#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijb s GLU 501 N 0.00 0.16 0.71 4.33 2.02 -1.26 -5.07 118.70 119.59 1ijb s GLU 501 Ca 0.00 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 1ijb s GLU 501 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.32 1ijb s GLU 501 CO 0.00 -0.02 1.08 -1.25 0.02 0.00 0.00 175.26 175.09 1ijb s PRO 502 N 0.01 2.79 0.54 0.39 0.04 -1.26 -5.02 135.00 132.50 1ijb s PRO 502 Ca -0.01 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.47 1ijb s PRO 502 Cb -0.01 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1ijb s PRO 502 CO 0.00 -1.12 1.21 -1.25 0.04 0.00 0.00 177.00 175.88 1ijb s PRO 503 N -5.22 3.25 0.11 0.56 0.04 -1.26 -4.93 135.00 127.55 1ijb s PRO 503 Ca 0.58 1.85 0.23 0.00 0.04 0.00 0.00 61.00 63.70 1ijb s PRO 503 Cb -0.12 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1ijb s PRO 503 CO 0.53 -0.99 0.91 1.28 0.04 0.00 0.00 177.00 178.78 1ijb n LEU 504 N -1.18 0.59 -4.27 -3.56 4.77 -1.26 -4.97 117.00 107.12 1ijb n LEU 504 Ca 0.11 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1ijb n LEU 504 Cb 0.49 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1ijb n LEU 504 CO 0.46 -0.09 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.10 1ijb s HIS 505 N -3.36 1.32 0.16 -1.77 3.76 -1.26 -5.04 115.29 109.10 1ijb s HIS 505 Ca -0.01 -1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 53.84 1ijb s HIS 505 Cb 0.12 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 33.07 1ijb s HIS 505 CO 0.82 -0.18 1.43 -0.44 -0.85 0.00 0.00 174.74 175.52 1ijb h ASP 506 N 2.62 0.65 -3.14 1.40 3.45 -1.97 -3.39 116.42 116.03 1ijb h ASP 506 Ca -0.37 -0.40 -0.56 0.00 0.43 0.00 0.00 57.03 56.13 1ijb h ASP 506 Cb 1.21 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 39.74 1ijb h ASP 506 CO 0.63 1.14 1.08 0.12 -1.57 0.00 0.00 179.24 180.64 1ijb s PHE 507 N -3.78 2.37 -0.21 4.55 5.36 -1.26 -4.95 117.98 120.05 1ijb s PHE 507 Ca -0.07 0.61 -0.04 0.00 -0.96 0.00 0.00 56.93 56.46 1ijb s PHE 507 Cb 0.10 -4.35 0.11 0.00 -0.34 0.00 0.00 43.02 38.54 1ijb s PHE 507 CO 0.86 -1.94 0.35 -0.47 -1.46 0.00 0.00 175.22 172.56 1ijb s TYR 508 N 5.65 -0.68 -0.40 10.12 5.04 -1.26 -4.58 117.35 131.23 1ijb s TYR 508 Ca 0.57 0.89 -0.29 0.00 -2.44 0.00 0.00 57.07 55.80 1ijb s TYR 508 Cb -0.12 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.21 1ijb s TYR 508 CO 0.30 -0.61 1.24 0.00 -1.34 0.00 0.00 175.55 175.14 1ijb n SER 510 N 7.95 4.37 -4.00 0.00 2.88 -1.26 -1.24 113.62 122.32 1ijb n SER 510 Ca 0.14 -3.44 -0.23 0.00 -1.33 0.00 0.00 58.87 54.00 1ijb n SER 510 Cb 0.48 -0.80 -0.08 0.00 -0.75 0.00 0.00 64.21 63.05 1ijb n SER 510 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ijb s ARG 511 N -2.57 1.82 -0.64 -1.46 0.52 -1.26 -4.64 118.95 110.72 1ijb s ARG 511 Ca 0.38 -2.09 -0.21 0.00 -0.52 0.00 0.00 55.73 53.29 1ijb s ARG 511 Cb 0.13 -0.39 0.08 0.00 0.52 0.00 0.00 34.95 35.29 1ijb s ARG 511 CO 0.02 -0.48 0.89 -0.51 0.02 0.00 0.00 175.30 175.23 1ijb s LEU 512 N -3.52 4.69 -0.04 2.53 1.43 -0.69 -3.44 118.68 119.65 1ijb s LEU 512 Ca 0.29 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1ijb s LEU 512 Cb 0.03 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1ijb s LEU 512 CO 0.17 -1.34 0.17 -0.22 0.23 0.00 0.00 176.35 175.36 1ijb s LEU 513 N 3.65 1.38 -0.29 1.79 2.96 -0.95 -1.90 118.68 125.32 1ijb s LEU 513 Ca 0.19 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1ijb s LEU 513 Cb -0.19 0.69 0.05 0.00 0.50 0.00 0.00 46.19 47.24 1ijb s LEU 513 CO 0.09 -0.22 -0.02 -1.81 -1.32 0.00 0.00 176.35 173.07 1ijb s ASP 514 N -0.62 4.76 -0.16 3.68 1.01 -0.24 -0.42 116.67 124.68 1ijb s ASP 514 Ca -0.07 -1.25 -0.01 0.00 0.71 0.00 0.00 52.55 51.93 1ijb s ASP 514 Cb -0.04 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.20 1ijb s ASP 514 CO 0.01 -0.23 -0.10 -0.22 0.21 0.00 0.00 175.17 174.83 1ijb s LEU 515 N 1.24 2.77 -0.19 1.23 2.96 -0.17 -1.36 118.68 125.16 1ijb s LEU 515 Ca -0.05 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1ijb s LEU 515 Cb -0.19 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1ijb s LEU 515 CO -0.02 0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 1ijb s VAL 516 N 0.71 3.52 -0.27 1.68 1.01 0.71 -1.76 120.40 126.00 1ijb s VAL 516 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1ijb s VAL 516 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1ijb s VAL 516 CO 0.02 0.46 0.29 -0.36 0.00 0.00 0.00 175.10 175.50 1ijb s PHE 517 N 0.94 3.24 -0.28 5.22 0.08 0.09 0.34 117.98 127.61 1ijb s PHE 517 Ca -0.00 0.29 -0.03 0.00 0.12 0.00 0.00 56.93 57.31 1ijb s PHE 517 Cb -0.15 -2.48 0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1ijb s PHE 517 CO 0.01 -0.18 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.43 1ijb s LEU 518 N 1.86 3.66 -0.23 -0.37 1.43 -0.31 -1.36 118.68 123.36 1ijb s LEU 518 Ca 0.11 -1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 1ijb s LEU 518 Cb -0.16 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1ijb s LEU 518 CO 0.10 -0.21 0.11 -0.76 0.23 0.00 0.00 176.35 175.82 1ijb s LEU 519 N 1.31 3.88 -0.04 1.79 1.02 0.69 -1.42 118.68 125.92 1ijb s LEU 519 Ca -0.02 0.03 -0.30 0.00 0.02 0.00 0.00 54.13 53.86 1ijb s LEU 519 Cb -0.18 -2.02 -0.07 0.00 0.02 0.00 0.00 46.19 43.93 1ijb s LEU 519 CO -0.02 0.07 1.85 -0.62 0.02 0.00 0.00 176.35 177.66 1ijb s ASP 520 N 0.99 6.44 -0.15 2.29 -1.08 -0.98 -0.42 116.67 123.75 1ijb s ASP 520 Ca 0.06 2.38 0.17 0.00 -0.52 0.00 0.00 52.55 54.63 1ijb s ASP 520 Cb -0.14 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.51 1ijb s ASP 520 CO 0.03 -1.10 1.63 0.61 0.52 0.00 0.00 175.17 176.86 1ijb n GLY 521 N 4.51 2.93 3.83 2.66 0.00 0.62 -4.86 105.19 114.89 1ijb n GLY 521 Ca 0.20 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1ijb n GLY 521 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijb s SER 522 N -0.97 4.35 0.00 1.61 1.04 -1.26 -1.00 113.70 117.46 1ijb s SER 522 Ca 0.50 1.05 0.12 0.00 0.48 0.00 0.00 55.95 58.10 1ijb s SER 522 Cb 0.35 -1.68 0.72 0.00 0.10 0.00 0.00 66.02 65.50 1ijb s SER 522 CO 0.21 -2.03 1.46 -1.54 0.98 0.00 0.00 173.24 172.32 1ijb n SER 523 N -3.44 0.06 0.27 7.02 3.41 0.38 -3.07 113.62 118.25 1ijb n SER 523 Ca 0.07 -1.63 0.16 0.00 -0.26 0.00 0.00 58.87 57.21 1ijb n SER 523 Cb 0.58 -0.01 0.74 0.00 -0.26 0.00 0.00 64.21 65.27 1ijb n SER 523 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ijb h ARG 524 N 0.08 0.00 -5.65 4.33 2.47 -1.87 -3.39 114.38 110.35 1ijb h ARG 524 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 1ijb h ARG 524 Cb 0.02 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.15 1ijb h ARG 524 CO 0.00 0.07 -0.65 -0.51 0.56 0.00 0.00 179.97 179.44 1ijb s LEU 525 N -6.51 3.38 0.85 3.04 1.43 -1.18 -5.06 118.68 114.64 1ijb s LEU 525 Ca -0.01 -0.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 1ijb s LEU 525 Cb 0.11 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.64 1ijb s LEU 525 CO 0.55 0.27 1.19 -0.94 0.23 0.00 0.00 176.35 177.65 1ijb s SER 526 N -0.22 4.15 0.27 2.29 1.04 -1.26 -4.80 113.70 115.17 1ijb s SER 526 Ca 0.04 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 1ijb s SER 526 Cb -0.13 -1.17 0.38 0.00 0.10 0.00 0.00 66.02 65.20 1ijb s SER 526 CO 0.02 -2.13 1.92 -0.08 0.98 0.00 0.00 173.24 173.96 1ijb h GLU 527 N -1.21 1.18 -0.46 4.02 4.81 -1.97 -0.48 114.58 120.47 1ijb h GLU 527 Ca -0.46 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1ijb h GLU 527 Cb 1.32 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1ijb h GLU 527 CO 0.61 0.78 0.06 0.00 -0.73 0.00 0.00 179.01 179.73 1ijb h ALA 528 N 1.44 0.62 -0.31 2.92 0.00 -2.00 -2.19 119.26 119.74 1ijb h ALA 528 Ca 0.38 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ijb h ALA 528 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ijb h ALA 528 CO -0.11 0.36 -0.16 0.93 0.00 0.00 0.00 179.25 180.27 1ijb h GLU 529 N 0.64 0.55 -0.19 0.00 5.08 -1.78 -2.29 114.58 116.59 1ijb h GLU 529 Ca 0.14 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1ijb h GLU 529 Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ijb h GLU 529 CO 0.01 0.69 -0.19 0.35 -1.00 0.00 0.00 179.01 178.88 1ijb h PHE 530 N 0.50 0.36 -0.43 4.33 3.57 -0.85 -0.56 116.94 123.87 1ijb h PHE 530 Ca 0.09 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1ijb h PHE 530 Cb 0.56 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1ijb h PHE 530 CO 0.02 0.51 -0.16 0.93 -2.23 0.00 0.00 178.31 177.38 1ijb h GLU 531 N 0.30 0.80 -0.45 1.11 4.39 -0.86 0.02 114.58 119.89 1ijb h GLU 531 Ca 0.05 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.36 1ijb h GLU 531 Cb 0.51 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1ijb h GLU 531 CO 0.03 0.91 -0.12 0.28 -1.16 0.00 0.00 179.01 178.95 1ijb h VAL 532 N 0.71 1.26 -0.38 3.13 2.07 -0.90 -0.38 116.25 121.76 1ijb h VAL 532 Ca 0.11 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1ijb h VAL 532 Cb 0.66 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1ijb h VAL 532 CO 0.05 0.41 0.14 0.25 0.02 0.00 0.00 177.57 178.44 1ijb h LEU 533 N 0.74 0.54 -0.99 2.57 5.85 -0.65 -1.80 115.31 121.58 1ijb h LEU 533 Ca 0.12 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1ijb h LEU 533 Cb 0.62 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1ijb h LEU 533 CO 0.04 0.58 -0.01 0.11 -0.34 0.00 0.00 178.44 178.82 1ijb h LYS 534 N 0.47 0.72 -0.54 1.25 1.57 -0.76 -1.92 116.57 117.36 1ijb h LYS 534 Ca 0.13 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ijb h LYS 534 Cb 0.22 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ijb h LYS 534 CO -0.01 0.74 0.23 0.00 -0.57 0.00 0.00 179.45 179.84 1ijb h ALA 535 N 1.31 1.38 -0.18 3.86 0.00 -0.73 0.19 119.26 125.10 1ijb h ALA 535 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ijb h ALA 535 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ijb h ALA 535 CO 0.02 0.47 0.05 0.35 0.00 0.00 0.00 179.25 180.14 1ijb h PHE 536 N 0.77 0.29 -0.44 0.00 3.57 -0.75 0.12 116.94 120.51 1ijb h PHE 536 Ca 0.19 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1ijb h PHE 536 Cb 0.13 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1ijb h PHE 536 CO 0.01 0.39 0.25 0.28 -2.23 0.00 0.00 178.31 177.00 1ijb h VAL 537 N 0.11 1.03 -0.54 1.41 2.07 -0.66 0.21 116.25 119.88 1ijb h VAL 537 Ca 0.06 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1ijb h VAL 537 Cb 0.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ijb h VAL 537 CO -0.00 0.09 0.23 0.58 0.02 0.00 0.00 177.57 178.49 1ijb h VAL 538 N 0.50 1.21 -0.94 2.57 2.07 -0.78 -0.82 116.25 120.05 1ijb h VAL 538 Ca 0.18 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ijb h VAL 538 Cb 0.03 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1ijb h VAL 538 CO -0.09 0.25 0.62 0.44 0.02 0.00 0.00 177.57 178.80 1ijb h ASP 539 N 0.73 1.04 -0.11 0.57 3.45 -0.29 -1.69 116.42 120.11 1ijb h ASP 539 Ca 0.18 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1ijb h ASP 539 Cb 0.18 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1ijb h ASP 539 CO -0.02 0.72 0.02 0.24 -1.57 0.00 0.00 179.24 178.63 1ijb h MET 540 N 1.21 0.18 -0.93 3.56 2.86 -0.53 -3.07 114.93 118.20 1ijb h MET 540 Ca 0.37 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.06 1ijb h MET 540 Cb -0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 1ijb h MET 540 CO -0.11 0.37 0.60 0.52 1.06 0.00 0.00 176.91 179.35 1ijb h MET 541 N -0.05 0.91 0.00 1.72 2.86 -0.74 -0.05 114.93 119.58 1ijb h MET 541 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ijb h MET 541 Cb 0.28 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1ijb h MET 541 CO 0.00 0.60 -0.03 0.93 1.06 0.00 0.00 176.91 179.47 1ijb h GLU 542 N 0.94 0.00 -0.71 1.72 5.08 -1.22 -2.34 114.58 118.05 1ijb h GLU 542 Ca 0.44 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1ijb h GLU 542 Cb 0.42 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.53 1ijb h GLU 542 CO -0.20 0.03 0.26 0.54 -1.00 0.00 0.00 179.01 178.64 1ijb n ARG 543 N -3.40 3.48 -4.35 2.33 1.74 -0.03 -4.49 116.66 111.93 1ijb n ARG 543 Ca -0.02 -3.08 -0.19 0.00 -0.77 0.00 0.00 57.85 53.78 1ijb n ARG 543 Cb 0.14 -2.17 -0.14 0.00 -1.02 0.00 0.00 32.46 29.27 1ijb n ARG 543 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ijb s LEU 544 N -3.03 2.13 -1.00 0.55 1.43 -0.88 -1.03 118.68 116.86 1ijb s LEU 544 Ca 0.54 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 1ijb s LEU 544 Cb 0.44 -0.54 0.11 0.00 0.03 0.00 0.00 46.19 46.23 1ijb s LEU 544 CO 0.12 0.04 1.27 -0.60 0.23 0.00 0.00 176.35 177.41 1ijb s ARG 545 N -0.89 3.66 -0.17 1.70 3.52 -0.37 -4.83 118.95 121.57 1ijb s ARG 545 Ca 0.01 -1.69 -0.29 0.00 -0.13 0.00 0.00 55.73 53.63 1ijb s ARG 545 Cb -0.07 -5.07 -0.02 0.00 -1.56 0.00 0.00 34.95 28.23 1ijb s ARG 545 CO 0.01 -1.90 1.37 0.08 -0.81 0.00 0.00 175.30 174.05 1ijb s VAL 546 N 3.22 4.08 -0.22 7.11 1.01 -1.25 -1.12 120.40 133.22 1ijb s VAL 546 Ca 0.38 1.28 -0.33 0.00 0.00 0.00 0.00 61.98 63.32 1ijb s VAL 546 Cb -0.03 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.62 1ijb s VAL 546 CO -0.08 -0.18 1.23 -0.55 0.00 0.00 0.00 175.10 175.52 1ijb s SER 547 N 2.54 -0.14 0.56 3.32 0.15 -0.03 -4.77 113.70 115.34 1ijb s SER 547 Ca 0.60 0.08 0.31 0.00 0.70 0.00 0.00 55.95 57.64 1ijb s SER 547 Cb -0.24 0.13 1.70 0.00 -1.71 0.00 0.00 66.02 65.90 1ijb s SER 547 CO 0.20 -0.18 2.16 1.56 1.20 0.00 0.00 173.24 178.18 1ijb h GLN 548 N 2.10 0.00 -0.01 5.44 1.08 -1.92 -2.05 115.11 119.75 1ijb h GLN 548 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1ijb h GLN 548 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1ijb h GLN 548 CO 0.24 0.06 -0.35 1.63 -0.95 0.00 0.00 178.83 179.46 1ijb n LYS 549 N -3.55 1.17 0.00 1.46 4.01 -1.26 -4.89 118.16 115.10 1ijb n LYS 549 Ca -0.02 -0.88 0.00 0.00 -0.51 0.00 0.00 58.31 56.90 1ijb n LYS 549 Cb 0.18 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 1ijb n LYS 549 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1ijb n TRP 550 N -0.15 0.00 -3.58 2.13 7.02 -0.78 -4.84 117.44 117.24 1ijb n TRP 550 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.21 1ijb n TRP 550 Cb 0.43 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.21 1ijb n TRP 550 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1ijb s VAL 551 N 1.57 5.31 0.06 -0.99 1.01 -0.28 -2.24 120.40 124.84 1ijb s VAL 551 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1ijb s VAL 551 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1ijb s VAL 551 CO 0.00 0.24 0.23 -0.13 0.00 0.00 0.00 175.10 175.43 1ijb s ARG 552 N 1.77 3.46 0.11 2.72 0.52 0.44 -0.85 118.95 127.12 1ijb s ARG 552 Ca 0.07 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 1ijb s ARG 552 Cb -0.16 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1ijb s ARG 552 CO 0.11 0.60 -0.14 0.14 0.02 0.00 0.00 175.30 176.03 1ijb s VAL 553 N -1.51 1.27 0.00 3.52 -7.23 -1.26 -1.00 120.40 114.19 1ijb s VAL 553 Ca 0.35 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1ijb s VAL 553 Cb -0.13 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1ijb s VAL 553 CO 0.27 -0.40 0.01 0.00 -0.31 0.00 0.00 175.10 174.67 1ijb s ALA 554 N -2.06 -0.01 -0.06 1.32 0.00 -0.72 -3.25 121.76 116.98 1ijb s ALA 554 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1ijb s ALA 554 Cb -0.05 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1ijb s ALA 554 CO 0.03 -0.09 -0.02 0.08 0.00 0.00 0.00 175.76 175.75 1ijb s VAL 555 N -0.73 0.47 -0.04 0.00 1.01 -0.48 -0.73 120.40 119.91 1ijb s VAL 555 Ca -0.08 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1ijb s VAL 555 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1ijb s VAL 555 CO -0.00 0.25 -0.07 -0.69 0.00 0.00 0.00 175.10 174.59 1ijb s VAL 556 N 1.54 0.69 -0.20 2.92 1.01 -0.46 -0.33 120.40 125.56 1ijb s VAL 556 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ijb s VAL 556 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1ijb s VAL 556 CO -0.03 0.24 0.07 -0.70 0.00 0.00 0.00 175.10 174.68 1ijb s GLU 557 N 0.54 3.91 -0.05 2.72 -6.30 -0.38 -0.22 118.70 118.91 1ijb s GLU 557 Ca -0.08 -0.37 0.05 0.00 -2.50 0.00 0.00 54.97 52.07 1ijb s GLU 557 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 34.13 30.72 1ijb s GLU 557 CO 0.01 0.14 -0.19 1.52 0.02 0.00 0.00 175.26 176.76 1ijb s TYR 558 N 0.74 2.57 0.00 5.30 1.13 0.44 -0.97 117.35 126.56 1ijb s TYR 558 Ca 0.04 -0.35 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1ijb s TYR 558 Cb -0.13 -1.61 0.00 0.00 -1.10 0.00 0.00 41.96 39.12 1ijb s TYR 558 CO 0.02 0.04 0.00 -2.39 -2.51 0.00 0.00 175.55 170.71 1ijb n HIS 559 N 2.53 0.00 -2.73 -3.49 1.44 -1.26 -0.28 115.22 111.43 1ijb n HIS 559 Ca -0.17 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.11 1ijb n HIS 559 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1ijb n HIS 559 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1ijb n ASP 560 N 0.00 5.26 0.00 4.39 4.64 -0.98 -0.87 116.55 128.99 1ijb n ASP 560 Ca 0.00 -3.06 0.00 0.00 -1.38 0.00 0.00 54.79 50.35 1ijb n ASP 560 Cb 0.00 -1.50 0.00 0.00 -1.04 0.00 0.00 41.12 38.58 1ijb n ASP 560 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ijb n GLY 561 N 3.32 0.66 3.23 0.27 0.00 -1.26 -5.04 105.19 106.37 1ijb n GLY 561 Ca 0.37 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 1ijb n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijb s SER 562 N -2.22 0.01 -0.20 1.61 1.04 -1.26 -4.60 113.70 108.08 1ijb s SER 562 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1ijb s SER 562 Cb 0.00 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1ijb s SER 562 CO 0.00 -0.72 -0.08 -2.28 0.98 0.00 0.00 173.24 171.14 1ijb s HIS 563 N -3.56 2.21 -0.27 5.02 2.46 -0.14 -4.99 115.29 116.02 1ijb s HIS 563 Ca 0.02 -1.49 -0.21 0.00 0.47 0.00 0.00 55.06 53.85 1ijb s HIS 563 Cb 0.03 -1.54 -0.01 0.00 -0.13 0.00 0.00 32.58 30.93 1ijb s HIS 563 CO -0.10 -0.72 0.68 0.00 -2.47 0.00 0.00 174.74 172.14 1ijb s ALA 564 N 1.46 3.58 -0.09 1.58 0.00 -1.26 -1.25 121.76 125.78 1ijb s ALA 564 Ca -0.02 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.60 1ijb s ALA 564 Cb -0.17 -3.13 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 1ijb s ALA 564 CO -0.08 -0.96 0.47 0.66 0.00 0.00 0.00 175.76 175.86 1ijb n TYR 565 N 5.88 0.81 -3.99 0.00 4.02 0.55 -4.91 117.16 119.51 1ijb n TYR 565 Ca 0.01 0.27 -0.16 0.00 -0.01 0.00 0.00 57.90 58.00 1ijb n TYR 565 Cb 0.49 -1.14 -0.16 0.00 -0.02 0.00 0.00 39.34 38.51 1ijb n TYR 565 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ijb s ILE 566 N -2.57 0.23 0.11 -0.72 1.01 -1.05 -4.94 121.20 113.27 1ijb s ILE 566 Ca -0.09 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.60 1ijb s ILE 566 Cb 0.07 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1ijb s ILE 566 CO 0.81 0.13 0.02 -0.83 0.00 0.00 0.00 174.94 175.06 1ijb s GLY 567 N 0.63 1.88 0.37 6.18 0.00 -1.26 -1.38 107.32 113.75 1ijb s GLY 567 Ca -0.06 -1.16 0.14 0.00 0.00 0.00 0.00 44.72 43.64 1ijb s GLY 567 CO -0.01 -1.14 1.79 1.41 0.00 0.00 0.00 173.10 175.15 1ijb h LEU 568 N 3.23 0.54 -0.28 0.66 3.38 -1.95 -0.95 115.31 119.94 1ijb h LEU 568 Ca -0.48 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1ijb h LEU 568 Cb 1.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1ijb h LEU 568 CO 0.60 0.16 -0.05 0.29 0.09 0.00 0.00 178.44 179.53 1ijb n LYS 569 N -4.65 0.94 -1.83 1.13 5.02 -1.26 -4.51 118.16 113.00 1ijb n LYS 569 Ca 0.23 -0.28 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1ijb n LYS 569 Cb 0.74 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 1ijb n LYS 569 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ijb s ASP 570 N -2.25 5.71 -1.20 4.39 1.01 -0.36 -4.89 116.67 119.07 1ijb s ASP 570 Ca 0.36 1.57 -0.17 0.00 0.71 0.00 0.00 52.55 55.03 1ijb s ASP 570 Cb 0.21 -2.52 0.12 0.00 1.01 0.00 0.00 42.92 41.74 1ijb s ASP 570 CO 0.42 -1.81 1.53 0.00 0.21 0.00 0.00 175.17 175.51 1ijb s ARG 571 N 5.94 3.96 0.14 8.23 1.70 -1.26 -4.94 118.95 132.71 1ijb s ARG 571 Ca 0.89 -2.15 0.05 0.00 -0.47 0.00 0.00 55.73 54.05 1ijb s ARG 571 Cb -0.27 -5.26 -0.04 0.00 -0.57 0.00 0.00 34.95 28.81 1ijb s ARG 571 CO 0.34 -2.00 -0.11 0.15 -1.08 0.00 0.00 175.30 172.60 1ijb s LYS 572 N 3.01 1.03 0.45 3.89 1.02 -1.26 -5.12 119.74 122.75 1ijb s LYS 572 Ca 0.46 -1.36 -0.25 0.00 0.02 0.00 0.00 55.97 54.85 1ijb s LYS 572 Cb -0.00 -0.70 -0.09 0.00 -0.52 0.00 0.00 37.83 36.53 1ijb s LYS 572 CO 0.01 0.10 1.35 0.54 -0.92 0.00 0.00 175.35 176.44 1ijb n ARG 573 N 0.10 2.04 -0.33 1.68 1.74 -1.26 -4.79 116.66 115.84 1ijb n ARG 573 Ca -0.12 0.73 0.09 0.00 -0.77 0.00 0.00 57.85 57.78 1ijb n ARG 573 Cb 0.59 -2.51 0.26 0.00 -1.02 0.00 0.00 32.46 29.78 1ijb n ARG 573 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ijb h PRO 574 N 2.09 0.75 -0.44 5.56 0.11 -1.97 -0.01 132.00 138.09 1ijb h PRO 574 Ca -0.49 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1ijb h PRO 574 Cb 1.28 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1ijb h PRO 574 CO 0.60 0.49 0.09 0.66 -0.21 0.00 0.00 178.00 179.64 1ijb h SER 575 N 0.77 0.61 -0.05 -2.05 4.64 -1.99 0.09 113.55 115.57 1ijb h SER 575 Ca 0.51 -0.10 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 1ijb h SER 575 Cb 0.70 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ijb h SER 575 CO -0.34 0.61 -0.69 -0.08 -0.87 0.00 0.00 176.83 175.46 1ijb h GLU 576 N 0.64 0.68 -0.65 4.77 4.81 -1.41 -1.06 114.58 122.36 1ijb h GLU 576 Ca 0.14 -0.51 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1ijb h GLU 576 Cb 0.26 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1ijb h GLU 576 CO -0.00 1.13 0.18 -0.07 -0.73 0.00 0.00 179.01 179.52 1ijb h LEU 577 N 0.48 0.97 -0.85 1.64 3.38 -0.75 0.38 115.31 120.57 1ijb h LEU 577 Ca -0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1ijb h LEU 577 Cb 1.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ijb h LEU 577 CO 0.14 0.93 0.04 0.03 0.09 0.00 0.00 178.44 179.67 1ijb h ARG 578 N 0.95 0.89 -0.53 1.13 3.08 -0.88 -1.17 114.38 117.85 1ijb h ARG 578 Ca 0.21 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1ijb h ARG 578 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1ijb h ARG 578 CO -0.00 0.87 0.09 -0.09 -1.07 0.00 0.00 179.97 179.77 1ijb h ARG 579 N 0.84 0.88 -0.64 0.04 2.43 -0.64 -0.06 114.38 117.22 1ijb h ARG 579 Ca 0.16 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ijb h ARG 579 Cb 0.44 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1ijb h ARG 579 CO 0.02 0.85 0.39 0.82 -1.51 0.00 0.00 179.97 180.54 1ijb h ILE 580 N 0.77 1.18 -0.63 1.20 2.04 -0.58 -1.44 117.51 120.05 1ijb h ILE 580 Ca 0.16 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1ijb h ILE 580 Cb 0.40 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1ijb h ILE 580 CO 0.01 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.65 1ijb h ALA 581 N 1.20 0.81 0.00 1.87 0.00 -0.86 -2.05 119.26 120.23 1ijb h ALA 581 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ijb h ALA 581 Cb -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ijb h ALA 581 CO -0.04 0.38 -0.12 0.66 0.00 0.00 0.00 179.25 180.13 1ijb h SER 582 N 0.87 0.00 -0.00 0.00 4.64 -0.50 -2.69 113.55 115.86 1ijb h SER 582 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ijb h SER 582 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ijb h SER 582 CO -0.03 0.12 -0.03 0.00 -0.87 0.00 0.00 176.83 176.02 1ijb n GLN 583 N -3.75 1.79 -1.64 4.77 6.02 -0.59 -4.95 117.38 119.03 1ijb n GLN 583 Ca -0.02 -1.21 -0.53 0.00 -0.01 0.00 0.00 57.00 55.23 1ijb n GLN 583 Cb 0.22 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 1ijb n GLN 583 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ijb n VAL 584 N 0.46 0.13 -2.31 5.09 0.31 -1.02 -4.87 118.33 116.12 1ijb n VAL 584 Ca 0.17 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 64.07 1ijb n VAL 584 Cb 0.43 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 1ijb n VAL 584 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ijb s LYS 585 N 1.71 4.47 0.12 5.55 -0.14 -1.26 -4.99 119.74 125.20 1ijb s LYS 585 Ca 0.89 1.96 -0.31 0.00 -1.36 0.00 0.00 55.97 57.15 1ijb s LYS 585 Cb -0.95 -3.20 -0.08 0.00 -1.68 0.00 0.00 37.83 31.92 1ijb s LYS 585 CO 0.52 -0.11 1.39 -0.47 -0.76 0.00 0.00 175.35 175.93 1ijb s TYR 586 N -0.30 3.24 -0.26 3.18 5.04 -1.26 -4.93 117.35 122.07 1ijb s TYR 586 Ca 0.52 0.95 -0.09 0.00 -2.44 0.00 0.00 57.07 56.01 1ijb s TYR 586 Cb -0.35 -3.69 -0.15 0.00 0.35 0.00 0.00 41.96 38.12 1ijb s TYR 586 CO 0.40 -2.41 -0.21 0.00 -1.34 0.00 0.00 175.55 171.99 1ijb n ALA 587 N 3.90 1.21 -3.50 3.97 0.00 -1.26 -5.00 120.51 119.82 1ijb n ALA 587 Ca 0.11 -1.01 -0.25 0.00 0.00 0.00 0.00 53.44 52.30 1ijb n ALA 587 Cb 0.42 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 19.86 1ijb n ALA 587 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ijb n GLY 588 N 1.63 -0.53 3.78 0.00 0.00 -0.21 -4.94 105.19 104.92 1ijb n GLY 588 Ca -0.48 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1ijb n GLY 588 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijb s SER 589 N -3.15 5.15 0.25 1.61 1.04 -0.17 -3.95 113.70 114.48 1ijb s SER 589 Ca 0.53 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.88 1ijb s SER 589 Cb -0.24 -2.53 0.31 0.00 0.10 0.00 0.00 66.02 63.65 1ijb s SER 589 CO 0.65 -1.60 1.60 -0.61 0.98 0.00 0.00 173.24 174.26 1ijb h GLN 590 N -0.23 0.25 -5.65 4.02 5.75 -1.92 0.11 115.11 117.44 1ijb h GLN 590 Ca -0.46 -0.16 -0.53 0.00 -0.15 0.00 0.00 58.65 57.35 1ijb h GLN 590 Cb 1.23 0.02 -0.28 0.00 1.07 0.00 0.00 27.48 29.52 1ijb h GLN 590 CO 0.54 0.73 -0.83 0.08 -2.65 0.00 0.00 178.83 176.70 1ijb s VAL 591 N -3.90 1.36 -0.27 2.39 1.01 -1.26 -4.83 120.40 114.90 1ijb s VAL 591 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1ijb s VAL 591 Cb 0.12 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1ijb s VAL 591 CO 0.79 0.31 0.08 0.00 0.00 0.00 0.00 175.10 176.29 1ijb s ALA 592 N -0.50 1.16 -0.42 5.51 0.00 -1.26 -2.31 121.76 123.94 1ijb s ALA 592 Ca 0.06 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 1ijb s ALA 592 Cb -0.07 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1ijb s ALA 592 CO -0.00 -1.50 0.82 0.45 0.00 0.00 0.00 175.76 175.53 1ijb s SER 593 N 1.80 6.50 0.22 0.00 0.15 -0.05 -4.20 113.70 118.12 1ijb s SER 593 Ca 0.06 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.88 1ijb s SER 593 Cb -0.17 -2.41 0.20 0.00 -1.71 0.00 0.00 66.02 61.93 1ijb s SER 593 CO -0.22 -0.87 1.53 0.71 1.20 0.00 0.00 173.24 175.59 1ijb h THR 594 N 5.91 1.37 -0.31 6.45 1.35 -1.95 -2.55 112.91 123.16 1ijb h THR 594 Ca -0.24 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 63.67 1ijb h THR 594 Cb 1.09 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 1ijb h THR 594 CO 0.96 0.58 0.16 0.28 -0.25 0.00 0.00 175.52 177.25 1ijb h SER 595 N 0.25 0.40 -0.34 5.36 0.02 -1.91 -1.03 113.55 116.30 1ijb h SER 595 Ca -0.00 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1ijb h SER 595 Cb 1.12 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1ijb h SER 595 CO 0.10 0.40 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.81 1ijb h GLU 596 N 0.38 0.74 0.00 3.45 4.39 -1.84 -1.22 114.58 120.48 1ijb h GLU 596 Ca 0.11 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1ijb h GLU 596 Cb 0.10 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ijb h GLU 596 CO -0.02 0.79 -0.64 -0.24 -1.16 0.00 0.00 179.01 177.74 1ijb h VAL 597 N 0.69 1.31 -0.01 3.13 3.04 -1.26 -1.46 116.25 121.69 1ijb h VAL 597 Ca 0.13 -2.32 -0.18 0.00 -1.01 0.00 0.00 66.70 63.32 1ijb h VAL 597 Cb 0.50 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1ijb h VAL 597 CO 0.03 0.63 -0.80 -0.07 -1.01 0.00 0.00 177.57 176.34 1ijb h LEU 598 N 0.00 0.21 -0.52 3.16 3.38 -0.98 -1.41 115.31 119.14 1ijb h LEU 598 Ca -0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1ijb h LEU 598 Cb 1.25 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1ijb h LEU 598 CO 0.08 0.92 0.12 0.50 0.09 0.00 0.00 178.44 180.16 1ijb h LYS 599 N 0.10 0.84 -0.53 1.13 3.64 -1.01 -0.18 116.57 120.56 1ijb h LYS 599 Ca -0.03 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1ijb h LYS 599 Cb 1.40 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1ijb h LYS 599 CO 0.12 0.80 0.28 -0.92 -2.27 0.00 0.00 179.45 177.46 1ijb h TYR 600 N 0.73 0.74 -0.40 1.91 3.20 -1.09 0.65 116.97 122.71 1ijb h TYR 600 Ca 0.16 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1ijb h TYR 600 Cb 0.34 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1ijb h TYR 600 CO 0.02 0.55 0.19 1.15 -1.64 0.00 0.00 178.16 178.44 1ijb h THR 601 N 0.71 1.17 -0.29 1.81 2.02 -0.99 0.40 112.91 117.74 1ijb h THR 601 Ca 0.18 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1ijb h THR 601 Cb 0.07 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1ijb h THR 601 CO -0.03 0.19 -0.07 0.25 0.37 0.00 0.00 175.52 176.23 1ijb h LEU 602 N 0.50 0.56 -0.60 2.58 5.85 -0.77 -0.94 115.31 122.49 1ijb h LEU 602 Ca 0.14 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ijb h LEU 602 Cb 0.12 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1ijb h LEU 602 CO -0.02 0.79 -0.60 0.49 -0.34 0.00 0.00 178.44 178.77 1ijb n PHE 603 N -4.50 0.00 -0.11 1.25 3.72 0.20 -3.37 117.46 114.65 1ijb n PHE 603 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1ijb n PHE 603 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1ijb n PHE 603 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ijb n GLN 604 N -0.58 2.77 -0.03 -1.08 6.02 0.14 -4.53 117.38 120.09 1ijb n GLN 604 Ca 0.07 -0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1ijb n GLN 604 Cb 0.37 -0.40 -0.03 0.00 1.02 0.00 0.00 30.24 31.21 1ijb n GLN 604 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1ijb n ILE 605 N -0.42 0.37 -1.53 5.09 5.41 -1.04 -4.76 119.36 122.49 1ijb n ILE 605 Ca 0.00 -0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.53 1ijb n ILE 605 Cb 0.03 -1.35 0.16 0.00 -0.71 0.00 0.00 39.64 37.77 1ijb n ILE 605 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1ijb n PHE 606 N -3.13 1.62 -0.05 1.39 3.72 -0.38 -4.62 117.46 116.01 1ijb n PHE 606 Ca -0.13 -1.86 -0.08 0.00 -0.05 0.00 0.00 57.45 55.33 1ijb n PHE 606 Cb 0.60 -0.58 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 1ijb n PHE 606 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ijb h SER 607 N 1.28 -0.02 -3.31 4.37 0.87 -1.79 -3.42 113.55 111.53 1ijb h SER 607 Ca 0.30 -0.56 -0.74 0.00 -1.23 0.00 0.00 61.79 59.56 1ijb h SER 607 Cb 1.61 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 63.34 1ijb h SER 607 CO 0.59 0.75 -0.34 -0.75 -0.53 0.00 0.00 176.83 176.55 1ijb s LYS 608 N -2.08 2.94 -0.95 2.24 2.20 -1.26 -5.01 119.74 117.81 1ijb s LYS 608 Ca -0.11 -1.37 -0.24 0.00 -0.36 0.00 0.00 55.97 53.88 1ijb s LYS 608 Cb -0.02 -4.10 0.03 0.00 -1.51 0.00 0.00 37.83 32.24 1ijb s LYS 608 CO 0.41 -1.03 1.48 0.42 -0.36 0.00 0.00 175.35 176.27 1ijb s ILE 609 N 1.62 3.82 -1.04 5.43 -1.09 -1.26 -4.76 121.20 123.91 1ijb s ILE 609 Ca 0.04 -0.48 0.27 0.00 -2.23 0.00 0.00 60.65 58.25 1ijb s ILE 609 Cb -0.24 -4.90 0.13 0.00 -1.58 0.00 0.00 42.46 35.87 1ijb s ILE 609 CO 0.06 -1.80 1.66 -0.90 -1.23 0.00 0.00 174.94 172.73 1ijb n ASP 610 N 9.60 0.29 -3.46 3.58 5.75 -1.26 -4.44 116.55 126.61 1ijb n ASP 610 Ca 0.28 0.04 -0.27 0.00 -0.01 0.00 0.00 54.79 54.83 1ijb n ASP 610 Cb 0.50 -0.09 -0.10 0.00 -1.03 0.00 0.00 41.12 40.41 1ijb n ASP 610 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ijb n ARG 611 N -1.46 0.90 0.23 0.11 0.63 -1.26 -4.94 116.66 110.87 1ijb n ARG 611 Ca 0.07 -3.62 0.16 0.00 -0.92 0.00 0.00 57.85 53.54 1ijb n ARG 611 Cb 0.33 -1.77 0.73 0.00 0.45 0.00 0.00 32.46 32.21 1ijb n ARG 611 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1ijb h PRO 612 N 5.07 0.00 0.00 -0.14 0.13 -2.00 -2.87 132.00 132.19 1ijb h PRO 612 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ijb h PRO 612 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ijb h PRO 612 CO 0.51 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.43 1ijb n GLU 613 N -2.74 0.35 -4.34 0.86 0.00 -1.26 -4.85 120.64 108.66 1ijb n GLU 613 Ca -0.00 0.01 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 1ijb n GLU 613 Cb 0.20 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.04 1ijb n GLU 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ijb s ALA 614 N -2.64 3.08 0.66 -1.84 0.00 -1.09 -4.81 121.76 115.13 1ijb s ALA 614 Ca 0.25 -1.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1ijb s ALA 614 Cb 0.19 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1ijb s ALA 614 CO 0.46 0.64 1.06 -1.12 0.00 0.00 0.00 175.76 176.80 1ijb s SER 615 N -1.75 5.48 -0.13 0.00 0.01 -0.80 -4.81 113.70 111.70 1ijb s SER 615 Ca 0.20 1.69 0.02 0.00 1.31 0.00 0.00 55.95 59.17 1ijb s SER 615 Cb -0.11 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1ijb s SER 615 CO 0.11 -1.37 -0.19 -0.13 0.41 0.00 0.00 173.24 172.07 1ijb s ARG 616 N -4.72 2.65 -0.02 12.44 0.52 -1.26 -1.08 118.95 127.49 1ijb s ARG 616 Ca 0.60 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1ijb s ARG 616 Cb -0.15 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.13 1ijb s ARG 616 CO 0.49 -0.05 -0.05 0.42 0.02 0.00 0.00 175.30 176.12 1ijb s ILE 617 N 0.94 0.49 -0.22 1.52 1.01 -0.47 -0.23 121.20 124.25 1ijb s ILE 617 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1ijb s ILE 617 Cb -0.15 -0.46 0.03 0.00 0.01 0.00 0.00 42.46 41.89 1ijb s ILE 617 CO -0.03 0.17 -0.13 0.00 0.00 0.00 0.00 174.94 174.95 1ijb s ALA 618 N 0.25 2.52 -0.52 9.38 0.00 0.67 -0.21 121.76 133.85 1ijb s ALA 618 Ca -0.03 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 1ijb s ALA 618 Cb -0.07 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.67 1ijb s ALA 618 CO -0.00 -0.63 0.63 -1.17 0.00 0.00 0.00 175.76 174.59 1ijb s LEU 619 N 1.29 5.09 -0.58 0.00 2.96 0.15 -0.58 118.68 127.01 1ijb s LEU 619 Ca 0.01 -1.05 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 1ijb s LEU 619 Cb -0.15 -2.40 0.09 0.00 0.50 0.00 0.00 46.19 44.23 1ijb s LEU 619 CO -0.08 -0.93 0.71 -0.22 -1.32 0.00 0.00 176.35 174.51 1ijb s LEU 620 N 2.60 5.23 -0.67 -0.68 2.96 -0.48 -1.16 118.68 126.47 1ijb s LEU 620 Ca 0.14 -1.30 -0.21 0.00 -0.22 0.00 0.00 54.13 52.53 1ijb s LEU 620 Cb -0.21 -2.34 0.08 0.00 0.50 0.00 0.00 46.19 44.23 1ijb s LEU 620 CO 0.10 -1.10 0.92 -0.76 -1.32 0.00 0.00 176.35 174.19 1ijb s LEU 621 N 2.79 4.70 -0.10 -0.68 1.43 -0.51 -0.37 118.68 125.93 1ijb s LEU 621 Ca 0.13 -1.21 -0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1ijb s LEU 621 Cb -0.23 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1ijb s LEU 621 CO 0.08 -1.33 0.04 -0.04 0.23 0.00 0.00 176.35 175.33 1ijb s MET 622 N 3.59 3.20 0.00 1.70 -1.94 -0.41 -2.31 119.30 123.13 1ijb s MET 622 Ca 0.21 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1ijb s MET 622 Cb -0.17 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.73 1ijb s MET 622 CO 0.07 0.67 0.41 0.00 -0.01 0.00 0.00 175.02 176.17 1ijb n ALA 623 N 2.25 0.91 -3.89 3.03 0.00 -1.26 0.22 120.51 121.77 1ijb n ALA 623 Ca -0.19 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 1ijb n ALA 623 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1ijb n ALA 623 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ijb n SER 624 N -0.05 -1.15 -4.01 0.00 3.41 -1.23 -3.41 113.62 107.18 1ijb n SER 624 Ca 0.00 -2.63 -0.27 0.00 -0.26 0.00 0.00 58.87 55.70 1ijb n SER 624 Cb 0.37 2.16 -0.17 0.00 -0.26 0.00 0.00 64.21 66.32 1ijb n SER 624 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ijb s GLN 625 N -2.70 1.94 0.60 4.33 -0.21 -1.09 -1.52 119.66 121.01 1ijb s GLN 625 Ca 0.25 -0.45 -0.14 0.00 0.02 0.00 0.00 55.36 55.04 1ijb s GLN 625 Cb -0.01 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 1ijb s GLN 625 CO 0.18 -0.12 1.04 -1.83 -2.12 0.00 0.00 175.29 172.44 1ijb s GLU 626 N 1.17 3.44 0.30 2.91 -1.05 -1.26 -4.86 118.70 119.34 1ijb s GLU 626 Ca -0.04 1.04 -0.30 0.00 -0.15 0.00 0.00 54.97 55.52 1ijb s GLU 626 Cb -0.14 -2.06 -0.12 0.00 -0.44 0.00 0.00 34.13 31.38 1ijb s GLU 626 CO -0.03 -0.70 1.61 -2.30 0.95 0.00 0.00 175.26 174.78 1ijb n PRO 627 N -2.21 2.74 -0.30 -4.83 -0.02 -1.26 -4.85 135.00 124.27 1ijb n PRO 627 Ca 0.08 0.97 0.28 0.00 -2.02 0.00 0.00 63.50 62.81 1ijb n PRO 627 Cb 0.53 -2.76 0.63 0.00 -0.02 0.00 0.00 33.50 31.88 1ijb n PRO 627 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1ijb h GLN 628 N 4.82 0.18 0.00 -0.52 7.50 -2.01 0.77 115.11 125.86 1ijb h GLN 628 Ca -0.47 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.67 1ijb h GLN 628 Cb 1.22 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.71 1ijb h GLN 628 CO 0.80 0.12 0.00 2.89 -1.50 0.00 0.00 178.83 181.14 1ijb n ARG 629 N -4.41 0.15 0.00 1.46 1.85 -1.26 -1.67 116.66 112.78 1ijb n ARG 629 Ca 0.24 0.61 0.11 0.00 -1.00 0.00 0.00 57.85 57.81 1ijb n ARG 629 Cb 1.02 -1.95 0.06 0.00 -1.05 0.00 0.00 32.46 30.54 1ijb n ARG 629 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1ijb n MET 630 N -2.26 1.81 -0.29 2.89 2.81 0.26 -4.54 117.12 117.80 1ijb n MET 630 Ca -0.01 -1.53 0.11 0.00 -1.81 0.00 0.00 57.70 54.46 1ijb n MET 630 Cb 0.06 -1.41 0.28 0.00 -0.71 0.00 0.00 33.22 31.44 1ijb n MET 630 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ijb n SER 631 N 0.83 3.50 -0.32 7.83 7.64 -0.67 -4.63 113.62 127.79 1ijb n SER 631 Ca 0.11 -1.99 0.10 0.00 1.01 0.00 0.00 58.87 58.11 1ijb n SER 631 Cb 0.51 -0.39 0.27 0.00 -1.01 0.00 0.00 64.21 63.59 1ijb n SER 631 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ijb h ARG 632 N 4.01 0.65 -0.64 1.43 3.08 -1.80 -2.10 114.38 119.00 1ijb h ARG 632 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ijb h ARG 632 Cb 0.91 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1ijb h ARG 632 CO 0.00 0.43 0.00 0.09 -1.07 0.00 0.00 179.97 179.42 1ijb n ASN 633 N -4.84 4.07 -0.01 7.04 3.02 -1.26 -4.69 115.26 118.58 1ijb n ASN 633 Ca 0.20 -2.16 -0.11 0.00 -0.03 0.00 0.00 54.58 52.47 1ijb n ASN 633 Cb 0.51 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1ijb n ASN 633 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ijb h PHE 634 N 3.85 -1.11 -0.75 3.10 3.57 -1.68 -0.48 116.94 123.44 1ijb h PHE 634 Ca 0.00 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ijb h PHE 634 Cb 1.11 0.51 -0.04 0.00 2.79 0.00 0.00 35.95 40.32 1ijb h PHE 634 CO 0.54 -0.45 0.50 0.28 -2.23 0.00 0.00 178.31 176.95 1ijb h VAL 635 N -0.45 1.18 -0.41 1.41 2.07 -1.83 -1.76 116.25 116.45 1ijb h VAL 635 Ca 0.09 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1ijb h VAL 635 Cb 0.60 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1ijb h VAL 635 CO -0.40 0.18 -0.15 0.03 0.02 0.00 0.00 177.57 177.25 1ijb h ARG 636 N 1.00 0.76 -0.19 1.57 2.47 -1.64 -0.94 114.38 117.41 1ijb h ARG 636 Ca 0.28 -0.27 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 1ijb h ARG 636 Cb -0.08 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1ijb h ARG 636 CO -0.07 0.87 -0.58 1.88 0.56 0.00 0.00 179.97 182.64 1ijb h TYR 637 N 0.68 0.76 -0.58 3.04 0.05 -0.61 0.05 116.97 120.37 1ijb h TYR 637 Ca 0.11 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.51 1ijb h TYR 637 Cb 0.63 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1ijb h TYR 637 CO 0.03 1.03 -0.01 0.28 -1.05 0.00 0.00 178.16 178.44 1ijb h VAL 638 N 0.46 1.27 -0.18 -2.88 2.07 -1.18 -1.24 116.25 114.57 1ijb h VAL 638 Ca 0.00 -1.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 1ijb h VAL 638 Cb 1.14 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1ijb h VAL 638 CO 0.11 0.42 -0.39 1.56 0.02 0.00 0.00 177.57 179.28 1ijb h GLN 639 N 0.92 0.41 -0.79 1.57 4.20 -1.06 -1.14 115.11 119.22 1ijb h GLN 639 Ca 0.16 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1ijb h GLN 639 Cb 0.57 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1ijb h GLN 639 CO 0.03 0.74 0.30 0.78 -0.67 0.00 0.00 178.83 180.01 1ijb h GLY 640 N 1.13 1.28 1.00 3.46 0.00 -0.57 -0.90 103.07 108.47 1ijb h GLY 640 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 1ijb h GLY 640 CO 0.07 0.67 -0.08 1.41 0.00 0.00 0.00 176.54 178.60 1ijb h LEU 641 N 1.15 0.82 -0.97 3.11 3.38 -0.94 -2.93 115.31 118.94 1ijb h LEU 641 Ca 0.26 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ijb h LEU 641 Cb 0.24 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1ijb h LEU 641 CO -0.02 0.98 0.63 0.50 0.09 0.00 0.00 178.44 180.63 1ijb h LYS 642 N 0.65 1.21 0.00 1.13 3.11 -0.82 0.71 116.57 122.55 1ijb h LYS 642 Ca 0.11 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1ijb h LYS 642 Cb 0.61 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1ijb h LYS 642 CO 0.04 0.80 0.00 0.87 -2.81 0.00 0.00 179.45 178.35 1ijb h LYS 643 N 1.25 0.00 -0.49 1.90 1.57 -1.00 -1.35 116.57 118.44 1ijb h LYS 643 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1ijb h LYS 643 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ijb h LYS 643 CO -0.11 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.40 1ijb n LYS 644 N -2.43 3.23 -3.03 3.15 5.02 -0.50 -4.94 118.16 118.66 1ijb n LYS 644 Ca 0.01 -2.60 -0.22 0.00 -2.02 0.00 0.00 58.31 53.48 1ijb n LYS 644 Cb 0.23 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1ijb n LYS 644 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ijb n LYS 645 N 0.66 -4.52 -3.18 1.97 3.00 -0.51 -4.94 118.16 110.64 1ijb n LYS 645 Ca 0.20 0.85 -0.43 0.00 -0.00 0.00 0.00 58.31 58.94 1ijb n LYS 645 Cb 0.72 -5.69 -0.07 0.00 0.00 0.00 0.00 35.03 30.00 1ijb n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ijb s VAL 646 N -3.13 4.91 -0.01 3.15 1.01 0.12 -4.13 120.40 122.32 1ijb s VAL 646 Ca 0.30 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1ijb s VAL 646 Cb -0.14 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1ijb s VAL 646 CO 0.37 -0.58 1.08 -0.63 0.00 0.00 0.00 175.10 175.34 1ijb s ILE 647 N 2.59 4.53 -0.24 2.22 1.01 0.67 -4.15 121.20 127.84 1ijb s ILE 647 Ca 0.18 1.82 -0.06 0.00 0.00 0.00 0.00 60.65 62.59 1ijb s ILE 647 Cb -0.16 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1ijb s ILE 647 CO 0.16 0.10 0.04 -0.69 0.00 0.00 0.00 174.94 174.55 1ijb s VAL 648 N 1.38 4.05 -0.45 2.92 1.01 -1.26 -0.24 120.40 127.82 1ijb s VAL 648 Ca 0.54 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1ijb s VAL 648 Cb -0.23 -2.88 0.12 0.00 0.00 0.00 0.00 36.38 33.38 1ijb s VAL 648 CO 0.26 0.36 0.27 -0.63 0.00 0.00 0.00 175.10 175.36 1ijb s ILE 649 N 1.57 3.64 0.03 2.22 1.01 0.25 -3.99 121.20 125.93 1ijb s ILE 649 Ca 0.06 -2.04 -0.28 0.00 0.00 0.00 0.00 60.65 58.39 1ijb s ILE 649 Cb -0.15 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1ijb s ILE 649 CO 0.02 -0.74 0.89 -2.16 0.00 0.00 0.00 174.94 172.95 1ijb s PRO 650 N 1.11 4.56 -0.33 2.79 0.04 -1.24 -1.38 135.00 140.55 1ijb s PRO 650 Ca 0.08 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1ijb s PRO 650 Cb -0.24 -3.42 0.08 0.00 0.04 0.00 0.00 34.50 30.97 1ijb s PRO 650 CO -0.03 0.11 0.04 0.08 0.04 0.00 0.00 177.00 177.24 1ijb s VAL 651 N 0.49 2.74 -0.18 -0.36 1.01 0.50 -1.17 120.40 123.43 1ijb s VAL 651 Ca 0.46 -1.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 1ijb s VAL 651 Cb -0.21 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1ijb s VAL 651 CO 0.26 -0.36 0.82 -0.83 0.00 0.00 0.00 175.10 174.99 1ijb s GLY 652 N 1.28 2.05 -0.28 4.51 0.00 0.56 -1.29 107.32 114.15 1ijb s GLY 652 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1ijb s GLY 652 CO -0.04 1.67 -0.06 -0.42 0.00 0.00 0.00 173.10 174.25 1ijb s ILE 653 N 2.24 2.57 0.00 0.90 1.01 0.13 0.39 121.20 128.45 1ijb s ILE 653 Ca 0.37 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1ijb s ILE 653 Cb -0.16 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1ijb s ILE 653 CO 0.11 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1ijb n GLY 654 N 4.52 -0.81 0.16 6.18 0.00 -0.63 -4.32 105.19 110.30 1ijb n GLY 654 Ca -0.14 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.34 1ijb n GLY 654 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ijb h PRO 655 N 0.00 0.00 -0.01 1.61 0.13 -1.88 -2.99 132.00 128.87 1ijb h PRO 655 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ijb h PRO 655 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ijb h PRO 655 CO 0.00 0.00 -0.18 0.72 -0.23 0.00 0.00 178.00 178.31 1ijb n HIS 656 N -2.42 0.00 -1.86 1.56 8.25 -1.26 -4.91 115.22 114.58 1ijb n HIS 656 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.09 1ijb n HIS 656 Cb 0.26 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.26 1ijb n HIS 656 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ijb s ALA 657 N -2.44 3.15 -1.23 -1.41 0.00 -1.13 -2.67 121.76 116.04 1ijb s ALA 657 Ca 0.28 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.41 1ijb s ALA 657 Cb 0.20 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1ijb s ALA 657 CO 0.48 -1.13 1.80 1.21 0.00 0.00 0.00 175.76 178.12 1ijb s ASN 658 N -0.67 6.08 0.45 0.00 3.84 -0.58 -4.78 114.94 119.29 1ijb s ASN 658 Ca 0.62 -2.04 0.11 0.00 0.21 0.00 0.00 52.86 51.76 1ijb s ASN 658 Cb -0.41 -2.58 1.03 0.00 -0.55 0.00 0.00 41.25 38.73 1ijb s ASN 658 CO 0.52 -1.97 2.08 -0.07 -2.79 0.00 0.00 177.10 174.88 1ijb h LEU 659 N 14.72 0.24 -0.59 3.21 -0.00 -1.90 -1.71 115.31 129.28 1ijb h LEU 659 Ca 0.34 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.17 1ijb h LEU 659 Cb 0.91 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.48 1ijb h LEU 659 CO 1.36 0.20 0.24 0.50 -0.00 0.00 0.00 178.44 180.74 1ijb h LYS 660 N 0.28 0.88 -0.23 1.13 1.63 -2.00 -0.95 116.57 117.32 1ijb h LYS 660 Ca 0.07 -0.16 -0.15 0.00 -0.85 0.00 0.00 60.65 59.56 1ijb h LYS 660 Cb 0.01 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 1ijb h LYS 660 CO -0.01 0.76 -0.49 1.96 -3.45 0.00 0.00 179.45 178.22 1ijb h GLN 661 N 0.82 0.62 -0.54 1.90 4.20 -1.83 -2.00 115.11 118.28 1ijb h GLN 661 Ca 0.20 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1ijb h GLN 661 Cb 0.20 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1ijb h GLN 661 CO -0.02 0.97 0.33 0.82 -0.67 0.00 0.00 178.83 180.26 1ijb h ILE 662 N 0.49 1.07 -0.62 2.54 2.04 -0.98 -0.25 117.51 121.79 1ijb h ILE 662 Ca 0.02 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1ijb h ILE 662 Cb 1.03 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1ijb h ILE 662 CO 0.10 0.12 0.14 0.03 0.00 0.00 0.00 178.15 178.54 1ijb h ARG 663 N 0.65 0.98 -0.69 2.37 -0.00 -1.02 -1.96 114.38 114.72 1ijb h ARG 663 Ca 0.21 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.98 59.41 1ijb h ARG 663 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 29.97 29.81 1ijb h ARG 663 CO -0.09 0.88 0.19 -0.07 0.00 0.00 0.00 179.97 180.88 1ijb h LEU 664 N 0.93 1.02 -0.27 3.04 3.38 -0.72 -2.38 115.31 120.31 1ijb h LEU 664 Ca 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ijb h LEU 664 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ijb h LEU 664 CO 0.00 0.96 0.10 0.40 0.09 0.00 0.00 178.44 180.00 1ijb h ILE 665 N 1.03 1.18 -0.91 1.22 2.04 -0.71 -2.86 117.51 118.51 1ijb h ILE 665 Ca 0.22 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1ijb h ILE 665 Cb 0.33 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1ijb h ILE 665 CO -0.00 0.18 0.59 -0.33 0.00 0.00 0.00 178.15 178.60 1ijb h GLU 666 N 0.28 1.05 -0.12 2.37 5.08 -1.17 -2.48 114.58 119.59 1ijb h GLU 666 Ca 0.09 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1ijb h GLU 666 Cb 0.19 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ijb h GLU 666 CO -0.01 0.69 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.33 1ijb h LYS 667 N 1.08 0.19 -0.51 2.33 3.64 -1.22 -3.26 116.57 118.82 1ijb h LYS 667 Ca 0.38 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1ijb h LYS 667 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ijb h LYS 667 CO -0.13 0.35 0.10 1.96 -2.27 0.00 0.00 179.45 179.45 1ijb h GLN 668 N 0.18 0.79 -2.81 1.90 1.08 -1.23 -3.45 115.11 111.56 1ijb h GLN 668 Ca 0.04 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 1ijb h GLN 668 Cb 0.38 -0.11 -0.23 0.00 -0.05 0.00 0.00 27.48 27.46 1ijb h GLN 668 CO 0.02 0.73 -0.24 0.00 -0.95 0.00 0.00 178.83 178.39 1ijb s ALA 669 N -5.15 -0.96 0.31 3.87 0.00 -1.23 -5.05 121.76 113.55 1ijb s ALA 669 Ca -0.09 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1ijb s ALA 669 Cb 0.15 -0.43 0.67 0.00 0.00 0.00 0.00 23.12 23.51 1ijb s ALA 669 CO 0.80 -0.21 1.85 -1.00 0.00 0.00 0.00 175.76 177.19 1ijb h PRO 670 N 4.99 0.84 0.00 0.00 0.13 -1.87 -1.35 132.00 134.73 1ijb h PRO 670 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ijb h PRO 670 Cb 1.18 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1ijb h PRO 670 CO 0.30 0.55 0.00 0.93 -0.23 0.00 0.00 178.00 179.55 1ijb h GLU 671 N 0.86 0.00 -5.75 0.86 3.07 -1.97 -3.40 114.58 108.25 1ijb h GLU 671 Ca 0.48 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.02 1ijb h GLU 671 Cb 0.60 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.47 1ijb h GLU 671 CO -0.25 0.00 0.82 -0.80 -1.40 0.00 0.00 179.01 177.38 1ijb s ASN 672 N -5.41 5.17 -0.15 1.42 -0.87 -0.51 -4.83 114.94 109.76 1ijb s ASN 672 Ca 0.03 -0.56 -0.06 0.00 -1.57 0.00 0.00 52.86 50.70 1ijb s ASN 672 Cb 0.09 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 1ijb s ASN 672 CO 0.53 -2.69 0.06 -0.75 -2.57 0.00 0.00 177.10 171.69 1ijb s LYS 673 N 6.99 3.65 0.11 -0.60 2.20 -1.26 -4.32 119.74 126.52 1ijb s LYS 673 Ca 0.69 -0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 1ijb s LYS 673 Cb -0.07 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1ijb s LYS 673 CO 0.02 0.48 0.35 0.00 -0.36 0.00 0.00 175.35 175.83 1ijb s ALA 674 N -0.20 3.82 -0.21 3.13 0.00 -1.26 -3.72 121.76 123.32 1ijb s ALA 674 Ca 0.08 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1ijb s ALA 674 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 20.95 1ijb s ALA 674 CO 0.01 0.68 -0.05 -0.06 0.00 0.00 0.00 175.76 176.34 1ijb s PHE 675 N -1.57 2.03 -0.32 0.00 0.40 -0.32 -5.00 117.98 113.20 1ijb s PHE 675 Ca 0.38 -1.44 -0.10 0.00 -0.60 0.00 0.00 56.93 55.17 1ijb s PHE 675 Cb -0.13 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 41.96 1ijb s PHE 675 CO 0.23 -0.71 0.17 0.08 0.70 0.00 0.00 175.22 175.69 1ijb s VAL 676 N 1.52 4.66 0.15 -0.44 1.01 -1.26 -0.32 120.40 125.71 1ijb s VAL 676 Ca -0.03 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1ijb s VAL 676 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1ijb s VAL 676 CO -0.07 0.01 -0.13 -0.76 0.00 0.00 0.00 175.10 174.15 1ijb s LEU 677 N 1.61 2.87 0.26 3.92 1.02 0.16 -4.95 118.68 123.57 1ijb s LEU 677 Ca 0.04 -0.56 0.12 0.00 0.02 0.00 0.00 54.13 53.76 1ijb s LEU 677 Cb -0.17 -1.62 0.23 0.00 0.02 0.00 0.00 46.19 44.64 1ijb s LEU 677 CO 0.07 0.14 1.52 0.28 0.02 0.00 0.00 176.35 178.38 1ijb h SER 678 N 3.30 0.00 -5.34 2.29 0.02 -1.93 -1.67 113.55 110.21 1ijb h SER 678 Ca -0.48 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.64 1ijb h SER 678 Cb 1.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1ijb h SER 678 CO 0.51 0.64 0.50 -0.94 -1.14 0.00 0.00 176.83 176.40 1ijb s SER 679 N -6.63 -0.14 0.60 3.07 1.04 -1.26 -3.21 113.70 107.16 1ijb s SER 679 Ca 0.01 -0.46 0.34 0.00 0.48 0.00 0.00 55.95 56.32 1ijb s SER 679 Cb 0.11 0.50 1.90 0.00 0.10 0.00 0.00 66.02 68.62 1ijb s SER 679 CO 0.76 -0.93 2.23 -0.37 0.98 0.00 0.00 173.24 175.91 1ijb h VAL 680 N 2.00 0.32 0.00 5.02 -1.51 -1.92 -2.04 116.25 118.12 1ijb h VAL 680 Ca -0.25 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1ijb h VAL 680 Cb 1.23 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1ijb h VAL 680 CO 0.27 0.03 0.00 0.44 -1.23 0.00 0.00 177.57 177.08 1ijb h ASP 681 N 0.00 0.00 0.28 4.19 3.32 -1.95 -2.16 116.42 120.09 1ijb h ASP 681 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ijb h ASP 681 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ijb h ASP 681 CO 0.00 0.00 -0.45 -0.62 -1.72 0.00 0.00 179.24 176.46 1ijb n GLU 682 N -2.34 0.48 -0.06 3.56 1.02 -0.76 -4.32 120.64 118.21 1ijb n GLU 682 Ca 0.01 -0.31 -0.09 0.00 -0.02 0.00 0.00 57.16 56.74 1ijb n GLU 682 Cb 0.19 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1ijb n GLU 682 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ijb h LEU 683 N 0.76 0.24 -1.54 -4.62 3.38 -1.53 -2.46 115.31 109.54 1ijb h LEU 683 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ijb h LEU 683 Cb 0.53 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1ijb h LEU 683 CO 0.00 0.18 0.35 -0.08 0.09 0.00 0.00 178.44 178.98 1ijb h GLU 684 N 0.30 0.58 -0.61 1.13 4.81 -1.77 0.43 114.58 119.44 1ijb h GLU 684 Ca 0.09 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ijb h GLU 684 Cb -0.02 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1ijb h GLU 684 CO -0.03 0.38 0.21 1.96 -0.73 0.00 0.00 179.01 180.80 1ijb h GLN 685 N 0.60 0.91 -0.14 1.92 4.20 -1.70 -3.10 115.11 117.80 1ijb h GLN 685 Ca 0.21 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ijb h GLN 685 Cb 0.10 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ijb h GLN 685 CO -0.06 0.78 0.00 1.04 -0.67 0.00 0.00 178.83 179.92 1ijb n GLN 686 N -4.29 2.00 0.06 1.46 6.02 -0.75 -4.69 117.38 117.18 1ijb n GLN 686 Ca 0.05 -1.86 -0.12 0.00 -0.01 0.00 0.00 57.00 55.06 1ijb n GLN 686 Cb 0.20 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 1ijb n GLN 686 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ijb h ARG 687 N 3.93 -0.47 -0.40 -1.09 2.43 -0.86 -1.16 114.38 116.75 1ijb h ARG 687 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ijb h ARG 687 Cb 0.86 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1ijb h ARG 687 CO 0.00 -0.31 0.10 -0.44 -1.51 0.00 0.00 179.97 177.81 1ijb h ASP 688 N -0.48 0.54 -0.44 -3.80 3.32 -1.84 -0.25 116.42 113.48 1ijb h ASP 688 Ca 0.06 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1ijb h ASP 688 Cb 0.57 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1ijb h ASP 688 CO -0.28 0.55 0.15 -0.08 -1.72 0.00 0.00 179.24 177.86 1ijb h GLU 689 N 0.58 0.67 -0.39 3.56 4.81 -1.79 -0.17 114.58 121.85 1ijb h GLU 689 Ca 0.14 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ijb h GLU 689 Cb 0.22 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1ijb h GLU 689 CO -0.00 0.64 0.19 0.82 -0.73 0.00 0.00 179.01 179.92 1ijb h ILE 690 N 0.56 1.17 -0.56 2.32 2.04 -0.57 -1.17 117.51 121.31 1ijb h ILE 690 Ca 0.14 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1ijb h ILE 690 Cb 0.24 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1ijb h ILE 690 CO -0.01 0.18 0.32 0.58 0.00 0.00 0.00 178.15 179.22 1ijb h VAL 691 N 0.50 1.18 -0.46 1.67 2.07 -0.85 -2.16 116.25 118.20 1ijb h VAL 691 Ca 0.13 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ijb h VAL 691 Cb 0.12 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1ijb h VAL 691 CO -0.02 0.19 0.29 0.28 0.02 0.00 0.00 177.57 178.33 1ijb h SER 692 N 0.75 0.49 0.11 0.57 0.02 -0.82 -0.15 113.55 114.52 1ijb h SER 692 Ca 0.20 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ijb h SER 692 Cb 0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1ijb h SER 692 CO -0.03 0.35 -0.14 0.22 -1.14 0.00 0.00 176.83 176.09 1ijb h TYR 693 N 0.59 -0.36 -0.18 3.45 3.20 -0.89 -1.29 116.97 121.49 1ijb h TYR 693 Ca 0.17 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.89 1ijb h TYR 693 Cb -0.04 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1ijb h TYR 693 CO -0.05 -0.21 -0.55 1.37 -1.64 0.00 0.00 178.16 177.07 1ijb h LEU 694 N -0.29 0.59 -0.75 2.82 8.10 -1.31 -3.00 115.31 121.46 1ijb h LEU 694 Ca 0.01 -0.32 -0.04 0.00 0.11 0.00 0.00 57.88 57.64 1ijb h LEU 694 Cb 0.29 -0.17 -0.03 0.00 -0.44 0.00 0.00 40.66 40.31 1ijb h LEU 694 CO -0.06 1.02 0.31 0.00 -4.11 0.00 0.00 178.44 175.60 1ijb h ASP 696 N 1.07 0.00 0.67 0.00 3.58 -1.14 -1.83 116.42 118.77 1ijb h ASP 696 Ca 0.25 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.58 1ijb h ASP 696 Cb 0.20 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1ijb h ASP 696 CO -0.02 0.01 -0.58 -0.07 -2.88 0.00 0.00 179.24 175.70 1ijb h LEU 697 N 0.00 0.00-10.14 2.28 4.07 -1.21 -3.46 115.31 106.85 1ijb h LEU 697 Ca -0.00 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 1ijb h LEU 697 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1ijb h LEU 697 CO 0.00 0.58 0.30 0.00 -1.08 0.00 0.00 178.44 178.24 1ijb s ALA 698 N -3.59 3.13 0.47 1.53 0.00 -0.69 -4.94 121.76 117.68 1ijb s ALA 698 Ca -0.01 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1ijb s ALA 698 Cb 0.12 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 1ijb s ALA 698 CO 0.75 -0.06 1.05 -2.14 0.00 0.00 0.00 175.76 175.36 1ijb s PRO 699 N -3.72 3.83 0.37 0.00 0.02 -1.26 -4.85 135.00 129.40 1ijb s PRO 699 Ca 0.58 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.84 1ijb s PRO 699 Cb -0.10 -2.18 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 1ijb s PRO 699 CO 0.26 -0.41 0.83 -1.21 -0.33 0.00 0.00 177.00 176.13 1ijb s GLU 700 N -3.09 4.08 0.00 5.54 2.02 -1.26 -1.70 118.70 124.29 1ijb s GLU 700 Ca 0.66 0.85 0.15 0.00 0.02 0.00 0.00 54.97 56.64 1ijb s GLU 700 Cb -0.18 -2.32 0.87 0.00 0.10 0.00 0.00 34.13 32.60 1ijb s GLU 700 CO 0.22 0.07 1.29 0.00 0.02 0.00 0.00 175.26 176.86