#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxr s TYR 435 N 0.00 3.46 0.09 1.24 1.51 -1.26 -5.11 117.35 117.28 1gxr s TYR 435 Ca 0.00 0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 1gxr s TYR 435 Cb 0.00 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1gxr s TYR 435 CO 0.00 0.60 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.87 1gxr s PHE 436 N -1.40 1.06 0.04 2.71 0.40 -1.26 -5.16 117.98 114.37 1gxr s PHE 436 Ca 0.30 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1gxr s PHE 436 Cb -0.13 -0.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1gxr s PHE 436 CO 0.23 0.01 -0.08 -0.65 0.70 0.00 0.00 175.22 175.42 1gxr s GLN 437 N -2.50 0.54 0.64 0.44 -0.21 -1.26 -5.07 119.66 112.24 1gxr s GLN 437 Ca 0.03 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.56 1gxr s GLN 437 Cb -0.05 -0.35 -0.01 0.00 1.00 0.00 0.00 33.01 33.60 1gxr s GLN 437 CO 0.01 0.07 1.07 0.20 -2.12 0.00 0.00 175.29 174.51 1gxr s GLY 438 N -1.44 1.97 -0.14 3.09 0.00 -1.26 -5.05 107.32 104.49 1gxr s GLY 438 Ca -0.08 0.32 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 1gxr s GLY 438 CO 0.00 0.64 0.25 0.00 0.00 0.00 0.00 173.10 173.99 1gxr s ALA 439 N -2.63 -0.47 0.26 3.20 0.00 -1.26 -5.14 121.76 115.72 1gxr s ALA 439 Ca 0.62 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 1gxr s ALA 439 Cb -0.16 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 1gxr s ALA 439 CO 0.44 -0.76 1.18 1.41 0.00 0.00 0.00 175.76 178.03 1gxr s MET 440 N 2.39 4.53 0.30 0.00 1.75 -1.26 -5.04 119.30 121.98 1gxr s MET 440 Ca 0.03 1.93 0.02 0.00 -1.25 0.00 0.00 55.69 56.41 1gxr s MET 440 Cb -0.13 -3.17 -0.01 0.00 2.84 0.00 0.00 34.83 34.36 1gxr s MET 440 CO -0.09 0.02 0.06 0.41 -0.65 0.00 0.00 175.02 174.77 1gxr n GLY 441 N 1.41 3.61 3.28 2.11 0.00 -1.26 -5.17 105.19 109.17 1gxr n GLY 441 Ca 0.01 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 1gxr n GLY 441 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gxr s SER 442 N -2.78 -0.28 0.09 1.61 0.15 -1.26 -5.18 113.70 106.05 1gxr s SER 442 Ca 0.09 0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.90 1gxr s SER 442 Cb 0.00 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1gxr s SER 442 CO 0.06 -0.44 0.15 -0.54 1.20 0.00 0.00 173.24 173.67 1gxr s LYS 443 N -1.17 0.82 0.64 5.44 1.02 -1.26 -5.14 119.74 120.09 1gxr s LYS 443 Ca -0.12 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 54.66 1gxr s LYS 443 Cb -0.04 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.57 1gxr s LYS 443 CO 0.05 -0.25 1.23 -2.14 -0.92 0.00 0.00 175.35 173.32 1gxr s PRO 444 N -3.88 2.65 -0.44 -1.68 0.02 -1.26 -4.78 135.00 125.63 1gxr s PRO 444 Ca 0.07 1.86 -0.46 0.00 0.02 0.00 0.00 61.00 62.49 1gxr s PRO 444 Cb 0.05 -1.88 -0.20 0.00 0.02 0.00 0.00 34.50 32.49 1gxr s PRO 444 CO -0.10 -1.46 1.52 0.00 -0.33 0.00 0.00 177.00 176.63 1gxr n ALA 445 N -1.98 -1.58 0.00 -1.55 0.00 -1.26 -4.81 120.51 109.34 1gxr n ALA 445 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1gxr n ALA 445 Cb 0.49 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1gxr n ALA 445 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1gxr n TYR 446 N 3.68 0.00 -5.02 0.00 0.18 -1.26 -5.00 117.16 109.74 1gxr n TYR 446 Ca 0.29 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.75 1gxr n TYR 446 Cb -0.04 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.76 1gxr n TYR 446 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gxr s SER 447 N -0.59 3.52 0.05 9.48 0.15 -1.26 0.39 113.70 125.44 1gxr s SER 447 Ca 0.00 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1gxr s SER 447 Cb 0.00 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1gxr s SER 447 CO 0.00 0.16 -0.10 -0.36 1.20 0.00 0.00 173.24 174.14 1gxr s PHE 448 N 0.34 0.86 -0.23 3.44 0.40 0.14 -2.93 117.98 120.00 1gxr s PHE 448 Ca -0.15 -0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 55.62 1gxr s PHE 448 Cb -0.17 -0.50 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 1gxr s PHE 448 CO 0.07 -0.04 0.01 -1.58 0.70 0.00 0.00 175.22 174.39 1gxr s HIS 449 N -1.44 3.02 0.09 0.36 2.46 -0.60 -0.53 115.29 118.65 1gxr s HIS 449 Ca -0.06 -0.63 0.08 0.00 0.47 0.00 0.00 55.06 54.92 1gxr s HIS 449 Cb -0.09 -2.16 -0.03 0.00 -0.13 0.00 0.00 32.58 30.17 1gxr s HIS 449 CO 0.01 -0.41 -0.22 0.08 -2.47 0.00 0.00 174.74 171.73 1gxr s VAL 450 N 1.45 1.80 -0.60 0.89 1.01 0.10 -2.88 120.40 122.17 1gxr s VAL 450 Ca 0.05 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 1gxr s VAL 450 Cb -0.15 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.79 1gxr s VAL 450 CO 0.01 0.06 0.40 -0.04 0.00 0.00 0.00 175.10 175.52 1gxr s MET 456 N -1.69 2.44 -0.14 2.72 1.00 -1.26 -2.44 119.30 119.94 1gxr s MET 456 Ca 0.08 -2.51 0.02 0.00 0.00 0.00 0.00 55.69 53.28 1gxr s MET 456 Cb -0.10 -3.66 0.01 0.00 0.00 0.00 0.00 34.83 31.08 1gxr s MET 456 CO 0.04 -1.16 -0.21 -0.65 0.00 0.00 0.00 175.02 173.04 1gxr s GLN 457 N -0.04 3.06 0.27 2.03 1.11 -1.14 -5.08 119.66 119.87 1gxr s GLN 457 Ca 0.16 -0.84 -0.27 0.00 0.01 0.00 0.00 55.36 54.42 1gxr s GLN 457 Cb -0.21 -2.45 -0.15 0.00 -1.01 0.00 0.00 33.01 29.19 1gxr s GLN 457 CO -0.03 0.02 0.70 -2.30 0.01 0.00 0.00 175.29 173.70 1gxr n PRO 458 N 3.98 0.60 -3.07 2.91 -0.02 -1.26 -1.56 135.00 136.58 1gxr n PRO 458 Ca -0.20 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.09 1gxr n PRO 458 Cb 0.52 -1.39 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 1gxr n PRO 458 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gxr s VAL 459 N -1.10 4.99 -0.99 -1.45 1.01 -1.15 -4.76 120.40 116.96 1gxr s VAL 459 Ca 0.62 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 63.64 1gxr s VAL 459 Cb -0.79 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 31.62 1gxr s VAL 459 CO 0.58 0.10 1.65 -2.84 0.00 0.00 0.00 175.10 174.59 1gxr s PRO 460 N 1.94 3.20 -0.11 2.72 0.02 -1.26 -4.95 135.00 136.57 1gxr s PRO 460 Ca 0.31 -0.85 -0.38 0.00 0.02 0.00 0.00 61.00 60.10 1gxr s PRO 460 Cb -0.16 -5.26 -0.15 0.00 0.02 0.00 0.00 34.50 28.95 1gxr s PRO 460 CO 0.11 -2.67 1.62 1.19 -0.33 0.00 0.00 177.00 176.92 1gxr n PHE 461 N 10.83 1.93 -1.09 6.54 0.99 -1.26 -4.96 117.46 130.44 1gxr n PHE 461 Ca 0.36 0.48 -0.29 0.00 -0.00 0.00 0.00 57.45 58.00 1gxr n PHE 461 Cb 0.49 -2.45 0.17 0.00 -1.00 0.00 0.00 39.48 36.69 1gxr n PHE 461 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1gxr s PRO 462 N 2.47 0.61 0.54 -1.08 0.02 -1.26 -4.91 135.00 131.40 1gxr s PRO 462 Ca 0.92 0.71 0.21 0.00 0.02 0.00 0.00 61.00 62.86 1gxr s PRO 462 Cb -0.96 -1.74 1.42 0.00 0.02 0.00 0.00 34.50 33.23 1gxr s PRO 462 CO 0.56 -2.66 2.14 -1.35 -0.33 0.00 0.00 177.00 175.36 1gxr h PRO 463 N -1.85 0.00 -0.68 5.54 0.11 -1.97 -2.25 132.00 130.91 1gxr h PRO 463 Ca -0.53 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.30 1gxr h PRO 463 Cb 1.31 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.25 1gxr h PRO 463 CO 0.55 0.00 0.28 -0.40 -0.21 0.00 0.00 178.00 178.22 1gxr n ASP 464 N -4.33 3.84 0.05 -2.05 5.75 -1.26 -4.54 116.55 114.00 1gxr n ASP 464 Ca -0.00 -3.46 -0.11 0.00 -0.01 0.00 0.00 54.79 51.21 1gxr n ASP 464 Cb 0.20 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1gxr n ASP 464 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gxr h ALA 465 N 1.67 0.52 0.00 2.12 0.00 -1.75 -3.36 119.26 118.46 1gxr h ALA 465 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gxr h ALA 465 Cb 2.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1gxr h ALA 465 CO 0.71 0.77 0.00 1.28 0.00 0.00 0.00 179.25 182.01 1gxr n LEU 466 N -3.83 0.64 -3.91 0.00 4.77 -1.26 -4.74 117.00 108.67 1gxr n LEU 466 Ca -0.05 -0.81 -0.11 0.00 -0.03 0.00 0.00 56.01 55.02 1gxr n LEU 466 Cb 0.74 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.70 1gxr n LEU 466 CO 0.49 0.16 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.73 1gxr s ILE 467 N -0.33 0.05 0.00 -0.08 -1.09 -1.26 -4.96 121.20 113.53 1gxr s ILE 467 Ca 0.00 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1gxr s ILE 467 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 42.46 40.76 1gxr s ILE 467 CO 0.00 -0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.11 1gxr n GLY 468 N 2.45 3.36 3.74 6.18 0.00 -1.26 -4.41 105.19 115.25 1gxr n GLY 468 Ca -0.17 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1gxr n GLY 468 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gxr s PRO 469 N -2.31 4.12 0.00 1.61 0.02 -1.26 -1.30 135.00 135.89 1gxr s PRO 469 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1gxr s PRO 469 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 1gxr s PRO 469 CO 0.00 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 1gxr n GLY 470 N 2.98 1.02 3.62 0.52 0.00 -1.26 -5.01 105.19 107.05 1gxr n GLY 470 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1gxr n GLY 470 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gxr s ILE 471 N -3.53 5.32 0.64 -0.61 -1.09 -0.42 -4.87 121.20 116.64 1gxr s ILE 471 Ca 0.00 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.41 1gxr s ILE 471 Cb 0.00 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1gxr s ILE 471 CO 0.00 0.29 1.25 -2.65 -1.23 0.00 0.00 174.94 172.60 1gxr n PRO 472 N 4.76 1.09 -0.04 2.79 -0.02 -1.26 -4.69 135.00 137.63 1gxr n PRO 472 Ca -0.14 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.74 1gxr n PRO 472 Cb 0.52 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1gxr n PRO 472 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gxr n ARG 473 N -1.79 2.17 -3.54 -0.52 1.74 0.14 -4.94 116.66 109.92 1gxr n ARG 473 Ca 0.16 -0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 57.06 1gxr n ARG 473 Cb 0.48 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.63 1gxr n ARG 473 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1gxr s HIS 474 N -2.29 -0.59 -0.25 -1.55 5.04 -1.09 -4.81 115.29 109.76 1gxr s HIS 474 Ca -0.04 1.04 0.01 0.00 -1.54 0.00 0.00 55.06 54.53 1gxr s HIS 474 Cb 0.03 0.41 0.05 0.00 0.04 0.00 0.00 32.58 33.11 1gxr s HIS 474 CO 0.37 -0.53 -0.11 0.00 -2.34 0.00 0.00 174.74 172.14 1gxr s ALA 475 N -1.08 2.57 -0.20 1.58 0.00 -1.26 -0.04 121.76 123.32 1gxr s ALA 475 Ca -0.08 -1.61 -0.13 0.00 0.00 0.00 0.00 51.96 50.14 1gxr s ALA 475 Cb -0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1gxr s ALA 475 CO 0.07 -0.97 0.26 0.50 0.00 0.00 0.00 175.76 175.62 1gxr s ARG 476 N 1.19 4.17 -0.15 0.00 3.52 -0.04 -4.88 118.95 122.77 1gxr s ARG 476 Ca -0.04 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.23 1gxr s ARG 476 Cb -0.18 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1gxr s ARG 476 CO -0.06 0.12 1.29 -0.65 -0.81 0.00 0.00 175.30 175.19 1gxr s GLN 477 N 0.85 4.24 -0.01 5.12 -0.21 -1.26 -0.04 119.66 128.35 1gxr s GLN 477 Ca 0.13 1.71 0.06 0.00 0.02 0.00 0.00 55.36 57.28 1gxr s GLN 477 Cb -0.13 -3.76 -0.09 0.00 1.00 0.00 0.00 33.01 30.03 1gxr s GLN 477 CO 0.04 -0.70 0.14 0.44 -2.12 0.00 0.00 175.29 173.09 1gxr n ILE 478 N 5.31 0.00 -3.78 1.08 -5.35 0.21 -4.94 119.36 111.90 1gxr n ILE 478 Ca 0.14 -0.16 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 1gxr n ILE 478 Cb 0.45 0.45 -0.09 0.00 -1.74 0.00 0.00 39.64 38.70 1gxr n ILE 478 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1gxr s ASN 479 N -2.52 -0.18 -0.14 7.28 0.01 -1.09 -4.99 114.94 113.30 1gxr s ASN 479 Ca -0.02 0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1gxr s ASN 479 Cb 0.04 0.36 0.01 0.00 0.41 0.00 0.00 41.25 42.07 1gxr s ASN 479 CO 0.24 -0.36 -0.20 -0.89 -1.51 0.00 0.00 177.10 174.38 1gxr s THR 480 N -1.00 1.90 -0.45 1.60 2.01 -1.26 -0.77 115.64 117.67 1gxr s THR 480 Ca -0.11 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1gxr s THR 480 Cb -0.05 -1.70 0.09 0.00 0.01 0.00 0.00 72.50 70.85 1gxr s THR 480 CO 0.03 0.52 0.32 -0.76 -0.69 0.00 0.00 174.62 174.04 1gxr s LEU 481 N 0.95 5.43 -1.29 4.42 1.43 0.78 -4.96 118.68 125.43 1gxr s LEU 481 Ca -0.05 -1.54 -0.18 0.00 -1.03 0.00 0.00 54.13 51.33 1gxr s LEU 481 Cb -0.15 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1gxr s LEU 481 CO -0.04 -0.61 1.89 0.59 0.23 0.00 0.00 176.35 178.41 1gxr n ASN 482 N 5.01 4.31 -0.10 2.29 5.03 -1.26 -1.03 115.26 129.51 1gxr n ASN 482 Ca -0.11 -2.86 -0.09 0.00 0.87 0.00 0.00 54.58 52.40 1gxr n ASN 482 Cb 0.43 -1.69 -0.01 0.00 -1.02 0.00 0.00 39.78 37.48 1gxr n ASN 482 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1gxr h HIS 483 N 7.49 0.44 0.00 3.10 2.76 -1.89 -3.47 115.15 123.57 1gxr h HIS 483 Ca 0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1gxr h HIS 483 Cb 0.81 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1gxr h HIS 483 CO 1.40 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 178.75 1gxr n GLY 484 N -1.08 0.35 3.07 5.26 0.00 -0.65 -5.02 105.19 107.11 1gxr n GLY 484 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1gxr n GLY 484 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gxr s GLU 485 N -0.78 0.54 0.15 1.61 0.41 -1.26 -4.93 118.70 114.45 1gxr s GLU 485 Ca 0.00 -1.06 -0.34 0.00 -0.41 0.00 0.00 54.97 53.16 1gxr s GLU 485 Cb 0.00 0.15 -0.13 0.00 -1.78 0.00 0.00 34.13 32.37 1gxr s GLU 485 CO 0.00 -0.09 1.62 0.28 -0.49 0.00 0.00 175.26 176.58 1gxr n VAL 486 N 0.50 0.05 -2.96 2.63 0.31 -1.26 -4.00 118.33 113.59 1gxr n VAL 486 Ca -0.17 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.72 1gxr n VAL 486 Cb 0.59 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 1gxr n VAL 486 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1gxr s VAL 487 N 1.20 4.68 -0.97 2.52 1.01 -1.09 -4.31 120.40 123.43 1gxr s VAL 487 Ca 0.79 -1.16 0.28 0.00 0.00 0.00 0.00 61.98 61.89 1gxr s VAL 487 Cb -0.66 -4.68 0.17 0.00 0.00 0.00 0.00 36.38 31.21 1gxr s VAL 487 CO 0.38 -1.39 1.75 0.00 0.00 0.00 0.00 175.10 175.84 1gxr s ALA 489 N -3.01 -0.81 -0.04 0.00 0.00 -1.17 -4.62 121.76 112.09 1gxr s ALA 489 Ca 0.13 0.85 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 1gxr s ALA 489 Cb 0.18 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1gxr s ALA 489 CO 0.59 -0.17 0.18 0.14 0.00 0.00 0.00 175.76 176.50 1gxr s VAL 490 N -0.03 0.03 0.01 0.00 -7.23 -1.26 -0.31 120.40 111.61 1gxr s VAL 490 Ca -0.02 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 1gxr s VAL 490 Cb -0.03 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.59 1gxr s VAL 490 CO 0.01 -0.14 0.28 0.28 -0.31 0.00 0.00 175.10 175.22 1gxr s THR 491 N -0.47 0.07 0.00 5.32 -1.32 -0.42 -4.63 115.64 114.20 1gxr s THR 491 Ca -0.06 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 59.93 1gxr s THR 491 Cb -0.04 -0.69 -0.02 0.00 -1.51 0.00 0.00 72.50 70.24 1gxr s THR 491 CO 0.01 -0.32 -0.26 -0.63 -2.21 0.00 0.00 174.62 171.21 1gxr s ILE 492 N -1.71 2.09 0.91 5.08 1.01 -1.26 -0.21 121.20 127.11 1gxr s ILE 492 Ca -0.11 -1.22 -0.12 0.00 0.00 0.00 0.00 60.65 59.20 1gxr s ILE 492 Cb -0.04 -1.75 0.14 0.00 0.01 0.00 0.00 42.46 40.82 1gxr s ILE 492 CO 0.02 0.50 1.10 -0.94 0.00 0.00 0.00 174.94 175.61 1gxr s SER 493 N -0.85 3.38 -0.14 3.58 1.04 0.00 -4.92 113.70 115.79 1gxr s SER 493 Ca 0.11 1.33 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 1gxr s SER 493 Cb -0.10 -2.01 0.05 0.00 0.10 0.00 0.00 66.02 64.07 1gxr s SER 493 CO 0.00 -2.68 0.09 0.21 0.98 0.00 0.00 173.24 171.85 1gxr s ASN 494 N -3.55 1.99 0.90 7.02 2.47 -1.26 -3.05 114.94 119.45 1gxr s ASN 494 Ca 0.64 -0.42 -0.10 0.00 0.42 0.00 0.00 52.86 53.40 1gxr s ASN 494 Cb -0.17 -0.18 0.14 0.00 -1.45 0.00 0.00 41.25 39.58 1gxr s ASN 494 CO 0.56 -0.32 1.15 -2.16 -3.72 0.00 0.00 177.10 172.61 1gxr s PRO 495 N 2.16 1.14 0.08 0.43 0.04 -1.26 -4.80 135.00 132.78 1gxr s PRO 495 Ca 0.03 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 1gxr s PRO 495 Cb -0.15 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1gxr s PRO 495 CO -0.08 -2.54 1.75 0.99 0.04 0.00 0.00 177.00 177.17 1gxr s THR 496 N -2.64 2.89 0.01 1.26 2.01 -1.17 -4.62 115.64 113.38 1gxr s THR 496 Ca 0.67 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.96 1gxr s THR 496 Cb -0.23 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1gxr s THR 496 CO 0.57 -0.01 0.00 -1.14 -0.69 0.00 0.00 174.62 173.36 1gxr n ARG 497 N 5.96 0.00 -4.69 4.92 0.63 -1.26 -4.94 116.66 117.28 1gxr n ARG 497 Ca 0.17 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.78 1gxr n ARG 497 Cb 0.40 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.19 1gxr n ARG 497 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1gxr s HIS 498 N -2.00 2.75 -0.01 -0.14 3.76 -1.26 -1.39 115.29 117.00 1gxr s HIS 498 Ca 0.00 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1gxr s HIS 498 Cb 0.00 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.06 1gxr s HIS 498 CO 0.00 0.27 -0.17 0.08 -0.85 0.00 0.00 174.74 174.07 1gxr s VAL 499 N -0.85 2.88 -0.13 -0.90 1.01 0.02 -0.82 120.40 121.61 1gxr s VAL 499 Ca 0.14 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1gxr s VAL 499 Cb -0.11 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1gxr s VAL 499 CO 0.04 0.49 -0.20 -0.31 0.00 0.00 0.00 175.10 175.12 1gxr s TYR 500 N -0.80 2.67 -0.08 5.22 1.51 0.71 -0.81 117.35 125.77 1gxr s TYR 500 Ca 0.13 -1.06 0.04 0.00 -1.01 0.00 0.00 57.07 55.17 1gxr s TYR 500 Cb -0.11 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 1gxr s TYR 500 CO 0.02 -0.45 -0.21 0.95 -1.11 0.00 0.00 175.55 174.76 1gxr s THR 501 N 0.56 2.40 -0.21 -0.71 -4.23 -0.51 -1.30 115.64 111.64 1gxr s THR 501 Ca -0.12 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1gxr s THR 501 Cb -0.16 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 1gxr s THR 501 CO 0.04 0.56 -0.04 -0.83 -0.54 0.00 0.00 174.62 173.81 1gxr s GLY 502 N -0.07 1.63 0.00 3.99 0.00 0.58 -0.70 107.32 112.74 1gxr s GLY 502 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1gxr s GLY 502 CO 0.04 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.09 1gxr n GLY 503 N 4.57 1.63 3.33 0.20 0.00 -0.58 -1.89 105.19 112.45 1gxr n GLY 503 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1gxr n GLY 503 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gxr s LYS 504 N 3.77 2.75 -1.52 1.61 2.20 -1.26 -1.36 119.74 125.93 1gxr s LYS 504 Ca 0.00 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.37 1gxr s LYS 504 Cb 0.00 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1gxr s LYS 504 CO 0.00 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1gxr n GLY 505 N 4.98 0.65 3.64 5.54 0.00 0.28 -4.69 105.19 115.59 1gxr n GLY 505 Ca -0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 1gxr n GLY 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s VAL 507 N 1.13 3.75 0.06 0.00 1.01 -0.13 -1.53 120.40 124.69 1gxr s VAL 507 Ca -0.06 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1gxr s VAL 507 Cb -0.04 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1gxr s VAL 507 CO -0.14 0.50 -0.05 -0.54 0.00 0.00 0.00 175.10 174.88 1gxr s LYS 508 N 0.31 2.46 -0.14 2.72 1.02 0.12 -0.29 119.74 125.95 1gxr s LYS 508 Ca -0.05 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 55.11 1gxr s LYS 508 Cb -0.14 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1gxr s LYS 508 CO 0.03 0.56 -0.11 0.08 -0.92 0.00 0.00 175.35 174.99 1gxr s VAL 509 N -1.16 3.22 -0.03 3.17 1.01 -0.11 -1.43 120.40 125.07 1gxr s VAL 509 Ca 0.21 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1gxr s VAL 509 Cb -0.11 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1gxr s VAL 509 CO 0.13 0.51 -0.24 0.26 0.00 0.00 0.00 175.10 175.76 1gxr s TRP 510 N 0.41 2.17 -0.46 5.22 0.52 0.01 -0.17 118.94 126.64 1gxr s TRP 510 Ca -0.09 -0.47 -0.15 0.00 0.02 0.00 0.00 56.10 55.41 1gxr s TRP 510 Cb -0.15 -1.41 0.07 0.00 -1.15 0.00 0.00 33.47 30.82 1gxr s TRP 510 CO 0.05 -0.08 0.38 0.34 0.02 0.00 0.00 176.95 177.66 1gxr s ASP 511 N -0.45 6.12 0.00 2.95 -1.08 -1.26 -0.80 116.67 122.15 1gxr s ASP 511 Ca 0.06 -1.29 0.20 0.00 -0.52 0.00 0.00 52.55 50.99 1gxr s ASP 511 Cb -0.10 -2.17 0.54 0.00 -1.46 0.00 0.00 42.92 39.73 1gxr s ASP 511 CO 0.00 -0.62 1.44 2.30 0.52 0.00 0.00 175.17 178.81 1gxr n ILE 512 N 5.19 0.47 -0.18 4.11 -5.35 -0.48 -4.10 119.36 119.02 1gxr n ILE 512 Ca -0.12 -0.60 0.01 0.00 -0.27 0.00 0.00 62.75 61.77 1gxr n ILE 512 Cb 0.44 0.56 0.22 0.00 -1.74 0.00 0.00 39.64 39.12 1gxr n ILE 512 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1gxr n SER 513 N 0.94 3.80 0.00 7.28 3.41 -1.25 -5.04 113.62 122.77 1gxr n SER 513 Ca 0.18 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1gxr n SER 513 Cb 0.46 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1gxr n SER 513 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1gxr n HIS 514 N 0.22 0.00 -0.46 7.33 8.25 -1.26 -5.17 115.22 124.13 1gxr n HIS 514 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1gxr n HIS 514 Cb 0.89 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1gxr n HIS 514 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1gxr n LYS 518 N 0.00 0.37 -3.85 -0.41 4.81 -1.26 -5.22 118.16 112.60 1gxr n LYS 518 Ca 0.00 -0.04 -0.21 0.00 -0.87 0.00 0.00 58.31 57.20 1gxr n LYS 518 Cb 0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.70 1gxr n LYS 518 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1gxr s SER 519 N -0.06 6.12 0.44 3.14 0.01 -1.26 -4.68 113.70 117.42 1gxr s SER 519 Ca 0.00 -0.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.96 1gxr s SER 519 Cb 0.00 -1.63 -0.09 0.00 0.21 0.00 0.00 66.02 64.51 1gxr s SER 519 CO 0.00 -0.17 1.37 -2.65 0.41 0.00 0.00 173.24 172.20 1gxr n PRO 520 N -1.45 2.10 0.04 12.44 -0.02 -1.26 -4.68 135.00 142.17 1gxr n PRO 520 Ca -0.06 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1gxr n PRO 520 Cb 0.57 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1gxr n PRO 520 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1gxr n VAL 521 N -0.25 0.26 -3.76 -1.45 0.24 0.77 -4.99 118.33 109.15 1gxr n VAL 521 Ca 0.06 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.34 62.00 1gxr n VAL 521 Cb 0.41 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.82 1gxr n VAL 521 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1gxr s SER 522 N -4.28 -0.14 -0.00 -1.34 0.15 -1.20 -5.02 113.70 101.87 1gxr s SER 522 Ca 0.02 -0.42 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 1gxr s SER 522 Cb 0.13 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1gxr s SER 522 CO 0.80 -0.86 0.57 0.00 1.20 0.00 0.00 173.24 174.96 1gxr s GLN 523 N -3.05 1.01 -0.22 5.44 -2.07 -1.26 -0.94 119.66 118.57 1gxr s GLN 523 Ca 0.14 -0.00 0.02 0.00 -1.82 0.00 0.00 55.36 53.69 1gxr s GLN 523 Cb -0.01 0.47 0.05 0.00 -1.09 0.00 0.00 33.01 32.42 1gxr s GLN 523 CO 0.02 -0.34 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.03 1gxr s LEU 524 N -1.55 2.70 0.16 2.60 1.43 0.61 -4.98 118.68 119.65 1gxr s LEU 524 Ca -0.09 -1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1gxr s LEU 524 Cb -0.01 -1.39 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 1gxr s LEU 524 CO 0.04 -0.14 0.46 -1.81 0.23 0.00 0.00 176.35 175.13 1gxr s ASP 525 N 1.27 6.60 0.32 2.29 1.01 -1.26 -0.95 116.67 125.94 1gxr s ASP 525 Ca -0.03 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.02 1gxr s ASP 525 Cb -0.17 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1gxr s ASP 525 CO -0.08 0.03 0.52 0.00 0.21 0.00 0.00 175.17 175.86 1gxr h LEU 527 N 0.96 0.27 -8.28 0.00 4.07 -1.99 -3.36 115.31 106.98 1gxr h LEU 527 Ca -0.50 0.07 -0.68 0.00 0.08 0.00 0.00 57.88 56.85 1gxr h LEU 527 Cb 1.21 0.03 -0.28 0.00 1.08 0.00 0.00 40.66 42.70 1gxr h LEU 527 CO 0.62 0.17 -0.66 0.21 -1.08 0.00 0.00 178.44 177.70 1gxr s ASN 528 N -5.42 4.89 0.00 -0.43 2.47 -1.26 -4.96 114.94 110.23 1gxr s ASN 528 Ca -0.13 -0.83 0.00 0.00 0.42 0.00 0.00 52.86 52.32 1gxr s ASN 528 Cb 0.16 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1gxr s ASN 528 CO 0.74 -0.19 0.34 -2.11 -3.72 0.00 0.00 177.10 172.17 1gxr n ARG 529 N 4.79 0.37 0.00 0.43 1.85 -1.26 -1.68 116.66 121.16 1gxr n ARG 529 Ca -0.15 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.75 1gxr n ARG 529 Cb 0.47 -1.03 -0.00 0.00 -1.05 0.00 0.00 32.46 30.86 1gxr n ARG 529 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1gxr n ASP 530 N -0.39 1.16 -4.63 2.89 8.00 -1.26 -4.20 116.55 118.12 1gxr n ASP 530 Ca 0.00 -1.08 -0.43 0.00 0.71 0.00 0.00 54.79 53.99 1gxr n ASP 530 Cb 0.01 0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1gxr n ASP 530 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1gxr s ASN 531 N -1.26 6.75 -0.05 -2.24 0.01 -0.68 -4.77 114.94 112.70 1gxr s ASN 531 Ca 0.08 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 53.05 1gxr s ASN 531 Cb 0.07 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1gxr s ASN 531 CO 0.23 -1.03 1.25 -0.31 -1.51 0.00 0.00 177.10 175.73 1gxr s TYR 532 N 4.16 3.09 0.09 2.20 2.02 -1.26 1.00 117.35 128.64 1gxr s TYR 532 Ca 0.53 1.10 -0.26 0.00 -0.37 0.00 0.00 57.07 58.07 1gxr s TYR 532 Cb -0.15 -3.49 -0.06 0.00 -0.40 0.00 0.00 41.96 37.86 1gxr s TYR 532 CO 0.21 -1.62 0.79 0.42 -1.57 0.00 0.00 175.55 173.79 1gxr s ILE 533 N 2.34 4.59 -0.07 2.71 1.01 -0.47 -0.70 121.20 130.61 1gxr s ILE 533 Ca 0.58 1.70 0.06 0.00 0.00 0.00 0.00 60.65 62.99 1gxr s ILE 533 Cb -0.26 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 37.98 1gxr s ILE 533 CO 0.23 0.41 0.16 0.54 0.00 0.00 0.00 174.94 176.27 1gxr n ARG 534 N 2.42 1.33 -3.53 2.79 5.12 -0.41 -4.48 116.66 119.91 1gxr n ARG 534 Ca -0.03 -0.04 -0.16 0.00 -1.93 0.00 0.00 57.85 55.69 1gxr n ARG 534 Cb 0.50 -1.06 -0.06 0.00 -1.16 0.00 0.00 32.46 30.69 1gxr n ARG 534 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1gxr s SER 535 N -2.42 -0.57 -0.22 0.55 0.15 -0.72 -4.59 113.70 105.88 1gxr s SER 535 Ca -0.01 0.59 -0.11 0.00 0.70 0.00 0.00 55.95 57.12 1gxr s SER 535 Cb 0.04 0.47 0.08 0.00 -1.71 0.00 0.00 66.02 64.90 1gxr s SER 535 CO 0.25 -0.55 0.52 0.00 1.20 0.00 0.00 173.24 174.65 1gxr s LYS 537 N 1.84 1.18 0.08 0.00 -0.14 -0.57 -4.62 119.74 117.52 1gxr s LYS 537 Ca -0.08 -0.57 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 1gxr s LYS 537 Cb -0.08 -1.15 -0.04 0.00 -1.68 0.00 0.00 37.83 34.87 1gxr s LYS 537 CO -0.16 0.31 0.22 -0.51 -0.76 0.00 0.00 175.35 174.45 1gxr s LEU 538 N -0.45 4.31 0.43 3.17 1.43 -1.26 -0.77 118.68 125.54 1gxr s LEU 538 Ca 0.05 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1gxr s LEU 538 Cb -0.06 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.19 1gxr s LEU 538 CO -0.00 0.14 0.78 -0.76 0.23 0.00 0.00 176.35 176.74 1gxr s LEU 539 N -2.66 3.77 0.24 1.79 1.43 -0.81 -4.95 118.68 117.49 1gxr s LEU 539 Ca 0.34 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.44 1gxr s LEU 539 Cb -0.12 -4.00 0.34 0.00 0.03 0.00 0.00 46.19 42.44 1gxr s LEU 539 CO 0.28 -0.45 1.40 -2.65 0.23 0.00 0.00 176.35 175.16 1gxr n PRO 540 N -1.54 -0.13 -0.11 1.29 -0.02 -1.26 -0.34 135.00 132.90 1gxr n PRO 540 Ca 0.02 1.40 -0.06 0.00 -2.02 0.00 0.00 63.50 62.84 1gxr n PRO 540 Cb 0.54 -2.08 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 1gxr n PRO 540 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1gxr h ASP 541 N 0.00 0.18 0.00 2.55 2.03 -1.93 -3.45 116.42 115.80 1gxr h ASP 541 Ca 0.39 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 1gxr h ASP 541 Cb 0.61 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1gxr h ASP 541 CO -0.92 0.14 0.00 0.61 -1.03 0.00 0.00 179.24 178.05 1gxr n GLY 542 N -1.22 1.06 1.09 7.15 0.00 0.54 -4.94 105.19 108.88 1gxr n GLY 542 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1gxr n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s THR 544 N -1.12 -0.05 -0.08 0.00 2.01 -1.26 -0.07 115.64 115.07 1gxr s THR 544 Ca 0.39 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.60 1gxr s THR 544 Cb 0.21 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.57 1gxr s THR 544 CO 0.28 0.07 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.87 1gxr s LEU 545 N 1.03 1.90 -0.22 4.42 2.96 -0.60 -1.93 118.68 126.24 1gxr s LEU 545 Ca -0.08 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 1gxr s LEU 545 Cb -0.11 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1gxr s LEU 545 CO -0.04 0.11 0.08 -0.63 -1.32 0.00 0.00 176.35 174.55 1gxr s ILE 546 N 0.42 4.62 -0.14 6.68 1.01 0.05 -0.36 121.20 133.48 1gxr s ILE 546 Ca -0.16 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1gxr s ILE 546 Cb -0.16 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 1gxr s ILE 546 CO 0.06 0.38 -0.17 -0.69 0.00 0.00 0.00 174.94 174.52 1gxr s VAL 547 N 1.11 2.58 0.13 2.92 1.01 0.09 -1.50 120.40 126.74 1gxr s VAL 547 Ca 0.05 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1gxr s VAL 547 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1gxr s VAL 547 CO 0.03 0.53 -0.15 -0.83 0.00 0.00 0.00 175.10 174.68 1gxr s GLY 548 N 0.63 1.13 0.00 4.51 0.00 -0.24 -1.16 107.32 112.20 1gxr s GLY 548 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1gxr s GLY 548 CO 0.03 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1gxr n GLY 549 N 0.51 1.34 2.56 0.20 0.00 -1.22 -1.29 105.19 107.29 1gxr n GLY 549 Ca -0.15 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1gxr n GLY 549 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gxr n GLU 550 N 0.00 2.73 -3.71 1.61 1.02 0.13 -0.25 120.64 122.17 1gxr n GLU 550 Ca 0.00 -1.92 -0.10 0.00 -0.02 0.00 0.00 57.16 55.12 1gxr n GLU 550 Cb 0.00 -2.73 -0.06 0.00 -0.02 0.00 0.00 31.44 28.63 1gxr n GLU 550 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gxr s ALA 551 N 3.08 -0.72 -0.18 0.62 0.00 -1.24 -4.62 121.76 118.69 1gxr s ALA 551 Ca 0.54 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1gxr s ALA 551 Cb 0.14 0.56 0.27 0.00 0.00 0.00 0.00 23.12 24.09 1gxr s ALA 551 CO -0.03 -0.56 1.39 -1.13 0.00 0.00 0.00 175.76 175.42 1gxr n SER 552 N -0.00 3.36 -3.66 0.00 3.41 -1.21 -3.98 113.62 111.54 1gxr n SER 552 Ca -0.16 -2.66 -0.14 0.00 -0.26 0.00 0.00 58.87 55.65 1gxr n SER 552 Cb 0.62 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1gxr n SER 552 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gxr s THR 553 N -1.35 0.00 -0.20 6.66 -1.32 -1.26 -1.90 115.64 116.27 1gxr s THR 553 Ca 0.23 -0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.60 1gxr s THR 553 Cb 0.20 -0.89 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1gxr s THR 553 CO 0.04 -0.00 0.20 -0.76 -2.21 0.00 0.00 174.62 171.89 1gxr s LEU 554 N 0.31 4.18 -0.27 9.08 1.43 0.19 -4.67 118.68 128.94 1gxr s LEU 554 Ca -0.00 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1gxr s LEU 554 Cb -0.04 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1gxr s LEU 554 CO 0.01 0.11 0.17 -0.44 0.23 0.00 0.00 176.35 176.43 1gxr s SER 555 N 0.65 5.95 -0.38 2.29 0.01 -0.31 -0.65 113.70 121.26 1gxr s SER 555 Ca 0.11 0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 1gxr s SER 555 Cb -0.12 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1gxr s SER 555 CO 0.02 -0.02 0.36 -0.63 0.41 0.00 0.00 173.24 173.39 1gxr s ILE 556 N 1.56 5.17 -0.12 1.44 1.01 -0.36 -0.73 121.20 129.17 1gxr s ILE 556 Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1gxr s ILE 556 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1gxr s ILE 556 CO 0.09 -0.25 0.12 0.26 0.00 0.00 0.00 174.94 175.16 1gxr s TRP 557 N 1.97 3.54 -0.33 3.97 0.52 0.52 0.73 118.94 129.85 1gxr s TRP 557 Ca 0.10 0.47 -0.17 0.00 0.02 0.00 0.00 56.10 56.53 1gxr s TRP 557 Cb -0.17 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1gxr s TRP 557 CO 0.12 0.67 0.45 0.34 0.02 0.00 0.00 176.95 178.54 1gxr s ASP 558 N -0.87 6.27 -0.76 2.95 2.15 -0.77 -1.56 116.67 124.08 1gxr s ASP 558 Ca 0.14 -0.02 -0.02 0.00 0.43 0.00 0.00 52.55 53.08 1gxr s ASP 558 Cb -0.12 -2.24 0.40 0.00 -0.30 0.00 0.00 42.92 40.66 1gxr s ASP 558 CO 0.03 -0.39 2.03 0.18 -0.17 0.00 0.00 175.17 176.86 1gxr n LEU 559 N 5.56 7.61 -1.29 -1.34 4.77 0.90 -3.41 117.00 129.81 1gxr n LEU 559 Ca -0.07 -4.58 0.02 0.00 -0.03 0.00 0.00 56.01 51.36 1gxr n LEU 559 Cb 0.49 -1.02 0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1gxr n LEU 559 CO 0.42 1.62 0.13 0.00 -1.33 0.00 0.00 177.39 178.23 1gxr n ALA 560 N -0.72 2.49 -3.50 -1.18 0.00 -1.26 -4.72 120.51 111.61 1gxr n ALA 560 Ca 0.58 -1.91 -0.14 0.00 0.00 0.00 0.00 53.44 51.97 1gxr n ALA 560 Cb 0.44 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 1gxr n ALA 560 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1gxr s PRO 564 N 0.00 0.02 0.21 0.00 0.02 -1.26 -5.23 135.00 128.76 1gxr s PRO 564 Ca 0.25 0.19 -0.14 0.00 0.02 0.00 0.00 61.00 61.32 1gxr s PRO 564 Cb 0.28 -0.15 0.01 0.00 0.02 0.00 0.00 34.50 34.66 1gxr s PRO 564 CO -0.12 -0.12 0.47 1.03 -0.33 0.00 0.00 177.00 177.93 1gxr s ARG 565 N 0.77 1.42 -0.03 5.54 0.52 -1.22 -5.00 118.95 120.95 1gxr s ARG 565 Ca -0.06 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 53.78 1gxr s ARG 565 Cb -0.09 0.48 -0.07 0.00 0.52 0.00 0.00 34.95 35.79 1gxr s ARG 565 CO -0.03 -0.59 1.91 0.42 0.02 0.00 0.00 175.30 177.03 1gxr s ILE 566 N -3.95 3.19 0.07 1.52 1.01 -1.26 -1.84 121.20 119.93 1gxr s ILE 566 Ca 0.16 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.96 1gxr s ILE 566 Cb -0.00 -3.16 -0.30 0.00 0.01 0.00 0.00 42.46 39.01 1gxr s ILE 566 CO 0.03 -0.04 1.11 0.50 0.00 0.00 0.00 174.94 176.54 1gxr h LYS 567 N 10.95 0.33 -2.18 2.79 3.64 -0.01 -3.47 116.57 128.62 1gxr h LYS 567 Ca -0.45 -0.56 0.18 0.00 -1.27 0.00 0.00 60.65 58.55 1gxr h LYS 567 Cb 1.22 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 33.13 1gxr h LYS 567 CO 0.95 1.27 0.54 0.00 -2.27 0.00 0.00 179.45 179.94 1gxr s ALA 568 N -2.64 -1.79 -0.04 5.00 0.00 -1.03 -5.02 121.76 116.23 1gxr s ALA 568 Ca -0.05 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1gxr s ALA 568 Cb 0.06 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1gxr s ALA 568 CO 0.90 -0.90 -0.09 -1.21 0.00 0.00 0.00 175.76 174.45 1gxr s GLU 569 N -3.09 1.18 -0.44 0.00 2.02 -1.26 -1.22 118.70 115.88 1gxr s GLU 569 Ca 0.10 -0.29 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 1gxr s GLU 569 Cb -0.01 -1.06 0.10 0.00 0.10 0.00 0.00 34.13 33.26 1gxr s GLU 569 CO -0.02 0.03 0.30 -0.51 0.02 0.00 0.00 175.26 175.07 1gxr s LEU 570 N 0.56 5.40 0.06 1.80 1.43 0.18 -4.93 118.68 123.19 1gxr s LEU 570 Ca -0.10 -1.70 -0.23 0.00 -1.03 0.00 0.00 54.13 51.07 1gxr s LEU 570 Cb -0.13 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 1gxr s LEU 570 CO 0.02 -0.61 0.69 -0.89 0.23 0.00 0.00 176.35 175.79 1gxr s THR 571 N 1.39 4.69 0.14 5.49 2.01 -1.26 -0.64 115.64 127.46 1gxr s THR 571 Ca 0.04 1.49 0.06 0.00 0.31 0.00 0.00 61.69 63.59 1gxr s THR 571 Cb -0.24 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1gxr s THR 571 CO 0.01 0.44 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.31 1gxr s SER 572 N -0.50 1.98 0.48 3.53 1.04 -0.80 -4.99 113.70 114.44 1gxr s SER 572 Ca 0.34 -0.88 0.27 0.00 0.48 0.00 0.00 55.95 56.17 1gxr s SER 572 Cb -0.20 -0.06 1.04 0.00 0.10 0.00 0.00 66.02 66.90 1gxr s SER 572 CO 0.22 -0.20 1.87 0.77 0.98 0.00 0.00 173.24 176.88 1gxr h SER 573 N 3.25 0.00 -3.91 7.02 4.64 -1.98 -3.45 113.55 119.12 1gxr h SER 573 Ca -0.39 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.41 1gxr h SER 573 Cb 1.20 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.36 1gxr h SER 573 CO 0.55 0.13 0.63 0.00 -0.87 0.00 0.00 176.83 177.27 1gxr s ALA 574 N -3.62 3.39 0.25 5.18 0.00 -1.26 -4.94 121.76 120.75 1gxr s ALA 574 Ca 0.01 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1gxr s ALA 574 Cb 0.09 -3.49 0.36 0.00 0.00 0.00 0.00 23.12 20.08 1gxr s ALA 574 CO 0.61 -0.74 1.85 -1.35 0.00 0.00 0.00 175.76 176.12 1gxr h PRO 575 N 3.03 0.94 -3.02 0.00 0.11 -1.89 -3.40 132.00 127.76 1gxr h PRO 575 Ca -0.49 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.60 1gxr h PRO 575 Cb 1.24 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 1gxr h PRO 575 CO 0.64 0.62 0.21 0.00 -0.21 0.00 0.00 178.00 179.26 1gxr s ALA 576 N -6.05 -1.29 -0.16 -0.75 0.00 -1.26 -3.36 121.76 108.90 1gxr s ALA 576 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1gxr s ALA 576 Cb 0.19 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.15 1gxr s ALA 576 CO 0.79 -0.96 -0.06 0.00 0.00 0.00 0.00 175.76 175.52 1gxr n TYR 578 N 3.73 0.00 -3.54 0.00 0.53 0.41 -3.40 117.16 114.91 1gxr n TYR 578 Ca -0.18 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.55 1gxr n TYR 578 Cb 0.52 -0.37 -0.05 0.00 -1.03 0.00 0.00 39.34 38.41 1gxr n TYR 578 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1gxr s ALA 579 N -3.16 -1.82 0.10 -0.72 0.00 -1.24 -4.67 121.76 110.24 1gxr s ALA 579 Ca -0.06 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.34 1gxr s ALA 579 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1gxr s ALA 579 CO 0.72 -0.37 -0.16 -0.51 0.00 0.00 0.00 175.76 175.44 1gxr s LEU 580 N -1.25 2.34 -0.10 0.00 1.43 -1.26 -0.46 118.68 119.38 1gxr s LEU 580 Ca -0.07 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1gxr s LEU 580 Cb -0.00 -0.62 0.04 0.00 0.03 0.00 0.00 46.19 45.64 1gxr s LEU 580 CO 0.06 -0.08 0.23 0.00 0.23 0.00 0.00 176.35 176.79 1gxr s ALA 581 N -1.65 -0.55 -0.11 4.21 0.00 0.05 -4.91 121.76 118.81 1gxr s ALA 581 Ca 0.05 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 1gxr s ALA 581 Cb -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1gxr s ALA 581 CO 0.03 -0.16 0.03 0.42 0.00 0.00 0.00 175.76 176.08 1gxr s ILE 582 N 0.79 4.56 0.61 0.00 -1.09 -1.26 0.72 121.20 125.54 1gxr s ILE 582 Ca -0.06 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.06 1gxr s ILE 582 Cb -0.07 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1gxr s ILE 582 CO -0.05 0.59 1.08 -0.94 -1.23 0.00 0.00 174.94 174.39 1gxr s SER 583 N -0.72 5.54 0.29 3.58 1.04 -0.36 -4.90 113.70 118.17 1gxr s SER 583 Ca 0.12 1.92 0.03 0.00 0.48 0.00 0.00 55.95 58.49 1gxr s SER 583 Cb -0.12 -2.54 0.65 0.00 0.10 0.00 0.00 66.02 64.11 1gxr s SER 583 CO 0.02 -1.33 1.78 -0.65 0.98 0.00 0.00 173.24 174.04 1gxr h PRO 584 N 0.37 0.74 0.00 4.02 0.11 -1.94 0.34 132.00 135.64 1gxr h PRO 584 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gxr h PRO 584 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1gxr h PRO 584 CO 0.56 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.44 1gxr n ASP 585 N -4.77 0.00 -1.62 -2.05 5.68 -1.26 -4.87 116.55 107.66 1gxr n ASP 585 Ca 0.21 -0.26 -0.20 0.00 -0.50 0.00 0.00 54.79 54.03 1gxr n ASP 585 Cb 0.50 -0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.20 1gxr n ASP 585 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1gxr n SER 586 N -1.19 -5.49 -0.00 -1.12 7.64 0.12 -4.83 113.62 108.74 1gxr n SER 586 Ca 0.13 0.47 0.08 0.00 1.01 0.00 0.00 58.87 60.56 1gxr n SER 586 Cb 0.15 -4.77 -0.11 0.00 -1.01 0.00 0.00 64.21 58.47 1gxr n SER 586 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1gxr n LYS 587 N -2.44 1.10 -4.50 1.43 4.81 -1.26 -4.93 118.16 112.36 1gxr n LYS 587 Ca -0.21 -0.04 -0.22 0.00 -0.87 0.00 0.00 58.31 56.96 1gxr n LYS 587 Cb 0.67 -1.34 -0.14 0.00 0.02 0.00 0.00 35.03 34.24 1gxr n LYS 587 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1gxr s VAL 588 N -2.79 1.34 -0.11 3.15 1.01 -1.26 -2.31 120.40 119.42 1gxr s VAL 588 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1gxr s VAL 588 Cb 0.13 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1gxr s VAL 588 CO 0.72 0.12 -0.17 0.00 0.00 0.00 0.00 175.10 175.76 1gxr s PHE 590 N 0.85 3.44 -0.09 0.00 0.40 0.22 -0.65 117.98 122.15 1gxr s PHE 590 Ca -0.09 0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1gxr s PHE 590 Cb -0.15 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.19 1gxr s PHE 590 CO 0.00 0.31 -0.20 0.45 0.70 0.00 0.00 175.22 176.48 1gxr s SER 591 N 0.29 2.70 -0.43 1.36 0.15 0.48 -0.77 113.70 117.47 1gxr s SER 591 Ca 0.11 -0.48 -0.23 0.00 0.70 0.00 0.00 55.95 56.04 1gxr s SER 591 Cb -0.12 -1.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.98 1gxr s SER 591 CO -0.00 0.12 0.78 0.00 1.20 0.00 0.00 173.24 175.33 1gxr n SER 594 N -0.44 0.10 -0.33 0.00 3.41 0.80 -1.34 113.62 115.83 1gxr n SER 594 Ca 0.02 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1gxr n SER 594 Cb 0.53 -0.55 0.31 0.00 -0.26 0.00 0.00 64.21 64.24 1gxr n SER 594 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gxr n ASP 595 N -1.62 1.29 0.00 4.04 3.85 -1.26 -2.42 116.55 120.44 1gxr n ASP 595 Ca 0.02 -1.08 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 1gxr n ASP 595 Cb 0.11 0.19 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1gxr n ASP 595 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gxr n GLY 596 N 1.34 2.49 3.83 6.12 0.00 -0.45 -4.39 105.19 114.14 1gxr n GLY 596 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1gxr n GLY 596 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gxr s ASN 597 N -1.36 6.79 -0.43 1.61 0.01 -1.26 -3.76 114.94 116.54 1gxr s ASN 597 Ca 0.00 1.58 -0.08 0.00 -0.71 0.00 0.00 52.86 53.65 1gxr s ASN 597 Cb 0.00 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.25 1gxr s ASN 597 CO 0.00 -0.43 0.26 -0.63 -1.51 0.00 0.00 177.10 174.80 1gxr s ILE 598 N -2.33 4.03 0.04 0.60 -1.09 -0.55 -1.25 121.20 120.65 1gxr s ILE 598 Ca 0.60 -1.60 -0.27 0.00 -2.23 0.00 0.00 60.65 57.14 1gxr s ILE 598 Cb -0.09 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1gxr s ILE 598 CO 0.21 -0.59 0.85 0.00 -1.23 0.00 0.00 174.94 174.17 1gxr s ALA 599 N 1.36 3.30 -0.28 9.38 0.00 -0.15 -1.20 121.76 134.16 1gxr s ALA 599 Ca 0.04 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 1gxr s ALA 599 Cb -0.24 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1gxr s ALA 599 CO 0.00 -0.03 0.07 0.08 0.00 0.00 0.00 175.76 175.88 1gxr s VAL 600 N 0.23 3.99 -0.10 0.00 1.01 -0.47 -0.39 120.40 124.67 1gxr s VAL 600 Ca 0.43 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1gxr s VAL 600 Cb -0.21 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1gxr s VAL 600 CO 0.25 0.17 -0.06 0.26 0.00 0.00 0.00 175.10 175.73 1gxr s TRP 601 N 1.53 2.97 -0.48 5.22 0.52 0.18 -1.35 118.94 127.51 1gxr s TRP 601 Ca 0.04 -0.13 -0.24 0.00 0.02 0.00 0.00 56.10 55.79 1gxr s TRP 601 Cb -0.16 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 1gxr s TRP 601 CO 0.02 0.17 0.84 0.34 0.02 0.00 0.00 176.95 178.34 1gxr s ASP 602 N -0.32 6.39 0.09 2.95 -1.08 -0.05 -1.15 116.67 123.50 1gxr s ASP 602 Ca 0.05 -0.19 -0.26 0.00 -0.52 0.00 0.00 52.55 51.62 1gxr s ASP 602 Cb -0.12 -2.40 -0.13 0.00 -1.46 0.00 0.00 42.92 38.80 1gxr s ASP 602 CO 0.02 -1.03 1.68 -0.07 0.52 0.00 0.00 175.17 176.30 1gxr h LEU 603 N 10.42 -0.39 -0.25 -1.34 3.38 -1.77 0.53 115.31 125.88 1gxr h LEU 603 Ca -0.25 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1gxr h LEU 603 Cb 1.08 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1gxr h LEU 603 CO 1.01 -0.23 0.17 -0.74 0.09 0.00 0.00 178.44 178.73 1gxr h HIS 604 N -0.35 0.32 0.00 1.13 2.76 -1.93 -2.45 115.15 114.63 1gxr h HIS 604 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1gxr h HIS 604 Cb 0.31 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1gxr h HIS 604 CO -0.12 0.20 -0.11 0.09 -1.30 0.00 0.00 177.93 176.70 1gxr n ASN 605 N -4.91 0.45 -3.66 3.26 3.02 -1.21 -4.95 115.26 107.26 1gxr n ASN 605 Ca -0.02 0.43 -0.21 0.00 -0.03 0.00 0.00 54.58 54.75 1gxr n ASN 605 Cb 0.03 -0.49 0.04 0.00 -0.61 0.00 0.00 39.78 38.75 1gxr n ASN 605 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gxr n GLN 606 N -1.87 -4.95 -3.93 3.52 6.02 0.18 -4.99 117.38 111.35 1gxr n GLN 606 Ca 0.06 0.65 -0.10 0.00 -0.01 0.00 0.00 57.00 57.60 1gxr n GLN 606 Cb 0.39 -5.24 -0.11 0.00 1.02 0.00 0.00 30.24 26.29 1gxr n GLN 606 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1gxr s THR 607 N -3.62 0.08 -0.27 5.09 -1.32 -0.95 -4.96 115.64 109.69 1gxr s THR 607 Ca 0.02 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1gxr s THR 607 Cb -0.01 -0.24 -0.00 0.00 -1.51 0.00 0.00 72.50 70.75 1gxr s THR 607 CO 0.80 -0.36 1.26 -0.22 -2.21 0.00 0.00 174.62 173.89 1gxr s LEU 608 N -1.09 3.97 -0.01 9.08 2.96 -1.26 -0.87 118.68 131.45 1gxr s LEU 608 Ca -0.12 1.32 0.20 0.00 -0.22 0.00 0.00 54.13 55.31 1gxr s LEU 608 Cb -0.07 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 1gxr s LEU 608 CO -0.00 -0.97 0.54 1.33 -1.32 0.00 0.00 176.35 175.93 1gxr n VAL 609 N 5.94 0.59 -3.80 1.68 0.24 -0.46 -4.97 118.33 117.55 1gxr n VAL 609 Ca 0.14 -0.62 0.02 0.00 -2.04 0.00 0.00 64.34 61.85 1gxr n VAL 609 Cb 0.46 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1gxr n VAL 609 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gxr s ARG 610 N -3.18 0.39 -0.00 7.34 1.70 -1.23 -5.04 118.95 118.93 1gxr s ARG 610 Ca -0.06 -0.24 -0.08 0.00 -0.47 0.00 0.00 55.73 54.88 1gxr s ARG 610 Cb 0.11 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1gxr s ARG 610 CO 0.86 -0.18 0.16 -0.65 -1.08 0.00 0.00 175.30 174.41 1gxr s GLN 611 N -2.20 0.50 -0.38 3.89 -0.21 -1.26 -1.37 119.66 118.63 1gxr s GLN 611 Ca 0.22 -0.35 -0.02 0.00 0.02 0.00 0.00 55.36 55.23 1gxr s GLN 611 Cb 0.02 0.21 0.10 0.00 1.00 0.00 0.00 33.01 34.34 1gxr s GLN 611 CO -0.02 -0.12 0.15 -0.06 -2.12 0.00 0.00 175.29 173.12 1gxr s PHE 612 N -1.33 3.58 0.11 0.91 0.08 -0.34 -4.94 117.98 116.05 1gxr s PHE 612 Ca -0.14 -2.44 -0.03 0.00 0.12 0.00 0.00 56.93 54.44 1gxr s PHE 612 Cb -0.07 -3.03 -0.05 0.00 -0.57 0.00 0.00 43.02 39.30 1gxr s PHE 612 CO 0.02 -0.95 0.32 -0.65 -0.10 0.00 0.00 175.22 173.86 1gxr s GLN 613 N 1.12 3.56 0.00 0.44 -0.21 -1.26 -1.49 119.66 121.82 1gxr s GLN 613 Ca 0.07 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.26 1gxr s GLN 613 Cb -0.22 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.87 1gxr s GLN 613 CO -0.04 0.52 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 1gxr n GLY 614 N 0.22 0.85 3.67 3.09 0.00 -1.26 -4.79 105.19 106.97 1gxr n GLY 614 Ca -0.04 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 1gxr n GLY 614 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gxr n HIS 615 N 0.00 2.44 0.14 1.61 8.25 -1.25 -4.85 115.22 121.56 1gxr n HIS 615 Ca 0.00 -0.24 0.04 0.00 -0.26 0.00 0.00 57.72 57.25 1gxr n HIS 615 Cb 0.00 -2.75 0.44 0.00 1.12 0.00 0.00 29.99 28.79 1gxr n HIS 615 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1gxr h THR 616 N 5.59 1.14 -2.94 1.59 1.35 -1.89 -3.39 112.91 114.35 1gxr h THR 616 Ca -0.49 -0.61 -0.55 0.00 -0.55 0.00 0.00 66.41 64.20 1gxr h THR 616 Cb 1.25 1.13 -0.16 0.00 -1.73 0.00 0.00 68.15 68.64 1gxr h THR 616 CO 0.94 0.19 -0.77 -1.81 -0.25 0.00 0.00 175.52 173.82 1gxr s ASP 617 N -6.90 3.01 0.29 5.36 1.01 -1.26 -4.86 116.67 113.32 1gxr s ASP 617 Ca -0.05 -0.93 -0.27 0.00 0.71 0.00 0.00 52.55 52.00 1gxr s ASP 617 Cb 0.16 -0.20 -0.14 0.00 1.01 0.00 0.00 42.92 43.74 1gxr s ASP 617 CO 0.72 -0.02 0.87 0.61 0.21 0.00 0.00 175.17 177.57 1gxr n GLY 618 N -0.06 -0.67 3.74 0.21 0.00 -1.01 -3.97 105.19 103.44 1gxr n GLY 618 Ca -0.10 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1gxr n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s ALA 619 N -1.09 3.34 -0.18 4.61 0.00 -0.80 -1.28 121.76 126.37 1gxr s ALA 619 Ca 0.60 0.74 0.12 0.00 0.00 0.00 0.00 51.96 53.43 1gxr s ALA 619 Cb -0.73 -3.31 -0.18 0.00 0.00 0.00 0.00 23.12 18.90 1gxr s ALA 619 CO 0.59 -0.10 0.34 -1.13 0.00 0.00 0.00 175.76 175.47 1gxr n SER 620 N 2.21 1.68 -3.77 0.00 3.41 0.13 -4.43 113.62 112.84 1gxr n SER 620 Ca 0.01 -0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.30 1gxr n SER 620 Cb 0.47 1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 65.77 1gxr n SER 620 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gxr s ILE 622 N -3.86 0.00 0.00 0.00 2.07 -1.26 -1.87 121.20 116.28 1gxr s ILE 622 Ca 0.07 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.02 1gxr s ILE 622 Cb 0.03 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.72 1gxr s ILE 622 CO -0.09 0.00 0.86 -0.62 -1.91 0.00 0.00 174.94 173.18 1gxr s ASP 623 N -2.39 -0.40 -0.11 4.50 -1.08 -0.58 -4.91 116.67 111.69 1gxr s ASP 623 Ca 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1gxr s ASP 623 Cb -0.01 0.41 -0.02 0.00 -1.46 0.00 0.00 42.92 41.84 1gxr s ASP 623 CO -0.08 -0.64 -0.12 -0.63 0.52 0.00 0.00 175.17 174.22 1gxr s ILE 624 N -2.98 3.21 0.78 4.11 1.01 -1.26 -1.51 121.20 124.56 1gxr s ILE 624 Ca 0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1gxr s ILE 624 Cb -0.01 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1gxr s ILE 624 CO -0.08 0.54 0.58 -1.54 0.00 0.00 0.00 174.94 174.44 1gxr n SER 625 N 3.22 -1.11 0.24 3.58 3.41 -0.83 -4.79 113.62 117.34 1gxr n SER 625 Ca -0.18 0.54 0.17 0.00 -0.26 0.00 0.00 58.87 59.14 1gxr n SER 625 Cb 0.53 -1.25 0.88 0.00 -0.26 0.00 0.00 64.21 64.11 1gxr n SER 625 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gxr h ASN 626 N -0.66 0.00 1.70 4.04 -1.07 -1.83 0.13 115.58 117.89 1gxr h ASN 626 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.91 1gxr h ASN 626 Cb 1.33 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.58 1gxr h ASN 626 CO 0.41 0.00 -0.30 -2.24 0.07 0.00 0.00 177.43 175.37 1gxr h ASP 627 N 0.00 0.00 -0.26 6.14 -0.00 -1.92 -3.48 116.42 116.91 1gxr h ASP 627 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 57.02 1gxr h ASP 627 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.72 1gxr h ASP 627 CO -0.00 0.03 -0.07 0.61 -0.00 0.00 0.00 179.24 179.81 1gxr n GLY 628 N 1.13 0.55 0.01 7.15 0.00 0.47 -4.91 105.19 109.59 1gxr n GLY 628 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.19 1gxr n GLY 628 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gxr n THR 629 N -3.17 0.00 -4.50 2.61 -2.24 -1.26 -4.98 114.28 100.74 1gxr n THR 629 Ca -0.04 -0.42 -0.25 0.00 -2.27 0.00 0.00 64.05 61.07 1gxr n THR 629 Cb 0.22 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.32 1gxr n THR 629 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1gxr s LYS 630 N -1.26 1.29 -0.07 -0.78 1.02 -1.26 -2.21 119.74 116.47 1gxr s LYS 630 Ca 0.02 -1.05 0.05 0.00 0.02 0.00 0.00 55.97 55.01 1gxr s LYS 630 Cb 0.03 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1gxr s LYS 630 CO 0.14 0.36 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.52 1gxr s LEU 631 N -1.50 2.06 -0.09 3.17 2.96 -0.43 -1.96 118.68 122.89 1gxr s LEU 631 Ca 0.07 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1gxr s LEU 631 Cb -0.09 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1gxr s LEU 631 CO 0.03 0.20 -0.23 0.26 -1.32 0.00 0.00 176.35 175.29 1gxr s TRP 632 N 0.04 2.56 0.12 5.38 0.52 -0.57 0.56 118.94 127.54 1gxr s TRP 632 Ca -0.09 -0.90 0.01 0.00 0.02 0.00 0.00 56.10 55.14 1gxr s TRP 632 Cb -0.15 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1gxr s TRP 632 CO 0.05 -0.33 -0.04 0.95 0.02 0.00 0.00 176.95 177.61 1gxr s THR 633 N 0.18 0.62 0.03 2.01 -4.23 0.14 -1.53 115.64 112.86 1gxr s THR 633 Ca -0.13 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1gxr s THR 633 Cb -0.16 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 1gxr s THR 633 CO 0.07 -0.75 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.47 1gxr s GLY 634 N -3.07 0.56 0.21 3.99 0.00 -0.78 -0.46 107.32 107.76 1gxr s GLY 634 Ca 0.15 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.27 1gxr s GLY 634 CO -0.02 -0.66 -0.07 -0.32 0.00 0.00 0.00 173.10 172.02 1gxr s GLY 635 N -1.06 1.44 0.00 0.20 0.00 0.43 0.17 107.32 108.50 1gxr s GLY 635 Ca -0.03 -1.69 0.15 0.00 0.00 0.00 0.00 44.72 43.15 1gxr s GLY 635 CO 0.01 -1.70 1.32 1.04 0.00 0.00 0.00 173.10 173.77 1gxr n LEU 636 N -0.38 0.00 -1.21 0.66 4.77 -0.40 -2.24 117.00 118.21 1gxr n LEU 636 Ca -0.07 0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1gxr n LEU 636 Cb 0.62 -0.06 0.18 0.00 -2.33 0.00 0.00 43.42 41.83 1gxr n LEU 636 CO 0.36 -0.03 0.58 -0.90 -1.33 0.00 0.00 177.39 176.06 1gxr n ASP 637 N -1.06 3.26 -2.31 -1.43 5.75 -1.26 -4.73 116.55 114.77 1gxr n ASP 637 Ca 0.10 -2.47 -0.20 0.00 -0.01 0.00 0.00 54.79 52.21 1gxr n ASP 637 Cb 0.06 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.55 1gxr n ASP 637 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gxr n ASN 638 N 0.24 -5.66 -4.21 -1.12 4.13 -0.95 -4.95 115.26 102.74 1gxr n ASN 638 Ca 0.15 -0.05 -0.16 0.00 1.68 0.00 0.00 54.58 56.20 1gxr n ASN 638 Cb 0.74 -4.67 -0.11 0.00 -1.54 0.00 0.00 39.78 34.20 1gxr n ASN 638 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1gxr s THR 639 N -3.00 1.10 -0.09 3.41 -4.23 -1.22 -3.37 115.64 108.24 1gxr s THR 639 Ca 0.03 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1gxr s THR 639 Cb -0.01 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.36 1gxr s THR 639 CO 0.04 -0.53 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.78 1gxr s VAL 640 N -2.45 1.20 0.16 2.29 1.01 -1.26 -0.43 120.40 120.92 1gxr s VAL 640 Ca 0.08 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1gxr s VAL 640 Cb -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1gxr s VAL 640 CO 0.01 0.38 -0.13 -0.13 0.00 0.00 0.00 175.10 175.23 1gxr s ARG 641 N 1.02 1.13 0.08 2.72 0.52 0.39 -1.92 118.95 122.89 1gxr s ARG 641 Ca -0.07 -1.43 0.09 0.00 -0.52 0.00 0.00 55.73 53.80 1gxr s ARG 641 Cb -0.15 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.43 1gxr s ARG 641 CO -0.01 0.14 -0.23 0.45 0.02 0.00 0.00 175.30 175.67 1gxr s SER 642 N -2.98 3.48 0.17 0.23 0.15 -1.13 -0.68 113.70 112.93 1gxr s SER 642 Ca 0.16 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1gxr s SER 642 Cb -0.01 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.87 1gxr s SER 642 CO 0.03 0.22 -0.04 0.26 1.20 0.00 0.00 173.24 174.92 1gxr s TRP 643 N -0.96 1.25 -0.17 3.44 0.52 0.19 -0.46 118.94 122.76 1gxr s TRP 643 Ca 0.14 -0.92 -0.06 0.00 0.02 0.00 0.00 56.10 55.28 1gxr s TRP 643 Cb -0.10 -0.70 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1gxr s TRP 643 CO 0.05 -0.09 0.03 0.34 0.02 0.00 0.00 176.95 177.30 1gxr s ASP 644 N -3.18 5.37 0.00 2.95 3.68 -1.21 -1.31 116.67 122.97 1gxr s ASP 644 Ca 0.21 0.03 0.00 0.00 2.13 0.00 0.00 52.55 54.92 1gxr s ASP 644 Cb 0.05 -1.88 0.00 0.00 -1.45 0.00 0.00 42.92 39.64 1gxr s ASP 644 CO 0.03 0.19 0.56 0.18 0.13 0.00 0.00 175.17 176.26 1gxr n LEU 645 N 3.42 1.29 0.07 -1.34 4.77 -0.94 -2.51 117.00 121.75 1gxr n LEU 645 Ca -0.17 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1gxr n LEU 645 Cb 0.52 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1gxr n LEU 645 CO 0.34 0.28 -0.00 0.54 -1.33 0.00 0.00 177.39 177.22 1gxr n ARG 646 N 0.11 0.00 0.01 3.23 1.74 -1.26 -4.89 116.66 115.59 1gxr n ARG 646 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1gxr n ARG 646 Cb 0.28 -0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.65 1gxr n ARG 646 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1gxr h GLU 647 N 0.00 0.06 0.00 5.56 5.08 -1.98 -3.47 114.58 119.83 1gxr h GLU 647 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1gxr h GLU 647 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1gxr h GLU 647 CO 0.00 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1gxr n GLY 648 N -0.76 0.70 3.29 -3.84 0.00 -1.05 -5.06 105.19 98.47 1gxr n GLY 648 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1gxr n GLY 648 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxr s ARG 649 N -0.73 1.22 0.58 1.61 0.52 -1.26 -4.73 118.95 116.16 1gxr s ARG 649 Ca 0.00 -1.59 -0.19 0.00 -0.52 0.00 0.00 55.73 53.43 1gxr s ARG 649 Cb 0.00 -0.48 -0.07 0.00 0.52 0.00 0.00 34.95 34.93 1gxr s ARG 649 CO 0.00 -0.09 0.80 0.94 0.02 0.00 0.00 175.30 176.97 1gxr n GLN 650 N -0.32 0.77 0.05 3.54 7.27 -1.26 -3.28 117.38 124.15 1gxr n GLN 650 Ca -0.06 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1gxr n GLN 650 Cb 0.63 -1.98 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1gxr n GLN 650 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1gxr n LEU 651 N -0.20 0.82 -4.78 1.69 4.77 0.39 -4.92 117.00 114.78 1gxr n LEU 651 Ca 0.13 0.15 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 1gxr n LEU 651 Cb 0.47 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1gxr n LEU 651 CO 0.50 -0.72 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.52 1gxr s GLN 652 N -1.84 2.77 -0.14 3.23 -0.21 -1.25 -4.97 119.66 117.26 1gxr s GLN 652 Ca 0.00 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.26 1gxr s GLN 652 Cb 0.00 -2.50 0.07 0.00 1.00 0.00 0.00 33.01 31.58 1gxr s GLN 652 CO 0.00 0.42 0.25 -1.14 -2.12 0.00 0.00 175.29 172.70 1gxr s GLN 653 N -3.57 0.15 0.24 2.91 2.00 -1.26 -2.84 119.66 117.28 1gxr s GLN 653 Ca 0.32 0.64 0.06 0.00 -2.00 0.00 0.00 55.36 54.38 1gxr s GLN 653 Cb -0.08 -0.25 -0.04 0.00 0.80 0.00 0.00 33.01 33.44 1gxr s GLN 653 CO 0.23 -0.36 0.21 -1.01 -0.50 0.00 0.00 175.29 173.87 1gxr s HIS 654 N 2.40 3.17 -0.13 1.67 3.76 -0.81 -5.02 115.29 120.33 1gxr s HIS 654 Ca 0.03 -0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1gxr s HIS 654 Cb -0.13 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.09 1gxr s HIS 654 CO -0.09 0.51 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.80 1gxr s ASP 655 N -3.77 5.12 -0.06 1.40 1.11 -1.26 -4.07 116.67 115.14 1gxr s ASP 655 Ca 0.33 0.03 -0.12 0.00 0.18 0.00 0.00 52.55 52.97 1gxr s ASP 655 Cb -0.08 -1.65 0.02 0.00 1.07 0.00 0.00 42.92 42.28 1gxr s ASP 655 CO 0.25 0.27 0.29 -0.36 1.18 0.00 0.00 175.17 176.80 1gxr s PHE 656 N -0.22 -0.24 -1.85 4.23 0.40 -1.22 -5.04 117.98 114.05 1gxr s PHE 656 Ca 0.05 0.51 0.28 0.00 -0.60 0.00 0.00 56.93 57.17 1gxr s PHE 656 Cb -0.12 0.09 1.17 0.00 0.51 0.00 0.00 43.02 44.67 1gxr s PHE 656 CO 0.02 -0.27 1.82 2.41 0.70 0.00 0.00 175.22 179.91 1gxr n THR 657 N 2.12 0.00 -4.14 0.64 -1.04 -1.26 -4.81 114.28 105.79 1gxr n THR 657 Ca -0.17 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 61.64 1gxr n THR 657 Cb 0.57 0.06 -0.10 0.00 -1.82 0.00 0.00 70.33 69.04 1gxr n THR 657 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gxr s SER 658 N -2.35 0.92 0.23 8.00 1.04 -1.26 -5.04 113.70 115.24 1gxr s SER 658 Ca 0.31 -1.00 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 1gxr s SER 658 Cb 0.20 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1gxr s SER 658 CO 0.45 -0.51 1.38 -1.10 0.98 0.00 0.00 173.24 174.44 1gxr s GLN 659 N -3.85 4.32 -0.02 4.02 -0.21 -1.26 -4.38 119.66 118.27 1gxr s GLN 659 Ca 0.10 2.20 -0.25 0.00 0.02 0.00 0.00 55.36 57.43 1gxr s GLN 659 Cb 0.06 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1gxr s GLN 659 CO -0.06 -0.34 0.77 0.42 -2.12 0.00 0.00 175.29 173.95 1gxr s ILE 660 N -0.01 4.92 -0.03 1.08 1.09 -1.20 0.53 121.20 127.59 1gxr s ILE 660 Ca 0.58 1.62 0.10 0.00 -1.10 0.00 0.00 60.65 61.84 1gxr s ILE 660 Cb -0.40 -4.12 -0.15 0.00 -1.06 0.00 0.00 42.46 36.74 1gxr s ILE 660 CO 0.42 0.27 0.18 0.49 -0.10 0.00 0.00 174.94 176.19 1gxr n PHE 661 N 3.52 0.00 -3.81 3.97 0.99 -0.75 -4.43 117.46 116.95 1gxr n PHE 661 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 1gxr n PHE 661 Cb 0.51 -0.28 -0.07 0.00 -1.00 0.00 0.00 39.48 38.64 1gxr n PHE 661 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1gxr s SER 662 N -3.37 0.01 0.01 4.37 1.04 -1.12 -4.57 113.70 110.08 1gxr s SER 662 Ca -0.04 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 1gxr s SER 662 Cb 0.06 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1gxr s SER 662 CO 0.41 -0.66 0.46 -0.22 0.98 0.00 0.00 173.24 174.22 1gxr s LEU 663 N -2.42 0.20 -0.22 2.42 0.20 -1.26 -0.93 118.68 116.66 1gxr s LEU 663 Ca -0.01 0.20 -0.16 0.00 0.69 0.00 0.00 54.13 54.85 1gxr s LEU 663 Cb 0.01 1.86 0.06 0.00 -0.43 0.00 0.00 46.19 47.70 1gxr s LEU 663 CO -0.07 -0.61 0.57 -0.83 -0.29 0.00 0.00 176.35 175.12 1gxr s GLY 664 N -1.67 -0.47 -0.22 7.98 0.00 0.30 -4.78 107.32 108.46 1gxr s GLY 664 Ca -0.08 1.85 -0.08 0.00 0.00 0.00 0.00 44.72 46.41 1gxr s GLY 664 CO 0.02 1.78 0.08 -0.47 0.00 0.00 0.00 173.10 174.52 1gxr s TYR 665 N 0.99 3.20 0.03 1.90 5.04 -1.26 0.12 117.35 127.36 1gxr s TYR 665 Ca -0.05 -0.06 -0.33 0.00 -2.44 0.00 0.00 57.07 54.19 1gxr s TYR 665 Cb -0.05 -2.17 -0.12 0.00 0.35 0.00 0.00 41.96 39.97 1gxr s TYR 665 CO -0.09 -0.04 1.83 0.00 -1.34 0.00 0.00 175.55 175.91 1gxr h PRO 667 N 8.61 0.05 0.00 0.00 0.11 -1.84 0.69 132.00 139.62 1gxr h PRO 667 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gxr h PRO 667 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1gxr h PRO 667 CO 0.94 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 1gxr n THR 668 N -5.31 0.31 -1.28 -1.15 -2.24 -1.26 -4.68 114.28 98.66 1gxr n THR 668 Ca 0.06 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1gxr n THR 668 Cb 0.28 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1gxr n THR 668 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gxr n GLY 669 N 0.18 -2.33 4.07 3.38 0.00 0.24 -4.96 105.19 105.77 1gxr n GLY 669 Ca 0.10 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1gxr n GLY 669 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gxr n GLU 670 N -0.58 0.00 -4.30 1.61 2.13 -1.26 -4.79 120.64 113.45 1gxr n GLU 670 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 1gxr n GLU 670 Cb 0.00 -0.40 -0.13 0.00 0.27 0.00 0.00 31.44 31.19 1gxr n GLU 670 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1gxr s TRP 671 N -0.23 1.82 -0.09 4.31 0.52 -1.26 -4.38 118.94 119.63 1gxr s TRP 671 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.69 1gxr s TRP 671 Cb 0.00 -1.00 0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1gxr s TRP 671 CO 0.00 0.21 0.01 -1.17 0.02 0.00 0.00 176.95 176.02 1gxr s LEU 672 N -1.90 0.65 -0.05 2.99 2.96 -0.38 -0.03 118.68 122.91 1gxr s LEU 672 Ca 0.07 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1gxr s LEU 672 Cb -0.10 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 1gxr s LEU 672 CO 0.04 -0.22 0.27 0.00 -1.32 0.00 0.00 176.35 175.12 1gxr s ALA 673 N 1.97 3.80 -0.01 5.97 0.00 0.12 0.24 121.76 133.85 1gxr s ALA 673 Ca 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1gxr s ALA 673 Cb -0.13 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.83 1gxr s ALA 673 CO -0.06 0.57 -0.09 0.08 0.00 0.00 0.00 175.76 176.26 1gxr s VAL 674 N -1.10 0.74 -0.12 0.00 1.01 0.23 -0.54 120.40 120.63 1gxr s VAL 674 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1gxr s VAL 674 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1gxr s VAL 674 CO 0.10 0.22 -0.13 -0.83 0.00 0.00 0.00 175.10 174.46 1gxr s GLY 675 N -0.07 1.55 0.36 4.51 0.00 -0.11 -1.74 107.32 111.81 1gxr s GLY 675 Ca 0.01 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.91 1gxr s GLY 675 CO -0.00 -0.27 0.17 1.06 0.00 0.00 0.00 173.10 174.05 1gxr s MET 676 N 0.18 2.34 0.54 2.90 -1.94 -1.14 -1.81 119.30 120.37 1gxr s MET 676 Ca -0.07 -1.62 0.22 0.00 -1.71 0.00 0.00 55.69 52.51 1gxr s MET 676 Cb -0.15 -2.14 1.42 0.00 2.01 0.00 0.00 34.83 35.97 1gxr s MET 676 CO 0.05 0.04 2.12 1.49 -0.01 0.00 0.00 175.02 178.71 1gxr h GLU 677 N 1.49 0.00 0.00 2.03 4.81 -0.18 -2.10 114.58 120.63 1gxr h GLU 677 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1gxr h GLU 677 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1gxr h GLU 677 CO 0.64 0.00 0.00 0.45 -0.73 0.00 0.00 179.01 179.37 1gxr n SER 678 N -4.31 0.00 0.00 1.04 2.88 -1.26 -3.55 113.62 108.42 1gxr n SER 678 Ca 0.01 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1gxr n SER 678 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1gxr n SER 678 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gxr n SER 679 N -0.02 0.00 -4.89 -3.46 3.41 -1.23 -3.16 113.62 104.28 1gxr n SER 679 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1gxr n SER 679 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1gxr n SER 679 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1gxr s ASN 680 N 0.00 6.42 -0.07 4.04 0.01 -1.26 -4.09 114.94 119.99 1gxr s ASN 680 Ca 0.00 1.02 0.01 0.00 -0.71 0.00 0.00 52.86 53.18 1gxr s ASN 680 Cb 0.00 -2.28 0.02 0.00 0.41 0.00 0.00 41.25 39.40 1gxr s ASN 680 CO 0.00 -0.45 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.37 1gxr s VAL 681 N -2.48 0.87 -0.03 1.60 1.01 -0.94 -2.86 120.40 117.56 1gxr s VAL 681 Ca 0.49 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1gxr s VAL 681 Cb -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1gxr s VAL 681 CO 0.36 0.31 -0.20 -1.61 0.00 0.00 0.00 175.10 173.96 1gxr s GLU 682 N 1.00 1.89 -0.39 2.72 2.02 -0.71 -0.18 118.70 125.05 1gxr s GLU 682 Ca -0.09 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 1gxr s GLU 682 Cb -0.15 -1.70 0.07 0.00 0.10 0.00 0.00 34.13 32.46 1gxr s GLU 682 CO -0.00 0.35 0.19 0.08 0.02 0.00 0.00 175.26 175.91 1gxr s VAL 683 N -0.22 3.88 0.15 2.63 1.01 -0.81 -0.60 120.40 126.44 1gxr s VAL 683 Ca 0.01 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.35 1gxr s VAL 683 Cb -0.10 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 1gxr s VAL 683 CO 0.01 -0.42 0.69 -0.76 0.00 0.00 0.00 175.10 174.62 1gxr s LEU 684 N 1.36 4.50 -0.10 3.92 1.02 0.14 -2.41 118.68 127.10 1gxr s LEU 684 Ca 0.02 1.44 -0.04 0.00 0.02 0.00 0.00 54.13 55.58 1gxr s LEU 684 Cb -0.22 -3.25 -0.01 0.00 0.02 0.00 0.00 46.19 42.73 1gxr s LEU 684 CO 0.01 0.18 -0.07 -0.74 0.02 0.00 0.00 176.35 175.75 1gxr h HIS 685 N 4.11 0.00 0.00 0.29 2.76 -1.77 -1.01 115.15 119.53 1gxr h HIS 685 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1gxr h HIS 685 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1gxr h HIS 685 CO 0.65 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 178.45 1gxr n LYS 688 N -4.30 0.00 -0.20 5.26 4.81 -1.26 -4.44 118.16 118.03 1gxr n LYS 688 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1gxr n LYS 688 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 1gxr n LYS 688 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1gxr n PRO 689 N -0.22 0.50 -2.63 1.64 -0.03 -1.26 -4.88 135.00 128.13 1gxr n PRO 689 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 63.50 63.42 1gxr n PRO 689 Cb 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 33.50 33.43 1gxr n PRO 689 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 175.50 175.07 1gxr n ASP 690 N -2.42 -1.85 -3.70 2.55 3.85 -1.25 -5.08 116.55 108.66 1gxr n ASP 690 Ca 0.00 1.38 -0.20 0.00 -0.71 0.00 0.00 54.79 55.25 1gxr n ASP 690 Cb 0.00 -5.30 -0.08 0.00 -1.35 0.00 0.00 41.12 34.38 1gxr n ASP 690 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1gxr s LYS 691 N -0.87 1.74 0.10 0.11 -2.85 -1.02 -3.99 119.74 112.96 1gxr s LYS 691 Ca -0.24 -2.02 0.09 0.00 -1.00 0.00 0.00 55.97 52.81 1gxr s LYS 691 Cb 0.02 0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1gxr s LYS 691 CO 0.80 -0.56 -0.23 0.71 0.10 0.00 0.00 175.35 176.16 1gxr s TYR 692 N -3.46 2.02 -0.09 1.78 1.51 -1.01 0.02 117.35 118.12 1gxr s TYR 692 Ca 0.35 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1gxr s TYR 692 Cb 0.03 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.77 1gxr s TYR 692 CO 0.22 0.23 -0.16 -1.14 -1.11 0.00 0.00 175.55 173.59 1gxr s GLN 693 N -1.79 2.19 -0.07 -0.62 0.74 0.31 -1.93 119.66 118.48 1gxr s GLN 693 Ca 0.10 -0.57 0.04 0.00 0.05 0.00 0.00 55.36 54.97 1gxr s GLN 693 Cb -0.10 -1.77 -0.02 0.00 1.10 0.00 0.00 33.01 32.22 1gxr s GLN 693 CO 0.04 0.03 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.12 1gxr s LEU 694 N 0.70 2.46 -0.37 3.68 1.43 0.74 -0.69 118.68 126.64 1gxr s LEU 694 Ca -0.13 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1gxr s LEU 694 Cb -0.16 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.68 1gxr s LEU 694 CO 0.03 0.27 0.15 -1.00 0.23 0.00 0.00 176.35 176.03 1gxr s HIS 695 N -0.26 2.25 0.00 0.29 3.76 0.16 -2.21 115.29 119.28 1gxr s HIS 695 Ca 0.01 -2.29 0.00 0.00 -0.15 0.00 0.00 55.06 52.62 1gxr s HIS 695 Cb -0.13 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1gxr s HIS 695 CO 0.03 -0.85 0.51 1.28 -0.85 0.00 0.00 174.74 174.86 1gxr n LEU 696 N 4.17 0.00 -4.45 0.89 4.77 -1.26 -4.72 117.00 116.40 1gxr n LEU 696 Ca 0.03 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 1gxr n LEU 696 Cb 0.39 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1gxr n LEU 696 CO 0.19 0.31 -0.48 -1.00 -1.33 0.00 0.00 177.39 175.08 1gxr s HIS 697 N 0.00 2.60 -1.63 -1.77 3.76 -1.26 -5.01 115.29 111.98 1gxr s HIS 697 Ca 0.00 -0.23 0.22 0.00 -0.15 0.00 0.00 55.06 54.90 1gxr s HIS 697 Cb 0.00 -1.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 1gxr s HIS 697 CO 0.00 0.18 1.04 0.39 -0.85 0.00 0.00 174.74 175.50 1gxr n GLU 698 N 2.03 0.73 -2.15 1.40 1.02 -1.26 -4.81 120.64 117.60 1gxr n GLU 698 Ca -0.17 -0.60 -0.02 0.00 -0.02 0.00 0.00 57.16 56.35 1gxr n GLU 698 Cb 0.52 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 1gxr n GLU 698 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1gxr n SER 699 N -0.61 -0.14 -4.63 1.62 2.88 -1.26 -4.96 113.62 106.52 1gxr n SER 699 Ca 0.07 -1.29 -0.43 0.00 -1.33 0.00 0.00 58.87 55.90 1gxr n SER 699 Cb 0.41 0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1gxr n SER 699 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gxr s VAL 701 N -1.14 4.91 0.20 0.00 1.01 -0.79 -1.59 120.40 123.00 1gxr s VAL 701 Ca 0.59 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1gxr s VAL 701 Cb -0.61 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.14 1gxr s VAL 701 CO 0.60 -1.22 1.50 -0.07 0.00 0.00 0.00 175.10 175.91 1gxr h LEU 702 N 9.76 0.55 -7.70 3.92 3.38 -1.41 -3.37 115.31 120.44 1gxr h LEU 702 Ca -0.11 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1gxr h LEU 702 Cb 1.06 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 1gxr h LEU 702 CO 1.04 1.01 -0.28 -0.94 0.09 0.00 0.00 178.44 179.36 1gxr s SER 703 N -6.93 0.01 -0.04 -0.43 1.04 -1.19 -4.38 113.70 101.78 1gxr s SER 703 Ca -0.07 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.60 1gxr s SER 703 Cb 0.11 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1gxr s SER 703 CO 0.83 -0.77 0.44 -0.22 0.98 0.00 0.00 173.24 174.50 1gxr s LEU 704 N -2.85 0.31 -0.23 2.42 0.20 -1.26 -0.29 118.68 116.98 1gxr s LEU 704 Ca 0.05 0.35 -0.13 0.00 0.69 0.00 0.00 54.13 55.09 1gxr s LEU 704 Cb 0.04 1.71 0.07 0.00 -0.43 0.00 0.00 46.19 47.58 1gxr s LEU 704 CO -0.11 -0.48 0.56 -0.75 -0.29 0.00 0.00 176.35 175.28 1gxr s LYS 705 N -1.18 0.56 0.33 1.98 2.47 -0.26 -4.76 119.74 118.90 1gxr s LYS 705 Ca -0.12 1.03 -0.20 0.00 -1.56 0.00 0.00 55.97 55.13 1gxr s LYS 705 Cb -0.03 0.07 -0.10 0.00 -1.46 0.00 0.00 37.83 36.31 1gxr s LYS 705 CO 0.06 -0.15 0.83 -0.06 0.16 0.00 0.00 175.35 176.19 1gxr s PHE 706 N 1.55 3.47 0.57 4.03 0.40 -1.26 -0.70 117.98 126.03 1gxr s PHE 706 Ca -0.10 1.46 -0.17 0.00 -0.60 0.00 0.00 56.93 57.52 1gxr s PHE 706 Cb -0.07 -2.71 -0.05 0.00 0.51 0.00 0.00 43.02 40.71 1gxr s PHE 706 CO -0.17 0.10 1.07 0.00 0.70 0.00 0.00 175.22 176.93 1gxr s ALA 707 N -1.88 2.73 0.42 5.36 0.00 -0.15 -4.87 121.76 123.36 1gxr s ALA 707 Ca 0.53 0.54 0.21 0.00 0.00 0.00 0.00 51.96 53.24 1gxr s ALA 707 Cb -0.13 -3.27 1.19 0.00 0.00 0.00 0.00 23.12 20.91 1gxr s ALA 707 CO 0.18 -0.74 2.01 1.88 0.00 0.00 0.00 175.76 179.08 1gxr h TYR 708 N 0.78 0.00 0.00 0.00 -1.99 -1.86 0.49 116.97 114.39 1gxr h TYR 708 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1gxr h TYR 708 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 1gxr h TYR 708 CO 0.56 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.90 1gxr n GLY 710 N 0.75 1.55 0.24 0.00 0.00 0.16 -4.63 105.19 103.26 1gxr n GLY 710 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1gxr n GLY 710 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gxr h LYS 711 N 1.76 0.00 -3.54 1.61 1.57 -1.90 -3.43 116.57 112.64 1gxr h LYS 711 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1gxr h LYS 711 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1gxr h LYS 711 CO 0.00 0.00 -0.05 1.67 -0.57 0.00 0.00 179.45 180.50 1gxr s TRP 712 N -3.60 0.29 0.25 -1.35 1.48 -1.26 -0.88 118.94 113.87 1gxr s TRP 712 Ca 0.01 -0.67 -0.16 0.00 -1.06 0.00 0.00 56.10 54.22 1gxr s TRP 712 Cb 0.09 0.29 0.01 0.00 -1.16 0.00 0.00 33.47 32.70 1gxr s TRP 712 CO 0.48 -1.06 0.57 -0.59 -4.06 0.00 0.00 176.95 172.30 1gxr s PHE 713 N -3.92 0.10 0.18 1.66 -0.12 0.02 -0.98 117.98 114.92 1gxr s PHE 713 Ca 0.21 -0.49 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1gxr s PHE 713 Cb -0.02 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1gxr s PHE 713 CO 0.09 -1.07 -0.16 0.14 -0.05 0.00 0.00 175.22 174.17 1gxr s VAL 714 N -3.96 1.70 0.04 -2.49 -7.23 0.12 -0.03 120.40 108.55 1gxr s VAL 714 Ca 0.16 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1gxr s VAL 714 Cb -0.03 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1gxr s VAL 714 CO 0.07 -0.48 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.36 1gxr s SER 715 N -2.99 0.76 0.14 4.85 1.04 -0.15 -1.10 113.70 116.24 1gxr s SER 715 Ca 0.18 -0.55 0.08 0.00 0.48 0.00 0.00 55.95 56.15 1gxr s SER 715 Cb -0.03 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1gxr s SER 715 CO 0.06 -0.22 -0.19 0.42 0.98 0.00 0.00 173.24 174.28 1gxr s THR 716 N -1.42 1.77 0.14 2.02 -4.23 0.60 -1.09 115.64 113.42 1gxr s THR 716 Ca -0.11 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1gxr s THR 716 Cb -0.10 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1gxr s THR 716 CO 0.00 -0.20 0.08 -0.83 -0.54 0.00 0.00 174.62 173.13 1gxr s GLY 717 N -2.32 0.95 0.16 3.99 0.00 -0.82 -1.19 107.32 108.09 1gxr s GLY 717 Ca 0.11 -1.41 0.19 0.00 0.00 0.00 0.00 44.72 43.61 1gxr s GLY 717 CO 0.05 -1.30 1.57 1.17 0.00 0.00 0.00 173.10 174.59 1gxr n LYS 718 N -0.11 0.11 -0.21 2.90 4.81 -0.62 -1.99 118.16 123.05 1gxr n LYS 718 Ca -0.05 0.40 0.02 0.00 -0.87 0.00 0.00 58.31 57.80 1gxr n LYS 718 Cb 0.64 -1.74 0.10 0.00 0.02 0.00 0.00 35.03 34.05 1gxr n LYS 718 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1gxr n ASP 719 N -1.95 2.07 -0.28 3.14 5.75 -1.26 -4.34 116.55 119.67 1gxr n ASP 719 Ca 0.02 -2.21 -0.04 0.00 -0.01 0.00 0.00 54.79 52.55 1gxr n ASP 719 Cb 0.17 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.74 1gxr n ASP 719 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gxr n ASN 720 N 0.14 -4.75 -4.72 -1.12 5.03 -0.90 -4.95 115.26 103.99 1gxr n ASN 720 Ca 0.07 0.09 -0.35 0.00 0.87 0.00 0.00 54.58 55.26 1gxr n ASN 720 Cb 0.46 -2.57 -0.09 0.00 -1.02 0.00 0.00 39.78 36.56 1gxr n ASN 720 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1gxr s LEU 721 N -0.83 3.73 -0.30 3.41 1.43 -1.25 -0.41 118.68 124.46 1gxr s LEU 721 Ca 0.00 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1gxr s LEU 721 Cb 0.00 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1gxr s LEU 721 CO 0.00 0.36 0.02 -0.22 0.23 0.00 0.00 176.35 176.74 1gxr s LEU 722 N -1.07 3.87 -0.09 1.79 2.96 -0.26 -1.94 118.68 123.93 1gxr s LEU 722 Ca 0.15 -1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 52.91 1gxr s LEU 722 Cb -0.12 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1gxr s LEU 722 CO 0.05 -0.25 -0.02 0.20 -1.32 0.00 0.00 176.35 175.01 1gxr s ASN 723 N 1.31 5.01 -0.14 3.68 0.02 -0.25 -1.03 114.94 123.54 1gxr s ASN 723 Ca -0.03 0.05 -0.02 0.00 -1.02 0.00 0.00 52.86 51.84 1gxr s ASN 723 Cb -0.19 -1.44 -0.02 0.00 0.02 0.00 0.00 41.25 39.62 1gxr s ASN 723 CO -0.00 0.34 -0.07 0.00 0.02 0.00 0.00 177.10 177.38 1gxr s ALA 724 N -0.65 2.87 0.05 0.60 0.00 -0.35 -0.97 121.76 123.30 1gxr s ALA 724 Ca 0.10 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.30 1gxr s ALA 724 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1gxr s ALA 724 CO 0.02 0.25 -0.22 -1.58 0.00 0.00 0.00 175.76 174.23 1gxr s TRP 725 N 0.28 1.96 0.16 0.00 0.52 0.96 -1.32 118.94 121.51 1gxr s TRP 725 Ca -0.06 -0.39 -0.27 0.00 0.02 0.00 0.00 56.10 55.40 1gxr s TRP 725 Cb -0.15 -1.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.94 1gxr s TRP 725 CO 0.04 0.12 0.84 0.50 0.02 0.00 0.00 176.95 178.47 1gxr s ARG 726 N -1.28 4.65 -0.00 4.98 6.06 -0.33 -0.80 118.95 132.24 1gxr s ARG 726 Ca 0.09 1.27 -0.24 0.00 -2.50 0.00 0.00 55.73 54.34 1gxr s ARG 726 Cb -0.09 -3.30 -0.05 0.00 0.06 0.00 0.00 34.95 31.57 1gxr s ARG 726 CO 0.02 0.46 0.75 0.99 -2.50 0.00 0.00 175.30 175.02 1gxr s THR 727 N -0.82 4.87 -0.20 4.11 2.01 -0.06 -1.06 115.64 124.49 1gxr s THR 727 Ca 0.39 1.57 0.11 0.00 0.31 0.00 0.00 61.69 64.07 1gxr s THR 727 Cb -0.23 -4.09 -0.15 0.00 0.01 0.00 0.00 72.50 68.03 1gxr s THR 727 CO 0.28 0.31 0.33 -0.81 -0.69 0.00 0.00 174.62 174.04 1gxr n PRO 728 N 3.23 1.47 0.17 4.92 -0.04 -1.26 -4.87 135.00 138.62 1gxr n PRO 728 Ca -0.02 -0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1gxr n PRO 728 Cb 0.51 -1.17 0.61 0.00 -0.04 0.00 0.00 33.50 33.40 1gxr n PRO 728 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1gxr h TYR 729 N 0.00 0.00 -0.82 0.54 -0.00 -1.97 -3.44 116.97 111.27 1gxr h TYR 729 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1gxr h TYR 729 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.15 1gxr h TYR 729 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1gxr n GLY 730 N -0.60 0.93 3.77 0.10 0.00 -0.22 -4.69 105.19 104.47 1gxr n GLY 730 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 1gxr n GLY 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gxr s ALA 731 N -2.82 3.32 -0.60 4.61 0.00 -1.25 -4.64 121.76 120.38 1gxr s ALA 731 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 1gxr s ALA 731 Cb 0.00 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1gxr s ALA 731 CO 0.00 -0.43 1.20 0.45 0.00 0.00 0.00 175.76 176.99 1gxr s SER 732 N -0.90 6.42 0.07 0.00 0.15 -1.26 -1.18 113.70 117.00 1gxr s SER 732 Ca 0.51 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 1gxr s SER 732 Cb -0.33 -2.55 -0.25 0.00 -1.71 0.00 0.00 66.02 61.18 1gxr s SER 732 CO 0.43 -1.52 1.15 0.40 1.20 0.00 0.00 173.24 174.90 1gxr h ILE 733 N 6.15 1.33 -2.14 6.45 2.04 -1.55 -3.48 117.51 126.31 1gxr h ILE 733 Ca -0.25 -2.51 0.13 0.00 1.00 0.00 0.00 64.86 63.22 1gxr h ILE 733 Cb 1.06 2.65 -0.16 0.00 -0.74 0.00 0.00 36.82 39.62 1gxr h ILE 733 CO 1.20 0.76 0.54 0.72 0.00 0.00 0.00 178.15 181.36 1gxr s PHE 734 N -3.02 -0.32 -0.00 1.37 -0.12 -1.24 -4.91 117.98 109.74 1gxr s PHE 734 Ca -0.08 0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 1gxr s PHE 734 Cb 0.06 0.53 -0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1gxr s PHE 734 CO 0.92 -0.49 -0.03 -0.65 -0.05 0.00 0.00 175.22 174.92 1gxr s GLN 735 N -2.91 0.23 -0.10 1.99 -0.21 -1.26 -1.21 119.66 116.18 1gxr s GLN 735 Ca 0.05 -0.09 -0.00 0.00 0.02 0.00 0.00 55.36 55.34 1gxr s GLN 735 Cb -0.01 -0.23 0.02 0.00 1.00 0.00 0.00 33.01 33.79 1gxr s GLN 735 CO -0.08 0.05 -0.08 0.45 -2.12 0.00 0.00 175.29 173.52 1gxr s SER 736 N -0.01 2.02 -0.37 5.90 0.15 -0.20 -5.00 113.70 116.19 1gxr s SER 736 Ca 0.01 -0.28 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 1gxr s SER 736 Cb -0.02 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1gxr s SER 736 CO -0.00 -0.10 0.44 -0.75 1.20 0.00 0.00 173.24 174.03 1gxr s LYS 737 N 1.54 3.44 0.71 5.44 2.47 -1.26 -1.10 119.74 130.98 1gxr s LYS 737 Ca 0.01 -0.43 -0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1gxr s LYS 737 Cb -0.13 -3.86 0.12 0.00 -1.46 0.00 0.00 37.83 32.50 1gxr s LYS 737 CO -0.06 -0.67 0.98 -1.21 0.16 0.00 0.00 175.35 174.55 1gxr s GLU 738 N 2.21 1.75 0.44 4.03 2.02 0.46 -5.02 118.70 124.59 1gxr s GLU 738 Ca 0.14 -1.03 0.24 0.00 0.02 0.00 0.00 54.97 54.35 1gxr s GLU 738 Cb -0.16 -2.33 0.68 0.00 0.10 0.00 0.00 34.13 32.43 1gxr s GLU 738 CO 0.13 -1.39 1.73 0.66 0.02 0.00 0.00 175.26 176.40 1gxr h SER 739 N -0.50 0.00 -2.53 -0.19 4.64 -1.98 -3.46 113.55 109.53 1gxr h SER 739 Ca -0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1gxr h SER 739 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1gxr h SER 739 CO 0.42 0.14 -0.05 -0.24 -0.87 0.00 0.00 176.83 176.23 1gxr n SER 740 N -3.19 -0.58 -4.67 4.97 2.88 -1.26 -4.98 113.62 106.80 1gxr n SER 740 Ca 0.02 -1.77 -0.40 0.00 -1.33 0.00 0.00 58.87 55.39 1gxr n SER 740 Cb 0.49 1.07 0.02 0.00 -0.75 0.00 0.00 64.21 65.04 1gxr n SER 740 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1gxr n SER 741 N -1.89 1.91 -4.16 -3.46 2.88 -1.26 -4.00 113.62 103.64 1gxr n SER 741 Ca 0.00 1.02 -0.37 0.00 -1.33 0.00 0.00 58.87 58.19 1gxr n SER 741 Cb 0.24 -1.45 -0.12 0.00 -0.75 0.00 0.00 64.21 62.13 1gxr n SER 741 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1gxr s VAL 742 N -1.28 3.42 -0.53 2.46 1.01 -0.84 -0.19 120.40 124.45 1gxr s VAL 742 Ca 0.65 -1.80 0.24 0.00 0.00 0.00 0.00 61.98 61.07 1gxr s VAL 742 Cb -0.49 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1gxr s VAL 742 CO 0.55 -0.55 1.21 -0.07 0.00 0.00 0.00 175.10 176.24 1gxr h LEU 743 N 8.11 0.00 -7.72 3.92 4.07 -1.49 -3.28 115.31 118.92 1gxr h LEU 743 Ca -0.16 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 1gxr h LEU 743 Cb 1.06 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.68 1gxr h LEU 743 CO 0.68 0.09 -0.11 -0.94 -1.08 0.00 0.00 178.44 177.08 1gxr s SER 744 N -4.51 -0.15 0.15 -0.43 1.04 -1.22 -4.37 113.70 104.21 1gxr s SER 744 Ca 0.04 -0.55 -0.24 0.00 0.48 0.00 0.00 55.95 55.68 1gxr s SER 744 Cb 0.12 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.81 1gxr s SER 744 CO 0.75 -0.94 0.72 0.00 0.98 0.00 0.00 173.24 174.75 1gxr s ASP 746 N -2.75 -0.51 -0.02 0.00 2.15 -0.46 -4.78 116.67 110.30 1gxr s ASP 746 Ca 0.05 0.22 0.05 0.00 0.43 0.00 0.00 52.55 53.31 1gxr s ASP 746 Cb -0.02 0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 43.11 1gxr s ASP 746 CO -0.06 -0.76 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.36 1gxr s ILE 747 N -2.55 1.47 0.65 4.11 1.01 -1.26 -1.12 121.20 123.51 1gxr s ILE 747 Ca -0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1gxr s ILE 747 Cb -0.01 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1gxr s ILE 747 CO -0.02 0.42 1.11 -0.94 0.00 0.00 0.00 174.94 175.51 1gxr s SER 748 N -0.35 5.17 0.61 3.58 1.04 -0.44 -4.91 113.70 118.39 1gxr s SER 748 Ca 0.05 2.02 0.33 0.00 0.48 0.00 0.00 55.95 58.83 1gxr s SER 748 Cb -0.08 -2.55 1.98 0.00 0.10 0.00 0.00 66.02 65.46 1gxr s SER 748 CO -0.00 -1.59 2.29 -0.37 0.98 0.00 0.00 173.24 174.54 1gxr h VAL 749 N 0.14 0.40 -0.25 5.02 -1.51 -1.91 0.40 116.25 118.54 1gxr h VAL 749 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1gxr h VAL 749 Cb 1.25 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1gxr h VAL 749 CO 0.54 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.98 1gxr n ASP 750 N -3.66 1.96 -1.75 4.19 5.68 -1.26 -4.77 116.55 116.93 1gxr n ASP 750 Ca -0.03 -1.81 -0.16 0.00 -0.50 0.00 0.00 54.79 52.29 1gxr n ASP 750 Cb 0.08 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 39.85 1gxr n ASP 750 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1gxr n ASP 751 N 0.52 -4.43 0.05 -1.12 8.00 0.13 -4.84 116.55 114.86 1gxr n ASP 751 Ca 0.16 0.31 0.08 0.00 0.71 0.00 0.00 54.79 56.05 1gxr n ASP 751 Cb 0.36 -3.93 -0.07 0.00 -0.02 0.00 0.00 41.12 37.46 1gxr n ASP 751 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gxr n LYS 752 N -2.31 0.63 -4.08 -1.24 5.02 -1.26 -4.79 118.16 110.12 1gxr n LYS 752 Ca -0.17 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.04 1gxr n LYS 752 Cb 0.57 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 1gxr n LYS 752 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1gxr s TYR 753 N -3.27 0.73 -0.03 2.13 1.51 -1.26 -0.56 117.35 116.60 1gxr s TYR 753 Ca -0.03 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.61 1gxr s TYR 753 Cb 0.10 -0.44 -0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1gxr s TYR 753 CO 0.83 -0.06 -0.19 0.42 -1.11 0.00 0.00 175.55 175.43 1gxr s ILE 754 N -1.30 1.55 -0.05 2.71 1.01 -0.50 -1.33 121.20 123.29 1gxr s ILE 754 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1gxr s ILE 754 Cb -0.10 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 1gxr s ILE 754 CO 0.01 0.44 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 1gxr s VAL 755 N -0.20 1.48 0.08 2.92 1.01 -0.28 -0.11 120.40 125.30 1gxr s VAL 755 Ca 0.01 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1gxr s VAL 755 Cb -0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1gxr s VAL 755 CO 0.01 0.43 -0.22 0.42 0.00 0.00 0.00 175.10 175.74 1gxr s THR 756 N 0.14 1.81 -0.12 3.92 -4.23 -0.49 -1.36 115.64 115.30 1gxr s THR 756 Ca -0.07 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1gxr s THR 756 Cb -0.13 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1gxr s THR 756 CO 0.03 0.10 0.08 -0.83 -0.54 0.00 0.00 174.62 173.45 1gxr s GLY 757 N -1.60 2.00 0.21 3.99 0.00 -0.12 -0.98 107.32 110.81 1gxr s GLY 757 Ca 0.08 -0.72 0.11 0.00 0.00 0.00 0.00 44.72 44.19 1gxr s GLY 757 CO 0.03 -0.34 -0.20 -0.45 0.00 0.00 0.00 173.10 172.14 1gxr s SER 758 N -0.66 3.65 0.00 1.64 0.15 0.51 -1.41 113.70 117.59 1gxr s SER 758 Ca 0.12 -0.83 0.19 0.00 0.70 0.00 0.00 55.95 56.13 1gxr s SER 758 Cb -0.12 -0.37 0.82 0.00 -1.71 0.00 0.00 66.02 64.65 1gxr s SER 758 CO 0.02 0.10 1.61 0.61 1.20 0.00 0.00 173.24 176.79 1gxr n GLY 759 N 0.06 -1.15 1.52 9.45 0.00 0.73 -2.67 105.19 113.14 1gxr n GLY 759 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1gxr n GLY 759 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gxr n ASP 760 N -1.49 3.49 -3.62 1.61 8.00 -1.26 -4.81 116.55 118.47 1gxr n ASP 760 Ca 0.05 -2.74 -0.21 0.00 0.71 0.00 0.00 54.79 52.59 1gxr n ASP 760 Cb 0.22 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1gxr n ASP 760 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1gxr n LYS 761 N -0.12 -6.05 -3.88 -1.24 5.02 -1.10 -4.92 118.16 105.87 1gxr n LYS 761 Ca 0.26 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 57.20 1gxr n LYS 761 Cb 1.01 -5.57 -0.01 0.00 -0.02 0.00 0.00 35.03 30.44 1gxr n LYS 761 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1gxr s LYS 762 N -5.89 1.89 0.10 1.97 -2.85 -1.25 -1.63 119.74 112.08 1gxr s LYS 762 Ca 0.17 -1.22 0.05 0.00 -1.00 0.00 0.00 55.97 53.97 1gxr s LYS 762 Cb -0.08 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 1gxr s LYS 762 CO 0.77 -0.86 -0.14 0.00 0.10 0.00 0.00 175.35 175.23 1gxr s ALA 763 N -3.39 1.33 -0.05 0.59 0.00 -0.20 -0.36 121.76 119.69 1gxr s ALA 763 Ca 0.16 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1gxr s ALA 763 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1gxr s ALA 763 CO 0.10 0.12 -0.22 0.99 0.00 0.00 0.00 175.76 176.75 1gxr s THR 764 N -1.77 1.80 -0.19 0.00 2.01 -0.15 -0.16 115.64 117.16 1gxr s THR 764 Ca 0.04 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1gxr s THR 764 Cb -0.07 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1gxr s THR 764 CO 0.02 0.51 0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 1gxr s VAL 765 N -0.15 4.26 -0.05 3.82 1.01 0.05 -1.40 120.40 127.94 1gxr s VAL 765 Ca -0.02 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1gxr s VAL 765 Cb -0.12 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1gxr s VAL 765 CO 0.02 0.43 -0.17 -0.31 0.00 0.00 0.00 175.10 175.08 1gxr s TYR 766 N 0.79 2.64 -0.20 5.22 1.51 0.84 -0.62 117.35 127.53 1gxr s TYR 766 Ca 0.01 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 1gxr s TYR 766 Cb -0.14 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1gxr s TYR 766 CO 0.02 0.09 0.26 -2.00 -1.11 0.00 0.00 175.55 172.81 1gxr s GLU 767 N -0.57 4.18 -0.18 -0.62 2.12 0.94 -1.41 118.70 123.17 1gxr s GLU 767 Ca 0.08 -0.02 -0.26 0.00 0.36 0.00 0.00 54.97 55.13 1gxr s GLU 767 Cb -0.11 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1gxr s GLU 767 CO 0.01 0.14 0.89 0.08 -0.54 0.00 0.00 175.26 175.84 1gxr s VAL 768 N 0.79 4.82 -0.29 3.70 1.01 0.27 -0.86 120.40 129.85 1gxr s VAL 768 Ca 0.14 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 1gxr s VAL 768 Cb -0.13 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1gxr s VAL 768 CO 0.04 -0.03 0.24 -0.63 0.00 0.00 0.00 175.10 174.72 1gxr s ILE 769 N 2.41 5.27 -3.00 2.22 -1.09 0.94 -4.91 121.20 123.05 1gxr s ILE 769 Ca 0.40 0.18 0.24 0.00 -2.23 0.00 0.00 60.65 59.24 1gxr s ILE 769 Cb -0.16 -3.61 0.19 0.00 -1.58 0.00 0.00 42.46 37.30 1gxr s ILE 769 CO 0.11 0.17 1.26 -1.22 -1.23 0.00 0.00 174.94 174.04