#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gab s VAL 436 N 0.00 5.45 0.25 8.89 1.01 -1.26 -5.07 120.40 129.67 3gab s VAL 436 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3gab s VAL 436 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 3gab s VAL 436 CO 0.00 0.61 1.33 -2.16 0.00 0.00 0.00 175.10 174.88 3gab s PRO 437 N -0.99 4.36 0.07 2.72 0.04 -1.26 -4.96 135.00 134.98 3gab s PRO 437 Ca 0.16 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.04 3gab s PRO 437 Cb -0.13 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 3gab s PRO 437 CO 0.05 -0.26 1.33 0.42 0.04 0.00 0.00 177.00 178.58 3gab s ILE 438 N -0.31 3.65 0.01 0.56 1.01 -1.26 -5.02 121.20 119.84 3gab s ILE 438 Ca 0.55 1.15 0.04 0.00 0.00 0.00 0.00 60.65 62.39 3gab s ILE 438 Cb -0.39 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3gab s ILE 438 CO 0.43 0.07 -0.12 0.00 0.00 0.00 0.00 174.94 175.32 3gab s MET 439 N 1.42 0.90 -0.14 2.79 0.23 -1.26 -4.76 119.30 118.48 3gab s MET 439 Ca 0.62 -0.52 -0.08 0.00 -1.03 0.00 0.00 55.69 54.69 3gab s MET 439 Cb -0.33 -0.88 -0.04 0.00 -1.53 0.00 0.00 34.83 32.05 3gab s MET 439 CO 0.29 0.23 0.14 0.71 -2.03 0.00 0.00 175.02 174.36 3gab s TYR 440 N -0.48 3.56 0.38 3.16 1.51 0.11 -4.80 117.35 120.79 3gab s TYR 440 Ca 0.03 0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 56.30 3gab s TYR 440 Cb -0.06 -1.99 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 3gab s TYR 440 CO 0.00 0.64 1.42 -2.14 -1.11 0.00 0.00 175.55 174.37 3gab s PRO 441 N -0.73 4.08 -0.16 -1.71 0.02 -1.26 -0.71 135.00 134.52 3gab s PRO 441 Ca 0.14 2.44 0.08 0.00 0.02 0.00 0.00 61.00 63.68 3gab s PRO 441 Cb -0.12 -2.92 -0.16 0.00 0.02 0.00 0.00 34.50 31.32 3gab s PRO 441 CO 0.03 -0.50 -0.04 -0.89 -0.33 0.00 0.00 177.00 175.26 3gab n ILE 442 N 0.40 1.05 -2.69 2.83 5.41 1.00 -4.85 119.36 122.50 3gab n ILE 442 Ca 0.02 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3gab n ILE 442 Cb 0.41 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 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 2.30 -0.45 2.29 7.39 0.00 -1.04 -5.03 105.19 110.65 3gab n GLY 443 Ca -0.28 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 3gab n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gab n GLN 444 N 0.00 0.49 -3.68 1.61 -0.00 -1.26 -0.66 117.38 113.88 3gab n GLN 444 Ca 0.00 -2.37 -0.14 0.00 -0.00 0.00 0.00 57.00 54.49 3gab n GLN 444 Cb 0.00 1.60 -0.09 0.00 -0.00 0.00 0.00 30.24 31.76 3gab n GLN 444 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gab s MET 445 N -3.02 0.65 0.00 2.61 0.23 -0.43 -4.93 119.30 114.41 3gab s MET 445 Ca 0.21 0.74 0.00 0.00 -1.03 0.00 0.00 55.69 55.61 3gab s MET 445 Cb 0.01 0.32 0.00 0.00 -1.53 0.00 0.00 34.83 33.63 3gab s MET 445 CO 0.15 -0.08 0.00 0.72 -2.03 0.00 0.00 175.02 173.77 3gab n HIS 446 N 2.72 0.00 -1.42 3.16 8.25 -1.26 -1.80 115.22 124.87 3gab n HIS 446 Ca -0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.18 3gab n HIS 446 Cb 0.56 -1.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.07 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 -0.61 1.48 0.00 -1.41 0.00 -1.26 -4.80 105.19 98.59 3gab n GLY 447 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 0.00 -5.19 2.61 -2.24 -0.74 -4.13 114.28 102.04 3gab n THR 448 Ca -0.14 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 3gab n THR 448 Cb 0.50 -0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.65 2.51 -0.11 4.78 2.02 -0.96 -2.00 117.35 121.95 3gab s TYR 449 Ca 0.00 -0.75 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 3gab s TYR 449 Cb 0.00 -1.64 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 3gab s TYR 449 CO 0.00 -0.23 0.02 0.42 -1.57 0.00 0.00 175.55 174.19 3gab s ILE 450 N -0.06 4.45 -0.16 2.71 1.01 0.52 -1.32 121.20 128.35 3gab s ILE 450 Ca -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 3gab s ILE 450 Cb -0.15 -2.90 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 3gab s ILE 450 CO 0.05 0.58 -0.14 -0.76 0.00 0.00 0.00 174.94 174.67 3gab s LEU 451 N -0.65 2.54 0.15 2.97 1.43 0.17 -1.12 118.68 124.18 3gab s LEU 451 Ca 0.11 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3gab s LEU 451 Cb -0.12 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3gab s LEU 451 CO 0.02 0.09 0.08 0.00 0.23 0.00 0.00 176.35 176.77 3gab s ALA 452 N 0.81 0.95 0.10 4.21 0.00 -0.43 -0.00 121.76 127.40 3gab s ALA 452 Ca -0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 3gab s ALA 452 Cb -0.15 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.02 3gab s ALA 452 CO 0.00 -0.52 0.35 1.14 0.00 0.00 0.00 175.76 176.73 3gab s GLN 453 N -4.08 0.98 0.02 0.00 1.03 0.11 -0.43 119.66 117.29 3gab s GLN 453 Ca 0.29 -0.71 -0.00 0.00 0.04 0.00 0.00 55.36 54.97 3gab s GLN 453 Cb 0.07 0.43 0.00 0.00 0.03 0.00 0.00 33.01 33.54 3gab s GLN 453 CO 0.05 -0.36 0.03 0.27 -2.54 0.00 0.00 175.29 172.74 3gab n ASN 454 N -0.05 -0.10 0.17 12.60 0.23 -0.88 -0.71 115.26 126.51 3gab n ASN 454 Ca -0.16 -1.11 0.12 0.00 -0.53 0.00 0.00 54.58 52.90 3gab n ASN 454 Cb 0.63 0.18 0.61 0.00 -2.08 0.00 0.00 39.78 39.11 3gab n ASN 454 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3gab h GLU 455 N 0.00 0.00 0.00 -3.83 5.08 -2.02 -0.94 114.58 112.86 3gab h GLU 455 Ca -0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3gab h GLU 455 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gab h GLU 455 CO 0.02 0.00 -0.63 -0.91 -1.00 0.00 0.00 179.01 176.50 3gab h ASN 456 N 0.00 0.00 0.00 1.42 2.35 -1.97 -3.45 115.58 113.92 3gab h ASN 456 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gab h ASN 456 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3gab h ASN 456 CO 0.00 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 3gab n GLY 457 N 1.22 0.60 3.87 2.83 0.00 -0.36 -1.59 105.19 111.76 3gab n GLY 457 Ca 0.00 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.04 0.99 2.96 -0.05 -2.08 118.68 124.83 3gab s LEU 458 Ca 0.00 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 3gab s LEU 458 Cb 0.00 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 3gab s LEU 458 CO 0.00 0.23 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.80 3gab s TYR 459 N -1.31 1.50 -0.07 5.38 1.51 0.43 -0.72 117.35 124.06 3gab s TYR 459 Ca 0.29 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3gab s TYR 459 Cb -0.14 -1.02 -0.00 0.00 -0.11 0.00 0.00 41.96 40.69 3gab s TYR 459 CO 0.16 -0.15 -0.22 0.42 -1.11 0.00 0.00 175.55 174.65 3gab s ILE 460 N 0.09 1.87 -0.03 2.71 1.01 0.79 -1.32 121.20 126.33 3gab s ILE 460 Ca -0.04 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3gab s ILE 460 Cb -0.11 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3gab s ILE 460 CO 0.02 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.73 3gab s ILE 461 N 0.17 1.04 -0.69 2.92 1.09 -0.27 -0.11 121.20 125.34 3gab s ILE 461 Ca -0.11 -0.50 -0.27 0.00 -1.10 0.00 0.00 60.65 58.67 3gab s ILE 461 Cb -0.16 -0.91 0.03 0.00 -1.06 0.00 0.00 42.46 40.36 3gab s ILE 461 CO 0.06 0.31 1.22 -0.62 -0.10 0.00 0.00 174.94 175.81 3gab s ASP 462 N 0.18 6.23 0.51 3.58 -1.08 -0.77 -0.35 116.67 124.97 3gab s ASP 462 Ca -0.04 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 51.80 3gab s ASP 462 Cb -0.10 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 40.15 3gab s ASP 462 CO 0.01 -1.70 2.12 0.06 0.52 0.00 0.00 175.17 176.18 3gab h GLN 463 N 9.85 0.00 0.19 4.34 3.07 -1.75 0.55 115.11 131.36 3gab h GLN 463 Ca -0.27 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.16 3gab h GLN 463 Cb 1.05 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.64 3gab h GLN 463 CO 1.24 0.06 -1.36 0.45 0.09 0.00 0.00 178.83 179.32 3gab h HIS 464 N 0.00 0.79 -0.31 0.06 3.86 -1.91 -2.07 115.15 115.58 3gab h HIS 464 Ca -0.00 -0.57 -0.08 0.00 -1.16 0.00 0.00 60.37 58.57 3gab h HIS 464 Cb 0.13 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3gab h HIS 464 CO 0.00 1.44 -0.13 0.00 0.86 0.00 0.00 177.93 180.09 3gab h ALA 465 N 0.35 1.20 -0.28 2.45 0.00 -1.64 -1.77 119.26 119.56 3gab h ALA 465 Ca -0.20 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3gab h ALA 465 Cb 2.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3gab h ALA 465 CO 0.24 0.51 -0.52 0.00 0.00 0.00 0.00 179.25 179.49 3gab h ALA 466 N 1.38 0.45 -0.27 0.00 0.00 -0.95 -1.94 119.26 117.93 3gab h ALA 466 Ca 0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3gab h ALA 466 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3gab h ALA 466 CO 0.03 0.64 -0.10 1.96 0.00 0.00 0.00 179.25 181.79 3gab h GLN 467 N 0.63 0.43 -0.08 0.00 4.20 -1.23 -1.94 115.11 117.11 3gab h GLN 467 Ca 0.02 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 3gab h GLN 467 Cb 1.12 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3gab h GLN 467 CO 0.12 0.54 -0.78 0.93 -0.67 0.00 0.00 178.83 178.96 3gab h GLU 468 N 0.41 0.49 -0.29 1.46 5.08 -1.20 -0.36 114.58 120.17 3gab h GLU 468 Ca 0.08 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 3gab h GLU 468 Cb 0.42 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3gab h GLU 468 CO 0.02 1.06 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.80 3gab h ARG 469 N 0.33 0.54 -0.04 2.33 9.65 -1.18 0.44 114.38 126.45 3gab h ARG 469 Ca -0.05 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.57 3gab h ARG 469 Cb 1.38 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3gab h ARG 469 CO 0.14 0.71 -0.28 0.82 2.80 0.00 0.00 179.97 184.17 3gab h ILE 470 N 0.49 1.47 0.00 1.20 2.04 -1.22 -2.74 117.51 118.74 3gab h ILE 470 Ca 0.08 -1.77 -0.09 0.00 1.00 0.00 0.00 64.86 64.07 3gab h ILE 470 Cb 0.62 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 3gab h ILE 470 CO 0.04 0.50 -0.45 0.11 0.00 0.00 0.00 178.15 178.35 3gab h LYS 471 N -0.30 0.00 0.38 2.37 1.57 -1.07 -3.02 116.57 116.50 3gab h LYS 471 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3gab h LYS 471 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3gab h LYS 471 CO 0.06 0.45 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.28 3gab h TYR 472 N 0.00 -0.47 0.00 -1.35 3.20 -0.90 -2.12 116.97 115.32 3gab h TYR 472 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3gab h TYR 472 Cb 0.81 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3gab h TYR 472 CO 0.00 -0.26 0.00 0.93 -1.64 0.00 0.00 178.16 177.19 3gab h GLU 473 N -0.58 0.00 0.07 1.82 5.08 -1.43 0.46 114.58 119.99 3gab h GLU 473 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3gab h GLU 473 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3gab h GLU 473 CO 0.09 0.00 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.14 3gab h TYR 474 N 0.00 -0.08 -0.00 4.33 3.20 -1.36 -3.20 116.97 119.85 3gab h TYR 474 Ca 0.00 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3gab h TYR 474 Cb 0.14 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3gab h TYR 474 CO 0.00 0.50 -0.76 0.74 -1.64 0.00 0.00 178.16 177.00 3gab h PHE 475 N -0.80 0.08 -0.34 -3.82 0.04 -0.69 -2.49 116.94 108.91 3gab h PHE 475 Ca -0.01 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 3gab h PHE 475 Cb 0.62 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 3gab h PHE 475 CO 0.14 0.79 0.10 -0.09 -0.60 0.00 0.00 178.31 178.64 3gab h ARG 476 N 0.03 0.49 0.00 1.51 2.43 -0.25 0.24 114.38 118.83 3gab h ARG 476 Ca -0.01 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3gab h ARG 476 Cb 1.33 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3gab h ARG 476 CO 0.10 0.44 -0.01 1.49 -1.51 0.00 0.00 179.97 180.48 3gab h GLU 477 N 0.48 0.01 -1.01 0.20 4.81 -1.52 -2.92 114.58 114.63 3gab h GLU 477 Ca 0.12 -0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.59 3gab h GLU 477 Cb 0.16 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.42 3gab h GLU 477 CO -0.01 0.90 0.60 0.87 -0.73 0.00 0.00 179.01 180.64 3gab h LYS 478 N -0.88 0.54 -0.26 1.92 1.79 -1.25 0.43 116.57 118.87 3gab h LYS 478 Ca -0.00 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.30 3gab h LYS 478 Cb 0.90 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 3gab h LYS 478 CO 0.00 0.36 -0.41 0.28 -1.08 0.00 0.00 179.45 178.60 3gab h VAL 479 N 0.56 1.30 0.00 0.50 2.07 -1.00 -3.11 116.25 116.56 3gab h VAL 479 Ca 0.65 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3gab h VAL 479 Cb 1.27 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3gab h VAL 479 CO -0.47 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.23 3gab n GLY 480 N 0.02 -1.03 0.00 2.17 0.00 0.13 -4.69 105.19 101.79 3gab n GLY 480 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3gab n GLY 480 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gab n GLU 481 N -2.20 3.62 -3.27 1.61 0.28 -1.18 -5.11 120.64 114.40 3gab n GLU 481 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.97 3gab n GLU 481 Cb 0.12 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.94 3gab n GLU 481 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 3gab s PRO 484 N 3.52 0.44 -1.21 3.44 0.02 -1.26 -5.00 135.00 134.95 3gab s PRO 484 Ca 0.00 0.69 -0.13 0.00 0.02 0.00 0.00 61.00 61.58 3gab s PRO 484 Cb 0.00 -0.05 0.18 0.00 0.02 0.00 0.00 34.50 34.65 3gab s PRO 484 CO 0.00 -0.67 1.43 0.39 -0.33 0.00 0.00 177.00 177.82 3gab n GLU 485 N 5.39 3.39 -3.27 5.54 1.02 -1.26 -5.01 120.64 126.45 3gab n GLU 485 Ca -0.02 -3.88 -0.35 0.00 -0.02 0.00 0.00 57.16 52.88 3gab n GLU 485 Cb 0.51 -3.00 -0.06 0.00 -0.02 0.00 0.00 31.44 28.86 3gab n GLU 485 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gab s VAL 486 N 1.33 4.76 0.39 2.62 -7.23 -1.26 0.96 120.40 121.97 3gab s VAL 486 Ca 0.42 0.95 0.04 0.00 -1.81 0.00 0.00 61.98 61.58 3gab s VAL 486 Cb -0.03 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 3gab s VAL 486 CO -0.00 0.18 0.07 0.00 -0.31 0.00 0.00 175.10 175.04 3gab s GLN 487 N -2.09 1.87 -0.03 4.82 -2.07 0.38 -4.79 119.66 117.75 3gab s GLN 487 Ca 0.41 -2.11 -0.14 0.00 -1.82 0.00 0.00 55.36 51.70 3gab s GLN 487 Cb -0.15 -0.98 -0.05 0.00 -1.09 0.00 0.00 33.01 30.74 3gab s GLN 487 CO 0.20 -0.30 0.38 -2.00 -1.32 0.00 0.00 175.29 172.25 3gab s GLU 488 N -3.81 3.92 0.08 9.60 2.12 -1.26 -1.90 118.70 127.45 3gab s GLU 488 Ca 0.27 0.34 -0.31 0.00 0.36 0.00 0.00 54.97 55.63 3gab s GLU 488 Cb 0.06 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 3gab s GLU 488 CO 0.13 0.63 1.32 -1.64 -0.54 0.00 0.00 175.26 175.17 3gab s MET 489 N -0.85 4.36 0.19 4.30 -1.94 -0.10 -4.91 119.30 120.34 3gab s MET 489 Ca 0.23 1.95 -0.10 0.00 -1.71 0.00 0.00 55.69 56.05 3gab s MET 489 Cb -0.16 -3.32 0.11 0.00 2.01 0.00 0.00 34.83 33.47 3gab s MET 489 CO 0.12 -0.39 1.76 0.82 -0.01 0.00 0.00 175.02 177.32 3gab h ILE 490 N 4.43 1.24 -3.40 2.53 2.04 -1.97 -3.35 117.51 119.03 3gab h ILE 490 Ca -0.41 -0.71 -0.64 0.00 1.00 0.00 0.00 64.86 64.10 3gab h ILE 490 Cb 1.21 0.44 -0.41 0.00 -0.74 0.00 0.00 36.82 37.33 3gab h ILE 490 CO 0.85 0.29 -0.68 -0.69 0.00 0.00 0.00 178.15 177.92 3gab s VAL 491 N -5.62 2.23 0.85 1.67 1.01 -1.26 -5.12 120.40 114.17 3gab s VAL 491 Ca -0.13 -2.82 -0.12 0.00 0.00 0.00 0.00 61.98 58.91 3gab s VAL 491 Cb 0.14 -2.58 0.11 0.00 0.00 0.00 0.00 36.38 34.05 3gab s VAL 491 CO 0.81 -0.75 1.18 -2.84 0.00 0.00 0.00 175.10 173.49 3gab s PRO 492 N 0.25 1.38 0.11 2.72 0.02 -1.26 -5.03 135.00 133.19 3gab s PRO 492 Ca 0.15 1.65 0.07 0.00 0.02 0.00 0.00 61.00 62.89 3gab s PRO 492 Cb -0.23 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 3gab s PRO 492 CO -0.04 -2.39 -0.09 -0.51 -0.33 0.00 0.00 177.00 173.64 3gab s LEU 493 N -6.12 3.06 -0.09 -5.54 1.43 -0.42 -4.95 118.68 106.05 3gab s LEU 493 Ca 0.70 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gab s LEU 493 Cb -0.26 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.13 3gab s LEU 493 CO 0.54 0.17 -0.17 0.42 0.23 0.00 0.00 176.35 177.54 3gab s THR 494 N -1.26 1.55 -0.09 5.49 -4.23 -1.26 -0.84 115.64 114.99 3gab s THR 494 Ca 0.22 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3gab s THR 494 Cb -0.11 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 3gab s THR 494 CO 0.14 0.45 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.10 3gab s PHE 495 N 0.73 2.59 -0.23 3.99 0.08 0.83 -4.98 117.98 120.98 3gab s PHE 495 Ca -0.12 -0.81 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 3gab s PHE 495 Cb -0.16 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3gab s PHE 495 CO 0.03 -0.28 -0.09 -1.01 -0.10 0.00 0.00 175.22 173.77 3gab s HIS 496 N 0.13 3.00 0.32 0.36 3.76 -1.26 -1.33 115.29 120.27 3gab s HIS 496 Ca -0.11 -1.49 0.10 0.00 -0.15 0.00 0.00 55.06 53.41 3gab s HIS 496 Cb -0.16 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.44 3gab s HIS 496 CO 0.06 -0.72 -0.11 0.71 -0.85 0.00 0.00 174.74 173.83 3gab s TYR 497 N 1.34 2.40 1.07 1.40 2.02 -0.53 -5.04 117.35 120.01 3gab s TYR 497 Ca 0.02 -0.43 -0.13 0.00 -0.37 0.00 0.00 57.07 56.16 3gab s TYR 497 Cb -0.16 -1.27 0.23 0.00 -0.40 0.00 0.00 41.96 40.36 3gab s TYR 497 CO -0.06 0.61 1.07 -1.54 -1.57 0.00 0.00 175.55 174.06 3gab s SER 498 N -3.60 1.96 0.27 2.29 1.04 -1.26 -4.74 113.70 109.65 3gab s SER 498 Ca 0.32 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 57.98 3gab s SER 498 Cb -0.01 -1.97 0.35 0.00 0.10 0.00 0.00 66.02 64.49 3gab s SER 498 CO 0.17 -3.56 1.93 0.74 0.98 0.00 0.00 173.24 173.50 3gab h THR 499 N -2.18 1.20 -0.25 2.02 2.02 -1.98 -1.90 112.91 111.83 3gab h THR 499 Ca -0.58 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3gab h THR 499 Cb 1.34 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 3gab h THR 499 CO 0.55 0.23 -0.02 -1.13 0.37 0.00 0.00 175.52 175.52 3gab h ASN 500 N 1.25 0.45 -0.15 4.18 -0.00 -2.00 -2.79 115.58 116.52 3gab h ASN 500 Ca 0.37 -0.33 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 3gab h ASN 500 Cb -0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 3gab h ASN 500 CO -0.10 0.68 0.05 -0.33 -0.00 0.00 0.00 177.43 177.72 3gab h GLU 501 N 0.22 0.23 -0.99 6.67 5.08 -1.86 -2.27 114.58 121.66 3gab h GLU 501 Ca 0.07 -0.05 0.22 0.00 -1.00 0.00 0.00 59.36 58.60 3gab h GLU 501 Cb 0.46 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 3gab h GLU 501 CO 0.02 0.36 0.63 0.00 -1.00 0.00 0.00 179.01 179.01 3gab h ALA 502 N 0.86 2.05 -0.15 3.43 0.00 -1.36 -0.97 119.26 123.13 3gab h ALA 502 Ca 0.05 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gab h ALA 502 Cb 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gab h ALA 502 CO -0.00 -0.42 -0.17 1.25 0.00 0.00 0.00 179.25 179.91 3gab h LEU 503 N 0.51 0.41 -1.11 0.00 5.85 -1.14 -2.02 115.31 117.80 3gab h LEU 503 Ca 0.55 -0.50 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3gab h LEU 503 Cb 1.22 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3gab h LEU 503 CO -0.29 0.83 0.60 0.40 -0.34 0.00 0.00 178.44 179.64 3gab h ILE 504 N -0.00 1.08 0.00 4.05 2.04 -0.79 -1.83 117.51 122.05 3gab h ILE 504 Ca 0.02 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3gab h ILE 504 Cb 0.72 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3gab h ILE 504 CO 0.04 0.20 -0.00 0.40 0.00 0.00 0.00 178.15 178.79 3gab h ILE 505 N 1.07 1.02 -0.87 -0.67 2.04 -1.03 -2.45 117.51 116.62 3gab h ILE 505 Ca 0.40 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 66.34 3gab h ILE 505 Cb 0.18 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3gab h ILE 505 CO -0.15 0.01 0.56 -0.33 0.00 0.00 0.00 178.15 178.25 3gab h GLU 506 N -0.02 0.68 0.00 2.37 4.39 -0.87 0.09 114.58 121.22 3gab h GLU 506 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3gab h GLU 506 Cb 0.02 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3gab h GLU 506 CO 0.00 0.45 0.00 1.96 -1.16 0.00 0.00 179.01 180.26 3gab h GLN 507 N 0.70 0.00 0.00 2.33 1.08 -0.90 -3.17 115.11 115.16 3gab h GLN 507 Ca 0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 3gab h GLN 507 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3gab h GLN 507 CO -0.19 0.00 -0.02 0.72 -0.95 0.00 0.00 178.83 178.39 3gab n HIS 508 N -2.52 0.00 -0.21 2.96 8.25 -0.16 -4.82 115.22 118.72 3gab n HIS 508 Ca 0.02 -0.55 0.01 0.00 -0.26 0.00 0.00 57.72 56.94 3gab n HIS 508 Cb 0.28 -0.07 0.10 0.00 1.12 0.00 0.00 29.99 31.43 3gab n HIS 508 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3gab h LYS 509 N 0.00 0.11 -0.66 -0.41 3.64 -1.04 0.17 116.57 118.39 3gab h LYS 509 Ca 0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3gab h LYS 509 Cb 0.71 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3gab h LYS 509 CO 0.00 0.07 0.09 0.37 -2.27 0.00 0.00 179.45 177.71 3gab h GLN 510 N 0.12 1.10 -0.32 1.90 4.15 -1.87 -1.78 115.11 118.39 3gab h GLN 510 Ca 0.33 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 3gab h GLN 510 Cb 0.53 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3gab h GLN 510 CO -0.54 1.01 -0.14 0.93 -1.93 0.00 0.00 178.83 178.17 3gab h GLU 511 N 1.02 0.57 -0.27 1.69 3.07 -1.54 -2.27 114.58 116.85 3gab h GLU 511 Ca 0.20 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 3gab h GLU 511 Cb 0.46 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3gab h GLU 511 CO 0.02 0.69 -0.17 -0.07 -1.40 0.00 0.00 179.01 178.08 3gab h LEU 512 N 0.52 0.62 -1.34 1.33 3.38 -0.38 -2.98 115.31 116.46 3gab h LEU 512 Ca 0.09 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3gab h LEU 512 Cb 0.54 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gab h LEU 512 CO 0.03 0.91 0.24 -0.33 0.09 0.00 0.00 178.44 179.39 3gab h GLU 513 N 0.32 0.69 -0.82 1.13 5.08 -0.79 -0.29 114.58 119.90 3gab h GLU 513 Ca 0.06 -0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 3gab h GLU 513 Cb 0.70 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 3gab h GLU 513 CO 0.05 0.54 0.54 1.03 -1.00 0.00 0.00 179.01 180.17 3gab h SER 514 N 0.70 0.45 -0.62 1.42 0.87 -1.24 -0.37 113.55 114.75 3gab h SER 514 Ca 0.18 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3gab h SER 514 Cb 0.07 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3gab h SER 514 CO -0.02 0.22 0.00 1.33 -0.53 0.00 0.00 176.83 177.83 3gab n VAL 515 N -4.51 0.93 -0.14 2.23 0.24 -0.85 -4.73 118.33 111.51 3gab n VAL 515 Ca 0.16 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3gab n VAL 515 Cb 0.56 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.42 0.93 3.51 7.63 0.00 -0.15 -5.02 105.19 113.51 3gab n GLY 516 Ca 0.21 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 5.24 -0.70 1.61 1.01 -0.18 -4.32 120.40 121.07 3gab s VAL 517 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3gab s VAL 517 Cb 0.00 -3.74 0.18 0.00 0.00 0.00 0.00 36.38 32.81 3gab s VAL 517 CO 0.00 -0.07 0.52 -0.36 0.00 0.00 0.00 175.10 175.19 3gab s PHE 518 N 1.71 3.54 -0.05 5.22 0.08 -1.26 -2.12 117.98 125.10 3gab s PHE 518 Ca 0.06 -3.01 -0.28 0.00 0.12 0.00 0.00 56.93 53.82 3gab s PHE 518 Cb -0.18 -3.05 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 3gab s PHE 518 CO 0.10 -0.73 0.90 -0.51 -0.10 0.00 0.00 175.22 174.88 3gab s LEU 519 N -0.76 4.32 -0.18 -0.37 1.43 -1.26 -4.54 118.68 117.31 3gab s LEU 519 Ca 0.22 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.76 3gab s LEU 519 Cb -0.14 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 3gab s LEU 519 CO -0.08 -0.27 -0.06 -1.61 0.23 0.00 0.00 176.35 174.56 3gab s GLU 520 N 1.22 3.46 0.06 1.70 2.02 0.81 -4.91 118.70 123.07 3gab s GLU 520 Ca 0.47 -0.61 -0.37 0.00 0.02 0.00 0.00 54.97 54.47 3gab s GLU 520 Cb -0.19 -2.90 -0.18 0.00 0.10 0.00 0.00 34.13 30.96 3gab s GLU 520 CO 0.23 0.02 1.25 0.43 0.02 0.00 0.00 175.26 177.20 3gab n SER 521 N 4.16 1.11 -3.15 -0.19 7.64 -1.26 0.09 113.62 122.03 3gab n SER 521 Ca -0.18 1.13 -0.21 0.00 1.01 0.00 0.00 58.87 60.63 3gab n SER 521 Cb 0.52 -1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 62.57 3gab n SER 521 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3gab n PHE 522 N 2.15 0.99 -1.20 1.43 7.35 0.25 -4.71 117.46 123.72 3gab n PHE 522 Ca 0.19 -3.83 0.00 0.00 -0.76 0.00 0.00 57.45 53.04 3gab n PHE 522 Cb 0.16 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.56 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 0.34 -1.80 3.70 7.13 0.00 -1.26 -4.46 105.19 108.85 3gab n GLY 523 Ca 0.26 -1.86 -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 -4.00 7.33 -1.68 1.61 1.04 -1.26 -3.78 113.70 112.96 3gab s SER 524 Ca 0.00 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.07 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 -0.32 0.00 0.59 0.98 0.00 0.00 173.24 174.49 3gab n ASN 525 N 4.21 -5.35 -3.85 7.02 5.03 -1.26 -4.98 115.26 116.08 3gab n ASN 525 Ca 0.07 0.09 -0.12 0.00 0.87 0.00 0.00 54.58 55.49 3gab n ASN 525 Cb 0.50 -4.42 -0.11 0.00 -1.02 0.00 0.00 39.78 34.73 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 -2.31 -0.06 0.05 6.41 0.01 -1.25 -1.45 113.70 115.11 3gab s SER 526 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3gab s SER 526 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 3gab s SER 526 CO 0.00 -0.24 -0.05 -0.31 0.41 0.00 0.00 173.24 173.06 3gab s TYR 527 N -0.77 0.57 0.08 2.43 1.51 -0.44 -0.58 117.35 120.15 3gab s TYR 527 Ca -0.09 -0.83 0.09 0.00 -1.01 0.00 0.00 57.07 55.24 3gab s TYR 527 Cb -0.05 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 3gab s TYR 527 CO 0.01 -0.24 -0.24 0.96 -1.11 0.00 0.00 175.55 174.94 3gab s ILE 528 N -2.92 1.93 -0.24 2.71 -4.36 0.11 -0.12 121.20 118.31 3gab s ILE 528 Ca 0.00 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 3gab s ILE 528 Cb 0.01 -1.70 0.06 0.00 1.25 0.00 0.00 42.46 42.08 3gab s ILE 528 CO -0.05 0.16 -0.10 -0.69 0.24 0.00 0.00 174.94 174.50 3gab s VAL 529 N -0.94 1.99 -1.01 8.37 1.01 -0.02 -0.13 120.40 129.67 3gab s VAL 529 Ca 0.10 -1.46 0.15 0.00 0.00 0.00 0.00 61.98 60.77 3gab s VAL 529 Cb -0.10 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 3gab s VAL 529 CO 0.03 0.01 0.72 0.54 0.00 0.00 0.00 175.10 176.40 3gab n ARG 530 N 4.51 1.93 -4.09 2.72 1.74 -1.26 -1.30 116.66 120.91 3gab n ARG 530 Ca -0.14 -0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 56.46 3gab n ARG 530 Cb 0.43 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.99 -0.03 0.48 0.00 -3.43 -0.80 -4.66 115.29 103.86 3gab s HIS 532 Ca 0.31 0.01 -0.24 0.00 -0.80 0.00 0.00 55.06 54.33 3gab s HIS 532 Cb -0.01 0.51 -0.07 0.00 -1.43 0.00 0.00 32.58 31.58 3gab s HIS 532 CO 0.21 -0.07 1.37 -2.14 -2.00 0.00 0.00 174.74 172.11 3gab s PRO 533 N -2.13 3.52 0.40 -0.38 0.02 -1.26 -0.47 135.00 134.70 3gab s PRO 533 Ca 0.13 2.27 0.17 0.00 0.02 0.00 0.00 61.00 63.59 3gab s PRO 533 Cb 0.02 -2.50 0.84 0.00 0.02 0.00 0.00 34.50 32.88 3gab s PRO 533 CO -0.04 -0.90 1.84 0.00 -0.33 0.00 0.00 177.00 177.57 3gab h ALA 534 N 2.03 1.22 -0.03 -1.55 0.00 0.29 -2.76 119.26 118.45 3gab h ALA 534 Ca -0.51 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3gab h ALA 534 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3gab h ALA 534 CO 0.60 0.42 0.00 -2.67 0.00 0.00 0.00 179.25 177.59 3gab n TRP 535 N -3.81 0.04 -1.94 0.00 4.27 -1.26 -4.84 117.44 109.89 3gab n TRP 535 Ca -0.01 -0.02 -0.39 0.00 -3.89 0.00 0.00 57.50 53.19 3gab n TRP 535 Cb 0.41 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.37 3gab n TRP 535 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 3gab s PHE 536 N -1.96 2.60 -0.17 -2.67 0.40 -1.04 -4.90 117.98 110.24 3gab s PHE 536 Ca 0.28 1.37 -0.34 0.00 -0.60 0.00 0.00 56.93 57.65 3gab s PHE 536 Cb 0.13 -3.74 -0.11 0.00 0.51 0.00 0.00 43.02 39.82 3gab s PHE 536 CO 0.22 -2.46 2.00 -2.30 0.70 0.00 0.00 175.22 173.38 3gab n PRO 537 N -0.30 1.90 -1.76 0.24 -0.02 -1.26 -4.90 135.00 128.91 3gab n PRO 537 Ca 0.06 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 3gab n PRO 537 Cb 0.44 -2.69 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 7.28 2.55 -0.34 -0.52 4.76 -1.26 -2.25 118.16 128.37 3gab n LYS 538 Ca 0.28 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.61 3gab n LYS 538 Cb 0.30 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 30.89 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 0.64 2.18 0.15 0.72 0.00 -1.26 -4.79 105.19 102.83 3gab n GLY 539 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 1.15 -0.27 1.61 1.02 -0.96 -4.82 120.64 116.36 3gab n GLU 540 Ca 0.00 -1.63 -0.05 0.00 -0.02 0.00 0.00 57.16 55.46 3gab n GLU 540 Cb 0.00 -0.99 0.06 0.00 -0.02 0.00 0.00 31.44 30.50 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 1.02 -0.02 3.49 3.07 -1.86 -2.45 114.58 117.82 3gab h GLU 541 Ca 0.00 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3gab h GLU 541 Cb 0.99 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3gab h GLU 541 CO 0.00 0.71 0.01 0.00 -1.40 0.00 0.00 179.01 178.33 3gab h ALA 542 N 1.25 0.03 -0.70 3.43 0.00 -1.93 -1.18 119.26 120.16 3gab h ALA 542 Ca 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gab h ALA 542 Cb -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3gab h ALA 542 CO -0.05 -0.36 0.30 0.93 0.00 0.00 0.00 179.25 180.07 3gab h GLU 543 N -0.18 1.02 0.12 0.00 3.07 -1.91 -2.15 114.58 114.55 3gab h GLU 543 Ca 0.01 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3gab h GLU 543 Cb 0.22 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3gab h GLU 543 CO -0.00 0.83 -0.06 1.25 -1.40 0.00 0.00 179.01 179.64 3gab h LEU 544 N 0.98 -0.13 -0.65 1.33 5.85 -1.37 -0.90 115.31 120.41 3gab h LEU 544 Ca 0.23 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.87 3gab h LEU 544 Cb 0.17 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3gab h LEU 544 CO -0.02 0.15 0.15 0.40 -0.34 0.00 0.00 178.44 178.78 3gab h ILE 545 N -0.42 0.60 -0.15 4.05 2.04 -1.16 0.13 117.51 122.60 3gab h ILE 545 Ca -0.02 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 3gab h ILE 545 Cb 0.34 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3gab h ILE 545 CO 0.03 0.05 -0.31 -0.08 0.00 0.00 0.00 178.15 177.83 3gab h GLU 546 N 0.28 0.30 -0.05 2.37 4.81 -1.28 -2.33 114.58 118.68 3gab h GLU 546 Ca 0.35 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.30 3gab h GLU 546 Cb 0.55 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3gab h GLU 546 CO -0.44 0.59 -0.70 1.49 -0.73 0.00 0.00 179.01 179.22 3gab h GLU 547 N 0.26 0.25 -0.14 1.92 4.81 0.41 -1.47 114.58 120.61 3gab h GLU 547 Ca 0.04 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 3gab h GLU 547 Cb 0.69 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3gab h GLU 547 CO 0.05 0.85 -0.18 0.82 -0.73 0.00 0.00 179.01 179.82 3gab h ILE 548 N 0.17 1.35 -0.26 2.32 2.04 -0.68 -2.35 117.51 120.10 3gab h ILE 548 Ca -0.02 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.51 3gab h ILE 548 Cb 1.25 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 3gab h ILE 548 CO 0.11 0.40 0.00 0.40 0.00 0.00 0.00 178.15 179.07 3gab h ILE 549 N -0.01 0.82 -0.76 -0.67 2.04 -1.42 -2.41 117.51 115.10 3gab h ILE 549 Ca 0.02 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.96 3gab h ILE 549 Cb 0.73 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3gab h ILE 549 CO 0.04 0.02 0.50 -0.61 0.00 0.00 0.00 178.15 178.10 3gab h GLN 550 N 0.09 0.61 -0.20 2.37 5.75 -1.19 0.52 115.11 123.04 3gab h GLN 550 Ca 0.13 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3gab h GLN 550 Cb 0.16 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3gab h GLN 550 CO -0.21 0.40 -0.21 0.37 -2.65 0.00 0.00 178.83 176.54 3gab h GLN 551 N 0.63 0.36 -0.08 1.69 5.75 -0.92 0.14 115.11 122.68 3gab h GLN 551 Ca 0.36 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.68 3gab h GLN 551 Cb 0.54 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3gab h GLN 551 CO -0.13 0.56 -0.21 0.28 -2.65 0.00 0.00 178.83 176.68 3gab h VAL 552 N 0.33 1.42 -0.58 2.39 2.07 -0.69 -2.20 116.25 118.98 3gab h VAL 552 Ca 0.06 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3gab h VAL 552 Cb 0.55 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 3gab h VAL 552 CO 0.04 0.44 0.35 -0.07 0.02 0.00 0.00 177.57 178.35 3gab h LEU 553 N -0.20 0.70 -1.01 2.57 3.38 -1.14 0.13 115.31 119.73 3gab h LEU 553 Ca -0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gab h LEU 553 Cb 0.82 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3gab h LEU 553 CO 0.04 0.55 0.67 0.44 0.09 0.00 0.00 178.44 180.23 3gab h ASP 554 N 0.78 1.14 0.70 -0.43 3.32 -0.74 -3.01 116.42 118.17 3gab h ASP 554 Ca 0.21 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.97 3gab h ASP 554 Cb -0.02 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3gab h ASP 554 CO -0.04 0.80 -1.21 0.28 -1.72 0.00 0.00 179.24 177.36 3gab h SER 555 N 1.33 0.33 0.00 6.45 0.02 -0.99 -3.47 113.55 117.22 3gab h SER 555 Ca 0.38 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3gab h SER 555 Cb -0.09 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3gab h SER 555 CO -0.10 1.28 0.00 0.29 -1.14 0.00 0.00 176.83 177.16 3gab n LYS 556 N -3.49 0.00 -3.75 3.45 5.02 0.40 -4.71 118.16 115.08 3gab n LYS 556 Ca -0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.98 3gab n LYS 556 Cb 1.01 -0.10 -0.17 0.00 -0.02 0.00 0.00 35.03 35.75 3gab n LYS 556 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3gab s ASN 557 N 0.00 1.85 -0.03 4.39 0.01 -1.26 -4.99 114.94 114.92 3gab s ASN 557 Ca 0.00 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.90 3gab s ASN 557 Cb 0.00 -0.45 0.02 0.00 0.41 0.00 0.00 41.25 41.23 3gab s ASN 557 CO 0.00 -0.22 0.05 -0.51 -1.51 0.00 0.00 177.10 174.91 3gab s ILE 558 N 1.96 -0.04 0.46 0.60 2.07 -1.26 -5.15 121.20 119.85 3gab s ILE 558 Ca 0.04 0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.24 3gab s ILE 558 Cb -0.13 -0.10 -0.09 0.00 0.13 0.00 0.00 42.46 42.27 3gab s ILE 558 CO -0.06 0.05 0.92 -0.62 -1.91 0.00 0.00 174.94 173.33 3gab s ASP 559 N 0.70 6.71 0.25 4.50 2.15 -1.26 -4.90 116.67 124.83 3gab s ASP 559 Ca -0.06 1.51 -0.05 0.00 0.43 0.00 0.00 52.55 54.38 3gab s ASP 559 Cb -0.08 -2.48 0.27 0.00 -0.30 0.00 0.00 42.92 40.34 3gab s ASP 559 CO -0.02 -0.46 1.89 -0.29 -0.17 0.00 0.00 175.17 176.12 3gab h ILE 560 N 1.32 1.25 -0.55 4.11 2.10 -1.98 0.40 117.51 124.16 3gab h ILE 560 Ca -0.48 -0.58 -0.01 0.00 1.08 0.00 0.00 64.86 64.88 3gab h ILE 560 Cb 1.18 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 3gab h ILE 560 CO 0.62 0.27 0.31 0.11 -1.08 0.00 0.00 178.15 178.38 3gab h LYS 561 N 1.24 0.75 -0.00 2.19 1.79 -1.99 0.40 116.57 120.94 3gab h LYS 561 Ca 0.32 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.63 3gab h LYS 561 Cb -0.02 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 30.48 3gab h LYS 561 CO -0.06 0.55 -0.34 -0.22 -1.08 0.00 0.00 179.45 178.31 3gab h LYS 562 N 0.76 0.24 -0.35 3.15 3.64 -1.76 -3.04 116.57 119.21 3gab h LYS 562 Ca 0.20 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3gab h LYS 562 Cb 0.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3gab h LYS 562 CO -0.03 0.96 0.16 1.25 -2.27 0.00 0.00 179.45 179.52 3gab h LEU 563 N -0.39 0.22 -0.51 5.20 5.85 -0.74 0.15 115.31 125.08 3gab h LEU 563 Ca -0.04 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3gab h LEU 563 Cb 1.08 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3gab h LEU 563 CO 0.07 0.17 0.12 0.03 -0.34 0.00 0.00 178.44 178.49 3gab h ARG 564 N 0.33 0.26 -0.19 1.25 3.08 -1.02 0.35 114.38 118.45 3gab h ARG 564 Ca 0.15 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3gab h ARG 564 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3gab h ARG 564 CO -0.12 0.17 0.03 1.49 -1.07 0.00 0.00 179.97 180.47 3gab h GLU 565 N 0.27 0.32 -0.68 0.04 4.81 -1.31 -0.93 114.58 117.10 3gab h GLU 565 Ca 0.25 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3gab h GLU 565 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3gab h GLU 565 CO -0.31 0.48 0.35 0.93 -0.73 0.00 0.00 179.01 179.73 3gab h GLU 566 N 0.10 0.96 -0.41 1.92 4.39 -0.30 -1.43 114.58 119.81 3gab h GLU 566 Ca 0.06 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3gab h GLU 566 Cb 0.32 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3gab h GLU 566 CO 0.00 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 3gab h ALA 567 N 1.17 0.55 -0.80 3.43 0.00 -0.26 -1.48 119.26 121.88 3gab h ALA 567 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gab h ALA 567 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3gab h ALA 567 CO -0.03 0.33 0.44 0.00 0.00 0.00 0.00 179.25 179.99 3gab h ALA 568 N 0.89 1.27 -0.37 0.00 0.00 -0.97 -1.73 119.26 118.35 3gab h ALA 568 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gab h ALA 568 Cb 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gab h ALA 568 CO 0.02 0.59 0.08 0.82 0.00 0.00 0.00 179.25 180.77 3gab h ILE 569 N 1.11 1.23 -0.20 0.00 2.04 -1.03 -1.24 117.51 119.42 3gab h ILE 569 Ca 0.28 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.38 3gab h ILE 569 Cb 0.02 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3gab h ILE 569 CO -0.05 0.27 0.14 0.24 0.00 0.00 0.00 178.15 178.75 3gab h MET 570 N 0.46 0.16 0.00 2.37 2.86 -0.84 -0.33 114.93 119.61 3gab h MET 570 Ca 0.12 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3gab h MET 570 Cb 0.32 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3gab h MET 570 CO 0.00 0.10 -0.62 0.52 1.06 0.00 0.00 176.91 177.97 3gab h MET 571 N 0.16 0.00 0.00 1.72 2.86 -0.89 -3.19 114.93 115.59 3gab h MET 571 Ca 0.09 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 3gab h MET 571 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3gab h MET 571 CO -0.01 0.62 -0.67 0.77 1.06 0.00 0.00 176.91 178.68 3gab h SER 572 N 0.00 0.00 1.62 1.22 0.02 0.12 -3.14 113.55 113.40 3gab h SER 572 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3gab h SER 572 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3gab h SER 572 CO 0.08 0.67 0.00 0.00 -1.14 0.00 0.00 176.83 176.44 3gab n LYS 574 N -2.82 3.56 0.00 0.00 5.02 -1.19 -5.13 118.16 117.60 3gab n LYS 574 Ca 0.04 -4.18 0.00 0.00 -2.02 0.00 0.00 58.31 52.15 3gab n LYS 574 Cb 0.45 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 3gab n LYS 574 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gab n ASN 580 N 3.77 0.00 -4.61 4.39 3.02 -1.26 -5.08 115.26 115.49 3gab n ASN 580 Ca 0.30 -1.22 -0.39 0.00 -0.03 0.00 0.00 54.58 53.25 3gab n ASN 580 Cb 0.40 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 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 2.43 4.01 -0.02 3.52 3.52 -1.26 -4.81 118.95 126.34 3gab s ARG 581 Ca 0.00 -0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.28 3gab s ARG 581 Cb 0.00 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3gab s ARG 581 CO 0.00 -0.24 1.23 -1.01 -0.81 0.00 0.00 175.30 174.47 3gab s HIS 582 N 1.96 3.19 -0.07 5.12 3.76 -1.26 -4.83 115.29 123.16 3gab s HIS 582 Ca 0.14 1.18 -0.04 0.00 -0.15 0.00 0.00 55.06 56.18 3gab s HIS 582 Cb -0.16 -3.45 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 3gab s HIS 582 CO 0.10 -1.46 0.11 -0.51 -0.85 0.00 0.00 174.74 172.13 3gab s LEU 583 N 2.01 4.13 0.94 0.89 1.43 -1.26 -5.10 118.68 121.72 3gab s LEU 583 Ca 0.58 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3gab s LEU 583 Cb -0.27 -2.17 0.15 0.00 0.03 0.00 0.00 46.19 43.93 3gab s LEU 583 CO 0.24 0.35 1.12 -0.13 0.23 0.00 0.00 176.35 178.15 3gab s ARG 584 N -1.33 0.93 0.33 1.70 0.52 -1.26 -4.73 118.95 115.10 3gab s ARG 584 Ca 0.19 0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.89 3gab s ARG 584 Cb -0.12 -1.80 0.60 0.00 0.52 0.00 0.00 34.95 34.14 3gab s ARG 584 CO 0.09 -2.37 1.80 -0.91 0.02 0.00 0.00 175.30 173.93 3gab h ASN 585 N -1.63 0.28 -0.42 0.23 4.21 -1.98 -1.52 115.58 114.75 3gab h ASN 585 Ca -0.52 -0.08 -0.09 0.00 1.21 0.00 0.00 56.30 56.81 3gab h ASN 585 Cb 1.33 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.44 3gab h ASN 585 CO 0.60 0.54 -0.11 -2.24 -1.29 0.00 0.00 177.43 174.93 3gab h ASP 586 N 0.25 0.82 -0.68 5.81 3.04 -1.99 -0.50 116.42 123.18 3gab h ASP 586 Ca 0.04 -0.37 -0.00 0.00 -3.24 0.00 0.00 57.03 53.46 3gab h ASP 586 Cb 0.58 -0.22 -0.03 0.00 -1.04 0.00 0.00 39.33 38.62 3gab h ASP 586 CO 0.04 1.00 0.43 -0.33 -2.04 0.00 0.00 179.24 178.33 3gab h GLU 587 N 0.63 0.91 -0.41 4.15 5.08 -1.85 -1.15 114.58 121.95 3gab h GLU 587 Ca 0.10 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3gab h GLU 587 Cb 0.64 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3gab h GLU 587 CO 0.04 0.63 -0.28 0.82 -1.00 0.00 0.00 179.01 179.22 3gab h ILE 588 N 0.93 1.28 -0.18 3.13 2.04 -1.00 -1.07 117.51 122.64 3gab h ILE 588 Ca 0.25 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3gab h ILE 588 Cb -0.06 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3gab h ILE 588 CO -0.05 0.48 0.11 0.50 0.00 0.00 0.00 178.15 179.20 3gab h LYS 589 N 0.73 0.24 -0.88 2.37 1.63 -0.57 0.03 116.57 120.11 3gab h LYS 589 Ca 0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3gab h LYS 589 Cb 0.86 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.39 3gab h LYS 589 CO 0.08 0.18 0.52 0.00 -3.45 0.00 0.00 179.45 176.78 3gab h ALA 590 N 1.04 1.12 -0.25 5.00 0.00 -1.18 -1.00 119.26 123.99 3gab h ALA 590 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gab h ALA 590 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3gab h ALA 590 CO -0.01 0.59 0.12 1.25 0.00 0.00 0.00 179.25 181.20 3gab h LEU 591 N 1.21 0.32 -1.15 0.00 6.46 -0.83 -1.46 115.31 119.87 3gab h LEU 591 Ca 0.31 -0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.87 3gab h LEU 591 Cb -0.03 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3gab h LEU 591 CO -0.06 0.36 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.84 3gab h LEU 592 N 0.27 0.33 -0.01 2.25 3.38 -0.73 -0.38 115.31 120.42 3gab h LEU 592 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gab h LEU 592 Cb 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3gab h LEU 592 CO -0.01 0.56 0.00 0.44 0.09 0.00 0.00 178.44 179.52 3gab h ASP 593 N 0.31 0.02 -0.84 -0.43 3.32 -1.02 -0.83 116.42 116.96 3gab h ASP 593 Ca 0.05 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3gab h ASP 593 Cb 0.55 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 3gab h ASP 593 CO 0.04 0.30 0.55 0.44 -1.72 0.00 0.00 179.24 178.85 3gab h ASP 594 N -0.25 0.90 -0.36 6.45 3.32 -0.95 -2.33 116.42 123.20 3gab h ASP 594 Ca 0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3gab h ASP 594 Cb 0.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3gab h ASP 594 CO 0.00 0.63 -0.04 0.25 -1.72 0.00 0.00 179.24 178.36 3gab h LEU 595 N 1.05 0.65 -2.40 1.55 5.85 -0.95 -2.97 115.31 118.10 3gab h LEU 595 Ca 0.33 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3gab h LEU 595 Cb 0.01 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 3gab h LEU 595 CO -0.09 0.83 0.13 -0.09 -0.34 0.00 0.00 178.44 178.88 3gab h ARG 596 N 0.46 0.00 0.00 1.25 2.43 -0.59 -1.88 114.38 116.05 3gab h ARG 596 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3gab h ARG 596 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3gab h ARG 596 CO 0.03 0.00 -0.67 -1.13 -1.51 0.00 0.00 179.97 176.69 3gab n SER 597 N -3.62 0.66 -4.76 -3.80 3.41 -1.10 -4.57 113.62 99.84 3gab n SER 597 Ca -0.01 0.04 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 3gab n SER 597 Cb 0.23 0.26 0.07 0.00 -0.26 0.00 0.00 64.21 64.51 3gab n SER 597 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gab s THR 598 N -3.15 3.18 0.25 6.66 -4.23 -0.71 -4.94 115.64 112.70 3gab s THR 598 Ca 0.06 0.47 0.21 0.00 -1.18 0.00 0.00 61.69 61.26 3gab s THR 598 Cb 0.14 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 71.20 3gab s THR 598 CO 0.73 -0.41 1.85 0.28 -0.54 0.00 0.00 174.62 176.53 3gab h SER 599 N -0.52 0.00 -2.52 3.99 0.02 -1.91 -3.35 113.55 109.26 3gab h SER 599 Ca -0.45 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 3gab h SER 599 Cb 1.24 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.40 3gab h SER 599 CO 0.52 0.28 -0.90 -0.62 -1.14 0.00 0.00 176.83 174.97 3gab s ASP 600 N -6.39 2.08 0.42 3.07 -1.08 -1.26 -4.98 116.67 108.54 3gab s ASP 600 Ca -0.01 -3.12 0.23 0.00 -0.52 0.00 0.00 52.55 49.13 3gab s ASP 600 Cb 0.12 -0.63 0.81 0.00 -1.46 0.00 0.00 42.92 41.76 3gab s ASP 600 CO 0.66 -0.17 1.78 -0.65 0.52 0.00 0.00 175.17 177.31 3gab h PRO 601 N 5.72 0.00 0.00 4.34 0.11 -1.80 -3.29 132.00 137.09 3gab h PRO 601 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3gab h PRO 601 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gab h PRO 601 CO 0.42 0.25 -0.97 0.74 -0.21 0.00 0.00 178.00 178.23 3gab h PHE 602 N 0.00 0.00 -4.25 0.65 0.04 -1.93 -3.43 116.94 108.02 3gab h PHE 602 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 3gab h PHE 602 Cb 0.82 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 38.69 3gab h PHE 602 CO 0.00 0.00 -0.82 0.99 -0.60 0.00 0.00 178.31 177.88 3gab s THR 603 N -3.36 1.30 0.69 -1.55 2.01 -1.24 -0.60 115.64 112.89 3gab s THR 603 Ca -0.00 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 3gab s THR 603 Cb 0.09 -1.09 0.04 0.00 0.01 0.00 0.00 72.50 71.55 3gab s THR 603 CO 0.79 0.32 1.03 0.00 -0.69 0.00 0.00 174.62 176.07 3gab n PRO 605 N -2.92 0.05 -0.00 0.00 -0.02 -1.26 -0.79 135.00 130.06 3gab n PRO 605 Ca 0.07 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3gab n PRO 605 Cb 0.59 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.74 0.00 0.00 6.00 8.25 -1.26 -4.98 115.22 121.49 3gab n HIS 606 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3gab n HIS 606 Cb 0.13 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.69 3.74 -1.41 0.00 0.03 -5.09 105.19 104.58 3gab n GLY 607 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.77 4.68 0.37 1.61 0.52 -1.26 -4.76 118.95 119.35 3gab s ARG 608 Ca 0.00 1.36 -0.28 0.00 -0.52 0.00 0.00 55.73 56.29 3gab s ARG 608 Cb 0.00 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 3gab s ARG 608 CO 0.00 0.32 1.50 -2.30 0.02 0.00 0.00 175.30 174.84 3gab n PRO 609 N 2.42 2.69 -0.09 3.54 -0.02 -1.26 -0.88 135.00 141.41 3gab n PRO 609 Ca -0.00 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3gab n PRO 609 Cb 0.49 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3gab n PRO 609 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gab n ILE 610 N 0.56 1.16 -3.96 4.25 5.41 0.23 -4.83 119.36 122.17 3gab n ILE 610 Ca 0.02 -0.56 -0.30 0.00 1.00 0.00 0.00 62.75 62.91 3gab n ILE 610 Cb 0.39 -0.94 -0.16 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.41 1.45 -0.08 1.39 1.01 -1.26 -1.85 121.20 119.45 3gab s ILE 611 Ca -0.19 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 3gab s ILE 611 Cb 0.06 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3gab s ILE 611 CO 0.56 0.17 0.22 -0.63 0.00 0.00 0.00 174.94 175.27 3gab s ILE 612 N 1.48 5.36 -0.06 2.92 -1.09 0.84 -4.93 121.20 125.72 3gab s ILE 612 Ca -0.00 0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 3gab s ILE 612 Cb -0.16 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3gab s ILE 612 CO -0.08 0.61 -0.13 -2.28 -1.23 0.00 0.00 174.94 171.82 3gab s HIS 613 N -1.03 1.48 -0.33 3.97 5.65 -1.26 -0.15 115.29 123.63 3gab s HIS 613 Ca 0.18 -0.53 0.02 0.00 0.25 0.00 0.00 55.06 54.98 3gab s HIS 613 Cb -0.13 -1.07 0.09 0.00 -1.18 0.00 0.00 32.58 30.28 3gab s HIS 613 CO 0.07 -0.26 0.04 -1.01 -0.65 0.00 0.00 174.74 172.93 3gab s HIS 614 N 0.55 3.61 1.05 3.88 3.76 0.10 -4.99 115.29 123.25 3gab s HIS 614 Ca -0.13 -2.71 -0.12 0.00 -0.15 0.00 0.00 55.06 51.96 3gab s HIS 614 Cb -0.15 -2.72 0.22 0.00 1.11 0.00 0.00 32.58 31.04 3gab s HIS 614 CO 0.04 -0.93 1.07 -1.54 -0.85 0.00 0.00 174.74 172.53 3gab s SER 615 N 1.10 1.90 0.23 1.40 1.04 -1.26 -0.88 113.70 117.24 3gab s SER 615 Ca 0.05 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.10 3gab s SER 615 Cb -0.20 -2.34 0.40 0.00 0.10 0.00 0.00 66.02 63.98 3gab s SER 615 CO -0.06 -3.66 1.68 0.74 0.98 0.00 0.00 173.24 172.92 3gab h THR 616 N -2.25 0.51 0.59 2.02 2.02 -1.62 -1.83 112.91 112.35 3gab h THR 616 Ca -0.55 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3gab h THR 616 Cb 1.31 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3gab h THR 616 CO 0.49 0.04 -0.28 0.22 0.37 0.00 0.00 175.52 176.35 3gab h TYR 617 N 0.21 -0.73 -0.49 3.16 3.20 -1.90 -1.60 116.97 118.82 3gab h TYR 617 Ca 0.38 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.38 3gab h TYR 617 Cb 0.64 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3gab h TYR 617 CO -0.30 -0.40 0.42 0.93 -1.64 0.00 0.00 178.16 177.17 3gab h GLU 618 N -0.94 0.00 0.13 1.82 5.08 -1.84 0.32 114.58 119.16 3gab h GLU 618 Ca -0.08 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3gab h GLU 618 Cb 0.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.92 3gab h GLU 618 CO 0.13 0.00 -0.86 0.52 -1.00 0.00 0.00 179.01 177.81 3gab h MET 619 N 0.00 0.28 -1.01 2.33 2.86 -1.18 -3.01 114.93 115.20 3gab h MET 619 Ca 0.23 -0.47 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 3gab h MET 619 Cb 1.08 0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.85 3gab h MET 619 CO -0.00 1.23 0.65 0.93 1.06 0.00 0.00 176.91 180.78 3gab h GLU 620 N -0.40 1.17 0.36 1.72 5.08 -0.15 -2.86 114.58 119.50 3gab h GLU 620 Ca -0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gab h GLU 620 Cb 1.63 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 3gab h GLU 620 CO 0.13 0.77 -0.43 -0.22 -1.00 0.00 0.00 179.01 178.26 3gab h LYS 621 N 1.20 -0.80 0.00 2.33 3.64 -0.48 -1.76 116.57 120.71 3gab h LYS 621 Ca 0.43 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3gab h LYS 621 Cb 0.13 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3gab h LYS 621 CO -0.16 -0.53 0.00 0.00 -2.27 0.00 0.00 179.45 176.49 3gab h MET 622 N -0.83 0.00 -0.01 1.90 -0.00 -1.37 -0.89 114.93 113.74 3gab h MET 622 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 3gab h MET 622 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 3gab h MET 622 CO -0.11 0.00 -0.75 1.19 -0.00 0.00 0.00 176.91 177.24 3gab n PHE 623 N -2.41 0.00 0.96 -0.10 3.72 -0.86 -5.12 117.46 113.65 3gab n PHE 623 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3gab n PHE 623 Cb 0.08 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.72 3gab n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34