#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ejm n PRO 502 N 0.00 2.42 0.12 -0.14 -0.02 -1.26 -4.89 135.00 131.22 1ejm n PRO 502 Ca 0.00 0.85 0.10 0.00 -2.02 0.00 0.00 63.50 62.44 1ejm n PRO 502 Cb 0.00 -2.63 0.59 0.00 -0.02 0.00 0.00 33.50 31.44 1ejm n PRO 502 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ejm h ASP 503 N 2.57 0.13 0.34 2.55 3.32 -2.02 -1.44 116.42 121.87 1ejm h ASP 503 Ca -0.51 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1ejm h ASP 503 Cb 1.26 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ejm h ASP 503 CO 0.62 0.09 0.00 2.19 -1.72 0.00 0.00 179.24 180.42 1ejm h PHE 504 N 0.15 0.00 0.00 4.55 -5.15 -1.98 -0.41 116.94 114.10 1ejm h PHE 504 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 1ejm h PHE 504 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.43 1ejm h PHE 504 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1ejm n LEU 506 N -2.42 1.16 -4.76 0.00 4.77 -0.16 -4.49 117.00 111.09 1ejm n LEU 506 Ca 0.02 -0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.23 1ejm n LEU 506 Cb 0.26 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1ejm n LEU 506 CO 0.22 0.24 0.68 -1.61 -1.33 0.00 0.00 177.39 175.59 1ejm s GLU 507 N -2.71 4.72 0.73 3.23 2.02 -0.92 -4.92 118.70 120.84 1ejm s GLU 507 Ca 0.16 1.52 -0.15 0.00 0.02 0.00 0.00 54.97 56.52 1ejm s GLU 507 Cb 0.18 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 31.33 1ejm s GLU 507 CO 0.65 0.37 1.20 -1.25 0.02 0.00 0.00 175.26 176.25 1ejm s PRO 508 N -1.49 2.16 0.30 0.39 0.04 -1.26 -4.90 135.00 130.24 1ejm s PRO 508 Ca 0.45 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 1ejm s PRO 508 Cb -0.25 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1ejm s PRO 508 CO 0.32 -1.82 1.49 -1.25 0.04 0.00 0.00 177.00 175.78 1ejm s PRO 509 N -3.91 4.19 -0.34 0.56 0.04 -1.26 -4.95 135.00 129.32 1ejm s PRO 509 Ca 0.74 2.45 -0.07 0.00 0.04 0.00 0.00 61.00 64.16 1ejm s PRO 509 Cb -0.29 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1ejm s PRO 509 CO 0.45 -0.50 0.12 -0.47 0.04 0.00 0.00 177.00 176.64 1ejm s TYR 510 N -0.35 3.26 0.17 0.56 6.14 -1.26 -4.98 117.35 120.88 1ejm s TYR 510 Ca 0.58 -1.38 -0.11 0.00 0.64 0.00 0.00 57.07 56.81 1ejm s TYR 510 Cb -0.45 -2.31 0.04 0.00 0.42 0.00 0.00 41.96 39.67 1ejm s TYR 510 CO 0.50 -0.72 1.62 1.15 0.64 0.00 0.00 175.55 178.74 1ejm h THR 511 N 6.14 1.26 0.00 4.34 2.02 -1.95 -3.43 112.91 121.30 1ejm h THR 511 Ca -0.23 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1ejm h THR 511 Cb 1.08 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1ejm h THR 511 CO 0.61 0.40 0.00 0.61 0.37 0.00 0.00 175.52 177.51 1ejm n GLY 512 N -0.40 -0.72 0.17 2.16 0.00 -1.26 0.19 105.19 105.32 1ejm n GLY 512 Ca 0.02 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.39 1ejm n GLY 512 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ejm h PRO 513 N 0.00 0.00 -7.24 1.61 0.13 -1.93 -3.43 132.00 121.14 1ejm h PRO 513 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1ejm h PRO 513 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1ejm h PRO 513 CO 0.00 0.46 0.34 0.00 -0.23 0.00 0.00 178.00 178.57 1ejm n ARG 515 N -3.06 2.44 -2.51 0.00 1.74 -1.19 -4.42 116.66 109.66 1ejm n ARG 515 Ca 0.11 -3.46 -0.24 0.00 -0.77 0.00 0.00 57.85 53.49 1ejm n ARG 515 Cb 0.52 -2.03 0.11 0.00 -1.02 0.00 0.00 32.46 30.04 1ejm n ARG 515 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1ejm s LEU 516 N -3.44 2.96 -0.36 0.55 0.05 -0.58 -5.06 118.68 112.80 1ejm s LEU 516 Ca 0.50 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.44 1ejm s LEU 516 Cb 0.43 -2.12 0.11 0.00 -2.05 0.00 0.00 46.19 42.56 1ejm s LEU 516 CO 0.01 -1.88 0.15 -0.60 -0.55 0.00 0.00 176.35 173.47 1ejm s ARG 517 N -5.19 0.93 -0.01 1.48 3.00 -1.26 -4.32 118.95 113.58 1ejm s ARG 517 Ca 0.66 -1.43 0.05 0.00 -1.00 0.00 0.00 55.73 54.01 1ejm s ARG 517 Cb -0.06 -2.13 -0.01 0.00 0.00 0.00 0.00 34.95 32.75 1ejm s ARG 517 CO 0.45 -1.05 -0.16 -1.50 0.00 0.00 0.00 175.30 173.04 1ejm s ILE 518 N 1.14 1.22 -0.09 4.11 1.10 -1.07 -4.99 121.20 122.63 1ejm s ILE 518 Ca 0.13 -0.66 -0.27 0.00 -0.51 0.00 0.00 60.65 59.34 1ejm s ILE 518 Cb -0.20 -1.02 -0.02 0.00 0.15 0.00 0.00 42.46 41.37 1ejm s ILE 518 CO -0.15 0.35 0.87 -0.63 -2.11 0.00 0.00 174.94 173.27 1ejm s ILE 519 N -0.37 4.90 0.32 2.00 -1.09 -1.26 -0.38 121.20 125.32 1ejm s ILE 519 Ca 0.06 1.78 0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1ejm s ILE 519 Cb -0.06 -4.20 -0.06 0.00 -1.58 0.00 0.00 42.46 36.56 1ejm s ILE 519 CO -0.01 0.11 0.07 -0.13 -1.23 0.00 0.00 174.94 173.75 1ejm s ARG 520 N 1.51 1.64 0.12 2.79 1.81 -0.52 -4.92 118.95 121.37 1ejm s ARG 520 Ca 0.44 -1.91 0.07 0.00 -1.72 0.00 0.00 55.73 52.61 1ejm s ARG 520 Cb -0.18 -0.80 -0.04 0.00 -0.45 0.00 0.00 34.95 33.48 1ejm s ARG 520 CO 0.19 -0.21 -0.10 0.71 -0.68 0.00 0.00 175.30 175.21 1ejm s TYR 521 N -3.34 2.72 0.04 -0.53 1.51 0.80 -0.84 117.35 117.72 1ejm s TYR 521 Ca 0.36 -0.17 -0.06 0.00 -1.01 0.00 0.00 57.07 56.19 1ejm s TYR 521 Cb 0.08 -1.41 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 1ejm s TYR 521 CO 0.15 0.44 0.12 -0.59 -1.11 0.00 0.00 175.55 174.56 1ejm s PHE 522 N -1.28 0.18 -0.22 2.71 -0.12 0.06 0.12 117.98 119.42 1ejm s PHE 522 Ca 0.22 -0.48 -0.23 0.00 -0.05 0.00 0.00 56.93 56.39 1ejm s PHE 522 Cb -0.11 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 1ejm s PHE 522 CO 0.14 -0.39 0.74 -0.47 -0.05 0.00 0.00 175.22 175.19 1ejm s TYR 523 N -2.73 3.34 -0.60 3.49 6.14 -1.26 -0.81 117.35 124.91 1ejm s TYR 523 Ca -0.04 1.04 -0.17 0.00 0.64 0.00 0.00 57.07 58.54 1ejm s TYR 523 Cb -0.00 -2.94 0.13 0.00 0.42 0.00 0.00 41.96 39.56 1ejm s TYR 523 CO -0.05 -0.30 0.63 1.21 0.64 0.00 0.00 175.55 177.68 1ejm s ASN 524 N 1.30 6.25 0.50 4.32 3.84 0.04 -4.76 114.94 126.43 1ejm s ASN 524 Ca 0.32 -1.72 0.18 0.00 0.21 0.00 0.00 52.86 51.85 1ejm s ASN 524 Cb -0.16 -2.26 1.24 0.00 -0.55 0.00 0.00 41.25 39.53 1ejm s ASN 524 CO 0.09 -0.95 2.07 0.00 -2.79 0.00 0.00 177.10 175.51 1ejm h ALA 525 N 8.92 2.14 0.00 1.71 0.00 -1.83 0.19 119.26 130.39 1ejm h ALA 525 Ca -0.25 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1ejm h ALA 525 Cb 1.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ejm h ALA 525 CO 1.04 -0.22 -0.51 0.87 0.00 0.00 0.00 179.25 180.44 1ejm h LYS 526 N 0.11 0.00 0.00 0.00 1.57 -1.95 -3.12 116.57 113.18 1ejm h LYS 526 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ejm h LYS 526 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ejm h LYS 526 CO -0.02 0.51 -1.40 0.00 -0.57 0.00 0.00 179.45 177.98 1ejm n ALA 527 N -2.44 3.94 -2.14 3.86 0.00 -0.61 -4.97 120.51 118.16 1ejm n ALA 527 Ca -0.01 -0.56 -0.16 0.00 0.00 0.00 0.00 53.44 52.70 1ejm n ALA 527 Cb 0.53 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 1ejm n ALA 527 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ejm n GLY 528 N 1.40 0.10 3.08 0.00 0.00 0.55 -4.99 105.19 105.33 1ejm n GLY 528 Ca 0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1ejm n GLY 528 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ejm s LEU 529 N -4.47 2.33 -0.11 0.99 1.43 -1.15 -4.99 118.68 112.71 1ejm s LEU 529 Ca 0.00 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 1ejm s LEU 529 Cb 0.00 -0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1ejm s LEU 529 CO 0.00 -0.30 0.55 0.00 0.23 0.00 0.00 176.35 176.83 1ejm s GLN 531 N 0.84 1.73 0.30 0.00 -0.21 0.01 -4.92 119.66 117.41 1ejm s GLN 531 Ca 0.29 -2.00 -0.01 0.00 0.02 0.00 0.00 55.36 53.66 1ejm s GLN 531 Cb -0.16 -0.76 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 1ejm s GLN 531 CO 0.12 -0.29 0.52 0.95 -2.12 0.00 0.00 175.29 174.47 1ejm s THR 532 N -3.30 5.10 0.20 -0.19 -4.23 -1.26 -0.76 115.64 111.20 1ejm s THR 532 Ca 0.32 -0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.38 1ejm s THR 532 Cb 0.07 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.12 1ejm s THR 532 CO 0.15 -0.42 0.49 0.72 -0.54 0.00 0.00 174.62 175.02 1ejm s PHE 533 N -2.17 0.03 -0.29 3.99 -0.12 -0.02 -4.90 117.98 114.50 1ejm s PHE 533 Ca 0.41 -0.39 -0.18 0.00 -0.05 0.00 0.00 56.93 56.72 1ejm s PHE 533 Cb -0.10 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1ejm s PHE 533 CO 0.33 -0.92 0.51 0.08 -0.05 0.00 0.00 175.22 175.17 1ejm s VAL 534 N -3.91 5.05 -0.06 -2.49 1.01 -1.26 -1.44 120.40 117.29 1ejm s VAL 534 Ca 0.13 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 1ejm s VAL 534 Cb -0.01 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1ejm s VAL 534 CO 0.00 -0.02 0.36 -0.47 0.00 0.00 0.00 175.10 174.97 1ejm s TYR 535 N 2.34 3.64 -0.77 5.22 5.04 0.49 -4.38 117.35 128.93 1ejm s TYR 535 Ca 0.20 0.85 0.26 0.00 -2.44 0.00 0.00 57.07 55.95 1ejm s TYR 535 Cb -0.15 -2.28 0.91 0.00 0.35 0.00 0.00 41.96 40.78 1ejm s TYR 535 CO 0.11 0.53 1.79 0.41 -1.34 0.00 0.00 175.55 177.05 1ejm n GLY 536 N 2.28 -1.61 0.00 8.97 0.00 0.13 -2.59 105.19 112.38 1ejm n GLY 536 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ejm n GLY 536 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ejm n GLY 537 N 1.19 1.93 3.30 -0.02 0.00 -1.26 -1.53 105.19 108.79 1ejm n GLY 537 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1ejm n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ejm n ARG 539 N -0.19 -6.45 -1.58 0.00 1.74 -1.26 -4.47 116.66 104.45 1ejm n ARG 539 Ca -0.15 0.71 -0.35 0.00 -0.77 0.00 0.00 57.85 57.29 1ejm n ARG 539 Cb 0.63 -5.63 0.08 0.00 -1.02 0.00 0.00 32.46 26.52 1ejm n ARG 539 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ejm s ALA 540 N -3.36 2.23 0.65 7.54 0.00 -1.26 -4.89 121.76 122.67 1ejm s ALA 540 Ca 0.49 0.98 0.05 0.00 0.00 0.00 0.00 51.96 53.48 1ejm s ALA 540 Cb -0.23 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1ejm s ALA 540 CO 0.78 -1.72 0.89 1.63 0.00 0.00 0.00 175.76 177.34 1ejm n LYS 541 N -2.38 0.28 0.14 0.00 5.02 -1.26 -5.04 118.16 114.93 1ejm n LYS 541 Ca 0.14 -2.93 0.01 0.00 -2.02 0.00 0.00 58.31 53.51 1ejm n LYS 541 Cb 0.50 -0.43 0.16 0.00 -0.02 0.00 0.00 35.03 35.24 1ejm n LYS 541 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ejm h ARG 542 N 0.00 0.00 -3.62 1.97 3.08 -1.97 -3.34 114.38 110.50 1ejm h ARG 542 Ca -0.30 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.03 1ejm h ARG 542 Cb 1.23 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.21 1ejm h ARG 542 CO 0.37 0.56 2.89 -1.71 -1.07 0.00 0.00 179.97 181.01 1ejm n ASN 543 N -3.50 5.18 -3.45 7.04 5.15 -1.26 -4.73 115.26 119.68 1ejm n ASN 543 Ca 0.00 -2.90 -0.10 0.00 -0.60 0.00 0.00 54.58 50.98 1ejm n ASN 543 Cb 0.65 -1.57 -0.09 0.00 -0.53 0.00 0.00 39.78 38.23 1ejm n ASN 543 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1ejm s ASN 544 N 2.21 0.27 0.16 1.20 3.84 -1.25 -4.57 114.94 116.79 1ejm s ASN 544 Ca 0.49 0.36 0.06 0.00 0.21 0.00 0.00 52.86 53.98 1ejm s ASN 544 Cb 0.14 1.05 -0.04 0.00 -0.55 0.00 0.00 41.25 41.84 1ejm s ASN 544 CO -0.06 -0.28 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.48 1ejm s PHE 545 N 2.52 1.47 -1.14 0.43 0.40 0.12 -4.93 117.98 116.86 1ejm s PHE 545 Ca 0.08 -0.63 0.26 0.00 -0.60 0.00 0.00 56.93 56.05 1ejm s PHE 545 Cb -0.14 -0.73 0.74 0.00 0.51 0.00 0.00 43.02 43.40 1ejm s PHE 545 CO -0.14 0.20 1.57 1.63 0.70 0.00 0.00 175.22 179.18 1ejm n LYS 546 N -0.05 0.15 -3.63 0.44 5.02 -1.26 -0.14 118.16 118.69 1ejm n LYS 546 Ca -0.11 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1ejm n LYS 546 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1ejm n LYS 546 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ejm s SER 547 N -2.90 -0.31 0.36 4.39 1.04 -1.26 -4.85 113.70 110.17 1ejm s SER 547 Ca 0.15 -0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.55 1ejm s SER 547 Cb 0.18 0.46 0.69 0.00 0.10 0.00 0.00 66.02 67.45 1ejm s SER 547 CO 0.63 -0.75 1.97 0.00 0.98 0.00 0.00 173.24 176.06 1ejm h ALA 548 N 2.71 1.52 -0.16 5.32 0.00 -1.95 -2.49 119.26 124.21 1ejm h ALA 548 Ca -0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ejm h ALA 548 Cb 1.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ejm h ALA 548 CO 0.44 0.38 0.08 1.49 0.00 0.00 0.00 179.25 181.64 1ejm h GLU 549 N 0.61 0.22 -0.56 0.00 4.81 -1.99 -1.38 114.58 116.29 1ejm h GLU 549 Ca 0.15 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1ejm h GLU 549 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1ejm h GLU 549 CO -0.02 0.27 0.03 -0.44 -0.73 0.00 0.00 179.01 178.11 1ejm h ASP 550 N 0.13 0.92 -0.22 1.04 3.32 -1.92 -1.82 116.42 117.86 1ejm h ASP 550 Ca 0.05 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1ejm h ASP 550 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ejm h ASP 550 CO -0.01 0.96 0.13 0.00 -1.72 0.00 0.00 179.24 178.61 1ejm h LEU 552 N 0.27 0.69 -1.16 0.00 3.38 -1.11 0.25 115.31 117.64 1ejm h LEU 552 Ca 0.08 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1ejm h LEU 552 Cb 0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ejm h LEU 552 CO -0.01 0.68 0.57 -0.09 0.09 0.00 0.00 178.44 179.68 1ejm h ARG 553 N 0.67 1.08 0.18 1.13 2.43 -1.15 0.45 114.38 119.17 1ejm h ARG 553 Ca 0.17 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.93 1ejm h ARG 553 Cb 0.21 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1ejm h ARG 553 CO -0.01 0.72 -1.71 1.15 -1.51 0.00 0.00 179.97 178.61 1ejm h THR 554 N 1.12 0.95 -0.00 0.20 2.02 -1.06 -3.41 112.91 112.72 1ejm h THR 554 Ca 0.34 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 65.02 1ejm h THR 554 Cb -0.03 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1ejm h THR 554 CO -0.09 0.84 -0.31 0.00 0.37 0.00 0.00 175.52 176.33 1ejm h GLY 556 N 2.17 1.00 -3.54 0.00 0.00 -0.18 -3.46 103.07 99.06 1ejm h GLY 556 Ca 0.00 -0.79 -0.52 0.00 0.00 0.00 0.00 47.33 46.01 1ejm h GLY 556 CO 0.00 0.73 0.62 -0.32 0.00 0.00 0.00 176.54 177.57 1ejm s GLY 557 N -3.55 2.94 0.00 4.60 0.00 -1.26 -5.06 107.32 105.00 1ejm s GLY 557 Ca -0.12 1.24 0.12 0.00 0.00 0.00 0.00 44.72 45.96 1ejm s GLY 557 CO 0.84 1.84 1.16 0.00 0.00 0.00 0.00 173.10 176.94