#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujz n ASN 448 N 0.00 0.00 -4.63 6.15 2.85 -1.26 -5.05 115.26 113.32 1ujz n ASN 448 Ca 0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 1ujz n ASN 448 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 1ujz n ASN 448 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1ujz s LYS 449 N 0.74 2.27 1.00 1.20 3.01 -1.26 -4.78 119.74 121.92 1ujz s LYS 449 Ca 0.00 -1.19 -0.11 0.00 -1.01 0.00 0.00 55.97 53.66 1ujz s LYS 449 Cb 0.00 -2.27 0.20 0.00 -1.01 0.00 0.00 37.83 34.75 1ujz s LYS 449 CO 0.00 0.44 1.11 -1.25 0.51 0.00 0.00 175.35 176.16 1ujz s PRO 450 N -2.96 0.31 0.00 -1.68 0.04 -1.14 -4.36 135.00 125.21 1ujz s PRO 450 Ca 0.27 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1ujz s PRO 450 Cb -0.09 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1ujz s PRO 450 CO 0.17 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1ujz n GLY 451 N 0.51 0.13 3.60 0.56 0.00 -0.34 -4.96 105.19 104.68 1ujz n GLY 451 Ca 0.09 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1ujz n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujz s LYS 452 N -2.00 2.47 0.25 1.61 1.02 -1.26 0.33 119.74 122.16 1ujz s LYS 452 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 1ujz s LYS 452 Cb 0.00 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 1ujz s LYS 452 CO 0.00 0.58 0.99 0.00 -0.92 0.00 0.00 175.35 176.00 1ujz s ALA 453 N -1.06 3.36 0.10 5.17 0.00 -0.09 -4.73 121.76 124.52 1ujz s ALA 453 Ca 0.18 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1ujz s ALA 453 Cb -0.11 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ujz s ALA 453 CO 0.09 0.10 0.11 0.95 0.00 0.00 0.00 175.76 177.01 1ujz s THR 454 N -1.18 0.14 0.00 0.00 -4.23 -0.97 0.00 115.64 109.40 1ujz s THR 454 Ca 0.42 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1ujz s THR 454 Cb -0.28 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 71.88 1ujz s THR 454 CO 0.35 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1ujz n GLY 455 N -0.05 1.21 0.00 3.99 0.00 -1.26 0.18 105.19 109.26 1ujz n GLY 455 Ca -0.11 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1ujz n GLY 455 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ujz n LYS 456 N -1.16 2.35 0.00 1.61 4.81 -1.26 -4.89 118.16 119.61 1ujz n LYS 456 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ujz n LYS 456 Cb 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.28 1ujz n LYS 456 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ujz n GLY 457 N 1.70 -0.17 3.23 3.14 0.00 -1.26 -4.15 105.19 107.68 1ujz n GLY 457 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1ujz n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujz s LYS 458 N 0.00 0.82 0.44 1.61 1.02 -0.09 -4.79 119.74 118.75 1ujz s LYS 458 Ca 0.00 -0.70 -0.23 0.00 0.02 0.00 0.00 55.97 55.06 1ujz s LYS 458 Cb 0.00 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.58 1ujz s LYS 458 CO 0.00 -0.26 1.13 -1.25 -0.92 0.00 0.00 175.35 174.04 1ujz s PRO 459 N -3.10 3.88 0.13 -1.68 0.04 -1.26 -1.86 135.00 131.14 1ujz s PRO 459 Ca -0.01 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1ujz s PRO 459 Cb 0.01 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1ujz s PRO 459 CO -0.07 -0.43 -0.11 0.14 0.04 0.00 0.00 177.00 176.57 1ujz s VAL 460 N -1.59 1.19 0.00 -0.36 -7.23 -1.26 -4.95 120.40 106.19 1ujz s VAL 460 Ca 0.62 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1ujz s VAL 460 Cb -0.26 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1ujz s VAL 460 CO 0.32 -0.60 0.00 -0.46 -0.31 0.00 0.00 175.10 174.06 1ujz n ASN 461 N 0.20 0.00 -0.75 4.85 0.23 -1.26 -4.96 115.26 113.57 1ujz n ASN 461 Ca -0.13 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 53.96 1ujz n ASN 461 Cb 0.59 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.44 1ujz n ASN 461 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ujz n ASN 462 N 0.00 2.11 -2.60 0.53 5.03 -1.26 -3.65 115.26 115.43 1ujz n ASN 462 Ca 0.00 -2.13 -0.09 0.00 0.87 0.00 0.00 54.58 53.24 1ujz n ASN 462 Cb 0.00 -0.33 0.04 0.00 -1.02 0.00 0.00 39.78 38.47 1ujz n ASN 462 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1ujz n LYS 463 N 0.37 2.19 -0.33 3.52 4.76 -1.26 -4.91 118.16 122.51 1ujz n LYS 463 Ca 0.11 -3.69 -0.01 0.00 -2.87 0.00 0.00 58.31 51.85 1ujz n LYS 463 Cb 0.39 -1.75 0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1ujz n LYS 463 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1ujz n TRP 464 N -0.54 0.03 0.45 2.13 -0.00 -1.24 -0.88 117.44 117.39 1ujz n TRP 464 Ca 0.18 1.06 0.07 0.00 -0.00 0.00 0.00 57.50 58.81 1ujz n TRP 464 Cb 0.83 -0.82 0.21 0.00 -0.00 0.00 0.00 31.31 31.53 1ujz n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ujz n LEU 465 N -5.27 2.62 0.15 5.87 4.77 -1.26 -4.28 117.00 119.61 1ujz n LEU 465 Ca 0.09 -1.31 0.16 0.00 -0.03 0.00 0.00 56.01 54.91 1ujz n LEU 465 Cb 0.35 -0.33 0.74 0.00 -2.33 0.00 0.00 43.42 41.84 1ujz n LEU 465 CO -0.12 0.63 1.14 0.78 -1.33 0.00 0.00 177.39 178.49 1ujz h ASN 466 N 2.77 0.00 -0.44 -1.43 4.21 -1.43 0.16 115.58 119.43 1ujz h ASN 466 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ujz h ASN 466 Cb 0.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1ujz h ASN 466 CO 0.02 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.75 1ujz n ASN 467 N -4.19 3.26 -4.57 5.81 3.02 -1.26 -4.96 115.26 112.38 1ujz n ASN 467 Ca 0.03 -1.96 -0.49 0.00 -0.03 0.00 0.00 54.58 52.13 1ujz n ASN 467 Cb 0.36 -0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1ujz n ASN 467 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujz n ALA 468 N 1.34 -0.86 0.00 5.41 0.00 0.56 -2.41 120.51 124.55 1ujz n ALA 468 Ca 0.20 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1ujz n ALA 468 Cb 0.56 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1ujz n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ujz n GLY 469 N 1.95 2.06 3.52 0.00 0.00 -1.24 -4.41 105.19 107.07 1ujz n GLY 469 Ca 0.15 -0.09 -0.51 0.00 0.00 0.00 0.00 46.02 45.57 1ujz n GLY 469 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujz n LYS 470 N 0.00 0.61 0.00 1.61 4.76 -1.01 -3.39 118.16 120.73 1ujz n LYS 470 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1ujz n LYS 470 Cb 0.00 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1ujz n LYS 470 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ujz n ASP 471 N 1.86 0.00 -0.84 4.39 8.00 -1.26 -0.35 116.55 128.34 1ujz n ASP 471 Ca 0.17 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.75 1ujz n ASP 471 Cb 0.21 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.49 1ujz n ASP 471 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ujz n LEU 472 N 0.00 3.06 0.00 0.64 4.77 -1.26 -5.00 117.00 119.21 1ujz n LEU 472 Ca 0.00 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 1ujz n LEU 472 Cb 0.00 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1ujz n LEU 472 CO 0.00 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1ujz n GLY 473 N 0.94 -0.43 3.78 -0.72 0.00 0.53 -4.57 105.19 104.72 1ujz n GLY 473 Ca 0.15 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1ujz n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujz s SER 474 N -4.00 5.68 0.80 1.61 0.01 0.10 -4.62 113.70 113.28 1ujz s SER 474 Ca 0.00 0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.30 1ujz s SER 474 Cb 0.00 -1.63 0.10 0.00 0.21 0.00 0.00 66.02 64.70 1ujz s SER 474 CO 0.00 0.26 1.14 -2.16 0.41 0.00 0.00 173.24 172.89 1ujz s PRO 475 N -1.79 1.77 -0.17 12.44 0.04 -1.26 -0.01 135.00 146.03 1ujz s PRO 475 Ca 0.23 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.79 1ujz s PRO 475 Cb -0.12 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1ujz s PRO 475 CO 0.15 -1.62 1.13 0.08 0.04 0.00 0.00 177.00 176.77 1ujz s VAL 476 N -3.50 4.51 0.42 -0.36 1.01 -1.26 -4.77 120.40 116.46 1ujz s VAL 476 Ca 0.64 1.82 -0.25 0.00 0.00 0.00 0.00 61.98 64.18 1ujz s VAL 476 Cb -0.09 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1ujz s VAL 476 CO 0.48 -0.11 1.25 -2.65 0.00 0.00 0.00 175.10 174.06 1ujz n PRO 477 N 6.05 1.88 -0.11 2.72 -0.02 -1.26 -0.92 135.00 143.34 1ujz n PRO 477 Ca 0.12 0.67 -0.04 0.00 -2.02 0.00 0.00 63.50 62.23 1ujz n PRO 477 Cb 0.46 -2.34 0.17 0.00 -0.02 0.00 0.00 33.50 31.76 1ujz n PRO 477 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1ujz h ASP 478 N 2.05 0.75 0.30 2.55 3.04 -1.53 -1.89 116.42 121.69 1ujz h ASP 478 Ca -0.47 -0.18 -0.04 0.00 -3.24 0.00 0.00 57.03 53.10 1ujz h ASP 478 Cb 1.30 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 39.38 1ujz h ASP 478 CO 0.60 0.81 -0.21 0.03 -2.04 0.00 0.00 179.24 178.43 1ujz h ARG 479 N 0.74 0.00 0.07 4.15 3.08 -1.87 -1.34 114.38 119.21 1ujz h ARG 479 Ca 0.15 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.91 1ujz h ARG 479 Cb 0.43 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.51 1ujz h ARG 479 CO 0.02 0.21 -1.17 0.82 -1.07 0.00 0.00 179.97 178.78 1ujz h ILE 480 N 0.00 1.29 -0.79 2.04 5.03 -1.78 -3.18 117.51 120.12 1ujz h ILE 480 Ca -0.00 -2.40 -0.01 0.00 -0.12 0.00 0.00 64.86 62.33 1ujz h ILE 480 Cb 0.41 2.58 -0.04 0.00 -3.03 0.00 0.00 36.82 36.74 1ujz h ILE 480 CO 0.03 0.73 0.45 0.00 -0.68 0.00 0.00 178.15 178.68 1ujz h ALA 481 N 0.35 1.01 0.00 1.87 0.00 -0.90 -1.10 119.26 120.49 1ujz h ALA 481 Ca -0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ujz h ALA 481 Cb 1.83 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1ujz h ALA 481 CO 0.22 0.50 -0.01 -0.91 0.00 0.00 0.00 179.25 179.06 1ujz h ASN 482 N 1.09 0.00 0.75 0.00 2.35 -1.27 0.39 115.58 118.89 1ujz h ASN 482 Ca 0.28 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1ujz h ASN 482 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1ujz h ASN 482 CO -0.05 0.01 -1.31 0.29 -1.65 0.00 0.00 177.43 174.72 1ujz n LYS 483 N -3.29 0.62 -0.01 0.81 4.76 -0.48 -4.36 118.16 116.21 1ujz n LYS 483 Ca -0.03 0.14 0.07 0.00 -2.87 0.00 0.00 58.31 55.62 1ujz n LYS 483 Cb 0.10 -1.79 -0.13 0.00 -1.84 0.00 0.00 35.03 31.37 1ujz n LYS 483 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ujz n LEU 484 N -2.75 0.00 -4.57 -0.35 4.77 -0.59 -4.93 117.00 108.59 1ujz n LEU 484 Ca -0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 1ujz n LEU 484 Cb 0.71 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1ujz n LEU 484 CO 0.42 0.03 0.48 -1.14 -1.33 0.00 0.00 177.39 175.85 1ujz n ARG 485 N -2.12 1.19 0.00 3.23 0.63 0.13 -1.81 116.66 117.90 1ujz n ARG 485 Ca -0.05 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1ujz n ARG 485 Cb 0.48 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1ujz n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ujz n ASP 486 N 1.08 0.00 -4.77 6.15 8.00 0.10 -4.91 116.55 122.20 1ujz n ASP 486 Ca 0.10 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 1ujz n ASP 486 Cb 0.35 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 1ujz n ASP 486 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ujz s LYS 487 N 0.00 3.80 0.15 -1.24 1.02 -0.75 -4.65 119.74 118.08 1ujz s LYS 487 Ca 0.00 1.69 -0.05 0.00 0.02 0.00 0.00 55.97 57.62 1ujz s LYS 487 Cb 0.00 -2.38 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1ujz s LYS 487 CO 0.00 -0.49 0.39 -1.83 -0.92 0.00 0.00 175.35 172.50 1ujz s GLU 488 N -2.74 3.64 0.02 1.68 -1.05 -1.26 -0.91 118.70 118.08 1ujz s GLU 488 Ca 0.63 -0.05 0.02 0.00 -0.15 0.00 0.00 54.97 55.43 1ujz s GLU 488 Cb -0.26 -2.83 -0.02 0.00 -0.44 0.00 0.00 34.13 30.58 1ujz s GLU 488 CO 0.32 0.45 -0.07 -0.06 0.95 0.00 0.00 175.26 176.85 1ujz s PHE 489 N -1.67 0.58 -0.02 4.83 0.08 0.15 -4.97 117.98 116.96 1ujz s PHE 489 Ca 0.41 -0.32 0.22 0.00 0.12 0.00 0.00 56.93 57.37 1ujz s PHE 489 Cb -0.12 -0.36 0.66 0.00 -0.57 0.00 0.00 43.02 42.64 1ujz s PHE 489 CO 0.24 -0.05 1.71 0.87 -0.10 0.00 0.00 175.22 177.89 1ujz h LYS 490 N 5.14 0.00 -2.01 0.44 6.56 -1.90 -0.90 116.57 123.91 1ujz h LYS 490 Ca -0.32 0.00 0.27 0.00 -1.06 0.00 0.00 60.65 59.53 1ujz h LYS 490 Cb 1.20 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.78 1ujz h LYS 490 CO 0.45 0.24 0.73 -1.54 -2.06 0.00 0.00 179.45 177.27 1ujz s SER 491 N -6.22 -0.05 0.36 0.86 1.04 -1.26 -2.89 113.70 105.54 1ujz s SER 491 Ca 0.02 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.24 1ujz s SER 491 Cb 0.09 0.29 0.68 0.00 0.10 0.00 0.00 66.02 67.17 1ujz s SER 491 CO 0.66 -0.56 1.81 0.15 0.98 0.00 0.00 173.24 176.28 1ujz h PHE 492 N 2.00 0.10 -0.57 5.02 3.57 -1.90 -1.70 116.94 123.46 1ujz h PHE 492 Ca -0.27 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 1ujz h PHE 492 Cb 1.21 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1ujz h PHE 492 CO 0.82 0.42 0.02 -0.44 -2.23 0.00 0.00 178.31 176.91 1ujz h ASP 493 N 0.08 0.98 -0.06 0.41 3.32 -1.99 0.20 116.42 119.36 1ujz h ASP 493 Ca 0.01 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1ujz h ASP 493 Cb 0.64 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1ujz h ASP 493 CO 0.05 1.03 -0.17 -0.78 -1.72 0.00 0.00 179.24 177.65 1ujz h ASP 494 N 0.89 0.40 -0.13 6.45 3.58 -1.85 -1.73 116.42 124.03 1ujz h ASP 494 Ca 0.17 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1ujz h ASP 494 Cb 0.52 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1ujz h ASP 494 CO 0.03 0.60 -0.01 0.15 -2.88 0.00 0.00 179.24 177.13 1ujz h PHE 495 N 0.38 0.26 -0.96 0.28 3.57 -0.59 -2.04 116.94 117.85 1ujz h PHE 495 Ca 0.07 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1ujz h PHE 495 Cb 0.52 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1ujz h PHE 495 CO 0.01 0.48 0.62 -0.09 -2.23 0.00 0.00 178.31 177.11 1ujz h ARG 496 N -0.04 1.14 -0.55 1.11 2.43 -0.32 0.28 114.38 118.42 1ujz h ARG 496 Ca 0.04 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1ujz h ARG 496 Cb 0.39 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1ujz h ARG 496 CO 0.01 0.75 -0.10 -0.22 -1.51 0.00 0.00 179.97 178.90 1ujz h LYS 497 N 1.17 1.04 -0.17 0.20 3.64 -1.23 -2.33 116.57 118.90 1ujz h LYS 497 Ca 0.39 -0.38 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1ujz h LYS 497 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ujz h LYS 497 CO -0.14 1.08 -0.53 -0.22 -2.27 0.00 0.00 179.45 177.37 1ujz h LYS 498 N 0.93 0.48 0.83 1.90 3.11 -0.75 -2.71 116.57 120.37 1ujz h LYS 498 Ca 0.14 -0.29 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1ujz h LYS 498 Cb 0.67 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1ujz h LYS 498 CO 0.05 0.89 -0.45 0.35 -2.81 0.00 0.00 179.45 177.48 1ujz h PHE 499 N 0.38 -1.18 -0.20 1.91 3.57 -0.20 -1.85 116.94 119.35 1ujz h PHE 499 Ca 0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ujz h PHE 499 Cb 1.05 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1ujz h PHE 499 CO 0.04 -0.70 0.07 -1.49 -2.23 0.00 0.00 178.31 174.00 1ujz h TRP 500 N -1.18 0.27 -0.63 0.41 4.06 -1.48 -1.49 115.95 115.91 1ujz h TRP 500 Ca -0.11 -0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.77 1ujz h TRP 500 Cb 0.93 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 1ujz h TRP 500 CO -0.06 0.23 0.13 0.93 -3.56 0.00 0.00 178.44 176.12 1ujz h GLU 501 N 0.28 1.00 -0.13 0.49 5.08 -1.29 -1.69 114.58 118.32 1ujz h GLU 501 Ca 0.07 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1ujz h GLU 501 Cb 0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ujz h GLU 501 CO -0.01 0.90 -0.34 0.93 -1.00 0.00 0.00 179.01 179.49 1ujz h GLU 502 N 0.95 0.27 -0.67 2.33 4.39 -0.43 -2.45 114.58 118.96 1ujz h GLU 502 Ca 0.20 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1ujz h GLU 502 Cb 0.36 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1ujz h GLU 502 CO 0.00 0.58 0.16 0.28 -1.16 0.00 0.00 179.01 178.88 1ujz h VAL 503 N 0.23 1.26 0.00 3.13 2.07 -0.82 -2.23 116.25 119.89 1ujz h VAL 503 Ca 0.03 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1ujz h VAL 503 Cb 0.72 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1ujz h VAL 503 CO 0.05 0.36 -0.16 0.77 0.02 0.00 0.00 177.57 178.62 1ujz h SER 504 N 1.01 0.00 0.63 0.57 4.64 -0.87 -2.75 113.55 116.78 1ujz h SER 504 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ujz h SER 504 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1ujz h SER 504 CO 0.00 0.16 -0.72 0.29 -0.87 0.00 0.00 176.83 175.69 1ujz n LYS 505 N -3.55 0.21 -2.82 4.77 5.02 -0.95 -4.76 118.16 116.09 1ujz n LYS 505 Ca -0.01 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1ujz n LYS 505 Cb 0.30 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1ujz n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ujz s ASP 506 N -3.80 6.50 0.28 4.39 -1.08 -0.88 -4.94 116.67 117.14 1ujz s ASP 506 Ca 0.07 0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.25 1ujz s ASP 506 Cb 0.15 -2.45 0.67 0.00 -1.46 0.00 0.00 42.92 39.83 1ujz s ASP 506 CO 0.74 -1.06 1.73 -0.65 0.52 0.00 0.00 175.17 176.46 1ujz h PRO 507 N 9.08 0.51 0.00 4.34 0.11 -1.86 0.31 132.00 144.49 1ujz h PRO 507 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ujz h PRO 507 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ujz h PRO 507 CO 1.03 0.34 0.00 0.93 -0.21 0.00 0.00 178.00 180.09 1ujz h GLU 508 N 0.53 0.00 0.00 1.05 4.39 -1.94 -3.13 114.58 115.48 1ujz h GLU 508 Ca 0.53 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.80 1ujz h GLU 508 Cb 0.91 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.49 1ujz h GLU 508 CO -0.45 0.00 -2.52 1.28 -1.16 0.00 0.00 179.01 176.16 1ujz n LEU 509 N -2.35 2.36 0.20 1.33 4.77 -0.33 -4.47 117.00 118.52 1ujz n LEU 509 Ca 0.04 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.26 1ujz n LEU 509 Cb 0.34 -0.86 0.62 0.00 -2.33 0.00 0.00 43.42 41.20 1ujz n LEU 509 CO 0.26 0.72 1.09 0.77 -1.33 0.00 0.00 177.39 178.90 1ujz h SER 510 N -0.61 0.05 0.37 -1.43 4.64 -1.06 0.07 113.55 115.58 1ujz h SER 510 Ca -0.66 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1ujz h SER 510 Cb 1.73 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 1ujz h SER 510 CO -0.30 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 175.99 1ujz n LYS 511 N -4.52 0.13 -0.07 4.77 5.02 -1.18 -1.44 118.16 120.88 1ujz n LYS 511 Ca -0.01 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 1ujz n LYS 511 Cb 0.15 -1.83 0.39 0.00 -0.02 0.00 0.00 35.03 33.72 1ujz n LYS 511 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ujz n GLN 512 N -2.09 1.72 -4.35 1.97 1.13 0.01 -4.90 117.38 110.87 1ujz n GLN 512 Ca 0.01 -1.08 -0.21 0.00 -1.94 0.00 0.00 57.00 53.78 1ujz n GLN 512 Cb 0.13 -1.40 -0.11 0.00 0.11 0.00 0.00 30.24 28.97 1ujz n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1ujz s PHE 513 N -1.81 1.82 0.97 1.08 0.08 -0.52 -5.07 117.98 114.54 1ujz s PHE 513 Ca 0.33 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 1ujz s PHE 513 Cb 0.18 -0.88 0.17 0.00 -0.57 0.00 0.00 43.02 41.92 1ujz s PHE 513 CO 0.27 0.37 1.15 -1.54 -0.10 0.00 0.00 175.22 175.37 1ujz s SER 514 N -2.92 2.97 0.16 1.36 1.04 -1.26 -4.81 113.70 110.25 1ujz s SER 514 Ca 0.19 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.35 1ujz s SER 514 Cb -0.04 -1.34 0.05 0.00 0.10 0.00 0.00 66.02 64.79 1ujz s SER 514 CO 0.07 -2.88 1.67 0.03 0.98 0.00 0.00 173.24 173.12 1ujz h ARG 515 N -1.72 0.88 -0.44 4.02 3.08 -1.99 -1.46 114.38 116.73 1ujz h ARG 515 Ca -0.50 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.29 1ujz h ARG 515 Cb 1.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1ujz h ARG 515 CO 0.55 0.82 0.03 -0.91 -1.07 0.00 0.00 179.97 179.39 1ujz h ASN 516 N 0.78 0.67 0.40 7.04 4.21 -2.00 -2.13 115.58 124.54 1ujz h ASN 516 Ca 0.17 -0.14 -0.18 0.00 1.21 0.00 0.00 56.30 57.36 1ujz h ASN 516 Cb 0.34 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1ujz h ASN 516 CO 0.00 0.72 -0.77 0.78 -1.29 0.00 0.00 177.43 176.87 1ujz h ASN 517 N 0.67 0.36 -0.73 5.81 2.35 -1.87 -2.89 115.58 119.29 1ujz h ASN 517 Ca 0.14 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1ujz h ASN 517 Cb 0.37 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1ujz h ASN 517 CO 0.01 1.00 0.19 0.78 -1.65 0.00 0.00 177.43 177.76 1ujz h ASN 518 N 0.19 1.09 -0.76 5.81 4.21 -1.04 -2.16 115.58 122.93 1ujz h ASN 518 Ca -0.03 -0.23 0.01 0.00 1.21 0.00 0.00 56.30 57.26 1ujz h ASN 518 Cb 1.35 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 38.22 1ujz h ASN 518 CO 0.12 1.03 0.50 0.44 -1.29 0.00 0.00 177.43 178.24 1ujz h ASP 519 N 1.10 0.88 -0.07 5.81 3.32 -1.34 -0.52 116.42 125.60 1ujz h ASP 519 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1ujz h ASP 519 Cb 0.36 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ujz h ASP 519 CO -0.00 0.64 0.01 0.03 -1.72 0.00 0.00 179.24 178.20 1ujz h ARG 520 N 1.03 0.11 -0.41 3.56 3.08 -1.22 -3.07 114.38 117.47 1ujz h ARG 520 Ca 0.28 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1ujz h ARG 520 Cb -0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1ujz h ARG 520 CO -0.06 0.34 0.12 0.52 -1.07 0.00 0.00 179.97 179.82 1ujz h MET 521 N -0.13 0.59 -0.04 0.04 2.86 -1.07 -1.05 114.93 116.13 1ujz h MET 521 Ca 0.02 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ujz h MET 521 Cb 0.28 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ujz h MET 521 CO 0.00 0.53 0.04 -0.22 1.06 0.00 0.00 176.91 178.32 1ujz h LYS 522 N 0.58 0.00 -0.51 1.72 1.63 -1.00 -0.50 116.57 118.49 1ujz h LYS 522 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1ujz h LYS 522 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1ujz h LYS 522 CO -0.01 0.00 0.00 1.33 -3.45 0.00 0.00 179.45 177.32 1ujz n VAL 523 N -4.10 2.08 -0.69 2.00 0.24 -0.92 -4.86 118.33 112.08 1ujz n VAL 523 Ca -0.02 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1ujz n VAL 523 Cb 0.13 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1ujz n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ujz n GLY 524 N 0.55 0.74 3.90 7.63 0.00 -0.21 -5.04 105.19 112.76 1ujz n GLY 524 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1ujz n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujz s LYS 525 N -0.31 3.58 0.48 1.61 1.02 -0.44 -4.11 119.74 121.57 1ujz s LYS 525 Ca 0.00 -0.15 -0.21 0.00 0.02 0.00 0.00 55.97 55.62 1ujz s LYS 525 Cb 0.00 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.35 1ujz s LYS 525 CO 0.00 0.49 1.07 0.00 -0.92 0.00 0.00 175.35 176.00 1ujz s ALA 526 N -1.63 2.89 0.65 5.17 0.00 -1.26 -2.75 121.76 124.83 1ujz s ALA 526 Ca 0.40 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 1ujz s ALA 526 Cb -0.12 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ujz s ALA 526 CO 0.25 -0.42 1.11 -1.25 0.00 0.00 0.00 175.76 175.45 1ujz s PRO 527 N -3.02 2.84 0.40 0.00 0.04 -1.26 -4.76 135.00 129.23 1ujz s PRO 527 Ca 0.66 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1ujz s PRO 527 Cb -0.20 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1ujz s PRO 527 CO 0.25 -1.22 1.02 -0.65 0.04 0.00 0.00 177.00 176.43 1ujz s GLN 528 N -4.06 4.22 0.61 4.56 -1.52 -1.26 -1.62 119.66 120.59 1ujz s GLN 528 Ca 0.67 1.42 0.02 0.00 -1.95 0.00 0.00 55.36 55.52 1ujz s GLN 528 Cb -0.21 -2.51 0.07 0.00 -0.22 0.00 0.00 33.01 30.15 1ujz s GLN 528 CO 0.41 -0.07 0.84 0.95 -0.25 0.00 0.00 175.29 177.16 1ujz s THR 529 N -1.74 2.43 0.62 -0.19 -4.23 -0.34 -4.81 115.64 107.38 1ujz s THR 529 Ca 0.58 -0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 1ujz s THR 529 Cb -0.19 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1ujz s THR 529 CO 0.24 0.00 1.18 -0.13 -0.54 0.00 0.00 174.62 175.37 1ujz s ARG 530 N -4.86 2.87 0.20 3.99 0.52 -1.26 -4.89 118.95 115.52 1ujz s ARG 530 Ca 0.61 1.70 -0.14 0.00 -0.52 0.00 0.00 55.73 57.37 1ujz s ARG 530 Cb -0.08 -1.93 0.22 0.00 0.52 0.00 0.00 34.95 33.68 1ujz s ARG 530 CO 0.40 -1.26 1.63 1.15 0.02 0.00 0.00 175.30 177.24 1ujz h THR 531 N 0.59 0.37 0.00 0.02 2.02 -1.97 -0.11 112.91 113.82 1ujz h THR 531 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1ujz h THR 531 Cb 1.28 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ujz h THR 531 CO 0.54 0.00 0.08 0.00 0.37 0.00 0.00 175.52 176.52 1ujz n GLN 532 N -5.42 0.04 -0.03 6.66 10.64 -1.26 -1.19 117.38 126.82 1ujz n GLN 532 Ca 0.07 0.49 0.07 0.00 -1.83 0.00 0.00 57.00 55.80 1ujz n GLN 532 Cb 0.32 -1.72 0.08 0.00 -0.86 0.00 0.00 30.24 28.05 1ujz n GLN 532 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1ujz n ASP 533 N -1.69 2.32 -4.82 2.61 8.00 -0.06 -5.01 116.55 117.90 1ujz n ASP 533 Ca -0.00 -1.65 -0.32 0.00 0.71 0.00 0.00 54.79 53.53 1ujz n ASP 533 Cb 0.09 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1ujz n ASP 533 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ujz s VAL 534 N -1.19 4.01 -0.35 2.53 1.01 -0.33 -2.83 120.40 123.26 1ujz s VAL 534 Ca 0.18 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1ujz s VAL 534 Cb 0.13 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.20 1ujz s VAL 534 CO 0.18 -0.67 0.35 -0.55 0.00 0.00 0.00 175.10 174.41 1ujz s SER 535 N -3.20 1.39 1.06 3.32 0.15 -0.35 -4.65 113.70 111.42 1ujz s SER 535 Ca 0.61 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1ujz s SER 535 Cb -0.14 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ujz s SER 535 CO 0.42 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1ujz n GLY 536 N 4.45 1.82 0.14 9.45 0.00 -1.26 -2.36 105.19 117.43 1ujz n GLY 536 Ca 0.08 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1ujz n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujz n LYS 537 N 13.00 0.21 -2.86 1.61 4.76 -1.26 -4.49 118.16 129.13 1ujz n LYS 537 Ca 0.00 0.42 -0.43 0.00 -2.87 0.00 0.00 58.31 55.43 1ujz n LYS 537 Cb 0.00 -1.89 -0.04 0.00 -1.84 0.00 0.00 35.03 31.26 1ujz n LYS 537 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ujz s ARG 538 N -3.32 3.21 -0.11 1.97 0.52 -0.99 -4.83 118.95 115.39 1ujz s ARG 538 Ca 0.05 -1.02 0.16 0.00 -0.52 0.00 0.00 55.73 54.40 1ujz s ARG 538 Cb 0.09 -4.39 0.25 0.00 0.52 0.00 0.00 34.95 31.43 1ujz s ARG 538 CO 0.42 -1.82 1.13 2.89 0.02 0.00 0.00 175.30 177.94 1ujz n ARG 539 N 7.52 1.37 -4.37 3.54 0.00 -1.26 -1.21 116.66 122.24 1ujz n ARG 539 Ca 0.02 -2.40 -0.19 0.00 -0.00 0.00 0.00 57.85 55.29 1ujz n ARG 539 Cb 0.46 -1.40 -0.10 0.00 -0.00 0.00 0.00 32.46 31.42 1ujz n ARG 539 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ujz s SER 540 N -2.61 2.36 0.32 2.89 1.04 -1.26 -1.20 113.70 115.23 1ujz s SER 540 Ca 0.27 -1.16 -0.29 0.00 0.48 0.00 0.00 55.95 55.25 1ujz s SER 540 Cb 0.24 -0.09 -0.10 0.00 0.10 0.00 0.00 66.02 66.16 1ujz s SER 540 CO 0.03 -0.37 1.38 -0.36 0.98 0.00 0.00 173.24 174.89 1ujz s PHE 541 N -3.16 2.96 0.13 5.02 0.08 -0.64 -4.39 117.98 117.98 1ujz s PHE 541 Ca 0.27 1.26 0.09 0.00 0.12 0.00 0.00 56.93 58.66 1ujz s PHE 541 Cb 0.04 -3.78 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 1ujz s PHE 541 CO 0.09 -2.30 -0.16 -1.21 -0.10 0.00 0.00 175.22 171.54 1ujz s GLU 542 N -1.43 1.86 -0.24 0.44 2.02 -0.38 -4.76 118.70 116.20 1ujz s GLU 542 Ca 0.53 -1.18 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 1ujz s GLU 542 Cb -0.42 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1ujz s GLU 542 CO 0.52 0.48 0.44 -0.51 0.02 0.00 0.00 175.26 176.21 1ujz s LEU 543 N -2.26 4.08 -0.07 1.80 1.43 -1.26 -1.39 118.68 121.01 1ujz s LEU 543 Ca 0.19 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1ujz s LEU 543 Cb -0.10 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1ujz s LEU 543 CO 0.11 -0.19 -0.11 -2.28 0.23 0.00 0.00 176.35 174.11 1ujz s HIS 544 N 1.91 2.80 -0.25 0.29 5.65 0.12 -4.94 115.29 120.88 1ujz s HIS 544 Ca 0.19 -0.15 -0.18 0.00 0.25 0.00 0.00 55.06 55.17 1ujz s HIS 544 Cb -0.15 -1.69 -0.03 0.00 -1.18 0.00 0.00 32.58 29.53 1ujz s HIS 544 CO 0.09 0.19 0.49 -1.01 -0.65 0.00 0.00 174.74 173.85 1ujz s HIS 545 N -0.62 3.29 0.09 3.88 3.76 -1.26 -1.63 115.29 122.80 1ujz s HIS 545 Ca 0.09 0.64 -0.34 0.00 -0.15 0.00 0.00 55.06 55.30 1ujz s HIS 545 Cb -0.11 -2.68 -0.16 0.00 1.11 0.00 0.00 32.58 30.74 1ujz s HIS 545 CO 0.01 -0.22 1.59 0.93 -0.85 0.00 0.00 174.74 176.20 1ujz h GLU 546 N 7.87 -0.89 -4.32 1.40 4.39 -1.60 -3.32 114.58 118.11 1ujz h GLU 546 Ca -0.31 0.06 -0.74 0.00 0.34 0.00 0.00 59.36 58.72 1ujz h GLU 546 Cb 1.15 0.20 -0.22 0.00 -0.10 0.00 0.00 28.75 29.78 1ujz h GLU 546 CO 0.71 -0.60 -0.11 0.21 -1.16 0.00 0.00 179.01 178.06 1ujz s LYS 547 N -5.94 3.01 0.34 2.33 2.20 -1.26 -5.04 119.74 115.38 1ujz s LYS 547 Ca -0.18 -1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 53.66 1ujz s LYS 547 Cb 0.05 -4.27 -0.15 0.00 -1.51 0.00 0.00 37.83 31.95 1ujz s LYS 547 CO 0.62 -1.37 0.41 -0.35 -0.36 0.00 0.00 175.35 174.29 1ujz n PRO 548 N 5.62 0.25 -0.14 4.03 -0.04 -1.25 -4.44 135.00 139.03 1ujz n PRO 548 Ca -0.12 0.09 0.26 0.00 -0.04 0.00 0.00 63.50 63.69 1ujz n PRO 548 Cb 0.41 -1.20 0.70 0.00 -0.04 0.00 0.00 33.50 33.37 1ujz n PRO 548 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ujz h ILE 549 N 0.77 0.61 0.06 0.52 1.08 -1.91 -2.35 117.51 116.29 1ujz h ILE 549 Ca -0.35 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1ujz h ILE 549 Cb 1.42 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 1ujz h ILE 549 CO 0.52 0.01 -0.19 0.28 -0.69 0.00 0.00 178.15 178.08 1ujz h SER 550 N 0.03 -0.56 -3.38 1.72 0.02 -1.93 -3.35 113.55 106.11 1ujz h SER 550 Ca 0.39 0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.82 1ujz h SER 550 Cb 1.50 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 64.17 1ujz h SER 550 CO -0.02 -0.21 0.03 0.00 -1.14 0.00 0.00 176.83 175.50 1ujz s GLN 551 N -3.99 4.31 0.00 3.45 -2.07 -0.88 -4.70 119.66 115.78 1ujz s GLN 551 Ca -0.06 0.64 0.00 0.00 -1.82 0.00 0.00 55.36 54.12 1ujz s GLN 551 Cb 0.02 -3.50 0.00 0.00 -1.09 0.00 0.00 33.01 28.44 1ujz s GLN 551 CO 0.22 -0.03 0.00 -1.71 -1.32 0.00 0.00 175.29 172.44 1ujz n ASN 552 N 4.27 0.00 0.00 12.60 5.15 -1.26 -4.50 115.26 131.52 1ujz n ASN 552 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1ujz n ASN 552 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1ujz n ASN 552 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ujz n GLY 553 N 0.00 0.44 0.25 8.20 0.00 -1.25 -5.01 105.19 107.82 1ujz n GLY 553 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ujz n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujz n GLY 554 N 0.00 0.70 0.33 -0.02 0.00 -1.26 -4.54 105.19 100.40 1ujz n GLY 554 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1ujz n GLY 554 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ujz h VAL 555 N 0.00 0.16 -0.61 1.61 2.07 -1.96 -3.31 116.25 114.21 1ujz h VAL 555 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ujz h VAL 555 Cb 0.20 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ujz h VAL 555 CO 0.00 0.03 0.00 -1.22 0.02 0.00 0.00 177.57 176.40 1ujz n TYR 556 N -5.31 1.06 -2.60 1.57 4.02 -1.26 -4.86 117.16 109.79 1ujz n TYR 556 Ca -0.11 -0.47 -0.42 0.00 -0.01 0.00 0.00 57.90 56.90 1ujz n TYR 556 Cb 0.33 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 1ujz n TYR 556 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ujz s ASP 557 N -0.93 6.26 0.35 7.72 2.15 -1.25 -2.29 116.67 128.69 1ujz s ASP 557 Ca 0.44 -0.31 0.21 0.00 0.43 0.00 0.00 52.55 53.33 1ujz s ASP 557 Cb 0.25 -2.54 1.17 0.00 -0.30 0.00 0.00 42.92 41.50 1ujz s ASP 557 CO 0.26 -1.66 1.64 0.24 -0.17 0.00 0.00 175.17 175.47 1ujz h MET 558 N 9.80 0.00 -0.00 4.34 2.86 -0.60 0.43 114.93 131.76 1ujz h MET 558 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1ujz h MET 558 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1ujz h MET 558 CO 1.23 0.00 -0.25 -0.25 1.06 0.00 0.00 176.91 178.70 1ujz n ASP 559 N -2.28 0.29 -0.66 1.22 8.00 -1.26 -3.19 116.55 118.68 1ujz n ASP 559 Ca -0.01 0.03 0.07 0.00 0.71 0.00 0.00 54.79 55.58 1ujz n ASP 559 Cb 0.10 -0.10 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 1ujz n ASP 559 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ujz n ASN 560 N -1.44 3.22 -4.25 -2.24 5.15 0.15 -4.97 115.26 110.88 1ujz n ASN 560 Ca 0.07 -2.50 -0.29 0.00 -0.60 0.00 0.00 54.58 51.26 1ujz n ASN 560 Cb 0.33 -0.36 -0.16 0.00 -0.53 0.00 0.00 39.78 39.07 1ujz n ASN 560 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ujz s ILE 561 N -1.90 1.78 0.13 -1.44 1.01 -1.13 -1.37 121.20 118.28 1ujz s ILE 561 Ca 0.30 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1ujz s ILE 561 Cb 0.21 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1ujz s ILE 561 CO 0.11 0.50 0.23 -0.94 0.00 0.00 0.00 174.94 174.84 1ujz s SER 562 N -0.52 0.09 -0.24 3.58 1.04 -0.65 -4.07 113.70 112.94 1ujz s SER 562 Ca 0.08 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.65 1ujz s SER 562 Cb -0.09 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ujz s SER 562 CO -0.01 -0.80 0.11 -0.69 0.98 0.00 0.00 173.24 172.83 1ujz s VAL 563 N -3.92 4.82 0.13 5.02 1.01 0.99 -0.70 120.40 127.76 1ujz s VAL 563 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1ujz s VAL 563 Cb 0.04 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ujz s VAL 563 CO -0.05 0.35 -0.09 0.68 0.00 0.00 0.00 175.10 175.99 1ujz s VAL 564 N 1.26 1.02 0.63 2.92 -7.23 -0.49 -0.72 120.40 117.79 1ujz s VAL 564 Ca 0.06 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.10 1ujz s VAL 564 Cb -0.14 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1ujz s VAL 564 CO 0.05 -0.77 1.02 0.42 -0.31 0.00 0.00 175.10 175.51 1ujz s THR 565 N -3.42 4.34 0.19 5.32 -4.23 -1.26 -1.25 115.64 115.33 1ujz s THR 565 Ca 0.16 0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 61.21 1ujz s THR 565 Cb 0.03 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.25 1ujz s THR 565 CO -0.01 -0.94 1.86 -0.65 -0.54 0.00 0.00 174.62 174.34 1ujz h PRO 566 N -0.36 0.87 0.12 3.99 0.11 -1.76 0.62 132.00 135.59 1ujz h PRO 566 Ca -0.45 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ujz h PRO 566 Cb 1.21 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1ujz h PRO 566 CO 0.62 0.58 -0.22 0.87 -0.21 0.00 0.00 178.00 179.64 1ujz h LYS 567 N 0.89 -0.41 0.00 1.05 1.79 -1.79 -2.59 116.57 115.52 1ujz h LYS 567 Ca 0.24 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.63 1ujz h LYS 567 Cb -0.10 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ujz h LYS 567 CO -0.05 -0.27 -0.53 -0.09 -1.08 0.00 0.00 179.45 177.43 1ujz h ARG 568 N -0.42 0.00 -0.42 3.15 9.65 -1.86 -1.69 114.38 122.79 1ujz h ARG 568 Ca 0.03 0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1ujz h ARG 568 Cb 0.44 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 1ujz h ARG 568 CO -0.12 0.53 0.29 0.00 2.80 0.00 0.00 179.97 183.47 1ujz h ALA 569 N 1.47 2.18 0.10 2.80 0.00 -0.52 0.86 119.26 126.16 1ujz h ALA 569 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1ujz h ALA 569 Cb 1.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ujz h ALA 569 CO 0.07 -0.29 -1.58 0.82 0.00 0.00 0.00 179.25 178.27 1ujz h ILE 570 N 0.16 0.88 -0.06 0.00 2.04 -1.22 -3.37 117.51 115.96 1ujz h ILE 570 Ca 0.20 -2.35 0.04 0.00 1.00 0.00 0.00 64.86 63.74 1ujz h ILE 570 Cb 0.57 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 39.16 1ujz h ILE 570 CO -0.03 0.71 -0.37 -0.78 0.00 0.00 0.00 178.15 177.68 1ujz h ASP 571 N -0.28 -1.14 -0.42 1.72 1.82 -0.46 -0.34 116.42 117.32 1ujz h ASP 571 Ca -0.35 0.15 0.12 0.00 -0.39 0.00 0.00 57.03 56.56 1ujz h ASP 571 Cb 1.79 0.46 -0.02 0.00 0.68 0.00 0.00 39.33 42.24 1ujz h ASP 571 CO 0.03 -0.41 0.49 0.16 -1.61 0.00 0.00 179.24 177.90 1ujz h ILE 572 N -0.49 0.31 -0.02 2.25 3.07 -1.05 -3.51 117.51 118.07 1ujz h ILE 572 Ca 0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.48 1ujz h ILE 572 Cb 0.60 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 1ujz h ILE 572 CO -0.33 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.18