#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8i s MET 418 N 0.00 4.51 0.84 -1.40 1.00 -1.26 -5.04 119.30 117.95 3f8i s MET 418 Ca 0.00 1.11 -0.11 0.00 0.00 0.00 0.00 55.69 56.69 3f8i s MET 418 Cb 0.00 -3.41 0.10 0.00 0.00 0.00 0.00 34.83 31.52 3f8i s MET 418 CO 0.00 0.15 1.13 -1.25 0.00 0.00 0.00 175.02 175.04 3f8i s PRO 419 N 0.42 1.60 0.54 2.03 0.04 -1.26 -4.90 135.00 133.46 3f8i s PRO 419 Ca 0.42 1.41 0.20 0.00 0.04 0.00 0.00 61.00 63.07 3f8i s PRO 419 Cb -0.20 -1.80 1.42 0.00 0.04 0.00 0.00 34.50 33.96 3f8i s PRO 419 CO 0.23 -2.18 2.16 0.00 0.04 0.00 0.00 177.00 177.25 3f8i h ALA 420 N -1.46 1.92 -0.86 8.56 0.00 -1.99 -2.25 119.26 123.18 3f8i h ALA 420 Ca -0.44 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.01 3f8i h ALA 420 Cb 1.25 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.78 3f8i h ALA 420 CO 0.46 -0.06 0.58 0.27 0.00 0.00 0.00 179.25 180.51 3f8i n ASN 421 N -4.34 3.98 -4.69 0.00 0.23 -1.26 -4.97 115.26 104.22 3f8i n ASN 421 Ca -0.02 -3.40 -0.42 0.00 -0.53 0.00 0.00 54.58 50.20 3f8i n ASN 421 Cb 0.13 -0.81 -0.03 0.00 -2.08 0.00 0.00 39.78 37.00 3f8i n ASN 421 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3f8i s HIS 422 N -2.88 3.33 -0.17 -2.53 2.46 -0.85 -5.04 115.29 109.61 3f8i s HIS 422 Ca 0.50 1.38 -0.11 0.00 0.47 0.00 0.00 55.06 57.29 3f8i s HIS 422 Cb 0.41 -3.32 -0.05 0.00 -0.13 0.00 0.00 32.58 29.50 3f8i s HIS 422 CO 0.09 -0.84 0.20 -0.06 -2.47 0.00 0.00 174.74 171.66 3f8i s PHE 423 N 2.17 3.45 0.00 3.88 0.40 -1.26 -4.89 117.98 121.73 3f8i s PHE 423 Ca 0.52 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 3f8i s PHE 423 Cb -0.22 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3f8i s PHE 423 CO 0.20 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.84 3f8i n GLY 424 N 3.32 0.26 3.77 4.36 0.00 -1.26 -5.03 105.19 110.61 3f8i n GLY 424 Ca -0.15 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.20 3f8i n GLY 424 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3f8i s PRO 425 N -0.50 3.70 -0.23 1.61 0.02 -1.26 -4.83 135.00 133.51 3f8i s PRO 425 Ca 0.00 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 62.63 3f8i s PRO 425 Cb 0.00 -2.41 -0.01 0.00 0.02 0.00 0.00 34.50 32.10 3f8i s PRO 425 CO 0.00 -0.62 0.79 0.42 -0.33 0.00 0.00 177.00 177.25 3f8i s ILE 426 N -1.50 4.87 0.17 2.83 -1.09 -1.26 -5.00 121.20 120.23 3f8i s ILE 426 Ca 0.64 1.49 -0.34 0.00 -2.23 0.00 0.00 60.65 60.21 3f8i s ILE 426 Cb -0.30 -4.08 -0.14 0.00 -1.58 0.00 0.00 42.46 36.36 3f8i s ILE 426 CO 0.37 -0.04 1.54 -2.65 -1.23 0.00 0.00 174.94 172.93 3f8i n PRO 427 N 5.83 2.09 -0.12 2.79 -0.02 -1.26 -1.89 135.00 142.41 3f8i n PRO 427 Ca 0.04 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3f8i n PRO 427 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3f8i n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f8i n GLY 428 N 3.15 0.70 3.03 -1.23 0.00 -1.26 -5.02 105.19 104.55 3f8i n GLY 428 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3f8i n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f8i s VAL 429 N -2.38 2.36 0.61 1.61 1.01 -0.79 -5.11 120.40 117.71 3f8i s VAL 429 Ca 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 61.98 59.56 3f8i s VAL 429 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3f8i s VAL 429 CO 0.00 -0.58 1.03 -2.16 0.00 0.00 0.00 175.10 173.39 3f8i s PRO 430 N 0.93 3.45 0.22 2.72 0.04 -1.26 -4.67 135.00 136.43 3f8i s PRO 430 Ca 0.10 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 3f8i s PRO 430 Cb -0.19 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 3f8i s PRO 430 CO -0.08 -0.69 1.65 0.08 0.04 0.00 0.00 177.00 178.01 3f8i s VAL 431 N -2.83 2.17 0.00 -0.36 1.01 -1.26 -2.28 120.40 116.85 3f8i s VAL 431 Ca 0.59 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3f8i s VAL 431 Cb -0.13 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3f8i s VAL 431 CO 0.44 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3f8i n GLY 432 N 3.44 0.73 3.76 4.51 0.00 -0.22 -4.89 105.19 112.52 3f8i n GLY 432 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3f8i n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f8i s THR 433 N -2.00 2.48 -0.01 2.61 2.01 -0.96 -4.75 115.64 115.02 3f8i s THR 433 Ca 0.00 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.36 3f8i s THR 433 Cb 0.00 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 3f8i s THR 433 CO 0.00 -0.02 -0.07 -0.04 -0.69 0.00 0.00 174.62 173.80 3f8i s MET 434 N -2.98 0.66 0.10 4.92 -1.94 -1.26 -1.71 119.30 117.09 3f8i s MET 434 Ca 0.72 -0.24 0.06 0.00 -1.71 0.00 0.00 55.69 54.51 3f8i s MET 434 Cb -0.35 -0.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.82 3f8i s MET 434 CO 0.40 0.12 -0.15 -1.58 -0.01 0.00 0.00 175.02 173.81 3f8i s TRP 435 N 0.01 1.35 -0.04 -0.03 0.51 -0.60 -1.94 118.94 118.21 3f8i s TRP 435 Ca 0.00 -0.51 -0.21 0.00 -2.12 0.00 0.00 56.10 53.26 3f8i s TRP 435 Cb -0.05 -0.73 -0.31 0.00 -0.81 0.00 0.00 33.47 31.57 3f8i s TRP 435 CO -0.00 0.11 0.93 -0.09 -0.51 0.00 0.00 176.95 177.39 3f8i h ARG 436 N 3.89 0.33 -6.07 4.98 9.65 -1.58 0.18 114.38 125.76 3f8i h ARG 436 Ca -0.41 -0.52 -0.60 0.00 -1.10 0.00 0.00 59.98 57.35 3f8i h ARG 436 Cb 1.19 0.19 -0.12 0.00 -1.39 0.00 0.00 29.97 29.84 3f8i h ARG 436 CO 0.45 1.23 -0.67 -0.06 2.80 0.00 0.00 179.97 183.73 3f8i s PHE 437 N -2.55 2.47 0.17 2.20 0.08 -1.26 -4.45 117.98 114.64 3f8i s PHE 437 Ca -0.13 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 3f8i s PHE 437 Cb 0.01 -1.30 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 3f8i s PHE 437 CO 0.84 0.58 1.64 0.00 -0.10 0.00 0.00 175.22 178.18 3f8i h ARG 438 N 1.99 0.97 -0.86 0.44 2.47 -1.92 -2.74 114.38 114.72 3f8i h ARG 438 Ca -0.42 -0.28 0.13 0.00 -1.26 0.00 0.00 59.98 58.15 3f8i h ARG 438 Cb 1.25 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 29.41 3f8i h ARG 438 CO 0.65 0.94 0.56 -0.39 0.56 0.00 0.00 179.97 182.29 3f8i h VAL 439 N 0.86 0.86 -0.70 2.04 -1.51 -1.92 0.20 116.25 116.08 3f8i h VAL 439 Ca 0.17 -0.23 -0.05 0.00 -1.23 0.00 0.00 66.70 65.35 3f8i h VAL 439 Cb 0.47 0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 29.72 3f8i h VAL 439 CO 0.02 0.12 0.23 1.56 -1.23 0.00 0.00 177.57 178.27 3f8i h GLN 440 N 0.68 1.07 -0.05 5.19 4.20 -1.91 -0.23 115.11 124.05 3f8i h GLN 440 Ca 0.42 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3f8i h GLN 440 Cb 0.67 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3f8i h GLN 440 CO -0.18 0.90 -0.48 0.28 -0.67 0.00 0.00 178.83 178.68 3f8i h VAL 441 N 1.03 1.34 -0.24 -0.54 2.07 -0.60 -2.57 116.25 116.75 3f8i h VAL 441 Ca 0.23 -1.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 3f8i h VAL 441 Cb 0.28 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3f8i h VAL 441 CO -0.01 0.49 -0.15 0.28 0.02 0.00 0.00 177.57 178.20 3f8i h SER 442 N 0.11 0.54 0.73 0.57 0.02 -0.17 -3.07 113.55 112.28 3f8i h SER 442 Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3f8i h SER 442 Cb 0.89 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3f8i h SER 442 CO 0.07 0.86 0.00 -0.33 -1.14 0.00 0.00 176.83 176.29 3f8i h GLU 443 N 0.23 0.00 0.00 3.45 5.08 -0.92 -1.86 114.58 120.56 3f8i h GLU 443 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3f8i h GLU 443 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3f8i h GLU 443 CO 0.04 0.00 -0.50 -1.13 -1.00 0.00 0.00 179.01 176.42 3f8i n SER 444 N -2.58 0.73 0.00 1.42 3.41 -0.98 -4.94 113.62 110.68 3f8i n SER 444 Ca 0.01 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3f8i n SER 444 Cb 0.23 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3f8i n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f8i n GLY 445 N 1.33 1.41 0.24 5.00 0.00 -0.70 -4.92 105.19 107.55 3f8i n GLY 445 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3f8i n GLY 445 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f8i h VAL 446 N 0.00 1.25 -2.04 1.61 2.07 -1.79 -3.40 116.25 113.96 3f8i h VAL 446 Ca 0.00 -0.95 -0.37 0.00 0.82 0.00 0.00 66.70 66.20 3f8i h VAL 446 Cb 0.00 0.93 -0.32 0.00 -1.52 0.00 0.00 31.29 30.38 3f8i h VAL 446 CO 0.00 0.33 -0.69 -2.28 0.02 0.00 0.00 177.57 174.96 3f8i s HIS 447 N -5.16 -0.26 0.15 1.57 5.65 -1.17 -4.75 115.29 111.33 3f8i s HIS 447 Ca -0.13 -0.73 -0.18 0.00 0.25 0.00 0.00 55.06 54.27 3f8i s HIS 447 Cb 0.11 -0.46 0.05 0.00 -1.18 0.00 0.00 32.58 31.11 3f8i s HIS 447 CO 0.80 -0.95 1.68 0.00 -0.65 0.00 0.00 174.74 175.62 3f8i h ARG 448 N 7.34 -0.00 -6.95 2.88 2.47 -1.77 -3.16 114.38 115.18 3f8i h ARG 448 Ca 0.01 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.17 3f8i h ARG 448 Cb 1.05 0.00 0.14 0.00 -1.65 0.00 0.00 29.97 29.52 3f8i h ARG 448 CO 0.24 -0.00 0.48 -2.30 0.56 0.00 0.00 179.97 178.95 3f8i n PRO 449 N -5.27 1.58 0.00 0.04 -0.02 -1.26 -4.63 135.00 125.44 3f8i n PRO 449 Ca 0.01 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3f8i n PRO 449 Cb 0.19 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.13 3f8i n PRO 449 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3f8i n HIS 450 N -1.00 0.00 0.06 6.00 1.44 -1.26 -4.71 115.22 115.74 3f8i n HIS 450 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 3f8i n HIS 450 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 3f8i n HIS 450 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3f8i n VAL 451 N -1.02 0.60 -1.60 0.61 0.31 -1.26 -4.73 118.33 111.24 3f8i n VAL 451 Ca 0.06 0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 64.16 3f8i n VAL 451 Cb 0.37 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3f8i n VAL 451 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f8i n ALA 452 N -3.31 0.01 0.20 3.52 0.00 -1.26 -4.91 120.51 114.77 3f8i n ALA 452 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3f8i n ALA 452 Cb 0.10 -2.05 0.18 0.00 0.00 0.00 0.00 19.45 17.68 3f8i n ALA 452 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3f8i h GLY 453 N 1.63 0.00 -4.93 0.00 0.00 -1.96 -3.45 103.07 94.36 3f8i h GLY 453 Ca -0.43 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.23 3f8i h GLY 453 CO 0.57 0.00 -0.88 -0.42 0.00 0.00 0.00 176.54 175.82 3f8i s ILE 454 N -3.20 1.97 -0.24 2.60 1.01 -1.26 -1.57 121.20 120.51 3f8i s ILE 454 Ca 0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3f8i s ILE 454 Cb 0.06 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.90 3f8i s ILE 454 CO 0.68 0.55 -0.06 -2.28 0.00 0.00 0.00 174.94 173.83 3f8i s HIS 455 N -0.22 3.04 0.17 3.97 5.65 -0.71 -4.95 115.29 122.25 3f8i s HIS 455 Ca -0.01 -1.49 -0.24 0.00 0.25 0.00 0.00 55.06 53.57 3f8i s HIS 455 Cb -0.13 -2.06 0.06 0.00 -1.18 0.00 0.00 32.58 29.27 3f8i s HIS 455 CO 0.03 -0.71 0.85 0.20 -0.65 0.00 0.00 174.74 174.45 3f8i s GLY 456 N 1.34 -0.25 -0.12 1.59 0.00 -1.26 -0.62 107.32 108.01 3f8i s GLY 456 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.88 3f8i s GLY 456 CO -0.05 0.02 -0.21 0.50 0.00 0.00 0.00 173.10 173.37 3f8i s ARG 457 N -3.50 2.80 0.59 2.90 0.52 -0.49 -4.84 118.95 116.93 3f8i s ARG 457 Ca 0.10 -0.78 0.34 0.00 -0.52 0.00 0.00 55.73 54.87 3f8i s ARG 457 Cb -0.03 -2.24 1.22 0.00 0.52 0.00 0.00 34.95 34.42 3f8i s ARG 457 CO 0.01 0.03 1.45 0.66 0.02 0.00 0.00 175.30 177.48 3f8i h SER 458 N 7.16 0.00 0.00 0.23 4.64 -1.87 0.29 113.55 124.00 3f8i h SER 458 Ca -0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 3f8i h SER 458 Cb 1.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 3f8i h SER 458 CO 0.51 0.00 -0.55 -3.20 -0.87 0.00 0.00 176.83 172.72 3f8i n ASN 459 N -3.51 1.58 0.06 4.97 5.15 -1.26 -4.51 115.26 117.74 3f8i n ASN 459 Ca 0.28 -3.36 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 3f8i n ASN 459 Cb 1.57 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 40.36 3f8i n ASN 459 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3f8i n ASP 460 N -0.79 0.22 0.00 1.20 4.64 0.05 -5.17 116.55 116.70 3f8i n ASP 460 Ca 0.15 0.21 0.00 0.00 -1.38 0.00 0.00 54.79 53.78 3f8i n ASP 460 Cb 0.78 0.06 0.00 0.00 -1.04 0.00 0.00 41.12 40.92 3f8i n ASP 460 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3f8i n GLY 461 N 2.27 0.02 3.72 0.27 0.00 -0.93 -4.80 105.19 105.73 3f8i n GLY 461 Ca 0.00 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 3f8i n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8i s ALA 462 N -1.16 3.51 -0.12 4.61 0.00 -1.09 -1.39 121.76 126.11 3f8i s ALA 462 Ca 0.00 -0.73 0.17 0.00 0.00 0.00 0.00 51.96 51.39 3f8i s ALA 462 Cb 0.00 -1.80 -0.22 0.00 0.00 0.00 0.00 23.12 21.10 3f8i s ALA 462 CO 0.00 0.43 0.46 0.66 0.00 0.00 0.00 175.76 177.31 3f8i n TYR 463 N 2.66 0.53 -3.53 0.00 4.01 0.21 -4.63 117.16 116.42 3f8i n TYR 463 Ca -0.18 0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 3f8i n TYR 463 Cb 0.53 -1.03 -0.02 0.00 -0.31 0.00 0.00 39.34 38.51 3f8i n TYR 463 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3f8i s SER 464 N -5.64 -0.35 0.09 7.72 1.04 -1.24 -0.85 113.70 114.46 3f8i s SER 464 Ca -0.07 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 3f8i s SER 464 Cb 0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.60 3f8i s SER 464 CO 0.83 -0.64 0.27 -1.48 0.98 0.00 0.00 173.24 173.20 3f8i s LEU 465 N -2.52 1.01 -0.05 2.42 0.05 -0.59 -1.74 118.68 117.27 3f8i s LEU 465 Ca 0.06 -0.45 0.04 0.00 0.05 0.00 0.00 54.13 53.83 3f8i s LEU 465 Cb -0.01 1.33 -0.00 0.00 -2.05 0.00 0.00 46.19 45.46 3f8i s LEU 465 CO -0.08 -0.74 -0.16 0.54 -0.55 0.00 0.00 176.35 175.36 3f8i s VAL 466 N -3.53 1.38 -0.37 1.48 0.11 -0.61 -1.81 120.40 117.05 3f8i s VAL 466 Ca 0.02 -0.68 -0.18 0.00 -2.93 0.00 0.00 61.98 58.21 3f8i s VAL 466 Cb 0.03 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3f8i s VAL 466 CO -0.09 0.40 0.50 -0.76 -3.33 0.00 0.00 175.10 171.82 3f8i s LEU 467 N 0.11 4.44 -0.01 2.54 1.43 -0.33 -4.87 118.68 122.00 3f8i s LEU 467 Ca -0.05 -0.16 0.18 0.00 -1.03 0.00 0.00 54.13 53.06 3f8i s LEU 467 Cb -0.12 -2.55 0.30 0.00 0.03 0.00 0.00 46.19 43.85 3f8i s LEU 467 CO 0.02 -0.51 1.12 0.00 0.23 0.00 0.00 176.35 177.21 3f8i n ALA 468 N 5.74 2.29 -2.49 4.21 0.00 -1.26 -1.16 120.51 127.84 3f8i n ALA 468 Ca -0.05 -1.99 -0.18 0.00 0.00 0.00 0.00 53.44 51.22 3f8i n ALA 468 Cb 0.49 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 3f8i n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f8i n GLY 469 N 0.29 -0.50 0.12 0.00 0.00 -1.26 -3.88 105.19 99.95 3f8i n GLY 469 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3f8i n GLY 469 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f8i h GLY 470 N -0.12 0.00 -7.19 -0.02 0.00 -1.94 -3.44 103.07 90.35 3f8i h GLY 470 Ca -0.42 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.29 3f8i h GLY 470 CO 0.49 0.00 -0.81 -0.19 0.00 0.00 0.00 176.54 176.03 3f8i s TYR 471 N -3.26 2.53 0.63 5.60 1.51 -1.26 -5.00 117.35 118.09 3f8i s TYR 471 Ca -0.00 -1.70 0.27 0.00 -1.01 0.00 0.00 57.07 54.62 3f8i s TYR 471 Cb 0.09 -1.68 1.42 0.00 -0.11 0.00 0.00 41.96 41.69 3f8i s TYR 471 CO 0.79 -0.77 1.82 1.05 -1.11 0.00 0.00 175.55 177.33 3f8i h GLU 472 N 7.95 0.00 -0.00 -0.62 4.11 -2.01 -0.88 114.58 123.13 3f8i h GLU 472 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3f8i h GLU 472 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3f8i h GLU 472 CO 0.47 0.00 -0.05 -0.25 0.07 0.00 0.00 179.01 179.25 3f8i n ASP 473 N -3.23 0.12 -4.76 3.06 8.00 -1.26 -4.88 116.55 113.61 3f8i n ASP 473 Ca 0.04 -0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.08 3f8i n ASP 473 Cb 0.59 -0.26 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3f8i n ASP 473 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3f8i s ASP 474 N -2.67 5.48 -0.09 -2.24 1.01 -0.34 -4.82 116.67 113.01 3f8i s ASP 474 Ca 0.24 2.32 -0.03 0.00 0.71 0.00 0.00 52.55 55.79 3f8i s ASP 474 Cb 0.20 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.58 3f8i s ASP 474 CO 0.49 -1.39 0.07 -0.69 0.21 0.00 0.00 175.17 173.86 3f8i s VAL 475 N -1.64 -0.08 -0.26 -1.27 1.01 -0.35 -4.98 120.40 112.83 3f8i s VAL 475 Ca 0.74 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 3f8i s VAL 475 Cb -0.28 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3f8i s VAL 475 CO 0.31 -0.00 0.14 -0.62 0.00 0.00 0.00 175.10 174.93 3f8i s ASP 476 N 2.15 5.68 -0.10 3.32 -1.08 -1.26 -0.62 116.67 124.76 3f8i s ASP 476 Ca 0.04 -0.07 0.14 0.00 -0.52 0.00 0.00 52.55 52.15 3f8i s ASP 476 Cb -0.14 -2.04 0.31 0.00 -1.46 0.00 0.00 42.92 39.59 3f8i s ASP 476 CO -0.05 -0.02 1.15 0.59 0.52 0.00 0.00 175.17 177.35 3f8i n ASN 477 N 4.87 1.39 0.00 -0.34 4.13 0.47 -4.85 115.26 120.94 3f8i n ASN 477 Ca -0.15 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.21 3f8i n ASN 477 Cb 0.52 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 3f8i n ASN 477 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f8i n GLY 478 N -0.62 2.20 0.00 7.41 0.00 -1.26 -3.66 105.19 109.26 3f8i n GLY 478 Ca 0.12 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.18 3f8i n GLY 478 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f8i n ASN 479 N 6.40 0.00 -3.97 1.61 3.02 -1.26 -4.70 115.26 116.36 3f8i n ASN 479 Ca 0.00 0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 54.84 3f8i n ASN 479 Cb 0.00 -0.46 -0.12 0.00 -0.61 0.00 0.00 39.78 38.58 3f8i n ASN 479 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3f8i s TYR 480 N -2.93 0.31 -0.03 3.10 2.02 -1.24 -1.12 117.35 117.46 3f8i s TYR 480 Ca 0.14 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.23 3f8i s TYR 480 Cb 0.16 -0.20 0.08 0.00 -0.40 0.00 0.00 41.96 41.59 3f8i s TYR 480 CO 0.43 -0.09 0.71 -0.59 -1.57 0.00 0.00 175.55 174.44 3f8i s PHE 481 N -0.84 -0.60 -0.30 2.71 -0.12 -0.94 -0.39 117.98 117.50 3f8i s PHE 481 Ca -0.08 0.94 -0.03 0.00 -0.05 0.00 0.00 56.93 57.71 3f8i s PHE 481 Cb -0.06 0.44 0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3f8i s PHE 481 CO -0.00 -0.61 0.02 0.99 -0.05 0.00 0.00 175.22 175.56 3f8i s THR 482 N -1.59 3.27 0.20 -4.49 2.01 0.21 -0.93 115.64 114.31 3f8i s THR 482 Ca -0.08 -1.15 -0.08 0.00 0.31 0.00 0.00 61.69 60.69 3f8i s THR 482 Cb -0.00 -2.80 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 3f8i s THR 482 CO 0.05 -0.03 0.48 -0.47 -0.69 0.00 0.00 174.62 173.97 3f8i s TYR 483 N 1.34 3.44 0.02 4.92 5.04 0.24 -1.21 117.35 131.15 3f8i s TYR 483 Ca -0.02 0.75 0.01 0.00 -2.44 0.00 0.00 57.07 55.37 3f8i s TYR 483 Cb -0.19 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 3f8i s TYR 483 CO -0.00 0.33 0.06 0.99 -1.34 0.00 0.00 175.55 175.58 3f8i s THR 484 N -1.75 4.50 1.01 4.34 2.01 -1.26 -0.37 115.64 124.12 3f8i s THR 484 Ca 0.45 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 3f8i s THR 484 Cb -0.12 -3.08 0.19 0.00 0.01 0.00 0.00 72.50 69.51 3f8i s THR 484 CO 0.22 0.29 1.14 -0.83 -0.69 0.00 0.00 174.62 174.75 3f8i s GLY 485 N -1.89 1.60 0.31 4.40 0.00 0.11 -4.97 107.32 106.88 3f8i s GLY 485 Ca 0.24 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.35 3f8i s GLY 485 CO 0.15 0.00 0.39 -1.35 0.00 0.00 0.00 173.10 172.30 3f8i s SER 486 N -3.96 5.86 0.00 1.64 1.04 -1.26 -4.84 113.70 112.18 3f8i s SER 486 Ca 0.67 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.89 3f8i s SER 486 Cb -0.13 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.68 3f8i s SER 486 CO 0.55 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.06 3f8i n GLY 487 N -1.51 -1.57 2.25 7.32 0.00 -1.26 -4.76 105.19 105.66 3f8i n GLY 487 Ca -0.03 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3f8i n GLY 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f8i n GLY 488 N 0.00 0.25 3.16 -0.02 0.00 -1.26 -4.85 105.19 102.47 3f8i n GLY 488 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 3f8i n GLY 488 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8i s ARG 489 N -4.17 0.86 -0.45 1.61 0.52 -1.26 -1.32 118.95 114.73 3f8i s ARG 489 Ca 0.00 -0.89 -0.16 0.00 -0.52 0.00 0.00 55.73 54.15 3f8i s ARG 489 Cb 0.00 -0.87 0.05 0.00 0.52 0.00 0.00 34.95 34.65 3f8i s ARG 489 CO 0.00 0.20 0.42 0.34 0.02 0.00 0.00 175.30 176.28 3f8i s ASP 490 N -1.55 6.16 -0.10 0.23 2.15 -1.26 -4.93 116.67 117.37 3f8i s ASP 490 Ca -0.01 -1.02 0.18 0.00 0.43 0.00 0.00 52.55 52.12 3f8i s ASP 490 Cb -0.09 -2.20 0.69 0.00 -0.30 0.00 0.00 42.92 41.01 3f8i s ASP 490 CO 0.02 -0.62 1.58 0.18 -0.17 0.00 0.00 175.17 176.16 3f8i n LEU 491 N 5.43 4.51 -4.77 -1.34 4.77 -1.26 -4.87 117.00 119.47 3f8i n LEU 491 Ca -0.10 -2.28 -0.40 0.00 -0.03 0.00 0.00 56.01 53.20 3f8i n LEU 491 Cb 0.45 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3f8i n LEU 491 CO 0.47 0.78 1.06 -0.94 -1.33 0.00 0.00 177.39 177.43 3f8i s SER 492 N -0.87 5.99 0.00 -1.43 1.04 -1.26 -1.86 113.70 115.31 3f8i s SER 492 Ca 0.49 2.91 0.00 0.00 0.48 0.00 0.00 55.95 59.82 3f8i s SER 492 Cb 0.31 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3f8i s SER 492 CO 0.24 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3f8i n GLY 493 N 0.57 1.63 3.80 7.32 0.00 -1.26 -4.51 105.19 112.74 3f8i n GLY 493 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3f8i n GLY 493 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3f8i n ASN 494 N 0.08 -3.48 -4.91 1.61 5.15 -1.20 -5.00 115.26 107.50 3f8i n ASN 494 Ca 0.00 -1.03 -0.20 0.00 -0.60 0.00 0.00 54.58 52.75 3f8i n ASN 494 Cb 0.01 -3.18 -0.02 0.00 -0.53 0.00 0.00 39.78 36.07 3f8i n ASN 494 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3f8i s LYS 495 N -6.27 2.56 0.00 1.20 1.02 -0.78 -5.05 119.74 112.42 3f8i s LYS 495 Ca 0.31 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.78 3f8i s LYS 495 Cb -0.12 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3f8i s LYS 495 CO 0.88 -0.28 0.00 0.54 -0.92 0.00 0.00 175.35 175.56 3f8i n ARG 496 N -1.67 1.00 -4.03 1.68 5.12 -1.26 -4.91 116.66 112.60 3f8i n ARG 496 Ca 0.05 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.88 3f8i n ARG 496 Cb 0.61 -0.98 -0.09 0.00 -1.16 0.00 0.00 32.46 30.84 3f8i n ARG 496 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3f8i s THR 497 N -1.94 0.15 -0.08 0.55 2.01 -1.26 -5.07 115.64 109.99 3f8i s THR 497 Ca 0.00 -1.61 -0.31 0.00 0.31 0.00 0.00 61.69 60.08 3f8i s THR 497 Cb 0.00 -1.65 0.11 0.00 0.01 0.00 0.00 72.50 70.97 3f8i s THR 497 CO 0.00 -0.67 1.38 0.00 -0.69 0.00 0.00 174.62 174.63 3f8i s ALA 498 N -3.94 -2.66 0.63 7.40 0.00 -1.26 -4.96 121.76 116.97 3f8i s ALA 498 Ca 0.12 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.38 3f8i s ALA 498 Cb 0.06 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3f8i s ALA 498 CO -0.06 -1.14 0.98 0.20 0.00 0.00 0.00 175.76 175.74 3f8i s GLY 499 N -3.64 1.61 0.26 0.00 0.00 -1.26 -4.98 107.32 99.31 3f8i s GLY 499 Ca 0.27 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 3f8i s GLY 499 CO -0.04 -0.19 1.44 1.20 0.00 0.00 0.00 173.10 175.51 3f8i s GLN 500 N -5.13 4.26 0.00 2.90 -1.52 -1.26 -4.49 119.66 114.41 3f8i s GLN 500 Ca 0.55 2.31 0.00 0.00 -1.95 0.00 0.00 55.36 56.28 3f8i s GLN 500 Cb -0.11 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 3f8i s GLN 500 CO 0.48 -0.42 0.35 -1.13 -0.25 0.00 0.00 175.29 174.33 3f8i n SER 501 N 2.20 0.00 -3.60 5.90 3.41 -0.44 -5.01 113.62 116.08 3f8i n SER 501 Ca 0.06 -1.00 -0.07 0.00 -0.26 0.00 0.00 58.87 57.60 3f8i n SER 501 Cb 0.40 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 3f8i n SER 501 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f8i s SER 502 N 0.00 -0.32 0.58 4.04 1.04 -1.10 -4.98 113.70 112.96 3f8i s SER 502 Ca 0.00 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 3f8i s SER 502 Cb 0.00 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3f8i s SER 502 CO 0.00 -0.79 1.19 -1.81 0.98 0.00 0.00 173.24 172.80 3f8i s ASP 503 N -2.69 5.35 0.41 7.02 1.01 -1.26 -4.47 116.67 122.03 3f8i s ASP 503 Ca 0.07 2.33 -0.01 0.00 0.71 0.00 0.00 52.55 55.65 3f8i s ASP 503 Cb -0.01 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 3f8i s ASP 503 CO -0.05 -1.48 0.64 -1.10 0.21 0.00 0.00 175.17 173.39 3f8i s GLN 504 N -3.32 3.43 0.13 8.23 -0.21 -0.69 -4.29 119.66 122.94 3f8i s GLN 504 Ca 0.76 -0.19 0.07 0.00 0.02 0.00 0.00 55.36 56.03 3f8i s GLN 504 Cb -0.28 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 3f8i s GLN 504 CO 0.31 -0.03 -0.17 0.15 -2.12 0.00 0.00 175.29 173.43 3f8i s LYS 505 N -4.49 1.12 -1.45 2.91 3.01 -1.26 -4.85 119.74 114.73 3f8i s LYS 505 Ca 0.44 -1.25 -0.10 0.00 -1.01 0.00 0.00 55.97 54.04 3f8i s LYS 505 Cb -0.10 -1.17 0.04 0.00 -1.01 0.00 0.00 37.83 35.59 3f8i s LYS 505 CO 0.39 0.25 2.41 -0.11 0.51 0.00 0.00 175.35 178.80 3f8i n LEU 506 N 0.67 7.62 -4.39 3.17 7.94 -1.26 -4.70 117.00 126.05 3f8i n LEU 506 Ca -0.16 -4.45 -0.19 0.00 -1.11 0.00 0.00 56.01 50.10 3f8i n LEU 506 Cb 0.56 -1.54 -0.10 0.00 0.53 0.00 0.00 43.42 42.87 3f8i n LEU 506 CO 0.26 1.63 -0.25 0.42 -1.11 0.00 0.00 177.39 178.33 3f8i s THR 507 N 1.54 0.81 0.00 1.96 -4.23 -1.26 -4.33 115.64 110.13 3f8i s THR 507 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3f8i s THR 507 Cb 0.15 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.31 3f8i s THR 507 CO -0.06 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.61 3f8i n ASN 508 N -0.63 0.00 -0.20 3.99 3.02 -1.26 -1.56 115.26 118.63 3f8i n ASN 508 Ca -0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 3f8i n ASN 508 Cb 0.66 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.90 3f8i n ASN 508 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3f8i h ASN 509 N 0.00 0.50 -0.56 6.41 2.35 -1.95 -0.41 115.58 121.92 3f8i h ASN 509 Ca 0.00 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3f8i h ASN 509 Cb 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3f8i h ASN 509 CO 0.00 0.34 0.37 0.78 -1.65 0.00 0.00 177.43 177.28 3f8i h ASN 510 N 0.63 0.59 -0.14 5.81 -0.26 -1.56 -1.53 115.58 119.11 3f8i h ASN 510 Ca 0.25 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.82 3f8i h ASN 510 Cb 0.10 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3f8i h ASN 510 CO -0.14 0.41 -0.55 -0.09 -1.06 0.00 0.00 177.43 176.00 3f8i h ARG 511 N 0.68 0.62 -0.58 0.81 2.43 -0.84 -3.00 114.38 114.51 3f8i h ARG 511 Ca 0.22 -0.48 0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3f8i h ARG 511 Cb 0.04 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3f8i h ARG 511 CO -0.06 1.10 0.28 0.00 -1.51 0.00 0.00 179.97 179.79 3f8i h ALA 512 N 0.52 0.75 -0.30 2.80 0.00 -0.41 -2.36 119.26 120.26 3f8i h ALA 512 Ca -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3f8i h ALA 512 Cb 1.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3f8i h ALA 512 CO 0.12 -0.08 -0.19 1.25 0.00 0.00 0.00 179.25 180.35 3f8i h LEU 513 N 0.53 0.55 -1.66 0.00 5.85 -1.35 -2.55 115.31 116.67 3f8i h LEU 513 Ca 0.26 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3f8i h LEU 513 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3f8i h LEU 513 CO -0.20 0.75 -0.19 0.00 -0.34 0.00 0.00 178.44 178.47 3f8i h ALA 514 N 1.30 1.31 0.00 1.25 0.00 -1.29 -2.35 119.26 119.48 3f8i h ALA 514 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3f8i h ALA 514 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3f8i h ALA 514 CO 0.04 0.23 -0.00 -0.07 0.00 0.00 0.00 179.25 179.45 3f8i h LEU 515 N 0.00 0.00 -1.00 0.00 3.38 -1.06 -2.71 115.31 113.93 3f8i h LEU 515 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3f8i h LEU 515 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3f8i h LEU 515 CO 0.02 0.00 -0.46 0.78 0.09 0.00 0.00 178.44 178.87 3f8i h ASN 516 N 0.00 0.00 -3.21 -0.43 4.21 -1.49 -3.44 115.58 111.23 3f8i h ASN 516 Ca -0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 3f8i h ASN 516 Cb 0.49 0.00 0.05 0.00 -1.12 0.00 0.00 38.32 37.74 3f8i h ASN 516 CO 0.00 0.46 0.81 0.00 -1.29 0.00 0.00 177.43 177.41 3f8i n HIS 518 N 2.82 3.14 -3.61 0.00 -0.00 -1.26 -4.74 115.22 111.58 3f8i n HIS 518 Ca 0.09 -2.27 -0.06 0.00 0.46 0.00 0.00 57.72 55.94 3f8i n HIS 518 Cb 0.39 -2.35 -0.04 0.00 -0.12 0.00 0.00 29.99 27.87 3f8i n HIS 518 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3f8i s SER 519 N 4.70 -0.20 0.35 0.26 0.15 -1.26 -2.11 113.70 115.60 3f8i s SER 519 Ca 0.57 0.20 -0.29 0.00 0.70 0.00 0.00 55.95 57.13 3f8i s SER 519 Cb 0.08 0.16 -0.11 0.00 -1.71 0.00 0.00 66.02 64.45 3f8i s SER 519 CO 0.06 -0.19 1.52 -2.84 1.20 0.00 0.00 173.24 172.99 3f8i s PRO 520 N -1.17 4.10 0.11 5.44 0.02 -1.26 -4.88 135.00 137.35 3f8i s PRO 520 Ca 0.04 2.59 -0.34 0.00 0.02 0.00 0.00 61.00 63.31 3f8i s PRO 520 Cb -0.01 -2.98 -0.14 0.00 0.02 0.00 0.00 34.50 31.40 3f8i s PRO 520 CO -0.03 -0.57 1.61 1.51 -0.33 0.00 0.00 177.00 179.19 3f8i n ILE 521 N 0.93 0.11 -4.02 2.83 0.13 -1.26 -4.93 119.36 113.14 3f8i n ILE 521 Ca 0.03 -0.02 -0.25 0.00 -1.10 0.00 0.00 62.75 61.41 3f8i n ILE 521 Cb 0.39 -1.53 -0.17 0.00 -0.84 0.00 0.00 39.64 37.49 3f8i n ILE 521 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 3f8i s ASN 522 N 1.46 1.92 0.26 9.51 3.84 -1.26 -5.01 114.94 125.66 3f8i s ASN 522 Ca 0.82 -0.25 0.15 0.00 0.21 0.00 0.00 52.86 53.78 3f8i s ASN 522 Cb -0.71 -0.75 0.81 0.00 -0.55 0.00 0.00 41.25 40.05 3f8i s ASN 522 CO 0.41 -0.10 1.41 1.21 -2.79 0.00 0.00 177.10 177.25 3f8i n GLU 523 N 4.71 0.10 0.00 0.43 4.07 -1.26 -0.77 120.64 127.92 3f8i n GLU 523 Ca -0.14 0.58 0.06 0.00 -0.06 0.00 0.00 57.16 57.59 3f8i n GLU 523 Cb 0.50 -1.92 0.05 0.00 -0.06 0.00 0.00 31.44 30.01 3f8i n GLU 523 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3f8i n LYS 524 N -2.03 0.89 0.00 5.31 5.02 -1.26 -5.00 118.16 121.09 3f8i n LYS 524 Ca -0.01 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 3f8i n LYS 524 Cb 0.12 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3f8i n LYS 524 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f8i n GLY 525 N 0.74 2.33 3.62 0.72 0.00 0.05 -4.58 105.19 108.07 3f8i n GLY 525 Ca 0.07 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 3f8i n GLY 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f8i s ALA 526 N -2.39 -1.49 0.03 4.61 0.00 -0.86 -4.61 121.76 117.05 3f8i s ALA 526 Ca 0.00 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.23 3f8i s ALA 526 Cb 0.00 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3f8i s ALA 526 CO 0.00 -0.89 -0.15 -2.00 0.00 0.00 0.00 175.76 172.72 3f8i s GLU 527 N -3.69 1.03 0.25 0.00 2.12 -1.26 -2.25 118.70 114.91 3f8i s GLU 527 Ca 0.06 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 3f8i s GLU 527 Cb -0.03 -1.05 -0.09 0.00 0.26 0.00 0.00 34.13 33.22 3f8i s GLU 527 CO -0.04 0.27 0.98 0.00 -0.54 0.00 0.00 175.26 175.92 3f8i s ALA 528 N -0.75 3.35 -0.98 6.30 0.00 -0.66 -4.75 121.76 124.26 3f8i s ALA 528 Ca 0.03 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 3f8i s ALA 528 Cb -0.08 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.95 3f8i s ALA 528 CO 0.01 0.13 1.18 -1.21 0.00 0.00 0.00 175.76 175.86 3f8i s GLU 529 N -1.29 3.69 -0.08 0.00 0.41 -0.90 -4.33 118.70 116.21 3f8i s GLU 529 Ca 0.42 -1.93 -0.02 0.00 -0.41 0.00 0.00 54.97 53.04 3f8i s GLU 529 Cb -0.27 -4.94 0.00 0.00 -1.78 0.00 0.00 34.13 27.15 3f8i s GLU 529 CO 0.34 -1.76 0.07 -3.47 -0.49 0.00 0.00 175.26 169.94 3f8i n ASP 530 N 6.33 -3.27 -0.14 -0.19 2.03 -1.26 -4.87 116.55 115.18 3f8i n ASP 530 Ca 0.26 0.20 0.19 0.00 0.52 0.00 0.00 54.79 55.96 3f8i n ASP 530 Cb 0.48 -1.92 0.58 0.00 -0.72 0.00 0.00 41.12 39.53 3f8i n ASP 530 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3f8i h TRP 531 N 0.53 0.32 0.00 -0.67 5.08 -1.93 -1.96 115.95 117.32 3f8i h TRP 531 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3f8i h TRP 531 Cb 0.11 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 3f8i h TRP 531 CO 0.01 0.11 0.00 0.00 -1.28 0.00 0.00 178.44 177.28 3f8i h ARG 532 N 0.26 0.00 0.00 0.12 3.08 -1.96 -2.00 114.38 113.89 3f8i h ARG 532 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3f8i h ARG 532 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3f8i h ARG 532 CO -0.09 0.00 -0.27 1.04 -1.07 0.00 0.00 179.97 179.59 3f8i n GLN 533 N -2.75 0.05 -1.14 0.04 6.02 -0.74 -4.90 117.38 113.97 3f8i n GLN 533 Ca -0.01 0.03 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 3f8i n GLN 533 Cb 0.11 -1.54 0.22 0.00 1.02 0.00 0.00 30.24 30.04 3f8i n GLN 533 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3f8i s GLY 534 N -3.12 1.58 0.32 1.08 0.00 -0.75 -4.89 107.32 101.54 3f8i s GLY 534 Ca 0.12 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 3f8i s GLY 534 CO 0.62 0.03 1.06 0.54 0.00 0.00 0.00 173.10 175.35 3f8i s LYS 535 N -5.27 4.48 0.35 2.90 1.02 -0.71 -4.97 119.74 117.54 3f8i s LYS 535 Ca 0.69 1.64 -0.26 0.00 0.02 0.00 0.00 55.97 58.06 3f8i s LYS 535 Cb -0.13 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 3f8i s LYS 535 CO 0.56 0.11 1.05 -1.25 -0.92 0.00 0.00 175.35 174.91 3f8i s PRO 536 N -1.84 4.37 -0.14 -1.68 0.04 -1.26 -4.59 135.00 129.91 3f8i s PRO 536 Ca 0.49 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.13 3f8i s PRO 536 Cb -0.27 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.49 3f8i s PRO 536 CO 0.34 0.03 -0.17 0.08 0.04 0.00 0.00 177.00 177.33 3f8i s VAL 537 N -1.48 1.70 0.20 -0.36 1.01 -0.25 -4.49 120.40 116.73 3f8i s VAL 537 Ca 0.52 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 3f8i s VAL 537 Cb -0.25 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 3f8i s VAL 537 CO 0.32 0.48 1.19 -0.13 0.00 0.00 0.00 175.10 176.96 3f8i s ARG 538 N 1.19 4.50 -0.08 2.72 0.52 -0.03 -1.31 118.95 126.46 3f8i s ARG 538 Ca -0.01 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 3f8i s ARG 538 Cb -0.14 -3.23 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 3f8i s ARG 538 CO -0.07 -0.06 -0.23 0.08 0.02 0.00 0.00 175.30 175.04 3f8i s VAL 539 N -0.19 1.91 -0.08 3.52 1.01 -0.43 -1.54 120.40 124.60 3f8i s VAL 539 Ca 0.52 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3f8i s VAL 539 Cb -0.33 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3f8i s VAL 539 CO 0.38 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 175.09 3f8i s VAL 540 N 0.21 1.88 -0.17 2.92 1.01 -0.75 -0.89 120.40 124.61 3f8i s VAL 540 Ca -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 3f8i s VAL 540 Cb -0.16 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3f8i s VAL 540 CO 0.06 0.52 0.00 -0.13 0.00 0.00 0.00 175.10 175.56 3f8i s ARG 541 N 0.24 3.79 0.11 2.72 0.52 -0.33 -1.19 118.95 124.81 3f8i s ARG 541 Ca -0.13 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3f8i s ARG 541 Cb -0.16 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 3f8i s ARG 541 CO 0.06 0.25 0.20 1.21 0.02 0.00 0.00 175.30 177.05 3f8i s ASN 542 N 0.36 6.09 0.51 0.23 3.84 -0.31 -1.33 114.94 124.34 3f8i s ASN 542 Ca -0.01 0.13 0.28 0.00 0.21 0.00 0.00 52.86 53.47 3f8i s ASN 542 Cb -0.13 -1.79 1.38 0.00 -0.55 0.00 0.00 41.25 40.15 3f8i s ASN 542 CO 0.02 0.11 2.03 0.00 -2.79 0.00 0.00 177.10 176.47 3f8i h MET 543 N 2.69 0.00 0.00 0.43 -0.00 -1.45 -2.46 114.93 114.14 3f8i h MET 543 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.22 3f8i h MET 543 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.78 3f8i h MET 543 CO 0.70 0.13 -0.05 0.87 -0.00 0.00 0.00 176.91 178.56 3f8i h LYS 544 N 0.00 0.00 0.00 -0.10 1.57 -1.86 0.80 116.57 116.97 3f8i h LYS 544 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f8i h LYS 544 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3f8i h LYS 544 CO 0.02 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 3f8i n GLY 545 N -1.11 -0.59 0.20 3.86 0.00 -0.93 -2.86 105.19 103.76 3f8i n GLY 545 Ca -0.03 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3f8i n GLY 545 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f8i h GLY 546 N 1.97 0.00 2.00 -0.02 0.00 -1.02 -1.46 103.07 104.54 3f8i h GLY 546 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3f8i h GLY 546 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 3f8i h LYS 547 N 0.00 0.00 0.00 4.80 1.57 -1.74 -3.15 116.57 118.05 3f8i h LYS 547 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f8i h LYS 547 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3f8i h LYS 547 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 3f8i n HIS 548 N -2.71 0.00 -4.30 -1.35 8.25 -1.12 -5.09 115.22 108.90 3f8i n HIS 548 Ca -0.01 -0.02 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 3f8i n HIS 548 Cb 0.13 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.10 3f8i n HIS 548 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f8i s SER 549 N -0.05 1.03 0.00 0.41 0.15 -0.56 -4.88 113.70 109.80 3f8i s SER 549 Ca 0.00 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 56.63 3f8i s SER 549 Cb 0.00 -0.09 0.53 0.00 -1.71 0.00 0.00 66.02 64.75 3f8i s SER 549 CO 0.00 0.06 1.44 2.29 1.20 0.00 0.00 173.24 178.24 3f8i n LYS 550 N 2.64 2.29 -0.00 5.44 2.85 -1.26 -3.97 118.16 126.14 3f8i n LYS 550 Ca -0.15 -1.97 0.08 0.00 -1.05 0.00 0.00 58.31 55.23 3f8i n LYS 550 Cb 0.57 -1.46 -0.11 0.00 -0.65 0.00 0.00 35.03 33.37 3f8i n LYS 550 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3f8i n TYR 551 N 1.13 0.00 -2.39 5.58 4.01 -1.26 -4.99 117.16 119.25 3f8i n TYR 551 Ca 0.19 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.59 3f8i n TYR 551 Cb 0.50 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 3f8i n TYR 551 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f8i s ALA 552 N -2.86 2.80 0.58 -0.72 0.00 -1.25 -4.97 121.76 115.34 3f8i s ALA 552 Ca 0.02 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 3f8i s ALA 552 Cb 0.12 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3f8i s ALA 552 CO 0.72 -0.51 1.04 -1.25 0.00 0.00 0.00 175.76 175.76 3f8i s PRO 553 N -3.39 3.47 0.37 0.00 0.04 -1.26 -4.90 135.00 129.33 3f8i s PRO 553 Ca 0.68 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.92 3f8i s PRO 553 Cb -0.18 -2.06 0.71 0.00 0.04 0.00 0.00 34.50 33.02 3f8i s PRO 553 CO 0.24 -0.68 1.92 0.00 0.04 0.00 0.00 177.00 178.53 3f8i h ALA 554 N 0.54 1.48 -2.72 8.56 0.00 -1.95 -3.36 119.26 121.81 3f8i h ALA 554 Ca -0.47 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.09 3f8i h ALA 554 Cb 1.21 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 3f8i h ALA 554 CO 0.58 0.37 -0.70 -2.00 0.00 0.00 0.00 179.25 177.51 3f8i s GLU 555 N -4.98 0.49 5.30 0.00 2.12 -1.26 -4.89 118.70 115.48 3f8i s GLU 555 Ca -0.07 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.37 3f8i s GLU 555 Cb 0.16 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.58 3f8i s GLU 555 CO 0.75 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.83 3f8i n GLY 556 N 0.97 2.83 3.14 -1.50 0.00 -1.26 -4.69 105.19 104.69 3f8i n GLY 556 Ca -0.20 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 3f8i n GLY 556 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f8i s ASN 557 N -4.00 1.87 -0.04 1.61 0.01 0.64 -1.60 114.94 113.43 3f8i s ASN 557 Ca 0.00 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 3f8i s ASN 557 Cb 0.00 -0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.46 3f8i s ASN 557 CO 0.00 0.19 -0.09 -0.60 -1.51 0.00 0.00 177.10 175.09 3f8i s ARG 558 N -0.41 1.09 -0.25 -0.60 3.52 -0.44 -1.55 118.95 120.31 3f8i s ARG 558 Ca 0.06 -0.30 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 3f8i s ARG 558 Cb -0.06 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 3f8i s ARG 558 CO -0.00 0.07 0.91 -0.47 -0.81 0.00 0.00 175.30 174.99 3f8i s TYR 559 N 0.40 3.31 -2.29 5.12 5.04 -0.69 -1.18 117.35 127.05 3f8i s TYR 559 Ca -0.07 1.23 0.22 0.00 -2.44 0.00 0.00 57.07 56.01 3f8i s TYR 559 Cb -0.11 -3.17 0.07 0.00 0.35 0.00 0.00 41.96 39.10 3f8i s TYR 559 CO 0.01 -0.46 1.11 -0.25 -1.34 0.00 0.00 175.55 174.63 3f8i n ASP 560 N 6.17 2.34 0.00 4.32 8.00 -0.07 -1.06 116.55 136.24 3f8i n ASP 560 Ca 0.08 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.91 3f8i n ASP 560 Cb 0.47 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 3f8i n ASP 560 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f8i n GLY 561 N 1.32 -0.15 3.74 0.44 0.00 -1.24 -4.83 105.19 104.47 3f8i n GLY 561 Ca 0.11 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 3f8i n GLY 561 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f8i s ILE 562 N 0.00 5.30 0.22 -0.61 -1.09 -1.26 -1.32 121.20 122.44 3f8i s ILE 562 Ca 0.00 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 59.06 3f8i s ILE 562 Cb 0.00 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 3f8i s ILE 562 CO 0.00 0.40 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.67 3f8i s TYR 563 N 0.36 1.80 0.05 3.97 2.02 -0.43 0.04 117.35 125.15 3f8i s TYR 563 Ca 0.17 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3f8i s TYR 563 Cb -0.13 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 3f8i s TYR 563 CO 0.04 0.38 -0.10 0.15 -1.57 0.00 0.00 175.55 174.45 3f8i s LYS 564 N -3.65 0.65 -0.52 -0.62 1.02 0.90 -1.09 119.74 116.43 3f8i s LYS 564 Ca 0.24 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 55.20 3f8i s LYS 564 Cb -0.00 -0.53 0.03 0.00 -0.52 0.00 0.00 37.83 36.81 3f8i s LYS 564 CO 0.08 0.12 1.08 0.08 -0.92 0.00 0.00 175.35 175.79 3f8i s VAL 565 N -1.17 4.22 0.12 3.17 1.01 -1.26 -0.94 120.40 125.56 3f8i s VAL 565 Ca -0.05 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 3f8i s VAL 565 Cb -0.09 -4.60 -0.20 0.00 0.00 0.00 0.00 36.38 31.48 3f8i s VAL 565 CO 0.01 -1.11 1.28 0.58 0.00 0.00 0.00 175.10 175.86 3f8i h VAL 566 N 6.14 1.45 -1.40 2.92 2.07 -1.26 -3.39 116.25 122.78 3f8i h VAL 566 Ca -0.24 -2.66 0.14 0.00 0.82 0.00 0.00 66.70 64.76 3f8i h VAL 566 Cb 1.06 2.57 -0.24 0.00 -1.52 0.00 0.00 31.29 33.16 3f8i h VAL 566 CO 1.12 0.78 0.69 -1.59 0.02 0.00 0.00 177.57 178.60 3f8i s LYS 567 N -3.09 0.41 0.06 1.57 -2.85 -1.23 -1.65 119.74 112.96 3f8i s LYS 567 Ca -0.05 0.08 0.03 0.00 -1.00 0.00 0.00 55.97 55.04 3f8i s LYS 567 Cb 0.09 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 3f8i s LYS 567 CO 0.86 -0.13 -0.09 1.52 0.10 0.00 0.00 175.35 177.61 3f8i s TYR 568 N -1.16 0.88 0.08 1.78 -0.85 -0.95 -0.47 117.35 116.66 3f8i s TYR 568 Ca 0.02 -0.56 -0.26 0.00 -0.52 0.00 0.00 57.07 55.75 3f8i s TYR 568 Cb -0.01 -0.50 0.08 0.00 0.38 0.00 0.00 41.96 41.91 3f8i s TYR 568 CO -0.02 -0.04 0.88 1.67 -1.52 0.00 0.00 175.55 176.51 3f8i s TRP 569 N -1.74 -0.28 0.14 -3.49 -2.14 -0.46 -2.02 118.94 108.95 3f8i s TRP 569 Ca -0.04 0.06 0.06 0.00 2.66 0.00 0.00 56.10 58.84 3f8i s TRP 569 Cb -0.07 0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 30.84 3f8i s TRP 569 CO 0.00 -0.71 0.04 -1.25 -2.66 0.00 0.00 176.95 172.38 3f8i s PRO 570 N -3.28 2.61 0.06 3.25 0.04 -1.26 -1.02 135.00 135.40 3f8i s PRO 570 Ca 0.07 -0.94 -0.28 0.00 0.04 0.00 0.00 61.00 59.90 3f8i s PRO 570 Cb -0.01 -2.51 0.09 0.00 0.04 0.00 0.00 34.50 32.10 3f8i s PRO 570 CO -0.05 0.49 1.05 -1.83 0.04 0.00 0.00 177.00 176.71 3f8i s GLU 571 N -2.77 0.86 0.07 4.56 -1.05 -0.91 -4.99 118.70 114.46 3f8i s GLU 571 Ca 0.28 -0.45 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 3f8i s GLU 571 Cb -0.10 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 3f8i s GLU 571 CO 0.20 -0.39 1.16 1.03 0.95 0.00 0.00 175.26 178.21 3f8i s ARG 572 N -2.98 4.46 0.61 -4.83 1.81 -1.26 -0.59 118.95 116.18 3f8i s ARG 572 Ca 0.11 1.72 -0.04 0.00 -1.72 0.00 0.00 55.73 55.81 3f8i s ARG 572 Cb 0.00 -3.35 0.13 0.00 -0.45 0.00 0.00 34.95 31.28 3f8i s ARG 572 CO -0.02 -0.20 0.83 0.41 -0.68 0.00 0.00 175.30 175.64 3f8i n GLY 573 N 3.06 0.08 0.44 -3.53 0.00 0.71 -4.85 105.19 101.09 3f8i n GLY 573 Ca 0.08 -1.92 0.26 0.00 0.00 0.00 0.00 46.02 44.44 3f8i n GLY 573 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8i h LYS 574 N 0.00 0.00 -0.00 1.61 1.57 -1.95 0.21 116.57 118.01 3f8i h LYS 574 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3f8i h LYS 574 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3f8i h LYS 574 CO 0.26 0.00 -0.14 -1.13 -0.57 0.00 0.00 179.45 177.87 3f8i n SER 575 N -4.18 0.47 0.00 0.86 3.41 -1.26 -4.93 113.62 107.99 3f8i n SER 575 Ca 0.16 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3f8i n SER 575 Cb 0.87 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3f8i n SER 575 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f8i n GLY 576 N 1.32 3.17 3.88 5.00 0.00 0.75 -5.03 105.19 114.28 3f8i n GLY 576 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3f8i n GLY 576 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f8i s PHE 577 N -2.39 3.56 0.27 1.61 0.08 -1.26 -4.58 117.98 115.28 3f8i s PHE 577 Ca 0.00 1.09 -0.29 0.00 0.12 0.00 0.00 56.93 57.84 3f8i s PHE 577 Cb 0.00 -2.63 -0.09 0.00 -0.57 0.00 0.00 43.02 39.73 3f8i s PHE 577 CO 0.00 -0.62 1.06 -1.17 -0.10 0.00 0.00 175.22 174.39 3f8i s LEU 578 N -5.06 4.57 0.05 -0.37 2.96 -1.26 -0.21 118.68 119.35 3f8i s LEU 578 Ca 0.53 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.63 3f8i s LEU 578 Cb -0.11 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 3f8i s LEU 578 CO 0.51 -0.08 -0.04 0.68 -1.32 0.00 0.00 176.35 176.10 3f8i s VAL 579 N -1.18 0.30 -0.14 1.68 -7.23 0.25 -1.71 120.40 112.37 3f8i s VAL 579 Ca 0.44 -1.45 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 3f8i s VAL 579 Cb -0.30 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 3f8i s VAL 579 CO 0.39 -0.74 0.25 0.26 -0.31 0.00 0.00 175.10 174.95 3f8i s TRP 580 N -2.76 3.52 0.07 2.82 0.52 -1.26 -2.14 118.94 119.69 3f8i s TRP 580 Ca -0.02 0.59 0.09 0.00 0.02 0.00 0.00 56.10 56.78 3f8i s TRP 580 Cb -0.00 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 3f8i s TRP 580 CO -0.05 0.40 -0.24 1.03 0.02 0.00 0.00 176.95 178.11 3f8i s ARG 581 N -0.05 1.47 -0.01 4.98 0.52 -0.19 0.08 118.95 125.76 3f8i s ARG 581 Ca 0.16 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 3f8i s ARG 581 Cb -0.13 -1.70 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 3f8i s ARG 581 CO 0.04 0.42 -0.13 0.71 0.02 0.00 0.00 175.30 176.37 3f8i s TYR 582 N -0.91 1.14 -0.30 -0.53 2.02 0.50 -1.36 117.35 117.91 3f8i s TYR 582 Ca 0.10 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 3f8i s TYR 582 Cb -0.10 -0.73 -0.00 0.00 -0.40 0.00 0.00 41.96 40.73 3f8i s TYR 582 CO 0.03 -0.02 0.12 -1.17 -1.57 0.00 0.00 175.55 172.95 3f8i s LEU 583 N -0.33 3.99 -0.04 -1.29 2.96 0.38 -0.59 118.68 123.75 3f8i s LEU 583 Ca 0.05 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3f8i s LEU 583 Cb -0.05 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3f8i s LEU 583 CO -0.00 -0.18 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.03 3f8i s LEU 584 N 1.58 3.28 -0.03 -0.68 1.02 -0.11 -0.69 118.68 123.05 3f8i s LEU 584 Ca 0.04 -0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.21 3f8i s LEU 584 Cb -0.17 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 3f8i s LEU 584 CO 0.05 0.33 -0.18 -0.60 0.02 0.00 0.00 176.35 175.97 3f8i s ARG 585 N -1.10 1.66 0.25 1.70 3.52 -0.11 -2.21 118.95 122.65 3f8i s ARG 585 Ca 0.15 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 3f8i s ARG 585 Cb -0.11 -1.53 -0.09 0.00 -1.56 0.00 0.00 34.95 31.66 3f8i s ARG 585 CO 0.05 0.34 1.24 0.50 -0.81 0.00 0.00 175.30 176.61 3f8i s ARG 586 N -0.24 4.46 -0.41 5.12 3.52 -0.28 -0.07 118.95 131.05 3f8i s ARG 586 Ca 0.02 2.01 0.08 0.00 -0.13 0.00 0.00 55.73 57.71 3f8i s ARG 586 Cb -0.09 -3.17 0.26 0.00 -1.56 0.00 0.00 34.95 30.39 3f8i s ARG 586 CO 0.01 -0.10 0.62 -3.47 -0.81 0.00 0.00 175.30 171.55 3f8i n ASP 587 N 1.79 -0.47 -4.06 -2.12 4.64 0.11 -4.89 116.55 111.54 3f8i n ASP 587 Ca 0.03 -2.86 -0.18 0.00 -1.38 0.00 0.00 54.79 50.40 3f8i n ASP 587 Cb 0.43 -0.08 -0.14 0.00 -1.04 0.00 0.00 41.12 40.30 3f8i n ASP 587 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3f8i s ASP 588 N -1.37 1.18 0.39 1.67 -1.08 -1.24 -4.65 116.67 111.57 3f8i s ASP 588 Ca 0.34 -0.29 0.21 0.00 -0.52 0.00 0.00 52.55 52.29 3f8i s ASP 588 Cb 0.20 -0.09 0.46 0.00 -1.46 0.00 0.00 42.92 42.02 3f8i s ASP 588 CO -0.14 0.05 1.63 0.71 0.52 0.00 0.00 175.17 177.94 3f8i h THR 589 N 4.75 0.46 -3.75 1.71 1.35 -1.99 -3.45 112.91 111.99 3f8i h THR 589 Ca -0.33 -1.46 -0.49 0.00 -0.55 0.00 0.00 66.41 63.58 3f8i h THR 589 Cb 1.18 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 3f8i h THR 589 CO 0.47 0.24 0.19 -1.61 -0.25 0.00 0.00 175.52 174.56 3f8i s GLU 590 N -3.26 4.23 0.50 4.72 0.41 -1.26 -5.04 118.70 119.00 3f8i s GLU 590 Ca 0.04 0.93 -0.22 0.00 -0.41 0.00 0.00 54.97 55.32 3f8i s GLU 590 Cb 0.08 -2.62 -0.07 0.00 -1.78 0.00 0.00 34.13 29.74 3f8i s GLU 590 CO 0.68 0.23 1.18 -1.25 -0.49 0.00 0.00 175.26 175.61 3f8i s PRO 591 N -2.49 3.56 0.20 0.39 0.04 -1.26 -4.96 135.00 130.47 3f8i s PRO 591 Ca 0.51 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 63.01 3f8i s PRO 591 Cb -0.14 -2.27 -0.12 0.00 0.04 0.00 0.00 34.50 32.01 3f8i s PRO 591 CO 0.19 -0.72 1.70 0.39 0.04 0.00 0.00 177.00 178.60 3f8i n GLU 592 N -0.79 2.65 0.00 4.56 4.71 -1.26 -4.69 120.64 125.82 3f8i n GLU 592 Ca 0.09 0.95 0.00 0.00 -0.01 0.00 0.00 57.16 58.19 3f8i n GLU 592 Cb 0.49 -2.79 0.00 0.00 -1.01 0.00 0.00 31.44 28.13 3f8i n GLU 592 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3f8i n PRO 593 N 3.90 0.00 -0.01 3.49 -0.04 -1.26 -1.82 135.00 139.26 3f8i n PRO 593 Ca 0.16 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 3f8i n PRO 593 Cb 0.34 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.40 3f8i n PRO 593 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3f8i n TRP 594 N -1.20 0.02 -3.42 0.54 2.14 -1.26 -4.05 117.44 110.21 3f8i n TRP 594 Ca 0.00 -0.01 -0.20 0.00 2.07 0.00 0.00 57.50 59.35 3f8i n TRP 594 Cb 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 3f8i n TRP 594 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 3f8i s THR 595 N -1.97 4.29 0.22 -1.67 -4.23 -0.76 -4.91 115.64 106.61 3f8i s THR 595 Ca 0.28 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 59.87 3f8i s THR 595 Cb 0.20 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.68 3f8i s THR 595 CO 0.30 -0.25 1.80 0.08 -0.54 0.00 0.00 174.62 176.02 3f8i h ARG 596 N 0.80 0.67 -0.72 3.99 -0.00 -1.93 0.33 114.38 117.53 3f8i h ARG 596 Ca -0.47 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 59.44 3f8i h ARG 596 Cb 1.25 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.97 31.04 3f8i h ARG 596 CO 0.56 0.44 0.31 1.49 -0.00 0.00 0.00 179.97 182.77 3f8i h GLU 597 N 0.69 1.04 0.00 0.08 4.22 -1.94 -2.03 114.58 116.65 3f8i h GLU 597 Ca 0.32 -0.16 -0.19 0.00 0.08 0.00 0.00 59.36 59.41 3f8i h GLU 597 Cb 0.24 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3f8i h GLU 597 CO -0.20 0.83 -0.91 0.78 -2.18 0.00 0.00 179.01 177.33 3f8i h GLY 598 N 1.09 0.02 2.00 1.92 0.00 -1.26 -2.85 103.07 103.99 3f8i h GLY 598 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3f8i h GLY 598 CO -0.03 0.04 -0.30 0.50 0.00 0.00 0.00 176.54 176.76 3f8i h LYS 599 N 0.01 0.00 -0.07 4.80 1.57 -0.18 -2.56 116.57 120.14 3f8i h LYS 599 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3f8i h LYS 599 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.90 3f8i h LYS 599 CO 0.12 0.30 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.71 3f8i h ASP 600 N 0.00 0.26 -0.74 0.86 3.45 -1.30 -2.74 116.42 116.21 3f8i h ASP 600 Ca -0.00 -0.58 -0.01 0.00 0.43 0.00 0.00 57.03 56.87 3f8i h ASP 600 Cb 0.95 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.61 3f8i h ASP 600 CO 0.04 0.79 0.42 -0.09 -1.57 0.00 0.00 179.24 178.82 3f8i h ARG 601 N -0.27 1.03 -0.18 3.56 2.43 -1.42 0.96 114.38 120.50 3f8i h ARG 601 Ca -0.00 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3f8i h ARG 601 Cb 0.75 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3f8i h ARG 601 CO 0.03 0.75 -0.14 1.15 -1.51 0.00 0.00 179.97 180.26 3f8i h THR 602 N 1.04 1.19 -0.08 0.20 2.02 -1.48 -0.69 112.91 115.12 3f8i h THR 602 Ca 0.27 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 3f8i h THR 602 Cb 0.01 1.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3f8i h THR 602 CO -0.04 0.27 -0.66 -0.09 0.37 0.00 0.00 175.52 175.36 3f8i h ARG 603 N 0.27 0.58 -0.56 6.66 2.43 -0.98 -1.67 114.38 121.11 3f8i h ARG 603 Ca 0.05 -0.53 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 3f8i h ARG 603 Cb 0.41 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3f8i h ARG 603 CO 0.02 1.15 0.25 0.37 -1.51 0.00 0.00 179.97 180.26 3f8i h GLN 604 N 0.20 0.78 -0.35 0.20 4.15 -0.40 -1.66 115.11 118.03 3f8i h GLN 604 Ca -0.06 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3f8i h GLN 604 Cb 1.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.86 3f8i h GLN 604 CO 0.13 0.62 0.00 1.28 -1.93 0.00 0.00 178.83 178.93 3f8i n LEU 605 N -4.36 2.72 -2.82 -2.39 4.77 -0.31 -4.95 117.00 109.67 3f8i n LEU 605 Ca 0.05 -1.21 -0.15 0.00 -0.03 0.00 0.00 56.01 54.67 3f8i n LEU 605 Cb 0.14 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3f8i n LEU 605 CO 0.38 0.60 -0.09 0.61 -1.33 0.00 0.00 177.39 177.56 3f8i n GLY 606 N 1.35 -0.49 3.77 -0.72 0.00 -0.63 -4.91 105.19 103.55 3f8i n GLY 606 Ca 0.18 0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3f8i n GLY 606 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8i s LEU 607 N -5.88 4.33 0.16 0.99 1.43 -0.69 -5.02 118.68 113.98 3f8i s LEU 607 Ca 0.16 2.64 -0.08 0.00 -1.03 0.00 0.00 54.13 55.82 3f8i s LEU 607 Cb -0.08 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 3f8i s LEU 607 CO 0.20 -0.66 0.25 0.42 0.23 0.00 0.00 176.35 176.78 3f8i s THR 608 N -1.21 0.07 -0.01 5.49 -4.23 -1.26 -4.87 115.64 109.62 3f8i s THR 608 Ca 0.53 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 3f8i s THR 608 Cb -0.38 -1.84 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 3f8i s THR 608 CO 0.50 -0.34 1.96 0.80 -0.54 0.00 0.00 174.62 177.00 3f8i n MET 609 N -0.19 2.61 -3.44 3.99 1.56 -1.26 -4.47 117.12 115.92 3f8i n MET 609 Ca -0.08 0.95 -0.37 0.00 -0.27 0.00 0.00 57.70 57.93 3f8i n MET 609 Cb 0.63 -2.90 -0.06 0.00 2.15 0.00 0.00 33.22 33.04 3f8i n MET 609 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3f8i s GLN 610 N 4.44 4.19 0.26 2.12 -0.21 -0.82 -4.97 119.66 124.67 3f8i s GLN 610 Ca 0.91 0.32 0.10 0.00 0.02 0.00 0.00 55.36 56.71 3f8i s GLN 610 Cb -0.52 -3.37 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 3f8i s GLN 610 CO 0.45 0.34 -0.03 0.71 -2.12 0.00 0.00 175.29 174.64 3f8i s TYR 611 N 0.09 2.65 0.36 0.91 2.02 -1.26 -1.51 117.35 120.60 3f8i s TYR 611 Ca 0.22 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.42 3f8i s TYR 611 Cb -0.15 -1.17 -0.09 0.00 -0.40 0.00 0.00 41.96 40.14 3f8i s TYR 611 CO 0.09 0.63 1.24 -2.14 -1.57 0.00 0.00 175.55 173.80 3f8i s PRO 612 N -3.61 4.23 -0.23 -1.71 0.02 -1.26 -4.90 135.00 127.55 3f8i s PRO 612 Ca 0.31 2.05 -0.37 0.00 0.02 0.00 0.00 61.00 63.01 3f8i s PRO 612 Cb -0.06 -2.92 -0.14 0.00 0.02 0.00 0.00 34.50 31.40 3f8i s PRO 612 CO 0.19 -0.23 1.86 -0.85 -0.33 0.00 0.00 177.00 177.64 3f8i n GLU 613 N 0.52 1.48 0.00 5.54 0.00 -1.26 -0.21 120.64 126.71 3f8i n GLU 613 Ca 0.02 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.71 3f8i n GLU 613 Cb 0.44 -2.34 0.00 0.00 0.00 0.00 0.00 31.44 29.54 3f8i n GLU 613 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3f8i n GLY 614 N 4.64 3.31 0.30 -1.84 0.00 -1.26 -4.96 105.19 105.38 3f8i n GLY 614 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 3f8i n GLY 614 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3f8i h TYR 615 N 0.00 -0.74 -0.45 1.61 3.20 -0.95 -0.73 116.97 118.91 3f8i h TYR 615 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3f8i h TYR 615 Cb 0.00 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3f8i h TYR 615 CO 0.00 -0.35 0.28 -0.07 -1.64 0.00 0.00 178.16 176.37 3f8i h LEU 616 N -0.31 0.54 0.11 2.82 3.38 -1.93 -1.52 115.31 118.40 3f8i h LEU 616 Ca 0.12 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3f8i h LEU 616 Cb 0.49 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3f8i h LEU 616 CO -0.37 0.43 -0.14 -0.33 0.09 0.00 0.00 178.44 178.12 3f8i h GLU 617 N 0.60 -0.28 -0.95 1.13 5.08 -1.89 -2.07 114.58 116.19 3f8i h GLU 617 Ca 0.16 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.69 3f8i h GLU 617 Cb -0.01 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 3f8i h GLU 617 CO -0.03 -0.19 0.57 0.00 -1.00 0.00 0.00 179.01 178.36 3f8i h ALA 618 N 0.56 1.49 0.00 3.43 0.00 -0.94 0.13 119.26 123.93 3f8i h ALA 618 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3f8i h ALA 618 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3f8i h ALA 618 CO -0.05 0.05 -0.38 1.25 0.00 0.00 0.00 179.25 180.12 3f8i h LEU 619 N 0.82 0.00 0.04 0.00 5.85 -0.80 -0.68 115.31 120.53 3f8i h LEU 619 Ca 0.51 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3f8i h LEU 619 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3f8i h LEU 619 CO -0.33 0.38 -0.02 0.00 -0.34 0.00 0.00 178.44 178.13 3f8i h ALA 620 N 1.62 -0.05 -0.64 1.25 0.00 -0.34 -3.32 119.26 117.78 3f8i h ALA 620 Ca -0.00 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.88 3f8i h ALA 620 Cb 0.71 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 3f8i h ALA 620 CO 0.05 -0.06 -0.15 -2.95 0.00 0.00 0.00 179.25 176.14 3f8i h ASN 621 N -1.00 -0.58 0.00 0.00 -1.07 -0.86 -3.52 115.58 108.55 3f8i h ASN 621 Ca -0.01 0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.56 3f8i h ASN 621 Cb 0.32 0.39 0.00 0.00 -2.07 0.00 0.00 38.32 36.96 3f8i h ASN 621 CO 0.01 -0.21 0.00 2.29 0.07 0.00 0.00 177.43 179.59