#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca3 s PRO 502 N 0.00 0.73 0.27 0.00 0.05 -1.26 -5.05 135.00 129.74 2ca3 s PRO 502 Ca 0.00 0.44 -0.07 0.00 0.05 0.00 0.00 61.00 61.42 2ca3 s PRO 502 Cb 0.00 -1.78 -0.06 0.00 0.05 0.00 0.00 34.50 32.71 2ca3 s PRO 502 CO 0.00 -2.51 0.56 -0.51 0.05 0.00 0.00 177.00 174.58 2ca3 s LEU 503 N -6.29 4.09 0.13 -3.56 1.43 -1.26 -5.11 118.68 108.12 2ca3 s LEU 503 Ca 0.65 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 2ca3 s LEU 503 Cb -0.17 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2ca3 s LEU 503 CO 0.56 -0.15 -0.01 0.42 0.23 0.00 0.00 176.35 177.40 2ca3 s THR 504 N -1.98 0.52 -0.03 5.49 -4.23 -1.26 -5.16 115.64 108.99 2ca3 s THR 504 Ca 0.45 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2ca3 s THR 504 Cb -0.11 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.83 2ca3 s THR 504 CO 0.27 -0.65 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.16 2ca3 s TYR 505 N -3.75 0.79 -0.30 3.99 5.04 -1.26 -5.13 117.35 116.73 2ca3 s TYR 505 Ca 0.18 -0.20 -0.07 0.00 -2.44 0.00 0.00 57.07 54.54 2ca3 s TYR 505 Cb 0.06 -0.61 0.01 0.00 0.35 0.00 0.00 41.96 41.77 2ca3 s TYR 505 CO -0.01 -0.12 0.10 -2.00 -1.34 0.00 0.00 175.55 172.18 2ca3 s GLU 506 N 0.43 3.15 0.26 4.97 2.56 -1.26 -5.09 118.70 123.71 2ca3 s GLU 506 Ca -0.06 -0.82 -0.25 0.00 0.00 0.00 0.00 54.97 53.84 2ca3 s GLU 506 Cb -0.10 -3.42 -0.09 0.00 2.00 0.00 0.00 34.13 32.52 2ca3 s GLU 506 CO 0.00 -0.44 0.86 -0.51 -0.56 0.00 0.00 175.26 174.61 2ca3 s LEU 507 N 1.53 4.42 0.96 2.70 1.43 -1.26 -5.06 118.68 123.41 2ca3 s LEU 507 Ca 0.03 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 2ca3 s LEU 507 Cb -0.17 -3.73 0.17 0.00 0.03 0.00 0.00 46.19 42.49 2ca3 s LEU 507 CO 0.03 0.04 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 2ca3 s PRO 508 N -1.77 0.71 0.43 1.29 0.04 -1.26 -4.96 135.00 129.48 2ca3 s PRO 508 Ca 0.45 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 2ca3 s PRO 508 Cb -0.20 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2ca3 s PRO 508 CO 0.24 -2.55 1.30 -0.51 0.04 0.00 0.00 177.00 175.53 2ca3 s ASP 509 N -3.51 6.14 0.11 6.66 1.01 -1.26 -4.99 116.67 120.82 2ca3 s ASP 509 Ca 0.65 2.65 -0.28 0.00 0.71 0.00 0.00 52.55 56.27 2ca3 s ASP 509 Cb -0.18 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.05 2ca3 s ASP 509 CO 0.57 -0.97 0.90 -0.70 0.21 0.00 0.00 175.17 175.18 2ca3 s GLU 510 N -2.39 4.65 0.00 8.23 2.12 -1.26 -4.93 118.70 125.12 2ca3 s GLU 510 Ca 0.60 1.33 0.00 0.00 0.36 0.00 0.00 54.97 57.26 2ca3 s GLU 510 Cb -0.38 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2ca3 s GLU 510 CO 0.48 0.28 0.01 0.25 -0.54 0.00 0.00 175.26 175.73 2ca3 n THR 511 N 2.62 0.00 -1.68 -1.70 -2.24 -1.26 -5.07 114.28 104.95 2ca3 n THR 511 Ca 0.00 -0.26 -0.44 0.00 -2.27 0.00 0.00 64.05 61.08 2ca3 n THR 511 Cb 0.49 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.71 2ca3 n THR 511 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ca3 n ALA 512 N -0.50 1.44 -2.50 6.98 0.00 -1.26 -5.01 120.51 119.66 2ca3 n ALA 512 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.74 2ca3 n ALA 512 Cb 0.00 -2.33 -0.11 0.00 0.00 0.00 0.00 19.45 17.02 2ca3 n ALA 512 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ca3 s GLN 513 N -0.13 0.66 0.49 0.00 -0.21 -1.26 -4.70 119.66 114.52 2ca3 s GLN 513 Ca 0.70 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.85 2ca3 s GLN 513 Cb -0.63 -0.20 -0.09 0.00 1.00 0.00 0.00 33.01 33.10 2ca3 s GLN 513 CO 0.47 0.00 0.99 -0.51 -2.12 0.00 0.00 175.29 174.12 2ca3 s LEU 514 N -2.33 3.75 -0.14 2.90 1.43 -1.26 -4.91 118.68 118.12 2ca3 s LEU 514 Ca 0.01 1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 2ca3 s LEU 514 Cb -0.02 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 2ca3 s LEU 514 CO -0.03 -0.61 1.62 -0.54 0.23 0.00 0.00 176.35 177.02 2ca3 s LYS 515 N -3.64 3.99 0.58 1.70 1.02 -1.26 -4.99 119.74 117.15 2ca3 s LYS 515 Ca 0.62 1.91 -0.20 0.00 0.02 0.00 0.00 55.97 58.32 2ca3 s LYS 515 Cb -0.11 -4.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2ca3 s LYS 515 CO 0.24 -1.06 1.29 -2.14 -0.92 0.00 0.00 175.35 172.76 2ca3 s PRO 516 N 4.32 2.95 0.08 -1.68 0.02 -1.26 -5.01 135.00 134.42 2ca3 s PRO 516 Ca 0.72 2.05 -0.19 0.00 0.02 0.00 0.00 61.00 63.60 2ca3 s PRO 516 Cb -0.29 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.22 2ca3 s PRO 516 CO 0.28 -1.28 0.44 0.00 -0.33 0.00 0.00 177.00 176.11 2ca3 s ALA 517 N -1.42 -1.08 -0.66 -1.55 0.00 -1.26 -5.05 121.76 110.74 2ca3 s ALA 517 Ca 0.76 0.26 0.24 0.00 0.00 0.00 0.00 51.96 53.22 2ca3 s ALA 517 Cb -0.36 0.50 0.91 0.00 0.00 0.00 0.00 23.12 24.17 2ca3 s ALA 517 CO 0.41 -0.55 1.73 -0.35 0.00 0.00 0.00 175.76 177.00 2ca3 n PRO 518 N 0.19 0.19 -1.98 0.00 -0.04 -1.26 -4.74 135.00 127.36 2ca3 n PRO 518 Ca -0.18 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 2ca3 n PRO 518 Cb 0.62 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.28 2ca3 n PRO 518 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2ca3 s GLN 519 N -3.18 4.25 0.50 0.54 1.11 -1.26 -4.90 119.66 116.71 2ca3 s GLN 519 Ca 0.08 2.37 0.19 0.00 0.01 0.00 0.00 55.36 58.01 2ca3 s GLN 519 Cb 0.11 -3.03 1.25 0.00 -1.01 0.00 0.00 33.01 30.33 2ca3 s GLN 519 CO 0.47 -0.35 2.04 -1.00 0.01 0.00 0.00 175.29 176.45 2ca3 h PRO 520 N 3.43 0.12 -0.27 2.91 0.13 -1.92 -2.02 132.00 134.37 2ca3 h PRO 520 Ca -0.49 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 2ca3 h PRO 520 Cb 1.23 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ca3 h PRO 520 CO 0.66 0.08 0.34 0.78 -0.23 0.00 0.00 178.00 179.63 2ca3 h GLY 521 N 0.12 0.00 0.96 1.56 0.00 -1.91 -2.67 103.07 101.14 2ca3 h GLY 521 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2ca3 h GLY 521 CO -0.02 0.00 -0.44 -2.75 0.00 0.00 0.00 176.54 173.33 2ca3 h PHE 522 N 0.00 -1.15 -0.84 5.60 3.57 -1.65 0.24 116.94 122.71 2ca3 h PHE 522 Ca 0.13 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2ca3 h PHE 522 Cb 0.80 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.89 2ca3 h PHE 522 CO 0.00 -0.70 0.55 0.93 -2.23 0.00 0.00 178.31 176.87 2ca3 h GLU 523 N -1.19 1.10 -0.57 1.11 3.07 -1.70 0.14 114.58 116.54 2ca3 h GLU 523 Ca -0.12 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 2ca3 h GLU 523 Cb 0.93 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 2ca3 h GLU 523 CO 0.17 0.73 0.13 0.00 -1.40 0.00 0.00 179.01 178.64 2ca3 h ALA 524 N 1.48 1.16 -0.30 3.43 0.00 -1.36 -1.26 119.26 122.41 2ca3 h ALA 524 Ca 0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ca3 h ALA 524 Cb -0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2ca3 h ALA 524 CO -0.07 0.57 -0.08 0.00 0.00 0.00 0.00 179.25 179.67 2ca3 h ALA 525 N 1.30 0.42 -0.89 0.00 0.00 0.40 -1.86 119.26 118.63 2ca3 h ALA 525 Ca 0.18 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2ca3 h ALA 525 Cb 0.32 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 2ca3 h ALA 525 CO 0.00 0.25 0.46 1.96 0.00 0.00 0.00 179.25 181.92 2ca3 h GLN 526 N 0.36 0.56 0.00 0.00 4.20 -0.69 0.54 115.11 120.08 2ca3 h GLN 526 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ca3 h GLN 526 Cb 0.57 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2ca3 h GLN 526 CO 0.03 0.37 -0.25 0.09 -0.67 0.00 0.00 178.83 178.40 2ca3 n ASN 527 N -4.91 0.51 0.00 1.46 3.02 -0.50 -4.34 115.26 110.49 2ca3 n ASN 527 Ca 0.20 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 2ca3 n ASN 527 Cb 0.53 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2ca3 n ASN 527 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ca3 n ASN 528 N -1.88 3.44 -0.81 6.41 4.13 -0.72 -4.87 115.26 120.96 2ca3 n ASN 528 Ca 0.05 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.40 2ca3 n ASN 528 Cb 0.39 0.56 0.12 0.00 -1.54 0.00 0.00 39.78 39.32 2ca3 n ASN 528 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ca3 n ALA 530 N 1.06 2.48 0.09 0.00 0.00 -1.26 -4.61 120.51 118.27 2ca3 n ALA 530 Ca 0.13 -0.58 -0.02 0.00 0.00 0.00 0.00 53.44 52.97 2ca3 n ALA 530 Cb 0.48 -0.32 0.23 0.00 0.00 0.00 0.00 19.45 19.84 2ca3 n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ca3 h ALA 531 N 1.84 1.13 0.00 0.00 0.00 -1.91 -3.33 119.26 116.99 2ca3 h ALA 531 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 2ca3 h ALA 531 Cb 0.40 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2ca3 h ALA 531 CO 0.00 0.58 -2.13 0.00 0.00 0.00 0.00 179.25 177.69 2ca3 s HIS 533 N -2.40 0.43 0.61 0.00 -3.43 -1.25 -5.15 115.29 104.10 2ca3 s HIS 533 Ca -0.14 -0.83 -0.18 0.00 -0.80 0.00 0.00 55.06 53.12 2ca3 s HIS 533 Cb 0.05 -0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.03 2ca3 s HIS 533 CO 0.61 -0.62 1.16 -1.54 -2.00 0.00 0.00 174.74 172.35 2ca3 s SER 534 N -2.95 5.18 0.00 7.38 1.04 -1.26 -4.22 113.70 118.87 2ca3 s SER 534 Ca 0.15 2.23 0.28 0.00 0.48 0.00 0.00 55.95 59.09 2ca3 s SER 534 Cb 0.05 -2.58 1.68 0.00 0.10 0.00 0.00 66.02 65.27 2ca3 s SER 534 CO -0.03 -1.59 2.06 1.33 0.98 0.00 0.00 173.24 175.99 2ca3 n VAL 535 N -1.87 0.00 0.32 5.02 0.24 -1.26 -2.87 118.33 117.91 2ca3 n VAL 535 Ca 0.12 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 62.63 2ca3 n VAL 535 Cb 0.51 -0.48 1.07 0.00 -1.47 0.00 0.00 33.84 33.46 2ca3 n VAL 535 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2ca3 h ASP 536 N 0.00 0.00 -0.56 -1.34 3.04 -1.91 -1.58 116.42 114.07 2ca3 h ASP 536 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2ca3 h ASP 536 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2ca3 h ASP 536 CO 0.00 0.00 0.32 1.88 -2.04 0.00 0.00 179.24 179.40 2ca3 h TYR 537 N 0.00 0.78 0.02 4.15 -1.99 -1.92 -2.28 116.97 115.73 2ca3 h TYR 537 Ca 0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2ca3 h TYR 537 Cb 0.11 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.58 2ca3 h TYR 537 CO 0.00 0.55 -0.10 0.82 -0.00 0.00 0.00 178.16 179.43 2ca3 h ILE 538 N 0.81 1.76 -0.17 -2.88 2.04 -1.58 -3.33 117.51 114.17 2ca3 h ILE 538 Ca 0.21 -2.37 0.05 0.00 1.00 0.00 0.00 64.86 63.74 2ca3 h ILE 538 Cb 0.02 3.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 2ca3 h ILE 538 CO -0.03 0.62 0.18 0.78 0.00 0.00 0.00 178.15 179.70 2ca3 h ASN 539 N -0.92 0.00 -0.02 1.72 2.35 -1.22 -2.42 115.58 115.08 2ca3 h ASN 539 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2ca3 h ASN 539 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2ca3 h ASN 539 CO 0.02 0.00 -0.39 0.35 -1.65 0.00 0.00 177.43 175.76 2ca3 n THR 540 N -3.82 0.00 -0.88 2.81 -2.24 -0.87 -4.98 114.28 104.30 2ca3 n THR 540 Ca 0.01 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 2ca3 n THR 540 Cb 0.30 1.30 0.15 0.00 -2.10 0.00 0.00 70.33 69.97 2ca3 n THR 540 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2ca3 s GLN 541 N -2.39 1.35 0.31 -0.78 -1.52 -0.91 -4.91 119.66 110.80 2ca3 s GLN 541 Ca 0.20 1.54 -0.28 0.00 -1.95 0.00 0.00 55.36 54.87 2ca3 s GLN 541 Cb 0.18 -1.76 -0.13 0.00 -0.22 0.00 0.00 33.01 31.08 2ca3 s GLN 541 CO 0.52 -2.39 1.21 -2.30 -0.25 0.00 0.00 175.29 172.08 2ca3 n PRO 542 N -3.91 1.85 -2.78 2.91 -0.02 -1.26 -4.93 135.00 126.85 2ca3 n PRO 542 Ca 0.12 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2ca3 n PRO 542 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2ca3 n PRO 542 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ca3 s PRO 543 N -1.60 4.11 -1.55 0.52 0.04 -1.26 -4.15 135.00 131.10 2ca3 s PRO 543 Ca 0.58 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 2ca3 s PRO 543 Cb -0.62 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2ca3 s PRO 543 CO 0.60 -0.05 0.45 0.41 0.04 0.00 0.00 177.00 178.45 2ca3 n GLY 544 N -0.83 -0.51 0.18 0.56 0.00 0.70 -4.88 105.19 100.41 2ca3 n GLY 544 Ca 0.06 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2ca3 n GLY 544 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ca3 h LYS 545 N -1.01 0.05 0.00 1.61 1.79 -1.77 -3.49 116.57 113.74 2ca3 h LYS 545 Ca -0.50 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2ca3 h LYS 545 Cb 1.35 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2ca3 h LYS 545 CO 0.56 0.46 0.00 0.41 -1.08 0.00 0.00 179.45 179.80 2ca3 n GLY 546 N -0.30 -1.91 0.09 3.86 0.00 -1.26 -4.58 105.19 101.08 2ca3 n GLY 546 Ca -0.02 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2ca3 n GLY 546 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ca3 h GLN 547 N 0.00 -0.12 -0.67 1.61 5.75 -1.94 -2.97 115.11 116.77 2ca3 h GLN 547 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2ca3 h GLN 547 Cb 0.00 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2ca3 h GLN 547 CO 0.00 0.21 0.44 0.00 -2.65 0.00 0.00 178.83 176.82 2ca3 h ALA 548 N 0.42 1.50 0.25 3.38 0.00 -1.98 -0.42 119.26 122.42 2ca3 h ALA 548 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ca3 h ALA 548 Cb 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ca3 h ALA 548 CO 0.02 0.45 -0.12 0.35 0.00 0.00 0.00 179.25 179.95 2ca3 h PHE 549 N 0.91 -0.31 -0.08 0.00 3.57 -1.80 -2.05 116.94 117.17 2ca3 h PHE 549 Ca 0.24 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.55 2ca3 h PHE 549 Cb -0.09 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2ca3 h PHE 549 CO 0.00 -0.15 -0.73 -1.49 -2.23 0.00 0.00 178.31 173.71 2ca3 h TRP 550 N -0.40 0.59 -0.51 0.41 4.06 -1.34 -0.74 115.95 118.01 2ca3 h TRP 550 Ca -0.03 -0.26 0.10 0.00 2.06 0.00 0.00 58.89 60.75 2ca3 h TRP 550 Cb 0.31 -0.09 -0.08 0.00 -1.00 0.00 0.00 29.16 28.29 2ca3 h TRP 550 CO -0.04 1.02 0.02 -0.44 -3.56 0.00 0.00 178.44 175.44 2ca3 h ASP 551 N 0.30 -0.19 -0.63 -3.49 3.32 -1.12 -1.34 116.42 113.27 2ca3 h ASP 551 Ca -0.03 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2ca3 h ASP 551 Cb 1.31 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 41.04 2ca3 h ASP 551 CO 0.13 -0.06 0.09 0.00 -1.72 0.00 0.00 179.24 177.67 2ca3 h ALA 552 N 1.45 0.94 -0.11 3.45 0.00 -0.89 -1.57 119.26 122.52 2ca3 h ALA 552 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ca3 h ALA 552 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ca3 h ALA 552 CO -0.42 0.66 0.06 0.93 0.00 0.00 0.00 179.25 180.48 2ca3 h GLU 553 N 1.00 0.15 -0.62 0.00 4.39 -0.79 -0.80 114.58 117.91 2ca3 h GLU 553 Ca 0.20 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 2ca3 h GLU 553 Cb 0.45 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2ca3 h GLU 553 CO 0.01 0.17 0.29 0.28 -1.16 0.00 0.00 179.01 178.60 2ca3 h VAL 554 N 0.09 1.22 -0.66 3.13 2.07 -1.19 -1.93 116.25 118.99 2ca3 h VAL 554 Ca 0.04 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2ca3 h VAL 554 Cb 0.06 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2ca3 h VAL 554 CO -0.01 0.26 0.08 1.56 0.02 0.00 0.00 177.57 179.48 2ca3 h GLN 555 N 0.85 1.11 -0.44 1.57 1.08 -1.19 -2.58 115.11 115.51 2ca3 h GLN 555 Ca 0.21 -0.31 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2ca3 h GLN 555 Cb 0.14 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2ca3 h GLN 555 CO -0.02 1.03 0.24 -0.22 -0.95 0.00 0.00 178.83 178.91 2ca3 h LYS 556 N 1.03 0.47 -0.69 1.46 3.64 -0.93 0.20 116.57 121.75 2ca3 h LYS 556 Ca 0.20 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 2ca3 h LYS 556 Cb 0.47 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 2ca3 h LYS 556 CO 0.02 0.31 0.36 0.52 -2.27 0.00 0.00 179.45 178.39 2ca3 h MET 557 N 0.49 0.61 0.03 1.90 2.86 -1.10 0.14 114.93 119.85 2ca3 h MET 557 Ca 0.19 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2ca3 h MET 557 Cb 0.06 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2ca3 h MET 557 CO -0.11 0.40 -0.02 0.82 1.06 0.00 0.00 176.91 179.07 2ca3 h ILE 558 N 0.63 1.39 0.17 -1.22 2.04 -1.15 -0.03 117.51 119.34 2ca3 h ILE 558 Ca 0.33 -1.70 -0.30 0.00 1.00 0.00 0.00 64.86 64.19 2ca3 h ILE 558 Cb 0.30 2.47 0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2ca3 h ILE 558 CO -0.24 0.41 -1.32 0.11 0.00 0.00 0.00 178.15 177.12 2ca3 h LYS 559 N -0.83 0.38 0.02 2.37 1.79 -0.60 -2.68 116.57 117.02 2ca3 h LYS 559 Ca -0.00 -0.63 -0.34 0.00 -2.18 0.00 0.00 60.65 57.49 2ca3 h LYS 559 Cb 0.71 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.54 2ca3 h LYS 559 CO 0.01 1.30 -1.89 0.28 -1.08 0.00 0.00 179.45 178.07 2ca3 n VAL 560 N -3.61 1.57 1.17 0.50 0.31 0.43 -4.47 118.33 114.23 2ca3 n VAL 560 Ca -0.11 -0.29 0.13 0.00 -0.01 0.00 0.00 64.34 64.06 2ca3 n VAL 560 Cb 1.05 -1.89 0.24 0.00 -0.91 0.00 0.00 33.84 32.33 2ca3 n VAL 560 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2ca3 n TYR 561 N -4.12 0.00 -2.73 3.52 4.01 -0.92 -4.98 117.16 111.94 2ca3 n TYR 561 Ca -0.40 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.17 2ca3 n TYR 561 Cb 0.83 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.88 2ca3 n TYR 561 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2ca3 n HIS 562 N 0.92 -1.35 -1.72 -0.72 8.25 -0.44 -4.93 115.22 115.22 2ca3 n HIS 562 Ca 0.16 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.52 2ca3 n HIS 562 Cb 0.51 -3.58 -0.03 0.00 1.12 0.00 0.00 29.99 28.02 2ca3 n HIS 562 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ca3 s ALA 563 N -2.98 3.71 -1.04 -1.41 0.00 -0.16 -4.87 121.76 115.01 2ca3 s ALA 563 Ca 0.19 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 2ca3 s ALA 563 Cb -0.08 -3.78 -0.08 0.00 0.00 0.00 0.00 23.12 19.17 2ca3 s ALA 563 CO 0.23 -1.31 2.11 -0.35 0.00 0.00 0.00 175.76 176.44 2ca3 n PRO 564 N 6.21 2.11 -4.91 0.00 -0.04 -1.26 -4.51 135.00 132.60 2ca3 n PRO 564 Ca 0.18 -2.01 -0.33 0.00 -0.04 0.00 0.00 63.50 61.30 2ca3 n PRO 564 Cb 0.39 -2.94 -0.15 0.00 -0.04 0.00 0.00 33.50 30.76 2ca3 n PRO 564 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ca3 s VAL 565 N 4.06 2.67 0.88 0.52 1.01 -1.26 -5.11 120.40 123.17 2ca3 s VAL 565 Ca 0.53 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2ca3 s VAL 565 Cb 0.14 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.54 2ca3 s VAL 565 CO 0.03 0.54 1.16 1.51 0.00 0.00 0.00 175.10 178.33 2ca3 s ASP 566 N 0.39 3.87 0.09 3.32 1.47 -1.26 -4.82 116.67 119.73 2ca3 s ASP 566 Ca -0.13 0.85 -0.19 0.00 1.18 0.00 0.00 52.55 54.26 2ca3 s ASP 566 Cb -0.17 -1.36 -0.08 0.00 -0.34 0.00 0.00 42.92 40.97 2ca3 s ASP 566 CO 0.06 -2.32 1.60 -0.08 0.68 0.00 0.00 175.17 175.12 2ca3 h GLU 567 N -1.34 0.34 -0.04 2.11 4.81 -2.00 0.37 114.58 118.84 2ca3 h GLU 567 Ca -0.48 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ca3 h GLU 567 Cb 1.33 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2ca3 h GLU 567 CO 0.62 0.43 -0.03 0.00 -0.73 0.00 0.00 179.01 179.30 2ca3 h ALA 568 N 0.90 0.01 -0.84 2.92 0.00 -2.00 -1.46 119.26 118.79 2ca3 h ALA 568 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ca3 h ALA 568 Cb 0.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ca3 h ALA 568 CO -0.00 -0.51 0.48 -0.44 0.00 0.00 0.00 179.25 178.77 2ca3 h ASP 569 N -0.04 1.02 -0.49 0.00 3.32 -1.91 -1.54 116.42 116.78 2ca3 h ASP 569 Ca 0.03 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.01 2ca3 h ASP 569 Cb 0.07 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2ca3 h ASP 569 CO -0.06 0.81 0.32 0.00 -1.72 0.00 0.00 179.24 178.58 2ca3 h ALA 570 N 1.36 0.63 -0.31 3.45 0.00 -0.58 0.03 119.26 123.84 2ca3 h ALA 570 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2ca3 h ALA 570 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ca3 h ALA 570 CO -0.05 0.05 -0.01 -0.22 0.00 0.00 0.00 179.25 179.02 2ca3 h LYS 571 N 0.64 0.56 -0.52 0.00 3.64 -0.99 -1.78 116.57 118.13 2ca3 h LYS 571 Ca 0.19 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2ca3 h LYS 571 Cb -0.05 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 2ca3 h LYS 571 CO -0.05 0.70 0.24 0.00 -2.27 0.00 0.00 179.45 178.07 2ca3 h ALA 572 N 0.84 0.66 0.10 5.00 0.00 -1.00 0.19 119.26 125.05 2ca3 h ALA 572 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ca3 h ALA 572 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ca3 h ALA 572 CO 0.02 -0.12 -0.05 0.82 0.00 0.00 0.00 179.25 179.91 2ca3 h ILE 573 N 0.46 1.08 -0.98 0.00 2.04 -0.92 -0.49 117.51 118.70 2ca3 h ILE 573 Ca 0.24 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2ca3 h ILE 573 Cb 0.19 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2ca3 h ILE 573 CO -0.19 0.17 0.64 0.00 0.00 0.00 0.00 178.15 178.77 2ca3 h ALA 574 N 0.37 1.40 -0.40 1.87 0.00 -1.21 0.23 119.26 121.53 2ca3 h ALA 574 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2ca3 h ALA 574 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ca3 h ALA 574 CO 0.02 0.48 -0.14 -0.44 0.00 0.00 0.00 179.25 179.18 2ca3 h ASP 575 N 1.19 0.80 -0.67 0.00 3.32 -0.86 -1.33 116.42 118.86 2ca3 h ASP 575 Ca 0.41 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2ca3 h ASP 575 Cb 0.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2ca3 h ASP 575 CO -0.15 1.00 0.44 0.22 -1.72 0.00 0.00 179.24 179.04 2ca3 h TYR 576 N 0.60 0.84 -0.19 4.55 3.20 -0.60 -2.33 116.97 123.03 2ca3 h TYR 576 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2ca3 h TYR 576 Cb 0.67 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2ca3 h TYR 576 CO 0.05 0.52 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.00 2ca3 h LEU 577 N 0.90 0.36 -1.28 2.82 3.38 -0.88 -1.36 115.31 119.24 2ca3 h LEU 577 Ca 0.25 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ca3 h LEU 577 Cb -0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2ca3 h LEU 577 CO -0.06 0.61 0.20 0.00 0.09 0.00 0.00 178.44 179.28 2ca3 h ALA 578 N 0.76 1.44 0.00 1.53 0.00 -1.17 0.40 119.26 122.21 2ca3 h ALA 578 Ca 0.05 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2ca3 h ALA 578 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2ca3 h ALA 578 CO 0.01 0.43 -0.80 -0.22 0.00 0.00 0.00 179.25 178.68 2ca3 h LYS 579 N 0.69 0.00 0.00 0.00 3.64 -1.36 -3.40 116.57 116.14 2ca3 h LYS 579 Ca 0.17 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.19 2ca3 h LYS 579 Cb 0.13 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 2ca3 h LYS 579 CO -0.02 0.80 -2.34 2.41 -2.27 0.00 0.00 179.45 178.03 2ca3 n THR 580 N -3.50 1.34 0.55 1.00 -1.04 -0.52 -5.10 114.28 107.01 2ca3 n THR 580 Ca -0.00 -0.74 0.07 0.00 -2.04 0.00 0.00 64.05 61.34 2ca3 n THR 580 Cb 0.79 -0.73 0.05 0.00 -1.82 0.00 0.00 70.33 68.62 2ca3 n THR 580 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21