#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1i s PRO 502 N 0.00 3.53 0.27 -2.82 0.04 -1.26 -4.78 135.00 129.98 1d1i s PRO 502 Ca 0.00 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 1d1i s PRO 502 Cb 0.00 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1d1i s PRO 502 CO 0.00 -0.70 1.58 -0.51 0.04 0.00 0.00 177.00 177.41 1d1i s ASP 503 N -1.74 6.43 -0.12 6.66 1.11 -1.26 -1.88 116.67 125.87 1d1i s ASP 503 Ca 0.70 2.88 -0.09 0.00 0.18 0.00 0.00 52.55 56.22 1d1i s ASP 503 Cb -0.23 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 41.07 1d1i s ASP 503 CO 0.27 -0.88 -0.20 0.00 1.18 0.00 0.00 175.17 175.54 1d1i s VAL 505 N -2.37 0.09 -0.02 0.00 -7.23 -1.17 -5.01 120.40 104.69 1d1i s VAL 505 Ca -0.20 -0.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1d1i s VAL 505 Cb 0.06 -0.63 -0.00 0.00 0.56 0.00 0.00 36.38 36.38 1d1i s VAL 505 CO 0.27 -0.43 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.65 1d1i s THR 506 N -1.83 0.78 -4.05 5.32 2.01 -1.26 -1.15 115.64 115.46 1d1i s THR 506 Ca -0.11 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1d1i s THR 506 Cb -0.05 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1d1i s THR 506 CO -0.00 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1d1i n GLY 507 N 3.15 -2.19 3.84 4.40 0.00 -0.52 -4.63 105.19 109.26 1d1i n GLY 507 Ca -0.17 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 1d1i n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d1i s LYS 508 N -1.87 3.96 -0.20 1.61 1.02 -1.26 -1.04 119.74 121.96 1d1i s LYS 508 Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 55.97 56.59 1d1i s LYS 508 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1d1i s LYS 508 CO 0.00 -0.18 1.01 0.08 -0.92 0.00 0.00 175.35 175.34 1d1i s VAL 509 N -2.49 4.72 -0.03 3.17 1.01 -1.26 -4.44 120.40 121.08 1d1i s VAL 509 Ca 0.58 1.99 -0.23 0.00 0.00 0.00 0.00 61.98 64.33 1d1i s VAL 509 Cb -0.10 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1d1i s VAL 509 CO 0.28 -0.12 1.07 -0.08 0.00 0.00 0.00 175.10 176.25 1d1i h GLU 510 N 7.37 0.26 -3.04 2.72 4.81 -1.42 -3.47 114.58 121.82 1d1i h GLU 510 Ca -0.23 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1d1i h GLU 510 Cb 1.09 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 1d1i h GLU 510 CO 0.94 0.97 0.19 1.52 -0.73 0.00 0.00 179.01 181.90 1d1i s TYR 511 N -3.23 -0.43 0.18 0.92 1.13 -1.25 -5.02 117.35 109.66 1d1i s TYR 511 Ca -0.15 0.15 0.05 0.00 -1.41 0.00 0.00 57.07 55.72 1d1i s TYR 511 Cb 0.02 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.40 1d1i s TYR 511 CO 0.77 -0.93 -0.10 0.95 -2.51 0.00 0.00 175.55 173.73 1d1i s THR 512 N -3.79 1.34 -0.10 -3.49 -4.23 -1.26 -1.88 115.64 102.23 1d1i s THR 512 Ca 0.04 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.39 1d1i s THR 512 Cb -0.02 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.86 1d1i s THR 512 CO -0.08 -0.62 0.23 -0.75 -0.54 0.00 0.00 174.62 172.86 1d1i s LYS 513 N -3.73 0.20 -0.00 3.99 2.20 -0.07 -4.98 119.74 117.34 1d1i s LYS 513 Ca 0.21 0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 56.12 1d1i s LYS 513 Cb 0.02 -0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 1d1i s LYS 513 CO 0.04 -0.16 0.57 -0.47 -0.36 0.00 0.00 175.35 174.98 1d1i s TYR 514 N 1.19 3.69 0.28 4.03 6.14 -1.26 -0.48 117.35 130.94 1d1i s TYR 514 Ca -0.09 1.17 0.08 0.00 0.64 0.00 0.00 57.07 58.87 1d1i s TYR 514 Cb -0.10 -2.57 -0.04 0.00 0.42 0.00 0.00 41.96 39.67 1d1i s TYR 514 CO -0.08 0.38 0.17 -0.80 0.64 0.00 0.00 175.55 175.87 1d1i s ASN 515 N -0.29 5.16 0.55 4.32 0.01 -0.58 -4.99 114.94 119.12 1d1i s ASN 515 Ca 0.30 -0.45 0.28 0.00 -0.71 0.00 0.00 52.86 52.27 1d1i s ASN 515 Cb -0.18 -1.11 1.61 0.00 0.41 0.00 0.00 41.25 41.98 1d1i s ASN 515 CO 0.17 -0.13 2.16 -0.78 -1.51 0.00 0.00 177.10 177.00 1d1i h ASP 516 N 1.53 0.00 -0.49 -1.22 1.82 -1.98 -1.01 116.42 115.07 1d1i h ASP 516 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1d1i h ASP 516 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1d1i h ASP 516 CO 0.60 0.06 0.00 -0.90 -1.61 0.00 0.00 179.24 177.40 1d1i n ASP 517 N -3.79 4.00 -0.06 2.28 5.75 -1.26 -4.92 116.55 118.55 1d1i n ASP 517 Ca -0.02 -2.44 -0.01 0.00 -0.01 0.00 0.00 54.79 52.31 1d1i n ASP 517 Cb 0.16 -0.54 -0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1d1i n ASP 517 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1d1i n ASP 518 N 0.73 -4.00 -4.42 -1.12 8.00 -0.38 -5.03 116.55 110.33 1d1i n ASP 518 Ca 0.20 0.02 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 1d1i n ASP 518 Cb 0.78 -1.57 0.15 0.00 -0.02 0.00 0.00 41.12 40.46 1d1i n ASP 518 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1d1i s THR 519 N -1.73 2.05 -0.04 -3.53 -4.23 -1.26 -4.86 115.64 102.04 1d1i s THR 519 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1d1i s THR 519 Cb 0.00 -2.92 0.03 0.00 1.34 0.00 0.00 72.50 70.94 1d1i s THR 519 CO 0.00 0.00 -0.01 0.12 -0.54 0.00 0.00 174.62 174.19 1d1i s PHE 520 N -3.65 0.50 -0.07 3.99 5.36 -0.61 -1.52 117.98 121.97 1d1i s PHE 520 Ca 0.69 -0.08 -0.05 0.00 -0.96 0.00 0.00 56.93 56.54 1d1i s PHE 520 Cb -0.06 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 42.01 1d1i s PHE 520 CO 0.50 -0.19 0.14 0.99 -1.46 0.00 0.00 175.22 175.19 1d1i s THR 521 N 1.27 5.34 0.05 0.12 2.01 0.36 -1.01 115.64 123.77 1d1i s THR 521 Ca -0.06 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1d1i s THR 521 Cb -0.13 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1d1i s THR 521 CO -0.02 0.50 -0.16 0.54 -0.69 0.00 0.00 174.62 174.80 1d1i s VAL 522 N -1.13 1.26 -0.25 3.82 0.11 0.27 -0.89 120.40 123.59 1d1i s VAL 522 Ca 0.19 -1.11 -0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1d1i s VAL 522 Cb -0.12 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1d1i s VAL 522 CO 0.09 0.01 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.10 1d1i s LYS 523 N -1.27 3.09 -0.04 1.54 2.47 -0.79 -0.97 119.74 123.78 1d1i s LYS 523 Ca 0.03 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.64 1d1i s LYS 523 Cb -0.08 -3.07 0.01 0.00 -1.46 0.00 0.00 37.83 33.22 1d1i s LYS 523 CO 0.02 -0.33 -0.09 0.08 0.16 0.00 0.00 175.35 175.19 1d1i s VAL 524 N 1.42 0.81 0.00 4.02 1.01 -0.76 -0.90 120.40 126.00 1d1i s VAL 524 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1d1i s VAL 524 Cb -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1d1i s VAL 524 CO -0.03 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1d1i n GLY 525 N 3.65 3.55 1.03 4.51 0.00 -1.26 -2.16 105.19 114.51 1d1i n GLY 525 Ca -0.22 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1d1i n GLY 525 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d1i n ASP 526 N 7.17 3.85 -4.23 1.61 5.75 -1.26 -4.97 116.55 124.47 1d1i n ASP 526 Ca 0.00 -2.49 -0.25 0.00 -0.01 0.00 0.00 54.79 52.04 1d1i n ASP 526 Cb 0.00 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.50 1d1i n ASP 526 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1d1i s LYS 527 N -1.90 1.35 -0.23 0.11 -0.14 -0.92 -4.91 119.74 113.11 1d1i s LYS 527 Ca 0.39 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 54.04 1d1i s LYS 527 Cb 0.26 -1.43 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 1d1i s LYS 527 CO 0.16 0.37 0.11 -2.00 -0.76 0.00 0.00 175.35 173.23 1d1i s GLU 528 N -1.04 3.89 0.12 1.68 2.12 -1.26 -1.83 118.70 122.37 1d1i s GLU 528 Ca 0.07 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.07 1d1i s GLU 528 Cb -0.08 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1d1i s GLU 528 CO 0.01 0.00 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.12 1d1i s LEU 529 N 1.15 2.46 0.17 2.70 2.01 -0.14 -0.43 118.68 126.60 1d1i s LEU 529 Ca 0.06 -0.90 0.07 0.00 0.01 0.00 0.00 54.13 53.36 1d1i s LEU 529 Cb -0.14 -0.36 -0.04 0.00 0.01 0.00 0.00 46.19 45.65 1d1i s LEU 529 CO 0.04 -0.28 -0.14 0.72 1.01 0.00 0.00 176.35 177.70 1d1i s PHE 530 N -2.80 1.58 0.05 0.29 -0.12 -0.53 -0.56 117.98 115.89 1d1i s PHE 530 Ca 0.11 -0.58 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1d1i s PHE 530 Cb -0.01 -0.77 -0.02 0.00 -0.63 0.00 0.00 43.02 41.59 1d1i s PHE 530 CO 0.01 0.26 -0.13 -0.08 -0.05 0.00 0.00 175.22 175.22 1d1i s THR 531 N -2.68 1.03 -2.23 -4.49 -1.32 -0.18 -1.10 115.64 104.66 1d1i s THR 531 Ca 0.17 -1.08 0.21 0.00 -1.21 0.00 0.00 61.69 59.79 1d1i s THR 531 Cb -0.02 -0.97 0.49 0.00 -1.51 0.00 0.00 72.50 70.49 1d1i s THR 531 CO 0.05 -0.10 1.45 -0.46 -2.21 0.00 0.00 174.62 173.35 1d1i n ASN 532 N 1.70 3.17 -4.51 8.08 6.94 -1.26 -1.58 115.26 127.81 1d1i n ASN 532 Ca -0.19 -1.96 -0.43 0.00 -0.02 0.00 0.00 54.58 51.98 1d1i n ASN 532 Cb 0.55 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.61 1d1i n ASN 532 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1d1i s ARG 533 N -1.38 3.29 0.41 -3.83 1.81 -1.26 -4.93 118.95 113.06 1d1i s ARG 533 Ca 0.39 -0.40 0.14 0.00 -1.72 0.00 0.00 55.73 54.14 1d1i s ARG 533 Cb 0.22 -4.04 0.99 0.00 -0.45 0.00 0.00 34.95 31.67 1d1i s ARG 533 CO 0.30 -1.35 1.93 0.00 -0.68 0.00 0.00 175.30 175.50 1d1i h ALA 534 N 9.17 2.02 0.00 2.13 0.00 -1.90 -2.14 119.26 128.54 1d1i h ALA 534 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1d1i h ALA 534 Cb 1.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1d1i h ALA 534 CO 1.03 -0.21 -0.02 -0.91 0.00 0.00 0.00 179.25 179.15 1d1i h ASN 535 N 0.47 0.00 1.06 0.00 2.35 -2.01 -1.83 115.58 115.62 1d1i h ASN 535 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1d1i h ASN 535 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1d1i h ASN 535 CO -0.12 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.86 1d1i n LEU 536 N -4.12 0.40 0.03 1.61 4.77 -0.81 -3.98 117.00 114.90 1d1i n LEU 536 Ca -0.03 0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1d1i n LEU 536 Cb 0.10 -0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1d1i n LEU 536 CO 0.31 -0.19 0.76 1.56 -1.33 0.00 0.00 177.39 178.50 1d1i h GLN 537 N 0.00 -0.04 -0.13 3.23 4.20 -1.47 -0.01 115.11 120.89 1d1i h GLN 537 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1d1i h GLN 537 Cb 0.53 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1d1i h GLN 537 CO 0.00 0.17 -0.55 0.66 -0.67 0.00 0.00 178.83 178.44 1d1i h SER 538 N -0.24 0.42 -0.43 1.46 4.64 -1.77 -1.49 113.55 116.14 1d1i h SER 538 Ca -0.00 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 1d1i h SER 538 Cb 0.22 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1d1i h SER 538 CO 0.01 0.88 0.28 -0.07 -0.87 0.00 0.00 176.83 177.06 1d1i h LEU 539 N 0.29 0.48 -0.67 5.97 3.38 -1.65 -0.75 115.31 122.35 1d1i h LEU 539 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1d1i h LEU 539 Cb 1.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1d1i h LEU 539 CO 0.09 0.35 -0.17 -0.07 0.09 0.00 0.00 178.44 178.73 1d1i h LEU 540 N 0.57 0.86 -0.89 1.67 3.38 -0.88 -1.03 115.31 118.99 1d1i h LEU 540 Ca 0.16 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1d1i h LEU 540 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1d1i h LEU 540 CO -0.04 1.02 -0.09 0.25 0.09 0.00 0.00 178.44 179.66 1d1i h LEU 541 N 0.75 0.70 -0.57 1.67 5.85 -1.08 -0.58 115.31 122.05 1d1i h LEU 541 Ca 0.11 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1d1i h LEU 541 Cb 0.69 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1d1i h LEU 541 CO 0.05 0.83 0.33 0.28 -0.34 0.00 0.00 178.44 179.58 1d1i h SER 542 N 0.66 0.69 -0.96 1.25 0.02 -0.80 0.13 113.55 114.54 1d1i h SER 542 Ca 0.12 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1d1i h SER 542 Cb 0.54 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1d1i h SER 542 CO 0.03 0.57 0.62 0.00 -1.14 0.00 0.00 176.83 176.91 1d1i h ALA 543 N 1.15 1.22 -0.23 3.77 0.00 -0.81 -0.79 119.26 123.57 1d1i h ALA 543 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1d1i h ALA 543 Cb 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1d1i h ALA 543 CO -0.03 0.63 0.11 0.37 0.00 0.00 0.00 179.25 180.32 1d1i h GLN 544 N 1.30 0.34 -0.70 0.00 4.15 -0.57 -1.01 115.11 118.62 1d1i h GLN 544 Ca 0.35 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.66 1d1i h GLN 544 Cb -0.13 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 1d1i h GLN 544 CO -0.07 0.35 0.22 0.82 -1.93 0.00 0.00 178.83 178.22 1d1i h ILE 545 N 0.24 1.26 -0.01 2.39 2.04 -0.63 -2.95 117.51 119.84 1d1i h ILE 545 Ca 0.08 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1d1i h ILE 545 Cb 0.13 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1d1i h ILE 545 CO -0.01 0.34 -0.05 0.35 0.00 0.00 0.00 178.15 178.78 1d1i n THR 546 N -4.30 0.00 -2.03 -0.27 -2.24 -0.33 -4.94 114.28 100.17 1d1i n THR 546 Ca 0.05 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1d1i n THR 546 Cb 0.22 0.52 -0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1d1i n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d1i n GLY 547 N 1.21 0.26 3.79 3.38 0.00 -0.48 -5.02 105.19 108.33 1d1i n GLY 547 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1d1i n GLY 547 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1d1i s MET 548 N -4.09 3.43 0.00 1.61 -1.94 -0.61 -4.98 119.30 112.73 1d1i s MET 548 Ca 0.00 1.37 -0.24 0.00 -1.71 0.00 0.00 55.69 55.12 1d1i s MET 548 Cb 0.00 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.75 1d1i s MET 548 CO 0.00 -0.74 0.71 0.99 -0.01 0.00 0.00 175.02 175.97 1d1i s THR 549 N -2.12 4.86 0.20 2.05 2.01 -0.78 -4.39 115.64 117.46 1d1i s THR 549 Ca 0.67 1.50 0.11 0.00 0.31 0.00 0.00 61.69 64.28 1d1i s THR 549 Cb -0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1d1i s THR 549 CO 0.29 0.34 -0.24 0.68 -0.69 0.00 0.00 174.62 175.01 1d1i s VAL 550 N 0.17 2.36 -0.11 3.82 -7.23 -0.21 -1.36 120.40 117.83 1d1i s VAL 550 Ca 0.37 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1d1i s VAL 550 Cb -0.19 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.63 1d1i s VAL 550 CO 0.20 -0.12 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.79 1d1i s THR 551 N -1.69 1.75 -0.15 5.32 2.01 -0.39 -1.43 115.64 121.05 1d1i s THR 551 Ca 0.21 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1d1i s THR 551 Cb -0.08 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1d1i s THR 551 CO 0.10 0.49 0.07 -0.63 -0.69 0.00 0.00 174.62 173.96 1d1i s ILE 552 N 0.75 4.92 -0.16 1.82 1.01 -0.30 -0.71 121.20 128.54 1d1i s ILE 552 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1d1i s ILE 552 Cb -0.16 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1d1i s ILE 552 CO 0.01 0.52 -0.06 -0.54 0.00 0.00 0.00 174.94 174.87 1d1i s LYS 553 N -0.17 3.56 -0.17 2.79 1.02 -0.62 -0.59 119.74 125.56 1d1i s LYS 553 Ca 0.08 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1d1i s LYS 553 Cb -0.12 -2.86 0.11 0.00 -0.52 0.00 0.00 37.83 34.44 1d1i s LYS 553 CO 0.01 0.18 0.90 -0.08 -0.92 0.00 0.00 175.35 175.44 1d1i s THR 554 N 0.51 0.00 -0.65 2.17 -1.32 -0.79 -3.96 115.64 111.61 1d1i s THR 554 Ca -0.05 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.69 1d1i s THR 554 Cb -0.15 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.15 1d1i s THR 554 CO 0.03 0.00 1.73 0.78 -2.21 0.00 0.00 174.62 174.95 1d1i h ASN 555 N 3.28 0.00 -2.31 8.08 -0.26 -1.87 -3.37 115.58 119.13 1d1i h ASN 555 Ca -0.24 0.00 -0.80 0.00 -0.56 0.00 0.00 56.30 54.71 1d1i h ASN 555 Cb 1.16 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 38.18 1d1i h ASN 555 CO 0.26 0.00 1.20 0.00 -1.06 0.00 0.00 177.43 177.83 1d1i n ALA 556 N -1.88 5.69 -3.04 -0.83 0.00 -1.26 -4.91 120.51 114.28 1d1i n ALA 556 Ca 0.05 -4.60 -0.44 0.00 0.00 0.00 0.00 53.44 48.44 1d1i n ALA 556 Cb 0.46 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 1d1i n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d1i s HIS 558 N 0.93 -0.31 0.19 0.00 -3.43 -1.26 -5.06 115.29 106.34 1d1i s HIS 558 Ca 0.40 0.01 -0.32 0.00 -0.80 0.00 0.00 55.06 54.35 1d1i s HIS 558 Cb -0.04 0.52 -0.12 0.00 -1.43 0.00 0.00 32.58 31.51 1d1i s HIS 558 CO -0.02 -0.94 1.76 -0.80 -2.00 0.00 0.00 174.74 172.75 1d1i s ASN 559 N -2.83 6.38 0.00 7.38 0.01 -1.26 -1.27 114.94 123.35 1d1i s ASN 559 Ca 0.06 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 1d1i s ASN 559 Cb -0.02 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1d1i s ASN 559 CO -0.06 -0.99 0.00 0.61 -1.51 0.00 0.00 177.10 175.15 1d1i n GLY 560 N 4.06 0.75 3.82 0.66 0.00 0.43 -4.97 105.19 109.94 1d1i n GLY 560 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1d1i n GLY 560 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d1i s GLY 561 N -1.73 2.29 0.45 -0.02 0.00 -0.40 -4.70 107.32 103.21 1d1i s GLY 561 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 44.72 45.03 1d1i s GLY 561 CO 0.00 0.66 0.77 -0.32 0.00 0.00 0.00 173.10 174.21 1d1i s GLY 562 N -2.47 1.62 0.11 0.20 0.00 -1.26 -1.46 107.32 104.07 1d1i s GLY 562 Ca 0.62 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 1d1i s GLY 562 CO 0.22 -0.28 0.41 -0.11 0.00 0.00 0.00 173.10 173.34 1d1i s PHE 563 N -2.62 -0.23 0.00 1.90 -0.12 -0.26 -4.51 117.98 112.15 1d1i s PHE 563 Ca 0.48 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.33 1d1i s PHE 563 Cb -0.10 0.26 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 1d1i s PHE 563 CO 0.41 -0.68 0.00 -1.13 -0.05 0.00 0.00 175.22 173.77 1d1i n SER 564 N -0.09 1.12 -4.69 1.98 3.41 -1.26 -4.32 113.62 109.77 1d1i n SER 564 Ca -0.17 -0.11 -0.35 0.00 -0.26 0.00 0.00 58.87 57.99 1d1i n SER 564 Cb 0.63 0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 64.93 1d1i n SER 564 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1d1i s GLU 565 N -0.66 3.83 -0.08 4.33 2.02 -1.25 -5.06 118.70 121.83 1d1i s GLU 565 Ca 0.00 -0.30 -0.07 0.00 0.02 0.00 0.00 54.97 54.62 1d1i s GLU 565 Cb 0.00 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 31.05 1d1i s GLU 565 CO 0.00 0.40 0.22 0.08 0.02 0.00 0.00 175.26 175.98 1d1i s VAL 566 N 0.03 -0.01 -0.14 2.63 1.01 -1.26 -1.59 120.40 121.08 1d1i s VAL 566 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1d1i s VAL 566 Cb -0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1d1i s VAL 566 CO 0.01 0.01 -0.07 -0.63 0.00 0.00 0.00 175.10 174.41 1d1i s ILE 567 N 0.26 3.59 -0.22 2.22 1.01 0.11 -4.95 121.20 123.21 1d1i s ILE 567 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1d1i s ILE 567 Cb -0.03 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1d1i s ILE 567 CO -0.01 0.52 0.05 -0.36 0.00 0.00 0.00 174.94 175.14 1d1i s PHE 568 N 0.20 3.11 0.00 3.97 0.40 -1.26 -1.26 117.98 123.13 1d1i s PHE 568 Ca -0.04 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1d1i s PHE 568 Cb -0.14 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1d1i s PHE 568 CO 0.04 -0.21 0.33 0.54 0.70 0.00 0.00 175.22 176.62