59 0.00 -0.07 -3.49 4.64 -1.05 -3.03 113.55 111.14 1jxm h SER 500 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1jxm h SER 500 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1jxm h SER 500 CO -0.01 0.41 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.24 1jxm h ARG 501 N 0.00 0.13 0.00 4.77 1.12 -0.19 -3.51 114.38 116.70 1jxm h ARG 501 Ca -0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1jxm h ARG 501 Cb 0.89 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 1jxm h ARG 501 CO 0.05 0.48 0.00 1.28 -3.11 0.00 0.00 179.97 178.68 1jxm n LEU 502 N -4.80 0.00 -3.47 3.80 4.77 -0.45 -5.09 117.00 111.76 1jxm n LEU 502 Ca -0.07 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1jxm n LEU 502 Cb 0.24 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1jxm n LEU 502 CO 0.35 0.00 0.94 -0.69 -1.33 0.00 0.00 177.39 176.66 1jxm s VAL 520 N 0.00 -0.04 -0.07 4.08 1.01 -1.26 -5.09 120.40 119.03 1jxm s VAL 520 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1jxm s VAL 520 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1jxm s VAL 520 CO 0.00 0.00 0.46 -0.76 0.00 0.00 0.00 175.10 174.80 1jxm s LEU 521 N 1.48 4.35 0.00 3.92 1.43 -1.26 -4.95 118.68 123.66 1jxm s LEU 521 Ca -0.05 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1jxm s LEU 521 Cb -0.02 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1jxm s LEU 521 CO -0.13 0.12 0.00 -1.54 0.23 0.00 0.00 176.35 175.03 1jxm n SER 522 N 3.00 0.00 -4.18 2.29 3.41 -1.26 -4.77 113.62 112.11 1jxm n SER 522 Ca -0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1jxm n SER 522 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1jxm n SER 522 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jxm s TYR 523 N 0.00 1.03 -0.01 7.33 1.51 -1.26 -0.73 117.35 125.22 1jxm s TYR 523 Ca 0.00 -1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 54.79 1jxm s TYR 523 Cb 0.00 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 1jxm s TYR 523 CO 0.00 -0.52 0.02 -1.83 -1.11 0.00 0.00 175.55 172.11 1jxm s GLU 524 N -4.07 0.03 0.41 -0.62 -1.05 -0.88 -4.95 118.70 107.57 1jxm s GLU 524 Ca 0.30 0.03 -0.24 0.00 -0.15 0.00 0.00 54.97 54.91 1jxm s GLU 524 Cb 0.07 0.01 -0.08 0.00 -0.44 0.00 0.00 34.13 33.69 1jxm s GLU 524 CO 0.06 -0.01 1.13 0.95 0.95 0.00 0.00 175.26 178.35 1jxm s THR 525 N 0.03 3.31 0.04 1.83 -4.23 -1.26 -0.25 115.64 115.11 1jxm s THR 525 Ca -0.00 1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 61.56 1jxm s THR 525 Cb -0.00 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 1jxm s THR 525 CO -0.00 0.05 -0.04 0.68 -0.54 0.00 0.00 174.62 174.77 1jxm s VAL 526 N -1.51 0.22 0.09 2.29 -7.23 -0.61 -1.64 120.40 112.01 1jxm s VAL 526 Ca 0.58 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 1jxm s VAL 526 Cb -0.28 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 1jxm s VAL 526 CO 0.35 -0.67 -0.11 0.28 -0.31 0.00 0.00 175.10 174.64 1jxm s THR 527 N -2.36 0.93 -0.10 5.32 -1.32 0.54 -4.32 115.64 114.33 1jxm s THR 527 Ca -0.07 -1.52 -0.17 0.00 -1.21 0.00 0.00 61.69 58.73 1jxm s THR 527 Cb -0.03 -1.23 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 1jxm s THR 527 CO -0.04 -0.48 0.43 -1.58 -2.21 0.00 0.00 174.62 170.74 1jxm s GLN 528 N -2.48 4.23 0.17 7.08 0.74 -1.26 -0.71 119.66 127.44 1jxm s GLN 528 Ca 0.03 0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.84 1jxm s GLN 528 Cb -0.05 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 1jxm s GLN 528 CO 0.00 0.29 -0.02 0.00 -0.55 0.00 0.00 175.29 175.01 1jxm s MET 529 N 0.21 1.12 -0.17 1.67 0.23 -0.29 -4.96 119.30 117.10 1jxm s MET 529 Ca 0.24 -1.53 -0.08 0.00 -1.03 0.00 0.00 55.69 53.29 1jxm s MET 529 Cb -0.15 -0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 32.72 1jxm s MET 529 CO 0.10 -0.08 0.10 -2.00 -2.03 0.00 0.00 175.02 171.11 1jxm s GLU 530 N -3.87 3.93 0.10 3.16 2.12 -1.26 -1.53 118.70 121.35 1jxm s GLU 530 Ca 0.22 -0.25 0.10 0.00 0.36 0.00 0.00 54.97 55.40 1jxm s GLU 530 Cb 0.05 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 1jxm s GLU 530 CO 0.03 0.40 -0.26 0.14 -0.54 0.00 0.00 175.26 175.04 1jxm s VAL 531 N 0.05 2.12 -1.14 3.70 -7.23 0.41 -5.01 120.40 113.29 1jxm s VAL 531 Ca 0.08 -1.62 0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1jxm s VAL 531 Cb -0.12 -1.87 0.24 0.00 0.56 0.00 0.00 36.38 35.20 1jxm s VAL 531 CO -0.00 0.13 1.13 1.41 -0.31 0.00 0.00 175.10 177.47 1jxm n HIS 532 N 1.18 0.32 -4.31 2.82 -0.00 -1.26 -4.62 115.22 109.34 1jxm n HIS 532 Ca -0.18 -0.33 -0.24 0.00 -0.00 0.00 0.00 57.72 56.97 1jxm n HIS 532 Cb 0.53 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.42 1jxm n HIS 532 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1jxm s TYR 533 N -0.99 2.59 -0.00 4.41 -0.85 -1.26 -4.88 117.35 116.36 1jxm s TYR 533 Ca 0.21 -0.35 -0.23 0.00 -0.52 0.00 0.00 57.07 56.18 1jxm s TYR 533 Cb 0.12 -1.35 -0.05 0.00 0.38 0.00 0.00 41.96 41.05 1jxm s TYR 533 CO 0.16 0.54 0.70 0.00 -1.52 0.00 0.00 175.55 175.42 1jxm s ALA 534 N -2.44 3.39 0.18 9.51 0.00 -0.48 -4.99 121.76 126.93 1jxm s ALA 534 Ca 0.33 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 1jxm s ALA 534 Cb -0.03 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1jxm s ALA 534 CO 0.19 0.05 1.39 1.03 0.00 0.00 0.00 175.76 178.42 1jxm s ARG 535 N 0.15 4.32 0.89 0.00 0.52 -1.26 -4.54 118.95 119.03 1jxm s ARG 535 Ca 0.36 2.15 -0.11 0.00 -0.52 0.00 0.00 55.73 57.61 1jxm s ARG 535 Cb -0.19 -3.18 0.13 0.00 0.52 0.00 0.00 34.95 32.22 1jxm s ARG 535 CO 0.20 -0.38 1.10 -2.14 0.02 0.00 0.00 175.30 174.10 1jxm s PRO 536 N 0.29 1.28 -0.04 3.54 0.02 -1.26 -4.06 135.00 134.77 1jxm s PRO 536 Ca 0.61 1.16 0.05 0.00 0.02 0.00 0.00 61.00 62.84 1jxm s PRO 536 Cb -0.39 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 1jxm s PRO 536 CO 0.36 -2.33 -0.20 0.42 -0.33 0.00 0.00 177.00 174.93 1jxm s ILE 537 N -2.79 1.61 -0.29 2.83 -1.09 0.11 -0.79 121.20 120.80 1jxm s ILE 537 Ca 0.64 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1jxm s ILE 537 Cb -0.20 -1.37 0.09 0.00 -1.58 0.00 0.00 42.46 39.40 1jxm s ILE 537 CO 0.58 0.46 0.08 -0.63 -1.23 0.00 0.00 174.94 174.19 1jxm s ILE 538 N -0.10 0.87 -0.12 2.92 1.01 -0.47 -0.20 121.20 125.11 1jxm s ILE 538 Ca -0.02 -1.27 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 1jxm s ILE 538 Cb -0.11 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1jxm s ILE 538 CO 0.02 -0.58 0.47 -0.63 0.00 0.00 0.00 174.94 174.23 1jxm s ILE 539 N 1.64 5.19 0.19 2.92 1.01 -1.26 -0.84 121.20 130.04 1jxm s ILE 539 Ca 0.07 0.94 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1jxm s ILE 539 Cb -0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1jxm s ILE 539 CO -0.22 0.32 -0.16 -0.76 0.00 0.00 0.00 174.94 174.12 1jxm s LEU 540 N 0.67 2.50 0.00 2.97 1.43 0.13 -4.89 118.68 121.50 1jxm s LEU 540 Ca 0.25 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1jxm s LEU 540 Cb -0.15 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1jxm s LEU 540 CO 0.10 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1jxm n GLY 541 N -0.07 -3.89 3.72 -3.19 0.00 -1.26 -0.11 105.19 100.40 1jxm n GLY 541 Ca -0.10 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1jxm n GLY 541 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jxm n PRO 542 N -0.03 2.43 -0.95 1.61 -0.02 -1.25 -2.46 135.00 134.33 1jxm n PRO 542 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1jxm n PRO 542 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 30.91 1jxm n PRO 542 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jxm n THR 543 N 1.48 0.00 -0.17 3.45 -2.24 -1.26 -4.85 114.28 110.69 1jxm n THR 543 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1jxm n THR 543 Cb 0.36 -0.27 0.35 0.00 -2.10 0.00 0.00 70.33 68.67 1jxm n THR 543 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1jxm h LYS 544 N 1.11 0.74 -0.48 -0.78 2.10 -1.80 -1.27 116.57 116.19 1jxm h LYS 544 Ca 0.00 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.55 1jxm h LYS 544 Cb 0.22 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1jxm h LYS 544 CO 0.00 0.49 0.07 -0.44 -2.00 0.00 0.00 179.45 177.57 1jxm h ASP 545 N 0.76 0.77 -0.58 7.07 3.32 -1.91 0.15 116.42 126.00 1jxm h ASP 545 Ca 0.29 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1jxm h ASP 545 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1jxm h ASP 545 CO -0.09 0.84 0.18 -0.09 -1.72 0.00 0.00 179.24 178.36 1jxm h ARG 546 N 0.67 0.90 -0.58 3.56 2.43 -1.81 0.47 114.38 120.01 1jxm h ARG 546 Ca 0.15 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1jxm h ARG 546 Cb 0.40 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1jxm h ARG 546 CO 0.01 0.81 0.34 0.00 -1.51 0.00 0.00 179.97 179.61 1jxm h ALA 547 N 1.05 0.74 -0.25 2.80 0.00 -0.93 0.14 119.26 122.81 1jxm h ALA 547 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jxm h ALA 547 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jxm h ALA 547 CO -0.01 0.24 0.12 -0.91 0.00 0.00 0.00 179.25 178.69 1jxm h ASN 548 N 0.78 0.33 -0.33 0.00 2.35 -0.39 -1.16 115.58 117.16 1jxm h ASN 548 Ca 0.21 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1jxm h ASN 548 Cb 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1jxm h ASN 548 CO -0.04 0.36 0.19 0.44 -1.65 0.00 0.00 177.43 176.73 1jxm h ASP 549 N 0.28 0.31 -0.44 5.81 3.32 -0.55 -2.06 116.42 123.09 1jxm h ASP 549 Ca 0.09 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1jxm h ASP 549 Cb 0.12 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1jxm h ASP 549 CO -0.01 0.22 -0.13 0.44 -1.72 0.00 0.00 179.24 178.04 1jxm h ASP 550 N 0.39 0.91 -0.42 6.45 5.19 -0.61 -1.41 116.42 126.92 1jxm h ASP 550 Ca 0.13 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 1jxm h ASP 550 Cb 0.01 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 1jxm h ASP 550 CO -0.06 1.04 0.16 -0.07 -3.12 0.00 0.00 179.24 177.19 1jxm h LEU 551 N 0.81 0.58 -0.95 1.55 3.38 -1.09 0.31 115.31 119.91 1jxm h LEU 551 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jxm h LEU 551 Cb 0.66 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1jxm h LEU 551 CO 0.05 0.60 0.54 -0.07 0.09 0.00 0.00 178.44 179.65 1jxm h LEU 552 N 0.53 1.13 -0.21 1.67 3.38 -1.25 -1.75 115.31 118.81 1jxm h LEU 552 Ca 0.14 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 1jxm h LEU 552 Cb 0.21 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jxm h LEU 552 CO -0.01 0.88 -0.79 -1.28 0.09 0.00 0.00 178.44 177.33 1jxm h SER 553 N 1.29 0.81 0.25 -0.43 0.87 -0.95 -3.29 113.55 112.08 1jxm h SER 553 Ca 0.33 -0.54 -0.20 0.00 -1.23 0.00 0.00 61.79 60.15 1jxm h SER 553 Cb -0.03 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1jxm h SER 553 CO -0.06 1.33 -0.80 -0.08 -0.53 0.00 0.00 176.83 176.69 1jxm h GLU 554 N 0.45 0.44 -2.13 2.24 4.81 -0.12 -3.38 114.58 116.89 1jxm h GLU 554 Ca -0.05 -0.39 -0.58 0.00 -0.13 0.00 0.00 59.36 58.20 1jxm h GLU 554 Cb 1.41 0.09 -0.41 0.00 0.63 0.00 0.00 28.75 30.48 1jxm h GLU 554 CO 0.16 1.04 -0.80 1.19 -0.73 0.00 0.00 179.01 179.86 1jxm n PHE 555 N -3.82 2.03 -0.14 0.92 3.01 -0.68 -4.94 117.46 113.85 1jxm n PHE 555 Ca -0.05 -3.92 0.26 0.00 1.01 0.00 0.00 57.45 54.75 1jxm n PHE 555 Cb 0.75 -0.47 0.70 0.00 -0.01 0.00 0.00 39.48 40.45 1jxm n PHE 555 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jxm h PRO 556 N 4.13 0.03 0.00 -1.08 0.11 -1.75 -0.14 132.00 133.29 1jxm h PRO 556 Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jxm h PRO 556 Cb 0.75 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jxm h PRO 556 CO 0.68 0.02 -0.61 -0.44 -0.21 0.00 0.00 178.00 177.44 1jxm h ASP 557 N 0.03 0.00 0.00 -2.05 3.45 -1.92 -3.38 116.42 112.55 1jxm h ASP 557 Ca 0.39 -0.08 -0.17 0.00 0.43 0.00 0.00 57.03 57.60 1jxm h ASP 557 Cb 1.51 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.24 1jxm h ASP 557 CO -0.02 0.04 -1.92 0.29 -1.57 0.00 0.00 179.24 176.06 1jxm n LYS 558 N -2.51 1.13 -4.70 3.56 5.02 -0.20 -4.88 118.16 115.58 1jxm n LYS 558 Ca 0.02 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 1jxm n LYS 558 Cb 0.50 -1.39 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1jxm n LYS 558 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1jxm s PHE 559 N -2.66 2.20 0.29 2.13 0.40 -0.39 -0.68 117.98 119.27 1jxm s PHE 559 Ca -0.07 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 1jxm s PHE 559 Cb 0.07 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.33 1jxm s PHE 559 CO 0.64 0.18 0.56 0.20 0.70 0.00 0.00 175.22 177.50 1jxm s GLY 560 N -1.48 0.61 0.25 4.36 0.00 -0.38 -4.66 107.32 106.01 1jxm s GLY 560 Ca 0.11 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 44.02 1jxm s GLY 560 CO 0.03 -0.58 -0.01 -0.56 0.00 0.00 0.00 173.10 171.99 1jxm s SER 561 N -3.05 4.56 0.34 1.64 0.01 -1.26 -0.08 113.70 115.86 1jxm s SER 561 Ca 0.21 -0.60 0.05 0.00 1.31 0.00 0.00 55.95 56.93 1jxm s SER 561 Cb -0.02 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 1jxm s SER 561 CO 0.11 0.02 0.49 0.00 0.41 0.00 0.00 173.24 174.28 1jxm s VAL 563 N -2.22 4.88 0.71 0.00 1.01 -1.26 -5.05 120.40 118.47 1jxm s VAL 563 Ca 0.44 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 1jxm s VAL 563 Cb -0.10 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1jxm s VAL 563 CO 0.32 -0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.13 1jxm s PRO 564 N 2.74 2.85 0.13 2.72 0.05 -1.26 -4.73 135.00 137.50 1jxm s PRO 564 Ca 0.27 0.56 0.03 0.00 0.05 0.00 0.00 61.00 61.91 1jxm s PRO 564 Cb -0.15 -2.01 -0.04 0.00 0.05 0.00 0.00 34.50 32.36 1jxm s PRO 564 CO 0.13 -1.07 0.23 -1.01 0.05 0.00 0.00 177.00 175.33 1jxm s HIS 565 N -3.28 3.40 -0.02 0.56 3.76 0.51 -0.64 115.29 119.58 1jxm s HIS 565 Ca 0.58 0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 55.34 1jxm s HIS 565 Cb -0.12 -1.65 0.06 0.00 1.11 0.00 0.00 32.58 31.98 1jxm s HIS 565 CO 0.53 0.53 0.57 -0.08 -0.85 0.00 0.00 174.74 175.44 1jxm s THR 566 N -1.69 0.02 -1.28 1.30 -1.32 -0.85 -1.25 115.64 110.58 1jxm s THR 566 Ca 0.33 -0.15 0.22 0.00 -1.21 0.00 0.00 61.69 60.89 1jxm s THR 566 Cb -0.11 -0.92 -0.13 0.00 -1.51 0.00 0.00 72.50 69.83 1jxm s THR 566 CO 0.27 -0.08 1.04 0.35 -2.21 0.00 0.00 174.62 173.99 1jxm n THR 567 N 0.83 0.00 -2.01 5.08 -2.24 -0.62 -0.44 114.28 114.88 1jxm n THR 567 Ca -0.19 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1jxm n THR 567 Cb 0.58 0.94 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1jxm n THR 567 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jxm s ARG 568 N -2.86 3.06 0.36 -0.78 1.70 -1.26 -4.83 118.95 114.34 1jxm s ARG 568 Ca 0.12 1.54 -0.28 0.00 -0.47 0.00 0.00 55.73 56.64 1jxm s ARG 568 Cb 0.17 -1.97 -0.11 0.00 -0.57 0.00 0.00 34.95 32.47 1jxm s ARG 568 CO 0.76 -1.08 1.42 -1.25 -1.08 0.00 0.00 175.30 174.07 1jxm s PRO 569 N -3.64 4.18 0.12 3.89 0.06 -1.26 -4.83 135.00 133.52 1jxm s PRO 569 Ca 0.71 2.43 -0.30 0.00 0.06 0.00 0.00 61.00 63.90 1jxm s PRO 569 Cb -0.23 -2.99 -0.07 0.00 0.06 0.00 0.00 34.50 31.27 1jxm s PRO 569 CO 0.34 -0.42 1.15 0.21 0.06 0.00 0.00 177.00 178.34 1jxm s LYS 570 N -2.00 4.51 0.77 4.56 2.20 -1.26 -5.02 119.74 123.50 1jxm s LYS 570 Ca 0.52 1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.76 1jxm s LYS 570 Cb -0.44 -3.31 0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1jxm s LYS 570 CO 0.59 -0.09 1.08 1.03 -0.36 0.00 0.00 175.35 177.61 1jxm s ARG 571 N 0.31 2.29 0.36 4.03 0.52 -1.26 -4.93 118.95 120.27 1jxm s ARG 571 Ca 0.54 1.04 0.05 0.00 -0.52 0.00 0.00 55.73 56.84 1jxm s ARG 571 Cb -0.29 -1.91 0.71 0.00 0.52 0.00 0.00 34.95 33.98 1jxm s ARG 571 CO 0.32 -1.58 1.99 1.05 0.02 0.00 0.00 175.30 177.10 1jxm h GLU 572 N -1.08 0.75 0.00 3.54 -0.00 -2.06 -2.59 114.58 113.14 1jxm h GLU 572 Ca -0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1jxm h GLU 572 Cb 1.23 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.81 1jxm h GLU 572 CO 0.53 0.50 -0.20 2.48 -0.00 0.00 0.00 179.01 182.32 1jxm n TYR 573 N -4.46 0.28 -2.24 2.06 0.18 -1.26 -4.91 117.16 106.81 1jxm n TYR 573 Ca 0.08 0.08 -0.31 0.00 1.88 0.00 0.00 57.90 59.63 1jxm n TYR 573 Cb 0.14 -0.56 -0.01 0.00 -0.38 0.00 0.00 39.34 38.52 1jxm n TYR 573 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1jxm s GLU 574 N -3.05 3.75 -0.09 -3.48 2.02 -0.98 -5.07 118.70 111.80 1jxm s GLU 574 Ca 0.12 0.76 0.04 0.00 0.02 0.00 0.00 54.97 55.90 1jxm s GLU 574 Cb 0.16 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1jxm s GLU 574 CO 0.61 -0.37 -0.23 0.42 0.02 0.00 0.00 175.26 175.72 1jxm s ILE 575 N -2.84 1.94 0.15 -1.63 1.01 -1.26 -4.87 121.20 113.70 1jxm s ILE 575 Ca 0.56 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 1jxm s ILE 575 Cb -0.10 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.60 1jxm s ILE 575 CO 0.42 0.53 1.29 -0.62 0.00 0.00 0.00 174.94 176.57 1jxm s ASP 576 N 0.35 6.94 0.00 3.58 2.15 -1.26 -1.40 116.67 127.02 1jxm s ASP 576 Ca -0.17 2.29 0.00 0.00 0.43 0.00 0.00 52.55 55.10 1jxm s ASP 576 Cb -0.17 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1jxm s ASP 576 CO 0.08 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 1jxm n GLY 577 N 2.77 1.16 0.79 2.66 0.00 -0.06 -4.83 105.19 107.68 1jxm n GLY 577 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1jxm n GLY 577 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jxm n ARG 578 N -2.00 0.10 -0.01 1.61 0.63 -0.93 -4.85 116.66 111.21 1jxm n ARG 578 Ca 0.00 0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.86 1jxm n ARG 578 Cb 0.00 -0.58 -0.09 0.00 0.45 0.00 0.00 32.46 32.24 1jxm n ARG 578 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1jxm h ASP 579 N -0.19 -0.07 -5.19 6.15 5.19 -1.55 -3.47 116.42 117.29 1jxm h ASP 579 Ca 0.00 -0.56 -0.06 0.00 -0.62 0.00 0.00 57.03 55.79 1jxm h ASP 579 Cb 0.19 0.02 -0.11 0.00 0.18 0.00 0.00 39.33 39.61 1jxm h ASP 579 CO 0.00 0.61 -0.13 -0.31 -3.12 0.00 0.00 179.24 176.29 1jxm s TYR 580 N -3.00 0.19 -0.52 4.55 1.51 -1.26 -4.49 117.35 114.33 1jxm s TYR 580 Ca -0.14 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.20 1jxm s TYR 580 Cb -0.01 0.18 0.09 0.00 -0.11 0.00 0.00 41.96 42.11 1jxm s TYR 580 CO 0.54 -0.87 0.55 -1.01 -1.11 0.00 0.00 175.55 173.66 1jxm s HIS 581 N -3.94 3.13 -0.35 2.71 3.76 0.19 -0.88 115.29 119.91 1jxm s HIS 581 Ca 0.15 -0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.88 1jxm s HIS 581 Cb 0.01 -3.60 0.01 0.00 1.11 0.00 0.00 32.58 30.11 1jxm s HIS 581 CO 0.01 -1.03 1.19 -0.06 -0.85 0.00 0.00 174.74 174.00 1jxm s PHE 582 N 2.16 2.87 0.03 1.40 0.40 -1.26 -2.00 117.98 121.58 1jxm s PHE 582 Ca 0.09 0.95 -0.28 0.00 -0.60 0.00 0.00 56.93 57.09 1jxm s PHE 582 Cb -0.24 -3.96 -0.04 0.00 0.51 0.00 0.00 43.02 39.29 1jxm s PHE 582 CO 0.07 -1.28 0.89 0.08 0.70 0.00 0.00 175.22 175.68 1jxm s VAL 583 N 4.17 4.78 0.09 -0.44 1.01 0.41 -4.97 120.40 125.45 1jxm s VAL 583 Ca 0.51 1.88 -0.36 0.00 0.00 0.00 0.00 61.98 64.01 1jxm s VAL 583 Cb -0.13 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 31.85 1jxm s VAL 583 CO 0.22 0.26 1.56 0.77 0.00 0.00 0.00 175.10 177.90 1jxm h SER 584 N 6.26 -1.42 -4.42 3.32 4.64 -1.93 -3.43 113.55 116.57 1jxm h SER 584 Ca -0.42 0.12 -0.68 0.00 -0.47 0.00 0.00 61.79 60.33 1jxm h SER 584 Cb 1.21 0.48 -0.28 0.00 -0.31 0.00 0.00 62.40 63.50 1jxm h SER 584 CO 0.73 -0.66 -0.88 -0.94 -0.87 0.00 0.00 176.83 174.22 1jxm s SER 585 N -4.39 3.03 0.48 4.97 1.04 -1.26 -5.01 113.70 112.57 1jxm s SER 585 Ca -0.18 -0.53 0.16 0.00 0.48 0.00 0.00 55.95 55.88 1jxm s SER 585 Cb 0.04 -0.30 1.15 0.00 0.10 0.00 0.00 66.02 67.01 1jxm s SER 585 CO 0.60 0.27 2.07 -0.09 0.98 0.00 0.00 173.24 177.07 1jxm h ARG 586 N 5.10 0.00 -0.84 4.02 2.43 -1.90 -1.77 114.38 121.42 1jxm h ARG 586 Ca -0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1jxm h ARG 586 Cb 1.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1jxm h ARG 586 CO 0.45 0.10 0.39 0.93 -1.51 0.00 0.00 179.97 180.33 1jxm h GLU 587 N 0.00 1.21 -0.49 0.20 5.08 -1.99 -0.97 114.58 117.62 1jxm h GLU 587 Ca -0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1jxm h GLU 587 Cb 0.17 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1jxm h GLU 587 CO 0.01 0.94 0.08 1.57 -1.00 0.00 0.00 179.01 180.61 1jxm h LYS 588 N 1.20 0.81 0.02 2.33 2.10 -1.75 -1.61 116.57 119.66 1jxm h LYS 588 Ca 0.29 -0.22 0.02 0.00 -2.00 0.00 0.00 60.65 58.74 1jxm h LYS 588 Cb 0.14 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.35 1jxm h LYS 588 CO -0.03 0.81 -0.11 1.98 -2.00 0.00 0.00 179.45 180.09 1jxm h MET 589 N 0.68 -0.19 -0.92 0.07 -1.53 -1.18 -0.95 114.93 110.90 1jxm h MET 589 Ca 0.15 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.46 1jxm h MET 589 Cb 0.39 0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.43 1jxm h MET 589 CO 0.01 -0.13 0.61 0.93 0.14 0.00 0.00 176.91 178.47 1jxm h GLU 590 N -0.20 1.11 -0.22 0.39 5.08 -1.08 -0.64 114.58 119.02 1jxm h GLU 590 Ca 0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jxm h GLU 590 Cb 0.24 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1jxm h GLU 590 CO -0.10 0.73 0.09 0.87 -1.00 0.00 0.00 179.01 179.60 1jxm h LYS 591 N 1.14 0.33 -0.75 2.33 1.57 -0.75 -0.35 116.57 120.09 1jxm h LYS 591 Ca 0.37 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1jxm h LYS 591 Cb 0.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1jxm h LYS 591 CO -0.12 0.38 0.33 -0.44 -0.57 0.00 0.00 179.45 179.03 1jxm h ASP 592 N 0.20 1.00 -0.43 0.86 3.32 -0.69 0.11 116.42 120.79 1jxm h ASP 592 Ca 0.07 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1jxm h ASP 592 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1jxm h ASP 592 CO -0.01 0.87 0.18 0.40 -1.72 0.00 0.00 179.24 178.97 1jxm h ILE 593 N 1.08 1.20 0.00 0.35 2.04 -0.86 -0.87 117.51 120.44 1jxm h ILE 593 Ca 0.26 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1jxm h ILE 593 Cb 0.16 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1jxm h ILE 593 CO -0.03 0.22 -0.23 1.56 0.00 0.00 0.00 178.15 179.67 1jxm h GLN 594 N 0.56 0.00 -0.39 2.37 4.20 -0.61 -1.49 115.11 119.74 1jxm h GLN 594 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jxm h GLN 594 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1jxm h GLN 594 CO -0.01 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.38 1jxm n ALA 595 N -2.39 2.57 -3.62 3.87 0.00 -0.01 -4.88 120.51 116.05 1jxm n ALA 595 Ca -0.02 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1jxm n ALA 595 Cb 0.32 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.83 1jxm n ALA 595 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxm n HIS 596 N 0.00 -2.43 1.02 0.00 -0.00 -0.56 -4.90 115.22 108.35 1jxm n HIS 596 Ca 0.05 0.95 0.12 0.00 -0.00 0.00 0.00 57.72 58.84 1jxm n HIS 596 Cb 0.23 -4.78 0.16 0.00 -0.00 0.00 0.00 29.99 25.60 1jxm n HIS 596 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1jxm n LYS 597 N -4.58 0.11 -4.89 -0.41 -0.00 -0.41 -4.91 118.16 103.06 1jxm n LYS 597 Ca -0.12 -0.07 -0.31 0.00 -0.00 0.00 0.00 58.31 57.81 1jxm n LYS 597 Cb 0.60 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 34.00 1jxm n LYS 597 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1jxm s PHE 598 N -2.94 2.44 0.10 5.58 0.40 -1.26 -1.83 117.98 120.47 1jxm s PHE 598 Ca 0.12 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1jxm s PHE 598 Cb 0.17 -1.46 -0.15 0.00 0.51 0.00 0.00 43.02 42.09 1jxm s PHE 598 CO 0.72 0.15 1.27 0.97 0.70 0.00 0.00 175.22 179.03 1jxm h ILE 599 N 4.19 1.31 -2.03 0.64 6.09 -1.15 -3.46 117.51 123.10 1jxm h ILE 599 Ca -0.46 -2.19 -0.06 0.00 -1.37 0.00 0.00 64.86 60.78 1jxm h ILE 599 Cb 1.14 2.24 -0.19 0.00 0.47 0.00 0.00 36.82 40.48 1jxm h ILE 599 CO 0.46 0.68 0.18 -0.70 -3.07 0.00 0.00 178.15 175.70 1jxm s GLU 600 N -3.47 1.05 0.20 2.19 2.12 -1.16 -4.65 118.70 114.98 1jxm s GLU 600 Ca -0.09 0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.35 1jxm s GLU 600 Cb 0.08 0.50 0.01 0.00 0.26 0.00 0.00 34.13 34.98 1jxm s GLU 600 CO 0.90 -0.33 0.45 0.00 -0.54 0.00 0.00 175.26 175.73 1jxm s ALA 601 N -1.22 -0.47 0.23 6.30 0.00 -1.26 -0.16 121.76 125.18 1jxm s ALA 601 Ca -0.11 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 1jxm s ALA 601 Cb -0.00 0.92 0.07 0.00 0.00 0.00 0.00 23.12 24.11 1jxm s ALA 601 CO 0.10 -0.78 1.00 0.20 0.00 0.00 0.00 175.76 176.27 1jxm s GLY 602 N -2.94 0.20 -0.08 0.00 0.00 0.54 -4.98 107.32 100.06 1jxm s GLY 602 Ca 0.15 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.45 1jxm s GLY 602 CO 0.02 2.18 -0.22 1.62 0.00 0.00 0.00 173.10 176.70 1jxm s GLN 603 N -2.07 2.59 -0.06 2.90 0.74 -1.26 -0.93 119.66 121.56 1jxm s GLN 603 Ca 0.22 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1jxm s GLN 603 Cb -0.03 -2.07 0.01 0.00 1.10 0.00 0.00 33.01 32.03 1jxm s GLN 603 CO 0.07 0.23 -0.11 -0.47 -0.55 0.00 0.00 175.29 174.46 1jxm s TYR 604 N 0.19 1.34 0.00 1.67 5.04 -0.15 -4.93 117.35 120.51 1jxm s TYR 604 Ca -0.12 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1jxm s TYR 604 Cb -0.16 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.16 1jxm s TYR 604 CO 0.06 -0.26 0.00 0.09 -1.34 0.00 0.00 175.55 174.10 1jxm n ASN 605 N 3.82 0.00 -0.14 4.32 3.02 -1.26 -1.60 115.26 123.42 1jxm n ASN 605 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1jxm n ASN 605 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1jxm n ASN 605 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jxm n SER 606 N 4.54 0.00 -4.45 6.41 7.64 -1.26 -5.12 113.62 121.38 1jxm n SER 606 Ca 0.00 -1.11 -0.23 0.00 1.01 0.00 0.00 58.87 58.54 1jxm n SER 606 Cb 0.00 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.08 1jxm n SER 606 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1jxm s HIS 607 N 0.00 2.16 0.11 1.43 3.76 -0.62 -5.04 115.29 117.09 1jxm s HIS 607 Ca 0.00 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 1jxm s HIS 607 Cb 0.00 -1.01 -0.06 0.00 1.11 0.00 0.00 32.58 32.63 1jxm s HIS 607 CO 0.00 0.60 0.40 -0.51 -0.85 0.00 0.00 174.74 174.39 1jxm s LEU 608 N -3.48 4.31 0.00 0.89 1.43 -1.26 -0.97 118.68 119.60 1jxm s LEU 608 Ca 0.29 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1jxm s LEU 608 Cb -0.03 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.06 1jxm s LEU 608 CO 0.13 0.12 -0.03 -0.31 0.23 0.00 0.00 176.35 176.49 1jxm s TYR 609 N -1.51 0.28 0.03 0.29 1.51 -0.11 -1.60 117.35 116.24 1jxm s TYR 609 Ca 0.36 -0.10 -0.23 0.00 -1.01 0.00 0.00 57.07 56.09 1jxm s TYR 609 Cb -0.13 -0.18 0.05 0.00 -0.11 0.00 0.00 41.96 41.59 1jxm s TYR 609 CO 0.20 -0.02 0.53 0.20 -1.11 0.00 0.00 175.55 175.35 1jxm s GLY 610 N -0.24 -0.43 -0.41 0.71 0.00 -0.38 -0.34 107.32 106.22 1jxm s GLY 610 Ca -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 1jxm s GLY 610 CO -0.00 0.39 0.26 -1.59 0.00 0.00 0.00 173.10 172.16 1jxm s THR 611 N -2.16 4.43 0.49 0.90 2.01 0.78 -0.36 115.64 121.71 1jxm s THR 611 Ca -0.07 -1.21 -0.19 0.00 0.31 0.00 0.00 61.69 60.53 1jxm s THR 611 Cb -0.01 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1jxm s THR 611 CO 0.01 -0.43 1.00 -0.94 -0.69 0.00 0.00 174.62 173.56 1jxm s SER 612 N 2.00 6.54 0.16 3.53 1.04 -1.26 -0.65 113.70 125.06 1jxm s SER 612 Ca 0.03 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.08 1jxm s SER 612 Cb -0.22 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.42 1jxm s SER 612 CO 0.04 -0.64 1.78 0.58 0.98 0.00 0.00 173.24 175.97 1jxm h VAL 613 N 1.42 1.18 -0.75 5.02 2.07 -1.68 -2.74 116.25 120.76 1jxm h VAL 613 Ca -0.48 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1jxm h VAL 613 Cb 1.20 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1jxm h VAL 613 CO 0.60 0.19 0.43 -0.61 0.02 0.00 0.00 177.57 178.20 1jxm h GLN 614 N 0.70 1.04 -0.81 1.57 5.75 -1.94 0.11 115.11 121.54 1jxm h GLN 614 Ca 0.18 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1jxm h GLN 614 Cb 0.05 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1jxm h GLN 614 CO -0.03 0.76 0.46 0.77 -2.65 0.00 0.00 178.83 178.14 1jxm h SER 615 N 1.04 0.99 -0.14 -0.69 0.02 -1.83 -0.65 113.55 112.28 1jxm h SER 615 Ca 0.27 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1jxm h SER 615 Cb 0.00 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.29 1jxm h SER 615 CO -0.05 0.78 -0.24 0.58 -1.14 0.00 0.00 176.83 176.76 1jxm h VAL 616 N 1.12 1.36 -0.74 2.27 2.07 -1.18 -3.13 116.25 118.02 1jxm h VAL 616 Ca 0.29 -1.48 0.09 0.00 0.82 0.00 0.00 66.70 66.42 1jxm h VAL 616 Cb -0.01 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1jxm h VAL 616 CO -0.05 0.44 0.39 -0.09 0.02 0.00 0.00 177.57 178.28 1jxm h ARG 617 N 0.02 0.65 -0.86 1.57 2.43 -0.62 0.46 114.38 118.04 1jxm h ARG 617 Ca 0.01 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1jxm h ARG 617 Cb 0.82 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1jxm h ARG 617 CO 0.05 0.43 0.52 0.93 -1.51 0.00 0.00 179.97 180.40 1jxm h GLU 618 N 0.67 0.89 0.02 0.20 5.08 -1.11 0.42 114.58 120.75 1jxm h GLU 618 Ca 0.36 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1jxm h GLU 618 Cb 0.34 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1jxm h GLU 618 CO -0.25 0.59 -0.01 0.28 -1.00 0.00 0.00 179.01 178.62 1jxm h VAL 619 N 0.91 1.41 -0.37 3.13 2.07 -1.24 -2.90 116.25 119.27 1jxm h VAL 619 Ca 0.39 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1jxm h VAL 619 Cb 0.25 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1jxm h VAL 619 CO -0.20 0.35 0.21 0.00 0.02 0.00 0.00 177.57 177.94 1jxm h ALA 620 N 0.35 0.47 0.00 1.67 0.00 -0.57 -1.68 119.26 119.50 1jxm h ALA 620 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jxm h ALA 620 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jxm h ALA 620 CO 0.00 -0.14 -0.07 0.93 0.00 0.00 0.00 179.25 179.97 1jxm h GLU 621 N 0.43 0.00 0.00 0.00 5.08 -0.27 -0.62 114.58 119.20 1jxm h GLU 621 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jxm h GLU 621 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jxm h GLU 621 CO -0.08 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1jxm n GLN 622 N -3.51 0.06 -0.10 2.33 6.02 -0.65 -4.89 117.38 116.65 1jxm n GLN 622 Ca -0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1jxm n GLN 622 Cb 0.20 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1jxm n GLN 622 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jxm n GLY 623 N 0.85 0.84 3.40 1.08 0.00 -0.36 -5.04 105.19 105.97 1jxm n GLY 623 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1jxm n GLY 623 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jxm s LYS 624 N -0.90 2.05 -0.03 1.61 -2.85 -1.12 -4.69 119.74 113.80 1jxm s LYS 624 Ca 0.00 -0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 53.69 1jxm s LYS 624 Cb 0.00 -2.12 -0.06 0.00 -2.06 0.00 0.00 37.83 33.59 1jxm s LYS 624 CO 0.00 0.55 1.66 -1.01 0.10 0.00 0.00 175.35 176.65 1jxm s HIS 625 N -0.81 2.01 -0.38 1.78 3.76 0.15 -3.76 115.29 118.04 1jxm s HIS 625 Ca 0.13 0.19 -0.22 0.00 -0.15 0.00 0.00 55.06 55.00 1jxm s HIS 625 Cb -0.10 -3.93 0.01 0.00 1.11 0.00 0.00 32.58 29.67 1jxm s HIS 625 CO 0.03 -3.91 0.73 0.00 -0.85 0.00 0.00 174.74 170.74 1jxm s ILE 627 N 3.00 4.07 -0.13 0.00 -1.09 0.88 0.07 121.20 128.01 1jxm s ILE 627 Ca 0.29 1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 59.75 1jxm s ILE 627 Cb -0.13 -4.35 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1jxm s ILE 627 CO 0.17 -0.80 0.14 -0.76 -1.23 0.00 0.00 174.94 172.47 1jxm s LEU 628 N 4.85 4.36 -0.81 2.97 1.43 0.72 -4.59 118.68 127.62 1jxm s LEU 628 Ca 0.55 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1jxm s LEU 628 Cb -0.12 -2.08 0.25 0.00 0.03 0.00 0.00 46.19 44.28 1jxm s LEU 628 CO 0.30 0.37 0.93 -0.67 0.23 0.00 0.00 176.35 177.51 1jxm n ASP 629 N 2.25 4.50 -4.23 2.29 4.64 -1.26 -4.38 116.55 120.35 1jxm n ASP 629 Ca -0.19 -3.37 -0.13 0.00 -1.38 0.00 0.00 54.79 49.72 1jxm n ASP 629 Cb 0.54 -0.90 -0.10 0.00 -1.04 0.00 0.00 41.12 39.62 1jxm n ASP 629 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1jxm s VAL 630 N -2.31 0.57 0.94 5.18 -7.23 -1.26 -5.12 120.40 111.17 1jxm s VAL 630 Ca 0.34 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 1jxm s VAL 630 Cb 0.07 -2.17 0.16 0.00 0.56 0.00 0.00 36.38 35.00 1jxm s VAL 630 CO -0.01 -0.42 1.14 -0.94 -0.31 0.00 0.00 175.10 174.56 1jxm s SER 631 N -3.17 3.23 0.44 4.85 1.04 -1.26 -4.92 113.70 113.91 1jxm s SER 631 Ca 0.26 0.94 0.31 0.00 0.48 0.00 0.00 55.95 57.93 1jxm s SER 631 Cb 0.06 -1.48 1.50 0.00 0.10 0.00 0.00 66.02 66.21 1jxm s SER 631 CO 0.05 -2.72 1.92 0.00 0.98 0.00 0.00 173.24 173.47 1jxm h ALA 632 N -1.62 1.00 0.00 5.32 0.00 -1.99 -2.42 119.26 119.56 1jxm h ALA 632 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jxm h ALA 632 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jxm h ALA 632 CO 0.59 0.00 -0.02 -0.91 0.00 0.00 0.00 179.25 178.91 1jxm h ASN 633 N 0.00 0.00 0.62 0.00 2.35 -1.98 -2.35 115.58 114.22 1jxm h ASN 633 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1jxm h ASN 633 Cb 0.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1jxm h ASN 633 CO 0.00 0.02 -0.13 0.00 -1.65 0.00 0.00 177.43 175.67 1jxm h ALA 634 N 1.98 1.13 -0.34 -0.83 0.00 -1.70 -3.28 119.26 116.23 1jxm h ALA 634 Ca -0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1jxm h ALA 634 Cb 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1jxm h ALA 634 CO 0.00 0.16 -0.06 0.28 0.00 0.00 0.00 179.25 179.64 1jxm h VAL 635 N 0.00 0.69 -0.59 0.00 2.07 -1.63 0.10 116.25 116.88 1jxm h VAL 635 Ca -0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 1jxm h VAL 635 Cb 0.48 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1jxm h VAL 635 CO 0.02 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.78 1jxm h ARG 636 N 0.03 0.92 -0.70 1.57 2.47 -1.78 -0.60 114.38 116.29 1jxm h ARG 636 Ca 0.16 -0.20 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1jxm h ARG 636 Cb 0.24 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 1jxm h ARG 636 CO -0.32 0.82 0.14 0.00 0.56 0.00 0.00 179.97 181.17 1jxm h ARG 637 N 0.88 1.13 -0.41 0.04 3.08 -1.52 -1.10 114.38 116.48 1jxm h ARG 637 Ca 0.19 -0.29 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1jxm h ARG 637 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1jxm h ARG 637 CO 0.00 1.01 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.52 1jxm h LEU 638 N 1.07 0.99 -0.38 3.04 3.38 -0.68 -2.33 115.31 120.40 1jxm h LEU 638 Ca 0.22 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jxm h LEU 638 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jxm h LEU 638 CO 0.01 1.23 0.24 1.56 0.09 0.00 0.00 178.44 181.56 1jxm h GLN 639 N 0.77 0.51 -0.01 1.13 4.20 -0.85 0.53 115.11 121.39 1jxm h GLN 639 Ca 0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1jxm h GLN 639 Cb 0.91 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1jxm h GLN 639 CO 0.08 0.36 -0.14 0.00 -0.67 0.00 0.00 178.83 178.46 1jxm h ALA 640 N 1.12 1.75 -0.07 3.87 0.00 -1.15 -1.22 119.26 123.55 1jxm h ALA 640 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jxm h ALA 640 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jxm h ALA 640 CO -0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1jxm n ALA 641 N -2.51 2.57 -2.74 0.00 0.00 -0.81 -4.90 120.51 112.12 1jxm n ALA 641 Ca -0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 1jxm n ALA 641 Cb 0.22 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.47 1jxm n ALA 641 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jxm n HIS 642 N -0.28 -1.29 -3.14 0.00 -0.00 -0.46 -4.94 115.22 105.10 1jxm n HIS 642 Ca 0.16 0.33 -0.24 0.00 -0.00 0.00 0.00 57.72 57.97 1jxm n HIS 642 Cb 0.19 -3.35 -0.05 0.00 -0.00 0.00 0.00 29.99 26.78 1jxm n HIS 642 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jxm n LEU 643 N -2.76 2.86 -4.52 2.41 4.77 0.11 -5.03 117.00 114.85 1jxm n LEU 643 Ca -0.08 -5.34 -0.49 0.00 -0.03 0.00 0.00 56.01 50.07 1jxm n LEU 643 Cb 0.58 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1jxm n LEU 643 CO 0.31 2.24 1.75 1.41 -1.33 0.00 0.00 177.39 181.77 1jxm n HIS 644 N 0.34 1.79 -2.33 -1.77 8.25 -1.26 -4.34 115.22 115.91 1jxm n HIS 644 Ca 0.28 0.17 -0.26 0.00 -0.26 0.00 0.00 57.72 57.65 1jxm n HIS 644 Cb 0.48 -2.58 0.04 0.00 1.12 0.00 0.00 29.99 29.05 1jxm n HIS 644 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jxm s PRO 645 N 5.85 2.68 -0.42 -0.41 0.04 -1.26 -4.15 135.00 137.32 1jxm s PRO 645 Ca 1.05 -0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 1jxm s PRO 645 Cb -0.74 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 31.65 1jxm s PRO 645 CO 0.47 -0.88 0.25 0.42 0.04 0.00 0.00 177.00 177.30 1jxm s ILE 646 N -3.08 3.88 -0.32 0.56 1.01 0.03 -4.93 121.20 118.36 1jxm s ILE 646 Ca 0.56 -1.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 1jxm s ILE 646 Cb -0.11 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1jxm s ILE 646 CO 0.45 -0.59 0.28 0.00 0.00 0.00 0.00 174.94 175.08 1jxm s ALA 647 N 1.32 3.51 -0.19 9.38 0.00 -1.26 -1.37 121.76 133.15 1jxm s ALA 647 Ca 0.04 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1jxm s ALA 647 Cb -0.23 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1jxm s ALA 647 CO -0.00 -0.90 -0.12 0.42 0.00 0.00 0.00 175.76 175.15 1jxm s ILE 648 N 1.84 2.73 -0.26 0.00 1.01 -0.02 0.69 121.20 127.20 1jxm s ILE 648 Ca 0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1jxm s ILE 648 Cb -0.17 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1jxm s ILE 648 CO 0.11 0.48 0.17 0.12 0.00 0.00 0.00 174.94 175.82 1jxm s PHE 649 N 1.31 3.27 -0.51 3.97 5.36 -0.62 0.22 117.98 130.98 1jxm s PHE 649 Ca 0.04 0.17 -0.21 0.00 -0.96 0.00 0.00 56.93 55.96 1jxm s PHE 649 Cb -0.14 -2.31 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 1jxm s PHE 649 CO -0.07 -0.04 0.76 0.42 -1.46 0.00 0.00 175.22 174.83 1jxm s ILE 650 N 1.37 4.67 -0.31 3.12 1.01 0.85 -1.25 121.20 130.66 1jxm s ILE 650 Ca 0.07 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 1jxm s ILE 650 Cb -0.15 -4.38 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1jxm s ILE 650 CO 0.07 -0.90 0.50 -0.60 0.00 0.00 0.00 174.94 174.01 1jxm s ARG 651 N 3.18 3.80 0.24 2.79 3.52 -0.46 -3.90 118.95 128.12 1jxm s ARG 651 Ca 0.22 0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 1jxm s ARG 651 Cb -0.16 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.40 1jxm s ARG 651 CO 0.16 -0.51 1.18 -2.14 -0.81 0.00 0.00 175.30 173.18 1jxm s PRO 652 N 2.33 4.52 0.40 5.12 0.02 -1.26 -4.58 135.00 141.55 1jxm s PRO 652 Ca 0.19 1.90 0.23 0.00 0.02 0.00 0.00 61.00 63.35 1jxm s PRO 652 Cb -0.16 -3.20 0.38 0.00 0.02 0.00 0.00 34.50 31.54 1jxm s PRO 652 CO 0.12 -0.01 1.60 0.00 -0.33 0.00 0.00 177.00 178.38 1jxm h ARG 653 N 4.55 0.00 -1.93 5.54 3.08 -1.92 -3.48 114.38 120.22 1jxm h ARG 653 Ca -0.46 0.00 0.36 0.00 0.07 0.00 0.00 59.98 59.95 1jxm h ARG 653 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 1jxm h ARG 653 CO 0.71 0.00 0.92 -1.54 -1.07 0.00 0.00 179.97 178.99 1jxm s SER 654 N -5.98 -0.00 0.18 7.04 1.04 -1.26 -4.94 113.70 109.78 1jxm s SER 654 Ca 0.07 -0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 1jxm s SER 654 Cb 0.06 0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.39 1jxm s SER 654 CO 0.67 -0.23 1.70 0.25 0.98 0.00 0.00 173.24 176.62 1jxm h LEU 655 N 2.00 0.98 -1.06 2.42 5.85 -1.94 -2.35 115.31 121.21 1jxm h LEU 655 Ca -0.24 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1jxm h LEU 655 Cb 1.19 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1jxm h LEU 655 CO 0.30 0.95 0.63 -0.33 -0.34 0.00 0.00 178.44 179.66 1jxm h GLU 656 N 0.97 1.20 -0.69 1.25 3.07 -1.98 -1.91 114.58 116.49 1jxm h GLU 656 Ca 0.21 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1jxm h GLU 656 Cb 0.34 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1jxm h GLU 656 CO -0.00 0.80 0.18 -0.97 -1.40 0.00 0.00 179.01 177.62 1jxm h ASN 657 N 1.24 1.02 -0.65 1.42 -1.24 -1.80 -2.23 115.58 113.33 1jxm h ASN 657 Ca 0.38 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.20 1jxm h ASN 657 Cb -0.03 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.72 1jxm h ASN 657 CO -0.11 0.96 0.42 0.58 -1.29 0.00 0.00 177.43 178.00 1jxm h VAL 658 N 1.03 1.13 0.00 2.57 2.07 -0.90 -0.77 116.25 121.38 1jxm h VAL 658 Ca 0.22 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1jxm h VAL 658 Cb 0.33 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jxm h VAL 658 CO -0.00 0.15 -0.06 -0.07 0.02 0.00 0.00 177.57 177.61 1jxm h LEU 659 N 0.85 0.00 0.16 2.57 3.38 -0.98 -2.37 115.31 118.92 1jxm h LEU 659 Ca 0.25 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.89 1jxm h LEU 659 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jxm h LEU 659 CO -0.07 0.06 -1.58 -0.33 0.09 0.00 0.00 178.44 176.60 1jxm h GLU 660 N 0.00 0.34 0.00 1.13 5.08 -0.61 -3.34 114.58 117.18 1jxm h GLU 660 Ca -0.00 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1jxm h GLU 660 Cb 0.20 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jxm h GLU 660 CO 0.01 1.24 -0.09 0.44 -1.00 0.00 0.00 179.01 179.61 1jxm n ILE 661 N -3.54 0.12 -3.44 3.13 -5.35 -0.56 -4.46 119.36 105.26 1jxm n ILE 661 Ca -0.19 -0.06 -0.19 0.00 -0.27 0.00 0.00 62.75 62.04 1jxm n ILE 661 Cb 1.06 -0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 38.44 1jxm n ILE 661 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jxm s ASN 662 N -3.32 1.97 0.00 7.28 3.84 -0.92 -4.16 114.94 119.63 1jxm s ASN 662 Ca 0.13 -0.79 0.31 0.00 0.21 0.00 0.00 52.86 52.72 1jxm s ASN 662 Cb 0.17 0.34 1.61 0.00 -0.55 0.00 0.00 41.25 42.83 1jxm s ASN 662 CO 0.57 -0.39 2.07 0.29 -2.79 0.00 0.00 177.10 176.85 1jxm n LYS 663 N 5.30 0.99 -0.08 0.43 4.76 -1.25 -4.11 118.16 124.19 1jxm n LYS 663 Ca -0.03 -0.20 -0.15 0.00 -2.87 0.00 0.00 58.31 55.06 1jxm n LYS 663 Cb 0.46 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 1jxm n LYS 663 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1jxm h ARG 664 N 0.49 0.00 -7.16 1.97 9.65 -1.95 -3.48 114.38 113.89 1jxm h ARG 664 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 1jxm h ARG 664 Cb 0.18 0.00 0.17 0.00 -1.39 0.00 0.00 29.97 28.92 1jxm h ARG 664 CO 0.00 0.79 0.43 0.96 2.80 0.00 0.00 179.97 184.95 1jxm s ILE 665 N -2.23 2.08 0.81 1.20 -4.36 -1.26 -5.02 121.20 112.42 1jxm s ILE 665 Ca -0.21 0.04 -0.12 0.00 -0.26 0.00 0.00 60.65 60.10 1jxm s ILE 665 Cb 0.02 -2.72 0.08 0.00 1.25 0.00 0.00 42.46 41.08 1jxm s ILE 665 CO 0.53 -0.02 1.11 0.42 0.24 0.00 0.00 174.94 177.22 1jxm s THR 666 N -1.79 2.80 0.38 8.37 -4.23 -1.26 -4.85 115.64 115.06 1jxm s THR 666 Ca 0.78 0.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.59 1jxm s THR 666 Cb -0.33 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.71 1jxm s THR 666 CO 0.45 -0.34 2.03 1.05 -0.54 0.00 0.00 174.62 177.27 1jxm h GLU 667 N -1.11 0.67 -0.36 3.99 9.09 -1.99 -1.22 114.58 123.65 1jxm h GLU 667 Ca -0.47 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 58.77 1jxm h GLU 667 Cb 1.29 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 1jxm h GLU 667 CO 0.61 0.45 -0.25 1.05 0.05 0.00 0.00 179.01 180.92 1jxm h GLU 668 N 0.69 0.81 -0.18 1.06 -0.00 -2.00 -1.76 114.58 113.19 1jxm h GLU 668 Ca 0.18 -0.39 -0.09 0.00 -0.00 0.00 0.00 59.36 59.07 1jxm h GLU 668 Cb -0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.67 1jxm h GLU 668 CO -0.04 1.02 -0.29 1.96 -0.00 0.00 0.00 179.01 181.66 1jxm h GLN 669 N 0.60 0.35 -0.48 1.06 4.20 -1.82 -2.32 115.11 116.70 1jxm h GLN 669 Ca 0.07 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1jxm h GLN 669 Cb 0.82 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1jxm h GLN 669 CO 0.07 0.61 0.15 0.00 -0.67 0.00 0.00 178.83 178.99 1jxm h ALA 670 N 1.39 0.62 -0.64 3.87 0.00 -1.04 0.53 119.26 123.99 1jxm h ALA 670 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jxm h ALA 670 Cb 0.67 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1jxm h ALA 670 CO 0.05 0.27 0.31 0.07 0.00 0.00 0.00 179.25 179.95 1jxm h ARG 671 N 0.63 0.92 -0.60 0.00 -0.00 -1.07 0.10 114.38 114.36 1jxm h ARG 671 Ca 0.15 -0.13 -0.09 0.00 -0.00 0.00 0.00 59.98 59.91 1jxm h ARG 671 Cb 0.26 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.97 30.04 1jxm h ARG 671 CO -0.01 0.73 0.03 1.57 -0.00 0.00 0.00 179.97 182.29 1jxm h LYS 672 N 0.88 1.02 -0.54 0.08 5.09 -1.16 -1.34 116.57 120.60 1jxm h LYS 672 Ca 0.22 -0.30 -0.11 0.00 0.09 0.00 0.00 60.65 60.55 1jxm h LYS 672 Cb 0.11 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.32 1jxm h LYS 672 CO -0.03 0.98 -0.10 0.00 -2.09 0.00 0.00 179.45 178.22 1jxm h ALA 673 N 1.08 0.79 -0.59 0.07 0.00 -0.39 -1.81 119.26 118.42 1jxm h ALA 673 Ca 0.18 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1jxm h ALA 673 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jxm h ALA 673 CO 0.02 0.67 0.08 0.35 0.00 0.00 0.00 179.25 180.37 1jxm h PHE 674 N 0.91 1.01 -0.43 0.00 3.57 -0.58 -1.47 116.94 119.94 1jxm h PHE 674 Ca 0.14 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1jxm h PHE 674 Cb 0.66 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1jxm h PHE 674 CO 0.04 0.87 0.01 -0.44 -2.23 0.00 0.00 178.31 176.56 1jxm h ASP 675 N 0.90 0.74 -0.53 0.41 3.45 -1.02 -1.06 116.42 119.31 1jxm h ASP 675 Ca 0.18 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 1jxm h ASP 675 Cb 0.42 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1jxm h ASP 675 CO 0.01 0.86 0.24 0.03 -1.57 0.00 0.00 179.24 178.82 1jxm h ARG 676 N 0.60 0.76 -0.60 3.56 3.08 -1.14 -1.91 114.38 118.73 1jxm h ARG 676 Ca 0.12 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jxm h ARG 676 Cb 0.47 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1jxm h ARG 676 CO 0.02 0.64 0.38 0.00 -1.07 0.00 0.00 179.97 179.94 1jxm h ALA 677 N 1.08 0.77 -0.41 0.04 0.00 -1.08 0.20 119.26 119.86 1jxm h ALA 677 Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1jxm h ALA 677 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jxm h ALA 677 CO -0.02 0.23 0.22 1.15 0.00 0.00 0.00 179.25 180.83 1jxm h THR 678 N 0.81 1.00 -0.39 0.00 2.02 -0.95 -0.10 112.91 115.30 1jxm h THR 678 Ca 0.22 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1jxm h THR 678 Cb -0.05 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1jxm h THR 678 CO -0.04 0.08 -0.16 0.11 0.37 0.00 0.00 175.52 175.88 1jxm h LYS 679 N 0.44 0.73 -0.40 6.66 1.57 -0.87 -1.31 116.57 123.38 1jxm h LYS 679 Ca 0.17 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1jxm h LYS 679 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1jxm h LYS 679 CO -0.10 0.85 0.11 1.25 -0.57 0.00 0.00 179.45 180.98 1jxm h LEU 680 N 0.65 0.60 -0.54 2.94 5.85 -0.07 -1.87 115.31 122.87 1jxm h LEU 680 Ca 0.10 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1jxm h LEU 680 Cb 0.63 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1jxm h LEU 680 CO 0.04 0.66 0.00 -0.08 -0.34 0.00 0.00 178.44 178.73 1jxm h GLU 681 N 0.51 0.96 -0.81 1.25 4.81 -0.84 -0.08 114.58 120.37 1jxm h GLU 681 Ca 0.13 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1jxm h GLU 681 Cb 0.29 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1jxm h GLU 681 CO -0.00 0.97 0.52 1.96 -0.73 0.00 0.00 179.01 181.73 1jxm h GLN 682 N 0.84 0.99 0.11 1.92 4.20 -1.07 -2.84 115.11 119.26 1jxm h GLN 682 Ca 0.15 -0.06 -0.32 0.00 0.06 0.00 0.00 58.65 58.48 1jxm h GLN 682 Cb 0.53 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1jxm h GLN 682 CO 0.03 0.65 -1.67 1.49 -0.67 0.00 0.00 178.83 178.66 1jxm h GLU 683 N 1.02 0.24 -0.07 1.46 4.81 -1.16 -3.42 114.58 117.45 1jxm h GLU 683 Ca 0.32 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1jxm h GLU 683 Cb -0.00 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1jxm h GLU 683 CO -0.11 1.07 0.00 1.19 -0.73 0.00 0.00 179.01 180.43 1jxm n PHE 684 N -3.42 0.19 -0.32 0.92 3.01 -0.06 -4.78 117.46 113.00 1jxm n PHE 684 Ca -0.20 -0.78 0.16 0.00 1.01 0.00 0.00 57.45 57.64 1jxm n PHE 684 Cb 1.05 -0.13 0.35 0.00 -0.01 0.00 0.00 39.48 40.74 1jxm n PHE 684 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jxm h THR 685 N 0.48 0.46 0.00 4.37 2.02 -1.67 0.10 112.91 118.67 1jxm h THR 685 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1jxm h THR 685 Cb 0.89 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1jxm h THR 685 CO 0.03 0.08 -0.03 1.05 0.37 0.00 0.00 175.52 177.03 1jxm h GLU 686 N 0.43 0.00 0.00 6.66 4.11 -1.89 -2.27 114.58 121.63 1jxm h GLU 686 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 1jxm h GLU 686 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1jxm h GLU 686 CO -0.53 0.03 -0.61 0.00 0.07 0.00 0.00 179.01 177.97 1jxm s PHE 688 N -3.22 3.07 -0.03 0.00 2.99 -0.85 -4.73 117.98 115.21 1jxm s PHE 688 Ca 0.05 1.52 0.12 0.00 0.00 0.00 0.00 56.93 58.62 1jxm s PHE 688 Cb 0.11 -3.48 -0.20 0.00 0.00 0.00 0.00 43.02 39.45 1jxm s PHE 688 CO 0.72 -1.48 0.85 0.77 -0.00 0.00 0.00 175.22 176.09 1jxm h SER 689 N 2.89 0.00 -4.88 1.36 0.02 -0.07 -3.48 113.55 109.39 1jxm h SER 689 Ca -0.49 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1jxm h SER 689 Cb 1.23 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 1jxm h SER 689 CO 0.63 0.91 0.32 0.00 -1.14 0.00 0.00 176.83 177.56 1jxm s ALA 690 N -2.69 -1.66 -0.08 3.77 0.00 -1.04 -4.68 121.76 115.38 1jxm s ALA 690 Ca -0.03 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1jxm s ALA 690 Cb 0.08 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1jxm s ALA 690 CO 0.82 -0.76 -0.13 0.42 0.00 0.00 0.00 175.76 176.11 1jxm s ILE 691 N -3.52 1.23 0.11 0.00 1.01 -1.26 -1.59 121.20 117.19 1jxm s ILE 691 Ca 0.03 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1jxm s ILE 691 Cb -0.01 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1jxm s ILE 691 CO -0.10 0.38 -0.26 0.68 0.00 0.00 0.00 174.94 175.64 1jxm s VAL 692 N 0.83 2.18 0.10 2.92 -7.23 -0.38 -4.97 120.40 113.85 1jxm s VAL 692 Ca -0.11 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1jxm s VAL 692 Cb -0.15 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 1jxm s VAL 692 CO 0.02 0.12 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.29 1jxm s GLU 693 N -1.90 0.81 -0.03 4.82 2.02 -1.26 -1.35 118.70 121.80 1jxm s GLU 693 Ca 0.13 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.48 1jxm s GLU 693 Cb -0.10 -0.02 0.11 0.00 0.10 0.00 0.00 34.13 34.22 1jxm s GLU 693 CO 0.05 -0.09 0.99 0.20 0.02 0.00 0.00 175.26 176.43 1jxm s GLY 694 N -3.02 -0.40 0.05 -1.39 0.00 -1.26 -4.68 107.32 96.62 1jxm s GLY 694 Ca 0.13 1.05 0.26 0.00 0.00 0.00 0.00 44.72 46.16 1jxm s GLY 694 CO -0.05 0.34 1.62 1.22 0.00 0.00 0.00 173.10 176.24 1jxm n ASP 695 N -0.24 0.41 -3.78 1.64 8.00 -1.26 -4.90 116.55 116.42 1jxm n ASP 695 Ca -0.06 0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.54 1jxm n ASP 695 Cb 0.61 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 1jxm n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jxm s SER 696 N -3.45 -0.17 0.18 -2.24 1.04 -1.26 -4.53 113.70 103.27 1jxm s SER 696 Ca 0.11 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1jxm s SER 696 Cb 0.16 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.90 1jxm s SER 696 CO 0.63 -0.97 1.81 0.15 0.98 0.00 0.00 173.24 175.84 1jxm h PHE 697 N 2.33 0.83 -0.80 5.02 3.57 -1.81 -1.72 116.94 124.36 1jxm h PHE 697 Ca -0.31 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.34 1jxm h PHE 697 Cb 1.25 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 1jxm h PHE 697 CO 0.36 0.59 0.34 0.93 -2.23 0.00 0.00 178.31 178.29 1jxm h GLU 698 N 0.84 0.45 -0.41 1.11 3.07 -1.96 0.65 114.58 118.33 1jxm h GLU 698 Ca 0.22 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 1jxm h GLU 698 Cb 0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1jxm h GLU 698 CO -0.04 0.30 -0.13 1.49 -1.40 0.00 0.00 179.01 179.23 1jxm h GLU 699 N 0.47 0.80 -0.25 2.33 4.81 -1.85 -1.41 114.58 119.48 1jxm h GLU 699 Ca 0.45 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jxm h GLU 699 Cb 0.71 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1jxm h GLU 699 CO -0.42 0.94 0.16 0.82 -0.73 0.00 0.00 179.01 179.78 1jxm h ILE 700 N 0.62 1.08 -0.37 2.32 1.08 -0.12 -1.68 117.51 120.44 1jxm h ILE 700 Ca 0.10 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1jxm h ILE 700 Cb 0.66 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1jxm h ILE 700 CO 0.05 0.08 0.20 0.22 -0.69 0.00 0.00 178.15 178.01 1jxm h TYR 701 N 0.32 0.38 -0.51 1.37 3.20 0.35 0.43 116.97 122.51 1jxm h TYR 701 Ca 0.09 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1jxm h TYR 701 Cb -0.01 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1jxm h TYR 701 CO -0.05 0.22 0.22 1.25 -1.64 0.00 0.00 178.16 178.15 1jxm h HIS 702 N 0.42 0.39 -0.40 -3.82 2.76 -1.07 -2.11 115.15 111.32 1jxm h HIS 702 Ca 0.15 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1jxm h HIS 702 Cb 0.02 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1jxm h HIS 702 CO -0.08 0.16 -0.20 0.87 -1.30 0.00 0.00 177.93 177.38 1jxm h LYS 703 N 0.42 0.78 -0.24 5.26 1.57 -0.66 -1.68 116.57 122.02 1jxm h LYS 703 Ca 0.24 -0.31 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1jxm h LYS 703 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1jxm h LYS 703 CO -0.21 0.92 0.09 0.28 -0.57 0.00 0.00 179.45 179.96 1jxm h VAL 704 N 0.69 0.95 -0.90 0.50 2.07 -0.60 -0.90 116.25 118.05 1jxm h VAL 704 Ca 0.10 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1jxm h VAL 704 Cb 0.71 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1jxm h VAL 704 CO 0.05 0.04 0.50 0.11 0.02 0.00 0.00 177.57 178.29 1jxm h LYS 705 N 0.20 1.24 -0.72 1.57 1.57 -1.14 -1.62 116.57 117.67 1jxm h LYS 705 Ca 0.10 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1jxm h LYS 705 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1jxm h LYS 705 CO -0.10 0.90 0.38 0.00 -0.57 0.00 0.00 179.45 180.06 1jxm h ARG 706 N 1.25 1.01 0.01 3.15 2.47 -0.83 -1.32 114.38 120.13 1jxm h ARG 706 Ca 0.32 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1jxm h ARG 706 Cb 0.01 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 1jxm h ARG 706 CO -0.05 0.77 -0.01 0.28 0.56 0.00 0.00 179.97 181.52 1jxm h VAL 707 N 0.99 1.09 -0.56 2.04 2.07 -0.72 -0.42 116.25 120.74 1jxm h VAL 707 Ca 0.25 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1jxm h VAL 707 Cb 0.07 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1jxm h VAL 707 CO -0.04 0.08 0.27 0.40 0.02 0.00 0.00 177.57 178.31 1jxm h ILE 708 N -0.16 0.92 -0.04 4.57 2.04 -1.13 0.11 117.51 123.82 1jxm h ILE 708 Ca -0.00 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1jxm h ILE 708 Cb 0.15 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1jxm h ILE 708 CO 0.00 0.09 0.01 -0.33 0.00 0.00 0.00 178.15 177.92 1jxm h GLU 709 N 0.51 0.02 -0.44 2.37 5.08 -1.06 -1.48 114.58 119.59 1jxm h GLU 709 Ca 0.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1jxm h GLU 709 Cb 0.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1jxm h GLU 709 CO -0.19 0.02 0.20 -0.44 -1.00 0.00 0.00 179.01 177.59 1jxm h ASP 710 N 0.03 0.55 -0.34 1.42 3.32 -0.36 -2.91 116.42 118.12 1jxm h ASP 710 Ca 0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1jxm h ASP 710 Cb 0.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1jxm h ASP 710 CO -0.03 0.48 0.00 0.18 -1.72 0.00 0.00 179.24 178.15 1jxm n LEU 711 N -4.39 2.91 0.00 1.55 4.77 0.31 -4.89 117.00 117.26 1jxm n LEU 711 Ca 0.03 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1jxm n LEU 711 Cb 0.13 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1jxm n LEU 711 CO 0.37 0.63 0.00 -1.20 -1.33 0.00 0.00 177.39 175.86 1jxm n SER 712 N 1.13 0.00 -0.94 -1.43 7.64 -0.58 -4.92 113.62 114.53 1jxm n SER 712 Ca 0.18 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.18 1jxm n SER 712 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 1jxm n SER 712 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jxm n GLY 713 N 5.00 -2.72 0.31 0.23 0.00 -1.26 -4.56 105.19 102.19 1jxm n GLY 713 Ca 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 1jxm n GLY 713 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jxm h PRO 714 N -0.91 0.83 -4.99 1.61 0.11 -1.95 -3.42 132.00 123.28 1jxm h PRO 714 Ca -0.09 -0.13 -0.64 0.00 0.11 0.00 0.00 66.00 65.25 1jxm h PRO 714 Cb 0.89 -0.14 -0.19 0.00 0.11 0.00 0.00 31.00 31.66 1jxm h PRO 714 CO 0.04 0.69 -0.57 0.71 -0.21 0.00 0.00 178.00 178.66 1jxm s TYR 715 N -5.36 3.18 0.14 0.65 1.51 -1.26 -0.45 117.35 115.76 1jxm s TYR 715 Ca -0.10 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1jxm s TYR 715 Cb 0.16 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1jxm s TYR 715 CO 0.79 -0.18 -0.12 0.96 -1.11 0.00 0.00 175.55 175.89 1jxm s ILE 716 N 1.46 1.29 -0.20 2.71 -4.36 -0.58 -4.94 121.20 116.57 1jxm s ILE 716 Ca 0.06 -1.89 -0.16 0.00 -0.26 0.00 0.00 60.65 58.40 1jxm s ILE 716 Cb -0.15 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1jxm s ILE 716 CO 0.06 -0.57 0.40 0.26 0.24 0.00 0.00 174.94 175.34 1jxm s TRP 717 N -2.68 3.37 0.28 1.37 0.52 -1.26 -1.14 118.94 119.39 1jxm s TRP 717 Ca 0.13 0.62 0.06 0.00 0.02 0.00 0.00 56.10 56.94 1jxm s TRP 717 Cb -0.02 -2.53 -0.06 0.00 -1.15 0.00 0.00 33.47 29.71 1jxm s TRP 717 CO 0.02 -0.01 -0.05 0.14 0.02 0.00 0.00 176.95 177.07 1jxm s VAL 718 N 1.32 1.58 0.31 4.03 -7.23 0.11 -4.92 120.40 115.61 1jxm s VAL 718 Ca 0.19 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 1jxm s VAL 718 Cb -0.15 -2.45 -0.13 0.00 0.56 0.00 0.00 36.38 34.22 1jxm s VAL 718 CO 0.08 -0.30 1.35 -2.65 -0.31 0.00 0.00 175.10 173.27 1jxm n PRO 719 N -0.57 2.14 -3.19 4.82 -0.02 -1.26 -0.34 135.00 136.58 1jxm n PRO 719 Ca -0.05 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 1jxm n PRO 719 Cb 0.63 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1jxm n PRO 719 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jxm s ALA 720 N -0.69 4.42 0.08 3.55 0.00 -0.65 -4.54 121.76 123.92 1jxm s ALA 720 Ca 0.60 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 51.04 1jxm s ALA 720 Cb -0.59 -1.64 -0.22 0.00 0.00 0.00 0.00 23.12 20.67 1jxm s ALA 720 CO 0.57 -0.19 1.12 0.00 0.00 0.00 0.00 175.76 177.26 1jxm h ARG 721 N 0.74 0.01 -7.04 0.00 3.08 -1.94 -3.46 114.38 105.76 1jxm h ARG 721 Ca -0.42 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.07 1jxm h ARG 721 Cb 1.27 0.01 0.12 0.00 0.08 0.00 0.00 29.97 31.45 1jxm h ARG 721 CO 0.48 0.88 0.57 -1.21 -1.07 0.00 0.00 179.97 179.62 1jxm s GLU 722 N -2.68 3.23 -0.02 0.04 2.02 -1.26 -5.02 118.70 115.02 1jxm s GLU 722 Ca -0.01 2.10 0.06 0.00 0.02 0.00 0.00 54.97 57.14 1jxm s GLU 722 Cb 0.09 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1jxm s GLU 722 CO 0.82 -1.07 -0.19 1.03 0.02 0.00 0.00 175.26 175.87 1jxm s ARG 723 N -2.91 1.54 0.00 1.61 3.00 -1.26 -4.60 118.95 116.32 1jxm s ARG 723 Ca 0.71 -0.67 0.12 0.00 0.00 0.00 0.00 55.73 55.89 1jxm s ARG 723 Cb -0.37 -1.48 0.73 0.00 0.00 0.00 0.00 34.95 33.83 1jxm s ARG 723 CO 0.44 0.40 1.16 1.28 0.00 0.00 0.00 175.30 178.57