#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1a h SER 475 N 0.00 0.66 0.01 1.61 0.87 -1.93 -2.37 113.55 112.41 3a1a h SER 475 Ca 0.00 -0.40 -0.25 0.00 -1.23 0.00 0.00 61.79 59.90 3a1a h SER 475 Cb 0.00 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3a1a h SER 475 CO 0.00 1.15 -0.99 -0.09 -0.53 0.00 0.00 176.83 176.37 3a1a h ARG 476 N 0.41 0.65 -0.23 2.24 2.43 -1.81 -1.25 114.38 116.82 3a1a h ARG 476 Ca -0.02 -0.72 0.04 0.00 -0.81 0.00 0.00 59.98 58.47 3a1a h ARG 476 Cb 1.25 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.97 3a1a h ARG 476 CO 0.13 1.30 -0.02 1.49 -1.51 0.00 0.00 179.97 181.36 3a1a h GLU 477 N 0.30 0.05 -0.47 0.20 4.81 -1.95 -1.03 114.58 116.49 3a1a h GLU 477 Ca -0.13 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3a1a h GLU 477 Cb 1.66 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3a1a h GLU 477 CO 0.19 0.03 -0.19 0.07 -0.73 0.00 0.00 179.01 178.39 3a1a h ARG 478 N 0.05 0.94 -0.47 1.92 0.11 -1.35 -0.73 114.38 114.84 3a1a h ARG 478 Ca 0.11 -0.38 -0.12 0.00 0.10 0.00 0.00 59.98 59.68 3a1a h ARG 478 Cb 0.15 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3a1a h ARG 478 CO -0.20 1.05 -0.19 -0.07 0.10 0.00 0.00 179.97 180.66 3a1a h LEU 479 N 0.82 0.96 -1.23 0.08 3.38 -1.08 -1.86 115.31 116.38 3a1a h LEU 479 Ca 0.11 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3a1a h LEU 479 Cb 0.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3a1a h LEU 479 CO 0.06 1.12 -0.29 0.58 0.09 0.00 0.00 178.44 180.00 3a1a h VAL 480 N 0.82 1.24 -0.30 1.22 2.07 -1.03 -1.18 116.25 119.10 3a1a h VAL 480 Ca 0.11 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 3a1a h VAL 480 Cb 0.75 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3a1a h VAL 480 CO 0.06 0.34 -0.25 1.88 0.02 0.00 0.00 177.57 179.62 3a1a h TYR 481 N 0.14 0.65 0.00 1.57 -1.99 -0.61 -2.40 116.97 114.33 3a1a h TYR 481 Ca 0.02 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.55 3a1a h TYR 481 Cb 0.59 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 3a1a h TYR 481 CO 0.01 0.77 -0.62 1.05 -0.00 0.00 0.00 178.16 179.36 3a1a h GLU 482 N 0.51 0.00 -0.08 4.88 4.11 -0.99 -2.16 114.58 120.85 3a1a h GLU 482 Ca 0.07 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.53 3a1a h GLU 482 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3a1a h GLU 482 CO 0.05 0.20 -0.13 0.28 0.07 0.00 0.00 179.01 179.48 3a1a h VAL 483 N 0.00 0.65 -0.33 -1.06 2.07 -1.05 0.26 116.25 116.79 3a1a h VAL 483 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3a1a h VAL 483 Cb 1.22 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3a1a h VAL 483 CO 0.03 0.00 -0.01 -0.09 0.02 0.00 0.00 177.57 177.51 3a1a h ARG 484 N -0.19 0.51 -0.00 1.57 2.43 -1.39 -0.24 114.38 117.07 3a1a h ARG 484 Ca 0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a1a h ARG 484 Cb 0.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a1a h ARG 484 CO -0.19 0.55 -0.00 1.04 -1.51 0.00 0.00 179.97 179.86 3a1a n GLN 485 N -4.27 1.07 -2.08 0.20 1.13 -0.82 -4.91 117.38 107.70 3a1a n GLN 485 Ca 0.01 -0.18 -0.15 0.00 -1.94 0.00 0.00 57.00 54.75 3a1a n GLN 485 Cb 0.25 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 3a1a n GLN 485 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3a1a n LYS 486 N -0.81 -1.13 0.00 -1.09 5.02 -0.10 -4.89 118.16 115.15 3a1a n LYS 486 Ca 0.22 0.78 0.11 0.00 -2.02 0.00 0.00 58.31 57.41 3a1a n LYS 486 Cb 0.17 -5.05 0.14 0.00 -0.02 0.00 0.00 35.03 30.26 3a1a n LYS 486 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a1a s ARG 488 N -3.00 0.52 0.01 0.00 3.52 -0.99 -4.94 118.95 114.07 3a1a s ARG 488 Ca 0.10 0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.57 3a1a s ARG 488 Cb 0.17 0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.75 3a1a s ARG 488 CO 0.75 -0.12 0.68 -0.80 -0.81 0.00 0.00 175.30 175.01 3a1a s ASN 489 N -0.63 7.08 0.57 -2.12 -0.87 -1.26 -4.11 114.94 113.60 3a1a s ASN 489 Ca -0.07 1.29 0.31 0.00 -1.57 0.00 0.00 52.86 52.82 3a1a s ASN 489 Cb -0.04 -2.42 1.71 0.00 -0.02 0.00 0.00 41.25 40.49 3a1a s ASN 489 CO 0.02 0.05 2.17 -0.29 -2.57 0.00 0.00 177.10 176.48 3a1a h ILE 490 N 4.17 0.44 0.00 0.60 2.10 -1.94 -1.36 117.51 121.52 3a1a h ILE 490 Ca -0.44 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.22 3a1a h ILE 490 Cb 1.20 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3a1a h ILE 490 CO 0.71 0.06 0.00 -0.62 -1.08 0.00 0.00 178.15 177.21 3a1a n GLU 491 N -3.60 0.15 0.00 2.19 1.02 -1.26 -2.48 120.64 116.67 3a1a n GLU 491 Ca -0.02 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.58 3a1a n GLU 491 Cb 0.17 -1.77 0.16 0.00 -0.02 0.00 0.00 31.44 29.98 3a1a n GLU 491 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3a1a n ASP 492 N -2.05 2.33 -4.42 1.62 8.00 -0.51 -3.37 116.55 118.15 3a1a n ASP 492 Ca 0.03 -1.69 -0.29 0.00 0.71 0.00 0.00 54.79 53.55 3a1a n ASP 492 Cb 0.24 0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 3a1a n ASP 492 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3a1a s ILE 493 N -2.18 2.42 -0.46 0.53 -4.36 -1.03 -4.66 121.20 111.45 3a1a s ILE 493 Ca 0.26 -1.67 -0.29 0.00 -0.26 0.00 0.00 60.65 58.69 3a1a s ILE 493 Cb 0.20 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.85 3a1a s ILE 493 CO 0.40 0.10 1.25 0.00 0.24 0.00 0.00 174.94 176.94 3a1a n ILE 495 N 6.94 0.87 -0.05 0.00 -5.35 -0.89 0.36 119.36 121.24 3a1a n ILE 495 Ca 0.14 0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.70 3a1a n ILE 495 Cb 0.49 -1.08 -0.12 0.00 -1.74 0.00 0.00 39.64 37.19 3a1a n ILE 495 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3a1a h SER 496 N 0.00 -0.00 0.00 7.28 0.02 -1.81 -3.44 113.55 115.60 3a1a h SER 496 Ca 0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 3a1a h SER 496 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3a1a h SER 496 CO 0.00 0.87 -0.29 0.00 -1.14 0.00 0.00 176.83 176.26 3a1a n GLY 498 N 1.23 0.63 3.76 0.00 0.00 0.16 -4.45 105.19 106.51 3a1a n GLY 498 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3a1a n GLY 498 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a1a s SER 499 N -2.03 5.72 0.00 1.61 0.15 -1.26 -4.61 113.70 113.28 3a1a s SER 499 Ca 0.00 2.91 0.27 0.00 0.70 0.00 0.00 55.95 59.83 3a1a s SER 499 Cb 0.00 -2.65 0.84 0.00 -1.71 0.00 0.00 66.02 62.50 3a1a s SER 499 CO 0.00 -1.28 1.62 0.18 1.20 0.00 0.00 173.24 174.96 3a1a n LEU 500 N -0.38 1.80 -3.50 3.45 4.77 -1.26 -0.41 117.00 121.47 3a1a n LEU 500 Ca 0.06 -0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 3a1a n LEU 500 Cb 0.42 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3a1a n LEU 500 CO 0.58 0.30 2.28 0.59 -1.33 0.00 0.00 177.39 179.81 3a1a n ASN 501 N 0.38 7.95 -4.71 -1.43 3.02 -1.26 -4.89 115.26 114.33 3a1a n ASN 501 Ca 0.17 -3.21 -0.42 0.00 -0.03 0.00 0.00 54.58 51.09 3a1a n ASN 501 Cb 0.41 -1.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 3a1a n ASN 501 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a1a s VAL 502 N -1.54 3.18 -0.33 2.41 1.01 -1.26 -4.43 120.40 119.45 3a1a s VAL 502 Ca 0.52 0.79 0.06 0.00 0.00 0.00 0.00 61.98 63.35 3a1a s VAL 502 Cb 0.18 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 3a1a s VAL 502 CO -0.10 0.04 0.29 0.41 0.00 0.00 0.00 175.10 175.74 3a1a n THR 503 N 4.17 0.00 -3.51 3.92 -1.04 -0.13 -4.95 114.28 112.74 3a1a n THR 503 Ca 0.13 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.05 61.67 3a1a n THR 503 Cb 0.41 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 69.91 3a1a n THR 503 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3a1a s LEU 504 N -2.13 -0.38 -0.09 -4.42 2.96 -0.96 -5.00 118.68 108.66 3a1a s LEU 504 Ca 0.03 0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.78 3a1a s LEU 504 Cb 0.05 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.74 3a1a s LEU 504 CO 0.23 -0.59 0.72 -1.61 -1.32 0.00 0.00 176.35 173.77 3a1a s GLU 505 N -2.80 4.41 0.18 1.98 2.02 -1.26 -1.23 118.70 121.99 3a1a s GLU 505 Ca 0.03 0.89 -0.33 0.00 0.02 0.00 0.00 54.97 55.58 3a1a s GLU 505 Cb -0.01 -3.47 -0.13 0.00 0.10 0.00 0.00 34.13 30.62 3a1a s GLU 505 CO -0.07 -0.01 1.63 1.58 0.02 0.00 0.00 175.26 178.41 3a1a n HIS 506 N 4.06 2.44 0.24 1.61 -0.00 0.02 -4.82 115.22 118.76 3a1a n HIS 506 Ca -0.00 0.19 0.13 0.00 -0.00 0.00 0.00 57.72 58.04 3a1a n HIS 506 Cb 0.51 -2.59 0.41 0.00 -0.00 0.00 0.00 29.99 28.32 3a1a n HIS 506 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3a1a h PRO 507 N 6.25 0.00 0.00 1.57 0.13 -1.92 -3.30 132.00 134.73 3a1a h PRO 507 Ca -0.44 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 3a1a h PRO 507 Cb 1.24 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.30 3a1a h PRO 507 CO 0.91 0.06 -2.40 1.28 -0.23 0.00 0.00 178.00 177.62 3a1a n LEU 508 N -3.14 0.76 -4.12 1.56 4.77 -1.26 -4.54 117.00 111.03 3a1a n LEU 508 Ca 0.02 -0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 3a1a n LEU 508 Cb 0.44 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 3a1a n LEU 508 CO 0.32 0.61 -0.42 -0.36 -1.33 0.00 0.00 177.39 176.21 3a1a s PHE 509 N -2.50 0.89 0.04 -1.77 0.08 -1.24 -1.14 117.98 112.34 3a1a s PHE 509 Ca -0.16 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 3a1a s PHE 509 Cb 0.07 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.93 3a1a s PHE 509 CO 0.77 -0.04 1.69 0.08 -0.10 0.00 0.00 175.22 177.63 3a1a s VAL 510 N -1.66 3.12 0.00 -0.44 1.01 -0.27 -4.24 120.40 117.91 3a1a s VAL 510 Ca -0.04 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3a1a s VAL 510 Cb -0.08 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3a1a s VAL 510 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3a1a n GLY 511 N 4.08 4.18 3.92 4.51 0.00 -1.26 -4.69 105.19 115.93 3a1a n GLY 511 Ca 0.17 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 3a1a n GLY 511 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a1a s GLY 512 N 0.00 1.70 -0.16 -0.02 0.00 -0.20 -0.80 107.32 107.84 3a1a s GLY 512 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 3a1a s GLY 512 CO 0.00 -0.34 0.40 -0.29 0.00 0.00 0.00 173.10 172.87 3a1a s MET 513 N -5.74 0.42 0.73 2.90 1.75 -0.36 -2.09 119.30 116.91 3a1a s MET 513 Ca 0.69 0.68 -0.08 0.00 -1.25 0.00 0.00 55.69 55.72 3a1a s MET 513 Cb -0.07 0.08 0.07 0.00 2.84 0.00 0.00 34.83 37.75 3a1a s MET 513 CO 0.51 -0.11 1.06 0.00 -0.65 0.00 0.00 175.02 175.83 3a1a h GLN 515 N -0.72 1.02 -0.70 0.00 1.08 -1.95 -0.52 115.11 113.32 3a1a h GLN 515 Ca -0.45 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 56.40 3a1a h GLN 515 Cb 1.32 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.64 3a1a h GLN 515 CO 0.62 1.05 0.45 -0.91 -0.95 0.00 0.00 178.83 179.09 3a1a h ASN 516 N 0.90 0.81 0.58 1.46 2.35 -1.95 -0.68 115.58 119.05 3a1a h ASN 516 Ca 0.15 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3a1a h ASN 516 Cb 0.63 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3a1a h ASN 516 CO 0.04 0.60 -0.52 0.00 -1.65 0.00 0.00 177.43 175.90 3a1a h LYS 518 N 0.00 0.56 -0.15 0.00 3.64 -0.16 0.29 116.57 120.74 3a1a h LYS 518 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3a1a h LYS 518 Cb 0.95 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3a1a h LYS 518 CO 0.07 0.42 0.02 -0.91 -2.27 0.00 0.00 179.45 176.77 3a1a h ASN 519 N 0.54 0.25 -0.44 4.20 4.21 -0.87 -0.19 115.58 123.28 3a1a h ASN 519 Ca 0.15 -0.28 0.08 0.00 1.21 0.00 0.00 56.30 57.47 3a1a h ASN 519 Cb 0.01 -0.07 -0.10 0.00 -1.12 0.00 0.00 38.32 37.04 3a1a h ASN 519 CO -0.03 0.46 -0.33 0.00 -1.29 0.00 0.00 177.43 176.24 3a1a h PHE 521 N -0.23 -0.19 -0.52 0.00 3.57 -0.75 0.16 116.94 118.97 3a1a h PHE 521 Ca 0.18 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3a1a h PHE 521 Cb 0.54 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 3a1a h PHE 521 CO -0.56 -0.14 0.30 -0.07 -2.23 0.00 0.00 178.31 175.61 3a1a h LEU 522 N -0.04 0.46 -0.36 0.59 3.38 -0.60 -0.45 115.31 118.29 3a1a h LEU 522 Ca 0.12 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3a1a h LEU 522 Cb 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3a1a h LEU 522 CO -0.26 0.32 -0.40 -0.33 0.09 0.00 0.00 178.44 177.86 3a1a h GLU 523 N 0.58 0.91 0.00 1.13 5.08 -0.37 -3.34 114.58 118.58 3a1a h GLU 523 Ca 0.22 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3a1a h GLU 523 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3a1a h GLU 523 CO -0.12 1.14 -0.93 0.00 -1.00 0.00 0.00 179.01 178.10 3a1a n ALA 525 N -2.08 2.45 -1.45 0.00 0.00 -0.19 -2.33 120.51 116.90 3a1a n ALA 525 Ca 0.01 0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 3a1a n ALA 525 Cb 0.52 -2.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 3a1a n ALA 525 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3a1a n TYR 526 N 4.65 0.00 -2.54 0.00 4.02 -1.26 -4.98 117.16 117.05 3a1a n TYR 526 Ca 0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.65 3a1a n TYR 526 Cb 0.35 -2.80 -0.04 0.00 -0.02 0.00 0.00 39.34 36.84 3a1a n TYR 526 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3a1a s GLN 527 N -3.28 4.55 0.03 -0.72 0.74 -0.99 -5.00 119.66 114.98 3a1a s GLN 527 Ca 0.00 1.66 0.06 0.00 0.05 0.00 0.00 55.36 57.13 3a1a s GLN 527 Cb 0.00 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 3a1a s GLN 527 CO 0.00 -0.04 -0.14 0.71 -0.55 0.00 0.00 175.29 175.27 3a1a s TYR 528 N 0.40 2.68 0.63 1.67 1.51 -1.26 -0.68 117.35 122.29 3a1a s TYR 528 Ca 0.53 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 56.33 3a1a s TYR 528 Cb -0.27 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 3a1a s TYR 528 CO 0.31 0.29 0.96 -0.51 -1.11 0.00 0.00 175.55 175.49 3a1a s ASP 529 N -1.42 5.52 0.32 2.29 1.11 -0.59 -4.74 116.67 119.16 3a1a s ASP 529 Ca 0.16 0.82 0.22 0.00 0.18 0.00 0.00 52.55 53.92 3a1a s ASP 529 Cb -0.11 -1.74 1.17 0.00 1.07 0.00 0.00 42.92 43.31 3a1a s ASP 529 CO 0.06 -1.16 1.66 -0.90 1.18 0.00 0.00 175.17 176.01 3a1a n ASP 530 N -2.71 0.56 0.00 0.27 5.68 -1.26 -0.75 116.55 118.34 3a1a n ASP 530 Ca 0.05 0.76 0.14 0.00 -0.50 0.00 0.00 54.79 55.25 3a1a n ASP 530 Cb 0.58 -0.83 0.80 0.00 -1.14 0.00 0.00 41.12 40.52 3a1a n ASP 530 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a1a n ASP 531 N -2.26 0.00 0.00 -1.12 5.68 -1.26 -4.91 116.55 112.68 3a1a n ASP 531 Ca -0.01 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 3a1a n ASP 531 Cb 0.04 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3a1a n ASP 531 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a1a n GLY 532 N 1.02 0.59 3.65 6.12 0.00 0.07 -5.04 105.19 111.60 3a1a n GLY 532 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3a1a n GLY 532 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a1a s TYR 533 N -2.27 2.73 0.57 1.61 2.02 -1.26 -4.92 117.35 115.82 3a1a s TYR 533 Ca 0.00 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 3a1a s TYR 533 Cb 0.00 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 3a1a s TYR 533 CO 0.00 0.60 1.35 -0.65 -1.57 0.00 0.00 175.55 175.28 3a1a s GLN 534 N -3.54 2.98 0.17 -0.62 -0.21 -0.03 -1.54 119.66 116.87 3a1a s GLN 534 Ca 0.31 2.22 -0.03 0.00 0.02 0.00 0.00 55.36 57.88 3a1a s GLN 534 Cb -0.07 -2.16 0.06 0.00 1.00 0.00 0.00 33.01 31.84 3a1a s GLN 534 CO 0.20 -1.31 1.44 0.77 -2.12 0.00 0.00 175.29 174.27 3a1a h SER 535 N 1.22 0.56 -4.57 5.90 0.02 -1.19 -3.42 113.55 112.07 3a1a h SER 535 Ca -0.51 -0.35 -0.70 0.00 -0.84 0.00 0.00 61.79 59.40 3a1a h SER 535 Cb 1.31 -0.17 -0.30 0.00 0.14 0.00 0.00 62.40 63.39 3a1a h SER 535 CO 0.56 1.08 -0.89 -0.31 -1.14 0.00 0.00 176.83 176.14 3a1a s TYR 536 N -3.75 2.31 0.07 3.45 2.02 -1.26 -4.93 117.35 115.26 3a1a s TYR 536 Ca -0.07 -0.43 -0.37 0.00 -0.37 0.00 0.00 57.07 55.83 3a1a s TYR 536 Cb 0.11 -1.48 -0.17 0.00 -0.40 0.00 0.00 41.96 40.02 3a1a s TYR 536 CO 0.85 -0.02 1.33 0.00 -1.57 0.00 0.00 175.55 176.13 3a1a h THR 538 N 3.34 0.33 0.02 0.00 2.02 -1.34 -0.51 112.91 116.76 3a1a h THR 538 Ca -0.48 -0.04 -0.38 0.00 0.77 0.00 0.00 66.41 66.29 3a1a h THR 538 Cb 1.34 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 3a1a h THR 538 CO 0.77 0.01 -2.12 -0.38 0.37 0.00 0.00 175.52 174.16 3a1a n ILE 539 N -3.54 1.56 0.46 3.11 5.41 -1.26 -4.74 119.36 120.36 3a1a n ILE 539 Ca -0.03 -0.36 0.05 0.00 1.00 0.00 0.00 62.75 63.41 3a1a n ILE 539 Cb 0.09 -1.82 -0.03 0.00 -0.71 0.00 0.00 39.64 37.17 3a1a n ILE 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a1a n GLY 542 N -0.63 3.69 0.00 0.00 0.00 -1.26 -4.59 105.19 102.40 3a1a n GLY 542 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3a1a n GLY 542 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1a n GLY 543 N 3.62 1.27 0.00 -0.02 0.00 -1.26 -1.22 105.19 107.57 3a1a n GLY 543 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3a1a n GLY 543 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1a n ARG 544 N 1.44 0.00 -2.02 1.61 5.12 -1.26 -4.89 116.66 116.66 3a1a n ARG 544 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3a1a n ARG 544 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 3a1a n ARG 544 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3a1a s GLU 545 N 0.00 4.25 0.06 5.56 2.12 -1.26 -5.01 118.70 124.42 3a1a s GLU 545 Ca 0.00 2.26 -0.04 0.00 0.36 0.00 0.00 54.97 57.55 3a1a s GLU 545 Cb 0.00 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 3a1a s GLU 545 CO 0.00 -0.54 0.07 0.14 -0.54 0.00 0.00 175.26 174.39 3a1a s VAL 546 N 1.05 0.17 0.00 3.70 -7.23 -1.26 -2.47 120.40 114.36 3a1a s VAL 546 Ca 0.67 -1.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.29 3a1a s VAL 546 Cb -0.41 -1.25 -0.06 0.00 0.56 0.00 0.00 36.38 35.22 3a1a s VAL 546 CO 0.32 -0.77 0.45 -0.76 -0.31 0.00 0.00 175.10 174.02 3a1a s LEU 547 N -2.62 4.47 -0.10 1.32 1.43 -0.08 -4.92 118.68 118.17 3a1a s LEU 547 Ca 0.02 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 3a1a s LEU 547 Cb 0.04 -2.66 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 3a1a s LEU 547 CO -0.08 0.28 -0.21 -0.04 0.23 0.00 0.00 176.35 176.53 3a1a s MET 548 N -0.91 3.03 0.11 1.70 -1.94 -1.26 -1.24 119.30 118.79 3a1a s MET 548 Ca 0.25 -0.83 -0.31 0.00 -1.71 0.00 0.00 55.69 53.09 3a1a s MET 548 Cb -0.17 -2.37 -0.07 0.00 2.01 0.00 0.00 34.83 34.23 3a1a s MET 548 CO 0.14 0.24 1.30 0.00 -0.01 0.00 0.00 175.02 176.69 3a1a n GLY 550 N 3.22 -0.70 3.58 0.00 0.00 0.50 -4.31 105.19 107.48 3a1a n GLY 550 Ca 0.10 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3a1a n GLY 550 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a1a s ASN 551 N -1.49 6.57 0.04 1.61 3.84 -1.26 -4.91 114.94 119.34 3a1a s ASN 551 Ca 0.25 0.29 0.15 0.00 0.21 0.00 0.00 52.86 53.77 3a1a s ASN 551 Cb 0.12 -2.48 0.66 0.00 -0.55 0.00 0.00 41.25 39.00 3a1a s ASN 551 CO 0.20 -1.07 1.49 0.59 -2.79 0.00 0.00 177.10 175.52 3a1a n ASN 552 N 7.26 0.10 -0.08 -4.21 3.02 -1.26 -0.29 115.26 119.80 3a1a n ASN 552 Ca 0.08 0.52 0.14 0.00 -0.03 0.00 0.00 54.58 55.30 3a1a n ASN 552 Cb 0.49 -0.55 0.67 0.00 -0.61 0.00 0.00 39.78 39.78 3a1a n ASN 552 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3a1a n ASN 553 N -1.61 0.32 0.02 6.41 4.13 -1.26 -4.60 115.26 118.66 3a1a n ASN 553 Ca 0.03 -0.47 -0.00 0.00 1.68 0.00 0.00 54.58 55.82 3a1a n ASN 553 Cb 0.17 -0.13 -0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3a1a n ASN 553 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a1a s ARG 556 N -3.25 3.14 0.09 0.00 0.52 -1.26 -0.85 118.95 117.33 3a1a s ARG 556 Ca 0.00 1.28 0.07 0.00 -0.52 0.00 0.00 55.73 56.55 3a1a s ARG 556 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 3a1a s ARG 556 CO 0.00 -0.96 -0.17 0.00 0.02 0.00 0.00 175.30 174.18 3a1a s PHE 558 N -1.22 2.03 0.76 0.00 0.40 -0.37 -0.84 117.98 118.73 3a1a s PHE 558 Ca 0.02 -1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 55.14 3a1a s PHE 558 Cb -0.10 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.98 3a1a s PHE 558 CO 0.03 -0.61 1.12 0.00 0.70 0.00 0.00 175.22 176.47 3a1a h VAL 560 N -0.82 1.41 -0.53 0.00 -1.51 -1.85 -2.68 116.25 110.28 3a1a h VAL 560 Ca -0.45 -2.05 -0.11 0.00 -1.23 0.00 0.00 66.70 62.85 3a1a h VAL 560 Cb 1.25 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 3a1a h VAL 560 CO 0.50 0.58 -0.12 -0.33 -1.23 0.00 0.00 177.57 176.98 3a1a h GLU 561 N 0.00 1.01 -0.50 5.19 3.07 -1.91 -1.28 114.58 120.16 3a1a h GLU 561 Ca -0.01 -0.38 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 3a1a h GLU 561 Cb 1.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3a1a h GLU 561 CO 0.08 1.07 0.07 0.00 -1.40 0.00 0.00 179.01 178.82 3a1a h VAL 563 N 0.71 1.04 -0.04 0.00 2.07 -1.31 0.27 116.25 118.98 3a1a h VAL 563 Ca 0.15 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3a1a h VAL 563 Cb 0.41 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3a1a h VAL 563 CO 0.01 0.11 -0.01 0.44 0.02 0.00 0.00 177.57 178.14 3a1a h ASP 564 N -0.32 0.04 0.00 0.57 3.32 -1.23 0.01 116.42 118.82 3a1a h ASP 564 Ca -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3a1a h ASP 564 Cb 0.27 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3a1a h ASP 564 CO 0.02 0.07 -0.00 0.25 -1.72 0.00 0.00 179.24 177.85 3a1a h LEU 565 N 0.05 -0.00 0.04 1.55 5.85 -0.94 -2.96 115.31 118.89 3a1a h LEU 565 Ca 0.01 -0.93 -0.32 0.00 0.84 0.00 0.00 57.88 57.48 3a1a h LEU 565 Cb 0.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3a1a h LEU 565 CO 0.00 0.94 -1.87 0.18 -0.34 0.00 0.00 178.44 177.35 3a1a n LEU 566 N -4.64 1.38 -0.08 2.25 4.77 0.06 -4.25 117.00 116.49 3a1a n LEU 566 Ca -0.10 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3a1a n LEU 566 Cb 0.45 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3a1a n LEU 566 CO 0.34 0.55 -0.17 0.58 -1.33 0.00 0.00 177.39 177.35 3a1a h VAL 567 N 0.02 0.79 0.00 4.08 2.07 -1.16 -0.19 116.25 121.86 3a1a h VAL 567 Ca -0.35 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3a1a h VAL 567 Cb 2.04 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3a1a h VAL 567 CO 0.07 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.54 3a1a n GLY 568 N 1.57 3.32 3.73 2.17 0.00 -1.04 -4.17 105.19 110.77 3a1a n GLY 568 Ca -0.16 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 3a1a n GLY 568 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a1a s PRO 569 N -2.26 4.13 0.00 1.61 0.02 -1.12 -1.93 135.00 135.46 3a1a s PRO 569 Ca 0.00 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3a1a s PRO 569 Cb 0.00 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3a1a s PRO 569 CO 0.00 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3a1a n GLY 570 N 3.47 0.12 0.18 0.52 0.00 -1.26 -4.95 105.19 103.26 3a1a n GLY 570 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3a1a n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1a h ALA 571 N 0.00 0.92 -0.06 4.61 0.00 -1.69 -3.00 119.26 120.04 3a1a h ALA 571 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3a1a h ALA 571 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a1a h ALA 571 CO 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3a1a h ALA 572 N 1.58 0.09 0.00 0.00 0.00 -1.85 -2.09 119.26 116.99 3a1a h ALA 572 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3a1a h ALA 572 Cb 1.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3a1a h ALA 572 CO 0.05 -0.21 -0.04 1.96 0.00 0.00 0.00 179.25 181.01 3a1a h GLN 573 N -0.20 0.00 -0.13 0.00 1.08 -1.94 -2.47 115.11 111.45 3a1a h GLN 573 Ca 0.02 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3a1a h GLN 573 Cb 0.38 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3a1a h GLN 573 CO 0.01 0.04 -0.58 0.00 -0.95 0.00 0.00 178.83 177.34 3a1a h ALA 574 N 1.96 0.25 -0.79 3.87 0.00 -1.50 -3.19 119.26 119.86 3a1a h ALA 574 Ca -0.00 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.49 3a1a h ALA 574 Cb 0.70 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3a1a h ALA 574 CO 0.01 0.49 0.52 0.00 0.00 0.00 0.00 179.25 180.26 3a1a h ALA 575 N 0.51 1.83 -0.93 0.00 0.00 -0.98 -3.52 119.26 116.18 3a1a h ALA 575 Ca -0.04 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 3a1a h ALA 575 Cb 1.22 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 3a1a h ALA 575 CO 0.12 -0.01 1.15 0.42 0.00 0.00 0.00 179.25 180.93 3a1a s ILE 576 N -5.62 3.70 0.00 0.00 1.01 -0.96 -5.09 121.20 114.23 3a1a s ILE 576 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3a1a s ILE 576 Cb 0.21 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 38.10 3a1a s ILE 576 CO 0.78 -1.48 0.00 1.87 0.00 0.00 0.00 174.94 176.10 3a1a n TRP 581 N 11.23 0.00 -3.37 3.97 -0.00 -1.26 -5.12 117.44 122.89 3a1a n TRP 581 Ca 0.36 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.49 3a1a n TRP 581 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 31.31 31.74 3a1a n TRP 581 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3a1a s ASN 582 N 0.00 6.67 1.12 5.87 0.01 -1.26 -0.37 114.94 126.97 3a1a s ASN 582 Ca 0.00 0.79 -0.13 0.00 -0.71 0.00 0.00 52.86 52.81 3a1a s ASN 582 Cb 0.00 -2.27 0.19 0.00 0.41 0.00 0.00 41.25 39.58 3a1a s ASN 582 CO 0.00 0.06 0.78 0.00 -1.51 0.00 0.00 177.10 176.43 3a1a h TYR 584 N -2.08 0.00 0.00 0.00 -1.99 -1.96 -0.20 116.97 110.74 3a1a h TYR 584 Ca -0.28 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.33 3a1a h TYR 584 Cb 0.82 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 3a1a h TYR 584 CO 0.00 0.21 -0.59 0.52 -0.00 0.00 0.00 178.16 178.30 3a1a h MET 585 N 0.00 0.00 0.00 4.88 2.86 -1.93 -3.35 114.93 117.38 3a1a h MET 585 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 3a1a h MET 585 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3a1a h MET 585 CO 0.03 0.59 -2.03 0.00 1.06 0.00 0.00 176.91 176.56 3a1a n GLY 587 N 1.47 -1.01 0.07 0.00 0.00 -0.13 -4.93 105.19 100.66 3a1a n GLY 587 Ca -0.16 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3a1a n GLY 587 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3a1a h HIS 588 N -0.87 0.10 -4.10 1.61 -0.00 -1.93 -3.43 115.15 106.53 3a1a h HIS 588 Ca -0.45 -0.01 -0.50 0.00 -0.00 0.00 0.00 60.37 59.41 3a1a h HIS 588 Cb 1.31 -0.03 0.07 0.00 -0.00 0.00 0.00 27.41 28.76 3a1a h HIS 588 CO 0.40 0.25 0.42 0.15 -0.00 0.00 0.00 177.93 179.16 3a1a s LYS 589 N -5.45 3.33 0.00 5.26 1.02 -1.26 -4.97 119.74 117.66 3a1a s LYS 589 Ca -0.14 1.56 0.14 0.00 0.02 0.00 0.00 55.97 57.55 3a1a s LYS 589 Cb 0.05 -2.01 -0.00 0.00 -0.52 0.00 0.00 37.83 35.35 3a1a s LYS 589 CO 0.68 -0.86 0.77 0.41 -0.92 0.00 0.00 175.35 175.43 3a1a n GLY 590 N 0.04 -0.09 3.20 -3.33 0.00 -1.26 -4.97 105.19 98.77 3a1a n GLY 590 Ca 0.11 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3a1a n GLY 590 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a1a s THR 591 N -1.67 2.42 -0.32 2.61 2.01 -1.26 0.05 115.64 119.48 3a1a s THR 591 Ca 0.11 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3a1a s THR 591 Cb 0.11 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.71 3a1a s THR 591 CO 0.34 0.52 0.14 -0.31 -0.69 0.00 0.00 174.62 174.62 3a1a s TYR 592 N 1.05 0.98 0.00 4.92 2.02 0.85 -5.02 117.35 122.15 3a1a s TYR 592 Ca -0.01 -1.42 0.00 0.00 -0.37 0.00 0.00 57.07 55.27 3a1a s TYR 592 Cb -0.14 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 3a1a s TYR 592 CO -0.05 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3a1a n GLY 593 N 4.76 3.25 0.09 0.71 0.00 -1.26 -1.27 105.19 111.47 3a1a n GLY 593 Ca -0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 3a1a n GLY 593 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a1a n LEU 594 N 0.00 0.43 -4.61 0.99 4.77 -0.10 -4.77 117.00 113.71 3a1a n LEU 594 Ca 0.00 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 3a1a n LEU 594 Cb 0.00 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3a1a n LEU 594 CO 0.00 0.08 0.73 -0.22 -1.33 0.00 0.00 177.39 176.65 3a1a s LEU 595 N -2.59 4.03 -0.14 2.23 2.96 -0.40 -4.94 118.68 119.82 3a1a s LEU 595 Ca 0.25 0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 3a1a s LEU 595 Cb 0.20 -3.23 0.03 0.00 0.50 0.00 0.00 46.19 43.68 3a1a s LEU 595 CO 0.50 -0.77 -0.09 0.00 -1.32 0.00 0.00 176.35 174.68 3a1a s ARG 596 N 3.30 1.71 0.27 1.98 1.70 -1.26 -0.10 118.95 126.55 3a1a s ARG 596 Ca 0.37 -0.45 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 3a1a s ARG 596 Cb -0.13 -1.90 -0.10 0.00 -0.57 0.00 0.00 34.95 32.26 3a1a s ARG 596 CO 0.16 -0.32 1.28 0.50 -1.08 0.00 0.00 175.30 175.83 3a1a s ARG 597 N 1.61 4.41 0.04 3.89 3.52 0.11 -1.11 118.95 131.42 3a1a s ARG 597 Ca 0.03 2.09 -0.26 0.00 -0.13 0.00 0.00 55.73 57.46 3a1a s ARG 597 Cb -0.14 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3a1a s ARG 597 CO -0.09 -0.15 0.81 1.03 -0.81 0.00 0.00 175.30 176.09 3a1a s ARG 598 N -1.07 4.53 0.35 5.12 0.52 -0.29 -4.83 118.95 123.27 3a1a s ARG 598 Ca 0.51 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.89 3a1a s ARG 598 Cb -0.37 -3.38 0.64 0.00 0.52 0.00 0.00 34.95 32.35 3a1a s ARG 598 CO 0.45 0.22 1.95 1.05 0.02 0.00 0.00 175.30 178.99 3a1a h GLU 599 N 5.88 0.68 -0.98 3.54 -0.00 -1.94 -1.90 114.58 119.85 3a1a h GLU 599 Ca -0.43 -0.08 -0.51 0.00 -0.00 0.00 0.00 59.36 58.33 3a1a h GLU 599 Cb 1.21 -0.13 -0.30 0.00 -0.00 0.00 0.00 28.75 29.52 3a1a h GLU 599 CO 0.72 0.54 0.64 -0.40 -0.00 0.00 0.00 179.01 180.51 3a1a n ASP 600 N -4.37 3.73 -0.22 3.06 5.75 -1.26 -4.74 116.55 118.49 3a1a n ASP 600 Ca 0.04 -3.62 0.01 0.00 -0.01 0.00 0.00 54.79 51.21 3a1a n ASP 600 Cb 0.13 -0.83 0.13 0.00 -1.03 0.00 0.00 41.12 39.52 3a1a n ASP 600 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 3a1a h TRP 601 N 1.00 0.48 -0.51 2.11 5.08 -1.58 -0.82 115.95 121.72 3a1a h TRP 601 Ca 0.63 0.03 0.05 0.00 1.08 0.00 0.00 58.89 60.68 3a1a h TRP 601 Cb 2.84 -0.11 -0.05 0.00 -3.00 0.00 0.00 29.16 28.83 3a1a h TRP 601 CO 1.58 0.13 0.24 -1.35 -1.28 0.00 0.00 178.44 177.76 3a1a h PRO 602 N 0.47 0.45 0.00 0.12 0.11 -1.86 -0.82 132.00 130.46 3a1a h PRO 602 Ca 0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3a1a h PRO 602 Cb 0.42 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3a1a h PRO 602 CO -0.31 0.30 0.00 0.66 -0.21 0.00 0.00 178.00 178.43 3a1a h SER 603 N 0.46 0.00 -0.10 -2.05 4.64 -1.86 -3.12 113.55 111.53 3a1a h SER 603 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 3a1a h SER 603 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3a1a h SER 603 CO -0.19 0.00 -0.66 0.03 -0.87 0.00 0.00 176.83 175.15 3a1a h ARG 604 N 0.00 0.72 -0.76 4.77 3.08 0.20 -2.66 114.38 119.73 3a1a h ARG 604 Ca 0.00 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3a1a h ARG 604 Cb 0.75 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 3a1a h ARG 604 CO 0.00 1.14 0.44 -0.07 -1.07 0.00 0.00 179.97 180.41 3a1a h LEU 605 N 0.52 0.93 -0.42 3.04 3.38 -1.25 0.38 115.31 121.90 3a1a h LEU 605 Ca -0.02 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3a1a h LEU 605 Cb 1.26 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 3a1a h LEU 605 CO 0.13 0.74 0.09 1.56 0.09 0.00 0.00 178.44 181.05 3a1a h GLN 606 N 1.05 0.22 0.09 1.13 1.08 -1.50 0.23 115.11 117.40 3a1a h GLN 606 Ca 0.27 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3a1a h GLN 606 Cb -0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3a1a h GLN 606 CO -0.05 0.14 -0.04 1.98 -0.95 0.00 0.00 178.83 179.91 3a1a h MET 607 N 0.22 -0.12 -0.23 1.46 4.05 -1.10 -3.25 114.93 115.96 3a1a h MET 607 Ca 0.21 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 3a1a h MET 607 Cb 0.25 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.01 3a1a h MET 607 CO -0.27 0.03 -0.54 0.35 0.23 0.00 0.00 176.91 176.72 3a1a h PHE 608 N -0.25 -1.62 0.00 1.39 3.57 0.17 -3.51 116.94 116.69 3a1a h PHE 608 Ca -0.01 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3a1a h PHE 608 Cb 0.20 0.74 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3a1a h PHE 608 CO -0.03 -0.51 0.00 1.19 -2.23 0.00 0.00 178.31 176.72