#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oku h VAL 444 N 0.00 1.17 -0.60 1.69 2.07 -1.98 0.13 116.25 118.74 2oku h VAL 444 Ca 0.00 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.11 2oku h VAL 444 Cb 0.00 1.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 2oku h VAL 444 CO 0.00 0.18 -0.07 1.62 0.02 0.00 0.00 177.57 179.31 2oku h VAL 445 N 0.22 0.45 -0.22 2.57 3.04 -1.92 -2.05 116.25 118.35 2oku h VAL 445 Ca 0.08 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.74 2oku h VAL 445 Cb 0.19 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 2oku h VAL 445 CO -0.01 0.01 0.09 0.00 -1.01 0.00 0.00 177.57 176.65 2oku h ALA 446 N 1.58 0.28 0.00 3.17 0.00 -1.96 -2.20 119.26 120.12 2oku h ALA 446 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2oku h ALA 446 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2oku h ALA 446 CO -0.57 -0.13 0.04 0.00 0.00 0.00 0.00 179.25 178.59 2oku h ALA 447 N 0.93 1.04 -0.05 0.00 0.00 -0.35 -2.50 119.26 118.33 2oku h ALA 447 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oku h ALA 447 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2oku h ALA 447 CO -0.01 -0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.65 2oku n ILE 448 N -3.06 1.85 -0.21 0.00 -5.35 -0.80 -4.77 119.36 107.02 2oku n ILE 448 Ca -0.03 -2.07 0.11 0.00 -0.27 0.00 0.00 62.75 60.50 2oku n ILE 448 Cb 0.10 -0.16 0.41 0.00 -1.74 0.00 0.00 39.64 38.26 2oku n ILE 448 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2oku h ARG 449 N 0.31 0.61 0.00 6.28 2.43 -0.94 0.34 114.38 123.40 2oku h ARG 449 Ca 0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2oku h ARG 449 Cb 1.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2oku h ARG 449 CO 0.03 0.40 -0.46 1.12 -1.51 0.00 0.00 179.97 179.55 2oku h HIS 450 N 0.62 0.00 0.05 2.20 2.07 -1.86 -0.77 115.15 117.47 2oku h HIS 450 Ca 0.38 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.90 2oku h HIS 450 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2oku h HIS 450 CO -0.00 0.46 -0.03 0.82 -3.07 0.00 0.00 177.93 176.12 2oku h ILE 451 N 0.00 1.26 -0.40 6.12 1.08 -1.32 -0.79 117.51 123.46 2oku h ILE 451 Ca -0.00 -1.13 -0.06 0.00 -0.39 0.00 0.00 64.86 63.28 2oku h ILE 451 Cb 0.82 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 2oku h ILE 451 CO 0.06 0.28 -0.00 0.71 -0.69 0.00 0.00 178.15 178.51 2oku h THR 452 N -0.58 1.22 -0.02 -0.27 1.35 -1.29 -2.62 112.91 110.68 2oku h THR 452 Ca -0.01 -0.89 -0.15 0.00 -0.55 0.00 0.00 66.41 64.81 2oku h THR 452 Cb 0.51 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 2oku h THR 452 CO 0.01 0.31 -0.69 0.74 -0.25 0.00 0.00 175.52 175.64 2oku h THR 453 N 0.61 1.45 -0.29 6.82 2.02 -1.18 -3.48 112.91 118.86 2oku h THR 453 Ca 0.13 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2oku h THR 453 Cb 0.38 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2oku h THR 453 CO 0.01 0.65 0.00 0.61 0.37 0.00 0.00 175.52 177.17 2oku n GLY 454 N 0.45 1.05 0.32 2.16 0.00 -0.42 -5.00 105.19 103.74 2oku n GLY 454 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2oku n GLY 454 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2oku h THR 455 N 0.00 1.22 -0.09 2.61 1.35 -1.50 -1.21 112.91 115.29 2oku h THR 455 Ca 0.00 -0.68 -0.17 0.00 -0.55 0.00 0.00 66.41 65.02 2oku h THR 455 Cb 0.33 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2oku h THR 455 CO 0.00 0.27 -0.67 1.88 -0.25 0.00 0.00 175.52 176.75 2oku h TYR 456 N 0.88 0.47 -0.71 4.73 0.05 -1.93 -1.97 116.97 118.50 2oku h TYR 456 Ca 0.21 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2oku h TYR 456 Cb 0.17 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 2oku h TYR 456 CO 0.01 0.92 0.44 0.82 -1.05 0.00 0.00 178.16 179.30 2oku h ILE 457 N 0.25 1.10 -0.41 -2.88 1.08 -1.85 0.44 117.51 115.24 2oku h ILE 457 Ca -0.02 -0.30 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2oku h ILE 457 Cb 1.21 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2oku h ILE 457 CO 0.11 0.16 0.04 0.00 -0.69 0.00 0.00 178.15 177.77 2oku h ALA 458 N 1.30 0.54 -0.59 1.87 0.00 -1.10 -1.40 119.26 119.89 2oku h ALA 458 Ca 0.28 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2oku h ALA 458 Cb 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2oku h ALA 458 CO -0.11 0.28 0.22 -0.09 0.00 0.00 0.00 179.25 179.56 2oku h ARG 459 N 0.53 0.89 -0.20 0.00 2.43 -1.06 0.19 114.38 117.16 2oku h ARG 459 Ca 0.12 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2oku h ARG 459 Cb 0.41 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2oku h ARG 459 CO 0.01 0.77 -0.07 0.82 -1.51 0.00 0.00 179.97 179.99 2oku h ILE 460 N 0.81 0.76 -0.10 1.20 2.04 -0.79 0.14 117.51 121.57 2oku h ILE 460 Ca 0.19 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.84 2oku h ILE 460 Cb 0.23 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2oku h ILE 460 CO -0.01 0.00 -0.80 0.03 0.00 0.00 0.00 178.15 177.37 2oku h ARG 461 N -0.03 0.61 0.00 2.37 3.08 -0.86 0.45 114.38 120.00 2oku h ARG 461 Ca 0.10 -0.52 -0.21 0.00 0.07 0.00 0.00 59.98 59.42 2oku h ARG 461 Cb 0.18 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2oku h ARG 461 CO -0.22 1.14 -1.35 0.93 -1.07 0.00 0.00 179.97 179.40 2oku h GLU 462 N 0.41 0.00 0.00 0.04 5.08 -0.56 -3.40 114.58 116.14 2oku h GLU 462 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2oku h GLU 462 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2oku h GLU 462 CO 0.15 0.48 -0.07 -1.91 -1.00 0.00 0.00 179.01 176.66 2oku n GLU 463 N -3.04 0.04 -0.21 2.33 2.13 0.44 -4.68 120.64 117.65 2oku n GLU 463 Ca -0.09 0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.65 2oku n GLU 463 Cb 0.91 -0.38 0.02 0.00 0.27 0.00 0.00 31.44 32.26 2oku n GLU 463 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2oku h TYR 464 N -0.07 1.04 0.00 4.31 0.05 -1.09 -1.66 116.97 119.54 2oku h TYR 464 Ca 0.00 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.63 2oku h TYR 464 Cb 0.07 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.53 2oku h TYR 464 CO -0.03 0.91 0.00 1.04 -1.05 0.00 0.00 178.16 179.03 2oku n GLN 465 N -4.30 0.00 0.00 4.88 1.13 0.15 -2.30 117.38 116.94 2oku n GLN 465 Ca 0.03 0.22 0.13 0.00 -1.94 0.00 0.00 57.00 55.44 2oku n GLN 465 Cb 0.28 -1.50 0.43 0.00 0.11 0.00 0.00 30.24 29.56 2oku n GLN 465 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2oku n GLN 466 N -1.51 1.16 -2.00 -1.09 1.13 -0.63 -4.90 117.38 109.54 2oku n GLN 466 Ca 0.04 -0.68 -0.42 0.00 -1.94 0.00 0.00 57.00 54.00 2oku n GLN 466 Cb 0.19 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 2oku n GLN 466 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2oku s THR 467 N -2.31 2.86 -0.19 5.09 2.01 -0.97 -4.96 115.64 117.16 2oku s THR 467 Ca 0.29 0.59 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 2oku s THR 467 Cb 0.20 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 2oku s THR 467 CO 0.45 0.04 1.11 -0.70 -0.69 0.00 0.00 174.62 174.83 2oku s GLU 468 N 1.33 4.27 0.24 4.92 2.12 -1.26 -5.03 118.70 125.30 2oku s GLU 468 Ca 0.69 1.47 0.11 0.00 0.36 0.00 0.00 54.97 57.60 2oku s GLU 468 Cb -0.41 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 2oku s GLU 468 CO 0.31 -0.62 -0.20 0.14 -0.54 0.00 0.00 175.26 174.35 2oku s VAL 469 N 3.16 2.32 0.73 3.70 -7.23 -1.26 -5.12 120.40 116.69 2oku s VAL 469 Ca 0.48 -2.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2oku s VAL 469 Cb -0.18 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2oku s VAL 469 CO 0.10 -0.35 1.08 -0.54 -0.31 0.00 0.00 175.10 175.08 2oku s LYS 470 N -3.28 2.57 0.43 4.82 1.02 -1.26 -4.83 119.74 119.21 2oku s LYS 470 Ca 0.26 1.13 0.20 0.00 0.02 0.00 0.00 55.97 57.57 2oku s LYS 470 Cb -0.05 -1.94 1.14 0.00 -0.52 0.00 0.00 37.83 36.46 2oku s LYS 470 CO 0.12 -1.39 1.83 -1.35 -0.92 0.00 0.00 175.35 173.64 2oku h PRO 471 N -0.81 0.35 0.00 -1.68 0.11 -2.00 -1.18 132.00 126.79 2oku h PRO 471 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2oku h PRO 471 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2oku h PRO 471 CO 0.54 0.23 -0.07 1.05 -0.21 0.00 0.00 178.00 179.54 2oku h GLU 472 N 0.36 0.00 -0.01 1.05 4.11 -2.05 -2.30 114.58 115.74 2oku h GLU 472 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 2oku h GLU 472 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2oku h GLU 472 CO -0.19 0.07 -0.70 -0.11 0.07 0.00 0.00 179.01 178.15 2oku n LEU 473 N -3.77 1.27 -0.23 3.06 7.94 -0.47 -4.55 117.00 120.24 2oku n LEU 473 Ca -0.02 -0.60 -0.04 0.00 -1.11 0.00 0.00 56.01 54.24 2oku n LEU 473 Cb 0.17 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.19 2oku n LEU 473 CO 0.29 0.27 1.12 -0.61 -1.11 0.00 0.00 177.39 177.36 2oku h GLN 474 N 0.85 0.77 -1.66 1.96 5.75 -1.12 -1.08 115.11 120.58 2oku h GLN 474 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2oku h GLN 474 Cb 0.53 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.91 2oku h GLN 474 CO 0.00 0.51 0.00 -2.30 -2.65 0.00 0.00 178.83 174.39 2oku n PRO 475 N -4.70 0.00 0.00 -2.39 -0.02 -1.26 -1.42 135.00 125.21 2oku n PRO 475 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2oku n PRO 475 Cb 0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2oku n PRO 475 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2oku n LYS 477 N 0.90 0.00 -0.16 -0.52 4.81 -0.41 -0.85 118.16 121.93 2oku n LYS 477 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2oku n LYS 477 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 2oku n LYS 477 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2oku h GLU 478 N 0.00 0.99 -0.78 1.64 5.08 -1.52 -1.75 114.58 118.24 2oku h GLU 478 Ca 0.00 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2oku h GLU 478 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2oku h GLU 478 CO 0.00 1.09 0.38 0.00 -1.00 0.00 0.00 179.01 179.48 2oku h ALA 479 N 0.90 1.01 -0.39 3.43 0.00 -1.25 -2.20 119.26 120.75 2oku h ALA 479 Ca 0.11 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2oku h ALA 479 Cb 0.78 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2oku h ALA 479 CO 0.06 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.77 2oku h LEU 480 N 1.11 0.63 -0.54 0.00 3.38 -1.78 -2.61 115.31 115.49 2oku h LEU 480 Ca 0.27 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2oku h LEU 480 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2oku h LEU 480 CO -0.03 0.73 0.32 0.00 0.09 0.00 0.00 178.44 179.55 2oku h ALA 481 N 1.34 0.69 0.00 1.53 0.00 -0.98 -1.09 119.26 120.75 2oku h ALA 481 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2oku h ALA 481 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2oku h ALA 481 CO 0.02 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.99 2oku n ARG 482 N -4.65 0.11 0.00 0.00 1.74 -0.86 -1.36 116.66 111.64 2oku n ARG 482 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2oku n ARG 482 Cb 0.06 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2oku n ARG 482 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2oku n THR 484 N 0.88 0.00 -0.36 0.55 -1.04 -0.42 -0.99 114.28 112.91 2oku n THR 484 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2oku n THR 484 Cb 0.05 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.71 2oku n THR 484 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2oku h ASP 485 N 0.00 1.03 -0.54 8.00 3.32 -1.49 -1.62 116.42 125.12 2oku h ASP 485 Ca 0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2oku h ASP 485 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2oku h ASP 485 CO 0.00 0.69 0.27 -0.09 -1.72 0.00 0.00 179.24 178.39 2oku h ARG 486 N 1.19 0.77 -0.12 3.56 9.65 -1.33 -0.17 114.38 127.93 2oku h ARG 486 Ca 0.40 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 2oku h ARG 486 Cb 0.06 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2oku h ARG 486 CO -0.14 0.62 0.08 0.00 2.80 0.00 0.00 179.97 183.32 2oku h ALA 487 N 1.11 0.16 -0.55 2.80 0.00 -1.73 -0.95 119.26 120.10 2oku h ALA 487 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2oku h ALA 487 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2oku h ALA 487 CO -0.03 -0.35 0.33 1.49 0.00 0.00 0.00 179.25 180.69 2oku h GLU 488 N 0.16 0.63 -0.63 0.00 4.81 -1.14 -1.42 114.58 116.98 2oku h GLU 488 Ca 0.05 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2oku h GLU 488 Cb -0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2oku h GLU 488 CO -0.01 0.42 0.14 0.00 -0.73 0.00 0.00 179.01 178.83 2oku h ALA 489 N 1.24 0.83 -0.50 2.92 0.00 -0.84 -1.53 119.26 121.39 2oku h ALA 489 Ca 0.22 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2oku h ALA 489 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2oku h ALA 489 CO -0.10 0.55 -0.19 1.25 0.00 0.00 0.00 179.25 180.76 2oku h LEU 490 N 0.93 1.03 -0.36 0.00 5.85 -0.88 -0.00 115.31 121.88 2oku h LEU 490 Ca 0.20 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2oku h LEU 490 Cb 0.37 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2oku h LEU 490 CO 0.00 1.18 0.16 0.40 -0.34 0.00 0.00 178.44 179.85 2oku h ILE 491 N 0.87 0.95 -0.68 4.05 2.04 -1.11 -2.27 117.51 121.37 2oku h ILE 491 Ca 0.12 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2oku h ILE 491 Cb 0.77 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2oku h ILE 491 CO 0.06 0.06 0.43 0.00 0.00 0.00 0.00 178.15 178.71 2oku h ALA 492 N 1.20 0.87 -0.79 1.87 0.00 -1.01 0.36 119.26 121.76 2oku h ALA 492 Ca 0.16 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2oku h ALA 492 Cb 0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 2oku h ALA 492 CO -0.13 0.22 0.37 0.35 0.00 0.00 0.00 179.25 180.07 2oku h PHE 493 N 0.86 0.64 0.02 0.00 3.57 -0.59 -0.47 116.94 120.97 2oku h PHE 493 Ca 0.26 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2oku h PHE 493 Cb -0.03 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2oku h PHE 493 CO -0.04 0.13 -0.01 0.28 -2.23 0.00 0.00 178.31 176.45 2oku h VAL 494 N 0.54 1.40 -0.48 1.41 2.07 -0.95 -3.35 116.25 116.89 2oku h VAL 494 Ca 0.43 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.02 2oku h VAL 494 Cb 0.61 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2oku h VAL 494 CO -0.37 0.45 0.14 0.71 0.02 0.00 0.00 177.57 178.52 2oku h THR 495 N -0.93 1.20 0.00 2.57 1.35 -0.86 -2.37 112.91 113.87 2oku h THR 495 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2oku h THR 495 Cb 0.75 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2oku h THR 495 CO 0.00 0.25 0.00 -0.62 -0.25 0.00 0.00 175.52 174.91 2oku n GLU 496 N -4.32 0.15 0.09 4.72 1.02 -0.19 -1.50 120.64 120.60 2oku n GLU 496 Ca 0.03 0.38 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 2oku n GLU 496 Cb 0.19 -1.78 0.45 0.00 -0.02 0.00 0.00 31.44 30.28 2oku n GLU 496 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2oku n GLN 497 N -2.05 0.15 -3.91 3.49 6.02 -0.89 -4.92 117.38 115.26 2oku n GLN 497 Ca 0.02 0.31 -0.26 0.00 -0.01 0.00 0.00 57.00 57.07 2oku n GLN 497 Cb 0.21 -1.75 -0.00 0.00 1.02 0.00 0.00 30.24 29.72 2oku n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2oku n LYS 498 N -2.02 -3.94 -3.88 -1.09 5.02 -0.56 -4.94 118.16 106.75 2oku n LYS 498 Ca 0.03 0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 56.50 2oku n LYS 498 Cb 0.26 -4.86 -0.15 0.00 -0.02 0.00 0.00 35.03 30.26 2oku n LYS 498 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2oku s ASP 499 N -4.14 4.22 0.25 4.39 -1.08 -1.26 -5.00 116.67 114.05 2oku s ASP 499 Ca 0.16 -1.70 -0.05 0.00 -0.52 0.00 0.00 52.55 50.44 2oku s ASP 499 Cb -0.08 -1.19 0.29 0.00 -1.46 0.00 0.00 42.92 40.48 2oku s ASP 499 CO 0.87 -0.36 1.84 -0.61 0.52 0.00 0.00 175.17 177.42 2oku h GLN 500 N 7.90 1.08 -0.58 4.34 5.75 -1.97 -1.41 115.11 130.22 2oku h GLN 500 Ca -0.11 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 2oku h GLN 500 Cb 1.03 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.36 2oku h GLN 500 CO 0.47 0.85 0.33 0.93 -2.65 0.00 0.00 178.83 178.76 2oku h GLU 501 N 1.06 0.80 -0.42 1.69 4.39 -1.99 -1.00 114.58 119.12 2oku h GLU 501 Ca 0.25 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2oku h GLU 501 Cb 0.15 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2oku h GLU 501 CO -0.03 0.60 0.25 1.25 -1.16 0.00 0.00 179.01 179.91 2oku h LEU 502 N 0.78 0.50 -0.44 1.33 5.85 -1.87 -0.92 115.31 120.55 2oku h LEU 502 Ca 0.20 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2oku h LEU 502 Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2oku h LEU 502 CO -0.04 0.42 0.25 0.25 -0.34 0.00 0.00 178.44 178.98 2oku h LEU 503 N 0.55 0.54 -0.87 2.25 5.85 -1.00 -0.38 115.31 122.25 2oku h LEU 503 Ca 0.15 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2oku h LEU 503 Cb 0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2oku h LEU 503 CO -0.03 0.47 0.56 0.44 -0.34 0.00 0.00 178.44 179.54 2oku h ASP 504 N 0.57 1.01 -0.64 1.25 3.32 -1.02 0.12 116.42 121.04 2oku h ASP 504 Ca 0.15 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 2oku h ASP 504 Cb 0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2oku h ASP 504 CO -0.03 0.74 0.06 0.15 -1.72 0.00 0.00 179.24 178.45 2oku h PHE 505 N 1.18 1.16 -0.01 4.55 3.57 -0.63 -3.14 116.94 123.62 2oku h PHE 505 Ca 0.32 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2oku h PHE 505 Cb -0.12 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.31 2oku h PHE 505 CO -0.01 1.00 -0.18 1.04 -2.23 0.00 0.00 178.31 177.93 2oku n GLN 506 N -4.21 1.19 -0.08 1.11 1.13 -0.20 -4.57 117.38 111.75 2oku n GLN 506 Ca 0.04 -0.75 -0.07 0.00 -1.94 0.00 0.00 57.00 54.28 2oku n GLN 506 Cb 0.32 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.17 2oku n GLN 506 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oku h ALA 507 N 3.95 -0.06 -0.67 -1.58 0.00 -0.92 -1.22 119.26 118.76 2oku h ALA 507 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2oku h ALA 507 Cb 0.55 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2oku h ALA 507 CO 0.00 -0.64 0.31 -0.09 0.00 0.00 0.00 179.25 178.83 2oku h ARG 508 N -0.21 0.95 -0.47 0.00 2.43 -1.82 -1.03 114.38 114.23 2oku h ARG 508 Ca 0.16 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2oku h ARG 508 Cb 0.45 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2oku h ARG 508 CO -0.43 0.74 0.04 0.00 -1.51 0.00 0.00 179.97 178.81 2oku h ARG 509 N 0.94 0.74 -0.37 0.20 3.08 -1.65 -0.35 114.38 116.97 2oku h ARG 509 Ca 0.23 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 2oku h ARG 509 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2oku h ARG 509 CO -0.03 0.73 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.19 2oku h LEU 510 N 0.71 0.89 0.09 3.04 3.38 -0.65 -2.92 115.31 119.85 2oku h LEU 510 Ca 0.15 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2oku h LEU 510 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2oku h LEU 510 CO 0.01 1.14 -0.16 0.58 0.09 0.00 0.00 178.44 180.11 2oku h VAL 511 N 0.70 0.63 0.00 1.22 2.07 -0.95 -2.18 116.25 117.75 2oku h VAL 511 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2oku h VAL 511 Cb 0.90 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2oku h VAL 511 CO 0.08 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 2oku n GLU 512 N -5.29 0.00 0.00 1.57 1.02 -0.16 -0.55 120.64 117.23 2oku n GLU 512 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2oku n GLU 512 Cb 0.20 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2oku n GLU 512 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2oku n THR 514 N 0.80 0.00 -0.28 2.62 -1.04 -0.82 -1.51 114.28 114.04 2oku n THR 514 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2oku n THR 514 Cb 0.00 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 68.70 2oku n THR 514 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oku h ALA 515 N 0.00 1.16 -0.62 2.41 0.00 -1.09 -1.14 119.26 119.97 2oku h ALA 515 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2oku h ALA 515 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2oku h ALA 515 CO 0.00 -0.10 0.38 0.45 0.00 0.00 0.00 179.25 179.98 2oku h HIS 516 N 0.59 0.70 -0.27 0.00 3.86 -1.54 0.29 115.15 118.77 2oku h HIS 516 Ca 0.42 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.62 2oku h HIS 516 Cb 0.57 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2oku h HIS 516 CO -0.11 0.39 0.03 0.00 0.86 0.00 0.00 177.93 179.10 2oku h ALA 517 N 1.28 0.37 0.24 2.45 0.00 -1.67 -1.95 119.26 119.98 2oku h ALA 517 Ca 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2oku h ALA 517 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2oku h ALA 517 CO -0.12 0.07 -0.12 0.28 0.00 0.00 0.00 179.25 179.37 2oku h VAL 518 N 0.27 0.80 -0.70 0.00 2.07 -0.90 -2.68 116.25 115.10 2oku h VAL 518 Ca 0.08 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2oku h VAL 518 Cb 0.37 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2oku h VAL 518 CO 0.01 0.05 0.36 -0.26 0.02 0.00 0.00 177.57 177.75 2oku h PHE 519 N -0.44 0.65 -0.93 1.57 -1.00 -0.50 -1.07 116.94 115.22 2oku h PHE 519 Ca -0.03 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.79 2oku h PHE 519 Cb 0.33 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.66 2oku h PHE 519 CO -0.03 0.25 0.61 0.78 -1.61 0.00 0.00 178.31 178.32 2oku h GLY 520 N 0.62 1.33 1.03 -1.45 0.00 -1.28 -1.22 103.07 102.12 2oku h GLY 520 Ca 0.34 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 2oku h GLY 520 CO -0.25 0.45 0.21 0.45 0.00 0.00 0.00 176.54 177.40 2oku h HIS 521 N 1.23 1.09 -0.86 5.60 3.86 -0.88 -2.91 115.15 122.27 2oku h HIS 521 Ca 0.35 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2oku h HIS 521 Cb -0.09 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.03 2oku h HIS 521 CO -0.01 0.88 0.52 -0.07 0.86 0.00 0.00 177.93 180.11 2oku h LEU 522 N 0.99 1.04 -2.47 2.43 3.38 -0.31 -0.75 115.31 119.62 2oku h LEU 522 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2oku h LEU 522 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2oku h LEU 522 CO -0.01 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.50 2oku n LEU 523 N -4.36 2.46 0.00 1.67 4.77 -0.63 -1.79 117.00 119.12 2oku n LEU 523 Ca 0.09 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2oku n LEU 523 Cb 0.06 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2oku n LEU 523 CO 0.38 0.44 0.00 0.18 -1.33 0.00 0.00 177.39 177.05 2oku n LEU 525 N 1.03 0.00 -0.19 2.23 4.77 -0.29 -1.27 117.00 123.27 2oku n LEU 525 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2oku n LEU 525 Cb 0.32 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2oku n LEU 525 CO 0.00 0.00 1.05 0.00 -1.33 0.00 0.00 177.39 177.11 2oku h ALA 526 N 0.00 0.70 -0.00 -1.18 0.00 -1.62 -1.97 119.26 115.19 2oku h ALA 526 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2oku h ALA 526 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2oku h ALA 526 CO 0.00 0.21 -0.47 0.00 0.00 0.00 0.00 179.25 178.98 2oku h ALA 527 N 1.14 1.22 -0.58 0.00 0.00 -1.37 -1.02 119.26 118.65 2oku h ALA 527 Ca 0.19 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2oku h ALA 527 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2oku h ALA 527 CO -0.03 0.59 -0.02 -0.97 0.00 0.00 0.00 179.25 178.82 2oku h ASN 528 N 0.00 1.00 0.22 0.00 -1.24 -1.76 -2.66 115.58 111.13 2oku h ASN 528 Ca -0.00 -0.28 -0.15 0.00 0.71 0.00 0.00 56.30 56.58 2oku h ASN 528 Cb 0.83 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 2oku h ASN 528 CO 0.06 1.06 -0.55 0.44 -1.29 0.00 0.00 177.43 177.15 2oku h ASP 529 N 0.93 0.40 -2.48 1.15 3.32 -1.07 -3.42 116.42 115.25 2oku h ASP 529 Ca 0.16 -0.21 -0.37 0.00 0.02 0.00 0.00 57.03 56.63 2oku h ASP 529 Cb 0.56 -0.11 -0.36 0.00 0.22 0.00 0.00 39.33 39.64 2oku h ASP 529 CO 0.03 0.87 -0.66 -0.62 -1.72 0.00 0.00 179.24 177.14 2oku s ASP 530 N -6.90 1.92 0.33 6.45 -1.08 -0.41 -5.02 116.67 111.95 2oku s ASP 530 Ca -0.05 -0.61 0.24 0.00 -0.52 0.00 0.00 52.55 51.61 2oku s ASP 530 Cb 0.12 0.26 1.19 0.00 -1.46 0.00 0.00 42.92 43.03 2oku s ASP 530 CO 0.81 -0.37 1.73 -0.78 0.52 0.00 0.00 175.17 177.08 2oku h ASP 531 N 8.32 0.00 -0.56 -0.34 3.58 -1.73 -1.23 116.42 124.46 2oku h ASP 531 Ca -0.16 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.45 2oku h ASP 531 Cb 1.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2oku h ASP 531 CO 0.33 0.00 0.43 0.28 -2.88 0.00 0.00 179.24 177.39 2oku h SER 532 N 0.00 0.00 0.02 2.28 0.02 -1.95 -1.22 113.55 112.70 2oku h SER 532 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oku h SER 532 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2oku h SER 532 CO 0.00 0.00 -0.03 0.49 -1.14 0.00 0.00 176.83 176.15 2oku n PHE 533 N -4.23 0.00 -0.04 3.45 3.72 -0.46 -4.45 117.46 115.44 2oku n PHE 533 Ca 0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.40 2oku n PHE 533 Cb 0.65 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.14 2oku n PHE 533 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2oku h ARG 534 N 2.11 0.26 -0.50 -1.08 2.43 -1.38 -0.18 114.38 116.05 2oku h ARG 534 Ca 0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2oku h ARG 534 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2oku h ARG 534 CO 0.00 0.18 0.30 0.37 -1.51 0.00 0.00 179.97 179.32 2oku h GLN 535 N 0.26 0.59 -0.48 0.20 4.15 -1.79 0.36 115.11 118.40 2oku h GLN 535 Ca 0.07 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2oku h GLN 535 Cb -0.02 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2oku h GLN 535 CO -0.01 0.39 0.23 0.77 -1.93 0.00 0.00 178.83 178.28 2oku h SER 536 N 0.61 0.62 -0.96 -0.69 0.02 -1.80 -1.97 113.55 109.38 2oku h SER 536 Ca 0.20 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2oku h SER 536 Cb -0.00 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 2oku h SER 536 CO -0.08 0.57 0.62 0.00 -1.14 0.00 0.00 176.83 176.80 2oku h ALA 537 N 1.07 1.22 -0.75 3.77 0.00 -0.47 -1.44 119.26 122.67 2oku h ALA 537 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2oku h ALA 537 Cb 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2oku h ALA 537 CO -0.02 0.64 0.32 0.93 0.00 0.00 0.00 179.25 181.12 2oku h GLU 538 N 1.31 1.10 -0.41 0.00 5.08 -0.56 0.29 114.58 121.39 2oku h GLU 538 Ca 0.35 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2oku h GLU 538 Cb -0.12 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 2oku h GLU 538 CO -0.07 0.87 -0.15 0.28 -1.00 0.00 0.00 179.01 178.94 2oku h VAL 539 N 1.08 1.28 -0.77 3.13 2.07 -0.71 -2.69 116.25 119.63 2oku h VAL 539 Ca 0.25 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.54 2oku h VAL 539 Cb 0.17 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2oku h VAL 539 CO -0.03 0.43 0.51 1.88 0.02 0.00 0.00 177.57 180.38 2oku h TYR 540 N 0.64 0.93 -0.82 1.57 -1.99 -1.01 -1.90 116.97 114.39 2oku h TYR 540 Ca 0.10 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.95 2oku h TYR 540 Cb 0.69 -0.31 -0.08 0.00 2.00 0.00 0.00 36.73 39.03 2oku h TYR 540 CO 0.05 0.55 0.46 1.25 -0.00 0.00 0.00 178.16 180.47 2oku h LEU 541 N 0.97 0.64 -0.62 3.88 5.85 -0.63 -0.89 115.31 124.51 2oku h LEU 541 Ca 0.30 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.95 2oku h LEU 541 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2oku h LEU 541 CO -0.08 0.36 -0.28 0.03 -0.34 0.00 0.00 178.44 178.12 2oku h ARG 542 N 0.76 0.79 -0.04 1.25 3.08 -1.06 0.11 114.38 119.27 2oku h ARG 542 Ca 0.40 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2oku h ARG 542 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2oku h ARG 542 CO -0.26 0.97 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.64 2oku h TYR 543 N 0.67 -0.13 -0.82 3.04 3.20 -0.97 0.27 116.97 122.24 2oku h TYR 543 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2oku h TYR 543 Cb 0.81 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 2oku h TYR 543 CO 0.04 -0.08 0.50 0.78 -1.64 0.00 0.00 178.16 177.76 2oku h GLY 544 N -0.08 1.19 0.92 1.82 0.00 -0.82 -0.45 103.07 105.65 2oku h GLY 544 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2oku h GLY 544 CO -0.08 0.47 0.11 1.46 0.00 0.00 0.00 176.54 178.50 2oku h GLN 545 N 1.13 0.52 -0.37 4.80 4.20 -0.55 -0.55 115.11 124.28 2oku h GLN 545 Ca 0.30 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2oku h GLN 545 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2oku h GLN 545 CO -0.06 0.54 0.17 0.00 -0.67 0.00 0.00 178.83 178.81 2oku h ALA 546 N 0.95 0.45 -0.37 3.87 0.00 -0.60 -1.50 119.26 122.05 2oku h ALA 546 Ca 0.11 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2oku h ALA 546 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2oku h ALA 546 CO -0.00 -0.20 -0.27 0.93 0.00 0.00 0.00 179.25 179.70 2oku h GLU 547 N 0.35 0.79 -0.80 0.00 4.39 -0.94 -1.94 114.58 116.43 2oku h GLU 547 Ca 0.16 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2oku h GLU 547 Cb 0.09 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2oku h GLU 547 CO -0.13 0.97 0.42 1.96 -1.16 0.00 0.00 179.01 181.08 2oku h GLN 548 N 0.67 1.12 -0.46 2.33 4.20 -0.93 -2.21 115.11 119.83 2oku h GLN 548 Ca 0.08 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2oku h GLN 548 Cb 0.80 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2oku h GLN 548 CO 0.07 0.83 0.01 1.49 -0.67 0.00 0.00 178.83 180.57 2oku h GLU 549 N 1.13 0.81 -0.60 1.46 4.57 -0.79 0.10 114.58 121.26 2oku h GLU 549 Ca 0.28 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2oku h GLU 549 Cb 0.05 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2oku h GLU 549 CO -0.04 0.85 0.39 0.87 -1.18 0.00 0.00 179.01 179.90 2oku h LYS 550 N 0.66 0.79 0.13 1.92 1.57 -1.14 -1.07 116.57 119.42 2oku h LYS 550 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2oku h LYS 550 Cb 0.48 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2oku h LYS 550 CO 0.02 0.52 -0.06 0.82 -0.57 0.00 0.00 179.45 180.18 2oku h ILE 551 N 0.81 1.02 -0.42 1.86 2.04 -1.21 -1.83 117.51 119.79 2oku h ILE 551 Ca 0.22 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.49 2oku h ILE 551 Cb -0.09 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2oku h ILE 551 CO -0.05 0.16 0.08 -0.78 0.00 0.00 0.00 178.15 177.56 2oku h ASP 552 N -0.48 0.00 -0.10 1.72 3.58 -0.64 -0.44 116.42 120.06 2oku h ASP 552 Ca -0.02 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2oku h ASP 552 Cb 0.39 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2oku h ASP 552 CO 0.03 0.04 0.02 -1.28 -2.88 0.00 0.00 179.24 175.17 2oku h SER 553 N 0.21 0.02 0.25 2.28 0.87 -1.21 -1.34 113.55 114.63 2oku h SER 553 Ca 0.20 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2oku h SER 553 Cb 0.25 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2oku h SER 553 CO -0.27 0.02 -0.13 0.22 -0.53 0.00 0.00 176.83 176.14 2oku h TYR 554 N 0.07 -0.35 -0.69 2.24 3.20 -1.05 -1.39 116.97 119.01 2oku h TYR 554 Ca 0.04 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2oku h TYR 554 Cb 0.03 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2oku h TYR 554 CO -0.11 -0.21 0.31 0.28 -1.64 0.00 0.00 178.16 176.79 2oku h VAL 555 N -0.36 1.24 0.00 1.81 2.07 -1.05 -1.77 116.25 118.19 2oku h VAL 555 Ca -0.03 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 2oku h VAL 555 Cb 0.29 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2oku h VAL 555 CO 0.04 0.28 -0.41 0.03 0.02 0.00 0.00 177.57 177.54 2oku h ARG 556 N 0.97 0.00 0.00 1.57 3.08 -1.20 -3.00 114.38 115.80 2oku h ARG 556 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2oku h ARG 556 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2oku h ARG 556 CO -0.03 0.41 -0.48 0.00 -1.07 0.00 0.00 179.97 178.80 2oku n ALA 557 N -2.34 3.10 -2.33 0.04 0.00 -0.53 -4.93 120.51 113.53 2oku n ALA 557 Ca -0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 2oku n ALA 557 Cb 0.50 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 2oku n ALA 557 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2oku s PHE 558 N -3.07 3.37 -0.27 0.00 5.36 -0.69 -4.99 117.98 117.68 2oku s PHE 558 Ca 0.09 1.18 -0.18 0.00 -0.96 0.00 0.00 56.93 57.06 2oku s PHE 558 Cb 0.16 -3.51 -0.03 0.00 -0.34 0.00 0.00 43.02 39.30 2oku s PHE 558 CO 0.68 -1.66 0.50 1.03 -1.46 0.00 0.00 175.22 174.32 2oku s ARG 559 N 1.10 4.03 0.55 10.12 0.52 -1.26 -4.96 118.95 129.04 2oku s ARG 559 Ca 0.61 0.26 0.25 0.00 -0.52 0.00 0.00 55.73 56.32 2oku s ARG 559 Cb -0.32 -3.67 1.44 0.00 0.52 0.00 0.00 34.95 32.93 2oku s ARG 559 CO 0.29 -0.37 2.05 -1.35 0.02 0.00 0.00 175.30 175.94 2oku h PRO 560 N 8.07 0.00 0.00 3.54 0.11 -1.98 -0.43 132.00 141.31 2oku h PRO 560 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2oku h PRO 560 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2oku h PRO 560 CO 0.71 0.00 0.13 0.93 -0.21 0.00 0.00 178.00 179.56 2oku h GLU 561 N 0.00 0.00 0.00 1.05 3.07 -2.03 -1.60 114.58 115.06 2oku h GLU 561 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 2oku h GLU 561 Cb 0.69 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.60 2oku h GLU 561 CO -0.00 0.00 -0.08 0.93 -1.40 0.00 0.00 179.01 178.46 2oku h GLU 562 N 0.00 0.00 -6.61 2.33 4.39 -1.49 -3.44 114.58 109.77 2oku h GLU 562 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2oku h GLU 562 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2oku h GLU 562 CO 0.00 0.08 -0.01 -0.51 -1.16 0.00 0.00 179.01 177.41 2oku s LEU 563 N -6.85 4.06 0.00 1.33 1.43 -0.61 -5.15 118.68 112.90 2oku s LEU 563 Ca -0.02 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2oku s LEU 563 Cb 0.12 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2oku s LEU 563 CO 0.55 -0.19 0.50 0.35 0.23 0.00 0.00 176.35 177.79