#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uer s THR 402 N 0.00 4.75 0.68 1.12 2.01 -1.26 -4.96 115.64 117.98 1uer s THR 402 Ca 0.00 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 1uer s THR 402 Cb 0.00 -4.53 0.01 0.00 0.01 0.00 0.00 72.50 67.99 1uer s THR 402 CO 0.00 -1.20 1.16 -1.00 -0.69 0.00 0.00 174.62 172.90 1uer s HIS 403 N 2.86 2.35 0.30 4.92 4.02 -1.26 -5.04 115.29 123.44 1uer s HIS 403 Ca 0.14 1.57 0.10 0.00 1.02 0.00 0.00 55.06 57.89 1uer s HIS 403 Cb -0.22 -3.34 -0.05 0.00 -1.02 0.00 0.00 32.58 27.95 1uer s HIS 403 CO 0.06 -2.13 -0.10 -1.83 1.02 0.00 0.00 174.74 171.76 1uer s GLU 404 N -3.88 1.90 -0.34 1.40 -1.05 -1.26 -4.96 118.70 110.51 1uer s GLU 404 Ca 0.72 -1.73 -0.20 0.00 -0.15 0.00 0.00 54.97 53.60 1uer s GLU 404 Cb -0.25 -1.86 -0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1uer s GLU 404 CO 0.41 0.26 0.64 -1.17 0.95 0.00 0.00 175.26 176.35 1uer s LEU 405 N -3.60 4.22 0.58 1.83 2.96 -1.26 -4.97 118.68 118.43 1uer s LEU 405 Ca 0.32 0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 54.27 1uer s LEU 405 Cb -0.03 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1uer s LEU 405 CO 0.17 -0.56 1.14 2.30 -1.32 0.00 0.00 176.35 178.08 1uer n ILE 406 N 5.53 3.88 -3.01 6.68 -6.64 -1.26 -4.96 119.36 119.59 1uer n ILE 406 Ca -0.01 -0.50 -0.40 0.00 -1.77 0.00 0.00 62.75 60.07 1uer n ILE 406 Cb 0.49 -1.36 -0.05 0.00 -1.44 0.00 0.00 39.64 37.27 1uer n ILE 406 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1uer s SER 407 N -1.14 7.16 0.15 7.28 0.01 -1.26 -5.03 113.70 120.87 1uer s SER 407 Ca 0.75 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 1uer s SER 407 Cb -0.42 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.29 1uer s SER 407 CO 0.47 0.00 1.14 -0.76 0.41 0.00 0.00 173.24 174.50 1uer s LEU 408 N 0.07 4.45 -0.02 2.44 1.43 -1.26 -4.93 118.68 120.85 1uer s LEU 408 Ca 0.38 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1uer s LEU 408 Cb -0.20 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.59 1uer s LEU 408 CO 0.22 -0.30 0.97 -0.81 0.23 0.00 0.00 176.35 176.66 1uer n PRO 409 N 2.75 1.61 -3.95 1.29 -0.04 -1.26 -4.85 135.00 130.55 1uer n PRO 409 Ca 0.04 -0.65 -0.09 0.00 -0.04 0.00 0.00 63.50 62.76 1uer n PRO 409 Cb 0.46 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1uer n PRO 409 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1uer s TYR 410 N -1.61 0.32 0.67 0.54 -0.85 -1.26 -5.15 117.35 110.01 1uer s TYR 410 Ca 0.12 -0.67 -0.16 0.00 -0.52 0.00 0.00 57.07 55.83 1uer s TYR 410 Cb 0.07 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1uer s TYR 410 CO 0.06 -0.89 1.19 0.00 -1.52 0.00 0.00 175.55 174.38 1uer s ALA 411 N -3.99 2.34 0.63 9.51 0.00 -1.26 -4.90 121.76 124.09 1uer s ALA 411 Ca 0.19 0.87 0.39 0.00 0.00 0.00 0.00 51.96 53.41 1uer s ALA 411 Cb 0.01 -3.44 2.18 0.00 0.00 0.00 0.00 23.12 21.87 1uer s ALA 411 CO 0.05 -1.51 2.32 -0.39 0.00 0.00 0.00 175.76 176.23 1uer h VAL 412 N 0.19 0.22 -0.57 0.00 -1.51 -1.97 -1.46 116.25 111.14 1uer h VAL 412 Ca -0.48 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1uer h VAL 412 Cb 1.29 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1uer h VAL 412 CO 0.52 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.97 1uer n ASP 413 N -3.39 3.53 0.26 4.19 5.75 -1.26 -4.23 116.55 121.39 1uer n ASP 413 Ca -0.03 -2.00 0.11 0.00 -0.01 0.00 0.00 54.79 52.86 1uer n ASP 413 Cb 0.08 -0.38 0.69 0.00 -1.03 0.00 0.00 41.12 40.48 1uer n ASP 413 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uer h ALA 414 N 3.36 1.51 -0.29 2.12 0.00 -1.61 -2.98 119.26 121.37 1uer h ALA 414 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uer h ALA 414 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1uer h ALA 414 CO 0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1uer n LEU 415 N -3.96 3.09 -4.77 0.00 4.77 -1.26 -4.39 117.00 110.48 1uer n LEU 415 Ca -0.02 -1.28 -0.36 0.00 -0.03 0.00 0.00 56.01 54.32 1uer n LEU 415 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1uer n LEU 415 CO 0.32 0.64 0.82 0.00 -1.33 0.00 0.00 177.39 177.84 1uer s ALA 416 N -1.63 2.83 -2.27 -1.18 0.00 -0.99 -1.89 121.76 116.62 1uer s ALA 416 Ca 0.36 0.93 0.21 0.00 0.00 0.00 0.00 51.96 53.45 1uer s ALA 416 Cb 0.22 -3.39 0.73 0.00 0.00 0.00 0.00 23.12 20.68 1uer s ALA 416 CO 0.31 -0.78 1.54 -0.35 0.00 0.00 0.00 175.76 176.47 1uer n PRO 417 N -0.90 1.74 -0.11 0.00 -0.04 -1.26 -4.86 135.00 129.58 1uer n PRO 417 Ca 0.10 -1.12 -0.12 0.00 -0.04 0.00 0.00 63.50 62.32 1uer n PRO 417 Cb 0.49 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1uer n PRO 417 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1uer h VAL 418 N 2.25 1.29 -3.32 0.52 2.07 -1.76 -3.37 116.25 113.93 1uer h VAL 418 Ca 0.00 -1.20 -0.57 0.00 0.82 0.00 0.00 66.70 65.75 1uer h VAL 418 Cb 0.49 1.41 -0.40 0.00 -1.52 0.00 0.00 31.29 31.28 1uer h VAL 418 CO 0.00 0.39 -0.76 -0.63 0.02 0.00 0.00 177.57 176.58 1uer s ILE 419 N -4.67 0.93 0.97 4.57 1.01 -0.79 -5.00 121.20 118.22 1uer s ILE 419 Ca -0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 1uer s ILE 419 Cb 0.09 -1.49 0.17 0.00 0.01 0.00 0.00 42.46 41.24 1uer s ILE 419 CO 0.80 -0.37 1.09 -0.94 0.00 0.00 0.00 174.94 175.51 1uer s SER 420 N 1.64 2.69 0.20 3.58 1.04 -1.26 -2.35 113.70 119.25 1uer s SER 420 Ca 0.02 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 1uer s SER 420 Cb -0.18 -2.29 0.14 0.00 0.10 0.00 0.00 66.02 63.80 1uer s SER 420 CO -0.14 -3.15 1.87 0.50 0.98 0.00 0.00 173.24 173.30 1uer h LYS 421 N -1.90 0.93 -0.53 4.02 3.64 -1.88 -0.78 116.57 120.07 1uer h LYS 421 Ca -0.51 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1uer h LYS 421 Cb 1.29 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1uer h LYS 421 CO 0.51 0.62 0.32 1.49 -2.27 0.00 0.00 179.45 180.12 1uer h GLU 422 N 0.96 0.72 -0.52 1.90 4.81 -1.92 -0.80 114.58 119.74 1uer h GLU 422 Ca 0.26 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1uer h GLU 422 Cb -0.11 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 1uer h GLU 422 CO -0.06 0.52 0.09 1.15 -0.73 0.00 0.00 179.01 179.99 1uer h THR 423 N 0.72 1.23 -0.51 0.32 2.02 -1.79 -1.30 112.91 113.59 1uer h THR 423 Ca 0.19 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1uer h THR 423 Cb -0.01 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1uer h THR 423 CO -0.04 0.31 -0.00 0.58 0.37 0.00 0.00 175.52 176.74 1uer h VAL 424 N 0.77 1.26 -0.91 3.16 2.07 -0.65 0.52 116.25 122.46 1uer h VAL 424 Ca 0.17 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1uer h VAL 424 Cb 0.33 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1uer h VAL 424 CO 0.00 0.39 0.56 -0.33 0.02 0.00 0.00 177.57 178.21 1uer h GLU 425 N 0.78 1.24 0.00 1.57 5.08 -0.69 -0.09 114.58 122.47 1uer h GLU 425 Ca 0.15 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1uer h GLU 425 Cb 0.53 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1uer h GLU 425 CO 0.03 0.86 -0.00 0.74 -1.00 0.00 0.00 179.01 179.64 1uer h PHE 426 N 1.26 -0.00 0.30 4.33 0.04 -1.07 -1.87 116.94 119.93 1uer h PHE 426 Ca 0.33 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1uer h PHE 426 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1uer h PHE 426 CO 0.00 0.90 -0.15 1.25 -0.60 0.00 0.00 178.31 179.71 1uer h HIS 427 N -1.00 -0.39 0.00 -0.55 2.76 0.07 0.90 115.15 116.95 1uer h HIS 427 Ca -0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1uer h HIS 427 Cb 0.90 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1uer h HIS 427 CO 0.25 -0.24 -0.33 1.25 -1.30 0.00 0.00 177.93 177.56 1uer h HIS 428 N -0.41 0.00 0.00 5.26 -0.00 -1.18 -1.71 115.15 117.11 1uer h HIS 428 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1uer h HIS 428 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1uer h HIS 428 CO -0.06 0.97 -0.11 0.78 -0.00 0.00 0.00 177.93 179.51 1uer h GLY 429 N -1.00 0.00 0.00 5.26 0.00 -1.18 -3.16 103.07 102.99 1uer h GLY 429 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1uer h GLY 429 CO -0.05 0.00 -0.75 0.28 0.00 0.00 0.00 176.54 176.02 1uer n LYS 430 N -3.35 0.00 -0.05 4.80 5.02 -0.39 -4.49 118.16 119.70 1uer n LYS 430 Ca -0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1uer n LYS 430 Cb 0.31 -0.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 1uer n LYS 430 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uer h HIS 431 N 0.00 0.28 -0.49 2.13 3.86 -0.85 -1.57 115.15 118.51 1uer h HIS 431 Ca 0.00 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 1uer h HIS 431 Cb 0.75 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1uer h HIS 431 CO 0.00 0.45 -0.15 1.25 0.86 0.00 0.00 177.93 180.34 1uer h LEU 432 N 0.03 0.97 -0.91 2.43 5.85 -1.37 -1.57 115.31 120.75 1uer h LEU 432 Ca 0.05 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 58.47 1uer h LEU 432 Cb 0.32 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1uer h LEU 432 CO 0.00 1.12 0.56 0.50 -0.34 0.00 0.00 178.44 180.29 1uer h LYS 433 N 0.81 0.96 -0.49 1.25 3.64 -1.51 -1.49 116.57 119.75 1uer h LYS 433 Ca 0.12 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1uer h LYS 433 Cb 0.72 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1uer h LYS 433 CO 0.05 0.63 -0.09 1.15 -2.27 0.00 0.00 179.45 178.93 1uer h THR 434 N 0.99 1.27 -0.65 1.00 2.02 -0.81 -1.35 112.91 115.37 1uer h THR 434 Ca 0.41 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1uer h THR 434 Cb 0.26 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1uer h THR 434 CO -0.20 0.42 0.33 1.88 0.37 0.00 0.00 175.52 178.32 1uer h TYR 435 N 0.77 0.91 -0.13 3.16 0.05 -0.74 -0.75 116.97 120.25 1uer h TYR 435 Ca 0.13 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1uer h TYR 435 Cb 0.63 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1uer h TYR 435 CO 0.05 0.67 0.05 0.28 -1.05 0.00 0.00 178.16 178.15 1uer h VAL 436 N 0.89 1.16 -0.64 -2.88 2.07 -1.18 -1.17 116.25 114.50 1uer h VAL 436 Ca 0.22 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1uer h VAL 436 Cb 0.08 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1uer h VAL 436 CO -0.03 0.15 0.36 0.44 0.02 0.00 0.00 177.57 178.50 1uer h ASP 437 N 0.04 0.79 -0.44 0.57 3.32 -1.11 -0.74 116.42 118.86 1uer h ASP 437 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1uer h ASP 437 Cb 0.19 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1uer h ASP 437 CO -0.00 0.65 0.19 0.78 -1.72 0.00 0.00 179.24 179.14 1uer h ASN 438 N 0.87 0.59 -0.17 6.45 2.35 -1.05 -2.44 115.58 122.19 1uer h ASN 438 Ca 0.23 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1uer h ASN 438 Cb 0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1uer h ASN 438 CO -0.04 0.58 0.06 0.25 -1.65 0.00 0.00 177.43 176.64 1uer h LEU 439 N 0.56 0.07 -1.51 1.61 5.85 -0.85 0.51 115.31 121.55 1uer h LEU 439 Ca 0.15 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.95 1uer h LEU 439 Cb 0.17 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1uer h LEU 439 CO -0.01 0.07 0.42 0.78 -0.34 0.00 0.00 178.44 179.35 1uer h ASN 440 N 0.14 0.52 0.53 1.25 2.35 -0.99 -2.14 115.58 117.26 1uer h ASN 440 Ca 0.07 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.53 1uer h ASN 440 Cb 0.04 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1uer h ASN 440 CO -0.07 0.33 -1.41 0.11 -1.65 0.00 0.00 177.43 174.74 1uer h LYS 441 N 0.59 0.25 0.00 0.81 1.57 -0.91 -3.36 116.57 115.52 1uer h LYS 441 Ca 0.27 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1uer h LYS 441 Cb 0.32 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1uer h LYS 441 CO -0.08 1.14 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.52 1uer h LEU 442 N 0.07 0.00 -0.04 2.94 3.38 -0.55 -3.25 115.31 117.86 1uer h LEU 442 Ca -0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1uer h LEU 442 Cb 1.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1uer h LEU 442 CO 0.18 0.35 -0.15 0.16 0.09 0.00 0.00 178.44 179.07 1uer h ILE 443 N 0.00 0.26 -2.24 1.22 3.07 -1.54 -3.46 117.51 114.82 1uer h ILE 443 Ca -0.00 -1.35 -0.59 0.00 1.55 0.00 0.00 64.86 64.47 1uer h ILE 443 Cb 0.94 2.11 0.05 0.00 -0.27 0.00 0.00 36.82 39.66 1uer h ILE 443 CO 0.05 0.14 0.81 -0.38 -1.05 0.00 0.00 178.15 177.72 1uer n ILE 444 N -3.14 0.04 -1.38 0.16 5.41 -1.23 -1.72 119.36 117.50 1uer n ILE 444 Ca 0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 1uer n ILE 444 Cb 0.58 -1.54 -0.01 0.00 -0.71 0.00 0.00 39.64 37.97 1uer n ILE 444 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uer n GLY 445 N 3.46 0.50 3.34 7.39 0.00 -1.26 -4.99 105.19 113.61 1uer n GLY 445 Ca 0.17 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 1uer n GLY 445 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uer s THR 446 N -2.12 0.87 -0.35 2.61 -4.23 -0.70 -5.01 115.64 106.71 1uer s THR 446 Ca 0.00 -2.01 0.16 0.00 -1.18 0.00 0.00 61.69 58.66 1uer s THR 446 Cb 0.00 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.50 1uer s THR 446 CO 0.00 -0.18 1.47 -1.84 -0.54 0.00 0.00 174.62 173.53 1uer n GLU 447 N -0.46 0.10 0.00 3.99 0.28 -1.26 -1.61 120.64 121.68 1uer n GLU 447 Ca -0.03 0.59 0.12 0.00 -0.16 0.00 0.00 57.16 57.68 1uer n GLU 447 Cb 0.65 -1.87 0.10 0.00 1.43 0.00 0.00 31.44 31.75 1uer n GLU 447 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1uer n PHE 448 N -2.06 0.00 -0.35 -1.84 3.72 -1.26 -4.50 117.46 111.17 1uer n PHE 448 Ca -0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.53 1uer n PHE 448 Cb 0.06 -0.03 0.34 0.00 -0.94 0.00 0.00 39.48 38.92 1uer n PHE 448 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1uer h GLU 449 N 2.36 0.69 -0.40 -1.08 4.81 -1.21 -2.30 114.58 117.46 1uer h GLU 449 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1uer h GLU 449 Cb 0.72 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1uer h GLU 449 CO 0.00 0.46 0.00 0.09 -0.73 0.00 0.00 179.01 178.83 1uer n ASN 450 N -4.79 3.60 -4.87 1.04 5.03 -1.26 -1.60 115.26 112.42 1uer n ASN 450 Ca 0.24 -2.38 -0.31 0.00 0.87 0.00 0.00 54.58 53.00 1uer n ASN 450 Cb 0.62 -0.40 -0.05 0.00 -1.02 0.00 0.00 39.78 38.93 1uer n ASN 450 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1uer s ALA 451 N -1.69 3.41 0.72 5.41 0.00 -0.87 -4.73 121.76 124.00 1uer s ALA 451 Ca 0.35 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1uer s ALA 451 Cb 0.23 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1uer s ALA 451 CO 0.16 0.27 1.07 0.16 0.00 0.00 0.00 175.76 177.42 1uer s ASP 452 N -2.61 5.17 0.25 0.00 -4.77 -1.26 -4.82 116.67 108.63 1uer s ASP 452 Ca 0.51 1.59 -0.03 0.00 -3.30 0.00 0.00 52.55 51.32 1uer s ASP 452 Cb -0.10 -2.43 0.46 0.00 -1.09 0.00 0.00 42.92 39.76 1uer s ASP 452 CO 0.23 -1.58 1.77 0.25 0.70 0.00 0.00 175.17 176.54 1uer h LEU 453 N -0.81 0.52 -0.93 2.11 5.85 -1.97 -2.12 115.31 117.96 1uer h LEU 453 Ca -0.44 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1uer h LEU 453 Cb 1.22 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1uer h LEU 453 CO 0.57 0.25 0.61 0.78 -0.34 0.00 0.00 178.44 180.31 1uer h ASN 454 N 0.64 1.02 -0.63 1.25 2.35 -1.97 -1.75 115.58 116.48 1uer h ASN 454 Ca 0.42 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.14 1uer h ASN 454 Cb 0.54 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1uer h ASN 454 CO -0.33 0.70 0.32 0.74 -1.65 0.00 0.00 177.43 177.22 1uer h THR 455 N 1.19 1.21 -0.55 2.81 2.02 -1.76 0.24 112.91 118.07 1uer h THR 455 Ca 0.37 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1uer h THR 455 Cb -0.02 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1uer h THR 455 CO -0.11 0.24 0.23 0.40 0.37 0.00 0.00 175.52 176.65 1uer h ILE 456 N 0.87 1.22 -0.43 3.11 2.04 -1.18 0.65 117.51 123.77 1uer h ILE 456 Ca 0.22 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.31 1uer h ILE 456 Cb 0.09 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1uer h ILE 456 CO -0.03 0.26 -0.16 0.58 0.00 0.00 0.00 178.15 178.79 1uer h VAL 457 N 0.75 1.27 -0.55 1.67 2.07 -1.00 0.30 116.25 120.76 1uer h VAL 457 Ca 0.19 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1uer h VAL 457 Cb 0.18 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1uer h VAL 457 CO -0.02 0.43 0.30 1.56 0.02 0.00 0.00 177.57 179.87 1uer h GLN 458 N 0.73 0.77 0.00 1.57 1.08 0.12 -3.38 115.11 116.00 1uer h GLN 458 Ca 0.11 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1uer h GLN 458 Cb 0.67 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1uer h GLN 458 CO 0.05 0.60 0.00 0.36 -0.95 0.00 0.00 178.83 178.88 1uer n LYS 459 N -4.61 1.00 -1.50 1.46 2.85 0.16 -4.85 118.16 112.67 1uer n LYS 459 Ca 0.03 -0.27 -0.29 0.00 -1.05 0.00 0.00 58.31 56.74 1uer n LYS 459 Cb 0.09 -0.73 0.14 0.00 -0.65 0.00 0.00 35.03 33.87 1uer n LYS 459 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1uer s SER 460 N -0.22 3.41 0.30 -5.58 1.04 0.10 -5.06 113.70 107.70 1uer s SER 460 Ca 0.00 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1uer s SER 460 Cb 0.00 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.52 1uer s SER 460 CO 0.00 -2.61 0.31 -0.70 0.98 0.00 0.00 173.24 171.21 1uer s GLU 461 N -5.24 1.67 5.15 4.02 2.12 -1.26 -4.72 118.70 120.43 1uer s GLU 461 Ca 0.64 -1.83 0.00 0.00 0.36 0.00 0.00 54.97 54.14 1uer s GLU 461 Cb -0.15 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1uer s GLU 461 CO 0.54 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1uer n GLY 462 N -0.52 2.77 0.21 -1.50 0.00 -1.26 -2.18 105.19 102.70 1uer n GLY 462 Ca 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.77 1uer n GLY 462 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uer h GLY 463 N 0.00 0.00 0.97 -0.02 0.00 -2.00 -0.78 103.07 101.24 1uer h GLY 463 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1uer h GLY 463 CO 0.00 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 1uer h ILE 464 N 0.00 1.26 -0.42 2.60 2.04 -1.90 -2.25 117.51 118.84 1uer h ILE 464 Ca -0.00 -1.07 -0.12 0.00 1.00 0.00 0.00 64.86 64.67 1uer h ILE 464 Cb 0.54 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1uer h ILE 464 CO 0.04 0.36 -0.22 0.15 0.00 0.00 0.00 178.15 178.48 1uer h PHE 465 N 0.60 1.04 -0.50 1.37 3.57 -0.97 -0.52 116.94 121.52 1uer h PHE 465 Ca 0.12 -0.26 0.06 0.00 3.53 0.00 0.00 57.97 61.42 1uer h PHE 465 Cb 0.52 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1uer h PHE 465 CO 0.04 1.05 0.20 -0.91 -2.23 0.00 0.00 178.31 176.46 1uer h ASN 466 N 0.72 0.23 0.89 0.41 2.35 -0.97 0.23 115.58 119.44 1uer h ASN 466 Ca 0.09 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.69 1uer h ASN 466 Cb 0.79 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1uer h ASN 466 CO 0.07 0.16 -0.96 0.78 -1.65 0.00 0.00 177.43 175.82 1uer h ASN 467 N 0.39 0.06 -0.12 5.81 2.35 -1.35 -2.80 115.58 119.92 1uer h ASN 467 Ca 0.24 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 1uer h ASN 467 Cb 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1uer h ASN 467 CO -0.22 0.98 -0.40 0.00 -1.65 0.00 0.00 177.43 176.14 1uer h ALA 468 N 1.01 0.21 -0.56 -0.83 0.00 -0.74 -1.24 119.26 117.11 1uer h ALA 468 Ca -0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1uer h ALA 468 Cb 1.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1uer h ALA 468 CO 0.13 0.31 0.31 0.78 0.00 0.00 0.00 179.25 180.79 1uer h GLY 469 N 0.07 0.84 1.39 0.00 0.00 -0.65 -1.33 103.07 103.39 1uer h GLY 469 Ca -0.02 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1uer h GLY 469 CO 0.09 0.36 -0.08 1.46 0.00 0.00 0.00 176.54 178.37 1uer h GLN 470 N 0.76 0.73 0.01 4.80 1.08 -1.52 -0.21 115.11 120.77 1uer h GLN 470 Ca 0.20 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1uer h GLN 470 Cb 0.04 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1uer h GLN 470 CO -0.03 0.80 -0.00 1.15 -0.95 0.00 0.00 178.83 179.79 1uer h THR 471 N 0.67 1.16 -0.43 -0.54 2.02 -0.69 -1.02 112.91 114.08 1uer h THR 471 Ca 0.12 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1uer h THR 471 Cb 0.53 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1uer h THR 471 CO 0.03 0.13 0.23 0.25 0.37 0.00 0.00 175.52 176.53 1uer h LEU 472 N -0.23 0.55 -0.24 2.58 5.85 -1.15 -0.71 115.31 121.96 1uer h LEU 472 Ca -0.00 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1uer h LEU 472 Cb 0.23 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1uer h LEU 472 CO 0.00 0.49 -0.12 0.78 -0.34 0.00 0.00 178.44 179.25 1uer h ASN 473 N 0.56 -0.41 0.34 1.25 2.35 -0.97 -1.48 115.58 117.23 1uer h ASN 473 Ca 0.15 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1uer h ASN 473 Cb 0.08 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1uer h ASN 473 CO -0.02 -0.16 -0.39 0.45 -1.65 0.00 0.00 177.43 175.66 1uer h HIS 474 N -0.10 0.07 -0.49 1.19 3.86 -0.96 0.47 115.15 119.20 1uer h HIS 474 Ca 0.13 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1uer h HIS 474 Cb 0.29 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1uer h HIS 474 CO -0.30 0.44 0.05 -0.91 0.86 0.00 0.00 177.93 178.08 1uer h ASN 475 N 0.05 0.80 -0.48 2.45 2.35 -0.51 -0.59 115.58 119.66 1uer h ASN 475 Ca 0.00 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.35 1uer h ASN 475 Cb 0.71 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1uer h ASN 475 CO 0.05 0.88 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.43 1uer h LEU 476 N 0.70 1.01 0.54 1.61 3.38 -0.99 -2.98 115.31 118.59 1uer h LEU 476 Ca 0.15 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1uer h LEU 476 Cb 0.44 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1uer h LEU 476 CO 0.01 1.18 -0.26 0.22 0.09 0.00 0.00 178.44 179.69 1uer h TYR 477 N 0.84 -0.68 0.00 1.13 3.20 -0.62 -2.76 116.97 118.09 1uer h TYR 477 Ca 0.11 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1uer h TYR 477 Cb 0.79 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1uer h TYR 477 CO 0.05 -0.38 -0.23 0.74 -1.64 0.00 0.00 178.16 176.70 1uer h PHE 478 N -0.82 0.00 0.00 -3.82 0.04 -1.20 -2.91 116.94 108.23 1uer h PHE 478 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1uer h PHE 478 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1uer h PHE 478 CO -0.02 0.23 -0.20 0.25 -0.60 0.00 0.00 178.31 177.97 1uer n THR 479 N -3.99 0.16 1.28 -1.55 -2.24 -1.13 -3.77 114.28 103.05 1uer n THR 479 Ca -0.02 -0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1uer n THR 479 Cb 0.31 -0.30 0.44 0.00 -2.10 0.00 0.00 70.33 68.68 1uer n THR 479 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uer n GLN 480 N -1.73 0.77 -4.18 -0.78 10.64 -1.05 -4.93 117.38 116.13 1uer n GLN 480 Ca 0.06 -0.40 -0.31 0.00 -1.83 0.00 0.00 57.00 54.51 1uer n GLN 480 Cb 0.37 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 28.18 1uer n GLN 480 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1uer s PHE 481 N -2.51 3.03 -0.04 2.61 0.08 -1.25 -1.19 117.98 118.71 1uer s PHE 481 Ca 0.25 0.02 -0.24 0.00 0.12 0.00 0.00 56.93 57.08 1uer s PHE 481 Cb 0.19 -1.59 0.05 0.00 -0.57 0.00 0.00 43.02 41.11 1uer s PHE 481 CO 0.51 0.48 0.52 1.03 -0.10 0.00 0.00 175.22 177.66 1uer s ARG 482 N -2.07 0.89 0.76 0.44 1.81 -0.41 -4.86 118.95 115.51 1uer s ARG 482 Ca 0.24 0.08 -0.12 0.00 -1.72 0.00 0.00 55.73 54.21 1uer s ARG 482 Cb -0.12 0.41 0.05 0.00 -0.45 0.00 0.00 34.95 34.84 1uer s ARG 482 CO 0.16 -0.26 1.13 -1.25 -0.68 0.00 0.00 175.30 174.40 1uer s PRO 483 N -1.22 2.40 -1.36 3.54 0.04 -1.26 -3.80 135.00 133.33 1uer s PRO 483 Ca -0.12 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1uer s PRO 483 Cb -0.02 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1uer s PRO 483 CO 0.07 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1uer n GLY 484 N -3.15 1.31 0.00 0.56 0.00 -1.26 -4.93 105.19 97.71 1uer n GLY 484 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1uer n GLY 484 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uer n LYS 485 N -1.97 0.00 0.00 1.61 4.76 -1.25 -5.07 118.16 116.24 1uer n LYS 485 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1uer n LYS 485 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 1uer n LYS 485 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uer n GLY 486 N 5.00 -0.41 6.32 0.72 0.00 -0.50 -4.83 105.19 111.49 1uer n GLY 486 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1uer n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uer n GLY 487 N 0.00 -1.89 3.75 -0.02 0.00 -1.26 -4.68 105.19 101.09 1uer n GLY 487 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 1uer n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uer s ALA 488 N -1.10 3.43 0.70 4.61 0.00 -1.26 -5.00 121.76 123.14 1uer s ALA 488 Ca 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1uer s ALA 488 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1uer s ALA 488 CO 0.00 0.47 1.06 -1.25 0.00 0.00 0.00 175.76 176.05 1uer s PRO 489 N -3.10 2.90 0.00 0.00 0.04 -1.26 -4.97 135.00 128.60 1uer s PRO 489 Ca 0.30 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1uer s PRO 489 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1uer s PRO 489 CO 0.22 -1.13 0.00 0.36 0.04 0.00 0.00 177.00 176.49 1uer n LYS 490 N -3.14 1.43 0.00 4.56 2.85 -1.26 -4.49 118.16 118.11 1uer n LYS 490 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1uer n LYS 490 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1uer n LYS 490 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uer n GLY 491 N 2.37 0.94 0.37 2.58 0.00 -1.26 -1.25 105.19 108.95 1uer n GLY 491 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1uer n GLY 491 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1uer h LYS 492 N 0.00 1.26 -0.30 1.61 1.63 -1.99 -1.86 116.57 116.93 1uer h LYS 492 Ca 0.00 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1uer h LYS 492 Cb 0.00 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.33 1uer h LYS 492 CO 0.00 0.83 0.15 1.25 -3.45 0.00 0.00 179.45 178.23 1uer h LEU 493 N 1.29 0.38 -1.05 5.20 5.85 -1.93 0.17 115.31 125.22 1uer h LEU 493 Ca 0.35 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1uer h LEU 493 Cb -0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1uer h LEU 493 CO -0.08 0.38 0.58 1.23 -0.34 0.00 0.00 178.44 180.21 1uer h GLY 494 N 0.35 1.31 0.91 3.75 0.00 -0.85 0.31 103.07 108.85 1uer h GLY 494 Ca 0.10 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1uer h GLY 494 CO -0.01 0.50 -0.04 -2.09 0.00 0.00 0.00 176.54 174.90 1uer h GLU 495 N 1.25 0.61 -0.85 4.80 4.81 -0.86 -1.91 114.58 122.43 1uer h GLU 495 Ca 0.33 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1uer h GLU 495 Cb -0.10 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1uer h GLU 495 CO -0.07 0.77 0.45 0.00 -0.73 0.00 0.00 179.01 179.42 1uer h ALA 496 N 0.83 1.18 -0.61 2.92 0.00 -0.22 -1.91 119.26 121.45 1uer h ALA 496 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1uer h ALA 496 Cb 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uer h ALA 496 CO 0.03 0.64 0.01 0.82 0.00 0.00 0.00 179.25 180.75 1uer h ILE 497 N 1.20 1.27 -0.63 0.00 2.04 -0.80 -1.17 117.51 119.42 1uer h ILE 497 Ca 0.30 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1uer h ILE 497 Cb 0.06 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1uer h ILE 497 CO -0.04 0.41 0.38 0.44 0.00 0.00 0.00 178.15 179.34 1uer h ASP 498 N 0.97 0.75 -0.29 1.72 3.32 -0.89 -0.38 116.42 121.62 1uer h ASP 498 Ca 0.17 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1uer h ASP 498 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1uer h ASP 498 CO 0.03 0.59 -0.23 0.11 -1.72 0.00 0.00 179.24 178.01 1uer h LYS 499 N 0.85 0.68 -0.03 3.56 1.57 -1.18 0.17 116.57 122.19 1uer h LYS 499 Ca 0.23 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1uer h LYS 499 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uer h LYS 499 CO -0.04 0.94 -0.15 0.37 -0.57 0.00 0.00 179.45 180.00 1uer h GLN 500 N 0.43 0.16 -0.02 3.15 5.75 -1.11 -3.37 115.11 120.10 1uer h GLN 500 Ca 0.05 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1uer h GLN 500 Cb 0.79 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1uer h GLN 500 CO 0.06 0.78 -0.07 1.19 -2.65 0.00 0.00 178.83 178.14 1uer n PHE 501 N -4.61 0.00 0.00 3.99 3.01 -0.16 -5.01 117.46 114.68 1uer n PHE 501 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1uer n PHE 501 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1uer n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uer n GLY 502 N 0.95 2.81 3.61 1.37 0.00 0.61 -4.43 105.19 110.10 1uer n GLY 502 Ca 0.09 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 1uer n GLY 502 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uer s SER 503 N 0.00 -0.16 0.19 1.61 1.04 -1.25 -4.83 113.70 110.31 1uer s SER 503 Ca 0.00 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 1uer s SER 503 Cb 0.00 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.48 1uer s SER 503 CO 0.00 -0.41 1.82 0.15 0.98 0.00 0.00 173.24 175.79 1uer h PHE 504 N 2.00 0.92 -0.61 5.02 3.57 -1.92 -1.25 116.94 124.67 1uer h PHE 504 Ca -0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.23 1uer h PHE 504 Cb 1.20 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1uer h PHE 504 CO 0.30 0.63 0.11 0.93 -2.23 0.00 0.00 178.31 178.06 1uer h GLU 505 N 0.94 0.99 -0.49 1.11 4.39 -1.97 -0.10 114.58 119.46 1uer h GLU 505 Ca 0.24 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1uer h GLU 505 Cb -0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1uer h GLU 505 CO -0.04 0.90 -0.19 -0.22 -1.16 0.00 0.00 179.01 178.30 1uer h LYS 506 N 0.93 0.99 -0.36 2.33 1.63 -1.77 -1.78 116.57 118.54 1uer h LYS 506 Ca 0.19 -0.41 0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1uer h LYS 506 Cb 0.38 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1uer h LYS 506 CO 0.01 1.09 0.18 0.35 -3.45 0.00 0.00 179.45 177.63 1uer h PHE 507 N 0.84 0.34 -0.58 1.91 3.57 -0.85 -1.68 116.94 120.49 1uer h PHE 507 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1uer h PHE 507 Cb 0.76 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1uer h PHE 507 CO 0.05 0.18 0.38 0.87 -2.23 0.00 0.00 178.31 177.56 1uer h LYS 508 N 0.38 0.75 -0.98 1.11 1.57 -0.80 0.36 116.57 118.96 1uer h LYS 508 Ca 0.15 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1uer h LYS 508 Cb 0.06 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1uer h LYS 508 CO -0.11 0.49 0.62 1.49 -0.57 0.00 0.00 179.45 181.38 1uer h GLU 509 N 0.77 1.30 -0.43 3.15 4.22 -0.92 0.11 114.58 122.78 1uer h GLU 509 Ca 0.21 -0.09 -0.14 0.00 0.08 0.00 0.00 59.36 59.42 1uer h GLU 509 Cb -0.07 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1uer h GLU 509 CO -0.05 0.88 -0.28 0.93 -2.18 0.00 0.00 179.01 178.31 1uer h GLU 510 N 1.33 0.92 -0.17 1.92 5.08 -0.68 -1.72 114.58 121.26 1uer h GLU 510 Ca 0.35 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1uer h GLU 510 Cb -0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1uer h GLU 510 CO -0.07 1.07 0.02 0.35 -1.00 0.00 0.00 179.01 179.38 1uer h PHE 511 N 0.78 0.30 -0.76 4.33 3.57 -0.49 -1.44 116.94 123.22 1uer h PHE 511 Ca 0.09 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1uer h PHE 511 Cb 0.84 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1uer h PHE 511 CO 0.05 0.45 0.50 -0.91 -2.23 0.00 0.00 178.31 176.18 1uer h ASN 512 N 0.06 0.87 -0.77 0.41 2.35 -0.74 -1.71 115.58 116.04 1uer h ASN 512 Ca 0.05 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1uer h ASN 512 Cb 0.32 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1uer h ASN 512 CO 0.00 0.63 0.33 0.74 -1.65 0.00 0.00 177.43 177.49 1uer h THR 513 N 1.03 1.25 -0.77 2.81 2.02 -1.13 -0.17 112.91 117.95 1uer h THR 513 Ca 0.28 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1uer h THR 513 Cb -0.11 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1uer h THR 513 CO -0.06 0.32 0.41 0.00 0.37 0.00 0.00 175.52 176.56 1uer h ALA 514 N 1.17 0.98 -0.32 6.16 0.00 -0.88 -0.79 119.26 125.59 1uer h ALA 514 Ca 0.26 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1uer h ALA 514 Cb 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uer h ALA 514 CO -0.03 0.50 -0.45 0.78 0.00 0.00 0.00 179.25 180.06 1uer h GLY 515 N 1.07 0.90 2.00 0.00 0.00 -0.82 -2.36 103.07 103.85 1uer h GLY 515 Ca 0.27 -0.97 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 1uer h GLY 515 CO -0.04 0.87 -0.42 -0.91 0.00 0.00 0.00 176.54 176.04 1uer h THR 516 N 0.66 0.88 -0.00 4.70 1.35 -0.74 -3.12 112.91 116.64 1uer h THR 516 Ca 0.04 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1uer h THR 516 Cb 1.03 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1uer h THR 516 CO 0.10 0.41 -0.50 0.35 -0.25 0.00 0.00 175.52 175.64 1uer n THR 517 N -3.43 0.00 -2.09 6.82 -2.24 -0.33 -4.83 114.28 108.18 1uer n THR 517 Ca 0.00 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1uer n THR 517 Cb 0.58 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1uer n THR 517 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1uer s LEU 518 N -2.96 3.65 -0.10 3.22 0.20 -0.89 -4.95 118.68 116.84 1uer s LEU 518 Ca 0.12 1.34 -0.30 0.00 0.69 0.00 0.00 54.13 55.98 1uer s LEU 518 Cb 0.18 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.39 1uer s LEU 518 CO 0.69 -1.51 1.03 0.12 -0.29 0.00 0.00 176.35 176.40 1uer s PHE 519 N 6.07 3.46 0.00 5.38 5.36 -1.26 -4.81 117.98 132.19 1uer s PHE 519 Ca 0.74 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 58.25 1uer s PHE 519 Cb -0.22 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.24 1uer s PHE 519 CO 0.32 -0.38 0.00 0.41 -1.46 0.00 0.00 175.22 174.11 1uer n GLY 520 N 3.14 -0.21 3.86 13.12 0.00 -1.26 -4.91 105.19 118.94 1uer n GLY 520 Ca 0.09 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1uer n GLY 520 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uer s SER 521 N -4.00 6.69 0.00 1.61 0.01 -1.26 -4.75 113.70 112.00 1uer s SER 521 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1uer s SER 521 Cb 0.00 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1uer s SER 521 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1uer n GLY 522 N -0.22 -1.23 2.97 3.44 0.00 -1.26 -1.07 105.19 107.81 1uer n GLY 522 Ca 0.02 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1uer n GLY 522 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uer s TRP 523 N -3.00 0.31 -0.17 1.61 0.52 0.31 -0.66 118.94 117.86 1uer s TRP 523 Ca 0.00 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.78 1uer s TRP 523 Cb 0.00 -0.20 -0.01 0.00 -1.15 0.00 0.00 33.47 32.11 1uer s TRP 523 CO 0.00 -0.09 -0.11 0.54 0.02 0.00 0.00 176.95 177.30 1uer s VAL 524 N -0.90 2.97 -0.07 4.03 0.11 -0.66 -0.22 120.40 125.67 1uer s VAL 524 Ca -0.08 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1uer s VAL 524 Cb -0.06 -2.29 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1uer s VAL 524 CO -0.00 0.49 -0.25 0.26 -3.33 0.00 0.00 175.10 172.27 1uer s TRP 525 N 0.95 2.47 -0.16 1.54 0.52 0.17 -0.80 118.94 123.63 1uer s TRP 525 Ca -0.02 -0.80 -0.19 0.00 0.02 0.00 0.00 56.10 55.12 1uer s TRP 525 Cb -0.15 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1uer s TRP 525 CO -0.01 -0.26 0.53 -1.17 0.02 0.00 0.00 176.95 176.05 1uer s LEU 526 N -0.05 4.20 0.09 2.99 2.96 0.44 -0.52 118.68 128.79 1uer s LEU 526 Ca -0.07 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1uer s LEU 526 Cb -0.15 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 1uer s LEU 526 CO 0.05 -0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 174.86 1uer s ALA 527 N 1.25 1.03 0.10 5.97 0.00 0.22 -1.33 121.76 129.01 1uer s ALA 527 Ca 0.26 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1uer s ALA 527 Cb -0.15 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1uer s ALA 527 CO 0.10 -0.02 -0.22 -1.54 0.00 0.00 0.00 175.76 174.08 1uer s SER 528 N -2.27 2.65 0.00 0.00 1.04 -0.60 -0.56 113.70 113.96 1uer s SER 528 Ca 0.03 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1uer s SER 528 Cb -0.04 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1uer s SER 528 CO 0.00 0.08 0.00 -0.90 0.98 0.00 0.00 173.24 173.40 1uer n ASP 529 N 1.11 0.20 -0.27 7.02 5.68 -0.39 -0.74 116.55 129.15 1uer n ASP 529 Ca -0.19 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.55 1uer n ASP 529 Cb 0.53 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.58 1uer n ASP 529 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uer h ALA 530 N -0.05 0.34 -0.76 2.12 0.00 -1.90 -1.87 119.26 117.14 1uer h ALA 530 Ca 0.00 0.27 -0.48 0.00 0.00 0.00 0.00 54.91 54.71 1uer h ALA 530 Cb 0.00 0.70 -0.27 0.00 0.00 0.00 0.00 17.79 18.23 1uer h ALA 530 CO 0.00 -0.50 0.23 0.27 0.00 0.00 0.00 179.25 179.25 1uer n ASN 531 N -5.50 4.80 -0.14 0.00 6.94 -1.26 -4.93 115.26 115.17 1uer n ASN 531 Ca 0.09 -3.75 -0.02 0.00 -0.02 0.00 0.00 54.58 50.89 1uer n ASN 531 Cb 0.39 -0.73 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 1uer n ASN 531 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1uer n GLY 532 N -0.99 0.52 3.73 4.83 0.00 -0.70 -5.01 105.19 107.57 1uer n GLY 532 Ca 0.50 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1uer n GLY 532 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uer s LYS 533 N -1.19 4.50 0.16 1.61 2.20 -1.26 -4.70 119.74 121.07 1uer s LYS 533 Ca 0.00 1.81 -0.11 0.00 -0.36 0.00 0.00 55.97 57.31 1uer s LYS 533 Cb 0.00 -3.27 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1uer s LYS 533 CO 0.00 -0.08 0.51 -0.51 -0.36 0.00 0.00 175.35 174.90 1uer s LEU 534 N 0.02 4.27 0.04 5.43 1.43 -1.26 -1.26 118.68 127.35 1uer s LEU 534 Ca 0.53 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 1uer s LEU 534 Cb -0.31 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.57 1uer s LEU 534 CO 0.34 0.05 0.35 -0.94 0.23 0.00 0.00 176.35 176.39 1uer s SER 535 N -2.01 -0.20 -0.34 2.29 1.04 0.28 -4.99 113.70 109.78 1uer s SER 535 Ca 0.41 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.65 1uer s SER 535 Cb -0.13 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1uer s SER 535 CO 0.20 -0.63 0.17 -0.63 0.98 0.00 0.00 173.24 173.33 1uer s ILE 536 N -2.45 4.55 -0.22 -1.02 1.01 -1.26 -0.61 121.20 121.20 1uer s ILE 536 Ca -0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1uer s ILE 536 Cb -0.01 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1uer s ILE 536 CO -0.02 -0.06 0.06 -1.61 0.00 0.00 0.00 174.94 173.30 1uer s GLU 537 N 1.58 3.75 -0.31 2.79 0.41 0.32 -4.94 118.70 122.30 1uer s GLU 537 Ca 0.03 -0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 1uer s GLU 537 Cb -0.18 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 1uer s GLU 537 CO 0.06 -0.03 0.42 0.15 -0.49 0.00 0.00 175.26 175.38 1uer s LYS 538 N 1.18 3.80 -0.28 1.61 1.02 -1.26 -0.66 119.74 125.15 1uer s LYS 538 Ca 0.04 -0.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 1uer s LYS 538 Cb -0.14 -3.73 0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1uer s LYS 538 CO 0.03 -0.45 -0.02 -1.21 -0.92 0.00 0.00 175.35 172.78 1uer s GLU 539 N 2.17 2.61 0.48 1.68 0.41 0.69 -5.00 118.70 121.74 1uer s GLU 539 Ca 0.16 -1.14 -0.22 0.00 -0.41 0.00 0.00 54.97 53.36 1uer s GLU 539 Cb -0.16 -3.10 -0.07 0.00 -1.78 0.00 0.00 34.13 29.01 1uer s GLU 539 CO 0.11 -0.53 1.12 -2.14 -0.49 0.00 0.00 175.26 173.34 1uer s PRO 540 N 1.29 3.72 3.77 0.39 0.02 -1.26 -0.53 135.00 142.39 1uer s PRO 540 Ca -0.03 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.62 1uer s PRO 540 Cb -0.18 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1uer s PRO 540 CO -0.02 -0.55 0.00 0.09 -0.33 0.00 0.00 177.00 176.19 1uer n ASN 541 N -0.70 0.00 -0.96 2.53 3.02 -0.23 -2.07 115.26 116.85 1uer n ASN 541 Ca 0.08 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.73 1uer n ASN 541 Cb 0.50 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.93 1uer n ASN 541 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uer n ALA 542 N 9.57 2.44 -1.66 5.41 0.00 -1.26 -4.34 120.51 130.66 1uer n ALA 542 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 1uer n ALA 542 Cb 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1uer n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uer n GLY 543 N 1.37 0.09 3.18 0.00 0.00 -0.88 -4.06 105.19 104.89 1uer n GLY 543 Ca 0.18 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1uer n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uer s ASN 544 N -0.97 -0.29 0.58 1.61 3.84 -1.26 -4.81 114.94 113.64 1uer s ASN 544 Ca 0.70 0.52 0.28 0.00 0.21 0.00 0.00 52.86 54.58 1uer s ASN 544 Cb -0.46 0.56 1.53 0.00 -0.55 0.00 0.00 41.25 42.34 1uer s ASN 544 CO 0.51 -0.14 1.98 -0.65 -2.79 0.00 0.00 177.10 176.01 1uer h PRO 545 N 5.46 0.00 0.00 0.43 0.11 -1.96 -1.34 132.00 134.70 1uer h PRO 545 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1uer h PRO 545 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1uer h PRO 545 CO 0.33 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 177.73 1uer h VAL 546 N 0.00 0.00 -0.33 3.15 -1.51 -1.93 -1.77 116.25 113.86 1uer h VAL 546 Ca 0.18 -0.08 -0.07 0.00 -1.23 0.00 0.00 66.70 65.50 1uer h VAL 546 Cb 0.92 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1uer h VAL 546 CO -0.00 0.00 -0.09 -0.09 -1.23 0.00 0.00 177.57 176.16 1uer h ARG 547 N 0.00 0.54 -0.44 5.19 9.65 -1.49 -2.31 114.38 125.52 1uer h ARG 547 Ca 0.00 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.68 1uer h ARG 547 Cb 0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 1uer h ARG 547 CO 0.00 0.64 0.04 0.36 2.80 0.00 0.00 179.97 183.81 1uer n LYS 548 N -4.21 3.52 -0.97 0.20 2.85 -0.84 -4.92 118.16 113.79 1uer n LYS 548 Ca 0.01 -3.01 0.00 0.00 -1.05 0.00 0.00 58.31 54.26 1uer n LYS 548 Cb 0.31 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 1uer n LYS 548 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1uer n GLY 549 N -0.20 0.49 3.96 2.58 0.00 -0.87 -5.05 105.19 106.10 1uer n GLY 549 Ca 0.28 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1uer n GLY 549 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uer s LEU 550 N 0.00 3.06 -0.31 0.99 1.43 -0.73 -4.88 118.68 118.24 1uer s LEU 550 Ca 0.00 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1uer s LEU 550 Cb 0.00 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1uer s LEU 550 CO 0.00 -1.41 0.18 0.20 0.23 0.00 0.00 176.35 175.56 1uer s ASN 551 N -4.49 5.76 -0.29 2.29 0.01 0.08 -3.66 114.94 114.64 1uer s ASN 551 Ca 0.59 -0.40 -0.29 0.00 -0.71 0.00 0.00 52.86 52.06 1uer s ASN 551 Cb -0.10 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1uer s ASN 551 CO 0.42 -0.18 1.26 -2.16 -1.51 0.00 0.00 177.10 174.93 1uer s PRO 552 N 1.67 3.98 -0.27 -0.60 0.04 -1.26 -1.55 135.00 137.00 1uer s PRO 552 Ca 0.06 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1uer s PRO 552 Cb -0.17 -3.84 -0.13 0.00 0.04 0.00 0.00 34.50 30.40 1uer s PRO 552 CO 0.08 -1.04 -0.30 1.28 0.04 0.00 0.00 177.00 177.06 1uer n LEU 553 N 7.39 2.10 -3.71 -3.56 4.77 -0.44 -4.99 117.00 118.55 1uer n LEU 553 Ca 0.14 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1uer n LEU 553 Cb 0.46 -0.84 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 1uer n LEU 553 CO 0.62 0.61 -0.23 -0.22 -1.33 0.00 0.00 177.39 176.84 1uer s LEU 554 N -7.39 0.33 -0.06 2.23 2.96 -1.13 -4.78 118.68 110.83 1uer s LEU 554 Ca -0.38 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1uer s LEU 554 Cb 0.14 0.34 0.01 0.00 0.50 0.00 0.00 46.19 47.18 1uer s LEU 554 CO 0.51 -0.19 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.41 1uer s GLY 555 N 1.71 0.76 -0.18 7.98 0.00 -1.26 -0.42 107.32 115.90 1uer s GLY 555 Ca -0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 1uer s GLY 555 CO -0.06 0.18 0.02 -1.36 0.00 0.00 0.00 173.10 171.88 1uer s PHE 556 N 0.73 3.11 -0.29 1.90 0.08 0.02 -4.77 117.98 118.77 1uer s PHE 556 Ca -0.13 -0.21 -0.26 0.00 0.12 0.00 0.00 56.93 56.45 1uer s PHE 556 Cb -0.16 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.25 1uer s PHE 556 CO 0.03 -0.04 0.90 0.34 -0.10 0.00 0.00 175.22 176.34 1uer s ASP 557 N 0.61 6.82 -0.04 1.36 -1.08 -1.26 -1.65 116.67 121.42 1uer s ASP 557 Ca 0.00 0.92 0.13 0.00 -0.52 0.00 0.00 52.55 53.09 1uer s ASP 557 Cb -0.14 -2.46 0.39 0.00 -1.46 0.00 0.00 42.92 39.25 1uer s ASP 557 CO 0.02 -0.66 1.33 1.33 0.52 0.00 0.00 175.17 177.70 1uer n VAL 558 N 5.53 1.32 -1.74 1.11 0.24 0.17 -4.83 118.33 120.13 1uer n VAL 558 Ca 0.07 -1.20 -0.42 0.00 -2.04 0.00 0.00 64.34 60.75 1uer n VAL 558 Cb 0.47 0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 1uer n VAL 558 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1uer n TRP 559 N 0.39 2.77 0.03 6.34 7.02 -1.19 -4.45 117.44 128.33 1uer n TRP 559 Ca 0.15 0.29 0.15 0.00 -1.02 0.00 0.00 57.50 57.07 1uer n TRP 559 Cb 0.56 -2.57 0.62 0.00 -2.42 0.00 0.00 31.31 27.50 1uer n TRP 559 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1uer h GLU 560 N 4.59 0.12 0.00 -0.99 5.08 -1.92 -1.16 114.58 120.30 1uer h GLU 560 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1uer h GLU 560 Cb 1.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1uer h GLU 560 CO 0.78 0.08 0.00 1.12 -1.00 0.00 0.00 179.01 179.99 1uer h HIS 561 N 0.12 0.00 0.00 4.33 2.07 -1.98 0.30 115.15 120.00 1uer h HIS 561 Ca 0.21 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.72 1uer h HIS 561 Cb 0.67 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.65 1uer h HIS 561 CO -0.00 0.00 -0.04 0.00 -3.07 0.00 0.00 177.93 174.82 1uer h ALA 562 N 2.00 1.00 0.00 6.11 0.00 -1.52 -3.39 119.26 123.46 1uer h ALA 562 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uer h ALA 562 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uer h ALA 562 CO 0.00 0.04 0.00 2.48 0.00 0.00 0.00 179.25 181.77 1uer n TYR 563 N -3.13 0.00 -0.17 0.00 0.18 -0.71 -4.94 117.16 108.39 1uer n TYR 563 Ca 0.01 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.87 1uer n TYR 563 Cb 0.38 0.00 0.37 0.00 -0.38 0.00 0.00 39.34 39.72 1uer n TYR 563 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1uer h TYR 564 N 0.00 0.72 -0.12 -3.48 3.20 -0.63 0.45 116.97 117.11 1uer h TYR 564 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1uer h TYR 564 Cb 0.09 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1uer h TYR 564 CO 0.00 0.37 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.67 1uer h LEU 565 N 0.70 0.18 0.00 2.82 3.38 -1.86 -0.57 115.31 119.96 1uer h LEU 565 Ca 0.31 -0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.89 1uer h LEU 565 Cb 0.31 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1uer h LEU 565 CO -0.10 0.36 -2.35 0.41 0.09 0.00 0.00 178.44 176.84 1uer n THR 566 N -4.27 1.36 0.33 0.22 -1.04 -1.02 -4.76 114.28 105.10 1uer n THR 566 Ca -0.01 -0.60 0.06 0.00 -2.04 0.00 0.00 64.05 61.46 1uer n THR 566 Cb 0.27 -1.13 -0.08 0.00 -1.82 0.00 0.00 70.33 67.58 1uer n THR 566 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1uer n TYR 567 N -3.07 0.00 0.00 -1.42 4.02 0.12 -5.08 117.16 111.73 1uer n TYR 567 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1uer n TYR 567 Cb 1.00 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 1uer n TYR 567 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1uer n GLN 568 N -1.58 0.00 0.00 -0.72 3.00 -0.22 -0.99 117.38 116.88 1uer n GLN 568 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 1uer n GLN 568 Cb 0.25 0.00 0.44 0.00 0.00 0.00 0.00 30.24 30.94 1uer n GLN 568 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1uer n ASN 569 N 3.22 0.00 -3.41 1.08 0.23 -1.26 -4.41 115.26 110.71 1uer n ASN 569 Ca 0.00 -0.10 -0.40 0.00 -0.53 0.00 0.00 54.58 53.55 1uer n ASN 569 Cb 0.00 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.46 1uer n ASN 569 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1uer n ARG 570 N -1.21 3.69 -0.27 -3.83 1.74 -0.16 -4.71 116.66 111.91 1uer n ARG 570 Ca 0.09 -2.46 -0.05 0.00 -0.77 0.00 0.00 57.85 54.66 1uer n ARG 570 Cb 0.11 -2.86 0.06 0.00 -1.02 0.00 0.00 32.46 28.76 1uer n ARG 570 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1uer h ARG 571 N 5.12 0.98 -0.98 5.56 2.43 -1.84 -2.46 114.38 123.18 1uer h ARG 571 Ca 0.80 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.94 1uer h ARG 571 Cb 0.35 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1uer h ARG 571 CO 1.76 0.66 0.65 0.00 -1.51 0.00 0.00 179.97 181.52 1uer h ALA 572 N 1.27 1.36 -0.54 2.80 0.00 -1.95 -0.46 119.26 121.73 1uer h ALA 572 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1uer h ALA 572 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 1uer h ALA 572 CO -0.06 0.55 -0.10 -0.44 0.00 0.00 0.00 179.25 179.20 1uer h ASP 573 N 1.25 1.01 -0.40 0.00 3.32 -1.86 -1.43 116.42 118.30 1uer h ASP 573 Ca 0.39 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1uer h ASP 573 Cb 0.00 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1uer h ASP 573 CO -0.12 1.12 0.20 -0.74 -1.72 0.00 0.00 179.24 177.98 1uer h HIS 574 N 0.90 0.58 -0.91 4.55 -0.00 -0.91 -1.46 115.15 117.90 1uer h HIS 574 Ca 0.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1uer h HIS 574 Cb 0.66 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1uer h HIS 574 CO 0.04 0.47 0.56 -0.07 -0.00 0.00 0.00 177.93 178.93 1uer h LEU 575 N 0.52 1.08 -0.61 0.26 3.38 -0.92 -1.43 115.31 117.59 1uer h LEU 575 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uer h LEU 575 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1uer h LEU 575 CO -0.02 0.82 0.39 0.11 0.09 0.00 0.00 178.44 179.83 1uer h LYS 576 N 1.25 0.81 0.00 1.13 1.57 -0.95 -2.85 116.57 117.53 1uer h LYS 576 Ca 0.33 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1uer h LYS 576 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1uer h LYS 576 CO -0.06 0.55 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.59 1uer h ASP 577 N 0.82 0.00 -0.25 0.86 3.32 -0.54 -3.23 116.42 117.40 1uer h ASP 577 Ca 0.22 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1uer h ASP 577 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1uer h ASP 577 CO -0.05 0.33 0.17 -0.07 -1.72 0.00 0.00 179.24 177.91 1uer h LEU 578 N 0.00 0.22 -1.73 1.55 3.38 -1.03 -1.72 115.31 115.98 1uer h LEU 578 Ca -0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1uer h LEU 578 Cb 0.72 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1uer h LEU 578 CO 0.04 0.15 0.26 -0.50 0.09 0.00 0.00 178.44 178.48 1uer h TRP 579 N 0.26 0.34 0.00 1.13 4.06 -1.68 -1.11 115.95 118.94 1uer h TRP 579 Ca 0.10 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1uer h TRP 579 Cb 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1uer h TRP 579 CO -0.00 0.19 0.00 0.66 -3.56 0.00 0.00 178.44 175.73 1uer h SER 580 N 0.35 0.00 -0.14 -3.49 4.64 -1.53 -2.87 113.55 110.51 1uer h SER 580 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1uer h SER 580 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1uer h SER 580 CO -0.04 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.22 1uer n ILE 581 N -2.94 0.76 -2.46 0.95 -5.35 -0.44 -3.35 119.36 106.54 1uer n ILE 581 Ca -0.01 -0.88 -0.42 0.00 -0.27 0.00 0.00 62.75 61.17 1uer n ILE 581 Cb 0.15 0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 1uer n ILE 581 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1uer s VAL 582 N -0.88 4.10 -0.64 7.28 1.01 -1.08 -1.28 120.40 128.91 1uer s VAL 582 Ca 0.11 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 1uer s VAL 582 Cb 0.06 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1uer s VAL 582 CO 0.08 0.14 0.76 -0.62 0.00 0.00 0.00 175.10 175.45 1uer s ASP 583 N 0.92 6.25 0.55 3.32 -1.08 -0.33 -1.41 116.67 124.89 1uer s ASP 583 Ca 0.57 -1.54 0.31 0.00 -0.52 0.00 0.00 52.55 51.38 1uer s ASP 583 Cb -0.29 -2.31 1.56 0.00 -1.46 0.00 0.00 42.92 40.42 1uer s ASP 583 CO 0.30 -1.10 2.08 -0.50 0.52 0.00 0.00 175.17 176.47 1uer h TRP 584 N 9.10 0.00 -0.93 -5.34 4.06 -1.87 -1.50 115.95 119.47 1uer h TRP 584 Ca -0.23 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 1uer h TRP 584 Cb 1.08 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.19 1uer h TRP 584 CO 0.88 0.08 0.55 -0.44 -3.56 0.00 0.00 178.44 175.96 1uer h ASP 585 N 0.00 1.12 -0.25 -3.49 5.19 -1.96 0.15 116.42 117.18 1uer h ASP 585 Ca -0.00 -0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.21 1uer h ASP 585 Cb 0.35 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 1uer h ASP 585 CO 0.01 0.87 -0.34 0.40 -3.12 0.00 0.00 179.24 177.06 1uer h ILE 586 N 1.28 1.31 -0.64 0.35 2.04 -1.66 -2.63 117.51 117.57 1uer h ILE 586 Ca 0.33 -1.53 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 1uer h ILE 586 Cb -0.04 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1uer h ILE 586 CO -0.06 0.48 0.14 0.58 0.00 0.00 0.00 178.15 179.30 1uer h VAL 587 N 0.39 1.26 0.00 1.67 2.07 -1.05 -2.08 116.25 118.50 1uer h VAL 587 Ca 0.03 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1uer h VAL 587 Cb 0.92 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1uer h VAL 587 CO 0.08 0.36 -0.18 -0.33 0.02 0.00 0.00 177.57 177.51 1uer h GLU 588 N 0.95 0.00 0.00 1.57 5.08 -0.71 -1.57 114.58 119.90 1uer h GLU 588 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1uer h GLU 588 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1uer h GLU 588 CO 0.00 0.18 0.00 0.77 -1.00 0.00 0.00 179.01 178.97 1uer h SER 589 N 0.00 0.00 0.30 1.42 0.02 -0.99 -2.49 113.55 111.82 1uer h SER 589 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uer h SER 589 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1uer h SER 589 CO 0.02 0.00 -0.65 0.54 -1.14 0.00 0.00 176.83 175.61 1uer n ARG 590 N -2.35 0.09 0.00 3.45 1.74 -0.59 -5.10 116.66 113.90 1uer n ARG 590 Ca 0.02 -0.06 0.14 0.00 -0.77 0.00 0.00 57.85 57.17 1uer n ARG 590 Cb 0.26 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.64 1uer n ARG 590 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09