#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w1h s ASN 411 N 0.00 6.56 0.07 -3.46 3.84 -1.26 -4.91 114.94 115.79 1w1h s ASN 411 Ca 0.00 0.69 0.08 0.00 0.21 0.00 0.00 52.86 53.84 1w1h s ASN 411 Cb 0.00 -2.33 0.38 0.00 -0.55 0.00 0.00 41.25 38.75 1w1h s ASN 411 CO 0.00 -0.35 1.24 2.30 -2.79 0.00 0.00 177.10 177.51 1w1h n ILE 412 N 5.13 1.58 -0.34 -5.21 -6.64 -1.26 -2.51 119.36 110.11 1w1h n ILE 412 Ca -0.01 0.49 0.36 0.00 -1.77 0.00 0.00 62.75 61.82 1w1h n ILE 412 Cb 0.49 -1.44 0.75 0.00 -1.44 0.00 0.00 39.64 38.00 1w1h n ILE 412 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 1w1h h GLU 413 N 0.00 0.00 -0.00 6.28 4.39 -1.94 -1.66 114.58 121.65 1w1h h GLU 413 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1w1h h GLU 413 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1w1h h GLU 413 CO 0.00 0.00 0.00 -0.56 -1.16 0.00 0.00 179.01 177.29 1w1h h GLN 414 N 0.00 0.00 -0.01 2.33 3.07 -1.91 -1.86 115.11 116.73 1w1h h GLN 414 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.33 1w1h h GLN 414 Cb 2.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.95 1w1h h GLN 414 CO -0.01 0.00 -0.29 0.66 0.09 0.00 0.00 178.83 179.28 1w1h n TYR 415 N -4.08 0.00 -4.00 0.06 4.01 -0.62 -4.89 117.16 107.64 1w1h n TYR 415 Ca -0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.36 1w1h n TYR 415 Cb 0.09 -0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 38.91 1w1h n TYR 415 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1w1h s ILE 416 N -2.49 4.42 -0.37 -0.72 1.01 -0.70 -0.41 121.20 121.94 1w1h s ILE 416 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1w1h s ILE 416 Cb 0.19 -3.01 0.11 0.00 0.01 0.00 0.00 42.46 39.76 1w1h s ILE 416 CO 0.53 0.42 0.10 -1.00 0.00 0.00 0.00 174.94 174.99 1w1h s HIS 417 N 0.83 3.68 -0.03 3.97 3.76 0.10 -5.00 115.29 122.61 1w1h s HIS 417 Ca 0.03 -2.92 -0.30 0.00 -0.15 0.00 0.00 55.06 51.72 1w1h s HIS 417 Cb -0.14 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1w1h s HIS 417 CO 0.02 -0.93 1.00 -0.51 -0.85 0.00 0.00 174.74 173.47 1w1h s ASP 418 N 0.95 7.32 -0.16 1.40 1.01 -1.26 -1.61 116.67 124.32 1w1h s ASP 418 Ca 0.11 1.64 0.14 0.00 0.71 0.00 0.00 52.55 55.15 1w1h s ASP 418 Cb -0.20 -2.57 -0.20 0.00 1.01 0.00 0.00 42.92 40.96 1w1h s ASP 418 CO -0.07 -0.33 0.05 0.18 0.21 0.00 0.00 175.17 175.22 1w1h n LEU 419 N 4.22 0.05 0.00 1.23 4.77 -0.10 -4.98 117.00 122.19 1w1h n LEU 419 Ca 0.07 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1w1h n LEU 419 Cb 0.50 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1w1h n LEU 419 CO 0.52 0.40 0.09 -0.90 -1.33 0.00 0.00 177.39 176.18 1w1h n ASP 420 N -2.60 -0.13 0.25 -1.43 5.68 -1.07 -4.99 116.55 112.26 1w1h n ASP 420 Ca -0.26 -1.05 0.12 0.00 -0.50 0.00 0.00 54.79 53.10 1w1h n ASP 420 Cb 1.02 0.21 0.66 0.00 -1.14 0.00 0.00 41.12 41.87 1w1h n ASP 420 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1w1h h SER 421 N 0.19 0.00 0.00 -1.12 4.64 -2.02 -1.78 113.55 113.46 1w1h h SER 421 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1w1h h SER 421 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1w1h h SER 421 CO 0.03 0.15 -0.17 -0.46 -0.87 0.00 0.00 176.83 175.51 1w1h n ASN 422 N -3.64 2.11 -3.72 4.97 2.04 -1.26 -5.02 115.26 110.74 1w1h n ASN 422 Ca -0.02 -3.32 -0.13 0.00 -0.44 0.00 0.00 54.58 50.67 1w1h n ASN 422 Cb 0.28 -0.46 -0.13 0.00 -2.53 0.00 0.00 39.78 36.93 1w1h n ASN 422 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1w1h s SER 423 N -2.96 -0.10 0.23 0.53 0.01 -0.67 -4.01 113.70 106.72 1w1h s SER 423 Ca 0.33 0.50 -0.15 0.00 1.31 0.00 0.00 55.95 57.95 1w1h s SER 423 Cb 0.30 0.42 0.01 0.00 0.21 0.00 0.00 66.02 66.97 1w1h s SER 423 CO -0.00 -0.18 0.50 0.72 0.41 0.00 0.00 173.24 174.69 1w1h s PHE 424 N 1.49 0.15 0.04 2.43 -0.12 -0.79 -0.93 117.98 120.25 1w1h s PHE 424 Ca -0.07 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 1w1h s PHE 424 Cb -0.11 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1w1h s PHE 424 CO -0.08 -0.98 -0.04 -1.83 -0.05 0.00 0.00 175.22 172.24 1w1h s GLU 425 N -3.96 0.48 -0.07 1.99 -1.05 -0.63 -1.39 118.70 114.08 1w1h s GLU 425 Ca 0.16 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1w1h s GLU 425 Cb -0.01 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 1w1h s GLU 425 CO 0.04 -0.05 0.02 -0.51 0.95 0.00 0.00 175.26 175.71 1w1h s LEU 426 N -2.07 3.68 0.25 1.83 1.43 0.62 -0.72 118.68 123.70 1w1h s LEU 426 Ca -0.06 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1w1h s LEU 426 Cb -0.03 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.18 1w1h s LEU 426 CO -0.04 0.36 1.17 -1.81 0.23 0.00 0.00 176.35 176.26 1w1h s ASP 427 N -1.09 7.11 -0.04 2.29 1.01 0.45 -4.96 116.67 121.45 1w1h s ASP 427 Ca 0.15 2.32 0.16 0.00 0.71 0.00 0.00 52.55 55.89 1w1h s ASP 427 Cb -0.11 -2.62 0.52 0.00 1.01 0.00 0.00 42.92 41.72 1w1h s ASP 427 CO 0.05 -0.30 1.42 0.18 0.21 0.00 0.00 175.17 176.73 1w1h n LEU 428 N 1.71 3.34 -2.15 1.23 4.77 -1.26 -4.45 117.00 120.20 1w1h n LEU 428 Ca 0.01 -1.68 -0.27 0.00 -0.03 0.00 0.00 56.01 54.05 1w1h n LEU 428 Cb 0.44 -0.43 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1w1h n LEU 428 CO 0.56 0.71 1.32 0.00 -1.33 0.00 0.00 177.39 178.65 1w1h n GLN 429 N 1.01 2.32 -3.43 3.23 3.00 -1.26 -4.97 117.38 117.29 1w1h n GLN 429 Ca 0.19 -2.71 -0.25 0.00 -0.01 0.00 0.00 57.00 54.22 1w1h n GLN 429 Cb 0.58 -2.06 -0.02 0.00 0.00 0.00 0.00 30.24 28.74 1w1h n GLN 429 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1w1h s PHE 430 N -3.10 3.49 0.79 1.08 -0.12 -1.26 -5.10 117.98 113.76 1w1h s PHE 430 Ca 0.53 0.39 -0.10 0.00 -0.05 0.00 0.00 56.93 57.70 1w1h s PHE 430 Cb 0.42 -1.92 0.10 0.00 -0.63 0.00 0.00 43.02 41.00 1w1h s PHE 430 CO 0.02 0.17 1.13 -1.54 -0.05 0.00 0.00 175.22 174.95 1w1h s SER 431 N -3.77 4.31 0.20 1.98 1.04 -1.26 -4.85 113.70 111.35 1w1h s SER 431 Ca 0.40 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 57.18 1w1h s SER 431 Cb -0.10 -0.88 0.12 0.00 0.10 0.00 0.00 66.02 65.26 1w1h s SER 431 CO 0.34 -1.96 1.72 -0.08 0.98 0.00 0.00 173.24 174.25 1w1h h GLU 432 N -0.95 1.16 -0.87 4.02 4.57 -1.99 0.22 114.58 120.74 1w1h h GLU 432 Ca -0.44 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.47 1w1h h GLU 432 Cb 1.30 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 1w1h h GLU 432 CO 0.55 1.01 0.56 -0.44 -1.18 0.00 0.00 179.01 179.50 1w1h h ASP 433 N 1.10 1.02 0.14 1.04 3.32 -2.00 -1.20 116.42 119.85 1w1h h ASP 433 Ca 0.23 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 1w1h h ASP 433 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1w1h h ASP 433 CO -0.00 0.76 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.32 1w1h h GLU 434 N 1.19 0.47 -0.77 3.56 5.08 -1.79 -2.59 114.58 119.74 1w1h h GLU 434 Ca 0.32 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1w1h h GLU 434 Cb -0.10 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1w1h h GLU 434 CO -0.06 0.95 0.46 -0.22 -1.00 0.00 0.00 179.01 179.14 1w1h h LYS 435 N 0.35 0.81 -0.50 2.33 3.64 -0.16 -0.36 116.57 122.68 1w1h h LYS 435 Ca -0.01 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1w1h h LYS 435 Cb 1.18 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1w1h h LYS 435 CO 0.11 0.54 0.11 -0.09 -2.27 0.00 0.00 179.45 177.85 1w1h h ARG 436 N 0.84 0.25 -0.18 1.90 2.43 -0.84 0.80 114.38 119.57 1w1h h ARG 436 Ca 0.34 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 1w1h h ARG 436 Cb 0.19 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1w1h h ARG 436 CO -0.18 0.16 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.04 1w1h h LEU 437 N 0.25 0.38 -0.41 3.80 3.38 -1.21 -0.47 115.31 121.04 1w1h h LEU 437 Ca 0.25 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1w1h h LEU 437 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1w1h h LEU 437 CO -0.31 0.70 -0.03 -0.07 0.09 0.00 0.00 178.44 178.82 1w1h h LEU 438 N 0.32 0.73 -0.93 1.67 3.38 -0.48 -1.77 115.31 118.23 1w1h h LEU 438 Ca 0.04 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1w1h h LEU 438 Cb 0.75 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1w1h h LEU 438 CO 0.06 0.88 0.20 -0.07 0.09 0.00 0.00 178.44 179.60 1w1h h LEU 439 N 0.56 0.92 -0.27 1.67 3.38 -0.66 -0.86 115.31 120.06 1w1h h LEU 439 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1w1h h LEU 439 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1w1h h LEU 439 CO 0.03 0.86 0.16 -0.08 0.09 0.00 0.00 178.44 179.50 1w1h h GLU 440 N 0.96 0.36 -0.73 1.13 4.81 -0.89 0.73 114.58 120.95 1w1h h GLU 440 Ca 0.21 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1w1h h GLU 440 Cb 0.27 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1w1h h GLU 440 CO -0.01 0.28 0.41 -0.22 -0.73 0.00 0.00 179.01 178.75 1w1h h LYS 441 N 0.34 1.01 0.33 1.92 3.64 -1.16 -0.49 116.57 122.16 1w1h h LYS 441 Ca 0.10 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1w1h h LYS 441 Cb 0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1w1h h LYS 441 CO -0.02 0.75 -0.16 0.37 -2.27 0.00 0.00 179.45 178.12 1w1h h GLN 442 N 1.01 -0.43 -0.62 1.90 4.15 -0.81 -0.44 115.11 119.87 1w1h h GLN 442 Ca 0.26 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 1w1h h GLN 442 Cb 0.02 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1w1h h GLN 442 CO -0.04 -0.25 0.15 0.00 -1.93 0.00 0.00 178.83 176.75 1w1h h ALA 443 N 0.16 1.10 0.00 3.38 0.00 -0.79 0.13 119.26 123.24 1w1h h ALA 443 Ca -0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1w1h h ALA 443 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1w1h h ALA 443 CO 0.07 0.60 -0.68 0.78 0.00 0.00 0.00 179.25 180.03 1w1h h GLY 444 N 1.03 0.00 0.00 0.00 0.00 -1.06 -3.41 103.07 99.63 1w1h h GLY 444 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1w1h h GLY 444 CO -0.00 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 177.15 1w1h n GLY 445 N 0.81 0.99 3.60 4.60 0.00 -0.18 -5.04 105.19 109.98 1w1h n GLY 445 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1w1h n GLY 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w1h s ASN 446 N -0.21 6.39 0.00 1.61 3.84 0.43 -4.94 114.94 122.06 1w1h s ASN 446 Ca 0.00 0.34 0.19 0.00 0.21 0.00 0.00 52.86 53.60 1w1h s ASN 446 Cb 0.00 -2.28 0.89 0.00 -0.55 0.00 0.00 41.25 39.31 1w1h s ASN 446 CO 0.00 -0.35 1.59 -0.81 -2.79 0.00 0.00 177.10 174.74 1w1h n PRO 447 N 5.61 0.16 0.00 0.43 -0.04 -1.26 -1.99 135.00 137.91 1w1h n PRO 447 Ca -0.04 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1w1h n PRO 447 Cb 0.49 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.70 1w1h n PRO 447 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1w1h n TRP 448 N -1.37 0.00 -0.31 0.54 7.02 -1.26 -4.43 117.44 117.63 1w1h n TRP 448 Ca 0.07 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.70 1w1h n TRP 448 Cb 0.18 -0.04 0.40 0.00 -2.42 0.00 0.00 31.31 29.42 1w1h n TRP 448 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1w1h h HIS 449 N 2.39 0.85 0.00 -5.99 2.76 -1.68 -1.48 115.15 112.00 1w1h h HIS 449 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1w1h h HIS 449 Cb 0.66 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1w1h h HIS 449 CO 0.00 0.22 0.00 -0.56 -1.30 0.00 0.00 177.93 176.29 1w1h h GLN 450 N 0.64 0.00 -0.00 5.26 3.07 -1.82 -2.66 115.11 119.59 1w1h h GLN 450 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1w1h h GLN 450 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 1w1h h GLN 450 CO -0.28 0.00 -0.55 1.19 0.09 0.00 0.00 178.83 179.28 1w1h n PHE 451 N -3.01 0.00 -1.07 0.06 3.72 -0.56 -4.50 117.46 112.10 1w1h n PHE 451 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 1w1h n PHE 451 Cb 0.13 -0.15 0.23 0.00 -0.94 0.00 0.00 39.48 38.75 1w1h n PHE 451 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1w1h n VAL 452 N -1.21 2.24 -3.65 -4.37 0.24 -1.00 -4.97 118.33 105.61 1w1h n VAL 452 Ca 0.07 -2.08 -0.27 0.00 -2.04 0.00 0.00 64.34 60.01 1w1h n VAL 452 Cb 0.35 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.48 1w1h n VAL 452 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1w1h n GLU 453 N -0.79 -5.08 -0.78 7.34 1.02 -1.26 -1.22 120.64 119.88 1w1h n GLU 453 Ca 0.22 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1w1h n GLU 453 Cb 0.86 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.79 1w1h n GLU 453 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1w1h n ASN 454 N -2.67 -1.73 -4.77 1.62 5.03 -1.26 -4.98 115.26 106.50 1w1h n ASN 454 Ca 0.01 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 1w1h n ASN 454 Cb 0.54 -1.98 -0.02 0.00 -1.02 0.00 0.00 39.78 37.30 1w1h n ASN 454 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1w1h s ASN 455 N -2.21 6.65 0.09 6.41 0.01 -0.36 -4.98 114.94 120.55 1w1h s ASN 455 Ca 0.00 2.49 -0.31 0.00 -0.71 0.00 0.00 52.86 54.33 1w1h s ASN 455 Cb 0.00 -2.63 -0.08 0.00 0.41 0.00 0.00 41.25 38.95 1w1h s ASN 455 CO 0.00 -0.60 1.58 -0.22 -1.51 0.00 0.00 177.10 176.35 1w1h s LEU 456 N -2.15 4.36 -0.25 0.60 2.96 -1.26 -4.79 118.68 118.14 1w1h s LEU 456 Ca 0.53 2.47 -0.29 0.00 -0.22 0.00 0.00 54.13 56.62 1w1h s LEU 456 Cb -0.35 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.78 1w1h s LEU 456 CO 0.45 -0.83 1.05 -0.63 -1.32 0.00 0.00 176.35 175.07 1w1h s ILE 457 N 2.05 4.63 -0.12 6.68 1.01 -1.26 -0.82 121.20 133.36 1w1h s ILE 457 Ca 0.71 1.94 0.15 0.00 0.00 0.00 0.00 60.65 63.46 1w1h s ILE 457 Cb -0.40 -4.33 -0.24 0.00 0.01 0.00 0.00 42.46 37.50 1w1h s ILE 457 CO 0.31 -0.26 0.37 0.18 0.00 0.00 0.00 174.94 175.54 1w1h n LEU 458 N 6.47 0.43 -3.67 2.97 4.77 0.81 -4.82 117.00 123.96 1w1h n LEU 458 Ca 0.12 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1w1h n LEU 458 Cb 0.46 0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.80 1w1h n LEU 458 CO 0.54 0.44 0.25 -0.75 -1.33 0.00 0.00 177.39 176.54 1w1h s LYS 459 N -2.55 0.63 0.03 3.23 2.20 -0.98 -0.28 119.74 122.02 1w1h s LYS 459 Ca -0.07 0.89 -0.06 0.00 -0.36 0.00 0.00 55.97 56.36 1w1h s LYS 459 Cb 0.07 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1w1h s LYS 459 CO 0.83 -0.11 0.12 0.00 -0.36 0.00 0.00 175.35 175.83 1w1h s MET 460 N 0.77 0.58 0.00 4.03 0.23 -0.48 -0.72 119.30 123.70 1w1h s MET 460 Ca -0.04 -0.65 0.00 0.00 -1.03 0.00 0.00 55.69 53.98 1w1h s MET 460 Cb -0.05 0.23 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 1w1h s MET 460 CO -0.06 -0.15 0.00 0.41 -2.03 0.00 0.00 175.02 173.20 1w1h n GLY 461 N 0.93 0.85 3.77 3.16 0.00 -0.82 -1.88 105.19 111.20 1w1h n GLY 461 Ca -0.20 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 1w1h n GLY 461 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w1h s PRO 462 N -2.00 4.37 0.07 1.61 0.04 -1.26 -0.84 135.00 136.98 1w1h s PRO 462 Ca 0.00 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1w1h s PRO 462 Cb 0.00 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 1w1h s PRO 462 CO 0.00 0.02 -0.05 0.14 0.04 0.00 0.00 177.00 177.14 1w1h s VAL 463 N -1.45 0.49 -0.30 -0.36 -7.23 0.13 -4.44 120.40 107.24 1w1h s VAL 463 Ca 0.52 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 1w1h s VAL 463 Cb -0.26 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 1w1h s VAL 463 CO 0.33 -0.80 0.13 -1.81 -0.31 0.00 0.00 175.10 172.63 1w1h s ASP 464 N -2.66 5.41 -0.25 4.85 1.01 0.87 -0.72 116.67 125.18 1w1h s ASP 464 Ca 0.05 -0.50 -0.11 0.00 0.71 0.00 0.00 52.55 52.69 1w1h s ASP 464 Cb 0.02 -1.97 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 1w1h s ASP 464 CO -0.05 -0.17 0.21 -0.75 0.21 0.00 0.00 175.17 174.62 1w1h s LYS 465 N 1.59 4.05 0.30 8.23 2.20 0.12 -0.60 119.74 135.63 1w1h s LYS 465 Ca 0.05 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 1w1h s LYS 465 Cb -0.17 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.48 1w1h s LYS 465 CO 0.05 -0.03 1.33 1.03 -0.36 0.00 0.00 175.35 177.38 1w1h s ARG 466 N 1.31 4.34 -0.29 4.03 0.52 -0.77 -0.93 118.95 127.16 1w1h s ARG 466 Ca 0.09 2.22 -0.24 0.00 -0.52 0.00 0.00 55.73 57.28 1w1h s ARG 466 Cb -0.14 -3.09 0.14 0.00 0.52 0.00 0.00 34.95 32.37 1w1h s ARG 466 CO 0.07 -0.24 1.11 0.21 0.02 0.00 0.00 175.30 176.47 1w1h s LYS 467 N -1.34 0.40 4.12 3.54 2.20 -1.26 -4.84 119.74 122.56 1w1h s LYS 467 Ca 0.52 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1w1h s LYS 467 Cb -0.40 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1w1h s LYS 467 CO 0.50 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1w1h n GLY 468 N 2.23 1.73 0.13 5.54 0.00 -1.26 -3.09 105.19 110.47 1w1h n GLY 468 Ca -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.43 1w1h n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1w1h h LEU 469 N 0.00 0.00 -7.82 0.99 3.38 -2.01 -3.47 115.31 106.38 1w1h h LEU 469 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1w1h h LEU 469 Cb 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.46 1w1h h LEU 469 CO 0.00 0.46 -0.75 -0.36 0.09 0.00 0.00 178.44 177.88 1w1h s PHE 470 N -2.99 0.38 0.65 1.13 0.08 -1.18 -5.14 117.98 110.91 1w1h s PHE 470 Ca 0.02 -0.07 -0.15 0.00 0.12 0.00 0.00 56.93 56.85 1w1h s PHE 470 Cb 0.08 -0.29 -0.01 0.00 -0.57 0.00 0.00 43.02 42.24 1w1h s PHE 470 CO 0.76 -0.03 1.10 0.00 -0.10 0.00 0.00 175.22 176.95 1w1h s ALA 471 N 0.12 2.51 -0.15 5.36 0.00 -1.26 -4.30 121.76 124.03 1w1h s ALA 471 Ca -0.01 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 1w1h s ALA 471 Cb -0.04 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1w1h s ALA 471 CO -0.00 -1.21 -0.04 1.03 0.00 0.00 0.00 175.76 175.53 1w1h s ARG 472 N -4.08 3.61 -0.00 0.00 1.81 -0.11 -4.82 118.95 115.35 1w1h s ARG 472 Ca 0.67 -0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 53.85 1w1h s ARG 472 Cb -0.20 -2.88 -0.04 0.00 -0.45 0.00 0.00 34.95 31.38 1w1h s ARG 472 CO 0.41 0.27 1.13 0.50 -0.68 0.00 0.00 175.30 176.92 1w1h s ARG 473 N 0.29 4.44 0.08 3.54 6.06 -1.26 -0.71 118.95 131.39 1w1h s ARG 473 Ca -0.04 1.62 0.04 0.00 -2.50 0.00 0.00 55.73 54.85 1w1h s ARG 473 Cb -0.14 -3.45 -0.03 0.00 0.06 0.00 0.00 34.95 31.39 1w1h s ARG 473 CO 0.03 -0.26 -0.11 1.03 -2.50 0.00 0.00 175.30 173.48 1w1h s ARG 474 N 1.46 0.80 -0.24 5.12 1.81 0.10 -4.49 118.95 123.51 1w1h s ARG 474 Ca 0.55 -1.04 -0.18 0.00 -1.72 0.00 0.00 55.73 53.34 1w1h s ARG 474 Cb -0.25 -0.62 -0.03 0.00 -0.45 0.00 0.00 34.95 33.60 1w1h s ARG 474 CO 0.26 0.12 0.53 -1.14 -0.68 0.00 0.00 175.30 174.38 1w1h s GLN 475 N -2.27 4.10 -0.10 3.54 2.00 -0.08 -0.69 119.66 126.17 1w1h s GLN 475 Ca 0.01 0.37 -0.11 0.00 -2.00 0.00 0.00 55.36 53.63 1w1h s GLN 475 Cb -0.06 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 30.07 1w1h s GLN 475 CO 0.01 -0.31 0.26 -1.17 -0.50 0.00 0.00 175.29 173.59 1w1h s LEU 476 N 2.16 4.37 -0.13 3.68 2.96 -0.02 -1.00 118.68 130.69 1w1h s LEU 476 Ca 0.22 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.74 1w1h s LEU 476 Cb -0.16 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1w1h s LEU 476 CO 0.09 0.29 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.62 1w1h s LEU 477 N -0.57 1.16 -0.21 -0.68 1.02 0.15 -1.95 118.68 117.60 1w1h s LEU 477 Ca 0.18 -0.45 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 1w1h s LEU 477 Cb -0.14 -0.71 -0.04 0.00 0.02 0.00 0.00 46.19 45.32 1w1h s LEU 477 CO 0.07 -0.20 0.39 -0.22 0.02 0.00 0.00 176.35 176.41 1w1h s LEU 478 N 1.78 4.14 0.19 1.79 2.96 0.10 -0.70 118.68 128.94 1w1h s LEU 478 Ca 0.02 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1w1h s LEU 478 Cb -0.14 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1w1h s LEU 478 CO -0.07 -0.08 0.04 0.42 -1.32 0.00 0.00 176.35 175.33 1w1h s THR 479 N 1.38 0.53 0.35 3.68 -4.23 -0.06 -0.13 115.64 117.16 1w1h s THR 479 Ca 0.18 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.50 1w1h s THR 479 Cb -0.15 -2.25 -0.16 0.00 1.34 0.00 0.00 72.50 71.29 1w1h s THR 479 CO 0.08 -0.34 0.18 1.21 -0.54 0.00 0.00 174.62 175.22 1w1h n GLU 480 N -0.27 0.00 0.00 3.99 2.13 0.00 -1.70 120.64 124.79 1w1h n GLU 480 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1w1h n GLU 480 Cb 0.64 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.37 1w1h n GLU 480 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1w1h n GLY 481 N 2.21 2.36 3.91 8.31 0.00 -1.26 -3.65 105.19 117.06 1w1h n GLY 481 Ca 0.13 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1w1h n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w1h s PRO 482 N 0.00 2.94 0.03 1.61 0.04 -1.26 -5.16 135.00 133.19 1w1h s PRO 482 Ca 0.00 0.11 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1w1h s PRO 482 Cb 0.00 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1w1h s PRO 482 CO 0.00 -0.75 0.05 -1.01 0.04 0.00 0.00 177.00 175.32 1w1h s HIS 483 N -3.06 0.22 -0.31 0.56 3.76 -0.69 -4.86 115.29 110.91 1w1h s HIS 483 Ca 0.55 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.99 1w1h s HIS 483 Cb -0.11 -0.16 0.09 0.00 1.11 0.00 0.00 32.58 33.51 1w1h s HIS 483 CO 0.47 -0.29 0.03 -0.51 -0.85 0.00 0.00 174.74 173.59 1w1h s LEU 484 N -1.81 3.86 0.05 0.89 1.43 -1.26 -0.88 118.68 120.97 1w1h s LEU 484 Ca -0.10 -1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 51.08 1w1h s LEU 484 Cb -0.05 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1w1h s LEU 484 CO -0.03 -0.35 0.31 -0.31 0.23 0.00 0.00 176.35 176.20 1w1h s TYR 485 N 1.13 3.55 -0.07 0.29 2.02 0.12 -0.70 117.35 123.68 1w1h s TYR 485 Ca 0.07 0.58 0.02 0.00 -0.37 0.00 0.00 57.07 57.37 1w1h s TYR 485 Cb -0.19 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1w1h s TYR 485 CO -0.11 0.56 -0.13 1.52 -1.57 0.00 0.00 175.55 175.81 1w1h s TYR 486 N -1.41 1.59 -0.04 2.71 1.13 -0.00 -0.68 117.35 120.65 1w1h s TYR 486 Ca 0.32 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.43 1w1h s TYR 486 Cb -0.13 -1.16 -0.02 0.00 -1.10 0.00 0.00 41.96 39.55 1w1h s TYR 486 CO 0.19 -0.31 -0.23 0.08 -2.51 0.00 0.00 175.55 172.77 1w1h s VAL 487 N 0.69 2.29 -0.40 -3.49 1.01 -0.17 -0.82 120.40 119.50 1w1h s VAL 487 Ca -0.14 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 1w1h s VAL 487 Cb -0.16 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1w1h s VAL 487 CO 0.04 0.58 1.08 -0.62 0.00 0.00 0.00 175.10 176.18 1w1h s ASP 488 N -0.52 6.75 0.46 3.32 -1.08 0.01 -0.90 116.67 124.72 1w1h s ASP 488 Ca 0.07 0.70 0.26 0.00 -0.52 0.00 0.00 52.55 53.05 1w1h s ASP 488 Cb -0.11 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.72 1w1h s ASP 488 CO 0.00 -1.06 1.82 1.55 0.52 0.00 0.00 175.17 178.00 1w1h h PRO 489 N 8.69 0.00 0.09 4.34 0.13 -1.87 -0.19 132.00 143.19 1w1h h PRO 489 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1w1h h PRO 489 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1w1h h PRO 489 CO 1.07 0.16 -0.04 0.28 -0.23 0.00 0.00 178.00 179.24 1w1h h VAL 490 N 0.00 0.94 -0.01 1.56 2.07 -1.91 -3.33 116.25 115.56 1w1h h VAL 490 Ca -0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1w1h h VAL 490 Cb 0.76 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1w1h h VAL 490 CO 0.02 0.28 -0.18 0.59 0.02 0.00 0.00 177.57 178.30 1w1h n ASN 491 N -4.82 1.10 -3.41 0.57 3.02 -1.23 -4.96 115.26 105.53 1w1h n ASN 491 Ca -0.07 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.29 1w1h n ASN 491 Cb 0.27 0.09 0.07 0.00 -0.61 0.00 0.00 39.78 39.60 1w1h n ASN 491 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1w1h n LYS 492 N -0.47 -4.26 -3.75 3.52 4.76 -0.11 -5.00 118.16 112.85 1w1h n LYS 492 Ca 0.14 0.80 -0.12 0.00 -2.87 0.00 0.00 58.31 56.26 1w1h n LYS 492 Cb 0.34 -5.64 -0.12 0.00 -1.84 0.00 0.00 35.03 27.77 1w1h n LYS 492 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1w1h s VAL 493 N -3.42 -0.02 0.19 -0.18 0.11 -1.07 -5.01 120.40 110.99 1w1h s VAL 493 Ca 0.22 0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 59.04 1w1h s VAL 493 Cb -0.04 -0.36 -0.11 0.00 -1.53 0.00 0.00 36.38 34.34 1w1h s VAL 493 CO 0.75 0.04 1.62 -0.22 -3.33 0.00 0.00 175.10 173.96 1w1h s LEU 494 N 0.79 4.37 -0.16 2.54 2.96 -1.26 -0.81 118.68 127.11 1w1h s LEU 494 Ca -0.05 2.72 0.16 0.00 -0.22 0.00 0.00 54.13 56.74 1w1h s LEU 494 Cb -0.07 -3.60 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1w1h s LEU 494 CO -0.05 -0.88 0.21 0.29 -1.32 0.00 0.00 176.35 174.61 1w1h n LYS 495 N 3.90 0.68 -3.30 1.98 4.76 -0.00 -4.87 118.16 121.31 1w1h n LYS 495 Ca 0.14 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1w1h n LYS 495 Cb 0.37 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1w1h n LYS 495 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1w1h n GLY 496 N 1.71 -1.54 3.15 0.72 0.00 -1.10 -5.02 105.19 103.11 1w1h n GLY 496 Ca -0.29 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 1w1h n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w1h s GLU 497 N -1.60 0.99 -0.24 1.61 2.02 -1.26 -0.82 118.70 119.40 1w1h s GLU 497 Ca 0.00 -0.75 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 1w1h s GLU 497 Cb 0.00 -1.01 -0.00 0.00 0.10 0.00 0.00 34.13 33.22 1w1h s GLU 497 CO 0.00 0.25 0.89 0.42 0.02 0.00 0.00 175.26 176.84 1w1h s ILE 498 N -0.80 4.79 0.22 -1.63 1.01 0.12 -5.00 121.20 119.92 1w1h s ILE 498 Ca 0.02 1.69 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 1w1h s ILE 498 Cb -0.08 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 1w1h s ILE 498 CO 0.01 -0.11 1.29 -2.16 0.00 0.00 0.00 174.94 173.97 1w1h s PRO 499 N 2.95 4.41 0.04 2.79 0.04 -1.26 -4.15 135.00 139.81 1w1h s PRO 499 Ca 0.37 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.31 1w1h s PRO 499 Cb -0.15 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1w1h s PRO 499 CO 0.07 -0.20 0.46 -1.58 0.04 0.00 0.00 177.00 175.80 1w1h s TRP 500 N -0.19 3.72 0.26 0.56 0.52 -1.26 -4.87 118.94 117.68 1w1h s TRP 500 Ca 0.54 1.05 -0.21 0.00 0.02 0.00 0.00 56.10 57.50 1w1h s TRP 500 Cb -0.36 -2.34 0.04 0.00 -1.15 0.00 0.00 33.47 29.66 1w1h s TRP 500 CO 0.41 0.60 0.82 -1.54 0.02 0.00 0.00 176.95 177.25 1w1h s SER 501 N -1.22 -0.17 0.59 2.95 1.04 -1.26 -5.00 113.70 110.63 1w1h s SER 501 Ca 0.27 -0.66 0.29 0.00 0.48 0.00 0.00 55.95 56.34 1w1h s SER 501 Cb -0.17 0.67 1.74 0.00 0.10 0.00 0.00 66.02 68.36 1w1h s SER 501 CO 0.16 -1.27 2.18 -0.61 0.98 0.00 0.00 173.24 174.68 1w1h h GLN 502 N 2.00 0.00 -0.00 4.02 5.75 -2.00 -1.85 115.11 123.03 1w1h h GLN 502 Ca -0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 1w1h h GLN 502 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1w1h h GLN 502 CO 0.28 0.00 -0.24 0.39 -2.65 0.00 0.00 178.83 176.60 1w1h n GLU 503 N -3.83 0.18 -1.84 1.69 4.71 -1.26 -4.87 120.64 115.41 1w1h n GLU 503 Ca -0.01 -0.07 -0.42 0.00 -0.01 0.00 0.00 57.16 56.66 1w1h n GLU 503 Cb 0.20 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.11 1w1h n GLU 503 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1w1h s LEU 504 N -2.87 4.36 -0.04 -4.62 0.20 -0.70 -4.70 118.68 110.31 1w1h s LEU 504 Ca 0.16 2.84 -0.02 0.00 0.69 0.00 0.00 54.13 57.81 1w1h s LEU 504 Cb 0.19 -3.62 0.03 0.00 -0.43 0.00 0.00 46.19 42.35 1w1h s LEU 504 CO 0.59 -0.86 0.07 -0.13 -0.29 0.00 0.00 176.35 175.73 1w1h s ARG 505 N -0.14 -0.05 0.40 1.98 1.81 -0.40 -4.96 118.95 117.59 1w1h s ARG 505 Ca 0.64 0.35 -0.14 0.00 -1.72 0.00 0.00 55.73 54.86 1w1h s ARG 505 Cb -0.46 -0.41 -0.08 0.00 -0.45 0.00 0.00 34.95 33.55 1w1h s ARG 505 CO 0.44 -0.28 0.81 -1.25 -0.68 0.00 0.00 175.30 174.34 1w1h s PRO 506 N 1.87 3.93 -0.14 3.54 0.04 -1.26 -0.48 135.00 142.49 1w1h s PRO 506 Ca 0.01 0.68 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 1w1h s PRO 506 Cb -0.12 -2.34 0.06 0.00 0.04 0.00 0.00 34.50 32.14 1w1h s PRO 506 CO -0.03 -0.01 0.31 -2.00 0.04 0.00 0.00 177.00 175.30 1w1h s GLU 507 N -3.54 0.24 -0.36 4.56 2.12 -0.03 -4.95 118.70 116.74 1w1h s GLU 507 Ca 0.55 0.73 -0.19 0.00 0.36 0.00 0.00 54.97 56.42 1w1h s GLU 507 Cb -0.10 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.29 1w1h s GLU 507 CO 0.25 -0.22 0.57 0.00 -0.54 0.00 0.00 175.26 175.33 1w1h s ALA 508 N 1.88 3.46 0.02 6.30 0.00 -1.26 -0.19 121.76 131.97 1w1h s ALA 508 Ca -0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 1w1h s ALA 508 Cb -0.11 -3.10 -0.25 0.00 0.00 0.00 0.00 23.12 19.66 1w1h s ALA 508 CO -0.10 -1.31 1.09 -0.22 0.00 0.00 0.00 175.76 175.22 1w1h h LYS 509 N 8.49 0.49 0.00 0.00 1.63 -1.33 -3.49 116.57 122.35 1w1h h LYS 509 Ca -0.27 -0.57 -0.00 0.00 -0.85 0.00 0.00 60.65 58.96 1w1h h LYS 509 Cb 1.12 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1w1h h LYS 509 CO 0.81 1.21 0.03 0.27 -3.45 0.00 0.00 179.45 178.31 1w1h n ASN 510 N -4.07 -0.21 0.31 4.20 0.23 -1.10 -4.98 115.26 109.65 1w1h n ASN 510 Ca -0.11 -1.14 0.19 0.00 -0.53 0.00 0.00 54.58 52.99 1w1h n ASN 510 Cb 0.78 0.35 1.01 0.00 -2.08 0.00 0.00 39.78 39.84 1w1h n ASN 510 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 1w1h h PHE 511 N 1.09 0.00 0.00 -2.53 -0.00 -1.95 -3.19 116.94 110.37 1w1h h PHE 511 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.94 1w1h h PHE 511 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.07 1w1h h PHE 511 CO 0.00 0.02 0.00 1.63 -0.00 0.00 0.00 178.31 179.96 1w1h n LYS 512 N -3.28 0.58 -4.33 6.09 5.02 -1.26 -1.80 118.16 119.17 1w1h n LYS 512 Ca -0.02 -0.77 -0.24 0.00 -2.02 0.00 0.00 58.31 55.26 1w1h n LYS 512 Cb 0.14 -0.88 -0.17 0.00 -0.02 0.00 0.00 35.03 34.10 1w1h n LYS 512 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1w1h s THR 513 N -0.34 0.93 0.05 -0.18 2.01 -1.21 -0.31 115.64 116.60 1w1h s THR 513 Ca 0.00 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1w1h s THR 513 Cb 0.00 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1w1h s THR 513 CO 0.00 0.32 -0.07 0.72 -0.69 0.00 0.00 174.62 174.90 1w1h s PHE 514 N 0.95 0.69 0.11 4.92 -0.71 -0.25 -0.80 117.98 122.90 1w1h s PHE 514 Ca -0.10 -0.61 0.06 0.00 -1.04 0.00 0.00 56.93 55.24 1w1h s PHE 514 Cb -0.15 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.21 1w1h s PHE 514 CO 0.00 -0.12 -0.06 -0.06 -1.34 0.00 0.00 175.22 173.65 1w1h s PHE 515 N -1.97 2.82 -0.23 3.49 0.08 0.74 -0.85 117.98 122.05 1w1h s PHE 515 Ca -0.05 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.90 1w1h s PHE 515 Cb -0.06 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1w1h s PHE 515 CO -0.01 0.46 -0.12 0.08 -0.10 0.00 0.00 175.22 175.52 1w1h s VAL 516 N -1.31 2.00 -0.10 -0.44 1.01 -0.72 -0.85 120.40 119.99 1w1h s VAL 516 Ca 0.23 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 1w1h s VAL 516 Cb -0.11 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1w1h s VAL 516 CO 0.16 0.13 0.47 -1.00 0.00 0.00 0.00 175.10 174.86 1w1h s HIS 517 N 1.22 3.54 0.23 5.22 3.76 0.37 -0.95 115.29 128.68 1w1h s HIS 517 Ca -0.04 0.90 0.02 0.00 -0.15 0.00 0.00 55.06 55.79 1w1h s HIS 517 Cb -0.18 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.93 1w1h s HIS 517 CO -0.07 0.21 0.04 0.95 -0.85 0.00 0.00 174.74 175.02 1w1h s THR 518 N 0.45 0.78 0.27 1.30 -4.23 -0.04 -1.28 115.64 112.90 1w1h s THR 518 Ca 0.26 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1w1h s THR 518 Cb -0.15 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.53 1w1h s THR 518 CO 0.11 -0.22 1.81 -0.65 -0.54 0.00 0.00 174.62 175.12 1w1h h PRO 519 N 2.47 0.84 -0.01 3.99 0.11 -1.94 -2.93 132.00 134.52 1w1h h PRO 519 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1w1h h PRO 519 Cb 1.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1w1h h PRO 519 CO 0.63 0.55 -0.42 0.09 -0.21 0.00 0.00 178.00 178.64 1w1h n ASN 520 N -4.71 1.78 -3.63 -2.05 3.02 -1.26 -5.01 115.26 103.40 1w1h n ASN 520 Ca 0.18 -1.39 -0.12 0.00 -0.03 0.00 0.00 54.58 53.22 1w1h n ASN 520 Cb 0.39 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 39.98 1w1h n ASN 520 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1w1h s ARG 521 N -2.20 0.72 -0.14 3.52 3.52 -1.11 -5.14 118.95 118.12 1w1h s ARG 521 Ca 0.15 0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 56.58 1w1h s ARG 521 Cb 0.15 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 1w1h s ARG 521 CO 0.50 -0.09 -0.00 0.99 -0.81 0.00 0.00 175.30 175.88 1w1h s THR 522 N 0.38 4.21 -0.17 4.11 2.01 -1.26 -0.86 115.64 124.07 1w1h s THR 522 Ca 0.01 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.62 1w1h s THR 522 Cb -0.05 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 1w1h s THR 522 CO -0.02 0.52 0.27 -0.31 -0.69 0.00 0.00 174.62 174.38 1w1h s TYR 523 N 0.02 3.45 -0.37 4.92 1.51 -0.12 -4.95 117.35 121.82 1w1h s TYR 523 Ca 0.02 0.56 -0.03 0.00 -1.01 0.00 0.00 57.07 56.61 1w1h s TYR 523 Cb -0.13 -2.32 0.08 0.00 -0.11 0.00 0.00 41.96 39.48 1w1h s TYR 523 CO 0.02 0.24 0.13 -0.47 -1.11 0.00 0.00 175.55 174.37 1w1h s TYR 524 N 0.46 3.44 -0.08 2.71 6.14 -1.26 -1.76 117.35 127.00 1w1h s TYR 524 Ca 0.15 -2.10 0.04 0.00 0.64 0.00 0.00 57.07 55.80 1w1h s TYR 524 Cb -0.13 -2.76 -0.02 0.00 0.42 0.00 0.00 41.96 39.48 1w1h s TYR 524 CO 0.03 -0.89 -0.19 -0.51 0.64 0.00 0.00 175.55 174.63 1w1h s LEU 525 N 1.22 2.43 -0.17 6.97 1.43 -0.03 -1.85 118.68 128.67 1w1h s LEU 525 Ca 0.03 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1w1h s LEU 525 Cb -0.21 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1w1h s LEU 525 CO -0.02 0.25 -0.14 -0.04 0.23 0.00 0.00 176.35 176.63 1w1h s MET 526 N -0.16 3.22 -0.43 1.70 -1.94 0.23 -1.08 119.30 120.83 1w1h s MET 526 Ca -0.02 -0.74 -0.17 0.00 -1.71 0.00 0.00 55.69 53.05 1w1h s MET 526 Cb -0.14 -2.68 0.03 0.00 2.01 0.00 0.00 34.83 34.06 1w1h s MET 526 CO 0.04 -0.03 0.45 0.34 -0.01 0.00 0.00 175.02 175.80 1w1h s ASP 527 N 0.95 6.19 0.56 3.03 -1.08 0.58 -0.09 116.67 126.80 1w1h s ASP 527 Ca -0.03 -0.75 0.36 0.00 -0.52 0.00 0.00 52.55 51.62 1w1h s ASP 527 Cb -0.15 -2.23 1.74 0.00 -1.46 0.00 0.00 42.92 40.82 1w1h s ASP 527 CO -0.02 -0.62 2.09 1.55 0.52 0.00 0.00 175.17 178.70 1w1h h PRO 528 N 8.76 0.00 -0.00 4.34 0.13 -1.85 -1.10 132.00 142.28 1w1h h PRO 528 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1w1h h PRO 528 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1w1h h PRO 528 CO 0.82 0.00 -0.27 -1.13 -0.23 0.00 0.00 178.00 177.19 1w1h n SER 529 N -2.95 0.51 -0.11 1.44 3.41 -1.26 -4.94 113.62 109.71 1w1h n SER 529 Ca -0.01 -0.32 -0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1w1h n SER 529 Cb 0.19 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1w1h n SER 529 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w1h n GLY 530 N 1.42 0.46 2.31 5.00 0.00 -0.42 -4.97 105.19 108.99 1w1h n GLY 530 Ca 0.09 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1w1h n GLY 530 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w1h n ASN 531 N 1.87 3.98 -0.15 1.61 3.02 -1.17 -4.69 115.26 119.72 1w1h n ASN 531 Ca -0.00 -3.33 0.06 0.00 -0.03 0.00 0.00 54.58 51.28 1w1h n ASN 531 Cb 0.50 -0.40 0.37 0.00 -0.61 0.00 0.00 39.78 39.64 1w1h n ASN 531 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1w1h h ALA 532 N 2.40 1.72 -0.10 5.41 0.00 -1.64 -2.43 119.26 124.62 1w1h h ALA 532 Ca 0.22 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1w1h h ALA 532 Cb 1.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1w1h h ALA 532 CO 0.64 0.18 -0.68 0.45 0.00 0.00 0.00 179.25 179.85 1w1h h HIS 533 N 0.71 0.58 -0.66 0.00 3.86 -1.84 -1.02 115.15 116.77 1w1h h HIS 533 Ca 0.28 -0.24 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1w1h h HIS 533 Cb 0.22 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 1w1h h HIS 533 CO -0.00 0.98 0.36 0.87 0.86 0.00 0.00 177.93 181.01 1w1h h LYS 534 N 0.31 0.65 0.00 2.45 1.57 -1.83 0.18 116.57 119.90 1w1h h LYS 534 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1w1h h LYS 534 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1w1h h LYS 534 CO 0.12 0.43 -0.00 -1.49 -0.57 0.00 0.00 179.45 177.94 1w1h h TRP 535 N 0.67 -0.00 -0.56 -1.35 4.06 -1.16 -1.76 115.95 115.84 1w1h h TRP 535 Ca 0.30 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.22 1w1h h TRP 535 Cb 0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.33 1w1h h TRP 535 CO -0.08 0.05 0.24 0.00 -3.56 0.00 0.00 178.44 175.08 1w1h h ARG 537 N 0.77 0.97 -0.33 0.00 3.08 -0.89 -0.17 114.38 117.81 1w1h h ARG 537 Ca 0.19 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1w1h h ARG 537 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1w1h h ARG 537 CO -0.02 0.84 -0.22 -0.22 -1.07 0.00 0.00 179.97 179.28 1w1h h LYS 538 N 0.90 0.72 -0.35 0.04 1.63 -1.05 0.86 116.57 119.33 1w1h h LYS 538 Ca 0.21 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1w1h h LYS 538 Cb 0.25 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1w1h h LYS 538 CO -0.01 0.96 0.20 0.82 -3.45 0.00 0.00 179.45 177.96 1w1h h ILE 539 N 0.49 1.02 -0.10 2.00 2.04 -1.17 -1.70 117.51 120.10 1w1h h ILE 539 Ca 0.06 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 1w1h h ILE 539 Cb 0.77 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1w1h h ILE 539 CO 0.06 0.07 -0.35 -0.61 0.00 0.00 0.00 178.15 177.32 1w1h h GLN 540 N 0.40 0.20 -0.49 2.37 5.75 -0.86 -1.20 115.11 121.28 1w1h h GLN 540 Ca 0.14 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1w1h h GLN 540 Cb 0.02 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1w1h h GLN 540 CO -0.07 0.53 0.15 1.49 -2.65 0.00 0.00 178.83 178.28 1w1h h GLU 541 N 0.17 0.77 -0.58 1.69 4.81 -0.48 0.87 114.58 121.83 1w1h h GLU 541 Ca 0.02 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1w1h h GLU 541 Cb 0.71 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1w1h h GLU 541 CO 0.05 0.73 0.30 0.28 -0.73 0.00 0.00 179.01 179.64 1w1h h VAL 542 N 0.67 1.20 -0.30 0.32 2.07 -1.03 -1.27 116.25 117.91 1w1h h VAL 542 Ca 0.16 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1w1h h VAL 542 Cb 0.28 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1w1h h VAL 542 CO -0.00 0.22 0.15 -0.25 0.02 0.00 0.00 177.57 177.71 1w1h h TRP 543 N 0.79 0.28 -0.46 1.57 7.01 -0.93 -0.42 115.95 123.79 1w1h h TRP 543 Ca 0.20 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.22 1w1h h TRP 543 Cb 0.09 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 1w1h h TRP 543 CO -0.01 0.16 0.30 0.00 -2.79 0.00 0.00 178.44 176.09 1w1h h ARG 544 N 0.32 0.61 -0.00 2.65 3.08 -0.61 0.47 114.38 120.89 1w1h h ARG 544 Ca 0.12 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1w1h h ARG 544 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1w1h h ARG 544 CO -0.08 0.42 -0.30 1.96 -1.07 0.00 0.00 179.97 180.89 1w1h h GLN 545 N 0.62 0.01 0.14 0.04 4.20 -0.85 -0.87 115.11 118.39 1w1h h GLN 545 Ca 0.17 -0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.59 1w1h h GLN 545 Cb -0.05 -0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.76 1w1h h GLN 545 CO -0.03 0.31 -1.19 -0.09 -0.67 0.00 0.00 178.83 177.16 1w1h h ARG 546 N 0.01 0.56 -0.00 1.46 9.65 -0.35 -3.38 114.38 122.32 1w1h h ARG 546 Ca -0.00 -0.79 0.00 0.00 -1.10 0.00 0.00 59.98 58.09 1w1h h ARG 546 Cb 0.54 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1w1h h ARG 546 CO 0.04 1.36 -0.43 0.66 2.80 0.00 0.00 179.97 184.40 1w1h n TYR 547 N -3.86 0.00 -4.06 2.20 4.01 0.09 -4.92 117.16 110.63 1w1h n TYR 547 Ca -0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.29 1w1h n TYR 547 Cb 0.96 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.83 1w1h n TYR 547 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1w1h s GLN 548 N -1.90 2.52 0.26 -0.72 -0.21 -0.34 -5.00 119.66 114.28 1w1h s GLN 548 Ca 0.08 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.69 1w1h s GLN 548 Cb 0.10 -2.38 0.46 0.00 1.00 0.00 0.00 33.01 32.19 1w1h s GLN 548 CO 0.42 -0.28 1.84 1.03 -2.12 0.00 0.00 175.29 176.18 1w1h h SER 549 N 7.98 0.88 -2.90 5.90 0.87 -1.88 -3.33 113.55 121.06 1w1h h SER 549 Ca -0.38 0.04 -0.60 0.00 -1.23 0.00 0.00 61.79 59.61 1w1h h SER 549 Cb 1.13 -0.14 -0.40 0.00 -0.44 0.00 0.00 62.40 62.55 1w1h h SER 549 CO 0.56 0.50 -0.81 -1.00 -0.53 0.00 0.00 176.83 175.56 1w1h s HIS 550 N -6.01 1.74 0.59 2.24 3.76 -1.26 -5.01 115.29 111.34 1w1h s HIS 550 Ca -0.12 -2.41 0.29 0.00 -0.15 0.00 0.00 55.06 52.67 1w1h s HIS 550 Cb 0.21 -1.54 1.48 0.00 1.11 0.00 0.00 32.58 33.84 1w1h s HIS 550 CO 0.80 -0.77 1.90 -1.35 -0.85 0.00 0.00 174.74 174.48 1w1h h PRO 551 N 6.20 0.00 0.00 8.40 0.11 -1.84 -0.88 132.00 143.99 1w1h h PRO 551 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1w1h h PRO 551 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1w1h h PRO 551 CO 0.45 0.00 -0.26 -0.25 -0.21 0.00 0.00 178.00 177.73 1w1h n ASP 552 N -3.72 0.33 -4.79 -2.05 8.00 -1.26 -4.86 116.55 108.20 1w1h n ASP 552 Ca 0.08 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.42 1w1h n ASP 552 Cb 0.66 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.57 1w1h n ASP 552 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w1h s ALA 553 N -3.03 2.78 0.06 2.24 0.00 -0.34 -4.98 121.76 118.50 1w1h s ALA 553 Ca 0.12 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1w1h s ALA 553 Cb 0.17 -3.31 -0.17 0.00 0.00 0.00 0.00 23.12 19.81 1w1h s ALA 553 CO 0.62 -0.54 1.59 0.00 0.00 0.00 0.00 175.76 177.43 1w1h h ALA 554 N 1.38 -0.57 -2.06 0.00 0.00 -1.89 -3.44 119.26 112.68 1w1h h ALA 554 Ca -0.50 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 1w1h h ALA 554 Cb 1.24 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 1w1h h ALA 554 CO 0.58 -0.79 -0.71 0.54 0.00 0.00 0.00 179.25 178.88 1w1h s VAL 555 N -5.84 2.16 -2.74 0.00 0.11 -1.26 -5.17 120.40 107.67 1w1h s VAL 555 Ca -0.16 -2.25 0.26 0.00 -2.93 0.00 0.00 61.98 56.91 1w1h s VAL 555 Cb 0.04 -2.47 0.38 0.00 -1.53 0.00 0.00 36.38 32.80 1w1h s VAL 555 CO 0.62 -0.30 1.52 0.00 -3.33 0.00 0.00 175.10 173.60