#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gab s PRO 437 N 0.00 3.85 0.07 5.55 0.02 -1.26 -4.95 135.00 138.28 3gab s PRO 437 Ca 0.00 1.55 -0.33 0.00 0.02 0.00 0.00 61.00 62.24 3gab s PRO 437 Cb 0.00 -2.31 -0.12 0.00 0.02 0.00 0.00 34.50 32.10 3gab s PRO 437 CO 0.00 -0.42 1.78 -0.89 -0.33 0.00 0.00 177.00 177.14 3gab n ILE 438 N -0.60 0.33 -5.21 2.83 5.41 -1.26 -4.97 119.36 115.90 3gab n ILE 438 Ca 0.08 -0.06 -0.31 0.00 1.00 0.00 0.00 62.75 63.46 3gab n ILE 438 Cb 0.50 -1.88 -0.15 0.00 -0.71 0.00 0.00 39.64 37.40 3gab n ILE 438 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3gab s MET 439 N 2.64 2.13 -0.20 0.38 -1.94 -1.26 -4.73 119.30 116.31 3gab s MET 439 Ca 0.84 -0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 53.86 3gab s MET 439 Cb -0.60 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 3gab s MET 439 CO 0.42 0.56 -0.02 0.71 -0.01 0.00 0.00 175.02 176.68 3gab s TYR 440 N -0.65 3.00 0.40 -0.03 2.02 -0.71 -4.89 117.35 116.50 3gab s TYR 440 Ca 0.10 -0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 55.93 3gab s TYR 440 Cb -0.10 -2.08 -0.10 0.00 -0.40 0.00 0.00 41.96 39.28 3gab s TYR 440 CO -0.00 -0.32 1.46 -2.14 -1.57 0.00 0.00 175.55 172.97 3gab s PRO 441 N 1.10 3.95 -0.18 -1.71 0.02 -1.26 -1.39 135.00 135.52 3gab s PRO 441 Ca 0.02 2.51 0.03 0.00 0.02 0.00 0.00 61.00 63.57 3gab s PRO 441 Cb -0.14 -2.85 -0.13 0.00 0.02 0.00 0.00 34.50 31.40 3gab s PRO 441 CO 0.01 -0.64 -0.15 -0.89 -0.33 0.00 0.00 177.00 175.01 3gab n ILE 442 N 0.21 1.07 -3.73 2.83 5.41 0.14 -4.87 119.36 120.42 3gab n ILE 442 Ca 0.02 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3gab n ILE 442 Cb 0.40 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 3gab n ILE 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gab n GLY 443 N 2.55 -1.45 3.49 7.39 0.00 -1.08 -5.02 105.19 111.07 3gab n GLY 443 Ca -0.32 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3gab n GLY 443 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gab s GLN 444 N -1.84 1.79 -0.04 1.61 1.03 -1.26 -0.59 119.66 120.35 3gab s GLN 444 Ca 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 55.36 53.33 3gab s GLN 444 Cb 0.00 -0.77 0.02 0.00 0.03 0.00 0.00 33.01 32.29 3gab s GLN 444 CO 0.00 -0.32 0.10 0.00 -2.54 0.00 0.00 175.29 172.53 3gab s MET 445 N -3.82 0.08 -2.04 9.60 0.23 -0.06 -4.87 119.30 118.42 3gab s MET 445 Ca 0.30 0.21 0.00 0.00 -1.03 0.00 0.00 55.69 55.16 3gab s MET 445 Cb 0.06 -0.05 0.00 0.00 -1.53 0.00 0.00 34.83 33.30 3gab s MET 445 CO 0.14 -0.08 0.00 0.72 -2.03 0.00 0.00 175.02 173.78 3gab n HIS 446 N 3.52 -0.02 -2.08 3.16 8.25 -1.26 -1.72 115.22 125.07 3gab n HIS 446 Ca -0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.12 3gab n HIS 446 Cb 0.56 -3.35 -0.03 0.00 1.12 0.00 0.00 29.99 28.29 3gab n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gab n GLY 447 N -0.30 0.19 0.00 -1.41 0.00 -1.26 -4.75 105.19 97.66 3gab n GLY 447 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3gab n GLY 447 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gab n THR 448 N -3.04 0.00 -4.68 2.61 -2.24 -0.70 -3.94 114.28 102.29 3gab n THR 448 Ca -0.17 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 3gab n THR 448 Cb 0.59 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 3gab n THR 448 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3gab s TYR 449 N -1.52 2.66 -0.06 4.78 2.02 -0.93 -1.09 117.35 123.21 3gab s TYR 449 Ca 0.00 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 3gab s TYR 449 Cb 0.00 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3gab s TYR 449 CO 0.00 0.26 -0.08 0.42 -1.57 0.00 0.00 175.55 174.58 3gab s ILE 450 N -0.89 3.62 -0.11 2.71 1.01 0.93 -0.88 121.20 127.59 3gab s ILE 450 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3gab s ILE 450 Cb -0.11 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3gab s ILE 450 CO 0.05 0.59 -0.17 -0.76 0.00 0.00 0.00 174.94 174.65 3gab s LEU 451 N -0.81 2.50 0.25 2.97 1.43 0.24 -0.12 118.68 125.14 3gab s LEU 451 Ca 0.12 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3gab s LEU 451 Cb -0.11 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3gab s LEU 451 CO 0.01 0.18 0.25 0.00 0.23 0.00 0.00 176.35 177.02 3gab s ALA 452 N 0.27 1.11 0.19 4.21 0.00 -0.28 0.24 121.76 127.51 3gab s ALA 452 Ca -0.12 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 3gab s ALA 452 Cb -0.16 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.32 3gab s ALA 452 CO 0.06 -0.66 0.49 1.14 0.00 0.00 0.00 175.76 176.79 3gab s GLN 453 N -3.85 1.35 0.00 0.00 1.03 -0.49 -0.84 119.66 116.87 3gab s GLN 453 Ca 0.36 -0.91 0.00 0.00 0.04 0.00 0.00 55.36 54.85 3gab s GLN 453 Cb 0.04 0.50 0.00 0.00 0.03 0.00 0.00 33.01 33.58 3gab s GLN 453 CO 0.16 -0.57 0.00 0.27 -2.54 0.00 0.00 175.29 172.62 3gab n ASN 454 N -0.32 0.00 0.17 12.60 0.23 -0.89 -1.73 115.26 125.32 3gab n ASN 454 Ca -0.09 -0.62 0.13 0.00 -0.53 0.00 0.00 54.58 53.47 3gab n ASN 454 Cb 0.62 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.87 3gab n ASN 454 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gab h GLU 455 N 0.00 0.00 0.00 -3.83 9.09 -2.02 -2.44 114.58 115.38 3gab h GLU 455 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.23 3gab h GLU 455 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3gab h GLU 455 CO 0.00 0.00 -0.86 -0.91 0.05 0.00 0.00 179.01 177.29 3gab h ASN 456 N 0.00 0.06 0.00 3.06 2.35 -1.97 -3.44 115.58 115.64 3gab h ASN 456 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3gab h ASN 456 Cb 0.39 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3gab h ASN 456 CO 0.00 0.89 0.00 0.61 -1.65 0.00 0.00 177.43 177.28 3gab n GLY 457 N 0.91 0.28 3.89 2.83 0.00 -0.92 -0.72 105.19 111.47 3gab n GLY 457 Ca -0.01 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3gab n GLY 457 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gab s LEU 458 N 0.00 4.38 -0.07 0.99 2.96 0.51 -2.09 118.68 125.37 3gab s LEU 458 Ca 0.00 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3gab s LEU 458 Cb 0.00 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.26 3gab s LEU 458 CO 0.00 0.31 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.90 3gab s TYR 459 N -1.23 1.50 -0.14 5.38 1.51 -0.02 -0.97 117.35 123.38 3gab s TYR 459 Ca 0.23 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3gab s TYR 459 Cb -0.12 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3gab s TYR 459 CO 0.14 -0.28 -0.12 0.42 -1.11 0.00 0.00 175.55 174.60 3gab s ILE 460 N 0.64 3.15 -0.12 2.71 1.01 0.73 -1.13 121.20 128.19 3gab s ILE 460 Ca -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3gab s ILE 460 Cb -0.16 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3gab s ILE 460 CO 0.04 0.51 -0.17 -0.63 0.00 0.00 0.00 174.94 174.70 3gab s ILE 461 N 0.44 1.62 -0.66 2.92 1.09 0.83 -0.11 121.20 127.34 3gab s ILE 461 Ca -0.09 -0.71 -0.27 0.00 -1.10 0.00 0.00 60.65 58.48 3gab s ILE 461 Cb -0.16 -1.47 -0.00 0.00 -1.06 0.00 0.00 42.46 39.77 3gab s ILE 461 CO 0.05 0.46 1.66 -0.62 -0.10 0.00 0.00 174.94 176.39 3gab s ASP 462 N 0.99 5.58 0.21 3.58 2.15 -0.25 -0.05 116.67 128.87 3gab s ASP 462 Ca -0.06 0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.86 3gab s ASP 462 Cb -0.15 -2.54 0.26 0.00 -0.30 0.00 0.00 42.92 40.20 3gab s ASP 462 CO -0.02 -2.19 1.67 -0.61 -0.17 0.00 0.00 175.17 173.85 3gab h GLN 463 N 13.23 0.13 0.12 4.34 4.15 -1.43 -1.31 115.11 134.33 3gab h GLN 463 Ca -0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 3gab h GLN 463 Cb 1.12 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3gab h GLN 463 CO 1.24 0.08 -0.06 1.25 -1.93 0.00 0.00 178.83 179.42 3gab h HIS 464 N 0.13 -0.14 -0.92 3.99 2.76 -1.90 -1.80 115.15 117.26 3gab h HIS 464 Ca 0.30 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.51 3gab h HIS 464 Cb 0.48 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.43 3gab h HIS 464 CO -0.34 -0.07 0.60 0.00 -1.30 0.00 0.00 177.93 176.81 3gab h ALA 465 N 0.71 1.23 -0.44 5.26 0.00 -1.81 -1.63 119.26 122.59 3gab h ALA 465 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3gab h ALA 465 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3gab h ALA 465 CO 0.03 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.75 3gab h ALA 466 N 1.39 0.59 -0.50 0.00 0.00 -1.03 -0.96 119.26 118.74 3gab h ALA 466 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gab h ALA 466 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gab h ALA 466 CO -0.13 0.35 0.24 1.96 0.00 0.00 0.00 179.25 181.66 3gab h GLN 467 N 0.60 0.71 -0.33 0.00 4.20 -1.04 -1.82 115.11 117.42 3gab h GLN 467 Ca 0.13 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 3gab h GLN 467 Cb 0.45 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3gab h GLN 467 CO 0.02 0.56 -0.36 0.93 -0.67 0.00 0.00 178.83 179.30 3gab h GLU 468 N 0.71 0.83 -0.65 1.46 5.08 -0.84 -1.76 114.58 119.42 3gab h GLU 468 Ca 0.18 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3gab h GLU 468 Cb 0.09 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3gab h GLU 468 CO -0.02 1.09 0.42 -0.09 -1.00 0.00 0.00 179.01 179.40 3gab h ARG 469 N 0.62 0.81 -0.41 2.33 9.65 -0.97 0.15 114.38 126.55 3gab h ARG 469 Ca 0.05 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3gab h ARG 469 Cb 0.95 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 3gab h ARG 469 CO 0.09 0.53 0.19 0.82 2.80 0.00 0.00 179.97 184.41 3gab h ILE 470 N 0.83 1.18 -0.31 1.20 2.04 -1.21 -2.61 117.51 118.63 3gab h ILE 470 Ca 0.25 -0.51 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 3gab h ILE 470 Cb -0.04 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3gab h ILE 470 CO -0.08 0.19 -0.41 0.11 0.00 0.00 0.00 178.15 177.97 3gab h LYS 471 N 0.52 0.82 -0.62 2.37 1.57 -1.11 -3.12 116.57 117.00 3gab h LYS 471 Ca 0.14 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3gab h LYS 471 Cb 0.13 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 3gab h LYS 471 CO -0.02 1.10 0.16 -0.92 -0.57 0.00 0.00 179.45 179.20 3gab h TYR 472 N 0.59 0.26 -0.04 -1.35 3.20 -0.61 -0.40 116.97 118.61 3gab h TYR 472 Ca 0.04 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3gab h TYR 472 Cb 1.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3gab h TYR 472 CO 0.07 -0.01 -0.24 0.93 -1.64 0.00 0.00 178.16 177.28 3gab h GLU 473 N 0.29 0.07 -0.06 1.82 5.08 -1.44 0.52 114.58 120.86 3gab h GLU 473 Ca 0.33 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3gab h GLU 473 Cb 0.48 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gab h GLU 473 CO -0.39 0.30 -0.03 -0.92 -1.00 0.00 0.00 179.01 176.96 3gab h TYR 474 N 0.06 0.16 0.01 4.33 3.20 -1.11 -3.11 116.97 120.51 3gab h TYR 474 Ca 0.01 -0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.63 3gab h TYR 474 Cb 0.45 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3gab h TYR 474 CO 0.00 0.52 -0.91 0.74 -1.64 0.00 0.00 178.16 176.88 3gab h PHE 475 N -0.25 0.35 -0.93 -3.82 0.04 -0.68 -2.27 116.94 109.37 3gab h PHE 475 Ca 0.01 -0.20 0.09 0.00 2.80 0.00 0.00 57.97 60.68 3gab h PHE 475 Cb 0.48 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.53 3gab h PHE 475 CO 0.07 1.02 0.60 -0.09 -0.60 0.00 0.00 178.31 179.31 3gab h ARG 476 N 0.12 0.94 -0.06 1.51 9.65 -0.08 -0.62 114.38 125.84 3gab h ARG 476 Ca -0.05 -0.06 -0.24 0.00 -1.10 0.00 0.00 59.98 58.53 3gab h ARG 476 Cb 1.55 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 29.93 3gab h ARG 476 CO 0.14 0.62 -0.91 1.49 2.80 0.00 0.00 179.97 184.11 3gab h GLU 477 N 0.96 0.68 0.31 0.20 4.81 -1.45 -3.10 114.58 117.00 3gab h GLU 477 Ca 0.42 -0.65 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3gab h GLU 477 Cb 0.35 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3gab h GLU 477 CO -0.18 1.25 -0.17 0.87 -0.73 0.00 0.00 179.01 180.05 3gab h LYS 478 N 0.42 -0.43 0.00 1.92 1.79 -0.83 -2.70 116.57 116.75 3gab h LYS 478 Ca -0.09 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3gab h LYS 478 Cb 1.55 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 3gab h LYS 478 CO 0.18 -0.29 0.00 -0.39 -1.08 0.00 0.00 179.45 177.87 3gab h VAL 479 N -0.45 0.00 0.00 0.50 -1.51 -1.23 -1.52 116.25 112.04 3gab h VAL 479 Ca -0.04 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3gab h VAL 479 Cb 0.36 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3gab h VAL 479 CO 0.05 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 177.62 3gab h GLY 480 N 0.85 0.00 -4.33 5.19 0.00 -1.40 -3.42 103.07 99.96 3gab h GLY 480 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3gab h GLY 480 CO 0.00 0.00 0.81 -0.54 0.00 0.00 0.00 176.54 176.81 3gab s GLU 481 N -3.25 4.23 0.09 4.80 2.02 -0.57 -4.93 118.70 121.09 3gab s GLU 481 Ca 0.07 2.36 -0.12 0.00 0.02 0.00 0.00 54.97 57.30 3gab s GLU 481 Cb 0.06 -3.10 -0.19 0.00 0.10 0.00 0.00 34.13 30.99 3gab s GLU 481 CO 0.66 -0.50 1.24 0.28 0.02 0.00 0.00 175.26 176.95 3gab h VAL 482 N 3.61 1.30 -2.75 2.63 2.07 -1.89 -3.38 116.25 117.85 3gab h VAL 482 Ca -0.45 -2.23 -0.61 0.00 0.82 0.00 0.00 66.70 64.23 3gab h VAL 482 Cb 1.22 2.31 -0.40 0.00 -1.52 0.00 0.00 31.29 32.89 3gab h VAL 482 CO 0.81 0.69 -0.74 1.21 0.02 0.00 0.00 177.57 179.56 3gab n GLU 483 N -3.85 1.20 -0.94 1.57 2.13 -1.26 -5.10 120.64 114.39 3gab n GLU 483 Ca -0.10 -3.97 -0.30 0.00 0.66 0.00 0.00 57.16 53.46 3gab n GLU 483 Cb 0.85 -2.03 0.17 0.00 0.27 0.00 0.00 31.44 30.70 3gab n GLU 483 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3gab s PRO 484 N -0.92 0.80 -0.34 5.31 0.04 -1.26 -4.95 135.00 133.67 3gab s PRO 484 Ca 0.29 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 3gab s PRO 484 Cb 0.00 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.82 3gab s PRO 484 CO -0.18 -2.62 1.10 -2.00 0.04 0.00 0.00 177.00 173.35 3gab s GLU 485 N -4.76 4.00 0.12 4.56 2.12 -1.26 -5.00 118.70 118.49 3gab s GLU 485 Ca 0.65 1.00 -0.16 0.00 0.36 0.00 0.00 54.97 56.83 3gab s GLU 485 Cb -0.21 -3.77 -0.07 0.00 0.26 0.00 0.00 34.13 30.34 3gab s GLU 485 CO 0.59 -0.99 0.55 0.08 -0.54 0.00 0.00 175.26 174.95 3gab s VAL 486 N 3.82 4.83 -0.15 3.70 1.01 -1.26 0.16 120.40 132.50 3gab s VAL 486 Ca 0.46 0.95 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3gab s VAL 486 Cb -0.12 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3gab s VAL 486 CO 0.18 0.35 -0.21 -1.58 0.00 0.00 0.00 175.10 173.84 3gab s GLN 487 N -1.66 3.02 0.02 2.72 0.74 0.13 -4.74 119.66 119.89 3gab s GLN 487 Ca 0.34 -0.84 -0.30 0.00 0.05 0.00 0.00 55.36 54.61 3gab s GLN 487 Cb -0.16 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.42 3gab s GLN 487 CO 0.19 -0.06 1.26 -2.00 -0.55 0.00 0.00 175.29 174.12 3gab s GLU 488 N 0.93 4.37 0.41 1.67 2.12 -1.26 -1.61 118.70 125.33 3gab s GLU 488 Ca -0.04 1.81 -0.24 0.00 0.36 0.00 0.00 54.97 56.85 3gab s GLU 488 Cb -0.15 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 3gab s GLU 488 CO -0.05 -0.39 1.11 -1.64 -0.54 0.00 0.00 175.26 173.75 3gab s MET 489 N 1.68 4.07 -0.02 4.30 -1.94 0.03 -4.96 119.30 122.46 3gab s MET 489 Ca 0.59 1.66 -0.26 0.00 -1.71 0.00 0.00 55.69 55.98 3gab s MET 489 Cb -0.29 -2.58 -0.20 0.00 2.01 0.00 0.00 34.83 33.77 3gab s MET 489 CO 0.27 -0.26 1.26 0.82 -0.01 0.00 0.00 175.02 177.10 3gab h ILE 490 N 2.20 1.39 -3.48 2.53 5.03 -1.94 -3.39 117.51 119.84 3gab h ILE 490 Ca -0.49 -1.18 -0.70 0.00 -0.12 0.00 0.00 64.86 62.38 3gab h ILE 490 Cb 1.23 2.17 -0.33 0.00 -3.03 0.00 0.00 36.82 36.86 3gab h ILE 490 CO 0.62 0.31 -0.53 -0.69 -0.68 0.00 0.00 178.15 177.18 3gab s VAL 491 N -4.22 3.49 0.89 1.67 1.01 -1.26 -5.10 120.40 116.88 3gab s VAL 491 Ca -0.16 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 59.83 3gab s VAL 491 Cb 0.02 -3.32 0.12 0.00 0.00 0.00 0.00 36.38 33.21 3gab s VAL 491 CO 0.68 -0.63 1.11 -0.81 0.00 0.00 0.00 175.10 175.46 3gab n PRO 492 N 4.68 -0.28 -4.25 2.72 -0.04 -1.26 -5.03 135.00 131.54 3gab n PRO 492 Ca -0.05 -0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 3gab n PRO 492 Cb 0.42 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.42 3gab n PRO 492 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gab s LEU 493 N -5.99 3.24 -0.06 1.53 1.43 -0.11 -4.96 118.68 113.76 3gab s LEU 493 Ca 0.68 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3gab s LEU 493 Cb -0.25 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3gab s LEU 493 CO 0.57 0.21 -0.21 -0.89 0.23 0.00 0.00 176.35 176.25 3gab s THR 494 N -1.19 1.76 -0.02 5.49 2.01 -1.26 -1.01 115.64 121.43 3gab s THR 494 Ca 0.22 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.38 3gab s THR 494 Cb -0.11 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 3gab s THR 494 CO 0.14 0.50 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.01 3gab s PHE 495 N 0.07 1.75 -0.10 4.92 0.08 0.81 -5.00 117.98 120.51 3gab s PHE 495 Ca -0.07 -0.37 0.04 0.00 0.12 0.00 0.00 56.93 56.64 3gab s PHE 495 Cb -0.14 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 3gab s PHE 495 CO 0.04 -0.06 -0.22 -1.01 -0.10 0.00 0.00 175.22 173.87 3gab s HIS 496 N -0.35 2.44 0.16 0.36 3.76 -1.26 -0.63 115.29 119.77 3gab s HIS 496 Ca 0.05 -1.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.01 3gab s HIS 496 Cb -0.08 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 3gab s HIS 496 CO -0.00 -0.42 -0.15 0.71 -0.85 0.00 0.00 174.74 174.02 3gab s TYR 497 N 0.43 1.62 1.06 1.40 2.02 0.51 -5.02 117.35 119.36 3gab s TYR 497 Ca -0.17 -0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 55.86 3gab s TYR 497 Cb -0.17 -0.80 0.22 0.00 -0.40 0.00 0.00 41.96 40.81 3gab s TYR 497 CO 0.07 0.26 1.07 -1.54 -1.57 0.00 0.00 175.55 173.84 3gab s SER 498 N -2.84 1.96 0.16 2.29 1.04 -1.26 -4.72 113.70 110.33 3gab s SER 498 Ca 0.16 1.46 -0.15 0.00 0.48 0.00 0.00 55.95 57.90 3gab s SER 498 Cb -0.03 -2.17 0.08 0.00 0.10 0.00 0.00 66.02 63.99 3gab s SER 498 CO 0.05 -3.58 1.77 0.74 0.98 0.00 0.00 173.24 173.20 3gab h THR 499 N -2.20 0.94 0.00 2.02 2.02 -1.99 -1.61 112.91 112.09 3gab h THR 499 Ca -0.56 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 3gab h THR 499 Cb 1.32 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3gab h THR 499 CO 0.52 0.07 -0.68 0.78 0.37 0.00 0.00 175.52 176.58 3gab h ASN 500 N 0.36 0.00 0.12 4.18 2.35 -2.00 -2.87 115.58 117.72 3gab h ASN 500 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3gab h ASN 500 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3gab h ASN 500 CO -0.15 0.68 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.93 3gab h GLU 501 N 0.00 -0.15 -0.97 0.81 5.08 -1.85 -2.88 114.58 114.62 3gab h GLU 501 Ca -0.01 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 3gab h GLU 501 Cb 1.23 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 3gab h GLU 501 CO 0.09 0.13 0.61 0.00 -1.00 0.00 0.00 179.01 178.84 3gab h ALA 502 N 0.39 1.77 -0.19 3.43 0.00 -1.29 -1.56 119.26 121.81 3gab h ALA 502 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gab h ALA 502 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gab h ALA 502 CO 0.03 -0.09 0.11 -0.07 0.00 0.00 0.00 179.25 179.23 3gab h LEU 503 N 0.73 0.18 -0.70 0.00 3.38 -1.35 -0.97 115.31 116.58 3gab h LEU 503 Ca 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 3gab h LEU 503 Cb 0.85 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3gab h LEU 503 CO -0.29 0.13 0.39 0.40 0.09 0.00 0.00 178.44 179.17 3gab h ILE 504 N 0.23 1.21 -0.95 1.22 2.04 -1.11 -2.55 117.51 117.61 3gab h ILE 504 Ca 0.08 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3gab h ILE 504 Cb -0.00 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 3gab h ILE 504 CO -0.04 0.23 0.62 0.40 0.00 0.00 0.00 178.15 179.36 3gab h ILE 505 N 0.97 1.16 0.00 -0.67 2.04 -0.89 -1.70 117.51 118.42 3gab h ILE 505 Ca 0.25 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3gab h ILE 505 Cb 0.02 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 3gab h ILE 505 CO -0.04 0.22 -0.20 -0.08 0.00 0.00 0.00 178.15 178.05 3gab h GLU 506 N 1.20 0.00 -0.00 2.37 4.57 -0.78 -1.43 114.58 120.51 3gab h GLU 506 Ca 0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3gab h GLU 506 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3gab h GLU 506 CO -0.12 0.20 -0.14 1.04 -1.18 0.00 0.00 179.01 178.80 3gab n GLN 507 N -4.07 0.17 -1.16 1.92 6.02 -0.66 -3.92 117.38 115.68 3gab n GLN 507 Ca -0.02 -0.04 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 3gab n GLN 507 Cb 0.27 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.16 3gab n GLN 507 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3gab n HIS 508 N -1.38 0.42 -0.21 1.08 8.25 -0.55 -4.83 115.22 118.01 3gab n HIS 508 Ca 0.09 -1.37 -0.07 0.00 -0.26 0.00 0.00 57.72 56.11 3gab n HIS 508 Cb 0.32 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3gab n HIS 508 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3gab h LYS 509 N 1.25 0.86 -0.25 -0.41 1.79 -1.64 -1.44 116.57 116.72 3gab h LYS 509 Ca -0.02 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 3gab h LYS 509 Cb 1.32 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 3gab h LYS 509 CO 0.13 0.69 -0.43 1.96 -1.08 0.00 0.00 179.45 180.72 3gab h GLN 510 N 0.81 0.63 -0.18 3.15 1.08 -1.91 -2.28 115.11 116.41 3gab h GLN 510 Ca 0.20 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3gab h GLN 510 Cb 0.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3gab h GLN 510 CO -0.03 0.94 0.05 0.93 -0.95 0.00 0.00 178.83 179.77 3gab h GLU 511 N 0.51 0.28 -0.90 1.46 3.07 -1.88 -2.33 114.58 114.79 3gab h GLU 511 Ca 0.04 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3gab h GLU 511 Cb 0.96 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.79 3gab h GLU 511 CO 0.09 0.42 0.52 -0.07 -1.40 0.00 0.00 179.01 178.57 3gab h LEU 512 N 0.10 1.09 -1.14 1.33 3.38 -1.20 -2.28 115.31 116.59 3gab h LEU 512 Ca 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3gab h LEU 512 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gab h LEU 512 CO 0.00 0.85 -0.16 -0.33 0.09 0.00 0.00 178.44 178.90 3gab h GLU 513 N 1.25 0.41 0.00 1.13 5.08 -1.25 0.87 114.58 122.07 3gab h GLU 513 Ca 0.32 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3gab h GLU 513 Cb -0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gab h GLU 513 CO -0.06 0.57 -0.12 0.66 -1.00 0.00 0.00 179.01 179.06 3gab h SER 514 N 0.38 0.00 -0.48 1.42 4.64 -0.84 -1.49 113.55 117.19 3gab h SER 514 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gab h SER 514 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3gab h SER 514 CO 0.03 0.12 0.00 1.33 -0.87 0.00 0.00 176.83 177.44 3gab n VAL 515 N -3.80 1.99 -0.62 0.95 0.24 -1.03 -4.69 118.33 111.38 3gab n VAL 515 Ca -0.02 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 3gab n VAL 515 Cb 0.22 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3gab n VAL 515 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gab n GLY 516 N 0.49 0.65 3.40 7.63 0.00 -0.56 -5.00 105.19 111.81 3gab n GLY 516 Ca 0.23 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3gab n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gab s VAL 517 N -2.00 5.20 -1.06 1.61 1.01 0.27 -4.42 120.40 121.01 3gab s VAL 517 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 3gab s VAL 517 Cb 0.00 -4.12 0.26 0.00 0.00 0.00 0.00 36.38 32.52 3gab s VAL 517 CO 0.00 -0.57 1.04 0.49 0.00 0.00 0.00 175.10 176.05 3gab n PHE 518 N 5.30 4.98 -2.74 5.22 3.72 -1.26 -2.83 117.46 129.84 3gab n PHE 518 Ca -0.12 -3.96 -0.42 0.00 -0.05 0.00 0.00 57.45 52.90 3gab n PHE 518 Cb 0.44 -1.55 -0.03 0.00 -0.94 0.00 0.00 39.48 37.40 3gab n PHE 518 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gab s LEU 519 N -1.34 4.28 -0.11 4.37 1.43 -1.26 -4.50 118.68 121.54 3gab s LEU 519 Ca 0.30 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3gab s LEU 519 Cb -0.09 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 3gab s LEU 519 CO -0.09 -0.37 -0.11 -1.61 0.23 0.00 0.00 176.35 174.40 3gab s GLU 520 N 1.67 3.15 0.18 1.70 2.02 0.08 -4.95 118.70 122.57 3gab s GLU 520 Ca 0.47 -0.65 -0.32 0.00 0.02 0.00 0.00 54.97 54.50 3gab s GLU 520 Cb -0.19 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.32 3gab s GLU 520 CO 0.20 0.36 1.63 -1.54 0.02 0.00 0.00 175.26 175.93 3gab s SER 521 N -0.03 6.50 -0.45 -0.19 1.04 -1.26 -0.38 113.70 118.93 3gab s SER 521 Ca -0.02 2.72 0.08 0.00 0.48 0.00 0.00 55.95 59.20 3gab s SER 521 Cb -0.14 -2.60 0.25 0.00 0.10 0.00 0.00 66.02 63.64 3gab s SER 521 CO 0.04 -0.88 0.59 0.33 0.98 0.00 0.00 173.24 174.29 3gab n PHE 522 N 3.97 0.62 -0.73 5.02 7.35 -0.33 -4.81 117.46 128.55 3gab n PHE 522 Ca 0.15 -3.71 0.00 0.00 -0.76 0.00 0.00 57.45 53.13 3gab n PHE 522 Cb 0.37 -0.40 0.00 0.00 0.35 0.00 0.00 39.48 39.80 3gab n PHE 522 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gab n GLY 523 N 1.22 -2.80 3.70 7.13 0.00 -1.26 -4.35 105.19 108.84 3gab n GLY 523 Ca 0.23 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3gab n GLY 523 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gab s SER 524 N -2.19 7.30 -0.18 1.61 1.04 -1.26 -3.52 113.70 116.51 3gab s SER 524 Ca 0.00 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.11 3gab s SER 524 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3gab s SER 524 CO 0.00 -0.33 0.00 0.59 0.98 0.00 0.00 173.24 174.48 3gab n ASN 525 N 4.17 -5.01 -4.23 7.02 5.03 -1.26 -4.96 115.26 116.01 3gab n ASN 525 Ca 0.07 0.04 -0.22 0.00 0.87 0.00 0.00 54.58 55.35 3gab n ASN 525 Cb 0.50 -2.66 -0.12 0.00 -1.02 0.00 0.00 39.78 36.48 3gab n ASN 525 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3gab s SER 526 N -2.10 2.15 0.06 6.41 0.01 -1.23 -0.37 113.70 118.64 3gab s SER 526 Ca 0.00 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 3gab s SER 526 Cb 0.00 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 3gab s SER 526 CO 0.00 0.00 -0.03 -0.31 0.41 0.00 0.00 173.24 173.31 3gab s TYR 527 N -1.19 0.58 0.14 2.43 1.51 0.20 -1.18 117.35 119.84 3gab s TYR 527 Ca 0.03 -1.06 0.06 0.00 -1.01 0.00 0.00 57.07 55.09 3gab s TYR 527 Cb -0.10 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 3gab s TYR 527 CO 0.03 -0.36 -0.14 0.96 -1.11 0.00 0.00 175.55 174.94 3gab s ILE 528 N -3.89 1.39 -0.11 2.71 -4.36 0.49 -0.13 121.20 117.30 3gab s ILE 528 Ca 0.08 -1.84 -0.01 0.00 -0.26 0.00 0.00 60.65 58.63 3gab s ILE 528 Cb 0.08 -1.66 0.03 0.00 1.25 0.00 0.00 42.46 42.15 3gab s ILE 528 CO -0.09 -0.48 -0.05 -0.69 0.24 0.00 0.00 174.94 173.87 3gab s VAL 529 N -2.40 0.88 -0.73 8.37 1.01 -0.18 -0.74 120.40 126.60 3gab s VAL 529 Ca 0.12 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 61.98 3gab s VAL 529 Cb -0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3gab s VAL 529 CO 0.03 0.31 0.57 0.54 0.00 0.00 0.00 175.10 176.55 3gab n ARG 530 N 4.99 2.77 -3.79 2.72 1.74 -1.26 -0.93 116.66 122.89 3gab n ARG 530 Ca -0.11 -0.22 -0.08 0.00 -0.77 0.00 0.00 57.85 56.66 3gab n ARG 530 Cb 0.50 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.83 3gab n ARG 530 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gab s HIS 532 N -3.90 -0.39 0.35 0.00 -3.43 -0.63 -4.58 115.29 102.71 3gab s HIS 532 Ca 0.11 0.13 -0.28 0.00 -0.80 0.00 0.00 55.06 54.21 3gab s HIS 532 Cb -0.04 0.49 -0.12 0.00 -1.43 0.00 0.00 32.58 31.49 3gab s HIS 532 CO 0.03 -0.86 1.44 -2.30 -2.00 0.00 0.00 174.74 171.05 3gab n PRO 533 N -0.35 2.49 0.05 -0.38 -0.02 -1.26 0.18 135.00 135.71 3gab n PRO 533 Ca -0.15 0.87 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 3gab n PRO 533 Cb 0.64 -2.56 0.65 0.00 -0.02 0.00 0.00 33.50 32.20 3gab n PRO 533 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gab h ALA 534 N 3.09 2.30 -0.00 3.55 0.00 -0.58 -2.35 119.26 125.26 3gab h ALA 534 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gab h ALA 534 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gab h ALA 534 CO 0.66 -0.41 -0.04 -2.67 0.00 0.00 0.00 179.25 176.79 3gab n TRP 535 N -4.43 0.00 -1.58 0.00 4.27 -1.26 -4.85 117.44 109.59 3gab n TRP 535 Ca 0.07 0.00 -0.45 0.00 -3.89 0.00 0.00 57.50 53.23 3gab n TRP 535 Cb 0.44 -0.43 -0.02 0.00 -1.36 0.00 0.00 31.31 29.94 3gab n TRP 535 CO 0.00 0.00 0.00 1.19 -2.29 0.00 0.00 177.69 176.59 3gab n PHE 536 N -1.44 1.23 -1.47 -2.67 3.01 -0.89 -4.79 117.46 110.45 3gab n PHE 536 Ca 0.09 0.71 -0.48 0.00 1.01 0.00 0.00 57.45 58.77 3gab n PHE 536 Cb 0.32 -2.25 -0.07 0.00 -0.01 0.00 0.00 39.48 37.47 3gab n PHE 536 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3gab n PRO 537 N 0.89 1.15 -1.63 -1.08 -0.02 -1.26 -4.85 135.00 128.20 3gab n PRO 537 Ca 0.11 0.30 -0.50 0.00 -2.02 0.00 0.00 63.50 61.38 3gab n PRO 537 Cb 0.31 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.15 3gab n PRO 537 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gab n LYS 538 N 8.34 1.61 -0.42 -0.52 4.76 -1.26 -1.58 118.16 129.08 3gab n LYS 538 Ca 0.40 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 3gab n LYS 538 Cb 0.27 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 3gab n LYS 538 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gab n GLY 539 N 3.09 1.23 0.02 0.72 0.00 -1.26 -4.83 105.19 104.15 3gab n GLY 539 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3gab n GLY 539 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gab n GLU 540 N -2.00 1.97 0.18 1.61 1.02 -0.61 -4.83 120.64 117.98 3gab n GLU 540 Ca 0.00 -1.28 -0.15 0.00 -0.02 0.00 0.00 57.16 55.71 3gab n GLU 540 Cb 0.00 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.46 3gab n GLU 540 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gab h GLU 541 N 0.00 -0.39 -0.71 3.49 3.07 -1.88 0.96 114.58 119.12 3gab h GLU 541 Ca 0.00 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.02 3gab h GLU 541 Cb 0.70 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 28.60 3gab h GLU 541 CO 0.00 -0.24 0.24 0.00 -1.40 0.00 0.00 179.01 177.61 3gab h ALA 542 N 0.28 0.96 -0.26 3.43 0.00 -1.94 0.48 119.26 122.21 3gab h ALA 542 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3gab h ALA 542 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gab h ALA 542 CO 0.07 -0.24 -0.12 0.93 0.00 0.00 0.00 179.25 179.88 3gab h GLU 543 N 0.38 0.55 -0.90 0.00 5.08 -1.85 -2.71 114.58 115.12 3gab h GLU 543 Ca 0.39 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3gab h GLU 543 Cb 0.59 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3gab h GLU 543 CO -0.41 0.79 0.59 1.25 -1.00 0.00 0.00 179.01 180.24 3gab h LEU 544 N 0.28 1.01 0.15 1.33 5.85 0.04 0.19 115.31 124.16 3gab h LEU 544 Ca 0.06 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gab h LEU 544 Cb 0.63 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3gab h LEU 544 CO 0.04 0.72 -0.07 0.40 -0.34 0.00 0.00 178.44 179.19 3gab h ILE 545 N 1.19 0.93 -0.71 4.05 2.04 -0.93 0.50 117.51 124.59 3gab h ILE 545 Ca 0.34 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.92 3gab h ILE 545 Cb -0.10 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3gab h ILE 545 CO -0.08 0.09 0.35 -0.33 0.00 0.00 0.00 178.15 178.17 3gab h GLU 546 N -0.38 0.57 -0.57 2.37 5.08 -1.27 -0.90 114.58 119.48 3gab h GLU 546 Ca -0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3gab h GLU 546 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gab h GLU 546 CO 0.03 0.38 0.06 1.49 -1.00 0.00 0.00 179.01 179.98 3gab h GLU 547 N 0.59 0.93 -0.09 2.33 4.81 -0.63 -0.26 114.58 122.26 3gab h GLU 547 Ca 0.35 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3gab h GLU 547 Cb 0.37 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3gab h GLU 547 CO -0.27 0.88 -0.06 0.82 -0.73 0.00 0.00 179.01 179.65 3gab h ILE 548 N 0.87 1.34 -0.61 2.32 2.04 -0.44 -2.43 117.51 120.60 3gab h ILE 548 Ca 0.17 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.93 3gab h ILE 548 Cb 0.43 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 3gab h ILE 548 CO 0.01 0.32 0.37 0.40 0.00 0.00 0.00 178.15 179.26 3gab h ILE 549 N -0.18 1.08 -0.77 -0.67 2.04 -1.04 -2.11 117.51 115.86 3gab h ILE 549 Ca 0.02 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.66 3gab h ILE 549 Cb 0.53 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3gab h ILE 549 CO 0.02 0.14 0.51 -0.61 0.00 0.00 0.00 178.15 178.20 3gab h GLN 550 N 0.74 0.90 -0.01 2.37 5.75 -1.03 -1.18 115.11 122.65 3gab h GLN 550 Ca 0.24 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3gab h GLN 550 Cb 0.01 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 3gab h GLN 550 CO -0.10 0.59 -0.20 0.37 -2.65 0.00 0.00 178.83 176.85 3gab h GLN 551 N 0.92 0.02 -0.03 1.69 5.75 -0.87 0.99 115.11 123.58 3gab h GLN 551 Ca 0.31 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.73 3gab h GLN 551 Cb 0.09 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3gab h GLN 551 CO -0.09 0.22 -0.28 0.28 -2.65 0.00 0.00 178.83 176.31 3gab h VAL 552 N 0.02 1.49 -0.45 2.39 2.07 -0.98 -2.05 116.25 118.74 3gab h VAL 552 Ca 0.00 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.74 3gab h VAL 552 Cb 0.36 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 3gab h VAL 552 CO 0.03 0.51 0.22 -0.07 0.02 0.00 0.00 177.57 178.27 3gab h LEU 553 N -0.35 0.30 -1.33 2.57 3.38 -1.00 0.12 115.31 119.00 3gab h LEU 553 Ca -0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gab h LEU 553 Cb 0.98 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3gab h LEU 553 CO 0.06 0.22 -0.08 0.44 0.09 0.00 0.00 178.44 179.16 3gab h ASP 554 N 0.43 0.33 1.61 -0.43 3.32 -0.87 -2.61 116.42 118.20 3gab h ASP 554 Ca 0.20 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3gab h ASP 554 Cb 0.12 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3gab h ASP 554 CO -0.15 0.45 -0.40 0.28 -1.72 0.00 0.00 179.24 177.71 3gab h SER 555 N 0.34 0.00 0.00 6.45 0.02 -0.63 -3.47 113.55 116.26 3gab h SER 555 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3gab h SER 555 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3gab h SER 555 CO 0.02 0.30 0.00 0.29 -1.14 0.00 0.00 176.83 176.30 3gab n LYS 556 N -3.13 0.00 -3.76 3.45 4.76 0.34 -4.67 118.16 115.15 3gab n LYS 556 Ca 0.02 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 3gab n LYS 556 Cb 0.66 -0.17 -0.15 0.00 -1.84 0.00 0.00 35.03 33.53 3gab n LYS 556 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3gab s ASN 557 N 0.00 -0.04 -0.27 4.39 0.01 -1.26 -4.96 114.94 112.81 3gab s ASN 557 Ca 0.00 0.19 -0.25 0.00 -0.71 0.00 0.00 52.86 52.09 3gab s ASN 557 Cb 0.00 0.08 0.09 0.00 0.41 0.00 0.00 41.25 41.84 3gab s ASN 557 CO 0.00 -0.13 0.86 -0.51 -1.51 0.00 0.00 177.10 175.81 3gab s ILE 558 N 1.06 0.00 0.45 0.60 2.07 -1.26 -5.12 121.20 119.00 3gab s ILE 558 Ca -0.08 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.21 3gab s ILE 558 Cb -0.11 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.49 3gab s ILE 558 CO -0.04 0.00 0.63 1.51 -1.91 0.00 0.00 174.94 175.12 3gab s ASP 559 N 0.28 5.57 0.27 4.50 1.47 -1.26 -4.91 116.67 122.58 3gab s ASP 559 Ca 0.01 -0.25 -0.01 0.00 1.18 0.00 0.00 52.55 53.48 3gab s ASP 559 Cb -0.05 -0.80 0.45 0.00 -0.34 0.00 0.00 42.92 42.19 3gab s ASP 559 CO -0.02 -0.85 1.86 0.40 0.68 0.00 0.00 175.17 177.24 3gab h ILE 560 N 0.48 1.03 -0.18 2.11 2.04 -1.96 -0.86 117.51 120.16 3gab h ILE 560 Ca -0.41 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3gab h ILE 560 Cb 1.28 -0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3gab h ILE 560 CO 0.48 0.20 -0.32 0.50 0.00 0.00 0.00 178.15 179.01 3gab h LYS 561 N 1.11 -0.35 0.06 2.37 1.63 -1.99 -0.70 116.57 118.69 3gab h LYS 561 Ca 0.45 0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 60.03 3gab h LYS 561 Cb 0.28 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3gab h LYS 561 CO -0.21 -0.24 -1.07 -0.22 -3.45 0.00 0.00 179.45 174.27 3gab h LYS 562 N -0.37 0.38 -0.59 1.90 3.64 -1.83 -2.98 116.57 116.73 3gab h LYS 562 Ca 0.11 -0.48 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3gab h LYS 562 Cb 0.54 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3gab h LYS 562 CO -0.38 1.17 0.14 1.25 -2.27 0.00 0.00 179.45 179.35 3gab h LEU 563 N 0.18 0.87 -0.80 5.20 5.85 -1.05 0.71 115.31 126.26 3gab h LEU 563 Ca -0.11 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 3gab h LEU 563 Cb 1.74 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 3gab h LEU 563 CO 0.18 0.84 0.22 0.03 -0.34 0.00 0.00 178.44 179.38 3gab h ARG 564 N 0.88 1.12 -0.59 1.25 3.08 -1.14 0.12 114.38 119.10 3gab h ARG 564 Ca 0.19 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3gab h ARG 564 Cb 0.32 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3gab h ARG 564 CO -0.00 0.96 0.04 1.49 -1.07 0.00 0.00 179.97 181.39 3gab h GLU 565 N 1.08 1.02 -0.22 0.04 4.22 -1.25 -1.22 114.58 118.24 3gab h GLU 565 Ca 0.23 -0.30 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 3gab h GLU 565 Cb 0.31 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gab h GLU 565 CO -0.01 0.98 -0.29 0.93 -2.18 0.00 0.00 179.01 178.45 3gab h GLU 566 N 0.91 0.58 -0.59 1.92 4.39 -0.58 -2.89 114.58 118.32 3gab h GLU 566 Ca 0.17 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3gab h GLU 566 Cb 0.50 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3gab h GLU 566 CO 0.02 0.94 0.03 0.00 -1.16 0.00 0.00 179.01 178.84 3gab h ALA 567 N 0.64 0.94 -0.48 3.43 0.00 -0.75 -1.77 119.26 121.27 3gab h ALA 567 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3gab h ALA 567 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gab h ALA 567 CO 0.07 0.64 0.10 0.00 0.00 0.00 0.00 179.25 180.06 3gab h ALA 568 N 1.10 1.27 -0.14 0.00 0.00 -1.24 -1.62 119.26 118.63 3gab h ALA 568 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gab h ALA 568 Cb 0.49 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gab h ALA 568 CO 0.02 0.50 -0.04 0.82 0.00 0.00 0.00 179.25 180.56 3gab h ILE 569 N 0.71 1.29 -0.72 0.00 2.04 -1.26 -2.34 117.51 117.23 3gab h ILE 569 Ca 0.16 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3gab h ILE 569 Cb 0.29 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3gab h ILE 569 CO 0.00 0.29 0.47 0.24 0.00 0.00 0.00 178.15 179.15 3gab h MET 570 N -0.03 0.74 -0.24 2.37 2.86 -0.98 -1.90 114.93 117.75 3gab h MET 570 Ca 0.04 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 3gab h MET 570 Cb 0.46 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3gab h MET 570 CO 0.01 0.49 -0.50 0.52 1.06 0.00 0.00 176.91 178.50 3gab h MET 571 N 0.77 0.67 0.00 1.72 2.86 -1.21 -3.15 114.93 116.59 3gab h MET 571 Ca 0.31 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3gab h MET 571 Cb 0.23 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3gab h MET 571 CO -0.10 1.01 0.00 -1.13 1.06 0.00 0.00 176.91 177.75 3gab n SER 572 N -3.99 0.00 -0.01 1.22 3.41 -0.73 -2.38 113.62 111.14 3gab n SER 572 Ca -0.03 -0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.42 3gab n SER 572 Cb 0.58 -0.20 -0.16 0.00 -0.26 0.00 0.00 64.21 64.17 3gab n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gab n LYS 574 N -2.21 0.79 -0.92 0.00 4.76 -1.00 -5.14 118.16 114.43 3gab n LYS 574 Ca -0.04 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.48 3gab n LYS 574 Cb 0.54 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3gab n LYS 574 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gab n ASN 580 N 5.08 -2.76 -4.84 4.39 3.02 -1.25 -5.06 115.26 113.84 3gab n ASN 580 Ca 0.21 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.39 3gab n ASN 580 Cb 0.09 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 3gab n ASN 580 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3gab s ARG 581 N -0.36 3.99 0.03 3.52 3.52 -1.26 -4.85 118.95 123.55 3gab s ARG 581 Ca 0.00 0.49 -0.12 0.00 -0.13 0.00 0.00 55.73 55.97 3gab s ARG 581 Cb 0.00 -3.07 -0.06 0.00 -1.56 0.00 0.00 34.95 30.26 3gab s ARG 581 CO 0.00 0.57 0.39 -1.01 -0.81 0.00 0.00 175.30 174.45 3gab s HIS 582 N -1.29 3.65 -0.02 5.12 3.76 -1.26 -4.74 115.29 120.51 3gab s HIS 582 Ca 0.32 0.88 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 3gab s HIS 582 Cb -0.16 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.30 3gab s HIS 582 CO 0.18 0.59 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.94 3gab s LEU 583 N -1.47 2.04 0.65 0.89 1.43 -1.26 -5.13 118.68 115.83 3gab s LEU 583 Ca 0.28 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 3gab s LEU 583 Cb -0.15 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 3gab s LEU 583 CO 0.15 0.25 1.05 -0.13 0.23 0.00 0.00 176.35 177.90 3gab s ARG 584 N -0.46 3.14 0.67 1.70 0.52 -1.26 -4.80 118.95 118.46 3gab s ARG 584 Ca 0.07 1.01 0.34 0.00 -0.52 0.00 0.00 55.73 56.64 3gab s ARG 584 Cb -0.08 -2.02 1.87 0.00 0.52 0.00 0.00 34.95 35.25 3gab s ARG 584 CO -0.01 -0.94 2.06 -0.91 0.02 0.00 0.00 175.30 175.52 3gab h ASN 585 N -0.28 0.00 0.18 0.23 4.21 -1.99 0.80 115.58 118.73 3gab h ASN 585 Ca -0.45 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 56.82 3gab h ASN 585 Cb 1.21 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.44 3gab h ASN 585 CO 0.57 0.00 -1.05 -2.24 -1.29 0.00 0.00 177.43 173.43 3gab h ASP 586 N 0.00 0.61 -0.60 5.81 2.03 -2.00 -2.70 116.42 119.58 3gab h ASP 586 Ca 0.00 -0.93 -0.02 0.00 -0.73 0.00 0.00 57.03 55.35 3gab h ASP 586 Cb 0.47 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 38.74 3gab h ASP 586 CO -0.00 1.50 0.32 -0.33 -1.03 0.00 0.00 179.24 179.71 3gab h GLU 587 N -0.17 0.86 -0.34 4.15 5.08 -1.26 -1.79 114.58 121.12 3gab h GLU 587 Ca -0.18 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3gab h GLU 587 Cb 1.82 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3gab h GLU 587 CO 0.20 0.65 0.11 0.82 -1.00 0.00 0.00 179.01 179.79 3gab h ILE 588 N 0.87 1.20 -0.36 3.13 2.04 -1.25 -1.27 117.51 121.88 3gab h ILE 588 Ca 0.22 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.48 3gab h ILE 588 Cb 0.05 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3gab h ILE 588 CO -0.03 0.23 0.06 0.50 0.00 0.00 0.00 178.15 178.90 3gab h LYS 589 N 0.39 0.17 -0.78 2.37 3.64 -1.13 0.11 116.57 121.34 3gab h LYS 589 Ca 0.11 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3gab h LYS 589 Cb 0.24 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 3gab h LYS 589 CO -0.00 0.12 0.47 0.00 -2.27 0.00 0.00 179.45 177.76 3gab h ALA 590 N 1.27 1.06 -0.23 5.00 0.00 -1.10 0.72 119.26 125.98 3gab h ALA 590 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gab h ALA 590 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gab h ALA 590 CO -0.23 0.20 -0.02 1.25 0.00 0.00 0.00 179.25 180.45 3gab h LEU 591 N 0.87 0.42 -0.34 0.00 6.46 -0.47 -0.64 115.31 121.62 3gab h LEU 591 Ca 0.34 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3gab h LEU 591 Cb 0.16 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3gab h LEU 591 CO -0.17 0.65 0.20 -0.07 -0.62 0.00 0.00 178.44 178.44 3gab h LEU 592 N 0.18 0.40 -0.26 2.25 3.38 -0.40 0.13 115.31 120.98 3gab h LEU 592 Ca 0.06 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3gab h LEU 592 Cb 0.45 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3gab h LEU 592 CO 0.02 0.33 0.05 0.44 0.09 0.00 0.00 178.44 179.37 3gab h ASP 593 N 0.44 0.02 -1.01 -0.43 3.32 -0.81 -0.40 116.42 117.55 3gab h ASP 593 Ca 0.12 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3gab h ASP 593 Cb 0.00 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 3gab h ASP 593 CO -0.02 0.04 0.66 0.44 -1.72 0.00 0.00 179.24 178.64 3gab h ASP 594 N 0.15 1.13 -0.29 6.45 3.32 -0.77 -2.42 116.42 123.99 3gab h ASP 594 Ca 0.12 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3gab h ASP 594 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3gab h ASP 594 CO -0.16 0.80 -0.21 0.25 -1.72 0.00 0.00 179.24 178.20 3gab h LEU 595 N 1.33 0.78 -1.92 1.55 5.85 -0.49 -3.02 115.31 119.38 3gab h LEU 595 Ca 0.38 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3gab h LEU 595 Cb -0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 3gab h LEU 595 CO -0.10 0.97 0.25 -0.09 -0.34 0.00 0.00 178.44 179.14 3gab h ARG 596 N 0.67 0.09 -0.01 1.25 2.43 -0.57 -2.40 114.38 115.83 3gab h ARG 596 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3gab h ARG 596 Cb 0.72 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3gab h ARG 596 CO 0.06 0.06 -0.14 0.43 -1.51 0.00 0.00 179.97 178.86 3gab n SER 597 N -4.45 1.53 -4.80 -3.80 7.64 -1.14 -4.51 113.62 104.08 3gab n SER 597 Ca 0.05 -1.32 -0.32 0.00 1.01 0.00 0.00 58.87 58.29 3gab n SER 597 Cb 0.38 0.10 0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3gab n SER 597 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gab s THR 598 N -2.24 3.72 0.56 0.44 -4.23 -0.91 -4.93 115.64 108.06 3gab s THR 598 Ca 0.30 0.74 0.25 0.00 -1.18 0.00 0.00 61.69 61.80 3gab s THR 598 Cb 0.20 -3.30 0.32 0.00 1.34 0.00 0.00 72.50 71.06 3gab s THR 598 CO 0.42 -0.55 2.21 0.28 -0.54 0.00 0.00 174.62 176.44 3gab h SER 599 N 0.03 0.00 -1.99 3.99 0.02 -1.92 -3.36 113.55 110.33 3gab h SER 599 Ca -0.46 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.12 3gab h SER 599 Cb 1.22 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.45 3gab h SER 599 CO 0.56 0.01 -0.69 -0.62 -1.14 0.00 0.00 176.83 174.95 3gab s ASP 600 N -6.46 1.27 0.00 3.07 2.15 -1.26 -5.02 116.67 110.42 3gab s ASP 600 Ca -0.05 -1.51 0.28 0.00 0.43 0.00 0.00 52.55 51.70 3gab s ASP 600 Cb 0.16 0.53 1.06 0.00 -0.30 0.00 0.00 42.92 44.37 3gab s ASP 600 CO 0.59 -0.27 1.77 -2.65 -0.17 0.00 0.00 175.17 174.43 3gab n PRO 601 N 4.35 0.46 -0.01 4.34 -0.02 -1.26 -3.99 135.00 138.87 3gab n PRO 601 Ca 0.10 -0.17 0.10 0.00 -2.02 0.00 0.00 63.50 61.50 3gab n PRO 601 Cb 0.45 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.28 3gab n PRO 601 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gab n PHE 602 N -1.12 0.00 -4.40 6.00 3.72 -1.26 -4.62 117.46 115.79 3gab n PHE 602 Ca 0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 3gab n PHE 602 Cb 0.30 -0.45 -0.16 0.00 -0.94 0.00 0.00 39.48 38.23 3gab n PHE 602 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gab s THR 603 N -3.38 0.80 0.93 4.37 2.01 -1.26 -0.38 115.64 118.73 3gab s THR 603 Ca -0.07 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 3gab s THR 603 Cb 0.13 -0.72 0.17 0.00 0.01 0.00 0.00 72.50 72.09 3gab s THR 603 CO 0.83 0.25 1.28 0.00 -0.69 0.00 0.00 174.62 176.30 3gab n PRO 605 N -3.69 0.11 -0.40 0.00 -0.02 -1.26 -1.74 135.00 127.99 3gab n PRO 605 Ca 0.13 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3gab n PRO 605 Cb 0.60 -1.82 0.31 0.00 -0.02 0.00 0.00 33.50 32.58 3gab n PRO 605 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gab n HIS 606 N -2.04 1.03 -0.43 6.00 8.25 -1.26 -4.94 115.22 121.83 3gab n HIS 606 Ca -0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 3gab n HIS 606 Cb 0.06 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gab n HIS 606 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gab n GLY 607 N 1.42 1.93 3.81 -1.41 0.00 -0.71 -5.02 105.19 105.21 3gab n GLY 607 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3gab n GLY 607 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gab s ARG 608 N -0.08 4.30 0.56 1.61 0.52 -1.26 -4.76 118.95 119.84 3gab s ARG 608 Ca 0.00 1.07 -0.20 0.00 -0.52 0.00 0.00 55.73 56.08 3gab s ARG 608 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 3gab s ARG 608 CO 0.00 0.15 1.27 -2.14 0.02 0.00 0.00 175.30 174.60 3gab s PRO 609 N -2.65 3.09 -0.16 3.54 0.02 -1.26 -0.83 135.00 136.75 3gab s PRO 609 Ca 0.55 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.60 3gab s PRO 609 Cb -0.13 -2.12 -0.11 0.00 0.02 0.00 0.00 34.50 32.16 3gab s PRO 609 CO 0.18 -1.16 -0.13 -0.89 -0.33 0.00 0.00 177.00 174.68 3gab n ILE 610 N -1.25 0.94 -4.61 2.83 5.41 0.49 -4.74 119.36 118.42 3gab n ILE 610 Ca 0.12 -0.38 -0.29 0.00 1.00 0.00 0.00 62.75 63.20 3gab n ILE 610 Cb 0.47 -1.04 -0.17 0.00 -0.71 0.00 0.00 39.64 38.20 3gab n ILE 610 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gab s ILE 611 N -2.33 1.64 -0.13 1.39 1.01 -1.26 -1.09 121.20 120.43 3gab s ILE 611 Ca -0.21 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 3gab s ILE 611 Cb 0.06 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3gab s ILE 611 CO 0.39 0.47 0.03 -0.63 0.00 0.00 0.00 174.94 175.21 3gab s ILE 612 N 0.84 4.56 -0.06 2.92 -1.09 0.85 -4.97 121.20 124.25 3gab s ILE 612 Ca -0.09 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.24 3gab s ILE 612 Cb -0.16 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 3gab s ILE 612 CO 0.00 0.55 -0.22 -2.28 -1.23 0.00 0.00 174.94 171.76 3gab s HIS 613 N -0.33 2.15 -0.30 3.97 5.65 -1.26 -0.19 115.29 124.98 3gab s HIS 613 Ca 0.08 -0.66 -0.01 0.00 0.25 0.00 0.00 55.06 54.72 3gab s HIS 613 Cb -0.12 -1.43 0.05 0.00 -1.18 0.00 0.00 32.58 29.91 3gab s HIS 613 CO 0.02 -0.22 -0.02 -1.01 -0.65 0.00 0.00 174.74 172.86 3gab s HIS 614 N -0.01 3.28 1.11 3.88 3.76 -0.14 -5.00 115.29 122.17 3gab s HIS 614 Ca -0.06 -2.00 -0.13 0.00 -0.15 0.00 0.00 55.06 52.73 3gab s HIS 614 Cb -0.13 -2.12 0.25 0.00 1.11 0.00 0.00 32.58 31.69 3gab s HIS 614 CO 0.04 -0.83 1.05 -1.54 -0.85 0.00 0.00 174.74 172.61 3gab s SER 615 N 1.23 1.50 0.50 1.40 1.04 -1.26 -0.36 113.70 117.75 3gab s SER 615 Ca -0.05 1.44 0.22 0.00 0.48 0.00 0.00 55.95 58.04 3gab s SER 615 Cb -0.20 -2.18 1.31 0.00 0.10 0.00 0.00 66.02 65.05 3gab s SER 615 CO -0.02 -3.87 2.07 0.74 0.98 0.00 0.00 173.24 173.14 3gab h THR 616 N -2.40 0.82 0.16 2.02 2.02 -1.23 -2.55 112.91 111.76 3gab h THR 616 Ca -0.59 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 3gab h THR 616 Cb 1.33 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3gab h THR 616 CO 0.52 0.12 -0.08 0.22 0.37 0.00 0.00 175.52 176.68 3gab h TYR 617 N 0.00 -0.20 -0.78 3.16 3.20 -1.90 -2.55 116.97 117.91 3gab h TYR 617 Ca -0.00 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 3gab h TYR 617 Cb 0.26 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3gab h TYR 617 CO 0.00 0.17 0.55 0.93 -1.64 0.00 0.00 178.16 178.17 3gab h GLU 618 N -0.96 0.07 0.04 1.82 5.08 -1.89 0.14 114.58 118.88 3gab h GLU 618 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3gab h GLU 618 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3gab h GLU 618 CO 0.04 0.05 -0.02 0.52 -1.00 0.00 0.00 179.01 178.59 3gab h MET 619 N 0.07 -0.06 -0.35 2.33 2.86 -1.50 -2.03 114.93 116.26 3gab h MET 619 Ca 0.38 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 58.08 3gab h MET 619 Cb 1.39 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.04 3gab h MET 619 CO -0.03 0.58 0.24 0.93 1.06 0.00 0.00 176.91 179.69 3gab h GLU 620 N -0.81 0.19 0.48 1.72 5.08 -0.93 -1.18 114.58 119.13 3gab h GLU 620 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3gab h GLU 620 Cb 0.67 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3gab h GLU 620 CO 0.01 0.12 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.70 3gab h LYS 621 N 0.19 -0.62 0.00 2.33 3.64 -0.72 -2.92 116.57 118.48 3gab h LYS 621 Ca 0.16 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gab h LYS 621 Cb 0.38 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3gab h LYS 621 CO -0.03 -0.41 0.06 0.00 -2.27 0.00 0.00 179.45 176.80 3gab h MET 622 N -0.73 0.00 -0.02 1.90 -0.00 -1.09 -3.51 114.93 111.47 3gab h MET 622 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3gab h MET 622 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.09 3gab h MET 622 CO 0.11 0.00 0.00 1.19 -0.00 0.00 0.00 176.91 178.21