#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1k s PRO 502 N 0.00 3.70 0.29 -2.82 0.04 -1.26 -4.80 135.00 130.14 1d1k s PRO 502 Ca 0.00 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1d1k s PRO 502 Cb 0.00 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1d1k s PRO 502 CO 0.00 -0.54 1.40 -0.51 0.04 0.00 0.00 177.00 177.40 1d1k s ASP 503 N -1.84 6.65 -0.11 6.66 1.01 -1.26 -2.08 116.67 125.71 1d1k s ASP 503 Ca 0.68 2.72 -0.12 0.00 0.71 0.00 0.00 52.55 56.54 1d1k s ASP 503 Cb -0.20 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.05 1d1k s ASP 503 CO 0.24 -0.67 -0.24 0.00 0.21 0.00 0.00 175.17 174.71 1d1k s VAL 505 N -2.58 0.13 -0.01 0.00 -7.23 -1.15 -5.02 120.40 104.54 1d1k s VAL 505 Ca -0.21 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1d1k s VAL 505 Cb 0.04 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1d1k s VAL 505 CO 0.30 -0.59 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.57 1d1k s THR 506 N -2.08 0.40 -5.00 5.32 2.01 -1.26 -1.15 115.64 113.87 1d1k s THR 506 Ca -0.10 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.74 1d1k s THR 506 Cb -0.05 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1d1k s THR 506 CO -0.03 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1d1k n GLY 507 N 3.30 -1.26 3.86 4.40 0.00 -0.28 -4.62 105.19 110.59 1d1k n GLY 507 Ca -0.17 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1d1k n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1k s LYS 508 N -1.98 3.81 -0.30 1.61 1.02 -1.26 -0.68 119.74 121.96 1d1k s LYS 508 Ca 0.00 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.95 1d1k s LYS 508 Cb 0.00 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1d1k s LYS 508 CO 0.00 0.50 1.72 0.08 -0.92 0.00 0.00 175.35 176.73 1d1k s VAL 509 N -1.49 3.56 0.02 3.17 1.01 -1.26 -4.42 120.40 120.99 1d1k s VAL 509 Ca 0.37 0.59 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 1d1k s VAL 509 Cb -0.14 -3.69 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 1d1k s VAL 509 CO 0.19 -0.39 1.31 -0.08 0.00 0.00 0.00 175.10 176.13 1d1k h GLU 510 N 12.07 0.30 -2.67 2.72 4.81 -1.46 -3.47 114.58 126.88 1d1k h GLU 510 Ca -0.34 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1d1k h GLU 510 Cb 1.16 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 1d1k h GLU 510 CO 1.02 0.72 0.34 1.52 -0.73 0.00 0.00 179.01 181.88 1d1k s TYR 511 N -4.22 -0.42 0.20 0.92 -0.85 -1.25 -5.02 117.35 106.71 1d1k s TYR 511 Ca -0.14 0.23 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1d1k s TYR 511 Cb 0.04 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 1d1k s TYR 511 CO 0.74 -0.74 -0.15 0.95 -1.52 0.00 0.00 175.55 174.83 1d1k s THR 512 N -3.48 1.76 -0.11 -3.49 -4.23 -1.26 -1.52 115.64 103.31 1d1k s THR 512 Ca 0.04 -2.17 -0.06 0.00 -1.18 0.00 0.00 61.69 58.32 1d1k s THR 512 Cb -0.01 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 71.86 1d1k s THR 512 CO -0.10 -0.55 0.26 -0.75 -0.54 0.00 0.00 174.62 172.95 1d1k s LYS 513 N -3.50 0.22 -0.15 3.99 2.20 -0.01 -4.98 119.74 117.51 1d1k s LYS 513 Ca 0.21 0.56 -0.19 0.00 -0.36 0.00 0.00 55.97 56.19 1d1k s LYS 513 Cb -0.02 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1d1k s LYS 513 CO 0.07 -0.16 0.54 -0.47 -0.36 0.00 0.00 175.35 174.96 1d1k s TYR 514 N 1.28 3.45 0.23 4.03 6.14 -1.26 -0.45 117.35 130.77 1d1k s TYR 514 Ca -0.09 0.90 0.03 0.00 0.64 0.00 0.00 57.07 58.54 1d1k s TYR 514 Cb -0.10 -2.65 -0.03 0.00 0.42 0.00 0.00 41.96 39.59 1d1k s TYR 514 CO -0.09 0.02 0.37 -0.80 0.64 0.00 0.00 175.55 175.70 1d1k s ASN 515 N 0.90 6.33 0.46 4.32 0.01 -0.58 -4.99 114.94 121.39 1d1k s ASN 515 Ca 0.27 0.21 0.14 0.00 -0.71 0.00 0.00 52.86 52.77 1d1k s ASN 515 Cb -0.16 -1.92 1.10 0.00 0.41 0.00 0.00 41.25 40.68 1d1k s ASN 515 CO 0.11 -0.07 2.05 -0.78 -1.51 0.00 0.00 177.10 176.89 1d1k h ASP 516 N 1.48 0.25 -0.19 -1.22 3.58 -1.97 -1.81 116.42 116.53 1d1k h ASP 516 Ca -0.50 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1d1k h ASP 516 Cb 1.21 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1d1k h ASP 516 CO 0.64 0.17 0.00 -1.84 -2.88 0.00 0.00 179.24 175.33 1d1k n GLU 517 N -4.48 2.26 -1.43 0.28 0.00 -1.26 -4.87 120.64 111.15 1d1k n GLU 517 Ca 0.05 -1.03 -0.15 0.00 0.00 0.00 0.00 57.16 56.03 1d1k n GLU 517 Cb 0.25 -1.74 -0.06 0.00 0.00 0.00 0.00 31.44 29.89 1d1k n GLU 517 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1d1k n ASP 518 N 0.20 -4.88 -4.99 -1.84 8.00 -0.68 -5.02 116.55 107.34 1d1k n ASP 518 Ca 0.09 0.37 -0.19 0.00 0.71 0.00 0.00 54.79 55.77 1d1k n ASP 518 Cb 0.57 -3.68 0.02 0.00 -0.02 0.00 0.00 41.12 38.01 1d1k n ASP 518 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1d1k s THR 519 N -2.51 2.82 -0.09 -3.53 -4.23 -1.25 -4.89 115.64 101.95 1d1k s THR 519 Ca 0.00 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1d1k s THR 519 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.87 1d1k s THR 519 CO 0.00 0.00 -0.11 0.12 -0.54 0.00 0.00 174.62 174.09 1d1k s PHE 520 N -2.56 1.53 -0.12 3.99 5.36 -0.38 -1.53 117.98 124.26 1d1k s PHE 520 Ca 0.56 -0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 55.83 1d1k s PHE 520 Cb -0.10 -1.17 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 1d1k s PHE 520 CO 0.36 -0.38 0.07 0.99 -1.46 0.00 0.00 175.22 174.80 1d1k s THR 521 N 1.06 4.93 0.00 0.12 2.01 0.40 -0.77 115.64 123.39 1d1k s THR 521 Ca -0.07 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1d1k s THR 521 Cb -0.15 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1d1k s THR 521 CO -0.01 0.59 -0.15 0.68 -0.69 0.00 0.00 174.62 175.03 1d1k s VAL 522 N -0.74 1.22 -0.32 3.82 -7.23 0.14 -0.83 120.40 116.45 1d1k s VAL 522 Ca 0.12 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1d1k s VAL 522 Cb -0.12 -1.04 0.04 0.00 0.56 0.00 0.00 36.38 35.82 1d1k s VAL 522 CO 0.03 0.26 0.07 -0.75 -0.31 0.00 0.00 175.10 174.40 1d1k s LYS 523 N -0.58 2.63 -0.08 4.82 2.47 -0.57 -0.54 119.74 127.88 1d1k s LYS 523 Ca 0.05 -1.16 0.01 0.00 -1.56 0.00 0.00 55.97 53.31 1d1k s LYS 523 Cb -0.06 -3.38 0.02 0.00 -1.46 0.00 0.00 37.83 32.95 1d1k s LYS 523 CO -0.00 -0.62 -0.08 0.08 0.16 0.00 0.00 175.35 174.88 1d1k s VAL 524 N 1.38 0.94 0.00 4.02 1.01 -0.70 -0.98 120.40 126.07 1d1k s VAL 524 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1d1k s VAL 524 Cb -0.19 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1d1k s VAL 524 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1d1k n GLY 525 N 4.43 2.66 0.84 4.51 0.00 -1.26 -2.49 105.19 113.87 1d1k n GLY 525 Ca -0.18 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1d1k n GLY 525 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d1k n ASP 526 N 7.57 2.89 -4.55 1.61 5.75 -1.26 -4.99 116.55 123.57 1d1k n ASP 526 Ca 0.00 -1.85 -0.30 0.00 -0.01 0.00 0.00 54.79 52.63 1d1k n ASP 526 Cb 0.00 -0.15 -0.11 0.00 -1.03 0.00 0.00 41.12 39.84 1d1k n ASP 526 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1d1k s LYS 527 N -1.30 2.20 -0.23 0.11 -0.14 -1.04 -4.94 119.74 114.40 1d1k s LYS 527 Ca 0.27 -0.96 -0.02 0.00 -1.36 0.00 0.00 55.97 53.91 1d1k s LYS 527 Cb 0.17 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1d1k s LYS 527 CO 0.24 0.53 -0.06 -2.00 -0.76 0.00 0.00 175.35 173.29 1d1k s GLU 528 N -1.88 3.04 0.13 1.68 2.12 -1.26 -1.72 118.70 120.81 1d1k s GLU 528 Ca 0.19 -0.84 0.08 0.00 0.36 0.00 0.00 54.97 54.76 1d1k s GLU 528 Cb -0.11 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1d1k s GLU 528 CO 0.11 -0.31 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.82 1d1k s LEU 529 N 1.38 2.38 0.22 2.70 1.43 0.30 -0.37 118.68 126.71 1d1k s LEU 529 Ca 0.03 -0.78 0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1d1k s LEU 529 Cb -0.15 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.24 1d1k s LEU 529 CO -0.05 -0.03 -0.21 0.72 0.23 0.00 0.00 176.35 177.02 1d1k s PHE 530 N -1.74 2.13 0.01 0.29 -0.12 -0.05 0.24 117.98 118.74 1d1k s PHE 530 Ca 0.11 -0.39 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1d1k s PHE 530 Cb -0.07 -1.01 -0.01 0.00 -0.63 0.00 0.00 43.02 41.30 1d1k s PHE 530 CO 0.05 0.52 -0.07 -0.08 -0.05 0.00 0.00 175.22 175.59 1d1k s THR 531 N -2.15 0.50 -2.26 -4.49 -1.32 0.05 -0.77 115.64 105.20 1d1k s THR 531 Ca 0.23 -0.48 0.22 0.00 -1.21 0.00 0.00 61.69 60.45 1d1k s THR 531 Cb -0.06 -0.46 0.50 0.00 -1.51 0.00 0.00 72.50 70.97 1d1k s THR 531 CO 0.10 -0.00 1.46 -0.46 -2.21 0.00 0.00 174.62 173.51 1d1k n ASN 532 N 2.53 3.39 -4.51 8.08 0.23 -1.26 -1.25 115.26 122.47 1d1k n ASN 532 Ca -0.16 -1.98 -0.43 0.00 -0.53 0.00 0.00 54.58 51.49 1d1k n ASN 532 Cb 0.57 -0.32 -0.04 0.00 -2.08 0.00 0.00 39.78 37.90 1d1k n ASN 532 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1d1k s ARG 533 N -1.35 3.30 0.34 -3.83 1.81 -1.26 -4.93 118.95 113.03 1d1k s ARG 533 Ca 0.41 -0.36 0.06 0.00 -1.72 0.00 0.00 55.73 54.12 1d1k s ARG 533 Cb 0.23 -4.06 0.72 0.00 -0.45 0.00 0.00 34.95 31.39 1d1k s ARG 533 CO 0.31 -1.46 1.90 0.00 -0.68 0.00 0.00 175.30 175.37 1d1k h ALA 534 N 9.27 1.71 0.00 2.13 0.00 -1.90 -2.26 119.26 128.22 1d1k h ALA 534 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d1k h ALA 534 Cb 1.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1d1k h ALA 534 CO 1.07 0.09 -0.02 -0.91 0.00 0.00 0.00 179.25 179.48 1d1k h ASN 535 N 0.80 0.00 1.48 0.00 2.35 -2.01 -2.53 115.58 115.67 1d1k h ASN 535 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1d1k h ASN 535 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1d1k h ASN 535 CO -0.17 0.02 0.00 -0.07 -1.65 0.00 0.00 177.43 175.56 1d1k h LEU 536 N 0.00 0.00 0.28 1.61 3.38 -1.83 -3.36 115.31 115.39 1d1k h LEU 536 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d1k h LEU 536 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1d1k h LEU 536 CO 0.00 0.00 -0.27 1.56 0.09 0.00 0.00 178.44 179.83 1d1k h GLN 537 N 0.00 -0.56 -0.26 1.13 4.20 -1.58 0.13 115.11 118.17 1d1k h GLN 537 Ca 0.00 0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1d1k h GLN 537 Cb 0.74 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1d1k h GLN 537 CO 0.00 -0.37 -0.31 0.66 -0.67 0.00 0.00 178.83 178.14 1d1k h SER 538 N -0.58 0.56 -0.30 1.46 4.64 -1.78 -2.21 113.55 115.34 1d1k h SER 538 Ca -0.01 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1d1k h SER 538 Cb 0.53 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1d1k h SER 538 CO -0.05 0.84 0.13 -0.07 -0.87 0.00 0.00 176.83 176.82 1d1k h LEU 539 N 0.47 0.40 -0.57 5.97 3.38 -1.67 -1.23 115.31 122.05 1d1k h LEU 539 Ca 0.06 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1d1k h LEU 539 Cb 0.77 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1d1k h LEU 539 CO 0.06 0.43 0.01 -0.07 0.09 0.00 0.00 178.44 178.96 1d1k h LEU 540 N 0.34 0.99 -0.84 1.67 3.38 -0.87 -1.65 115.31 118.33 1d1k h LEU 540 Ca 0.10 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1d1k h LEU 540 Cb 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1d1k h LEU 540 CO -0.01 1.05 0.06 0.25 0.09 0.00 0.00 178.44 179.88 1d1k h LEU 541 N 0.90 0.89 -0.83 1.67 5.85 -1.30 -0.69 115.31 121.80 1d1k h LEU 541 Ca 0.16 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1d1k h LEU 541 Cb 0.53 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1d1k h LEU 541 CO 0.03 0.92 0.34 0.28 -0.34 0.00 0.00 178.44 179.66 1d1k h SER 542 N 0.88 1.10 -0.42 1.25 0.02 -0.93 -0.17 113.55 115.27 1d1k h SER 542 Ca 0.17 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1d1k h SER 542 Cb 0.43 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1d1k h SER 542 CO 0.01 0.96 -0.11 0.00 -1.14 0.00 0.00 176.83 176.56 1d1k h ALA 543 N 1.20 0.91 -0.01 3.77 0.00 -0.94 -1.77 119.26 122.41 1d1k h ALA 543 Ca 0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d1k h ALA 543 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1d1k h ALA 543 CO -0.03 0.63 0.00 0.37 0.00 0.00 0.00 179.25 180.23 1d1k h GLN 544 N 0.79 0.02 -0.71 0.00 4.15 -0.56 -0.36 115.11 118.43 1d1k h GLN 544 Ca 0.13 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1d1k h GLN 544 Cb 0.62 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1d1k h GLN 544 CO 0.04 0.23 0.41 0.82 -1.93 0.00 0.00 178.83 178.40 1d1k h ILE 545 N -0.20 1.21 -0.01 2.39 2.04 -0.95 -2.80 117.51 119.19 1d1k h ILE 545 Ca 0.00 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1d1k h ILE 545 Cb 0.22 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1d1k h ILE 545 CO -0.00 0.22 -0.01 0.35 0.00 0.00 0.00 178.15 178.71 1d1k n THR 546 N -4.52 0.00 -2.55 -0.27 -2.24 -0.68 -4.95 114.28 99.08 1d1k n THR 546 Ca 0.06 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1d1k n THR 546 Cb 0.07 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 1d1k n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d1k n GLY 547 N 1.13 -0.11 3.78 3.38 0.00 -0.68 -5.01 105.19 107.69 1d1k n GLY 547 Ca 0.20 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1d1k n GLY 547 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d1k s MET 548 N -5.03 3.08 -0.14 1.61 -1.94 -0.23 -5.00 119.30 111.64 1d1k s MET 548 Ca 0.12 1.34 -0.21 0.00 -1.71 0.00 0.00 55.69 55.22 1d1k s MET 548 Cb -0.05 -1.99 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 1d1k s MET 548 CO 0.15 -1.02 0.62 0.99 -0.01 0.00 0.00 175.02 175.75 1d1k s THR 549 N -2.33 5.06 0.01 2.05 2.01 -0.21 -4.42 115.64 117.82 1d1k s THR 549 Ca 0.66 1.22 0.05 0.00 0.31 0.00 0.00 61.69 63.93 1d1k s THR 549 Cb -0.19 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1d1k s THR 549 CO 0.38 0.19 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.68 1d1k s VAL 550 N 1.34 3.13 -0.12 3.82 1.01 0.14 -0.91 120.40 128.81 1d1k s VAL 550 Ca 0.31 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1d1k s VAL 550 Cb -0.16 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1d1k s VAL 550 CO 0.12 0.40 -0.11 -0.89 0.00 0.00 0.00 175.10 174.62 1d1k s THR 551 N -0.92 1.27 -0.20 3.92 2.01 -0.45 -1.12 115.64 120.16 1d1k s THR 551 Ca 0.15 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1d1k s THR 551 Cb -0.11 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1d1k s THR 551 CO 0.05 0.41 0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 1d1k s ILE 552 N 1.49 4.44 -0.20 1.82 1.01 -0.30 -0.09 121.20 129.36 1d1k s ILE 552 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 1d1k s ILE 552 Cb -0.13 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1d1k s ILE 552 CO -0.08 0.43 0.04 -0.54 0.00 0.00 0.00 174.94 174.80 1d1k s LYS 553 N 0.74 3.81 -0.14 2.79 1.02 -0.66 -0.51 119.74 126.79 1d1k s LYS 553 Ca 0.02 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 1d1k s LYS 553 Cb -0.14 -3.18 0.11 0.00 -0.52 0.00 0.00 37.83 34.11 1d1k s LYS 553 CO 0.02 0.13 0.91 -0.08 -0.92 0.00 0.00 175.35 175.41 1d1k s THR 554 N 0.74 0.00 -0.38 2.17 -1.32 -0.88 -4.01 115.64 111.96 1d1k s THR 554 Ca 0.02 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.73 1d1k s THR 554 Cb -0.14 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.10 1d1k s THR 554 CO 0.02 0.00 1.46 0.78 -2.21 0.00 0.00 174.62 174.67 1d1k h ASN 555 N 2.86 0.00 -1.49 8.08 -0.26 -1.86 -3.34 115.58 119.56 1d1k h ASN 555 Ca -0.21 0.00 -0.72 0.00 -0.56 0.00 0.00 56.30 54.81 1d1k h ASN 555 Cb 1.16 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.24 1d1k h ASN 555 CO 0.31 0.01 1.60 0.00 -1.06 0.00 0.00 177.43 178.29 1d1k n ALA 556 N -2.12 6.54 -2.61 -0.83 0.00 -1.26 -4.91 120.51 115.32 1d1k n ALA 556 Ca 0.03 -4.04 -0.43 0.00 0.00 0.00 0.00 53.44 49.00 1d1k n ALA 556 Cb 0.54 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 1d1k n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d1k s HIS 558 N 4.18 -0.35 0.18 0.00 -3.43 -1.26 -5.06 115.29 109.54 1d1k s HIS 558 Ca 0.51 0.19 -0.33 0.00 -0.80 0.00 0.00 55.06 54.64 1d1k s HIS 558 Cb 0.03 0.55 -0.13 0.00 -1.43 0.00 0.00 32.58 31.60 1d1k s HIS 558 CO 0.04 -0.62 1.66 0.09 -2.00 0.00 0.00 174.74 173.91 1d1k n ASN 559 N -0.28 3.56 0.00 7.38 3.02 -1.26 -0.67 115.26 127.01 1d1k n ASN 559 Ca -0.10 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1d1k n ASN 559 Cb 0.62 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1d1k n ASN 559 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d1k n GLY 560 N 3.71 0.77 3.78 7.41 0.00 0.50 -4.98 105.19 116.38 1d1k n GLY 560 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1d1k n GLY 560 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1k s GLY 561 N -1.58 2.64 0.26 -0.02 0.00 0.16 -4.70 107.32 104.09 1d1k s GLY 561 Ca 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 44.72 45.51 1d1k s GLY 561 CO 0.00 1.17 0.48 -0.32 0.00 0.00 0.00 173.10 174.43 1d1k s GLY 562 N -1.74 1.68 0.18 0.20 0.00 -1.26 -0.87 107.32 105.51 1d1k s GLY 562 Ca 0.70 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 1d1k s GLY 562 CO 0.27 -0.71 0.44 -0.11 0.00 0.00 0.00 173.10 172.98 1d1k s PHE 563 N -2.05 0.03 0.00 1.90 -0.12 0.05 -4.55 117.98 113.25 1d1k s PHE 563 Ca 0.40 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1d1k s PHE 563 Cb -0.10 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 1d1k s PHE 563 CO 0.31 -0.83 0.00 -1.13 -0.05 0.00 0.00 175.22 173.51 1d1k n SER 564 N -0.29 0.00 -4.65 1.98 3.41 -1.26 -4.33 113.62 108.48 1d1k n SER 564 Ca -0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.14 1d1k n SER 564 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1d1k n SER 564 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1d1k s GLU 565 N -0.18 4.10 -0.01 4.33 2.02 -1.26 -5.07 118.70 122.64 1d1k s GLU 565 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1d1k s GLU 565 Cb 0.00 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.68 1d1k s GLU 565 CO 0.00 -0.02 -0.00 0.08 0.02 0.00 0.00 175.26 175.33 1d1k s VAL 566 N 1.29 0.07 -0.17 2.63 1.01 -1.26 -1.65 120.40 122.33 1d1k s VAL 566 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1d1k s VAL 566 Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1d1k s VAL 566 CO 0.07 0.05 -0.03 -0.63 0.00 0.00 0.00 175.10 174.56 1d1k s ILE 567 N 0.30 3.86 -0.23 2.22 1.01 0.87 -4.96 121.20 124.28 1d1k s ILE 567 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 1d1k s ILE 567 Cb -0.04 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1d1k s ILE 567 CO -0.01 0.48 0.06 -0.36 0.00 0.00 0.00 174.94 175.11 1d1k s PHE 568 N 0.52 3.09 0.00 3.97 0.08 -1.26 -1.33 117.98 123.04 1d1k s PHE 568 Ca -0.03 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1d1k s PHE 568 Cb -0.14 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1d1k s PHE 568 CO 0.03 -0.29 0.41 0.54 -0.10 0.00 0.00 175.22 175.80