#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxl n GLU 476 N 0.00 0.74 0.25 1.64 2.13 -1.26 -2.06 120.64 122.08 1gxl n GLU 476 Ca 0.00 0.30 0.14 0.00 0.66 0.00 0.00 57.16 58.26 1gxl n GLU 476 Cb 0.00 -1.72 0.59 0.00 0.27 0.00 0.00 31.44 30.59 1gxl n GLU 476 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1gxl h LYS 477 N -0.07 0.00 0.00 5.31 3.64 -2.05 -2.93 116.57 120.47 1gxl h LYS 477 Ca -0.41 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1gxl h LYS 477 Cb 1.94 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.76 1gxl h LYS 477 CO 0.05 0.11 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.10 1gxl h ARG 478 N 0.00 0.00 0.00 1.90 2.43 -1.99 -1.21 114.38 115.51 1gxl h ARG 478 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gxl h ARG 478 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1gxl h ARG 478 CO 0.01 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 1gxl n LEU 479 N -4.72 0.00 -0.05 3.80 4.77 -0.88 -0.80 117.00 119.13 1gxl n LEU 479 Ca -0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 1gxl n LEU 479 Cb 0.11 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1gxl n LEU 479 CO 0.05 0.00 -0.82 -1.14 -1.33 0.00 0.00 177.39 174.15 1gxl n ARG 480 N -0.92 1.91 -0.04 3.23 0.63 -1.11 -4.07 116.66 116.31 1gxl n ARG 480 Ca 0.02 0.01 -0.12 0.00 -0.92 0.00 0.00 57.85 56.84 1gxl n ARG 480 Cb 0.01 -1.23 -0.07 0.00 0.45 0.00 0.00 32.46 31.61 1gxl n ARG 480 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1gxl h GLU 481 N 0.00 0.20 -0.26 -0.14 4.11 0.33 -2.56 114.58 116.25 1gxl h GLU 481 Ca -0.25 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.16 1gxl h GLU 481 Cb 1.52 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.70 1gxl h GLU 481 CO -0.00 0.50 -0.09 0.97 0.07 0.00 0.00 179.01 180.46 1gxl h ILE 482 N -0.12 0.68 -0.40 -1.06 2.10 -1.26 0.83 117.51 118.28 1gxl h ILE 482 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.97 1gxl h ILE 482 Cb 0.43 0.68 -0.02 0.00 -1.09 0.00 0.00 36.82 36.82 1gxl h ILE 482 CO 0.01 0.00 0.26 -0.61 -1.08 0.00 0.00 178.15 176.73 1gxl h GLN 483 N -0.04 0.52 -0.66 2.19 5.75 -1.69 0.88 115.11 122.06 1gxl h GLN 483 Ca 0.13 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1gxl h GLN 483 Cb 0.24 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1gxl h GLN 483 CO -0.29 0.35 0.14 0.35 -2.65 0.00 0.00 178.83 176.73 1gxl h PHE 484 N 0.54 1.14 -0.10 3.99 3.57 -0.46 -1.05 116.94 124.57 1gxl h PHE 484 Ca 0.14 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1gxl h PHE 484 Cb -0.05 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1gxl h PHE 484 CO 0.00 0.95 -0.36 1.49 -2.23 0.00 0.00 178.31 178.16 1gxl h GLU 485 N 1.01 0.42 -0.96 1.11 4.81 -0.63 -2.93 114.58 117.41 1gxl h GLU 485 Ca 0.21 -0.32 0.29 0.00 -0.13 0.00 0.00 59.36 59.41 1gxl h GLU 485 Cb 0.40 0.06 -0.15 0.00 0.63 0.00 0.00 28.75 29.69 1gxl h GLU 485 CO 0.01 0.95 0.44 -0.22 -0.73 0.00 0.00 179.01 179.45 1gxl h LYS 486 N -0.02 0.26 -0.02 1.92 3.11 -0.57 -1.38 116.57 119.88 1gxl h LYS 486 Ca -0.02 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.59 1gxl h LYS 486 Cb 0.99 -0.06 0.02 0.00 -1.00 0.00 0.00 32.23 32.18 1gxl h LYS 486 CO 0.08 0.17 -0.84 0.93 -2.81 0.00 0.00 179.45 176.98 1gxl h GLU 487 N 0.27 0.60 0.00 1.90 5.08 -1.07 -3.08 114.58 118.28 1gxl h GLU 487 Ca 0.67 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1gxl h GLU 487 Cb 1.48 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 1gxl h GLU 487 CO -0.64 1.23 -0.11 0.00 -1.00 0.00 0.00 179.01 178.49 1gxl h MET 488 N 0.22 0.00 -0.39 2.33 -0.00 -1.11 -2.27 114.93 113.71 1gxl h MET 488 Ca -0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.44 1gxl h MET 488 Cb 1.52 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.11 1gxl h MET 488 CO 0.17 0.11 -0.39 0.82 -0.00 0.00 0.00 176.91 177.62 1gxl h ILE 489 N 0.00 1.27 -0.39 -0.10 2.04 -1.37 -3.01 117.51 115.95 1gxl h ILE 489 Ca -0.00 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.21 1gxl h ILE 489 Cb 0.65 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1gxl h ILE 489 CO 0.01 0.52 -0.14 -0.33 0.00 0.00 0.00 178.15 178.22 1gxl h GLU 490 N 0.77 0.71 -0.09 2.37 5.08 -1.33 -2.26 114.58 119.83 1gxl h GLU 490 Ca 0.06 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1gxl h GLU 490 Cb 0.98 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1gxl h GLU 490 CO 0.10 0.82 -0.34 0.07 -1.00 0.00 0.00 179.01 178.65 1gxl h ARG 491 N 0.64 0.18 -0.47 2.33 0.11 -1.42 -0.97 114.38 114.78 1gxl h ARG 491 Ca 0.11 -0.07 -0.08 0.00 0.10 0.00 0.00 59.98 60.04 1gxl h ARG 491 Cb 0.60 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 1gxl h ARG 491 CO 0.04 0.50 -0.03 -0.44 0.10 0.00 0.00 179.97 180.14 1gxl h ASP 492 N 0.15 0.76 0.26 0.08 3.32 -1.32 0.93 116.42 120.60 1gxl h ASP 492 Ca 0.02 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1gxl h ASP 492 Cb 0.69 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1gxl h ASP 492 CO 0.05 0.85 -0.12 0.24 -1.72 0.00 0.00 179.24 178.53 1gxl h MET 493 N 0.73 -0.33 -0.58 3.56 2.86 -0.78 0.18 114.93 120.57 1gxl h MET 493 Ca 0.14 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 1gxl h MET 493 Cb 0.49 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1gxl h MET 493 CO 0.02 -0.22 0.39 0.07 1.06 0.00 0.00 176.91 178.23 1gxl h ARG 494 N -0.50 0.33 -0.02 1.72 0.11 -1.24 0.84 114.38 115.62 1gxl h ARG 494 Ca -0.04 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1gxl h ARG 494 Cb 0.27 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1gxl h ARG 494 CO 0.06 0.22 0.00 0.39 0.10 0.00 0.00 179.97 180.74 1gxl n GLU 495 N -4.46 1.31 -4.28 0.08 1.02 0.32 -4.90 120.64 109.72 1gxl n GLU 495 Ca 0.10 -0.45 -0.37 0.00 -0.02 0.00 0.00 57.16 56.41 1gxl n GLU 495 Cb 0.40 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1gxl n GLU 495 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gxl n TYR 496 N -0.43 -1.62 -1.85 -0.32 4.02 0.29 -4.82 117.16 112.42 1gxl n TYR 496 Ca 0.20 0.77 -0.42 0.00 -0.01 0.00 0.00 57.90 58.45 1gxl n TYR 496 Cb 0.21 -2.75 -0.03 0.00 -0.02 0.00 0.00 39.34 36.75 1gxl n TYR 496 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1gxl s ARG 497 N -6.99 4.18 0.00 -0.72 0.52 0.51 -2.44 118.95 114.00 1gxl s ARG 497 Ca 0.73 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.41 1gxl s ARG 497 Cb -0.40 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 31.97 1gxl s ARG 497 CO 0.95 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1gxl n GLY 498 N 3.32 2.12 1.98 -3.53 0.00 -1.26 -4.89 105.19 102.93 1gxl n GLY 498 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1gxl n GLY 498 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gxl n PHE 499 N -0.20 -3.65 -2.72 1.61 3.01 -1.02 -5.01 117.46 109.48 1gxl n PHE 499 Ca 0.00 -0.58 -0.37 0.00 1.01 0.00 0.00 57.45 57.51 1gxl n PHE 499 Cb 0.00 -0.61 -0.06 0.00 -0.01 0.00 0.00 39.48 38.81 1gxl n PHE 499 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1gxl s SER 500 N -3.30 7.26 0.21 4.37 1.04 -1.26 -4.83 113.70 117.19 1gxl s SER 500 Ca 0.40 1.91 -0.17 0.00 0.48 0.00 0.00 55.95 58.56 1gxl s SER 500 Cb -0.03 -2.59 0.21 0.00 0.10 0.00 0.00 66.02 63.72 1gxl s SER 500 CO 0.30 -0.13 1.46 0.54 0.98 0.00 0.00 173.24 176.39 1gxl n ARG 501 N 0.55 -0.23 0.08 4.02 1.74 -1.26 0.36 116.66 121.93 1gxl n ARG 501 Ca 0.02 1.45 -0.13 0.00 -0.77 0.00 0.00 57.85 58.42 1gxl n ARG 501 Cb 0.49 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.46 29.72 1gxl n ARG 501 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gxl h ALA 502 N 1.26 -0.63 -0.99 7.54 0.00 -1.86 0.46 119.26 125.05 1gxl h ALA 502 Ca 0.32 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1gxl h ALA 502 Cb 0.55 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1gxl h ALA 502 CO -0.93 -0.92 0.62 0.28 0.00 0.00 0.00 179.25 178.29 1gxl h VAL 503 N -0.57 0.67 0.23 0.00 2.07 -0.39 -1.19 116.25 117.07 1gxl h VAL 503 Ca 0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1gxl h VAL 503 Cb 0.63 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1gxl h VAL 503 CO -0.27 0.11 -0.11 0.03 0.02 0.00 0.00 177.57 177.36 1gxl h ARG 504 N 0.62 -0.30 -0.69 1.57 3.08 0.17 -2.61 114.38 116.23 1gxl h ARG 504 Ca 0.56 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.77 1gxl h ARG 504 Cb 1.06 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.08 1gxl h ARG 504 CO -0.32 0.02 0.12 0.00 -1.07 0.00 0.00 179.97 178.73 1gxl h ALA 505 N 0.00 0.83 -0.53 0.04 0.00 0.75 0.79 119.26 121.14 1gxl h ALA 505 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1gxl h ALA 505 Cb 0.46 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1gxl h ALA 505 CO 0.05 -0.35 0.35 0.28 0.00 0.00 0.00 179.25 179.58 1gxl h VAL 506 N 0.23 1.13 0.00 0.00 2.07 -1.18 -2.95 116.25 115.54 1gxl h VAL 506 Ca 0.38 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1gxl h VAL 506 Cb 0.63 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1gxl h VAL 506 CO -0.50 0.13 -0.40 -0.26 0.02 0.00 0.00 177.57 176.55 1gxl h PHE 507 N 0.71 0.00 -0.09 1.57 -1.00 -0.47 -2.92 116.94 114.73 1gxl h PHE 507 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1gxl h PHE 507 Cb -0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.49 1gxl h PHE 507 CO -0.00 0.04 0.00 -0.85 -1.61 0.00 0.00 178.31 175.89 1gxl n GLU 508 N -2.95 1.46 -0.10 1.51 0.28 -0.77 -2.42 120.64 117.64 1gxl n GLU 508 Ca 0.02 -0.68 0.04 0.00 -0.16 0.00 0.00 57.16 56.38 1gxl n GLU 508 Cb 0.55 -1.37 0.05 0.00 1.43 0.00 0.00 31.44 32.10 1gxl n GLU 508 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1gxl n GLU 509 N -0.11 1.50 0.16 3.44 -0.58 -1.19 -4.84 120.64 119.02 1gxl n GLU 509 Ca 0.16 -1.67 0.04 0.00 -0.42 0.00 0.00 57.16 55.26 1gxl n GLU 509 Cb 0.24 -1.04 0.20 0.00 -0.57 0.00 0.00 31.44 30.27 1gxl n GLU 509 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1gxl n LYS 510 N -0.69 0.06 -0.02 3.49 2.85 -1.02 -0.33 118.16 122.50 1gxl n LYS 510 Ca 0.06 0.52 -0.18 0.00 -1.05 0.00 0.00 58.31 57.66 1gxl n LYS 510 Cb 0.49 -2.18 -0.08 0.00 -0.65 0.00 0.00 35.03 32.62 1gxl n LYS 510 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1gxl h GLU 511 N 0.00 0.73 0.00 -1.58 9.09 -1.88 -3.02 114.58 117.91 1gxl h GLU 511 Ca 0.00 -0.62 0.00 0.00 0.05 0.00 0.00 59.36 58.79 1gxl h GLU 511 Cb 1.00 0.14 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1gxl h GLU 511 CO 0.00 1.23 0.07 0.00 0.05 0.00 0.00 179.01 180.35 1gxl h ARG 512 N 0.43 0.00 -2.18 1.06 3.08 -1.07 -3.26 114.38 112.44 1gxl h ARG 512 Ca -0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.40 1gxl h ARG 512 Cb 1.40 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.03 1gxl h ARG 512 CO 0.16 0.00 -0.68 1.19 -1.07 0.00 0.00 179.97 179.57 1gxl n PHE 513 N -2.56 3.18 0.02 3.04 3.01 -1.14 -4.92 117.46 118.09 1gxl n PHE 513 Ca -0.02 -4.05 0.23 0.00 1.01 0.00 0.00 57.45 54.62 1gxl n PHE 513 Cb 0.11 -0.52 0.69 0.00 -0.01 0.00 0.00 39.48 39.75 1gxl n PHE 513 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1gxl h PRO 514 N 3.88 0.00 0.00 -1.08 0.13 -1.73 0.52 132.00 133.72 1gxl h PRO 514 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1gxl h PRO 514 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1gxl h PRO 514 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 1gxl n GLY 515 N -1.54 -1.26 3.78 1.56 0.00 -1.26 -4.86 105.19 101.59 1gxl n GLY 515 Ca 0.11 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1gxl n GLY 515 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gxl s LEU 516 N -2.80 4.30 0.00 0.99 2.96 0.18 -0.82 118.68 123.48 1gxl s LEU 516 Ca 0.18 2.97 0.00 0.00 -0.22 0.00 0.00 54.13 57.05 1gxl s LEU 516 Cb 0.17 -3.72 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1gxl s LEU 516 CO 0.43 -0.87 0.00 0.52 -1.32 0.00 0.00 176.35 175.11 1gxl n VAL 517 N 0.39 0.00 -3.87 1.68 0.31 -0.57 -4.86 118.33 111.42 1gxl n VAL 517 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.27 1gxl n VAL 517 Cb 0.40 -0.07 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 1gxl n VAL 517 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1gxl s ASP 518 N 0.32 -0.21 0.44 4.52 -1.08 -1.21 -5.00 116.67 114.46 1gxl s ASP 518 Ca 0.00 -0.70 -0.22 0.00 -0.52 0.00 0.00 52.55 51.11 1gxl s ASP 518 Cb 0.00 0.72 -0.09 0.00 -1.46 0.00 0.00 42.92 42.10 1gxl s ASP 518 CO 0.00 -1.36 1.03 0.68 0.52 0.00 0.00 175.17 176.05 1gxl s VAL 519 N -3.78 3.82 0.25 1.11 -7.23 -1.26 -1.32 120.40 111.99 1gxl s VAL 519 Ca 0.13 1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 61.44 1gxl s VAL 519 Cb -0.05 -3.58 0.34 0.00 0.56 0.00 0.00 36.38 33.65 1gxl s VAL 519 CO 0.08 -0.13 1.58 0.58 -0.31 0.00 0.00 175.10 176.90 1gxl h VAL 520 N 1.89 0.14 0.00 1.32 2.07 -1.19 -1.09 116.25 119.39 1gxl h VAL 520 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1gxl h VAL 520 Cb 1.21 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1gxl h VAL 520 CO 0.61 0.00 0.08 -1.54 0.02 0.00 0.00 177.57 176.74 1gxl n SER 521 N -5.54 0.00 -0.53 0.57 3.41 -0.77 -0.70 113.62 110.07 1gxl n SER 521 Ca 0.12 0.40 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1gxl n SER 521 Cb 0.42 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1gxl n SER 521 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1gxl n ASN 522 N -1.40 2.03 -0.32 4.04 3.02 -0.41 -4.46 115.26 117.77 1gxl n ASN 522 Ca 0.00 -1.52 0.03 0.00 -0.03 0.00 0.00 54.58 53.07 1gxl n ASN 522 Cb 0.08 0.25 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1gxl n ASN 522 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gxl n LEU 523 N 0.40 2.02 -4.90 3.41 4.32 0.12 -4.99 117.00 117.38 1gxl n LEU 523 Ca 0.08 -1.47 -0.33 0.00 -0.02 0.00 0.00 56.01 54.28 1gxl n LEU 523 Cb 0.39 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1gxl n LEU 523 CO 0.16 0.47 -0.11 -0.63 -1.22 0.00 0.00 177.39 176.06 1gxl s ILE 524 N -0.76 5.37 -0.24 -0.08 1.01 -1.21 -4.73 121.20 120.55 1gxl s ILE 524 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.68 1gxl s ILE 524 Cb 0.06 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 39.00 1gxl s ILE 524 CO 0.09 0.28 -0.11 -0.70 0.00 0.00 0.00 174.94 174.50 1gxl s GLU 525 N -2.04 2.64 -0.01 2.79 2.56 -1.01 -5.00 118.70 118.63 1gxl s GLU 525 Ca 0.30 -1.09 0.01 0.00 0.00 0.00 0.00 54.97 54.18 1gxl s GLU 525 Cb -0.13 -2.85 0.01 0.00 2.00 0.00 0.00 34.13 33.15 1gxl s GLU 525 CO 0.20 -0.42 -0.01 0.54 -0.56 0.00 0.00 175.26 175.00 1gxl s VAL 526 N 1.23 0.13 0.39 3.70 0.11 -1.26 -1.48 120.40 123.22 1gxl s VAL 526 Ca -0.02 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 1gxl s VAL 526 Cb -0.17 -0.15 -0.11 0.00 -1.53 0.00 0.00 36.38 34.42 1gxl s VAL 526 CO -0.07 0.06 1.34 -0.67 -3.33 0.00 0.00 175.10 172.44 1gxl n ASP 527 N 3.32 2.97 0.00 3.54 -0.08 -1.26 -4.76 116.55 120.28 1gxl n ASP 527 Ca -0.16 1.17 0.06 0.00 -1.51 0.00 0.00 54.79 54.35 1gxl n ASP 527 Cb 0.57 -1.53 0.28 0.00 2.34 0.00 0.00 41.12 42.78 1gxl n ASP 527 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1gxl n GLU 528 N 0.29 0.03 0.33 -0.67 0.28 -1.26 -1.63 120.64 118.02 1gxl n GLU 528 Ca 0.05 0.26 -0.16 0.00 -0.16 0.00 0.00 57.16 57.15 1gxl n GLU 528 Cb 0.38 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 1gxl n GLU 528 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1gxl h LYS 529 N 0.00 -0.80 0.00 3.44 1.57 -2.03 -3.00 116.57 115.75 1gxl h LYS 529 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1gxl h LYS 529 Cb 0.20 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1gxl h LYS 529 CO 0.00 -0.49 0.00 0.66 -0.57 0.00 0.00 179.45 179.05 1gxl n TYR 530 N -5.40 0.76 -0.20 -1.35 4.02 -1.04 -4.24 117.16 109.71 1gxl n TYR 530 Ca -0.12 0.27 -0.05 0.00 -0.01 0.00 0.00 57.90 57.98 1gxl n TYR 530 Cb 0.36 -0.94 -0.05 0.00 -0.02 0.00 0.00 39.34 38.69 1gxl n TYR 530 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1gxl n SER 531 N -2.17 -0.51 -0.28 7.72 2.88 -0.64 0.41 113.62 121.02 1gxl n SER 531 Ca 0.03 1.01 -0.06 0.00 -1.33 0.00 0.00 58.87 58.52 1gxl n SER 531 Cb 0.29 -0.18 0.06 0.00 -0.75 0.00 0.00 64.21 63.63 1gxl n SER 531 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1gxl h LEU 532 N 0.00 1.09 0.01 2.46 6.46 -1.78 -2.31 115.31 121.24 1gxl h LEU 532 Ca 0.08 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1gxl h LEU 532 Cb 0.20 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1gxl h LEU 532 CO -0.46 0.98 -0.10 0.00 -0.62 0.00 0.00 178.44 178.24 1gxl h ALA 533 N 1.16 -0.59 -0.92 1.25 0.00 -0.30 -0.46 119.26 119.39 1gxl h ALA 533 Ca 0.26 -0.02 0.27 0.00 0.00 0.00 0.00 54.91 55.42 1gxl h ALA 533 Cb 0.24 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1gxl h ALA 533 CO -0.02 -0.62 0.74 0.28 0.00 0.00 0.00 179.25 179.63 1gxl h VAL 534 N -0.13 0.40 0.42 0.00 2.07 -1.13 -1.37 116.25 116.52 1gxl h VAL 534 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1gxl h VAL 534 Cb 0.13 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1gxl h VAL 534 CO -0.06 0.00 -0.20 -1.28 0.02 0.00 0.00 177.57 176.04 1gxl h SER 535 N 0.00 -0.48 0.79 0.57 0.87 -0.51 -2.36 113.55 112.43 1gxl h SER 535 Ca 0.44 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1gxl h SER 535 Cb 1.91 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1gxl h SER 535 CO -0.00 -0.29 -0.13 -0.37 -0.53 0.00 0.00 176.83 175.51 1gxl h VAL 536 N -0.64 0.38 -0.20 2.23 -1.51 -0.79 -2.33 116.25 113.38 1gxl h VAL 536 Ca -0.06 -0.78 -0.06 0.00 -1.23 0.00 0.00 66.70 64.58 1gxl h VAL 536 Cb 0.48 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1gxl h VAL 536 CO 0.10 0.13 -0.13 -0.07 -1.23 0.00 0.00 177.57 176.36 1gxl h LEU 537 N 0.00 0.31 0.00 4.19 3.38 -1.03 -3.32 115.31 118.85 1gxl h LEU 537 Ca -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1gxl h LEU 537 Cb 0.56 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1gxl h LEU 537 CO 0.02 0.48 -0.22 -0.07 0.09 0.00 0.00 178.44 178.74 1gxl h LEU 538 N 0.31 0.00 0.00 1.67 3.38 -0.92 -3.50 115.31 116.25 1gxl h LEU 538 Ca 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gxl h LEU 538 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1gxl h LEU 538 CO 0.02 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1gxl n GLY 539 N 1.69 0.40 0.28 0.83 0.00 -1.09 -3.29 105.19 104.01 1gxl n GLY 539 Ca -0.06 -0.92 0.19 0.00 0.00 0.00 0.00 46.02 45.23 1gxl n GLY 539 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gxl h GLY 540 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -1.63 103.07 101.47 1gxl h GLY 540 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gxl h GLY 540 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1gxl n THR 541 N -2.84 1.40 -0.23 4.70 -1.04 -1.21 -2.25 114.28 112.80 1gxl n THR 541 Ca -0.02 0.42 -0.02 0.00 -2.04 0.00 0.00 64.05 62.39 1gxl n THR 541 Cb 0.11 -1.32 0.18 0.00 -1.82 0.00 0.00 70.33 67.48 1gxl n THR 541 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gxl h ALA 542 N 2.20 1.31 -0.80 2.41 0.00 -1.53 -2.67 119.26 120.18 1gxl h ALA 542 Ca 0.00 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.31 1gxl h ALA 542 Cb 0.13 -0.30 -0.27 0.00 0.00 0.00 0.00 17.79 17.35 1gxl h ALA 542 CO 0.00 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.15 1gxl n GLN 543 N -4.36 2.46 -2.77 0.00 10.64 -0.95 -1.84 117.38 120.55 1gxl n GLN 543 Ca 0.08 -3.30 -0.38 0.00 -1.83 0.00 0.00 57.00 51.57 1gxl n GLN 543 Cb 0.10 -2.13 -0.06 0.00 -0.86 0.00 0.00 30.24 27.28 1gxl n GLN 543 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1gxl s ASN 544 N -2.10 7.43 -0.29 2.61 0.02 -1.01 -4.71 114.94 116.89 1gxl s ASN 544 Ca 0.55 1.87 -0.16 0.00 -1.02 0.00 0.00 52.86 54.11 1gxl s ASN 544 Cb 0.46 -2.59 -0.03 0.00 0.02 0.00 0.00 41.25 39.12 1gxl s ASN 544 CO 0.03 -0.00 0.42 -0.63 0.02 0.00 0.00 177.10 176.94 1gxl s ILE 545 N -1.49 5.13 0.03 0.60 1.09 0.18 -1.68 121.20 125.07 1gxl s ILE 545 Ca 0.47 0.52 -0.26 0.00 -1.10 0.00 0.00 60.65 60.29 1gxl s ILE 545 Cb -0.21 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.37 1gxl s ILE 545 CO 0.26 0.06 0.80 -0.69 -0.10 0.00 0.00 174.94 175.27 1gxl s VAL 546 N 2.15 4.78 0.13 2.92 1.01 -0.43 -0.88 120.40 130.08 1gxl s VAL 546 Ca 0.16 1.69 0.04 0.00 0.00 0.00 0.00 61.98 63.87 1gxl s VAL 546 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1gxl s VAL 546 CO 0.11 0.32 -0.09 0.68 0.00 0.00 0.00 175.10 176.11 1gxl s VAL 547 N 0.21 1.05 0.08 2.92 -7.23 -0.95 -1.51 120.40 114.98 1gxl s VAL 547 Ca 0.41 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 1gxl s VAL 547 Cb -0.20 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 1gxl s VAL 547 CO 0.23 -0.77 1.42 0.03 -0.31 0.00 0.00 175.10 175.70 1gxl h ARG 548 N 2.84 0.59 -4.15 4.82 2.47 -1.30 -0.03 114.38 119.62 1gxl h ARG 548 Ca -0.36 -0.29 -0.15 0.00 -1.26 0.00 0.00 59.98 57.92 1gxl h ARG 548 Cb 1.18 -0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.37 1gxl h ARG 548 CO 0.64 0.87 -0.47 0.54 0.56 0.00 0.00 179.97 182.11 1gxl s ASN 549 N -6.35 0.15 0.49 7.04 2.20 -1.26 -3.31 114.94 113.90 1gxl s ASN 549 Ca -0.13 -1.06 0.17 0.00 -0.94 0.00 0.00 52.86 50.90 1gxl s ASN 549 Cb 0.08 0.38 1.20 0.00 -2.00 0.00 0.00 41.25 40.91 1gxl s ASN 549 CO 0.80 -0.83 2.07 0.58 -2.94 0.00 0.00 177.10 176.77 1gxl h VAL 550 N 2.67 0.93 -0.41 3.54 2.07 -1.92 -2.35 116.25 120.78 1gxl h VAL 550 Ca -0.33 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1gxl h VAL 550 Cb 1.22 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1gxl h VAL 550 CO 0.52 0.03 0.11 0.44 0.02 0.00 0.00 177.57 178.69 1gxl h ASP 551 N 0.16 0.61 -0.80 0.57 5.19 -1.99 0.35 116.42 120.51 1gxl h ASP 551 Ca 0.14 -0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.37 1gxl h ASP 551 Cb 0.35 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 1gxl h ASP 551 CO -0.02 0.68 0.52 0.74 -3.12 0.00 0.00 179.24 178.04 1gxl h THR 552 N 0.52 1.08 0.36 0.35 2.02 -1.82 0.25 112.91 115.66 1gxl h THR 552 Ca 0.13 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1gxl h THR 552 Cb 0.30 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1gxl h THR 552 CO 0.00 0.17 -0.17 0.00 0.37 0.00 0.00 175.52 175.89 1gxl h ALA 553 N 1.55 -0.48 -0.95 6.16 0.00 -1.19 -1.34 119.26 123.01 1gxl h ALA 553 Ca 0.33 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1gxl h ALA 553 Cb 0.15 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1gxl h ALA 553 CO -0.11 -0.71 0.61 0.87 0.00 0.00 0.00 179.25 179.91 1gxl h LYS 554 N -0.59 0.93 0.02 0.00 1.57 0.11 0.01 116.57 118.62 1gxl h LYS 554 Ca -0.05 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1gxl h LYS 554 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1gxl h LYS 554 CO 0.08 0.62 -0.04 0.00 -0.57 0.00 0.00 179.45 179.53 1gxl h ALA 555 N 1.54 -0.06 -0.14 3.86 0.00 -0.25 -0.77 119.26 123.44 1gxl h ALA 555 Ca 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1gxl h ALA 555 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1gxl h ALA 555 CO -0.21 -0.54 0.06 0.82 0.00 0.00 0.00 179.25 179.37 1gxl h ILE 556 N -0.09 1.14 -0.88 0.00 2.04 -0.39 0.57 117.51 119.89 1gxl h ILE 556 Ca 0.01 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.56 1gxl h ILE 556 Cb 0.10 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1gxl h ILE 556 CO -0.03 0.13 0.57 0.58 0.00 0.00 0.00 178.15 179.39 1gxl h VAL 557 N 0.08 0.99 -0.14 1.67 2.07 -0.90 0.26 116.25 120.28 1gxl h VAL 557 Ca 0.05 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1gxl h VAL 557 Cb 0.14 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1gxl h VAL 557 CO -0.00 0.16 -0.42 -0.08 0.02 0.00 0.00 177.57 177.25 1gxl h GLU 558 N 0.90 0.54 -0.14 1.57 4.57 -0.73 -1.12 114.58 120.16 1gxl h GLU 558 Ca 0.40 -0.39 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1gxl h GLU 558 Cb 0.37 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 1gxl h GLU 558 CO -0.17 1.01 -0.10 0.35 -1.18 0.00 0.00 179.01 178.92 1gxl h PHE 559 N 0.16 -0.25 -0.27 0.92 3.57 -0.09 -1.82 116.94 119.16 1gxl h PHE 559 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1gxl h PHE 559 Cb 1.04 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1gxl h PHE 559 CO 0.10 -0.16 0.10 -0.07 -2.23 0.00 0.00 178.31 176.06 1gxl h LEU 560 N -0.11 0.38 -2.10 0.59 3.38 -0.99 -2.81 115.31 113.65 1gxl h LEU 560 Ca 0.09 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1gxl h LEU 560 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1gxl h LEU 560 CO -0.21 0.45 0.26 0.50 0.09 0.00 0.00 178.44 179.53 1gxl h LYS 561 N 0.28 0.00 0.21 1.13 3.64 -0.86 -0.94 116.57 120.04 1gxl h LYS 561 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1gxl h LYS 561 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1gxl h LYS 561 CO -0.01 0.00 -0.10 1.96 -2.27 0.00 0.00 179.45 179.03 1gxl h GLN 562 N 0.00 -0.27 -0.18 1.90 1.08 -1.08 -3.33 115.11 113.23 1gxl h GLN 562 Ca 0.14 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1gxl h GLN 562 Cb 0.65 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1gxl h GLN 562 CO -0.00 -0.18 0.00 0.09 -0.95 0.00 0.00 178.83 177.79 1gxl n ASN 563 N -4.50 0.18 -4.48 1.46 4.13 -1.14 -4.88 115.26 106.03 1gxl n ASN 563 Ca -0.03 -1.93 -0.40 0.00 1.68 0.00 0.00 54.58 53.89 1gxl n ASN 563 Cb 0.11 -0.09 -0.08 0.00 -1.54 0.00 0.00 39.78 38.18 1gxl n ASN 563 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1gxl n GLU 564 N -0.40 -0.89 0.00 3.52 1.02 -0.37 -4.79 120.64 118.73 1gxl n GLU 564 Ca 0.00 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 1gxl n GLU 564 Cb 0.05 -4.51 0.78 0.00 -0.02 0.00 0.00 31.44 27.74 1gxl n GLU 564 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxl n ALA 565 N -4.18 2.64 0.00 0.62 0.00 -1.15 -5.01 120.51 113.42 1gxl n ALA 565 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1gxl n ALA 565 Cb 0.50 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1gxl n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gxl n GLY 566 N 0.89 -1.22 3.75 0.00 0.00 -1.26 -3.15 105.19 104.19 1gxl n GLY 566 Ca 0.20 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 1gxl n GLY 566 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxl s ARG 567 N -0.85 2.64 0.22 1.61 0.52 -1.26 -4.75 118.95 117.09 1gxl s ARG 567 Ca 0.00 -1.23 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 1gxl s ARG 567 Cb 0.00 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1gxl s ARG 567 CO 0.00 0.37 0.41 0.14 0.02 0.00 0.00 175.30 176.24 1gxl s VAL 568 N -2.23 0.02 -0.16 3.52 -7.23 -1.26 -4.75 120.40 108.31 1gxl s VAL 568 Ca 0.33 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1gxl s VAL 568 Cb -0.07 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.78 1gxl s VAL 568 CO 0.23 -0.07 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.86 1gxl s THR 569 N -4.01 2.15 -0.14 5.32 2.01 -1.26 -5.06 115.64 114.66 1gxl s THR 569 Ca 0.22 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1gxl s THR 569 Cb 0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1gxl s THR 569 CO 0.06 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 173.94 1gxl s ILE 570 N 1.02 4.62 -0.56 1.82 1.01 -1.26 -0.64 121.20 127.21 1gxl s ILE 570 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1gxl s ILE 570 Cb -0.14 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.45 1gxl s ILE 570 CO -0.06 0.54 0.36 -0.76 0.00 0.00 0.00 174.94 175.02 1gxl s LEU 571 N -0.27 5.13 -0.05 2.97 1.43 -0.06 -4.92 118.68 122.90 1gxl s LEU 571 Ca 0.07 -2.69 -0.30 0.00 -1.03 0.00 0.00 54.13 50.19 1gxl s LEU 571 Cb -0.12 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1gxl s LEU 571 CO 0.02 -0.39 1.20 -2.16 0.23 0.00 0.00 176.35 175.25 1gxl s PRO 572 N 0.18 4.35 0.58 1.29 0.04 -1.26 -2.24 135.00 137.93 1gxl s PRO 572 Ca 0.15 1.67 0.27 0.00 0.04 0.00 0.00 61.00 63.13 1gxl s PRO 572 Cb -0.21 -3.55 1.62 0.00 0.04 0.00 0.00 34.50 32.39 1gxl s PRO 572 CO -0.03 -0.44 2.12 -0.07 0.04 0.00 0.00 177.00 178.61 1gxl h LEU 573 N 8.17 0.00 -1.88 -3.56 3.38 -1.06 -0.45 115.31 119.92 1gxl h LEU 573 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1gxl h LEU 573 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1gxl h LEU 573 CO 0.88 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.51 1gxl n ASP 574 N -3.94 2.77 0.00 -0.43 5.75 -1.21 -4.37 116.55 115.13 1gxl n ASP 574 Ca 0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1gxl n ASP 574 Cb 0.29 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1gxl n ASP 574 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1gxl n LEU 575 N 0.78 0.27 -4.76 -2.12 7.94 -0.27 -4.94 117.00 113.90 1gxl n LEU 575 Ca 0.16 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.67 1gxl n LEU 575 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 1gxl n LEU 575 CO 0.12 0.05 0.93 0.27 -1.11 0.00 0.00 177.39 177.65 1gxl s ILE 576 N -1.22 2.62 -0.15 1.96 -5.25 -0.67 -4.99 121.20 113.50 1gxl s ILE 576 Ca 0.00 0.51 -0.21 0.00 -0.99 0.00 0.00 60.65 59.96 1gxl s ILE 576 Cb 0.00 -3.28 -0.03 0.00 2.95 0.00 0.00 42.46 42.10 1gxl s ILE 576 CO 0.00 0.04 0.63 -0.62 -1.79 0.00 0.00 174.94 173.20 1gxl s ASP 577 N -0.95 6.76 0.00 4.36 2.15 -1.26 -4.94 116.67 122.79 1gxl s ASP 577 Ca 0.62 0.92 0.13 0.00 0.43 0.00 0.00 52.55 54.66 1gxl s ASP 577 Cb -0.36 -2.36 0.23 0.00 -0.30 0.00 0.00 42.92 40.13 1gxl s ASP 577 CO 0.45 -0.20 1.10 0.61 -0.17 0.00 0.00 175.17 176.96 1gxl n GLY 578 N 3.55 1.15 3.75 2.66 0.00 -1.26 -4.09 105.19 110.95 1gxl n GLY 578 Ca -0.02 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1gxl n GLY 578 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gxl s SER 579 N -1.08 5.28 -0.15 1.61 1.04 -1.26 -4.16 113.70 114.98 1gxl s SER 579 Ca 0.21 2.56 -0.28 0.00 0.48 0.00 0.00 55.95 58.92 1gxl s SER 579 Cb 0.13 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.71 1gxl s SER 579 CO 0.18 -1.54 0.74 0.72 0.98 0.00 0.00 173.24 174.32 1gxl s PHE 580 N -1.44 -0.67 0.08 5.02 -0.71 -1.26 -4.83 117.98 114.18 1gxl s PHE 580 Ca 0.74 1.37 0.10 0.00 -1.04 0.00 0.00 56.93 58.10 1gxl s PHE 580 Cb -0.35 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.79 1gxl s PHE 580 CO 0.40 -0.48 -0.25 0.54 -1.34 0.00 0.00 175.22 174.09 1gxl s ASN 581 N -0.54 3.05 0.05 1.98 2.20 -1.26 -5.00 114.94 115.41 1gxl s ASN 581 Ca -0.05 -0.65 -0.00 0.00 -0.94 0.00 0.00 52.86 51.21 1gxl s ASN 581 Cb -0.02 -0.23 -0.04 0.00 -2.00 0.00 0.00 41.25 38.96 1gxl s ASN 581 CO 0.05 0.19 0.19 -0.60 -2.94 0.00 0.00 177.10 173.99 1gxl s ARG 582 N -1.61 3.39 0.03 3.55 6.06 -1.26 -4.87 118.95 124.23 1gxl s ARG 582 Ca 0.11 -0.44 0.09 0.00 -2.50 0.00 0.00 55.73 52.99 1gxl s ARG 582 Cb -0.10 -3.02 -0.03 0.00 0.06 0.00 0.00 34.95 31.86 1gxl s ARG 582 CO 0.04 0.62 -0.26 0.42 -2.50 0.00 0.00 175.30 173.62 1gxl s ILE 583 N -1.46 2.13 0.22 4.11 1.09 -1.26 -5.11 121.20 120.92 1gxl s ILE 583 Ca 0.33 -1.30 -0.30 0.00 -1.10 0.00 0.00 60.65 58.28 1gxl s ILE 583 Cb -0.13 -1.80 -0.08 0.00 -1.06 0.00 0.00 42.46 39.39 1gxl s ILE 583 CO 0.25 0.43 1.04 -0.55 -0.10 0.00 0.00 174.94 176.02 1gxl s SER 584 N -1.06 7.39 0.00 3.58 0.15 -1.26 -3.38 113.70 119.12 1gxl s SER 584 Ca 0.11 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.85 1gxl s SER 584 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1gxl s SER 584 CO 0.01 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1gxl n GLY 585 N 1.64 2.43 0.33 9.45 0.00 -1.26 -4.89 105.19 112.89 1gxl n GLY 585 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1gxl n GLY 585 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gxl h LEU 586 N 0.00 0.82 -2.04 0.99 3.38 -1.99 0.24 115.31 116.71 1gxl h LEU 586 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gxl h LEU 586 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gxl h LEU 586 CO 0.00 0.49 0.00 1.05 0.09 0.00 0.00 178.44 180.07 1gxl h GLU 587 N 0.93 0.00 -0.65 1.13 9.09 -1.90 0.03 114.58 123.21 1gxl h GLU 587 Ca 0.41 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.74 1gxl h GLU 587 Cb 0.29 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.35 1gxl h GLU 587 CO -0.22 0.00 0.10 0.09 0.05 0.00 0.00 179.01 179.04 1gxl n ASN 588 N -2.66 5.46 -4.92 3.06 3.02 0.85 -4.80 115.26 115.27 1gxl n ASN 588 Ca -0.02 -3.04 -0.30 0.00 -0.03 0.00 0.00 54.58 51.19 1gxl n ASN 588 Cb 0.08 -0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 38.50 1gxl n ASN 588 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1gxl s GLU 589 N -2.86 3.53 -0.32 3.52 2.56 -0.01 -5.01 118.70 120.12 1gxl s GLU 589 Ca 0.55 -0.29 -0.38 0.00 0.00 0.00 0.00 54.97 54.86 1gxl s GLU 589 Cb 0.43 -2.90 -0.13 0.00 2.00 0.00 0.00 34.13 33.52 1gxl s GLU 589 CO 0.15 0.49 2.02 0.54 -0.56 0.00 0.00 175.26 177.90 1gxl n ARG 590 N -0.12 1.10 -1.00 4.30 5.12 -1.26 -1.58 116.66 123.21 1gxl n ARG 590 Ca -0.04 0.35 -0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1gxl n ARG 590 Cb 0.52 -2.28 -0.00 0.00 -1.16 0.00 0.00 32.46 29.54 1gxl n ARG 590 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gxl n GLY 591 N 5.69 0.48 3.40 -0.13 0.00 -1.26 -4.84 105.19 108.53 1gxl n GLY 591 Ca 0.36 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1gxl n GLY 591 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gxl n PHE 592 N -2.97 -1.21 -1.92 1.61 7.35 -0.62 -1.75 117.46 117.94 1gxl n PHE 592 Ca -0.00 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1gxl n PHE 592 Cb 0.01 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.13 1gxl n PHE 592 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1gxl n VAL 593 N -4.09 0.00 0.00 -2.13 0.31 -0.90 -4.68 118.33 106.84 1gxl n VAL 593 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1gxl n VAL 593 Cb 0.57 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1gxl n VAL 593 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gxl n GLY 594 N 0.00 2.33 3.77 2.92 0.00 -1.24 -4.85 105.19 108.12 1gxl n GLY 594 Ca 0.00 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1gxl n GLY 594 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gxl s TYR 595 N -2.59 3.90 0.27 1.61 1.51 -1.26 -1.84 117.35 118.95 1gxl s TYR 595 Ca 0.00 1.66 -0.04 0.00 -1.01 0.00 0.00 57.07 57.68 1gxl s TYR 595 Cb 0.00 -2.81 0.34 0.00 -0.11 0.00 0.00 41.96 39.38 1gxl s TYR 595 CO 0.00 0.48 1.94 0.00 -1.11 0.00 0.00 175.55 176.86 1gxl h ALA 596 N 4.46 1.33 -0.63 3.71 0.00 -1.84 -2.22 119.26 124.07 1gxl h ALA 596 Ca -0.46 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.53 1gxl h ALA 596 Cb 1.21 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1gxl h ALA 596 CO 0.67 0.62 0.44 -0.24 0.00 0.00 0.00 179.25 180.74 1gxl h VAL 597 N 1.26 0.76 0.00 0.00 3.04 -1.92 -0.76 116.25 118.62 1gxl h VAL 597 Ca 0.34 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1gxl h VAL 597 Cb -0.14 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1gxl h VAL 597 CO -0.07 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 176.99 1gxl n ASP 598 N -4.41 0.00 -0.51 3.17 8.00 -0.83 -2.29 116.55 119.68 1gxl n ASP 598 Ca 0.12 -0.48 0.08 0.00 0.71 0.00 0.00 54.79 55.22 1gxl n ASP 598 Cb 0.58 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.86 1gxl n ASP 598 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gxl n LEU 599 N -0.90 3.07 -3.91 0.64 4.32 -0.29 -5.03 117.00 114.90 1gxl n LEU 599 Ca 0.08 -2.77 -0.09 0.00 -0.02 0.00 0.00 56.01 53.21 1gxl n LEU 599 Cb 0.04 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.35 1gxl n LEU 599 CO 0.06 0.67 -0.17 -0.69 -1.22 0.00 0.00 177.39 176.04 1gxl s VAL 600 N -2.37 0.15 0.03 4.08 1.01 -0.97 -4.72 120.40 117.62 1gxl s VAL 600 Ca 0.32 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1gxl s VAL 600 Cb 0.25 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1gxl s VAL 600 CO 0.07 -0.70 -0.14 -0.54 0.00 0.00 0.00 175.10 173.79 1gxl s LYS 601 N -3.52 0.98 0.01 2.72 -0.14 -0.55 -5.00 119.74 114.25 1gxl s LYS 601 Ca 0.03 -0.69 0.03 0.00 -1.36 0.00 0.00 55.97 53.98 1gxl s LYS 601 Cb 0.04 -0.98 -0.01 0.00 -1.68 0.00 0.00 37.83 35.19 1gxl s LYS 601 CO -0.09 0.25 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.60 1gxl s PHE 602 N -0.71 0.79 -0.07 3.18 0.40 -1.26 -2.42 117.98 117.90 1gxl s PHE 602 Ca 0.03 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1gxl s PHE 602 Cb -0.07 -0.49 -0.10 0.00 0.51 0.00 0.00 43.02 42.87 1gxl s PHE 602 CO 0.01 -0.02 1.70 -0.35 0.70 0.00 0.00 175.22 177.27 1gxl n PRO 603 N 2.44 0.84 0.00 0.24 -0.04 -1.26 -4.81 135.00 132.40 1gxl n PRO 603 Ca -0.16 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1gxl n PRO 603 Cb 0.56 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1gxl n PRO 603 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gxl n SER 604 N 2.98 0.00 0.00 3.54 3.41 -1.26 -3.43 113.62 118.87 1gxl n SER 604 Ca 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.81 1gxl n SER 604 Cb 0.32 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1gxl n SER 604 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gxl n ASP 605 N 0.00 0.00 -0.04 4.04 5.75 -1.26 -0.43 116.55 124.60 1gxl n ASP 605 Ca 0.00 -0.43 0.01 0.00 -0.01 0.00 0.00 54.79 54.36 1gxl n ASP 605 Cb 0.00 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1gxl n ASP 605 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1gxl n LEU 606 N -0.71 1.21 -0.33 -2.12 4.77 -1.22 -4.86 117.00 113.75 1gxl n LEU 606 Ca 0.03 -1.36 0.17 0.00 -0.03 0.00 0.00 56.01 54.82 1gxl n LEU 606 Cb 0.01 -0.04 0.37 0.00 -2.33 0.00 0.00 43.42 41.43 1gxl n LEU 606 CO 0.02 0.33 1.10 -0.08 -1.33 0.00 0.00 177.39 177.43 1gxl h GLU 607 N 0.00 0.43 0.07 3.23 4.81 -1.05 -0.73 114.58 121.34 1gxl h GLU 607 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1gxl h GLU 607 Cb 0.79 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1gxl h GLU 607 CO 0.00 0.28 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.14 1gxl h VAL 608 N 0.44 1.03 -1.41 0.32 -1.51 -1.89 -1.50 116.25 111.74 1gxl h VAL 608 Ca 0.63 -0.32 0.43 0.00 -1.23 0.00 0.00 66.70 66.21 1gxl h VAL 608 Cb 1.25 1.24 -0.10 0.00 -2.13 0.00 0.00 31.29 31.56 1gxl h VAL 608 CO -0.53 0.08 0.96 0.25 -1.23 0.00 0.00 177.57 177.09 1gxl h LEU 609 N -0.23 0.17 0.03 4.19 5.85 -1.51 0.45 115.31 124.25 1gxl h LEU 609 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gxl h LEU 609 Cb 0.20 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1gxl h LEU 609 CO 0.02 -0.08 -0.01 1.23 -0.34 0.00 0.00 178.44 179.25 1gxl h GLY 610 N 0.09 -0.04 2.00 3.75 0.00 -0.98 -0.88 103.07 107.01 1gxl h GLY 610 Ca 0.78 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 48.07 1gxl h GLY 610 CO -0.24 -0.01 -0.22 -1.33 0.00 0.00 0.00 176.54 174.73 1gxl h GLY 611 N -0.52 0.00 0.63 4.60 0.00 0.16 0.79 103.07 108.73 1gxl h GLY 611 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1gxl h GLY 611 CO 0.01 0.00 -0.13 -2.75 0.00 0.00 0.00 176.54 173.66 1gxl h PHE 612 N 0.00 0.29 0.01 5.60 3.57 -0.55 -3.33 116.94 122.53 1gxl h PHE 612 Ca -0.00 -0.10 -0.22 0.00 3.53 0.00 0.00 57.97 61.17 1gxl h PHE 612 Cb 0.42 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1gxl h PHE 612 CO 0.00 0.72 -0.94 -0.07 -2.23 0.00 0.00 178.31 175.79 1gxl h LEU 613 N -0.22 0.47 0.00 0.59 3.38 -0.92 -3.48 115.31 115.12 1gxl h LEU 613 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1gxl h LEU 613 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1gxl h LEU 613 CO 0.03 1.18 0.00 0.49 0.09 0.00 0.00 178.44 180.24 1gxl n PHE 614 N -3.71 0.00 0.00 1.13 3.01 0.25 -4.88 117.46 113.26 1gxl n PHE 614 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1gxl n PHE 614 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 1gxl n PHE 614 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gxl n GLY 615 N 0.96 1.89 0.53 1.37 0.00 -1.26 -4.34 105.19 104.35 1gxl n GLY 615 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1gxl n GLY 615 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gxl n ASN 616 N 0.79 2.23 -4.83 1.61 4.05 -1.26 -4.41 115.26 113.43 1gxl n ASN 616 Ca 0.00 -1.61 -0.30 0.00 0.45 0.00 0.00 54.58 53.12 1gxl n ASN 616 Cb 0.00 -0.05 -0.05 0.00 1.23 0.00 0.00 39.78 40.90 1gxl n ASN 616 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1gxl s SER 617 N -1.01 5.80 0.02 1.20 0.01 -1.26 -1.95 113.70 116.51 1gxl s SER 617 Ca 0.17 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1gxl s SER 617 Cb 0.11 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 1gxl s SER 617 CO 0.16 0.15 -0.03 -0.69 0.41 0.00 0.00 173.24 173.24 1gxl s VAL 618 N -1.48 0.17 -0.10 3.43 1.01 -0.19 -2.65 120.40 120.59 1gxl s VAL 618 Ca 0.31 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1gxl s VAL 618 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1gxl s VAL 618 CO 0.24 -0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.37 1gxl s VAL 619 N -0.95 4.43 0.27 2.92 1.01 -0.77 -1.27 120.40 126.04 1gxl s VAL 619 Ca -0.09 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1gxl s VAL 619 Cb -0.07 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1gxl s VAL 619 CO -0.00 0.58 0.08 1.33 0.00 0.00 0.00 175.10 177.09 1gxl n VAL 620 N 2.38 0.00 -0.05 2.92 0.24 0.18 -2.11 118.33 121.90 1gxl n VAL 620 Ca -0.18 -1.49 -0.01 0.00 -2.04 0.00 0.00 64.34 60.61 1gxl n VAL 620 Cb 0.53 0.50 -0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1gxl n VAL 620 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1gxl h GLU 621 N 0.00 0.00 -5.99 7.34 5.08 -1.62 -2.66 114.58 116.73 1gxl h GLU 621 Ca -0.21 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.60 1gxl h GLU 621 Cb 0.77 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 1gxl h GLU 621 CO 0.34 0.00 -0.76 0.95 -1.00 0.00 0.00 179.01 178.53 1gxl s THR 622 N -1.61 2.11 0.60 1.13 -4.23 -1.26 -2.00 115.64 110.36 1gxl s THR 622 Ca -0.03 -2.22 0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1gxl s THR 622 Cb 0.00 -2.12 0.36 0.00 1.34 0.00 0.00 72.50 72.09 1gxl s THR 622 CO 0.04 -0.42 2.13 0.25 -0.54 0.00 0.00 174.62 176.08 1gxl h LEU 623 N 2.64 0.00 -0.16 4.79 5.85 -1.97 -0.22 115.31 126.24 1gxl h LEU 623 Ca -0.40 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.13 1gxl h LEU 623 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 1gxl h LEU 623 CO 0.58 0.00 -0.61 0.44 -0.34 0.00 0.00 178.44 178.50 1gxl h ASP 624 N 0.00 0.81 -0.50 1.25 5.19 -1.99 0.28 116.42 121.47 1gxl h ASP 624 Ca 0.06 -0.61 0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1gxl h ASP 624 Cb 0.39 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 1gxl h ASP 624 CO -0.00 1.29 0.28 0.44 -3.12 0.00 0.00 179.24 178.13 1gxl h ASP 625 N 0.39 0.44 0.33 6.45 3.45 -1.40 -0.57 116.42 125.50 1gxl h ASP 625 Ca -0.03 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.44 1gxl h ASP 625 Cb 1.24 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 1gxl h ASP 625 CO 0.13 0.31 -0.34 0.00 -1.57 0.00 0.00 179.24 177.76 1gxl h ALA 626 N 1.24 -0.72 -0.65 3.45 0.00 -1.07 -0.14 119.26 121.37 1gxl h ALA 626 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1gxl h ALA 626 Cb 0.06 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1gxl h ALA 626 CO -0.11 -0.94 0.36 0.82 0.00 0.00 0.00 179.25 179.37 1gxl h ILE 627 N -0.70 0.99 0.46 0.00 2.04 -0.63 0.61 117.51 120.28 1gxl h ILE 627 Ca -0.02 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1gxl h ILE 627 Cb 0.64 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1gxl h ILE 627 CO -0.07 0.12 -0.27 -0.09 0.00 0.00 0.00 178.15 177.84 1gxl h ARG 628 N 0.68 -0.67 -0.32 2.37 2.43 -0.84 -2.02 114.38 116.01 1gxl h ARG 628 Ca 0.28 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.57 1gxl h ARG 628 Cb 0.15 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1gxl h ARG 628 CO -0.16 -0.44 -0.14 1.98 -1.51 0.00 0.00 179.97 179.69 1gxl h MET 629 N -0.69 -0.09 -0.23 0.20 4.05 -0.65 -0.84 114.93 116.68 1gxl h MET 629 Ca -0.05 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 1gxl h MET 629 Cb 0.56 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1gxl h MET 629 CO 0.06 -0.06 0.20 -0.22 0.23 0.00 0.00 176.91 177.12 1gxl h LYS 630 N -0.09 0.00 0.08 0.39 1.63 -0.70 -1.72 116.57 116.16 1gxl h LYS 630 Ca 0.16 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.67 1gxl h LYS 630 Cb 0.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1gxl h LYS 630 CO -0.38 0.00 -1.47 0.87 -3.45 0.00 0.00 179.45 175.02 1gxl h LYS 631 N 0.00 0.18 0.61 1.90 1.57 -0.44 -2.33 116.57 118.05 1gxl h LYS 631 Ca 0.11 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1gxl h LYS 631 Cb 0.50 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.93 1gxl h LYS 631 CO -0.00 1.01 -0.29 -0.22 -0.57 0.00 0.00 179.45 179.38 1gxl h LYS 632 N 0.05 -0.79 0.00 3.15 3.64 -0.40 -3.30 116.57 118.92 1gxl h LYS 632 Ca -0.21 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1gxl h LYS 632 Cb 1.98 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1gxl h LYS 632 CO 0.14 -0.53 -0.14 1.88 -2.27 0.00 0.00 179.45 178.54 1gxl h TYR 633 N -1.18 0.00 -6.77 1.91 -1.99 -1.60 -3.47 116.97 103.86 1gxl h TYR 633 Ca -0.08 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.33 1gxl h TYR 633 Cb 0.63 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.31 1gxl h TYR 633 CO 0.01 0.00 -0.52 -2.13 -0.00 0.00 0.00 178.16 175.52 1gxl n ARG 634 N -3.02 -0.75 0.00 4.88 3.00 -0.88 -4.90 116.66 114.99 1gxl n ARG 634 Ca 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1gxl n ARG 634 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.77 1gxl n ARG 634 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1gxl n LEU 635 N -3.01 0.00 -2.34 6.15 4.77 -1.26 -5.04 117.00 116.26 1gxl n LEU 635 Ca -0.10 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.62 1gxl n LEU 635 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1gxl n LEU 635 CO 0.41 0.00 0.21 -0.46 -1.33 0.00 0.00 177.39 176.22 1gxl n ASN 636 N 0.00 4.84 -4.81 -1.43 2.04 -1.26 -4.68 115.26 109.96 1gxl n ASN 636 Ca 0.00 -3.73 -0.37 0.00 -0.44 0.00 0.00 54.58 50.04 1gxl n ASN 636 Cb 0.00 -0.43 -0.06 0.00 -2.53 0.00 0.00 39.78 36.75 1gxl n ASN 636 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1gxl s THR 637 N -5.23 5.24 0.34 5.53 -4.23 -1.26 -4.56 115.64 111.46 1gxl s THR 637 Ca 0.49 0.60 -0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1gxl s THR 637 Cb 0.40 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.53 1gxl s THR 637 CO -0.12 0.53 0.92 -0.13 -0.54 0.00 0.00 174.62 175.28 1gxl s ARG 638 N -0.56 4.47 -0.03 3.99 1.81 -0.82 -3.99 118.95 123.82 1gxl s ARG 638 Ca 0.19 1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 55.43 1gxl s ARG 638 Cb -0.14 -2.67 0.03 0.00 -0.45 0.00 0.00 34.95 31.72 1gxl s ARG 638 CO 0.08 0.22 0.04 0.42 -0.68 0.00 0.00 175.30 175.39 1gxl s ILE 639 N -1.74 -0.07 -0.04 1.52 1.01 -0.82 -1.02 121.20 120.05 1gxl s ILE 639 Ca 0.52 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.50 1gxl s ILE 639 Cb -0.16 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 1gxl s ILE 639 CO 0.21 0.11 -0.22 0.00 0.00 0.00 0.00 174.94 175.04 1gxl s ALA 640 N 1.34 2.33 0.50 9.38 0.00 -0.40 -0.29 121.76 134.62 1gxl s ALA 640 Ca -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1gxl s ALA 640 Cb -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1gxl s ALA 640 CO -0.03 0.52 0.70 0.95 0.00 0.00 0.00 175.76 177.89 1gxl s THR 641 N -0.58 2.87 -0.17 0.00 -4.23 -0.49 -0.65 115.64 112.40 1gxl s THR 641 Ca 0.08 -0.78 0.29 0.00 -1.18 0.00 0.00 61.69 60.11 1gxl s THR 641 Cb -0.11 -3.03 0.36 0.00 1.34 0.00 0.00 72.50 71.06 1gxl s THR 641 CO 0.00 -0.02 1.83 -0.07 -0.54 0.00 0.00 174.62 175.82 1gxl h LEU 642 N 0.29 0.00 0.00 4.79 3.38 -1.02 -2.59 115.31 120.16 1gxl h LEU 642 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1gxl h LEU 642 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1gxl h LEU 642 CO 0.50 0.00 -0.21 0.44 0.09 0.00 0.00 178.44 179.26 1gxl h ASP 643 N 0.00 0.00 0.00 -0.43 5.19 -1.90 -3.48 116.42 115.81 1gxl h ASP 643 Ca 0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1gxl h ASP 643 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1gxl h ASP 643 CO 0.00 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 1gxl n GLY 644 N 1.30 0.98 3.76 2.75 0.00 -0.97 -5.00 105.19 108.00 1gxl n GLY 644 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1gxl n GLY 644 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gxl s GLU 645 N -0.27 1.81 -0.05 1.61 8.01 -1.26 -4.80 118.70 123.75 1gxl s GLU 645 Ca 0.00 0.87 -0.05 0.00 0.01 0.00 0.00 54.97 55.79 1gxl s GLU 645 Cb 0.00 -1.87 0.01 0.00 -4.31 0.00 0.00 34.13 27.96 1gxl s GLU 645 CO 0.00 -1.87 0.14 -0.51 0.01 0.00 0.00 175.26 173.03 1gxl s LEU 646 N -6.00 1.45 -0.22 1.80 1.02 -0.17 -1.39 118.68 115.18 1gxl s LEU 646 Ca 0.62 0.25 0.02 0.00 0.02 0.00 0.00 54.13 55.03 1gxl s LEU 646 Cb -0.17 0.51 0.04 0.00 0.02 0.00 0.00 46.19 46.60 1gxl s LEU 646 CO 0.56 -0.08 -0.12 -0.63 0.02 0.00 0.00 176.35 176.10 1gxl s ILE 647 N -0.05 1.90 0.96 -0.59 1.09 0.61 -0.79 121.20 124.33 1gxl s ILE 647 Ca -0.01 -1.21 -0.11 0.00 -1.10 0.00 0.00 60.65 58.22 1gxl s ILE 647 Cb -0.02 -1.94 0.17 0.00 -1.06 0.00 0.00 42.46 39.62 1gxl s ILE 647 CO 0.00 0.18 1.11 -0.94 -0.10 0.00 0.00 174.94 175.19 1gxl s SER 648 N 1.28 2.66 0.42 3.58 1.04 0.30 -1.95 113.70 121.03 1gxl s SER 648 Ca -0.03 1.92 0.17 0.00 0.48 0.00 0.00 55.95 58.49 1gxl s SER 648 Cb -0.17 -2.46 1.07 0.00 0.10 0.00 0.00 66.02 64.56 1gxl s SER 648 CO -0.08 -3.22 1.86 1.23 0.98 0.00 0.00 173.24 174.01 1gxl h GLY 649 N -1.95 0.86 0.72 7.32 0.00 -1.80 -1.25 103.07 106.97 1gxl h GLY 649 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1gxl h GLY 649 CO 0.46 0.01 -0.34 0.54 0.00 0.00 0.00 176.54 177.21 1gxl n ARG 650 N -4.51 0.41 0.00 4.80 1.74 -1.26 -4.13 116.66 113.71 1gxl n ARG 650 Ca 0.19 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1gxl n ARG 650 Cb 0.67 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1gxl n ARG 650 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gxl n GLY 651 N 1.41 1.07 3.73 -0.13 0.00 -0.47 -5.11 105.19 105.70 1gxl n GLY 651 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1gxl n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxl s ALA 652 N -1.88 3.46 -0.28 4.61 0.00 -1.26 -4.73 121.76 121.69 1gxl s ALA 652 Ca 0.00 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1gxl s ALA 652 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1gxl s ALA 652 CO 0.00 -0.43 0.10 0.42 0.00 0.00 0.00 175.76 175.85 1gxl s ILE 653 N 0.17 4.38 -0.11 0.00 1.01 -1.26 -0.54 121.20 124.86 1gxl s ILE 653 Ca 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1gxl s ILE 653 Cb -0.33 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1gxl s ILE 653 CO 0.36 0.21 -0.03 -0.89 0.00 0.00 0.00 174.94 174.58 1gxl s THR 654 N 1.60 3.98 0.14 2.92 2.01 0.03 -4.97 115.64 121.34 1gxl s THR 654 Ca 0.05 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1gxl s THR 654 Cb -0.16 -2.69 0.04 0.00 0.01 0.00 0.00 72.50 69.70 1gxl s THR 654 CO 0.04 0.56 0.48 0.61 -0.69 0.00 0.00 174.62 175.62 1gxl n GLY 655 N 2.71 1.16 0.00 4.40 0.00 -1.26 -1.00 105.19 111.20 1gxl n GLY 655 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1gxl n GLY 655 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gxl n GLY 656 N -0.33 2.72 3.78 -0.02 0.00 -1.26 -5.07 105.19 105.02 1gxl n GLY 656 Ca -0.02 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 1gxl n GLY 656 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gxl s ARG 657 N -3.54 2.83 -0.30 1.61 3.52 -1.26 -4.98 118.95 116.84 1gxl s ARG 657 Ca 0.00 -0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1gxl s ARG 657 Cb 0.00 -2.59 0.19 0.00 -1.56 0.00 0.00 34.95 30.99 1gxl s ARG 657 CO 0.00 0.47 0.75 -2.00 -0.81 0.00 0.00 175.30 173.71 1gxl s GLU 658 N -3.20 0.42 -0.05 5.12 2.12 -1.26 -5.01 118.70 116.84 1gxl s GLU 658 Ca 0.31 0.59 -0.03 0.00 0.36 0.00 0.00 54.97 56.20 1gxl s GLU 658 Cb -0.10 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1gxl s GLU 658 CO 0.23 -0.62 0.06 -1.91 -0.54 0.00 0.00 175.26 172.48 1gxl n GLU 659 N 5.38 -0.17 0.00 4.30 2.13 -1.26 -4.72 120.64 126.30 1gxl n GLU 659 Ca 0.02 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1gxl n GLU 659 Cb 0.54 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 32.05 1gxl n GLU 659 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1gxl n ARG 660 N -0.21 0.00 0.00 5.31 1.74 -1.26 -4.56 116.66 117.68 1gxl n ARG 660 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1gxl n ARG 660 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1gxl n ARG 660 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gxl n SER 661 N 0.00 0.00 -3.65 0.55 2.88 -1.26 -4.88 113.62 107.25 1gxl n SER 661 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1gxl n SER 661 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1gxl n SER 661 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1gxl n SER 662 N 8.93 -5.49 -4.55 -3.46 2.88 -1.26 -4.84 113.62 105.83 1gxl n SER 662 Ca 0.00 -0.89 -0.42 0.00 -1.33 0.00 0.00 58.87 56.23 1gxl n SER 662 Cb 0.00 -3.09 -0.07 0.00 -0.75 0.00 0.00 64.21 60.30 1gxl n SER 662 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1gxl s ASN 663 N -3.28 6.38 0.61 -3.46 3.84 -1.26 -4.90 114.94 112.86 1gxl s ASN 663 Ca 0.29 -0.04 0.29 0.00 0.21 0.00 0.00 52.86 53.61 1gxl s ASN 663 Cb -0.12 -2.32 1.49 0.00 -0.55 0.00 0.00 41.25 39.75 1gxl s ASN 663 CO 0.86 -0.64 1.89 0.58 -2.79 0.00 0.00 177.10 177.00 1gxl h VAL 664 N 5.73 0.28 -0.00 -5.21 2.07 -1.89 -2.75 116.25 114.47 1gxl h VAL 664 Ca -0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1gxl h VAL 664 Cb 1.11 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1gxl h VAL 664 CO 0.85 0.00 -0.35 0.49 0.02 0.00 0.00 177.57 178.57 1gxl n PHE 665 N -3.51 0.00 -0.49 1.57 3.72 -1.26 -4.72 117.46 112.77 1gxl n PHE 665 Ca 0.06 0.00 0.41 0.00 -0.05 0.00 0.00 57.45 57.87 1gxl n PHE 665 Cb 0.61 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.84 1gxl n PHE 665 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1gxl h GLU 666 N 0.47 0.02 0.03 -1.08 4.11 -1.90 0.04 114.58 116.27 1gxl h GLU 666 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1gxl h GLU 666 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1gxl h GLU 666 CO 0.00 0.01 -0.01 -0.09 0.07 0.00 0.00 179.01 178.99 1gxl h ARG 667 N 0.02 -0.04 -0.67 1.06 9.65 -1.84 -2.42 114.38 120.14 1gxl h ARG 667 Ca 0.88 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.73 1gxl h ARG 667 Cb 2.89 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 31.45 1gxl h ARG 667 CO -0.40 0.63 0.29 0.00 2.80 0.00 0.00 179.97 183.29 1gxl h ARG 668 N -0.77 0.97 -0.17 0.20 3.08 -1.46 -1.89 114.38 114.33 1gxl h ARG 668 Ca -0.00 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1gxl h ARG 668 Cb 0.68 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1gxl h ARG 668 CO 0.01 0.77 -0.11 0.82 -1.07 0.00 0.00 179.97 180.38 1gxl h ILE 669 N 0.96 1.18 0.18 2.04 2.04 -1.11 -2.33 117.51 120.47 1gxl h ILE 669 Ca 0.23 -0.78 -0.31 0.00 1.00 0.00 0.00 64.86 65.00 1gxl h ILE 669 Cb 0.14 1.18 0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1gxl h ILE 669 CO -0.03 0.25 -1.47 0.50 0.00 0.00 0.00 178.15 177.40 1gxl h LYS 670 N 0.26 0.39 -0.37 2.37 3.64 -1.10 -2.37 116.57 119.39 1gxl h LYS 670 Ca 0.05 -0.66 0.11 0.00 -1.27 0.00 0.00 60.65 58.88 1gxl h LYS 670 Cb 0.37 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1gxl h LYS 670 CO 0.02 1.32 0.31 1.25 -2.27 0.00 0.00 179.45 180.08 1gxl h LEU 671 N -0.05 0.00 0.00 5.20 6.46 -1.26 0.94 115.31 126.60 1gxl h LEU 671 Ca -0.29 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.31 1gxl h LEU 671 Cb 1.98 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.88 1gxl h LEU 671 CO 0.17 0.00 -1.03 0.07 -0.62 0.00 0.00 178.44 177.03 1gxl h LYS 672 N 0.00 0.00 -0.13 1.25 2.10 -1.43 -3.21 116.57 115.15 1gxl h LYS 672 Ca 0.17 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.70 1gxl h LYS 672 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1gxl h LYS 672 CO -0.00 0.52 -0.40 0.45 -2.00 0.00 0.00 179.45 178.01 1gxl h HIS 673 N 0.00 0.65 -0.11 0.07 3.86 0.11 -2.83 115.15 116.90 1gxl h HIS 673 Ca -0.09 -0.26 0.03 0.00 -1.16 0.00 0.00 60.37 58.89 1gxl h HIS 673 Cb 1.59 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.95 1gxl h HIS 673 CO 0.00 1.01 0.11 -0.07 0.86 0.00 0.00 177.93 179.84 1gxl h LEU 674 N 0.10 0.00 0.50 2.43 3.38 0.03 -2.05 115.31 119.70 1gxl h LEU 674 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1gxl h LEU 674 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1gxl h LEU 674 CO 0.09 0.00 -0.24 -0.08 0.09 0.00 0.00 178.44 178.30 1gxl h GLU 675 N 0.00 -0.64 0.00 1.13 4.57 -1.51 -2.89 114.58 115.24 1gxl h GLU 675 Ca 0.05 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1gxl h GLU 675 Cb 0.26 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1gxl h GLU 675 CO -0.00 -0.43 0.19 0.94 -1.18 0.00 0.00 179.01 178.53 1gxl n GLN 676 N -4.26 0.06 0.13 1.92 7.27 -0.82 0.38 117.38 122.06 1gxl n GLN 676 Ca -0.08 0.50 0.08 0.00 0.07 0.00 0.00 57.00 57.57 1gxl n GLN 676 Cb 0.26 -1.90 0.04 0.00 2.41 0.00 0.00 30.24 31.05 1gxl n GLN 676 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1gxl h GLU 677 N 0.00 0.00 0.01 3.69 4.81 -1.22 -3.33 114.58 118.55 1gxl h GLU 677 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1gxl h GLU 677 Cb 0.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1gxl h GLU 677 CO 0.00 0.15 -0.29 0.52 -0.73 0.00 0.00 179.01 178.66 1gxl h MET 678 N 0.00 0.17 -0.00 1.92 2.86 0.04 -3.49 114.93 116.43 1gxl h MET 678 Ca -0.03 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1gxl h MET 678 Cb 1.18 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1gxl h MET 678 CO 0.02 0.97 0.00 -0.85 1.06 0.00 0.00 176.91 178.11