#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pt3 n PRO 450 N 0.00 -0.08 0.00 -1.58 -0.04 -1.05 -4.57 135.00 127.68 1pt3 n PRO 450 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1pt3 n PRO 450 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1pt3 n PRO 450 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pt3 n GLY 451 N 3.64 3.48 3.97 0.55 0.00 -0.94 -5.00 105.19 110.89 1pt3 n GLY 451 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 1pt3 n GLY 451 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pt3 s LYS 452 N -2.34 3.30 -0.04 1.61 -2.85 -1.26 -0.80 119.74 117.35 1pt3 s LYS 452 Ca 0.00 -0.72 -0.02 0.00 -1.00 0.00 0.00 55.97 54.23 1pt3 s LYS 452 Cb 0.00 -2.78 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1pt3 s LYS 452 CO 0.00 0.16 0.09 0.00 0.10 0.00 0.00 175.35 175.70 1pt3 s ALA 453 N -2.19 3.62 0.09 0.59 0.00 -1.19 -4.66 121.76 118.03 1pt3 s ALA 453 Ca 0.41 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1pt3 s ALA 453 Cb -0.09 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1pt3 s ALA 453 CO 0.32 0.66 -0.01 -0.08 0.00 0.00 0.00 175.76 176.66 1pt3 s THR 454 N -1.11 0.28 0.00 0.00 -1.32 -0.35 -1.42 115.64 111.72 1pt3 s THR 454 Ca 0.20 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1pt3 s THR 454 Cb -0.12 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 1pt3 s THR 454 CO 0.10 -0.79 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 1pt3 n GLY 455 N 0.01 4.37 0.01 6.08 0.00 -1.26 -0.17 105.19 114.22 1pt3 n GLY 455 Ca -0.11 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.60 1pt3 n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pt3 n LYS 456 N -1.92 0.89 -1.02 1.61 5.02 -1.26 -4.80 118.16 116.68 1pt3 n LYS 456 Ca 0.00 -0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1pt3 n LYS 456 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1pt3 n LYS 456 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pt3 n GLY 457 N 1.53 -1.51 3.39 0.72 0.00 -1.26 -4.56 105.19 103.50 1pt3 n GLY 457 Ca -0.01 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 1pt3 n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 458 N -1.63 1.51 0.38 1.61 -0.14 -0.24 -4.71 119.74 116.53 1pt3 s LYS 458 Ca 0.00 -1.81 -0.16 0.00 -1.36 0.00 0.00 55.97 52.64 1pt3 s LYS 458 Cb 0.00 -0.71 -0.09 0.00 -1.68 0.00 0.00 37.83 35.35 1pt3 s LYS 458 CO 0.00 -0.16 0.81 -2.14 -0.76 0.00 0.00 175.35 173.10 1pt3 s PRO 459 N -3.89 4.02 0.07 -1.68 0.02 -1.26 0.16 135.00 132.44 1pt3 s PRO 459 Ca 0.34 0.77 0.04 0.00 0.02 0.00 0.00 61.00 62.17 1pt3 s PRO 459 Cb 0.07 -2.34 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 1pt3 s PRO 459 CO 0.13 0.04 -0.10 0.14 -0.33 0.00 0.00 177.00 176.88 1pt3 s VAL 460 N -2.15 0.86 0.00 3.83 -7.23 -1.26 -4.89 120.40 109.56 1pt3 s VAL 460 Ca 0.56 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1pt3 s VAL 460 Cb -0.10 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1pt3 s VAL 460 CO 0.20 -0.43 0.00 -0.46 -0.31 0.00 0.00 175.10 174.10 1pt3 n ASN 461 N 1.00 0.00 -0.64 4.85 0.23 -1.26 -4.98 115.26 114.46 1pt3 n ASN 461 Ca -0.19 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.99 1pt3 n ASN 461 Cb 0.56 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.65 1pt3 n ASN 461 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pt3 n ASN 462 N 0.00 1.99 -2.58 0.53 6.94 -1.26 -4.19 115.26 116.70 1pt3 n ASN 462 Ca 0.00 -1.67 -0.14 0.00 -0.02 0.00 0.00 54.58 52.75 1pt3 n ASN 462 Cb 0.00 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1pt3 n ASN 462 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1pt3 n LYS 463 N 0.56 2.11 0.00 -3.83 5.02 -1.26 -4.91 118.16 115.84 1pt3 n LYS 463 Ca 0.17 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.73 1pt3 n LYS 463 Cb 0.43 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1pt3 n LYS 463 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1pt3 n TRP 464 N -0.32 0.00 1.03 2.13 -0.00 -1.26 -0.98 117.44 118.04 1pt3 n TRP 464 Ca 0.20 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.79 1pt3 n TRP 464 Cb 0.79 -0.20 0.50 0.00 -0.00 0.00 0.00 31.31 32.39 1pt3 n TRP 464 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1pt3 n LEU 465 N -1.90 0.00 -0.29 5.87 4.77 -1.26 -3.90 117.00 120.29 1pt3 n LEU 465 Ca 0.00 0.05 0.24 0.00 -0.03 0.00 0.00 56.01 56.28 1pt3 n LEU 465 Cb 0.00 -0.05 0.57 0.00 -2.33 0.00 0.00 43.42 41.60 1pt3 n LEU 465 CO 0.00 -0.02 1.24 -1.13 -1.33 0.00 0.00 177.39 176.15 1pt3 h ASN 466 N 0.00 0.33 -0.49 -1.43 -0.73 -1.47 -0.50 115.58 111.30 1pt3 h ASN 466 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1pt3 h ASN 466 Cb 0.03 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1pt3 h ASN 466 CO 0.00 0.08 0.00 -0.46 -0.37 0.00 0.00 177.43 176.68 1pt3 n ASN 467 N -4.50 3.62 0.00 1.15 0.23 -1.25 -4.54 115.26 109.96 1pt3 n ASN 467 Ca 0.23 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 1pt3 n ASN 467 Cb 0.90 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1pt3 n ASN 467 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pt3 n ALA 468 N 0.78 1.32 -0.07 -2.53 0.00 -0.19 -0.52 120.51 119.30 1pt3 n ALA 468 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.68 1pt3 n ALA 468 Cb 0.61 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.32 1pt3 n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pt3 n GLY 469 N -0.93 2.22 3.08 0.00 0.00 -1.26 -1.30 105.19 107.00 1pt3 n GLY 469 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1pt3 n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 470 N -1.00 0.97 7.67 1.61 3.01 0.32 -4.77 119.74 127.55 1pt3 s LYS 470 Ca 0.23 -0.47 0.00 0.00 -1.01 0.00 0.00 55.97 54.72 1pt3 s LYS 470 Cb 0.13 -0.94 0.00 0.00 -1.01 0.00 0.00 37.83 36.01 1pt3 s LYS 470 CO 0.17 0.25 0.00 -0.25 0.51 0.00 0.00 175.35 176.03 1pt3 n ASP 471 N 2.67 0.00 -1.28 2.83 8.00 -1.26 -1.17 116.55 126.34 1pt3 n ASP 471 Ca -0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.43 1pt3 n ASP 471 Cb 0.56 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.93 1pt3 n ASP 471 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pt3 n LEU 472 N 0.00 3.75 0.00 0.64 4.77 -1.26 -4.94 117.00 119.96 1pt3 n LEU 472 Ca 0.00 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1pt3 n LEU 472 Cb 0.00 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1pt3 n LEU 472 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1pt3 n GLY 473 N 0.97 -1.23 3.91 -0.72 0.00 -0.31 -4.58 105.19 103.22 1pt3 n GLY 473 Ca 0.20 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1pt3 n GLY 473 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pt3 s SER 474 N -4.00 6.46 0.76 1.61 0.01 0.35 -4.75 113.70 114.15 1pt3 s SER 474 Ca 0.00 0.60 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 1pt3 s SER 474 Cb 0.00 -2.09 0.13 0.00 0.21 0.00 0.00 66.02 64.27 1pt3 s SER 474 CO 0.00 -0.05 1.06 -2.16 0.41 0.00 0.00 173.24 172.50 1pt3 s PRO 475 N -3.07 1.55 -0.09 12.44 0.04 -1.26 0.11 135.00 144.72 1pt3 s PRO 475 Ca 0.42 -0.84 -0.28 0.00 0.04 0.00 0.00 61.00 60.34 1pt3 s PRO 475 Cb -0.11 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1pt3 s PRO 475 CO 0.27 -1.60 0.91 0.08 0.04 0.00 0.00 177.00 176.69 1pt3 s VAL 476 N -3.30 4.87 0.40 -0.36 1.01 -1.26 -4.72 120.40 117.04 1pt3 s VAL 476 Ca 0.67 1.85 -0.27 0.00 0.00 0.00 0.00 61.98 64.23 1pt3 s VAL 476 Cb -0.06 -4.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1pt3 s VAL 476 CO 0.46 0.09 1.37 -2.84 0.00 0.00 0.00 175.10 174.18 1pt3 s PRO 477 N 1.60 3.99 0.14 2.72 0.02 -1.26 -1.08 135.00 141.13 1pt3 s PRO 477 Ca 0.45 2.32 -0.28 0.00 0.02 0.00 0.00 61.00 63.51 1pt3 s PRO 477 Cb -0.18 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1pt3 s PRO 477 CO 0.19 -0.53 1.59 0.38 -0.33 0.00 0.00 177.00 178.29 1pt3 h ASP 478 N 2.77 -1.26 -0.99 2.53 3.04 0.13 -0.28 116.42 122.36 1pt3 h ASP 478 Ca -0.50 0.17 0.23 0.00 -3.24 0.00 0.00 57.03 53.70 1pt3 h ASP 478 Cb 1.25 0.52 -0.09 0.00 -1.04 0.00 0.00 39.33 39.97 1pt3 h ASP 478 CO 0.63 -0.41 0.64 0.03 -2.04 0.00 0.00 179.24 178.09 1pt3 h ARG 479 N -0.45 0.45 -0.13 4.15 3.08 -1.91 0.15 114.38 119.73 1pt3 h ARG 479 Ca 0.09 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 1pt3 h ARG 479 Cb 0.61 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1pt3 h ARG 479 CO -0.41 0.30 -0.74 0.82 -1.07 0.00 0.00 179.97 178.86 1pt3 h ILE 480 N 0.46 1.30 -0.44 2.04 1.08 -1.67 -3.06 117.51 117.22 1pt3 h ILE 480 Ca 0.55 -1.97 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1pt3 h ILE 480 Cb 1.29 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.10 1pt3 h ILE 480 CO -0.27 0.62 0.26 0.00 -0.69 0.00 0.00 178.15 178.06 1pt3 h ALA 481 N 0.51 1.63 -0.35 1.87 0.00 0.98 -2.50 119.26 121.40 1pt3 h ALA 481 Ca -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pt3 h ALA 481 Cb 1.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pt3 h ALA 481 CO 0.15 0.32 0.06 -0.91 0.00 0.00 0.00 179.25 178.88 1pt3 h ASN 482 N 0.60 0.55 0.08 0.00 2.35 -1.31 0.53 115.58 118.40 1pt3 h ASN 482 Ca 0.16 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1pt3 h ASN 482 Cb -0.02 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1pt3 h ASN 482 CO -0.03 0.67 -0.08 0.11 -1.65 0.00 0.00 177.43 176.45 1pt3 h LYS 483 N 0.42 0.00 0.00 0.81 1.79 -1.36 -2.97 116.57 115.26 1pt3 h LYS 483 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1pt3 h LYS 483 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1pt3 h LYS 483 CO 0.01 0.08 -1.60 1.28 -1.08 0.00 0.00 179.45 178.13 1pt3 n LEU 484 N -4.43 0.30 -4.58 2.94 4.77 -0.99 -4.92 117.00 110.09 1pt3 n LEU 484 Ca -0.03 -0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.40 1pt3 n LEU 484 Cb 0.16 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1pt3 n LEU 484 CO 0.35 0.08 0.45 -1.14 -1.33 0.00 0.00 177.39 175.79 1pt3 n ARG 485 N -1.97 0.99 -0.55 3.23 0.63 0.18 -1.82 116.66 117.35 1pt3 n ARG 485 Ca -0.01 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1pt3 n ARG 485 Cb 0.46 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1pt3 n ARG 485 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1pt3 n ASP 486 N 0.05 -2.70 -2.61 6.15 10.43 -0.51 -4.92 116.55 122.44 1pt3 n ASP 486 Ca 0.11 0.00 -0.00 0.00 2.57 0.00 0.00 54.79 57.47 1pt3 n ASP 486 Cb 0.44 -2.21 0.00 0.00 1.84 0.00 0.00 41.12 41.19 1pt3 n ASP 486 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1pt3 n LYS 487 N 0.14 -1.22 -3.74 -1.24 3.00 -0.76 -4.79 118.16 109.56 1pt3 n LYS 487 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 58.31 58.11 1pt3 n LYS 487 Cb 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 35.03 35.07 1pt3 n LYS 487 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1pt3 s GLU 488 N -3.02 0.06 0.07 1.64 -6.30 -1.26 -3.15 118.70 106.74 1pt3 s GLU 488 Ca 0.00 0.27 0.09 0.00 -2.50 0.00 0.00 54.97 52.84 1pt3 s GLU 488 Cb -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 34.13 33.58 1pt3 s GLU 488 CO 0.00 -0.27 -0.24 -0.06 0.02 0.00 0.00 175.26 174.72 1pt3 s PHE 489 N 1.78 2.39 0.00 5.30 0.08 0.02 -4.99 117.98 122.57 1pt3 s PHE 489 Ca 0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.70 1pt3 s PHE 489 Cb -0.12 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1pt3 s PHE 489 CO -0.03 0.23 0.26 1.63 -0.10 0.00 0.00 175.22 177.21 1pt3 n LYS 490 N 1.44 0.00 -3.93 0.44 4.76 -1.26 -2.21 118.16 117.41 1pt3 n LYS 490 Ca -0.17 0.33 -0.25 0.00 -2.87 0.00 0.00 58.31 55.36 1pt3 n LYS 490 Cb 0.52 -0.99 -0.04 0.00 -1.84 0.00 0.00 35.03 32.68 1pt3 n LYS 490 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1pt3 n SER 491 N -1.50 2.93 0.10 4.39 3.41 -1.26 -2.52 113.62 119.17 1pt3 n SER 491 Ca 0.00 -2.70 -0.06 0.00 -0.26 0.00 0.00 58.87 55.85 1pt3 n SER 491 Cb 0.00 0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1pt3 n SER 491 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1pt3 h PHE 492 N 1.06 0.15 -0.53 7.33 3.04 -1.93 -2.47 116.94 123.59 1pt3 h PHE 492 Ca -0.32 -0.08 0.04 0.00 3.98 0.00 0.00 57.97 61.59 1pt3 h PHE 492 Cb 1.01 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.46 1pt3 h PHE 492 CO 0.00 0.85 0.29 -0.44 -2.02 0.00 0.00 178.31 177.00 1pt3 h ASP 493 N 0.06 0.45 -0.92 0.41 5.19 -1.99 0.12 116.42 119.74 1pt3 h ASP 493 Ca -0.02 0.02 0.16 0.00 -0.62 0.00 0.00 57.03 56.57 1pt3 h ASP 493 Cb 1.39 -0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.75 1pt3 h ASP 493 CO 0.11 0.31 0.59 -0.78 -3.12 0.00 0.00 179.24 176.35 1pt3 h ASP 494 N 0.57 0.64 0.63 6.45 -0.00 -1.84 -0.96 116.42 121.92 1pt3 h ASP 494 Ca 0.22 0.05 -0.03 0.00 -0.00 0.00 0.00 57.03 57.27 1pt3 h ASP 494 Cb 0.08 -0.07 0.01 0.00 -0.00 0.00 0.00 39.33 39.35 1pt3 h ASP 494 CO -0.13 0.29 -0.30 0.15 -0.00 0.00 0.00 179.24 179.25 1pt3 h PHE 495 N 0.66 -0.79 -0.85 0.28 3.04 -0.72 -2.62 116.94 115.94 1pt3 h PHE 495 Ca 0.48 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.54 1pt3 h PHE 495 Cb 0.83 0.26 -0.14 0.00 2.56 0.00 0.00 35.95 39.47 1pt3 h PHE 495 CO -0.00 -0.49 -0.39 -0.09 -2.02 0.00 0.00 178.31 175.31 1pt3 h ARG 496 N -1.23 -0.06 -0.64 1.11 2.43 0.03 0.32 114.38 116.34 1pt3 h ARG 496 Ca -0.09 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1pt3 h ARG 496 Cb 0.65 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 1pt3 h ARG 496 CO 0.14 -0.04 0.23 0.87 -1.51 0.00 0.00 179.97 179.66 1pt3 h LYS 497 N -0.06 0.38 -0.41 0.20 1.57 -1.25 -1.55 116.57 115.45 1pt3 h LYS 497 Ca 0.29 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1pt3 h LYS 497 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1pt3 h LYS 497 CO -0.88 0.25 -0.30 -0.22 -0.57 0.00 0.00 179.45 177.74 1pt3 h LYS 498 N 0.39 0.90 0.52 3.15 1.63 -0.30 -1.34 116.57 121.52 1pt3 h LYS 498 Ca 0.33 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1pt3 h LYS 498 Cb 0.45 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1pt3 h LYS 498 CO -0.35 1.07 -0.38 0.35 -3.45 0.00 0.00 179.45 176.69 1pt3 h PHE 499 N 0.76 -1.03 -0.48 1.91 3.57 0.17 0.45 116.94 122.30 1pt3 h PHE 499 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1pt3 h PHE 499 Cb 0.87 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1pt3 h PHE 499 CO 0.05 -0.56 0.22 -1.49 -2.23 0.00 0.00 178.31 174.30 1pt3 h TRP 500 N -0.88 0.65 -0.16 0.41 -0.00 -1.31 0.20 115.95 114.85 1pt3 h TRP 500 Ca -0.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1pt3 h TRP 500 Cb 0.74 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 1pt3 h TRP 500 CO -0.15 0.49 0.09 0.93 -0.00 0.00 0.00 178.44 179.79 1pt3 h GLU 501 N 0.67 0.23 -0.85 0.49 5.08 -0.51 -2.10 114.58 117.59 1pt3 h GLU 501 Ca 0.17 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1pt3 h GLU 501 Cb 0.08 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1pt3 h GLU 501 CO -0.02 0.25 0.55 0.93 -1.00 0.00 0.00 179.01 179.72 1pt3 h GLU 502 N 0.16 1.06 -0.82 2.33 4.39 0.77 -2.08 114.58 120.39 1pt3 h GLU 502 Ca 0.06 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1pt3 h GLU 502 Cb 0.09 -0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 1pt3 h GLU 502 CO -0.01 0.70 0.47 0.28 -1.16 0.00 0.00 179.01 179.29 1pt3 h VAL 503 N 1.09 0.91 0.00 3.13 2.07 -0.10 -0.59 116.25 122.77 1pt3 h VAL 503 Ca 0.33 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1pt3 h VAL 503 Cb -0.04 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1pt3 h VAL 503 CO -0.10 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.10 1pt3 n SER 504 N -4.74 0.32 -0.55 0.57 3.41 -0.81 -1.72 113.62 110.10 1pt3 n SER 504 Ca 0.13 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1pt3 n SER 504 Cb 0.28 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 63.78 1pt3 n SER 504 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pt3 n LYS 505 N -1.85 1.46 -3.29 4.33 5.02 -0.25 -4.79 118.16 118.80 1pt3 n LYS 505 Ca 0.04 -1.10 -0.44 0.00 -2.02 0.00 0.00 58.31 54.78 1pt3 n LYS 505 Cb 0.23 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1pt3 n LYS 505 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pt3 s ASP 506 N -2.29 6.18 0.20 4.39 -1.08 -0.70 -4.97 116.67 118.39 1pt3 s ASP 506 Ca 0.25 -1.25 -0.14 0.00 -0.52 0.00 0.00 52.55 50.89 1pt3 s ASP 506 Cb 0.19 -2.23 0.22 0.00 -1.46 0.00 0.00 42.92 39.65 1pt3 s ASP 506 CO 0.46 -0.78 1.32 -2.65 0.52 0.00 0.00 175.17 174.03 1pt3 n PRO 507 N 5.60 -0.19 0.24 4.34 -0.02 -1.26 -0.13 135.00 143.57 1pt3 n PRO 507 Ca -0.10 1.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.80 1pt3 n PRO 507 Cb 0.44 -1.94 0.48 0.00 -0.02 0.00 0.00 33.50 32.46 1pt3 n PRO 507 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pt3 h GLU 508 N 0.00 0.00 0.00 -0.52 4.39 -1.94 -2.78 114.58 113.73 1pt3 h GLU 508 Ca 0.31 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 1pt3 h GLU 508 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1pt3 h GLU 508 CO -0.85 0.15 -0.73 -0.07 -1.16 0.00 0.00 179.01 176.35 1pt3 h LEU 509 N 0.00 0.00 -2.47 1.33 3.38 -0.82 -3.34 115.31 113.40 1pt3 h LEU 509 Ca -0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1pt3 h LEU 509 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1pt3 h LEU 509 CO 0.02 1.28 0.17 0.77 0.09 0.00 0.00 178.44 180.77 1pt3 h SER 510 N -1.00 0.00 0.67 -0.43 4.64 -0.76 -0.03 113.55 116.64 1pt3 h SER 510 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1pt3 h SER 510 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1pt3 h SER 510 CO -0.12 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 175.95 1pt3 h LYS 511 N 0.00 0.00 -0.13 4.77 1.57 -1.61 -2.32 116.57 118.85 1pt3 h LYS 511 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pt3 h LYS 511 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pt3 h LYS 511 CO -0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1pt3 n GLN 512 N -2.69 1.88 -4.31 3.15 6.02 -0.02 -4.90 117.38 116.50 1pt3 n GLN 512 Ca 0.00 -1.30 -0.29 0.00 -0.01 0.00 0.00 57.00 55.41 1pt3 n GLN 512 Cb 0.22 -1.44 -0.11 0.00 1.02 0.00 0.00 30.24 29.92 1pt3 n GLN 512 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1pt3 s PHE 513 N -1.84 2.53 0.53 1.08 0.08 -0.88 -5.11 117.98 114.38 1pt3 s PHE 513 Ca 0.34 -0.26 -0.21 0.00 0.12 0.00 0.00 56.93 56.92 1pt3 s PHE 513 Cb 0.20 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 1pt3 s PHE 513 CO 0.30 0.42 1.20 -1.54 -0.10 0.00 0.00 175.22 175.50 1pt3 s SER 514 N -2.32 5.62 0.25 1.36 1.04 -1.26 -4.76 113.70 113.63 1pt3 s SER 514 Ca 0.19 2.38 -0.08 0.00 0.48 0.00 0.00 55.95 58.92 1pt3 s SER 514 Cb -0.10 -2.60 0.41 0.00 0.10 0.00 0.00 66.02 63.83 1pt3 s SER 514 CO 0.11 -1.30 1.62 -0.09 0.98 0.00 0.00 173.24 174.56 1pt3 h ARG 515 N 1.40 0.05 -0.59 4.02 1.12 -1.99 0.17 114.38 118.56 1pt3 h ARG 515 Ca -0.50 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.34 1pt3 h ARG 515 Cb 1.28 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.20 1pt3 h ARG 515 CO 0.57 0.03 0.25 -0.97 -3.11 0.00 0.00 179.97 176.74 1pt3 h ASN 516 N 0.05 0.80 -0.81 -3.80 -1.24 -1.99 -1.73 115.58 106.86 1pt3 h ASN 516 Ca 0.41 -0.16 0.02 0.00 0.71 0.00 0.00 56.30 57.28 1pt3 h ASN 516 Cb 0.69 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 1pt3 h ASN 516 CO -0.73 0.74 0.54 0.78 -1.29 0.00 0.00 177.43 177.47 1pt3 h ASN 517 N 0.81 0.90 -0.71 1.15 2.35 -1.09 -0.78 115.58 118.20 1pt3 h ASN 517 Ca 0.20 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1pt3 h ASN 517 Cb 0.18 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1pt3 h ASN 517 CO -0.02 0.63 0.16 0.78 -1.65 0.00 0.00 177.43 177.33 1pt3 h ASN 518 N 1.05 1.09 -0.01 5.81 4.21 -0.84 -1.09 115.58 125.80 1pt3 h ASN 518 Ca 0.31 -0.24 -0.03 0.00 1.21 0.00 0.00 56.30 57.55 1pt3 h ASN 518 Cb -0.03 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 36.87 1pt3 h ASN 518 CO -0.08 1.05 -0.07 0.44 -1.29 0.00 0.00 177.43 177.48 1pt3 h ASP 519 N 1.08 0.18 0.11 5.81 3.45 -0.32 -1.37 116.42 125.36 1pt3 h ASP 519 Ca 0.22 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 1pt3 h ASP 519 Cb 0.39 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 1pt3 h ASP 519 CO 0.01 0.28 -0.05 0.03 -1.57 0.00 0.00 179.24 177.93 1pt3 h ARG 520 N 0.19 -0.15 0.00 3.56 3.08 -0.52 -3.25 114.38 117.30 1pt3 h ARG 520 Ca 0.04 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1pt3 h ARG 520 Cb 0.25 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1pt3 h ARG 520 CO 0.01 0.29 -0.12 0.52 -1.07 0.00 0.00 179.97 179.61 1pt3 h MET 521 N -0.65 0.00 0.00 0.04 2.86 -0.87 -1.45 114.93 114.86 1pt3 h MET 521 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1pt3 h MET 521 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1pt3 h MET 521 CO 0.03 0.12 0.00 -0.22 1.06 0.00 0.00 176.91 177.89 1pt3 h LYS 522 N 0.00 0.00 -0.42 1.72 3.64 -1.29 -2.74 116.57 117.49 1pt3 h LYS 522 Ca -0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1pt3 h LYS 522 Cb 0.23 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 31.78 1pt3 h LYS 522 CO 0.02 0.00 -0.75 1.33 -2.27 0.00 0.00 179.45 177.78 1pt3 n VAL 523 N -3.08 2.16 -0.54 2.00 0.24 -0.65 -4.88 118.33 113.58 1pt3 n VAL 523 Ca -0.02 -3.58 0.00 0.00 -2.04 0.00 0.00 64.34 58.71 1pt3 n VAL 523 Cb 0.17 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 1pt3 n VAL 523 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pt3 n GLY 524 N -0.77 1.71 3.80 7.63 0.00 -1.04 -5.02 105.19 111.49 1pt3 n GLY 524 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 1pt3 n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pt3 s LYS 525 N -0.08 4.15 0.25 1.61 1.02 -0.64 -4.30 119.74 121.75 1pt3 s LYS 525 Ca 0.00 1.32 -0.24 0.00 0.02 0.00 0.00 55.97 57.07 1pt3 s LYS 525 Cb 0.00 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.88 1pt3 s LYS 525 CO 0.00 -0.12 0.83 0.00 -0.92 0.00 0.00 175.35 175.14 1pt3 s ALA 526 N -1.91 3.34 0.64 5.17 0.00 -1.26 -2.94 121.76 124.79 1pt3 s ALA 526 Ca 0.61 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 1pt3 s ALA 526 Cb -0.16 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1pt3 s ALA 526 CO 0.20 0.25 1.13 -2.14 0.00 0.00 0.00 175.76 175.21 1pt3 s PRO 527 N -1.80 2.82 0.34 0.00 0.02 -1.26 -4.69 135.00 130.44 1pt3 s PRO 527 Ca 0.44 1.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.81 1pt3 s PRO 527 Cb -0.19 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 1pt3 s PRO 527 CO 0.24 -1.25 0.79 0.15 -0.33 0.00 0.00 177.00 176.60 1pt3 s LYS 528 N -3.85 4.08 0.67 5.54 -0.14 -1.26 -0.94 119.74 123.83 1pt3 s LYS 528 Ca 0.70 0.80 0.03 0.00 -1.36 0.00 0.00 55.97 56.15 1pt3 s LYS 528 Cb -0.23 -2.39 0.11 0.00 -1.68 0.00 0.00 37.83 33.64 1pt3 s LYS 528 CO 0.38 0.12 0.92 0.95 -0.76 0.00 0.00 175.35 176.96 1pt3 s THR 529 N -2.01 2.13 0.59 2.17 -4.23 -0.84 -4.85 115.64 108.60 1pt3 s THR 529 Ca 0.56 -0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 60.14 1pt3 s THR 529 Cb -0.10 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1pt3 s THR 529 CO 0.17 0.00 1.07 -0.13 -0.54 0.00 0.00 174.62 175.18 1pt3 s ARG 530 N -4.96 3.29 0.28 3.99 0.52 -1.26 -4.89 118.95 115.92 1pt3 s ARG 530 Ca 0.65 1.27 0.02 0.00 -0.52 0.00 0.00 55.73 57.14 1pt3 s ARG 530 Cb -0.05 -2.03 0.65 0.00 0.52 0.00 0.00 34.95 34.04 1pt3 s ARG 530 CO 0.42 -0.84 1.72 1.15 0.02 0.00 0.00 175.30 177.77 1pt3 h THR 531 N 0.53 0.56 0.00 0.02 2.02 -1.98 0.19 112.91 114.24 1pt3 h THR 531 Ca -0.47 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1pt3 h THR 531 Cb 1.23 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1pt3 h THR 531 CO 0.57 0.09 -0.01 0.06 0.37 0.00 0.00 175.52 176.59 1pt3 h GLN 532 N 0.47 0.00 -0.29 6.66 3.07 -2.04 -2.97 115.11 120.01 1pt3 h GLN 532 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1pt3 h GLN 532 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1pt3 h GLN 532 CO -0.47 0.01 0.00 -0.25 0.09 0.00 0.00 178.83 178.21 1pt3 n ASP 533 N -3.12 2.61 -4.45 0.06 8.00 0.65 -4.94 116.55 115.37 1pt3 n ASP 533 Ca -0.00 -1.87 -0.28 0.00 0.71 0.00 0.00 54.79 53.35 1pt3 n ASP 533 Cb 0.26 -0.18 0.14 0.00 -0.02 0.00 0.00 41.12 41.32 1pt3 n ASP 533 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1pt3 s VAL 534 N -1.63 2.07 -0.37 2.53 -7.23 -1.12 -2.65 120.40 112.00 1pt3 s VAL 534 Ca 0.35 -0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.36 1pt3 s VAL 534 Cb 0.20 -2.89 0.15 0.00 0.56 0.00 0.00 36.38 34.40 1pt3 s VAL 534 CO 0.29 0.00 0.27 -0.55 -0.31 0.00 0.00 175.10 174.80 1pt3 s SER 535 N -4.77 2.31 1.87 4.85 0.15 -0.23 -4.38 113.70 113.50 1pt3 s SER 535 Ca 0.69 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1pt3 s SER 535 Cb -0.06 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1pt3 s SER 535 CO 0.49 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1pt3 n GLY 536 N 3.90 3.24 0.02 9.45 0.00 -1.26 -1.27 105.19 119.28 1pt3 n GLY 536 Ca 0.14 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1pt3 n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pt3 n LYS 537 N 13.74 0.05 -2.56 1.61 5.02 -1.26 -4.52 118.16 130.23 1pt3 n LYS 537 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 1pt3 n LYS 537 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 1pt3 n LYS 537 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pt3 s ARG 538 N -3.03 3.44 0.00 1.97 1.81 -0.39 -4.78 118.95 117.96 1pt3 s ARG 538 Ca 0.11 0.19 0.00 0.00 -1.72 0.00 0.00 55.73 54.32 1pt3 s ARG 538 Cb 0.15 -4.05 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 1pt3 s ARG 538 CO 0.47 -1.78 0.63 0.25 -0.68 0.00 0.00 175.30 174.19 1pt3 n THR 539 N 6.65 0.35 -3.09 0.02 -2.24 -1.26 -1.06 114.28 113.63 1pt3 n THR 539 Ca 0.08 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 1pt3 n THR 539 Cb 0.49 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1pt3 n THR 539 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1pt3 s SER 540 N -0.35 5.73 0.19 3.42 0.01 -1.26 -1.99 113.70 119.44 1pt3 s SER 540 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1pt3 s SER 540 Cb 0.00 -1.06 -0.08 0.00 0.21 0.00 0.00 66.02 65.09 1pt3 s SER 540 CO 0.00 -0.71 0.83 -0.36 0.41 0.00 0.00 173.24 173.41 1pt3 s PHE 541 N -2.41 3.93 0.16 2.43 0.08 -0.12 -4.28 117.98 117.77 1pt3 s PHE 541 Ca 0.51 1.72 0.10 0.00 0.12 0.00 0.00 56.93 59.38 1pt3 s PHE 541 Cb -0.10 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.47 1pt3 s PHE 541 CO 0.34 0.49 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.55 1pt3 s GLU 542 N -1.12 1.70 0.06 0.44 2.02 -0.15 -4.76 118.70 116.89 1pt3 s GLU 542 Ca 0.38 -1.34 -0.11 0.00 0.02 0.00 0.00 54.97 53.92 1pt3 s GLU 542 Cb -0.24 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 31.93 1pt3 s GLU 542 CO 0.28 0.44 0.39 -0.51 0.02 0.00 0.00 175.26 175.88 1pt3 s LEU 543 N -2.46 4.37 -0.01 1.80 1.43 -1.26 -1.04 118.68 121.50 1pt3 s LEU 543 Ca 0.20 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 1pt3 s LEU 543 Cb -0.09 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1pt3 s LEU 543 CO 0.11 0.21 -0.05 -2.28 0.23 0.00 0.00 176.35 174.56 1pt3 s HIS 544 N -1.33 0.56 -0.21 0.29 5.65 -0.04 -4.94 115.29 115.28 1pt3 s HIS 544 Ca 0.31 -0.11 -0.13 0.00 0.25 0.00 0.00 55.06 55.37 1pt3 s HIS 544 Cb -0.14 -0.41 -0.05 0.00 -1.18 0.00 0.00 32.58 30.80 1pt3 s HIS 544 CO 0.17 -0.05 0.27 -1.01 -0.65 0.00 0.00 174.74 173.46 1pt3 s HIS 545 N 0.16 3.36 0.08 3.88 3.76 -1.25 -0.76 115.29 124.52 1pt3 s HIS 545 Ca -0.02 0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 55.04 1pt3 s HIS 545 Cb -0.06 -2.37 -0.13 0.00 1.11 0.00 0.00 32.58 31.13 1pt3 s HIS 545 CO -0.00 0.07 1.44 1.49 -0.85 0.00 0.00 174.74 176.89 1pt3 h GLU 546 N 7.32 -0.67 -5.10 1.40 4.81 -1.43 -3.40 114.58 117.51 1pt3 h GLU 546 Ca -0.38 0.05 -0.63 0.00 -0.13 0.00 0.00 59.36 58.27 1pt3 h GLU 546 Cb 1.16 0.15 -0.18 0.00 0.63 0.00 0.00 28.75 30.52 1pt3 h GLU 546 CO 0.70 -0.45 -0.57 0.15 -0.73 0.00 0.00 179.01 178.10 1pt3 s LYS 547 N -5.23 3.87 1.19 1.92 3.01 -1.26 -5.10 119.74 118.14 1pt3 s LYS 547 Ca -0.14 -0.38 -0.17 0.00 -1.01 0.00 0.00 55.97 54.27 1pt3 s LYS 547 Cb 0.04 -3.34 0.27 0.00 -1.01 0.00 0.00 37.83 33.79 1pt3 s LYS 547 CO 0.48 0.03 0.61 -0.35 0.51 0.00 0.00 175.35 176.63 1pt3 n PRO 548 N 4.29 -2.82 0.07 -1.68 -0.04 -1.26 -4.18 135.00 129.39 1pt3 n PRO 548 Ca -0.16 -1.02 -0.11 0.00 -0.04 0.00 0.00 63.50 62.17 1pt3 n PRO 548 Cb 0.52 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 1pt3 n PRO 548 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1pt3 h ILE 549 N -3.17 1.59 0.00 0.52 1.08 -1.95 -0.49 117.51 115.10 1pt3 h ILE 549 Ca -0.28 -3.25 0.00 0.00 -0.39 0.00 0.00 64.86 60.94 1pt3 h ILE 549 Cb 0.93 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1pt3 h ILE 549 CO 0.17 0.93 0.00 -1.54 -0.69 0.00 0.00 178.15 177.01 1pt3 n SER 550 N -3.41 0.62 -1.45 1.72 3.41 -1.26 -1.38 113.62 111.87 1pt3 n SER 550 Ca -0.04 0.71 -0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1pt3 n SER 550 Cb 0.98 -0.82 0.21 0.00 -0.26 0.00 0.00 64.21 64.31 1pt3 n SER 550 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pt3 n GLN 551 N -2.25 2.16 -1.17 4.33 6.02 -1.17 -4.91 117.38 120.39 1pt3 n GLN 551 Ca 0.00 -3.11 -0.06 0.00 -0.01 0.00 0.00 57.00 53.83 1pt3 n GLN 551 Cb 0.13 -1.93 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 1pt3 n GLN 551 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pt3 n ASN 552 N -1.01 -4.54 -4.72 1.08 3.02 -0.48 -4.91 115.26 103.70 1pt3 n ASN 552 Ca 0.39 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.67 1pt3 n ASN 552 Cb 1.20 -2.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 1pt3 n ASN 552 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1pt3 s GLY 553 N -2.44 2.12 0.06 7.41 0.00 -0.20 -4.95 107.32 109.32 1pt3 s GLY 553 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 1pt3 s GLY 553 CO 0.00 2.26 1.87 -0.32 0.00 0.00 0.00 173.10 176.90 1pt3 s GLY 554 N 0.93 1.43 0.32 0.20 0.00 -1.26 -4.43 107.32 104.51 1pt3 s GLY 554 Ca 0.62 1.33 0.12 0.00 0.00 0.00 0.00 44.72 46.79 1pt3 s GLY 554 CO 0.32 3.27 1.70 -0.24 0.00 0.00 0.00 173.10 178.15 1pt3 h VAL 555 N 5.23 1.33 -0.30 1.40 3.04 -1.93 -2.97 116.25 122.05 1pt3 h VAL 555 Ca -0.47 -1.76 -0.17 0.00 -1.01 0.00 0.00 66.70 63.28 1pt3 h VAL 555 Cb 1.22 1.96 -0.11 0.00 -2.01 0.00 0.00 31.29 32.35 1pt3 h VAL 555 CO 0.94 0.50 -0.26 -1.22 -1.01 0.00 0.00 177.57 176.53 1pt3 n TYR 556 N -3.89 0.96 -3.17 3.17 4.01 -1.26 -4.91 117.16 112.07 1pt3 n TYR 556 Ca -0.01 -1.68 -0.46 0.00 -0.16 0.00 0.00 57.90 55.59 1pt3 n TYR 556 Cb 0.53 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1pt3 n TYR 556 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1pt3 s ASP 557 N -2.84 6.55 0.59 7.72 3.68 -1.12 -1.21 116.67 130.03 1pt3 s ASP 557 Ca 0.44 -2.15 0.30 0.00 2.13 0.00 0.00 52.55 53.26 1pt3 s ASP 557 Cb 0.40 -2.28 1.38 0.00 -1.45 0.00 0.00 42.92 40.97 1pt3 s ASP 557 CO -0.02 -0.85 1.76 0.24 0.13 0.00 0.00 175.17 176.43 1pt3 h MET 558 N 8.48 0.00 0.00 4.34 2.86 -0.89 2.38 114.93 132.10 1pt3 h MET 558 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pt3 h MET 558 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1pt3 h MET 558 CO 0.95 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.67 1pt3 n ASP 559 N -3.69 0.00 -0.89 1.22 9.92 -1.26 -2.37 116.55 119.49 1pt3 n ASP 559 Ca 0.14 0.07 0.08 0.00 -0.53 0.00 0.00 54.79 54.55 1pt3 n ASP 559 Cb 0.93 -0.34 0.21 0.00 -0.64 0.00 0.00 41.12 41.28 1pt3 n ASP 559 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1pt3 n ASN 560 N -1.34 3.28 -4.18 -2.24 5.15 0.80 -4.97 115.26 111.76 1pt3 n ASN 560 Ca 0.11 -1.99 -0.26 0.00 -0.60 0.00 0.00 54.58 51.84 1pt3 n ASN 560 Cb 0.23 -0.32 -0.16 0.00 -0.53 0.00 0.00 39.78 39.01 1pt3 n ASN 560 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pt3 s ILE 561 N -1.01 1.49 0.22 -1.44 1.01 -1.00 -0.98 121.20 119.50 1pt3 s ILE 561 Ca 0.32 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1pt3 s ILE 561 Cb 0.17 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1pt3 s ILE 561 CO 0.22 0.42 0.30 -0.94 0.00 0.00 0.00 174.94 174.94 1pt3 s SER 562 N -0.35 0.03 -0.21 3.58 1.04 0.06 -4.11 113.70 113.75 1pt3 s SER 562 Ca 0.05 -1.16 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 1pt3 s SER 562 Cb -0.08 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1pt3 s SER 562 CO -0.00 -0.99 0.07 -0.69 0.98 0.00 0.00 173.24 172.61 1pt3 s VAL 563 N -4.09 4.65 0.10 5.02 1.01 0.31 -0.86 120.40 126.53 1pt3 s VAL 563 Ca 0.31 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1pt3 s VAL 563 Cb 0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1pt3 s VAL 563 CO 0.11 0.41 -0.09 0.68 0.00 0.00 0.00 175.10 176.20 1pt3 s VAL 564 N 0.80 0.89 0.50 2.92 -7.23 -0.21 -0.49 120.40 117.59 1pt3 s VAL 564 Ca 0.04 -1.65 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 1pt3 s VAL 564 Cb -0.14 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 35.36 1pt3 s VAL 564 CO 0.02 -0.59 0.95 0.42 -0.31 0.00 0.00 175.10 175.59 1pt3 s THR 565 N -2.55 4.58 0.17 5.32 -4.23 -0.42 -0.98 115.64 117.55 1pt3 s THR 565 Ca 0.06 1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 61.52 1pt3 s THR 565 Cb -0.02 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.16 1pt3 s THR 565 CO -0.01 -0.68 1.74 -0.65 -0.54 0.00 0.00 174.62 174.48 1pt3 h PRO 566 N 0.92 0.27 -0.52 3.99 0.11 -1.74 0.30 132.00 135.32 1pt3 h PRO 566 Ca -0.47 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1pt3 h PRO 566 Cb 1.19 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.15 1pt3 h PRO 566 CO 0.62 0.18 0.02 -0.22 -0.21 0.00 0.00 178.00 178.38 1pt3 h LYS 567 N 0.28 0.13 -0.31 1.05 3.64 -1.71 -0.93 116.57 118.71 1pt3 h LYS 567 Ca 0.21 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1pt3 h LYS 567 Cb 0.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1pt3 h LYS 567 CO -0.25 0.09 -0.26 -0.09 -2.27 0.00 0.00 179.45 176.67 1pt3 h ARG 568 N 0.13 0.73 -0.72 1.90 9.65 -1.66 -3.06 114.38 121.35 1pt3 h ARG 568 Ca 0.27 -0.36 0.11 0.00 -1.10 0.00 0.00 59.98 58.89 1pt3 h ARG 568 Cb 0.40 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.91 1pt3 h ARG 568 CO -0.43 0.98 0.33 1.25 2.80 0.00 0.00 179.97 184.91 1pt3 h HIS 569 N 0.49 0.59 -0.86 2.20 2.76 -0.22 0.95 115.15 121.05 1pt3 h HIS 569 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1pt3 h HIS 569 Cb 0.82 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 1pt3 h HIS 569 CO 0.07 0.17 0.50 0.82 -1.30 0.00 0.00 177.93 178.19 1pt3 h ILE 570 N 0.55 1.24 -0.22 6.26 5.03 -1.10 -2.00 117.51 127.27 1pt3 h ILE 570 Ca 0.37 -0.56 -0.04 0.00 -0.12 0.00 0.00 64.86 64.51 1pt3 h ILE 570 Cb 0.44 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.28 1pt3 h ILE 570 CO -0.31 0.26 -0.01 0.44 -0.68 0.00 0.00 178.15 177.85 1pt3 h ASP 571 N 1.19 0.39 -0.85 1.72 3.45 -1.04 -2.08 116.42 119.20 1pt3 h ASP 571 Ca 0.31 -0.33 0.15 0.00 0.43 0.00 0.00 57.03 57.59 1pt3 h ASP 571 Cb -0.02 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 38.59 1pt3 h ASP 571 CO -0.05 0.62 0.55 0.40 -1.57 0.00 0.00 179.24 179.19 1pt3 h ILE 572 N 0.15 0.81 -0.01 0.35 2.04 -0.52 0.22 117.51 120.54 1pt3 h ILE 572 Ca 0.06 -0.20 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1pt3 h ILE 572 Cb 0.43 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1pt3 h ILE 572 CO 0.01 0.10 -0.86 0.45 0.00 0.00 0.00 178.15 177.86 1pt3 h HIS 573 N 0.57 0.40 0.00 1.37 3.86 -1.21 -3.05 115.15 117.09 1pt3 h HIS 573 Ca 0.42 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1pt3 h HIS 573 Cb 0.80 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1pt3 h HIS 573 CO -0.00 1.01 0.00 0.54 0.86 0.00 0.00 177.93 180.34 1pt3 n ARG 574 N -3.72 0.01 0.00 2.45 1.74 -0.04 -4.90 116.66 112.20 1pt3 n ARG 574 Ca -0.04 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1pt3 n ARG 574 Cb 0.79 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1pt3 n ARG 574 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pt3 n GLY 575 N 0.59 2.75 0.00 -0.13 0.00 -0.55 -5.08 105.19 102.76 1pt3 n GLY 575 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 1pt3 n GLY 575 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60