#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jbg s LYS 449 N 0.00 3.62 0.96 1.20 3.01 -1.26 -4.38 119.74 122.88 2jbg s LYS 449 Ca 0.00 1.90 -0.12 0.00 -1.01 0.00 0.00 55.97 56.73 2jbg s LYS 449 Cb 0.00 -2.39 0.17 0.00 -1.01 0.00 0.00 37.83 34.60 2jbg s LYS 449 CO 0.00 -0.70 1.12 -1.25 0.51 0.00 0.00 175.35 175.03 2jbg s PRO 450 N -2.73 0.75 0.00 -1.68 0.04 -1.22 -4.51 135.00 125.66 2jbg s PRO 450 Ca 0.65 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2jbg s PRO 450 Cb -0.32 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2jbg s PRO 450 CO 0.38 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.35 2jbg n GLY 451 N -1.67 -0.41 3.55 0.56 0.00 -0.98 -4.99 105.19 101.25 2jbg n GLY 451 Ca 0.06 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2jbg n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 452 N -2.00 3.56 0.34 1.61 1.02 -1.26 -1.62 119.74 121.39 2jbg s LYS 452 Ca 0.00 -0.48 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 2jbg s LYS 452 Cb 0.00 -2.92 -0.10 0.00 -0.52 0.00 0.00 37.83 34.29 2jbg s LYS 452 CO 0.00 0.34 1.25 0.00 -0.92 0.00 0.00 175.35 176.02 2jbg s ALA 453 N 0.10 3.41 0.20 5.17 0.00 -0.56 -4.78 121.76 125.31 2jbg s ALA 453 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2jbg s ALA 453 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2jbg s ALA 453 CO 0.02 -0.55 0.08 0.95 0.00 0.00 0.00 175.76 176.27 2jbg s THR 454 N -1.19 0.33 0.00 0.00 -4.23 -0.46 -0.73 115.64 109.36 2jbg s THR 454 Ca 0.50 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2jbg s THR 454 Cb -0.37 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2jbg s THR 454 CO 0.48 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2jbg n GLY 455 N -0.30 2.76 0.05 3.99 0.00 -1.26 0.59 105.19 111.03 2jbg n GLY 455 Ca -0.02 -2.00 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 2jbg n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbg n LYS 456 N -0.21 2.19 0.00 1.61 5.02 -1.26 -4.80 118.16 120.71 2jbg n LYS 456 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jbg n LYS 456 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2jbg n LYS 456 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jbg n GLY 457 N 2.32 -2.07 3.12 0.72 0.00 -1.26 -4.11 105.19 103.91 2jbg n GLY 457 Ca -0.17 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 2jbg n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 458 N -0.04 0.69 0.42 1.61 1.02 -0.18 -4.65 119.74 118.60 2jbg s LYS 458 Ca 0.00 -0.95 -0.24 0.00 0.02 0.00 0.00 55.97 54.80 2jbg s LYS 458 Cb 0.00 -0.43 -0.08 0.00 -0.52 0.00 0.00 37.83 36.79 2jbg s LYS 458 CO 0.00 0.07 1.14 -1.25 -0.92 0.00 0.00 175.35 174.39 2jbg s PRO 459 N -2.13 3.98 0.16 -1.68 0.04 -1.26 -1.38 135.00 132.73 2jbg s PRO 459 Ca -0.03 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2jbg s PRO 459 Cb -0.07 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2jbg s PRO 459 CO 0.00 -0.35 -0.13 0.14 0.04 0.00 0.00 177.00 176.70 2jbg s VAL 460 N -1.51 1.38 0.00 -0.36 -7.23 -1.26 -4.95 120.40 106.47 2jbg s VAL 460 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2jbg s VAL 460 Cb -0.28 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2jbg s VAL 460 CO 0.35 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 174.07 2jbg n ASN 461 N -0.02 0.00 -0.58 4.85 0.23 -1.26 -4.97 115.26 113.51 2jbg n ASN 461 Ca -0.11 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.97 2jbg n ASN 461 Cb 0.59 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.40 2jbg n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2jbg n ASN 462 N 0.00 1.59 -2.50 0.53 2.04 -1.26 -3.52 115.26 112.14 2jbg n ASN 462 Ca 0.00 -2.10 -0.07 0.00 -0.44 0.00 0.00 54.58 51.97 2jbg n ASN 462 Cb 0.00 -0.29 0.04 0.00 -2.53 0.00 0.00 39.78 37.00 2jbg n ASN 462 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2jbg n LYS 463 N 0.15 2.27 -0.36 -3.83 4.76 -1.26 -4.92 118.16 114.96 2jbg n LYS 463 Ca 0.08 -3.66 0.03 0.00 -2.87 0.00 0.00 58.31 51.88 2jbg n LYS 463 Cb 0.30 -1.77 0.09 0.00 -1.84 0.00 0.00 35.03 31.82 2jbg n LYS 463 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2jbg n TRP 464 N -0.61 0.20 0.06 2.13 -0.00 -1.23 -1.13 117.44 116.86 2jbg n TRP 464 Ca 0.19 1.18 0.09 0.00 -0.00 0.00 0.00 57.50 58.96 2jbg n TRP 464 Cb 0.86 -0.97 0.27 0.00 -0.00 0.00 0.00 31.31 31.47 2jbg n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2jbg n LEU 465 N -5.51 3.30 0.11 5.87 4.77 -1.26 -4.44 117.00 119.85 2jbg n LEU 465 Ca 0.13 -1.65 0.18 0.00 -0.03 0.00 0.00 56.01 54.63 2jbg n LEU 465 Cb 0.44 -0.42 0.74 0.00 -2.33 0.00 0.00 43.42 41.85 2jbg n LEU 465 CO -0.12 0.78 1.16 0.78 -1.33 0.00 0.00 177.39 178.65 2jbg h ASN 466 N 3.45 0.00 -0.35 -1.43 4.21 -1.54 -1.13 115.58 118.80 2jbg h ASN 466 Ca 0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 2jbg h ASN 466 Cb 0.86 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.96 2jbg h ASN 466 CO 0.03 0.00 -0.07 0.59 -1.29 0.00 0.00 177.43 176.69 2jbg n ASN 467 N -4.11 2.60 0.22 5.81 5.03 -1.26 -4.55 115.26 119.00 2jbg n ASN 467 Ca 0.05 -3.70 0.15 0.00 0.87 0.00 0.00 54.58 51.95 2jbg n ASN 467 Cb 0.46 -0.63 0.53 0.00 -1.02 0.00 0.00 39.78 39.13 2jbg n ASN 467 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jbg h ALA 468 N 1.06 1.00 -0.58 5.41 0.00 -1.45 -2.88 119.26 121.82 2jbg h ALA 468 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jbg h ALA 468 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2jbg h ALA 468 CO 0.38 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2jbg n GLY 469 N 0.31 2.66 2.99 0.00 0.00 -1.26 -1.96 105.19 107.93 2jbg n GLY 469 Ca 0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2jbg n GLY 469 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jbg s LYS 470 N -2.14 0.35 4.95 1.61 2.20 -1.09 -4.74 119.74 120.88 2jbg s LYS 470 Ca 0.49 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2jbg s LYS 470 Cb 0.34 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2jbg s LYS 470 CO 0.20 -0.01 0.00 -0.25 -0.36 0.00 0.00 175.35 174.92 2jbg n ASP 471 N 1.72 0.00 -1.17 1.43 10.43 -1.26 -0.98 116.55 126.72 2jbg n ASP 471 Ca -0.22 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.24 2jbg n ASP 471 Cb 0.55 0.00 0.26 0.00 1.84 0.00 0.00 41.12 43.77 2jbg n ASP 471 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2jbg n LEU 472 N 0.00 3.61 0.00 0.64 4.77 -1.26 -4.93 117.00 119.83 2jbg n LEU 472 Ca 0.00 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 2jbg n LEU 472 Cb 0.00 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2jbg n LEU 472 CO 0.00 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2jbg n GLY 473 N 1.41 -1.80 3.81 -0.72 0.00 -0.15 -4.56 105.19 103.18 2jbg n GLY 473 Ca 0.21 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 2jbg n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jbg s SER 474 N -4.00 6.98 0.78 1.61 0.01 0.14 -4.80 113.70 114.42 2jbg s SER 474 Ca 0.00 1.16 -0.12 0.00 1.31 0.00 0.00 55.95 58.31 2jbg s SER 474 Cb 0.00 -2.33 0.06 0.00 0.21 0.00 0.00 66.02 63.96 2jbg s SER 474 CO 0.00 0.28 1.14 -2.16 0.41 0.00 0.00 173.24 172.90 2jbg s PRO 475 N -1.03 2.22 -0.07 12.44 0.04 -1.26 0.32 135.00 147.67 2jbg s PRO 475 Ca 0.27 0.32 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 2jbg s PRO 475 Cb -0.19 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2jbg s PRO 475 CO 0.17 -1.45 1.30 0.08 0.04 0.00 0.00 177.00 177.14 2jbg s VAL 476 N -3.42 4.06 0.37 -0.36 1.01 -1.25 -4.78 120.40 116.04 2jbg s VAL 476 Ca 0.61 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.68 2jbg s VAL 476 Cb -0.12 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 2jbg s VAL 476 CO 0.51 -0.04 1.48 -2.65 0.00 0.00 0.00 175.10 174.40 2jbg n PRO 477 N 5.76 2.65 -0.32 2.72 -0.02 -1.26 -1.01 135.00 143.52 2jbg n PRO 477 Ca 0.13 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2jbg n PRO 477 Cb 0.45 -2.65 0.14 0.00 -0.02 0.00 0.00 33.50 31.41 2jbg n PRO 477 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2jbg h ASP 478 N 2.96 0.89 -0.75 2.55 3.04 -1.38 0.15 116.42 123.88 2jbg h ASP 478 Ca -0.50 0.01 0.04 0.00 -3.24 0.00 0.00 57.03 53.33 2jbg h ASP 478 Cb 1.24 -0.18 -0.04 0.00 -1.04 0.00 0.00 39.33 39.31 2jbg h ASP 478 CO 0.64 0.58 0.49 0.03 -2.04 0.00 0.00 179.24 178.94 2jbg h ARG 479 N 1.03 0.88 -0.10 4.15 3.08 -1.86 -0.15 114.38 121.40 2jbg h ARG 479 Ca 0.38 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.19 2jbg h ARG 479 Cb 0.13 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 29.99 2jbg h ARG 479 CO -0.16 0.58 -0.65 0.82 -1.07 0.00 0.00 179.97 179.49 2jbg h ILE 480 N 0.90 1.33 -1.00 2.04 1.08 -1.63 -3.12 117.51 117.12 2jbg h ILE 480 Ca 0.30 -1.93 0.07 0.00 -0.39 0.00 0.00 64.86 62.91 2jbg h ILE 480 Cb 0.07 2.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.92 2jbg h ILE 480 CO -0.09 0.59 0.65 0.00 -0.69 0.00 0.00 178.15 178.61 2jbg h ALA 481 N 0.48 1.39 -0.62 1.87 0.00 -0.28 -1.66 119.26 120.44 2jbg h ALA 481 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jbg h ALA 481 Cb 1.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2jbg h ALA 481 CO 0.13 0.44 0.34 -0.91 0.00 0.00 0.00 179.25 179.25 2jbg h ASN 482 N 1.17 0.76 0.91 0.00 -0.26 -1.01 0.21 115.58 117.36 2jbg h ASN 482 Ca 0.43 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 56.00 2jbg h ASN 482 Cb 0.17 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2jbg h ASN 482 CO -0.18 0.61 -0.56 0.11 -1.06 0.00 0.00 177.43 176.36 2jbg h LYS 483 N 0.86 0.00 0.00 0.81 6.56 -1.26 -3.31 116.57 120.23 2jbg h LYS 483 Ca 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.81 2jbg h LYS 483 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2jbg h LYS 483 CO -0.04 0.56 -1.77 1.28 -2.06 0.00 0.00 179.45 177.42 2jbg n LEU 484 N -3.53 0.17 -4.63 2.94 4.77 -0.89 -4.94 117.00 110.89 2jbg n LEU 484 Ca -0.00 -0.09 -0.46 0.00 -0.03 0.00 0.00 56.01 55.42 2jbg n LEU 484 Cb 0.64 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2jbg n LEU 484 CO 0.40 0.04 0.91 -1.14 -1.33 0.00 0.00 177.39 176.28 2jbg n ARG 485 N -2.09 1.69 -1.25 3.23 0.63 0.71 -1.71 116.66 117.88 2jbg n ARG 485 Ca -0.02 0.60 -0.09 0.00 -0.92 0.00 0.00 57.85 57.42 2jbg n ARG 485 Cb 0.50 -2.21 -0.04 0.00 0.45 0.00 0.00 32.46 31.17 2jbg n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2jbg n ASP 486 N 2.18 -4.68 -4.92 6.15 8.00 0.09 -4.95 116.55 118.42 2jbg n ASP 486 Ca 0.13 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.56 2jbg n ASP 486 Cb 0.28 -2.94 -0.04 0.00 -0.02 0.00 0.00 41.12 38.41 2jbg n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jbg s LYS 487 N -2.47 3.55 -0.05 -1.24 1.02 -0.69 -4.83 119.74 115.03 2jbg s LYS 487 Ca 0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.63 2jbg s LYS 487 Cb 0.00 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 2jbg s LYS 487 CO 0.00 0.43 0.30 -1.21 -0.92 0.00 0.00 175.35 173.94 2jbg s GLU 488 N -3.05 3.73 -0.02 1.68 0.41 -1.26 -1.49 118.70 118.69 2jbg s GLU 488 Ca 0.39 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 2jbg s GLU 488 Cb -0.11 -3.21 0.02 0.00 -1.78 0.00 0.00 34.13 29.05 2jbg s GLU 488 CO 0.28 0.72 0.01 -0.06 -0.49 0.00 0.00 175.26 175.71 2jbg s PHE 489 N -1.03 0.20 0.48 1.61 0.40 -0.64 -4.99 117.98 114.02 2jbg s PHE 489 Ca 0.20 0.04 0.32 0.00 -0.60 0.00 0.00 56.93 56.89 2jbg s PHE 489 Cb -0.15 -0.32 1.76 0.00 0.51 0.00 0.00 43.02 44.82 2jbg s PHE 489 CO 0.09 -0.10 2.18 0.87 0.70 0.00 0.00 175.22 178.96 2jbg h LYS 490 N 7.14 0.00 -2.77 0.44 1.57 -1.91 -2.61 116.57 118.44 2jbg h LYS 490 Ca -0.42 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.45 2jbg h LYS 490 Cb 1.14 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 2jbg h LYS 490 CO 0.48 0.05 0.32 -1.54 -0.57 0.00 0.00 179.45 178.19 2jbg s SER 491 N -5.89 -0.27 0.25 0.86 1.04 -1.26 -3.43 113.70 105.00 2jbg s SER 491 Ca -0.03 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 2jbg s SER 491 Cb 0.13 0.63 0.31 0.00 0.10 0.00 0.00 66.02 67.19 2jbg s SER 491 CO 0.53 -1.14 1.74 0.15 0.98 0.00 0.00 173.24 175.50 2jbg h PHE 492 N 2.00 0.87 -1.01 5.02 3.57 -1.88 -1.77 116.94 123.74 2jbg h PHE 492 Ca -0.22 -0.13 0.05 0.00 3.53 0.00 0.00 57.97 61.20 2jbg h PHE 492 Cb 1.25 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 2jbg h PHE 492 CO 0.39 0.80 0.66 0.22 -2.23 0.00 0.00 178.31 178.15 2jbg h ASP 493 N 0.75 1.08 0.17 0.41 3.58 -1.99 0.43 116.42 120.86 2jbg h ASP 493 Ca 0.14 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 2jbg h ASP 493 Cb 0.47 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2jbg h ASP 493 CO 0.02 0.73 -0.26 -0.78 -2.88 0.00 0.00 179.24 176.07 2jbg h ASP 494 N 1.25 0.15 -0.13 2.28 3.58 -1.78 -1.81 116.42 119.96 2jbg h ASP 494 Ca 0.41 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.75 2jbg h ASP 494 Cb 0.05 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2jbg h ASP 494 CO -0.14 0.41 -0.21 0.15 -2.88 0.00 0.00 179.24 176.57 2jbg h PHE 495 N 0.14 0.45 -0.61 0.28 3.57 0.17 -2.67 116.94 118.27 2jbg h PHE 495 Ca 0.02 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.41 2jbg h PHE 495 Cb 0.54 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2jbg h PHE 495 CO 0.01 0.82 0.34 -0.09 -2.23 0.00 0.00 178.31 177.16 2jbg h ARG 496 N -0.05 0.62 -0.38 1.11 2.43 0.04 0.26 114.38 118.42 2jbg h ARG 496 Ca 0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2jbg h ARG 496 Cb 0.79 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2jbg h ARG 496 CO 0.05 0.41 0.18 0.87 -1.51 0.00 0.00 179.97 179.97 2jbg h LYS 497 N 0.64 0.54 -0.49 0.20 1.57 -1.36 -1.06 116.57 116.61 2jbg h LYS 497 Ca 0.27 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2jbg h LYS 497 Cb 0.14 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2jbg h LYS 497 CO -0.16 0.48 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.94 2jbg h LYS 498 N 0.47 0.85 0.55 3.15 3.11 -1.08 -1.15 116.57 122.47 2jbg h LYS 498 Ca 0.13 -0.26 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 2jbg h LYS 498 Cb 0.12 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 2jbg h LYS 498 CO -0.02 0.87 -0.49 0.35 -2.81 0.00 0.00 179.45 177.36 2jbg h PHE 499 N 0.78 -1.34 -0.19 1.91 3.57 -0.06 -0.31 116.94 121.30 2jbg h PHE 499 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2jbg h PHE 499 Cb 0.52 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2jbg h PHE 499 CO 0.03 -0.67 0.06 -1.49 -2.23 0.00 0.00 178.31 174.00 2jbg h TRP 500 N -1.03 0.25 -0.58 0.41 4.06 -1.12 -1.71 115.95 116.24 2jbg h TRP 500 Ca -0.07 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 2jbg h TRP 500 Cb 0.88 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.93 2jbg h TRP 500 CO -0.22 0.22 0.24 0.93 -3.56 0.00 0.00 178.44 176.05 2jbg h GLU 501 N 0.26 0.86 -0.55 0.49 5.08 -0.67 -1.90 114.58 118.15 2jbg h GLU 501 Ca 0.07 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2jbg h GLU 501 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jbg h GLU 501 CO -0.00 0.73 0.07 0.93 -1.00 0.00 0.00 179.01 179.73 2jbg h GLU 502 N 0.79 0.90 -0.45 2.33 4.39 -0.30 -2.61 114.58 119.63 2jbg h GLU 502 Ca 0.19 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.68 2jbg h GLU 502 Cb 0.19 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2jbg h GLU 502 CO -0.02 0.85 0.28 0.28 -1.16 0.00 0.00 179.01 179.24 2jbg h VAL 503 N 0.84 1.07 0.00 3.13 2.07 -0.85 -0.87 116.25 121.65 2jbg h VAL 503 Ca 0.17 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2jbg h VAL 503 Cb 0.41 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2jbg h VAL 503 CO 0.01 0.10 0.00 0.77 0.02 0.00 0.00 177.57 178.47 2jbg h SER 504 N 0.56 0.00 0.42 0.57 4.64 -0.98 -1.92 113.55 116.82 2jbg h SER 504 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2jbg h SER 504 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2jbg h SER 504 CO -0.07 0.00 -1.12 0.29 -0.87 0.00 0.00 176.83 175.06 2jbg n LYS 505 N -2.63 0.34 -2.75 4.77 5.02 -0.40 -4.79 118.16 117.72 2jbg n LYS 505 Ca -0.01 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 2jbg n LYS 505 Cb 0.13 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 2jbg n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jbg s ASP 506 N -4.06 6.42 0.27 4.39 -1.08 -0.72 -4.93 116.67 116.95 2jbg s ASP 506 Ca 0.02 -0.09 -0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2jbg s ASP 506 Cb 0.14 -2.48 0.63 0.00 -1.46 0.00 0.00 42.92 39.75 2jbg s ASP 506 CO 0.81 -1.27 1.66 -0.65 0.52 0.00 0.00 175.17 176.25 2jbg h PRO 507 N 9.33 0.24 0.00 4.34 0.11 -1.87 0.14 132.00 144.29 2jbg h PRO 507 Ca -0.25 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2jbg h PRO 507 Cb 1.07 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jbg h PRO 507 CO 1.11 0.16 -0.03 0.93 -0.21 0.00 0.00 178.00 179.96 2jbg h GLU 508 N 0.25 0.00 0.02 1.05 4.39 -1.94 -2.90 114.58 115.45 2jbg h GLU 508 Ca 0.51 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.86 2jbg h GLU 508 Cb 0.97 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.58 2jbg h GLU 508 CO -0.60 0.03 -1.96 1.28 -1.16 0.00 0.00 179.01 176.61 2jbg n LEU 509 N -3.14 2.16 -0.15 1.33 4.77 -0.08 -4.39 117.00 117.50 2jbg n LEU 509 Ca 0.01 0.29 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2jbg n LEU 509 Cb 0.34 -0.94 0.44 0.00 -2.33 0.00 0.00 43.42 40.94 2jbg n LEU 509 CO 0.29 0.55 1.20 0.77 -1.33 0.00 0.00 177.39 178.87 2jbg h SER 510 N -0.70 0.49 0.36 -1.43 4.64 -0.88 0.24 113.55 116.28 2jbg h SER 510 Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2jbg h SER 510 Cb 1.60 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2jbg h SER 510 CO -0.22 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2jbg n LYS 511 N -4.49 0.10 -0.01 4.77 5.02 -1.10 -1.35 118.16 121.10 2jbg n LYS 511 Ca 0.12 0.45 0.14 0.00 -2.02 0.00 0.00 58.31 56.99 2jbg n LYS 511 Cb 0.38 -1.73 0.57 0.00 -0.02 0.00 0.00 35.03 34.23 2jbg n LYS 511 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2jbg n GLN 512 N -1.92 1.53 -4.35 1.97 6.02 0.86 -4.88 117.38 116.60 2jbg n GLN 512 Ca 0.01 -0.77 -0.24 0.00 -0.01 0.00 0.00 57.00 55.99 2jbg n GLN 512 Cb 0.12 -1.46 -0.12 0.00 1.02 0.00 0.00 30.24 29.81 2jbg n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2jbg s PHE 513 N -1.96 1.96 0.90 1.08 0.08 -0.46 -5.08 117.98 114.51 2jbg s PHE 513 Ca 0.38 -0.43 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 2jbg s PHE 513 Cb 0.20 -1.00 0.13 0.00 -0.57 0.00 0.00 43.02 41.79 2jbg s PHE 513 CO 0.32 0.35 1.10 -1.54 -0.10 0.00 0.00 175.22 175.36 2jbg s SER 514 N -2.50 3.49 0.20 1.36 1.04 -1.26 -4.76 113.70 111.27 2jbg s SER 514 Ca 0.15 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 2jbg s SER 514 Cb -0.07 -1.91 0.14 0.00 0.10 0.00 0.00 66.02 64.27 2jbg s SER 514 CO 0.07 -2.59 1.87 0.03 0.98 0.00 0.00 173.24 173.60 2jbg h ARG 515 N -1.52 0.92 -0.52 4.02 3.08 -1.99 0.76 114.38 119.13 2jbg h ARG 515 Ca -0.50 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.39 2jbg h ARG 515 Cb 1.30 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2jbg h ARG 515 CO 0.58 0.61 -0.05 -0.91 -1.07 0.00 0.00 179.97 179.13 2jbg h ASN 516 N 0.95 0.92 0.40 7.04 4.21 -2.00 -2.00 115.58 125.09 2jbg h ASN 516 Ca 0.26 -0.27 -0.15 0.00 1.21 0.00 0.00 56.30 57.35 2jbg h ASN 516 Cb -0.11 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.83 2jbg h ASN 516 CO -0.06 1.00 -0.63 0.78 -1.29 0.00 0.00 177.43 177.23 2jbg h ASN 517 N 0.85 0.26 -0.59 5.81 2.35 -1.82 -2.87 115.58 119.56 2jbg h ASN 517 Ca 0.15 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2jbg h ASN 517 Cb 0.57 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2jbg h ASN 517 CO 0.03 0.82 0.08 0.78 -1.65 0.00 0.00 177.43 177.50 2jbg h ASN 518 N 0.16 0.97 -0.72 5.81 4.21 -0.59 -2.34 115.58 123.09 2jbg h ASN 518 Ca -0.01 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2jbg h ASN 518 Cb 1.15 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 38.05 2jbg h ASN 518 CO 0.10 0.98 0.46 0.44 -1.29 0.00 0.00 177.43 178.12 2jbg h ASP 519 N 0.95 0.85 0.03 5.81 3.32 -1.22 -1.47 116.42 124.69 2jbg h ASP 519 Ca 0.19 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2jbg h ASP 519 Cb 0.44 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jbg h ASP 519 CO 0.01 0.63 -0.01 0.03 -1.72 0.00 0.00 179.24 178.18 2jbg h ARG 520 N 0.99 -0.04 -0.46 3.56 3.08 -1.24 -3.05 114.38 117.22 2jbg h ARG 520 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2jbg h ARG 520 Cb -0.09 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2jbg h ARG 520 CO -0.05 0.14 0.24 0.52 -1.07 0.00 0.00 179.97 179.74 2jbg h MET 521 N -0.21 0.62 0.00 0.04 2.86 -1.14 -0.79 114.93 116.31 2jbg h MET 521 Ca -0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2jbg h MET 521 Cb 0.19 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2jbg h MET 521 CO 0.01 0.47 -0.03 -0.22 1.06 0.00 0.00 176.91 178.20 2jbg h LYS 522 N 0.63 0.00 -0.63 1.72 1.63 -1.17 -0.75 116.57 118.01 2jbg h LYS 522 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2jbg h LYS 522 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2jbg h LYS 522 CO -0.03 0.03 0.00 1.33 -3.45 0.00 0.00 179.45 177.33 2jbg n VAL 523 N -4.50 2.05 -0.88 2.00 0.24 -0.70 -4.84 118.33 111.70 2jbg n VAL 523 Ca -0.03 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 2jbg n VAL 523 Cb 0.11 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2jbg n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jbg n GLY 524 N 0.99 0.51 3.86 7.63 0.00 -0.30 -5.03 105.19 112.85 2jbg n GLY 524 Ca 0.26 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2jbg n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jbg s LYS 525 N -0.85 3.34 0.51 1.61 1.02 -0.39 -4.11 119.74 120.87 2jbg s LYS 525 Ca 0.00 -0.28 -0.21 0.00 0.02 0.00 0.00 55.97 55.50 2jbg s LYS 525 Cb 0.00 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2jbg s LYS 525 CO 0.00 0.71 1.19 0.00 -0.92 0.00 0.00 175.35 176.34 2jbg s ALA 526 N -1.15 2.83 0.74 5.17 0.00 -1.26 -2.69 121.76 125.40 2jbg s ALA 526 Ca 0.21 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 2jbg s ALA 526 Cb -0.12 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2jbg s ALA 526 CO 0.11 -0.86 1.11 -1.25 0.00 0.00 0.00 175.76 174.87 2jbg s PRO 527 N -2.94 2.32 0.31 0.00 0.04 -1.26 -4.74 135.00 128.72 2jbg s PRO 527 Ca 0.69 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 2jbg s PRO 527 Cb -0.30 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2jbg s PRO 527 CO 0.35 -1.61 1.06 0.15 0.04 0.00 0.00 177.00 176.99 2jbg s LYS 528 N -4.55 4.54 0.79 4.56 -0.14 -1.26 -1.96 119.74 121.72 2jbg s LYS 528 Ca 0.64 1.68 -0.06 0.00 -1.36 0.00 0.00 55.97 56.88 2jbg s LYS 528 Cb -0.20 -3.02 0.14 0.00 -1.68 0.00 0.00 37.83 33.08 2jbg s LYS 528 CO 0.51 0.16 1.10 0.95 -0.76 0.00 0.00 175.35 177.30 2jbg s THR 529 N -1.30 2.11 0.61 2.17 -4.23 -0.55 -4.82 115.64 109.63 2jbg s THR 529 Ca 0.48 -0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 60.44 2jbg s THR 529 Cb -0.28 -2.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2jbg s THR 529 CO 0.36 0.00 1.09 -0.13 -0.54 0.00 0.00 174.62 175.41 2jbg s ARG 530 N -5.38 3.08 0.25 3.99 0.52 -1.26 -4.92 118.95 115.23 2jbg s ARG 530 Ca 0.68 1.37 -0.03 0.00 -0.52 0.00 0.00 55.73 57.23 2jbg s ARG 530 Cb -0.05 -1.99 0.49 0.00 0.52 0.00 0.00 34.95 33.92 2jbg s ARG 530 CO 0.47 -1.03 1.71 1.15 0.02 0.00 0.00 175.30 177.63 2jbg h THR 531 N 0.40 0.60 0.00 0.02 2.02 -1.96 -0.64 112.91 113.34 2jbg h THR 531 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2jbg h THR 531 Cb 1.24 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2jbg h THR 531 CO 0.56 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.52 2jbg n GLN 532 N -5.05 0.05 -0.02 6.66 10.64 -1.26 -2.49 117.38 125.91 2jbg n GLN 532 Ca 0.15 0.47 0.06 0.00 -1.83 0.00 0.00 57.00 55.85 2jbg n GLN 532 Cb 0.46 -1.64 0.07 0.00 -0.86 0.00 0.00 30.24 28.27 2jbg n GLN 532 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2jbg n ASP 533 N -1.74 2.15 -4.63 2.61 8.00 -0.25 -5.01 116.55 117.68 2jbg n ASP 533 Ca 0.01 -1.57 -0.29 0.00 0.71 0.00 0.00 54.79 53.64 2jbg n ASP 533 Cb 0.07 -0.03 0.13 0.00 -0.02 0.00 0.00 41.12 41.26 2jbg n ASP 533 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jbg s VAL 534 N -1.03 1.99 -0.34 2.53 -7.23 -1.04 -2.74 120.40 112.54 2jbg s VAL 534 Ca 0.16 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 2jbg s VAL 534 Cb 0.11 -2.97 0.16 0.00 0.56 0.00 0.00 36.38 34.24 2jbg s VAL 534 CO 0.16 0.00 0.44 -0.55 -0.31 0.00 0.00 175.10 174.83 2jbg s SER 535 N -4.62 0.30 1.41 4.85 0.15 -0.35 -4.48 113.70 110.97 2jbg s SER 535 Ca 0.66 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2jbg s SER 535 Cb -0.09 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2jbg s SER 535 CO 0.51 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2jbg n GLY 536 N 4.83 2.39 0.00 9.45 0.00 -1.26 -1.95 105.19 118.66 2jbg n GLY 536 Ca 0.06 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.85 2jbg n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jbg n LYS 537 N 13.32 0.63 -3.00 1.61 5.02 -1.26 -4.55 118.16 129.93 2jbg n LYS 537 Ca 0.00 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 2jbg n LYS 537 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 2jbg n LYS 537 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jbg s ARG 538 N -2.29 3.11 -0.07 1.97 0.52 -0.82 -4.85 118.95 116.52 2jbg s ARG 538 Ca 0.34 -0.97 0.10 0.00 -0.52 0.00 0.00 55.73 54.68 2jbg s ARG 538 Cb 0.19 -4.20 0.15 0.00 0.52 0.00 0.00 34.95 31.60 2jbg s ARG 538 CO 0.37 -1.58 1.06 0.25 0.02 0.00 0.00 175.30 175.42 2jbg n THR 539 N 5.76 1.36 -4.08 0.02 -2.24 -1.26 -1.21 114.28 112.63 2jbg n THR 539 Ca -0.06 -1.55 -0.11 0.00 -2.27 0.00 0.00 64.05 60.06 2jbg n THR 539 Cb 0.44 0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 2jbg n THR 539 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jbg s SER 540 N -1.90 0.79 0.45 3.42 1.04 -1.26 -1.49 113.70 114.75 2jbg s SER 540 Ca 0.16 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.63 2jbg s SER 540 Cb 0.14 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 2jbg s SER 540 CO 0.02 -0.34 1.01 0.49 0.98 0.00 0.00 173.24 175.39 2jbg n PHE 541 N 0.89 1.13 -4.45 5.02 3.72 -0.83 -4.46 117.46 118.48 2jbg n PHE 541 Ca -0.19 0.53 -0.23 0.00 -0.05 0.00 0.00 57.45 57.51 2jbg n PHE 541 Cb 0.57 -2.22 -0.10 0.00 -0.94 0.00 0.00 39.48 36.79 2jbg n PHE 541 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2jbg s GLU 542 N -2.15 1.61 -0.22 -1.08 2.02 0.28 -4.81 118.70 114.35 2jbg s GLU 542 Ca 0.65 -1.72 -0.08 0.00 0.02 0.00 0.00 54.97 53.84 2jbg s GLU 542 Cb -0.53 -1.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 2jbg s GLU 542 CO 0.55 0.32 0.09 -0.51 0.02 0.00 0.00 175.26 175.73 2jbg s LEU 543 N -3.39 3.82 -0.12 1.80 1.43 -1.26 -1.28 118.68 119.68 2jbg s LEU 543 Ca 0.28 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2jbg s LEU 543 Cb -0.05 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2jbg s LEU 543 CO 0.13 0.09 -0.01 -2.28 0.23 0.00 0.00 176.35 174.52 2jbg s HIS 544 N 0.86 3.11 -0.16 0.29 5.65 0.48 -4.93 115.29 120.59 2jbg s HIS 544 Ca 0.05 -0.02 -0.13 0.00 0.25 0.00 0.00 55.06 55.21 2jbg s HIS 544 Cb -0.13 -1.89 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2jbg s HIS 544 CO 0.03 0.23 0.27 -1.01 -0.65 0.00 0.00 174.74 173.61 2jbg s HIS 545 N -0.24 3.47 -1.28 3.88 3.76 -1.26 -1.39 115.29 122.23 2jbg s HIS 545 Ca 0.05 0.58 0.13 0.00 -0.15 0.00 0.00 55.06 55.67 2jbg s HIS 545 Cb -0.12 -2.30 0.01 0.00 1.11 0.00 0.00 32.58 31.27 2jbg s HIS 545 CO 0.02 0.28 0.77 -1.91 -0.85 0.00 0.00 174.74 173.05 2jbg n GLU 546 N 3.44 1.75 -0.09 1.40 4.07 0.23 -5.01 120.64 126.43 2jbg n GLU 546 Ca -0.13 -0.79 -0.12 0.00 -0.06 0.00 0.00 57.16 56.06 2jbg n GLU 546 Cb 0.52 -1.19 -0.15 0.00 -0.06 0.00 0.00 31.44 30.56 2jbg n GLU 546 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2jbg n VAL 555 N -0.07 1.46 -1.06 6.31 0.31 -1.26 -5.07 118.33 118.95 2jbg n VAL 555 Ca 0.06 -0.77 0.08 0.00 -0.01 0.00 0.00 64.34 63.70 2jbg n VAL 555 Cb 0.29 -0.84 0.22 0.00 -0.91 0.00 0.00 33.84 32.60 2jbg n VAL 555 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2jbg n TYR 556 N -2.95 0.65 -2.68 3.52 4.02 -1.26 -4.92 117.16 113.54 2jbg n TYR 556 Ca -0.35 -0.97 -0.42 0.00 -0.01 0.00 0.00 57.90 56.16 2jbg n TYR 556 Cb 1.10 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 40.11 2jbg n TYR 556 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2jbg s ASP 557 N -2.28 6.26 0.35 7.72 3.68 -1.26 -1.35 116.67 129.78 2jbg s ASP 557 Ca 0.39 -0.91 0.20 0.00 2.13 0.00 0.00 52.55 54.36 2jbg s ASP 557 Cb 0.33 -2.50 1.11 0.00 -1.45 0.00 0.00 42.92 40.40 2jbg s ASP 557 CO 0.06 -1.60 1.59 0.24 0.13 0.00 0.00 175.17 175.60 2jbg h MET 558 N 9.75 0.00 -0.00 4.34 2.86 -0.21 0.16 114.93 131.83 2jbg h MET 558 Ca -0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2jbg h MET 558 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2jbg h MET 558 CO 1.26 0.00 -0.34 -0.25 1.06 0.00 0.00 176.91 178.64 2jbg n ASP 559 N -2.25 0.55 -0.50 1.22 8.00 -1.26 -3.48 116.55 118.83 2jbg n ASP 559 Ca -0.01 -0.33 0.04 0.00 0.71 0.00 0.00 54.79 55.20 2jbg n ASP 559 Cb 0.13 0.10 0.12 0.00 -0.02 0.00 0.00 41.12 41.44 2jbg n ASP 559 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jbg n ALA 560 N -1.25 2.14 -2.77 2.24 0.00 0.56 -4.97 120.51 116.44 2jbg n ALA 560 Ca 0.08 -1.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.08 2jbg n ALA 560 Cb 0.33 -0.34 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2jbg n ALA 560 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jbg s ILE 561 N -1.00 2.70 0.06 0.00 1.01 -1.12 0.74 121.20 123.58 2jbg s ILE 561 Ca 0.18 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2jbg s ILE 561 Cb 0.09 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2jbg s ILE 561 CO 0.12 0.56 -0.03 -0.94 0.00 0.00 0.00 174.94 174.66 2jbg s SER 562 N -0.17 0.55 -0.25 3.58 1.04 -0.49 -3.88 113.70 114.09 2jbg s SER 562 Ca -0.02 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 2jbg s SER 562 Cb -0.14 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 2jbg s SER 562 CO 0.03 -0.59 0.19 -0.69 0.98 0.00 0.00 173.24 173.16 2jbg s VAL 563 N -3.89 5.33 0.11 5.02 1.01 0.15 -0.39 120.40 127.73 2jbg s VAL 563 Ca 0.09 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2jbg s VAL 563 Cb 0.08 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2jbg s VAL 563 CO -0.09 0.30 -0.09 0.68 0.00 0.00 0.00 175.10 175.91 2jbg s VAL 564 N 1.33 0.93 0.62 2.92 -7.23 -0.40 -0.68 120.40 117.88 2jbg s VAL 564 Ca 0.08 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2jbg s VAL 564 Cb -0.14 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2jbg s VAL 564 CO 0.07 -0.67 1.04 0.42 -0.31 0.00 0.00 175.10 175.65 2jbg s THR 565 N -2.88 4.26 0.32 5.32 -4.23 -0.83 -0.56 115.64 117.05 2jbg s THR 565 Ca 0.09 0.86 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 2jbg s THR 565 Cb 0.00 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.47 2jbg s THR 565 CO -0.01 -0.84 1.93 1.55 -0.54 0.00 0.00 174.62 176.71 2jbg h PRO 566 N -0.09 0.79 0.38 3.99 0.13 -1.78 -0.82 132.00 134.60 2jbg h PRO 566 Ca -0.45 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2jbg h PRO 566 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2jbg h PRO 566 CO 0.59 0.62 -0.18 -0.22 -0.23 0.00 0.00 178.00 178.58 2jbg h LYS 567 N 0.79 -0.49 -0.40 0.86 3.64 -1.74 -2.03 116.57 117.22 2jbg h LYS 567 Ca 0.20 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2jbg h LYS 567 Cb 0.09 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2jbg h LYS 567 CO -0.03 -0.31 -0.00 -0.09 -2.27 0.00 0.00 179.45 176.75 2jbg h ARG 568 N -0.53 0.63 -0.72 1.90 9.65 -1.82 -2.96 114.38 120.53 2jbg h ARG 568 Ca -0.05 -0.15 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2jbg h ARG 568 Cb 0.40 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 2jbg h ARG 568 CO 0.09 0.65 0.38 1.25 2.80 0.00 0.00 179.97 185.13 2jbg h HIS 569 N 0.60 1.01 -0.71 2.20 2.76 -0.95 -1.22 115.15 118.84 2jbg h HIS 569 Ca 0.12 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2jbg h HIS 569 Cb 0.38 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2jbg h HIS 569 CO 0.02 0.72 0.22 0.82 -1.30 0.00 0.00 177.93 178.41 2jbg h ILE 570 N 1.00 1.25 -0.31 6.26 2.04 -1.21 -2.59 117.51 123.95 2jbg h ILE 570 Ca 0.25 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 65.10 2jbg h ILE 570 Cb 0.07 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2jbg h ILE 570 CO -0.04 0.35 -0.29 0.44 0.00 0.00 0.00 178.15 178.61 2jbg h ASP 571 N 1.05 0.68 -0.50 1.72 3.32 -1.35 -1.80 116.42 119.53 2jbg h ASP 571 Ca 0.23 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.04 2jbg h ASP 571 Cb 0.30 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2jbg h ASP 571 CO -0.01 0.93 0.29 0.40 -1.72 0.00 0.00 179.24 179.14 2jbg h ILE 572 N 0.56 1.03 0.00 0.35 2.04 -0.86 0.36 117.51 120.99 2jbg h ILE 572 Ca 0.07 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jbg h ILE 572 Cb 0.79 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2jbg h ILE 572 CO 0.06 0.11 0.00 1.41 0.00 0.00 0.00 178.15 179.73 2jbg n HIS 573 N -4.82 0.32 -0.01 1.37 8.25 -1.01 -2.70 115.22 116.62 2jbg n HIS 573 Ca 0.04 0.10 0.10 0.00 -0.26 0.00 0.00 57.72 57.69 2jbg n HIS 573 Cb 0.08 -0.66 0.28 0.00 1.12 0.00 0.00 29.99 30.82 2jbg n HIS 573 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2jbg n ARG 574 N -1.76 2.48 -1.97 -0.41 1.85 -0.69 -4.94 116.66 111.21 2jbg n ARG 574 Ca 0.06 -2.29 -0.02 0.00 -1.00 0.00 0.00 57.85 54.60 2jbg n ARG 574 Cb 0.35 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.27 2jbg n ARG 574 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jbg n GLY 575 N 1.52 -0.24 0.00 2.89 0.00 -1.02 -5.04 105.19 103.30 2jbg n GLY 575 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jbg n GLY 575 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49