#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c4q s PRO 502 N 0.00 3.64 0.37 -2.82 0.04 -1.26 -4.79 135.00 130.18 1c4q s PRO 502 Ca 0.00 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 1c4q s PRO 502 Cb 0.00 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1c4q s PRO 502 CO 0.00 -0.58 1.35 -0.51 0.04 0.00 0.00 177.00 177.30 1c4q s ASP 503 N -1.91 6.53 -0.08 6.66 1.01 -1.26 -1.85 116.67 125.77 1c4q s ASP 503 Ca 0.69 2.76 -0.06 0.00 0.71 0.00 0.00 52.55 56.65 1c4q s ASP 503 Cb -0.19 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.05 1c4q s ASP 503 CO 0.22 -0.71 -0.14 0.00 0.21 0.00 0.00 175.17 174.75 1c4q s VAL 505 N -2.27 0.05 -0.01 0.00 -7.23 -1.14 -5.01 120.40 104.79 1c4q s VAL 505 Ca -0.14 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 1c4q s VAL 505 Cb 0.04 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.60 1c4q s VAL 505 CO 0.19 -0.22 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.78 1c4q s THR 506 N -0.79 0.73 -5.00 5.32 2.01 -1.26 -0.78 115.64 115.87 1c4q s THR 506 Ca -0.09 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1c4q s THR 506 Cb -0.05 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1c4q s THR 506 CO 0.01 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1c4q n GLY 507 N 2.88 -1.67 3.85 4.40 0.00 -0.36 -4.63 105.19 109.66 1c4q n GLY 507 Ca -0.14 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1c4q n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c4q s LYS 508 N -1.94 3.97 -0.12 1.61 1.02 -1.26 -0.73 119.74 122.28 1c4q s LYS 508 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.29 1c4q s LYS 508 Cb 0.00 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1c4q s LYS 508 CO 0.00 0.20 1.32 0.08 -0.92 0.00 0.00 175.35 176.04 1c4q s VAL 509 N -1.92 4.12 -0.10 3.17 1.01 -1.26 -4.44 120.40 120.98 1c4q s VAL 509 Ca 0.52 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1c4q s VAL 509 Cb -0.11 -3.89 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 1c4q s VAL 509 CO 0.18 -0.09 0.91 -0.08 0.00 0.00 0.00 175.10 176.02 1c4q h GLU 510 N 8.25 0.06 -3.21 2.72 4.81 -1.44 -3.47 114.58 122.31 1c4q h GLU 510 Ca -0.31 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1c4q h GLU 510 Cb 1.13 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.44 1c4q h GLU 510 CO 0.95 0.93 0.09 1.52 -0.73 0.00 0.00 179.01 181.76 1c4q s TYR 511 N -2.72 -0.22 0.17 0.92 -0.85 -1.25 -5.02 117.35 108.39 1c4q s TYR 511 Ca -0.17 -0.11 0.07 0.00 -0.52 0.00 0.00 57.07 56.33 1c4q s TYR 511 Cb -0.01 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1c4q s TYR 511 CO 0.71 -0.93 -0.13 0.95 -1.52 0.00 0.00 175.55 174.62 1c4q s THR 512 N -3.85 1.51 -0.10 -3.49 -4.23 -1.26 -1.91 115.64 102.31 1c4q s THR 512 Ca 0.07 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1c4q s THR 512 Cb -0.01 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 71.97 1c4q s THR 512 CO -0.04 -0.59 0.25 -0.75 -0.54 0.00 0.00 174.62 172.95 1c4q s LYS 513 N -3.46 0.25 -0.10 3.99 2.20 0.13 -4.98 119.74 117.76 1c4q s LYS 513 Ca 0.18 0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 56.08 1c4q s LYS 513 Cb -0.01 -0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 36.26 1c4q s LYS 513 CO 0.04 -0.11 0.44 -0.47 -0.36 0.00 0.00 175.35 174.89 1c4q s TYR 514 N 0.80 3.54 0.23 4.03 6.14 -1.26 -0.64 117.35 130.19 1c4q s TYR 514 Ca -0.05 0.87 0.05 0.00 0.64 0.00 0.00 57.07 58.57 1c4q s TYR 514 Cb -0.07 -2.48 -0.03 0.00 0.42 0.00 0.00 41.96 39.80 1c4q s TYR 514 CO -0.05 0.26 0.32 -0.80 0.64 0.00 0.00 175.55 175.91 1c4q s ASN 515 N 0.31 6.17 0.56 4.32 0.01 -0.43 -5.00 114.94 120.88 1c4q s ASN 515 Ca 0.24 0.02 0.25 0.00 -0.71 0.00 0.00 52.86 52.66 1c4q s ASN 515 Cb -0.15 -1.78 1.59 0.00 0.41 0.00 0.00 41.25 41.33 1c4q s ASN 515 CO 0.10 -0.05 2.18 -0.78 -1.51 0.00 0.00 177.10 177.04 1c4q h ASP 516 N 1.38 0.00 -0.42 -1.22 3.58 -1.98 -1.07 116.42 116.69 1c4q h ASP 516 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1c4q h ASP 516 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1c4q h ASP 516 CO 0.62 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.08 1c4q n ASP 517 N -4.09 4.03 0.00 2.28 5.68 -1.26 -4.92 116.55 118.28 1c4q n ASP 517 Ca -0.01 -2.53 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 1c4q n ASP 517 Cb 0.16 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1c4q n ASP 517 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1c4q n ASP 518 N 0.54 -3.15 -4.80 -1.12 8.00 -0.41 -5.02 116.55 110.59 1c4q n ASP 518 Ca 0.19 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.42 1c4q n ASP 518 Cb 0.83 -1.54 0.09 0.00 -0.02 0.00 0.00 41.12 40.48 1c4q n ASP 518 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1c4q s THR 519 N -1.89 2.16 -0.05 -3.53 -4.23 -1.26 -4.85 115.64 101.99 1c4q s THR 519 Ca 0.00 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1c4q s THR 519 Cb 0.00 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1c4q s THR 519 CO 0.00 0.00 0.00 0.12 -0.54 0.00 0.00 174.62 174.20 1c4q s PHE 520 N -3.41 0.47 -0.10 3.99 5.36 -0.26 -1.31 117.98 122.72 1c4q s PHE 520 Ca 0.63 -0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1c4q s PHE 520 Cb -0.09 -0.60 -0.04 0.00 -0.34 0.00 0.00 43.02 41.95 1c4q s PHE 520 CO 0.47 -0.22 0.12 0.99 -1.46 0.00 0.00 175.22 175.12 1c4q s THR 521 N 1.49 5.27 -0.02 0.12 2.01 0.19 -0.85 115.64 123.86 1c4q s THR 521 Ca -0.03 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1c4q s THR 521 Cb -0.13 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 1c4q s THR 521 CO -0.03 0.59 -0.14 0.54 -0.69 0.00 0.00 174.62 174.89 1c4q s VAL 522 N -1.03 1.14 -0.29 3.82 0.11 0.24 -0.70 120.40 123.70 1c4q s VAL 522 Ca 0.16 -0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 58.54 1c4q s VAL 522 Cb -0.12 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1c4q s VAL 522 CO 0.05 0.33 0.08 -0.75 -3.33 0.00 0.00 175.10 171.48 1c4q s LYS 523 N -0.19 3.13 -0.04 1.54 2.47 -0.80 -1.11 119.74 124.74 1c4q s LYS 523 Ca 0.03 -0.83 0.02 0.00 -1.56 0.00 0.00 55.97 53.63 1c4q s LYS 523 Cb -0.07 -3.37 0.01 0.00 -1.46 0.00 0.00 37.83 32.94 1c4q s LYS 523 CO 0.00 -0.43 -0.09 0.08 0.16 0.00 0.00 175.35 175.07 1c4q s VAL 524 N 1.51 0.84 0.00 4.02 1.01 -0.89 -0.94 120.40 125.95 1c4q s VAL 524 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1c4q s VAL 524 Cb -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1c4q s VAL 524 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1c4q n GLY 525 N 3.59 2.75 1.66 4.51 0.00 -1.26 -2.44 105.19 114.00 1c4q n GLY 525 Ca -0.21 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1c4q n GLY 525 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1c4q n ASP 526 N 3.80 5.18 -4.11 1.61 5.75 -1.26 -4.96 116.55 122.56 1c4q n ASP 526 Ca 0.00 -2.77 -0.20 0.00 -0.01 0.00 0.00 54.79 51.81 1c4q n ASP 526 Cb 0.00 -0.63 -0.14 0.00 -1.03 0.00 0.00 41.12 39.32 1c4q n ASP 526 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1c4q s LYS 527 N -2.45 0.93 -0.23 0.11 1.02 -1.02 -4.94 119.74 113.16 1c4q s LYS 527 Ca 0.52 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.79 1c4q s LYS 527 Cb 0.38 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 1c4q s LYS 527 CO 0.18 0.24 0.15 -1.21 -0.92 0.00 0.00 175.35 173.79 1c4q s GLU 528 N -0.78 4.07 0.11 1.68 2.02 -1.26 -2.10 118.70 122.44 1c4q s GLU 528 Ca 0.02 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 54.81 1c4q s GLU 528 Cb -0.06 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1c4q s GLU 528 CO 0.00 0.09 -0.16 -0.51 0.02 0.00 0.00 175.26 174.71 1c4q s LEU 529 N 0.97 2.36 0.04 1.80 1.43 -0.26 -0.04 118.68 124.97 1c4q s LEU 529 Ca 0.07 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1c4q s LEU 529 Cb -0.13 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1c4q s LEU 529 CO 0.04 -0.08 -0.15 0.00 0.23 0.00 0.00 176.35 176.39 1c4q s ALA 530 N -1.74 1.22 0.04 4.21 0.00 -0.25 -0.59 121.76 124.65 1c4q s ALA 530 Ca 0.07 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1c4q s ALA 530 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1c4q s ALA 530 CO 0.03 0.24 -0.18 -0.08 0.00 0.00 0.00 175.76 175.77 1c4q s THR 531 N -0.83 1.44 -2.08 0.00 -1.32 -0.03 -1.42 115.64 111.41 1c4q s THR 531 Ca 0.02 -1.13 0.23 0.00 -1.21 0.00 0.00 61.69 59.61 1c4q s THR 531 Cb -0.08 -1.27 0.62 0.00 -1.51 0.00 0.00 72.50 70.26 1c4q s THR 531 CO 0.01 0.12 1.53 -0.46 -2.21 0.00 0.00 174.62 173.60 1c4q n ASN 532 N 1.85 3.91 -4.49 8.08 6.94 -1.26 -1.10 115.26 129.19 1c4q n ASN 532 Ca -0.18 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 51.95 1c4q n ASN 532 Cb 0.54 -0.46 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1c4q n ASN 532 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1c4q s ARG 533 N -1.08 3.23 0.43 -3.83 1.81 -1.26 -4.91 118.95 113.33 1c4q s ARG 533 Ca 0.48 -0.56 0.12 0.00 -1.72 0.00 0.00 55.73 54.05 1c4q s ARG 533 Cb 0.25 -4.03 0.99 0.00 -0.45 0.00 0.00 34.95 31.71 1c4q s ARG 533 CO 0.34 -1.20 2.01 0.00 -0.68 0.00 0.00 175.30 175.76 1c4q h ALA 534 N 9.02 1.93 0.00 2.13 0.00 -1.90 -2.50 119.26 127.94 1c4q h ALA 534 Ca -0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1c4q h ALA 534 Cb 1.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1c4q h ALA 534 CO 0.97 -0.03 -0.05 -0.91 0.00 0.00 0.00 179.25 179.23 1c4q h ASN 535 N 0.43 0.00 1.15 0.00 2.35 -2.01 -2.16 115.58 115.34 1c4q h ASN 535 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1c4q h ASN 535 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1c4q h ASN 535 CO -0.06 0.05 0.00 0.18 -1.65 0.00 0.00 177.43 175.95 1c4q n LEU 536 N -4.05 0.46 0.27 1.61 4.77 -0.94 -4.07 117.00 115.05 1c4q n LEU 536 Ca -0.03 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 1c4q n LEU 536 Cb 0.13 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1c4q n LEU 536 CO 0.31 -0.18 0.62 1.56 -1.33 0.00 0.00 177.39 178.38 1c4q h GLN 537 N 0.00 -0.63 -0.27 3.23 4.20 -1.53 0.20 115.11 120.31 1c4q h GLN 537 Ca 0.00 0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1c4q h GLN 537 Cb 0.57 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1c4q h GLN 537 CO 0.00 -0.36 -0.26 0.66 -0.67 0.00 0.00 178.83 178.20 1c4q h SER 538 N -0.78 0.53 -0.47 1.46 4.64 -1.77 -1.63 113.55 115.52 1c4q h SER 538 Ca -0.07 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1c4q h SER 538 Cb 0.56 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1c4q h SER 538 CO 0.11 0.78 0.20 -0.07 -0.87 0.00 0.00 176.83 176.98 1c4q h LEU 539 N 0.46 0.64 -0.40 5.97 3.38 -1.67 -1.28 115.31 122.41 1c4q h LEU 539 Ca 0.07 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1c4q h LEU 539 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1c4q h LEU 539 CO 0.05 0.62 -0.36 -0.07 0.09 0.00 0.00 178.44 178.76 1c4q h LEU 540 N 0.62 1.01 -0.87 1.67 3.38 -0.68 -1.47 115.31 118.97 1c4q h LEU 540 Ca 0.16 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1c4q h LEU 540 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1c4q h LEU 540 CO -0.02 1.26 0.29 0.25 0.09 0.00 0.00 178.44 180.31 1c4q h LEU 541 N 0.78 1.03 -0.50 1.67 5.85 -1.21 -0.71 115.31 122.21 1c4q h LEU 541 Ca 0.07 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1c4q h LEU 541 Cb 0.96 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1c4q h LEU 541 CO 0.09 0.92 0.26 0.28 -0.34 0.00 0.00 178.44 179.65 1c4q h SER 542 N 1.09 0.64 -0.53 1.25 0.02 -1.00 -0.40 113.55 114.62 1c4q h SER 542 Ca 0.25 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1c4q h SER 542 Cb 0.22 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1c4q h SER 542 CO -0.02 0.57 0.16 0.00 -1.14 0.00 0.00 176.83 176.40 1c4q h ALA 543 N 1.10 1.20 -0.22 3.77 0.00 -0.86 -1.73 119.26 122.51 1c4q h ALA 543 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1c4q h ALA 543 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1c4q h ALA 543 CO -0.02 0.56 -0.01 0.37 0.00 0.00 0.00 179.25 180.15 1c4q h GLN 544 N 0.85 0.40 -0.59 0.00 4.15 -0.61 -0.49 115.11 118.82 1c4q h GLN 544 Ca 0.19 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1c4q h GLN 544 Cb 0.28 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1c4q h GLN 544 CO -0.01 0.59 0.21 0.82 -1.93 0.00 0.00 178.83 178.52 1c4q h ILE 545 N 0.16 1.23 -0.01 2.39 2.04 -0.87 -2.76 117.51 119.71 1c4q h ILE 545 Ca 0.06 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1c4q h ILE 545 Cb 0.42 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1c4q h ILE 545 CO 0.01 0.29 -0.19 0.35 0.00 0.00 0.00 178.15 178.62 1c4q n THR 546 N -4.44 0.00 -1.97 -0.27 -2.24 -0.67 -4.95 114.28 99.74 1c4q n THR 546 Ca 0.03 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1c4q n THR 546 Cb 0.18 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1c4q n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c4q n GLY 547 N 1.32 0.24 3.79 3.38 0.00 -0.30 -5.01 105.19 108.60 1c4q n GLY 547 Ca 0.13 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1c4q n GLY 547 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c4q s MET 548 N -4.01 2.83 -0.12 1.61 -1.94 -0.58 -4.98 119.30 112.10 1c4q s MET 548 Ca 0.00 1.21 -0.19 0.00 -1.71 0.00 0.00 55.69 55.00 1c4q s MET 548 Cb 0.00 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 1c4q s MET 548 CO 0.00 -1.20 0.51 0.99 -0.01 0.00 0.00 175.02 175.30 1c4q s THR 549 N -2.63 5.16 0.12 2.05 2.01 -0.79 -4.39 115.64 117.18 1c4q s THR 549 Ca 0.63 1.02 0.11 0.00 0.31 0.00 0.00 61.69 63.76 1c4q s THR 549 Cb -0.17 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1c4q s THR 549 CO 0.46 0.30 -0.27 0.68 -0.69 0.00 0.00 174.62 175.11 1c4q s VAL 550 N 0.73 2.22 -0.13 3.82 -7.23 0.09 -1.10 120.40 118.80 1c4q s VAL 550 Ca 0.27 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1c4q s VAL 550 Cb -0.15 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1c4q s VAL 550 CO 0.11 0.09 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.89 1c4q s THR 551 N -1.05 2.16 -0.22 5.32 2.01 -0.30 -1.22 115.64 122.33 1c4q s THR 551 Ca 0.13 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1c4q s THR 551 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1c4q s THR 551 CO 0.06 0.55 0.05 -0.63 -0.69 0.00 0.00 174.62 173.95 1c4q s ILE 552 N 0.65 4.27 -0.20 1.82 1.01 0.04 -0.37 121.20 128.42 1c4q s ILE 552 Ca -0.11 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1c4q s ILE 552 Cb -0.16 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1c4q s ILE 552 CO 0.02 0.38 0.08 -0.54 0.00 0.00 0.00 174.94 174.88 1c4q s LYS 553 N 1.24 3.96 -0.19 2.79 1.02 -0.73 -0.32 119.74 127.51 1c4q s LYS 553 Ca 0.04 -0.35 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 1c4q s LYS 553 Cb -0.15 -3.27 0.11 0.00 -0.52 0.00 0.00 37.83 34.01 1c4q s LYS 553 CO 0.03 0.20 0.93 -0.08 -0.92 0.00 0.00 175.35 175.51 1c4q s THR 554 N 0.58 0.00 -0.82 2.17 -1.32 -0.77 -4.00 115.64 111.47 1c4q s THR 554 Ca 0.04 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.78 1c4q s THR 554 Cb -0.13 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.03 1c4q s THR 554 CO 0.01 0.00 1.65 0.59 -2.21 0.00 0.00 174.62 174.66 1c4q n ASN 555 N 1.36 0.52 -3.81 8.08 5.03 -1.26 -4.16 115.26 121.02 1c4q n ASN 555 Ca -0.13 0.31 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 1c4q n ASN 555 Cb 0.57 -0.31 0.02 0.00 -1.02 0.00 0.00 39.78 39.03 1c4q n ASN 555 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1c4q n ALA 556 N -1.67 5.66 -2.75 5.41 0.00 -1.26 -4.93 120.51 120.96 1c4q n ALA 556 Ca 0.05 -4.71 -0.43 0.00 0.00 0.00 0.00 53.44 48.35 1c4q n ALA 556 Cb 0.39 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1c4q n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c4q s HIS 558 N 1.04 -0.32 0.11 0.00 -3.43 -1.26 -5.06 115.29 106.36 1c4q s HIS 558 Ca 0.41 0.04 -0.34 0.00 -0.80 0.00 0.00 55.06 54.38 1c4q s HIS 558 Cb 0.01 0.39 -0.13 0.00 -1.43 0.00 0.00 32.58 31.42 1c4q s HIS 558 CO 0.00 -0.78 1.64 0.09 -2.00 0.00 0.00 174.74 173.69 1c4q n ASN 559 N -0.30 3.17 0.00 7.38 3.02 -1.26 -0.75 115.26 126.52 1c4q n ASN 559 Ca -0.16 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 1c4q n ASN 559 Cb 0.64 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1c4q n ASN 559 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c4q n GLY 560 N 3.63 1.07 3.75 7.41 0.00 0.94 -4.97 105.19 117.02 1c4q n GLY 560 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1c4q n GLY 560 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1c4q s GLY 561 N -1.71 2.70 0.39 -0.02 0.00 0.07 -4.56 107.32 104.19 1c4q s GLY 561 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 44.72 45.65 1c4q s GLY 561 CO 0.00 1.38 0.68 -0.32 0.00 0.00 0.00 173.10 174.84 1c4q s GLY 562 N -1.65 1.70 0.15 0.20 0.00 -1.26 -1.09 107.32 105.37 1c4q s GLY 562 Ca 0.77 -0.49 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 1c4q s GLY 562 CO 0.34 -0.35 0.40 -0.11 0.00 0.00 0.00 173.10 173.38 1c4q s PHE 563 N -2.39 -0.07 0.00 1.90 -0.71 -0.51 -4.55 117.98 111.65 1c4q s PHE 563 Ca 0.46 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.08 1c4q s PHE 563 Cb -0.10 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1c4q s PHE 563 CO 0.36 -0.75 0.00 -1.13 -1.34 0.00 0.00 175.22 172.35 1c4q n SER 564 N -0.24 0.80 -4.74 1.98 3.41 -1.26 -4.33 113.62 109.23 1c4q n SER 564 Ca -0.13 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.12 1c4q n SER 564 Cb 0.63 0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.68 1c4q n SER 564 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1c4q s GLU 565 N -0.34 4.14 -0.10 4.33 2.02 -1.26 -5.07 118.70 122.43 1c4q s GLU 565 Ca 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 1c4q s GLU 565 Cb 0.00 -3.40 0.04 0.00 0.10 0.00 0.00 34.13 30.86 1c4q s GLU 565 CO 0.00 0.33 0.25 0.08 0.02 0.00 0.00 175.26 175.94 1c4q s VAL 566 N 0.27 -0.02 -0.17 2.63 1.01 -1.26 -1.77 120.40 121.08 1c4q s VAL 566 Ca 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1c4q s VAL 566 Cb -0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1c4q s VAL 566 CO -0.01 0.03 0.02 -0.63 0.00 0.00 0.00 175.10 174.51 1c4q s ILE 567 N 0.72 4.41 -0.25 2.22 1.01 0.50 -4.95 121.20 124.86 1c4q s ILE 567 Ca -0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1c4q s ILE 567 Cb -0.06 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1c4q s ILE 567 CO -0.04 0.47 0.03 -0.36 0.00 0.00 0.00 174.94 175.04 1c4q s PHE 568 N 0.36 3.05 0.00 3.97 0.40 -1.26 -1.15 117.98 123.35 1c4q s PHE 568 Ca 0.00 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 1c4q s PHE 568 Cb -0.13 -2.19 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1c4q s PHE 568 CO 0.01 -0.47 0.36 0.54 0.70 0.00 0.00 175.22 176.37