#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 0.96 0.22 2.89 -0.02 -1.26 -4.89 135.00 132.90 1ejm n PRO 502 Ca 0.00 0.38 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1ejm n PRO 502 Cb 0.00 -2.33 0.49 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.45 0.00 0.29 2.55 3.45 -2.02 -2.44 116.42 118.70 1ejm h ASP 503 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 1ejm h ASP 503 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1ejm h ASP 503 CO 0.51 0.19 0.00 2.19 -1.57 0.00 0.00 179.24 180.57 1ejm h PHE 504 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -1.21 116.94 113.14 1ejm h PHE 504 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1ejm h PHE 504 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 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 -3.04 0.84 -4.78 0.00 4.77 -0.46 -4.43 117.00 109.91 1ejm n LEU 506 Ca 0.01 -0.17 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 1ejm n LEU 506 Cb 0.29 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1ejm n LEU 506 CO 0.26 0.15 0.58 -1.61 -1.33 0.00 0.00 177.39 175.45 1ejm s GLU 507 N -2.47 4.61 0.69 3.23 0.41 -0.98 -4.91 118.70 119.28 1ejm s GLU 507 Ca 0.27 1.27 -0.15 0.00 -0.41 0.00 0.00 54.97 55.94 1ejm s GLU 507 Cb 0.20 -3.03 0.02 0.00 -1.78 0.00 0.00 34.13 29.53 1ejm s GLU 507 CO 0.49 0.42 1.16 -1.25 -0.49 0.00 0.00 175.26 175.60 1ejm s PRO 508 N -1.63 2.48 0.32 0.39 0.04 -1.26 -4.92 135.00 130.41 1ejm s PRO 508 Ca 0.44 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1ejm s PRO 508 Cb -0.21 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1ejm s PRO 508 CO 0.26 -1.54 1.38 -0.35 0.04 0.00 0.00 177.00 176.79 1ejm n PRO 509 N -2.50 2.26 -3.84 0.56 -0.04 -1.26 -4.98 135.00 125.20 1ejm n PRO 509 Ca 0.12 0.80 -0.36 0.00 -0.04 0.00 0.00 63.50 64.02 1ejm n PRO 509 Cb 0.51 -2.44 -0.13 0.00 -0.04 0.00 0.00 33.50 31.40 1ejm n PRO 509 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ejm s TYR 510 N -0.72 3.35 0.17 0.54 6.14 -1.26 -4.97 117.35 120.59 1ejm s TYR 510 Ca 0.59 -1.93 -0.09 0.00 0.64 0.00 0.00 57.07 56.28 1ejm s TYR 510 Cb -0.56 -2.43 0.03 0.00 0.42 0.00 0.00 41.96 39.41 1ejm s TYR 510 CO 0.58 -0.83 1.57 1.15 0.64 0.00 0.00 175.55 178.65 1ejm h THR 511 N 6.38 1.27 0.00 4.34 2.02 -1.94 -3.44 112.91 121.54 1ejm h THR 511 Ca -0.19 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1ejm h THR 511 Cb 1.06 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1ejm h THR 511 CO 0.59 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.56 1ejm n GLY 512 N -0.15 -0.51 0.13 2.16 0.00 -1.26 0.10 105.19 105.65 1ejm n GLY 512 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 0.09 -7.18 1.61 0.13 -1.93 -3.44 132.00 121.28 1ejm h PRO 513 Ca 0.00 -0.08 -0.53 0.00 -0.87 0.00 0.00 66.00 64.52 1ejm h PRO 513 Cb 0.00 0.02 0.14 0.00 0.13 0.00 0.00 31.00 31.29 1ejm h PRO 513 CO 0.00 0.79 0.39 0.00 -0.23 0.00 0.00 178.00 178.95 1ejm n ARG 515 N -2.62 2.60 -2.68 0.00 1.74 -1.17 -4.37 116.66 110.16 1ejm n ARG 515 Ca 0.13 -3.49 -0.22 0.00 -0.77 0.00 0.00 57.85 53.49 1ejm n ARG 515 Cb 0.51 -2.10 0.08 0.00 -1.02 0.00 0.00 32.46 29.92 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 -3.51 3.10 -0.34 0.55 0.05 -0.68 -5.06 118.68 112.79 1ejm s LEU 516 Ca 0.53 -0.34 0.00 0.00 0.05 0.00 0.00 54.13 54.37 1ejm s LEU 516 Cb 0.44 -2.20 0.11 0.00 -2.05 0.00 0.00 46.19 42.49 1ejm s LEU 516 CO 0.02 -1.55 0.12 -0.60 -0.55 0.00 0.00 176.35 173.79 1ejm s ARG 517 N -4.94 0.92 -0.04 1.48 3.00 -1.26 -4.29 118.95 113.83 1ejm s ARG 517 Ca 0.63 -1.36 0.03 0.00 -1.00 0.00 0.00 55.73 54.03 1ejm s ARG 517 Cb -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 34.95 32.68 1ejm s ARG 517 CO 0.41 -1.02 -0.13 -1.50 0.00 0.00 0.00 175.30 173.06 1ejm s ILE 518 N 1.27 1.14 0.05 4.11 1.10 -1.10 -4.99 121.20 122.78 1ejm s ILE 518 Ca 0.12 -0.55 -0.30 0.00 -0.51 0.00 0.00 60.65 59.40 1ejm s ILE 518 Cb -0.19 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.38 1ejm s ILE 518 CO -0.18 0.34 1.02 -0.63 -2.11 0.00 0.00 174.94 173.38 1ejm s ILE 519 N 0.14 4.58 0.28 2.00 -1.09 -1.26 -1.13 121.20 124.72 1ejm s ILE 519 Ca -0.04 1.94 0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1ejm s ILE 519 Cb -0.11 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1ejm s ILE 519 CO 0.02 0.20 0.12 -0.13 -1.23 0.00 0.00 174.94 173.91 1ejm s ARG 520 N 0.68 1.50 0.12 2.79 1.81 -0.64 -4.93 118.95 120.28 1ejm s ARG 520 Ca 0.52 -1.83 0.08 0.00 -1.72 0.00 0.00 55.73 52.77 1ejm s ARG 520 Cb -0.23 -0.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.97 1ejm s ARG 520 CO 0.29 -0.35 -0.11 0.71 -0.68 0.00 0.00 175.30 175.17 1ejm s TYR 521 N -3.67 2.69 0.02 -0.53 1.51 0.11 -1.06 117.35 116.43 1ejm s TYR 521 Ca 0.36 -0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1ejm s TYR 521 Cb 0.07 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1ejm s TYR 521 CO 0.15 0.43 0.12 -0.59 -1.11 0.00 0.00 175.55 174.55 1ejm s PHE 522 N -1.28 0.12 -0.27 2.71 -0.12 0.30 0.01 117.98 119.44 1ejm s PHE 522 Ca 0.21 -0.32 -0.22 0.00 -0.05 0.00 0.00 56.93 56.56 1ejm s PHE 522 Cb -0.11 -0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 1ejm s PHE 522 CO 0.13 -0.33 0.73 -0.47 -0.05 0.00 0.00 175.22 175.24 1ejm s TYR 523 N -2.00 3.26 -0.80 3.49 6.14 -1.26 -0.72 117.35 125.46 1ejm s TYR 523 Ca -0.10 0.89 -0.18 0.00 0.64 0.00 0.00 57.07 58.32 1ejm s TYR 523 Cb -0.04 -3.01 0.13 0.00 0.42 0.00 0.00 41.96 39.46 1ejm s TYR 523 CO -0.02 -0.42 0.95 1.21 0.64 0.00 0.00 175.55 177.91 1ejm s ASN 524 N 1.48 6.49 0.41 4.32 3.04 0.12 -4.78 114.94 126.02 1ejm s ASN 524 Ca 0.30 -1.88 0.14 0.00 0.04 0.00 0.00 52.86 51.47 1ejm s ASN 524 Cb -0.15 -2.35 1.00 0.00 -1.54 0.00 0.00 41.25 38.21 1ejm s ASN 524 CO 0.09 -1.04 1.89 0.00 -3.04 0.00 0.00 177.10 175.00 1ejm h ALA 525 N 8.83 2.06 -0.09 1.71 0.00 -1.83 0.42 119.26 130.36 1ejm h ALA 525 Ca -0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ejm h ALA 525 Cb 1.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ejm h ALA 525 CO 1.05 -0.30 -0.32 0.87 0.00 0.00 0.00 179.25 180.56 1ejm h LYS 526 N 0.49 0.16 0.00 0.00 1.57 -1.95 -2.95 116.57 113.90 1ejm h LYS 526 Ca 0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1ejm h LYS 526 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1ejm h LYS 526 CO -0.16 0.47 -1.33 0.00 -0.57 0.00 0.00 179.45 177.86 1ejm n ALA 527 N -2.48 3.86 -2.25 3.86 0.00 -0.40 -4.97 120.51 118.13 1ejm n ALA 527 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.73 1ejm n ALA 527 Cb 0.40 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.16 3.04 0.00 0.00 0.13 -4.99 105.19 104.60 1ejm n GLY 528 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.68 2.29 -0.04 0.99 1.43 -1.13 -4.99 118.68 112.55 1ejm s LEU 529 Ca 0.00 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 1ejm s LEU 529 Cb 0.00 -0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.16 1ejm s LEU 529 CO 0.00 -0.30 0.61 0.00 0.23 0.00 0.00 176.35 176.89 1ejm s GLN 531 N 0.18 1.34 0.34 0.00 -0.21 0.10 -4.92 119.66 116.49 1ejm s GLN 531 Ca 0.32 -1.70 -0.03 0.00 0.02 0.00 0.00 55.36 53.97 1ejm s GLN 531 Cb -0.18 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.43 1ejm s GLN 531 CO 0.16 -0.21 0.60 0.95 -2.12 0.00 0.00 175.29 174.67 1ejm s THR 532 N -3.65 5.02 0.22 -0.19 -4.23 -1.26 -0.54 115.64 111.02 1ejm s THR 532 Ca 0.33 -0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.59 1ejm s THR 532 Cb 0.07 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1ejm s THR 532 CO 0.10 -0.50 0.55 0.72 -0.54 0.00 0.00 174.62 174.96 1ejm s PHE 533 N -2.28 -0.03 -0.25 3.99 -0.12 -0.22 -4.90 117.98 114.16 1ejm s PHE 533 Ca 0.43 -0.34 -0.20 0.00 -0.05 0.00 0.00 56.93 56.78 1ejm s PHE 533 Cb -0.10 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 1ejm s PHE 533 CO 0.35 -0.99 0.60 0.08 -0.05 0.00 0.00 175.22 175.20 1ejm s VAL 534 N -3.91 5.01 -0.14 -2.49 1.01 -1.26 -1.62 120.40 117.00 1ejm s VAL 534 Ca 0.12 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 1ejm s VAL 534 Cb -0.02 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1ejm s VAL 534 CO 0.01 0.05 0.13 -0.47 0.00 0.00 0.00 175.10 174.82 1ejm s TYR 535 N 2.42 3.54 -0.99 5.22 5.04 -0.28 -4.37 117.35 127.92 1ejm s TYR 535 Ca 0.25 0.46 0.28 0.00 -2.44 0.00 0.00 57.07 55.63 1ejm s TYR 535 Cb -0.16 -1.99 1.12 0.00 0.35 0.00 0.00 41.96 41.28 1ejm s TYR 535 CO 0.09 0.62 1.85 0.41 -1.34 0.00 0.00 175.55 177.17 1ejm n GLY 536 N 2.37 -1.47 0.00 8.97 0.00 0.12 -2.70 105.19 112.48 1ejm n GLY 536 Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.50 2.37 3.23 -0.02 0.00 -1.26 -1.69 105.19 109.31 1ejm n GLY 537 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.10 -5.92 -1.78 0.00 1.74 -1.26 -4.51 116.66 104.83 1ejm n ARG 539 Ca -0.14 0.74 -0.37 0.00 -0.77 0.00 0.00 57.85 57.31 1ejm n ARG 539 Cb 0.63 -5.66 0.06 0.00 -1.02 0.00 0.00 32.46 26.46 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 -3.23 2.43 0.53 7.54 0.00 -1.26 -4.89 121.76 122.88 1ejm s ALA 540 Ca 0.51 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.75 1ejm s ALA 540 Cb -0.24 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.40 1ejm s ALA 540 CO 0.63 -1.53 0.73 0.15 0.00 0.00 0.00 175.76 175.75 1ejm s LYS 541 N -3.34 2.45 0.47 0.00 1.02 -1.26 -5.02 119.74 114.06 1ejm s LYS 541 Ca 0.81 -1.42 0.24 0.00 0.02 0.00 0.00 55.97 55.62 1ejm s LYS 541 Cb -0.37 -2.65 1.18 0.00 -0.52 0.00 0.00 37.83 35.46 1ejm s LYS 541 CO 0.39 -0.70 1.96 0.00 -0.92 0.00 0.00 175.35 176.08 1ejm h ARG 542 N 0.27 0.00 -3.32 1.68 3.08 -1.96 -3.27 114.38 110.87 1ejm h ARG 542 Ca -0.34 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.98 1ejm h ARG 542 Cb 1.28 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 1ejm h ARG 542 CO 0.43 0.19 2.70 -1.71 -1.07 0.00 0.00 179.97 180.51 1ejm n ASN 543 N -3.64 6.13 -3.40 7.04 5.15 -1.26 -4.71 115.26 120.57 1ejm n ASN 543 Ca -0.01 -2.96 -0.06 0.00 -0.60 0.00 0.00 54.58 50.94 1ejm n ASN 543 Cb 0.32 -1.51 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 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 1.50 -0.21 0.15 1.20 3.84 -1.23 -4.60 114.94 115.60 1ejm s ASN 544 Ca 0.50 0.57 0.07 0.00 0.21 0.00 0.00 52.86 54.21 1ejm s ASN 544 Cb 0.14 1.40 -0.04 0.00 -0.55 0.00 0.00 41.25 42.20 1ejm s ASN 544 CO -0.05 -0.27 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.47 1ejm s PHE 545 N 2.63 1.60 -2.33 0.43 0.40 0.10 -4.92 117.98 115.89 1ejm s PHE 545 Ca 0.10 -0.53 0.28 0.00 -0.60 0.00 0.00 56.93 56.18 1ejm s PHE 545 Cb -0.14 -0.81 1.06 0.00 0.51 0.00 0.00 43.02 43.64 1ejm s PHE 545 CO -0.16 0.24 1.75 1.63 0.70 0.00 0.00 175.22 179.39 1ejm n LYS 546 N 0.27 1.47 -3.52 0.44 5.02 -1.26 0.06 118.16 120.64 1ejm n LYS 546 Ca -0.13 -0.81 -0.16 0.00 -2.02 0.00 0.00 58.31 55.19 1ejm n LYS 546 Cb 0.58 -1.48 -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 -2.09 -0.59 0.27 4.39 1.04 -1.26 -4.91 113.70 110.55 1ejm s SER 547 Ca 0.36 0.49 -0.03 0.00 0.48 0.00 0.00 55.95 57.25 1ejm s SER 547 Cb 0.21 0.53 0.35 0.00 0.10 0.00 0.00 66.02 67.21 1ejm s SER 547 CO 0.37 -0.68 1.82 0.00 0.98 0.00 0.00 173.24 175.73 1ejm h ALA 548 N 2.85 1.18 -0.10 5.32 0.00 -1.97 -2.26 119.26 124.28 1ejm h ALA 548 Ca -0.29 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1ejm h ALA 548 Cb 1.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1ejm h ALA 548 CO 0.39 0.57 -0.07 1.49 0.00 0.00 0.00 179.25 181.63 1ejm h GLU 549 N 0.89 -0.08 -0.57 0.00 4.81 -1.99 1.00 114.58 118.65 1ejm h GLU 549 Ca 0.20 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1ejm h GLU 549 Cb 0.26 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1ejm h GLU 549 CO -0.01 -0.05 0.09 0.22 -0.73 0.00 0.00 179.01 178.53 1ejm h ASP 550 N -0.08 0.86 -0.45 1.04 -0.00 -1.93 -0.29 116.42 115.56 1ejm h ASP 550 Ca 0.06 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.03 56.89 1ejm h ASP 550 Cb 0.17 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.25 1ejm h ASP 550 CO -0.15 0.87 0.20 0.00 -0.00 0.00 0.00 179.24 180.16 1ejm h LEU 552 N 0.59 0.76 -1.45 0.00 3.38 -0.53 0.16 115.31 118.21 1ejm h LEU 552 Ca 0.15 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1ejm h LEU 552 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ejm h LEU 552 CO -0.02 1.01 -0.05 0.03 0.09 0.00 0.00 178.44 179.50 1ejm h ARG 553 N 0.51 0.29 0.14 1.13 3.08 -0.96 0.43 114.38 119.00 1ejm h ARG 553 Ca 0.07 -0.05 -0.35 0.00 0.07 0.00 0.00 59.98 59.72 1ejm h ARG 553 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ejm h ARG 553 CO 0.06 0.36 -1.86 1.15 -1.07 0.00 0.00 179.97 178.61 1ejm h THR 554 N 0.29 0.76 -0.01 2.04 2.02 -1.19 -3.42 112.91 113.39 1ejm h THR 554 Ca 0.06 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1ejm h THR 554 Cb 0.28 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1ejm h THR 554 CO 0.01 0.86 -0.20 0.00 0.37 0.00 0.00 175.52 176.57 1ejm h GLY 556 N 1.82 0.45 -3.86 0.00 0.00 -0.23 -3.46 103.07 97.79 1ejm h GLY 556 Ca 0.00 -0.39 -0.54 0.00 0.00 0.00 0.00 47.33 46.40 1ejm h GLY 556 CO 0.00 0.36 0.78 -0.32 0.00 0.00 0.00 176.54 177.35 1ejm s GLY 557 N -3.29 2.94 0.00 4.60 0.00 -1.26 -4.98 107.32 105.33 1ejm s GLY 557 Ca -0.14 1.58 0.18 0.00 0.00 0.00 0.00 44.72 46.34 1ejm s GLY 557 CO 0.75 2.26 1.46 0.00 0.00 0.00 0.00 173.10 177.57