#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtr s HIS 402 N 0.00 3.25 0.13 0.66 4.02 -1.26 -5.03 115.29 117.05 3mtr s HIS 402 Ca 0.00 1.27 -0.05 0.00 1.02 0.00 0.00 55.06 57.30 3mtr s HIS 402 Cb 0.00 -3.43 -0.05 0.00 -1.02 0.00 0.00 32.58 28.08 3mtr s HIS 402 CO 0.00 -0.60 0.36 -1.64 1.02 0.00 0.00 174.74 173.88 3mtr s MET 403 N 3.34 3.61 -0.00 1.40 1.00 -1.26 -4.74 119.30 122.65 3mtr s MET 403 Ca 0.43 -0.09 -0.28 0.00 0.00 0.00 0.00 55.69 55.75 3mtr s MET 403 Cb -0.14 -2.88 0.09 0.00 0.00 0.00 0.00 34.83 31.90 3mtr s MET 403 CO 0.11 0.49 0.77 1.52 0.00 0.00 0.00 175.02 177.91 3mtr s TYR 404 N -1.61 -0.49 0.65 -0.03 -0.85 -0.07 -5.01 117.35 109.93 3mtr s TYR 404 Ca 0.39 0.58 -0.16 0.00 -0.52 0.00 0.00 57.07 57.37 3mtr s TYR 404 Cb -0.12 0.49 -0.01 0.00 0.38 0.00 0.00 41.96 42.70 3mtr s TYR 404 CO 0.24 -0.61 1.12 0.00 -1.52 0.00 0.00 175.55 174.78 3mtr s ALA 405 N -2.38 2.48 0.38 9.51 0.00 -1.26 -3.84 121.76 126.65 3mtr s ALA 405 Ca -0.02 0.60 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 3mtr s ALA 405 Cb -0.01 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 3mtr s ALA 405 CO -0.03 -1.25 1.46 -2.30 0.00 0.00 0.00 175.76 173.64 3mtr n PRO 406 N -2.29 2.57 -4.73 0.00 -0.02 -1.26 -4.84 135.00 124.42 3mtr n PRO 406 Ca 0.11 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3mtr n PRO 406 Cb 0.52 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 3mtr n PRO 406 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mtr s LYS 407 N -2.10 3.38 0.12 -0.52 -0.14 0.27 -4.53 119.74 116.22 3mtr s LYS 407 Ca 0.54 -0.66 0.10 0.00 -1.36 0.00 0.00 55.97 54.59 3mtr s LYS 407 Cb -0.49 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.97 3mtr s LYS 407 CO 0.63 0.24 -0.25 -0.51 -0.76 0.00 0.00 175.35 174.70 3mtr s LEU 408 N 0.29 2.31 0.10 3.17 1.43 -1.26 -1.01 118.68 123.69 3mtr s LEU 408 Ca -0.09 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 3mtr s LEU 408 Cb -0.15 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.96 3mtr s LEU 408 CO 0.05 0.16 0.41 0.00 0.23 0.00 0.00 176.35 177.20 3mtr s GLN 409 N -1.97 1.02 0.00 1.70 -2.07 -0.88 -4.99 119.66 112.46 3mtr s GLN 409 Ca 0.12 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.09 3mtr s GLN 409 Cb -0.10 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 3mtr s GLN 409 CO 0.05 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 3mtr n GLY 410 N 0.04 -0.12 3.79 2.60 0.00 -1.26 -1.18 105.19 109.05 3mtr n GLY 410 Ca -0.17 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 3mtr n GLY 410 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mtr s PRO 411 N -2.00 2.58 -0.02 1.61 0.04 -1.26 -4.95 135.00 131.00 3mtr s PRO 411 Ca 0.00 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 3mtr s PRO 411 Cb 0.00 -1.94 -0.22 0.00 0.04 0.00 0.00 34.50 32.38 3mtr s PRO 411 CO 0.00 -1.39 1.09 0.28 0.04 0.00 0.00 177.00 177.03 3mtr h VAL 412 N -0.79 1.47 -4.01 -0.36 2.07 -1.95 -3.46 116.25 109.22 3mtr h VAL 412 Ca -0.44 -1.94 -0.44 0.00 0.82 0.00 0.00 66.70 64.70 3mtr h VAL 412 Cb 1.23 2.59 -0.24 0.00 -1.52 0.00 0.00 31.29 33.35 3mtr h VAL 412 CO 0.54 0.55 -0.79 0.00 0.02 0.00 0.00 177.57 177.89 3mtr s ALA 413 N -3.29 1.18 -0.03 1.67 0.00 -1.26 -1.46 121.76 118.57 3mtr s ALA 413 Ca -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3mtr s ALA 413 Cb 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3mtr s ALA 413 CO 0.78 0.21 -0.10 0.08 0.00 0.00 0.00 175.76 176.73 3mtr s VAL 414 N -0.97 0.88 -0.01 0.00 1.01 -0.32 -4.95 120.40 116.04 3mtr s VAL 414 Ca 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3mtr s VAL 414 Cb -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3mtr s VAL 414 CO 0.02 0.28 -0.09 -0.31 0.00 0.00 0.00 175.10 174.99 3mtr s TYR 415 N 0.29 2.82 0.37 5.22 1.51 -1.26 -0.29 117.35 126.01 3mtr s TYR 415 Ca -0.05 -0.07 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 3mtr s TYR 415 Cb -0.10 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 3mtr s TYR 415 CO 0.01 0.32 0.83 -0.08 -1.11 0.00 0.00 175.55 175.52 3mtr s THR 416 N -0.92 0.00 0.31 -0.71 -1.32 -0.76 -4.92 115.64 107.33 3mtr s THR 416 Ca 0.15 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 59.76 3mtr s THR 416 Cb -0.11 -2.95 -0.06 0.00 -1.51 0.00 0.00 72.50 67.87 3mtr s THR 416 CO 0.05 0.00 -0.07 -1.66 -2.21 0.00 0.00 174.62 170.73 3mtr s TRP 417 N -2.17 2.17 0.27 9.09 -2.14 -1.26 -0.80 118.94 124.10 3mtr s TRP 417 Ca 0.17 -0.61 -0.31 0.00 2.66 0.00 0.00 56.10 58.01 3mtr s TRP 417 Cb -0.05 -1.25 -0.12 0.00 -3.10 0.00 0.00 33.47 28.95 3mtr s TRP 417 CO 0.11 0.42 1.61 0.39 -2.66 0.00 0.00 176.95 176.81 3mtr n GLU 418 N -0.69 2.66 -0.54 3.25 1.02 -1.26 -1.71 120.64 123.36 3mtr n GLU 418 Ca -0.05 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 3mtr n GLU 418 Cb 0.64 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 3mtr n GLU 418 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mtr n GLY 419 N 2.58 1.11 3.35 0.62 0.00 0.23 -4.99 105.19 108.08 3mtr n GLY 419 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3mtr n GLY 419 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mtr s ASN 420 N -3.08 4.50 0.35 1.61 3.84 -0.70 -4.94 114.94 116.52 3mtr s ASN 420 Ca 0.00 -0.34 -0.28 0.00 0.21 0.00 0.00 52.86 52.45 3mtr s ASN 420 Cb 0.00 -1.78 -0.11 0.00 -0.55 0.00 0.00 41.25 38.81 3mtr s ASN 420 CO 0.00 -0.01 1.37 -1.10 -2.79 0.00 0.00 177.10 174.57 3mtr s GLN 421 N 1.46 4.27 0.01 0.43 -0.21 -1.26 -4.46 119.66 119.90 3mtr s GLN 421 Ca 0.05 2.34 -0.06 0.00 0.02 0.00 0.00 55.36 57.71 3mtr s GLN 421 Cb -0.14 -3.03 -0.00 0.00 1.00 0.00 0.00 33.01 30.83 3mtr s GLN 421 CO -0.01 -0.31 0.12 0.54 -2.12 0.00 0.00 175.29 173.50 3mtr s VAL 422 N -1.12 0.10 -0.14 1.09 0.11 -0.85 -4.99 120.40 114.59 3mtr s VAL 422 Ca 0.50 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 3mtr s VAL 422 Cb -0.42 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 3mtr s VAL 422 CO 0.56 -0.44 0.02 0.20 -3.33 0.00 0.00 175.10 172.11 3mtr s ASN 423 N -1.58 5.30 -0.19 3.54 0.01 -1.26 -1.31 114.94 119.45 3mtr s ASN 423 Ca -0.13 0.06 -0.14 0.00 -0.71 0.00 0.00 52.86 51.94 3mtr s ASN 423 Cb -0.06 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 3mtr s ASN 423 CO -0.00 0.24 0.30 -0.63 -1.51 0.00 0.00 177.10 175.51 3mtr s ILE 424 N -0.07 5.28 -0.21 0.60 1.01 0.40 -4.91 121.20 123.30 3mtr s ILE 424 Ca 0.04 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 3mtr s ILE 424 Cb -0.13 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3mtr s ILE 424 CO 0.02 0.33 0.22 -0.89 0.00 0.00 0.00 174.94 174.61 3mtr s THR 425 N 0.91 5.33 -0.39 2.92 2.01 -1.26 -1.56 115.64 123.61 3mtr s THR 425 Ca 0.15 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.52 3mtr s THR 425 Cb -0.14 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 68.93 3mtr s THR 425 CO 0.05 0.36 0.13 0.00 -0.69 0.00 0.00 174.62 174.47 3mtr s GLU 427 N 0.67 4.80 -0.03 0.00 2.02 -0.33 -0.71 118.70 125.12 3mtr s GLU 427 Ca 0.13 1.47 0.03 0.00 0.02 0.00 0.00 54.97 56.62 3mtr s GLU 427 Cb -0.21 -3.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.71 3mtr s GLU 427 CO -0.08 0.42 -0.12 0.54 0.02 0.00 0.00 175.26 176.04 3mtr s VAL 428 N -0.79 1.01 -0.16 2.63 0.11 -0.67 -2.07 120.40 120.46 3mtr s VAL 428 Ca 0.43 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 3mtr s VAL 428 Cb -0.25 -0.87 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3mtr s VAL 428 CO 0.31 0.30 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.93 3mtr s PHE 429 N 0.01 1.95 -0.19 1.54 0.40 -0.18 -4.73 117.98 116.78 3mtr s PHE 429 Ca -0.01 -1.19 -0.22 0.00 -0.60 0.00 0.00 56.93 54.91 3mtr s PHE 429 Cb -0.08 -1.45 0.06 0.00 0.51 0.00 0.00 43.02 42.06 3mtr s PHE 429 CO 0.01 -0.64 0.60 0.00 0.70 0.00 0.00 175.22 175.88 3mtr s ALA 430 N 1.55 -1.50 -0.04 5.36 0.00 -1.26 -0.56 121.76 125.30 3mtr s ALA 430 Ca 0.02 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 3mtr s ALA 430 Cb -0.14 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3mtr s ALA 430 CO -0.09 -0.30 0.07 -0.47 0.00 0.00 0.00 175.76 174.97 3mtr s TYR 431 N -0.00 0.02 1.12 0.00 5.04 -1.25 -3.97 117.35 118.30 3mtr s TYR 431 Ca -0.02 0.28 -0.13 0.00 -2.44 0.00 0.00 57.07 54.75 3mtr s TYR 431 Cb -0.04 -0.40 0.25 0.00 0.35 0.00 0.00 41.96 42.12 3mtr s TYR 431 CO 0.02 -0.18 1.05 -2.14 -1.34 0.00 0.00 175.55 172.97 3mtr s PRO 432 N 1.97 -0.54 0.57 4.97 0.02 -1.26 -0.89 135.00 139.83 3mtr s PRO 432 Ca 0.02 0.59 -0.20 0.00 0.02 0.00 0.00 61.00 61.43 3mtr s PRO 432 Cb -0.12 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 3mtr s PRO 432 CO -0.03 -3.41 1.27 -1.54 -0.33 0.00 0.00 177.00 172.96 3mtr s SER 433 N -3.01 5.20 0.18 2.53 1.04 -1.26 -4.79 113.70 113.59 3mtr s SER 433 Ca 0.67 2.56 0.04 0.00 0.48 0.00 0.00 55.95 59.70 3mtr s SER 433 Cb -0.21 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.26 3mtr s SER 433 CO 0.61 -1.60 0.27 0.00 0.98 0.00 0.00 173.24 173.51 3mtr s ALA 434 N -1.44 3.88 -0.15 5.32 0.00 -1.26 -4.73 121.76 123.37 3mtr s ALA 434 Ca 0.75 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3mtr s ALA 434 Cb -0.35 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3mtr s ALA 434 CO 0.40 0.45 0.09 0.99 0.00 0.00 0.00 175.76 177.68 3mtr s THR 435 N -1.82 5.06 -0.14 0.00 2.01 -0.01 -4.87 115.64 115.87 3mtr s THR 435 Ca 0.34 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.37 3mtr s THR 435 Cb -0.10 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 3mtr s THR 435 CO 0.28 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.02 3mtr s ILE 436 N -0.31 3.46 0.04 1.82 1.09 -1.26 -1.09 121.20 124.95 3mtr s ILE 436 Ca 0.10 -0.52 0.07 0.00 -1.10 0.00 0.00 60.65 59.20 3mtr s ILE 436 Cb -0.12 -2.48 -0.02 0.00 -1.06 0.00 0.00 42.46 38.77 3mtr s ILE 436 CO 0.01 0.51 -0.20 -0.44 -0.10 0.00 0.00 174.94 174.73 3mtr s SER 437 N 0.35 2.34 -0.03 3.58 0.01 0.82 -4.98 113.70 115.79 3mtr s SER 437 Ca -0.08 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.71 3mtr s SER 437 Cb -0.15 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 3mtr s SER 437 CO 0.04 0.14 -0.13 0.26 0.41 0.00 0.00 173.24 173.97 3mtr s TRP 438 N -0.82 2.74 0.04 2.43 0.52 -1.26 -0.45 118.94 122.14 3mtr s TRP 438 Ca 0.06 -0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.09 3mtr s TRP 438 Cb -0.09 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 3mtr s TRP 438 CO 0.02 0.25 -0.10 -0.06 0.02 0.00 0.00 176.95 177.07 3mtr s PHE 439 N -0.82 0.90 -0.08 -1.98 0.08 -0.03 -0.54 117.98 115.50 3mtr s PHE 439 Ca 0.13 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.71 3mtr s PHE 439 Cb -0.11 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 3mtr s PHE 439 CO 0.03 -0.01 0.26 0.50 -0.10 0.00 0.00 175.22 175.89 3mtr s ARG 440 N -1.19 0.36 -1.53 0.44 3.52 -0.61 -1.43 118.95 118.51 3mtr s ARG 440 Ca -0.03 0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.69 3mtr s ARG 440 Cb -0.08 0.17 0.11 0.00 -1.56 0.00 0.00 34.95 33.59 3mtr s ARG 440 CO 0.01 -0.06 0.77 -0.25 -0.81 0.00 0.00 175.30 174.96 3mtr n ASP 441 N 2.67 -3.96 0.00 -2.12 8.00 -1.26 -1.77 116.55 118.10 3mtr n ASP 441 Ca -0.14 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3mtr n ASP 441 Cb 0.58 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 3mtr n ASP 441 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mtr n GLY 442 N -1.42 2.70 3.86 0.44 0.00 -1.26 -5.01 105.19 104.50 3mtr n GLY 442 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3mtr n GLY 442 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mtr s GLN 443 N -0.11 3.24 0.41 1.61 -0.21 -0.73 -5.07 119.66 118.81 3mtr s GLN 443 Ca 0.00 -0.49 -0.24 0.00 0.02 0.00 0.00 55.36 54.65 3mtr s GLN 443 Cb 0.00 -2.94 -0.08 0.00 1.00 0.00 0.00 33.01 30.98 3mtr s GLN 443 CO 0.00 0.62 1.15 -0.51 -2.12 0.00 0.00 175.29 174.42 3mtr s LEU 444 N -2.26 4.14 0.07 2.90 1.43 -1.26 -1.57 118.68 122.14 3mtr s LEU 444 Ca 0.30 2.28 0.03 0.00 -1.03 0.00 0.00 54.13 55.72 3mtr s LEU 444 Cb -0.13 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 3mtr s LEU 444 CO 0.23 -0.70 0.06 -0.76 0.23 0.00 0.00 176.35 175.41 3mtr s LEU 445 N -2.64 3.74 0.60 1.79 1.43 0.30 -3.75 118.68 120.15 3mtr s LEU 445 Ca 0.59 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.47 3mtr s LEU 445 Cb -0.29 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3mtr s LEU 445 CO 0.36 0.18 1.18 -2.84 0.23 0.00 0.00 176.35 175.46 3mtr s PRO 446 N -2.31 2.98 0.40 1.29 0.02 -1.26 -4.70 135.00 131.41 3mtr s PRO 446 Ca 0.28 1.72 0.03 0.00 0.02 0.00 0.00 61.00 63.06 3mtr s PRO 446 Cb -0.12 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3mtr s PRO 446 CO 0.21 -1.18 0.08 -1.54 -0.33 0.00 0.00 177.00 174.24 3mtr s SER 447 N -1.78 2.93 0.19 2.53 1.04 -0.63 -4.99 113.70 112.99 3mtr s SER 447 Ca 0.75 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 3mtr s SER 447 Cb -0.28 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.27 3mtr s SER 447 CO 0.33 -0.80 1.84 0.28 0.98 0.00 0.00 173.24 175.88 3mtr h SER 448 N 1.82 0.66 0.49 7.02 0.02 -1.98 -2.84 113.55 118.73 3mtr h SER 448 Ca -0.39 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.35 3mtr h SER 448 Cb 1.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3mtr h SER 448 CO 0.65 0.46 -0.91 -1.13 -1.14 0.00 0.00 176.83 174.76 3mtr h ASN 449 N 0.79 0.37 -3.22 3.07 -0.73 -1.99 -3.38 115.58 110.48 3mtr h ASN 449 Ca 0.24 -0.30 -0.62 0.00 1.87 0.00 0.00 56.30 57.50 3mtr h ASN 449 Cb -0.02 -0.11 -0.41 0.00 0.27 0.00 0.00 38.32 38.05 3mtr h ASN 449 CO -0.09 1.10 -0.63 -0.31 -0.37 0.00 0.00 177.43 177.14 3mtr s TYR 450 N -3.22 3.20 -0.50 0.67 2.02 -1.17 -4.92 117.35 113.45 3mtr s TYR 450 Ca -0.04 -3.18 0.15 0.00 -0.37 0.00 0.00 57.07 53.63 3mtr s TYR 450 Cb 0.10 -2.51 -0.19 0.00 -0.40 0.00 0.00 41.96 38.95 3mtr s TYR 450 CO 0.84 -0.61 0.55 -1.13 -1.57 0.00 0.00 175.55 173.64 3mtr n SER 451 N 2.28 0.94 -3.44 2.29 3.41 -1.08 -1.60 113.62 116.41 3mtr n SER 451 Ca 0.18 -0.58 -0.40 0.00 -0.26 0.00 0.00 58.87 57.81 3mtr n SER 451 Cb 0.36 1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 65.53 3mtr n SER 451 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mtr n ASN 452 N -1.59 8.12 -3.75 4.04 3.02 -1.26 -4.87 115.26 118.97 3mtr n ASN 452 Ca 0.01 -3.07 -0.12 0.00 -0.03 0.00 0.00 54.58 51.36 3mtr n ASN 452 Cb 0.30 -1.38 -0.12 0.00 -0.61 0.00 0.00 39.78 37.96 3mtr n ASN 452 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mtr s ILE 453 N -0.76 -0.02 0.10 2.41 1.01 -1.26 -1.12 121.20 121.55 3mtr s ILE 453 Ca 0.56 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.37 3mtr s ILE 453 Cb 0.19 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 3mtr s ILE 453 CO -0.09 0.04 -0.17 -0.54 0.00 0.00 0.00 174.94 174.17 3mtr s LYS 454 N 0.83 1.00 -0.12 2.79 -0.14 -0.44 -4.74 119.74 118.91 3mtr s LYS 454 Ca -0.06 -1.10 -0.02 0.00 -1.36 0.00 0.00 55.97 53.43 3mtr s LYS 454 Cb -0.07 -1.11 -0.03 0.00 -1.68 0.00 0.00 37.83 34.95 3mtr s LYS 454 CO -0.05 0.25 -0.06 0.42 -0.76 0.00 0.00 175.35 175.14 3mtr s ILE 455 N -1.36 3.71 -0.27 2.17 1.01 -1.26 0.11 121.20 125.30 3mtr s ILE 455 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3mtr s ILE 455 Cb -0.09 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.84 3mtr s ILE 455 CO 0.03 0.53 -0.05 -0.31 0.00 0.00 0.00 174.94 175.15 3mtr s TYR 456 N -0.03 3.17 -0.17 3.97 2.02 0.43 -4.98 117.35 121.76 3mtr s TYR 456 Ca 0.00 -1.82 -0.09 0.00 -0.37 0.00 0.00 57.07 54.79 3mtr s TYR 456 Cb -0.13 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 3mtr s TYR 456 CO 0.03 -0.79 0.13 -0.80 -1.57 0.00 0.00 175.55 172.55 3mtr s ASN 457 N 1.25 6.23 0.24 2.29 0.02 -1.26 -0.94 114.94 122.78 3mtr s ASN 457 Ca -0.03 0.30 0.06 0.00 -1.02 0.00 0.00 52.86 52.17 3mtr s ASN 457 Cb -0.18 -2.07 -0.05 0.00 0.02 0.00 0.00 41.25 38.96 3mtr s ASN 457 CO -0.03 0.26 -0.06 0.42 0.02 0.00 0.00 177.10 177.70 3mtr s THR 458 N -0.13 1.47 0.56 1.60 -4.23 -0.26 -5.02 115.64 109.63 3mtr s THR 458 Ca 0.10 -2.11 0.27 0.00 -1.18 0.00 0.00 61.69 58.77 3mtr s THR 458 Cb -0.11 -2.30 0.39 0.00 1.34 0.00 0.00 72.50 71.82 3mtr s THR 458 CO 0.00 -0.40 1.99 -0.65 -0.54 0.00 0.00 174.62 175.03 3mtr h PRO 459 N 2.42 0.00 -0.01 3.99 0.11 -2.01 -3.00 132.00 133.51 3mtr h PRO 459 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mtr h PRO 459 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mtr h PRO 459 CO 0.65 0.00 -0.30 -1.13 -0.21 0.00 0.00 178.00 177.01 3mtr n SER 460 N -4.10 1.07 -3.58 -2.05 3.41 -1.26 -4.93 113.62 102.18 3mtr n SER 460 Ca 0.08 -1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 57.54 3mtr n SER 460 Cb 0.57 0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 65.08 3mtr n SER 460 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mtr s ALA 461 N -1.60 -1.90 -0.06 7.33 0.00 -1.13 -1.67 121.76 122.73 3mtr s ALA 461 Ca 0.08 1.62 0.02 0.00 0.00 0.00 0.00 51.96 53.68 3mtr s ALA 461 Cb 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3mtr s ALA 461 CO 0.32 -0.31 -0.10 0.45 0.00 0.00 0.00 175.76 176.13 3mtr s SER 462 N -0.75 4.41 -0.14 0.00 0.15 0.11 -1.10 113.70 116.38 3mtr s SER 462 Ca -0.02 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.56 3mtr s SER 462 Cb -0.02 -1.07 0.01 0.00 -1.71 0.00 0.00 66.02 63.24 3mtr s SER 462 CO 0.01 0.35 -0.21 -0.31 1.20 0.00 0.00 173.24 174.29 3mtr s TYR 463 N -0.75 2.58 -0.38 3.44 2.02 -0.11 -0.47 117.35 123.68 3mtr s TYR 463 Ca 0.11 -1.31 -0.17 0.00 -0.37 0.00 0.00 57.07 55.33 3mtr s TYR 463 Cb -0.11 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3mtr s TYR 463 CO 0.01 -0.61 0.45 -1.17 -1.57 0.00 0.00 175.55 172.66 3mtr s LEU 464 N 0.89 4.56 -0.42 -1.29 2.96 -0.60 -0.43 118.68 124.35 3mtr s LEU 464 Ca -0.06 -0.34 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 3mtr s LEU 464 Cb -0.15 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.10 3mtr s LEU 464 CO -0.03 -0.50 0.57 -1.83 -1.32 0.00 0.00 176.35 173.24 3mtr s GLU 465 N 2.23 3.26 -0.11 1.98 -1.05 0.12 -0.45 118.70 124.68 3mtr s GLU 465 Ca 0.15 -0.46 -0.01 0.00 -0.15 0.00 0.00 54.97 54.50 3mtr s GLU 465 Cb -0.16 -3.94 -0.02 0.00 -0.44 0.00 0.00 34.13 29.56 3mtr s GLU 465 CO 0.13 -0.93 -0.08 0.08 0.95 0.00 0.00 175.26 175.41 3mtr s VAL 466 N 2.58 3.51 -0.44 1.83 1.01 -0.43 -1.33 120.40 127.12 3mtr s VAL 466 Ca 0.19 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3mtr s VAL 466 Cb -0.15 -2.47 0.12 0.00 0.00 0.00 0.00 36.38 33.87 3mtr s VAL 466 CO 0.17 0.54 0.18 -0.89 0.00 0.00 0.00 175.10 175.11 3mtr s THR 467 N -0.08 2.64 0.24 3.92 2.01 -0.27 -2.01 115.64 122.08 3mtr s THR 467 Ca 0.00 -2.76 -0.30 0.00 0.31 0.00 0.00 61.69 58.94 3mtr s THR 467 Cb -0.13 -2.86 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 3mtr s THR 467 CO 0.03 -0.71 1.33 -2.84 -0.69 0.00 0.00 174.62 171.74 3mtr s PRO 468 N 0.37 4.37 -0.02 4.92 0.02 -1.26 -4.74 135.00 138.65 3mtr s PRO 468 Ca 0.14 2.14 0.15 0.00 0.02 0.00 0.00 61.00 63.44 3mtr s PRO 468 Cb -0.22 -3.15 -0.22 0.00 0.02 0.00 0.00 34.50 30.93 3mtr s PRO 468 CO -0.04 -0.25 0.31 -0.25 -0.33 0.00 0.00 177.00 176.44 3mtr n ASP 469 N 2.08 1.69 -3.80 2.53 8.00 -1.26 0.75 116.55 126.54 3mtr n ASP 469 Ca 0.05 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.44 3mtr n ASP 469 Cb 0.42 1.65 -0.05 0.00 -0.02 0.00 0.00 41.12 43.12 3mtr n ASP 469 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3mtr s SER 470 N -3.69 0.16 0.47 -2.24 1.04 -1.26 -4.87 113.70 103.31 3mtr s SER 470 Ca -0.05 -1.10 0.18 0.00 0.48 0.00 0.00 55.95 55.46 3mtr s SER 470 Cb 0.09 0.60 1.17 0.00 0.10 0.00 0.00 66.02 67.98 3mtr s SER 470 CO 0.60 -1.18 1.98 -0.33 0.98 0.00 0.00 173.24 175.30 3mtr h GLU 471 N 2.24 0.24 0.00 4.02 4.39 -1.97 -2.08 114.58 121.42 3mtr h GLU 471 Ca -0.28 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3mtr h GLU 471 Cb 1.25 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3mtr h GLU 471 CO 0.38 0.16 0.00 -0.91 -1.16 0.00 0.00 179.01 177.48 3mtr h ASN 472 N 0.25 0.00 1.52 1.42 4.21 -2.01 -2.85 115.58 118.13 3mtr h ASN 472 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 3mtr h ASN 472 Cb 0.73 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.93 3mtr h ASN 472 CO -0.06 0.00 0.00 0.44 -1.29 0.00 0.00 177.43 176.52 3mtr h ASP 473 N 0.00 0.00 -3.73 5.81 3.32 -1.75 -3.44 116.42 116.62 3mtr h ASP 473 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 3mtr h ASP 473 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3mtr h ASP 473 CO 0.00 0.00 0.16 -0.36 -1.72 0.00 0.00 179.24 177.32 3mtr s PHE 474 N -3.43 3.49 -4.37 4.55 0.08 -1.08 -4.94 117.98 112.28 3mtr s PHE 474 Ca 0.04 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.47 3mtr s PHE 474 Cb 0.07 -2.64 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 3mtr s PHE 474 CO 0.61 0.16 0.00 0.41 -0.10 0.00 0.00 175.22 176.30 3mtr n GLY 475 N 0.05 0.81 3.77 4.36 0.00 -0.56 -4.98 105.19 108.65 3mtr n GLY 475 Ca 0.02 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 3mtr n GLY 475 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mtr s ASN 476 N -4.00 7.15 0.09 1.61 0.01 -1.26 -0.34 114.94 118.20 3mtr s ASN 476 Ca 0.00 1.36 0.07 0.00 -0.71 0.00 0.00 52.86 53.58 3mtr s ASN 476 Cb 0.00 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 3mtr s ASN 476 CO 0.00 0.15 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.26 3mtr s TYR 477 N -0.63 1.52 -0.05 2.20 2.02 -0.53 -4.77 117.35 117.11 3mtr s TYR 477 Ca 0.33 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3mtr s TYR 477 Cb -0.20 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 3mtr s TYR 477 CO 0.21 0.14 -0.15 1.21 -1.57 0.00 0.00 175.55 175.39 3mtr s ASN 478 N -1.91 2.01 -0.22 2.29 3.84 -0.51 -0.32 114.94 120.12 3mtr s ASN 478 Ca 0.03 -0.33 -0.09 0.00 0.21 0.00 0.00 52.86 52.68 3mtr s ASN 478 Cb -0.09 -0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 39.86 3mtr s ASN 478 CO 0.03 0.11 0.11 0.00 -2.79 0.00 0.00 177.10 174.56 3mtr s THR 480 N 0.84 1.92 -0.04 0.00 2.01 0.41 -0.39 115.64 120.39 3mtr s THR 480 Ca 0.06 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.16 3mtr s THR 480 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3mtr s THR 480 CO 0.02 0.53 -0.25 0.00 -0.69 0.00 0.00 174.62 174.24 3mtr s ALA 481 N 0.09 2.18 -0.05 7.40 0.00 -0.03 -0.13 121.76 131.23 3mtr s ALA 481 Ca -0.10 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3mtr s ALA 481 Cb -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3mtr s ALA 481 CO 0.05 0.48 -0.08 0.08 0.00 0.00 0.00 175.76 176.29 3mtr s VAL 482 N -0.41 0.80 0.00 0.00 1.01 -0.25 -1.75 120.40 119.79 3mtr s VAL 482 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3mtr s VAL 482 Cb -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3mtr s VAL 482 CO 0.01 0.28 0.00 -0.46 0.00 0.00 0.00 175.10 174.93 3mtr n ASN 483 N 3.89 0.65 0.26 3.32 6.94 -0.26 -0.83 115.26 129.23 3mtr n ASN 483 Ca -0.24 -0.64 0.10 0.00 -0.02 0.00 0.00 54.58 53.77 3mtr n ASN 483 Cb 0.51 0.00 0.69 0.00 -2.36 0.00 0.00 39.78 38.62 3mtr n ASN 483 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3mtr h ARG 484 N 0.00 0.00 0.06 -3.83 2.43 -1.86 -2.82 114.38 108.36 3mtr h ARG 484 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3mtr h ARG 484 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3mtr h ARG 484 CO 0.00 0.06 -1.87 -0.89 -1.51 0.00 0.00 179.97 175.76 3mtr n ILE 485 N -4.20 1.69 -3.09 1.20 2.08 -1.26 -5.06 119.36 110.73 3mtr n ILE 485 Ca -0.03 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.56 3mtr n ILE 485 Cb 0.14 -1.39 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 3mtr n ILE 485 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mtr n GLY 486 N 1.79 -0.55 3.13 7.39 0.00 -1.07 -4.82 105.19 111.07 3mtr n GLY 486 Ca -0.25 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 3mtr n GLY 486 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mtr s GLN 487 N -0.81 0.76 0.03 1.61 -2.07 -1.26 -1.10 119.66 116.81 3mtr s GLN 487 Ca 0.00 -1.31 -0.12 0.00 -1.82 0.00 0.00 55.36 52.11 3mtr s GLN 487 Cb 0.00 0.05 0.02 0.00 -1.09 0.00 0.00 33.01 31.99 3mtr s GLN 487 CO 0.00 -0.10 0.27 -2.00 -1.32 0.00 0.00 175.29 172.13 3mtr s GLU 488 N -3.91 0.72 0.03 9.60 2.56 -0.72 -4.82 118.70 122.16 3mtr s GLU 488 Ca 0.12 -0.45 0.03 0.00 0.00 0.00 0.00 54.97 54.67 3mtr s GLU 488 Cb 0.07 0.31 -0.02 0.00 2.00 0.00 0.00 34.13 36.49 3mtr s GLU 488 CO -0.06 -0.21 -0.10 -1.12 -0.56 0.00 0.00 175.26 173.21 3mtr s SER 489 N -1.84 1.18 -0.04 -1.70 0.01 -1.26 -0.85 113.70 109.21 3mtr s SER 489 Ca -0.08 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3mtr s SER 489 Cb -0.02 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.15 3mtr s SER 489 CO -0.01 -0.02 -0.14 -0.22 0.41 0.00 0.00 173.24 173.25 3mtr s LEU 490 N -1.00 1.86 -0.14 2.44 2.96 0.47 -4.98 118.68 120.29 3mtr s LEU 490 Ca -0.01 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 3mtr s LEU 490 Cb -0.07 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 3mtr s LEU 490 CO 0.01 0.12 0.12 -1.83 -1.32 0.00 0.00 176.35 173.45 3mtr s GLU 491 N 0.12 3.62 0.16 1.98 -1.05 -1.26 -0.84 118.70 121.42 3mtr s GLU 491 Ca -0.04 -0.18 0.10 0.00 -0.15 0.00 0.00 54.97 54.69 3mtr s GLU 491 Cb -0.11 -3.22 -0.04 0.00 -0.44 0.00 0.00 34.13 30.32 3mtr s GLU 491 CO 0.02 0.63 -0.22 -0.06 0.95 0.00 0.00 175.26 176.58 3mtr s PHE 492 N -0.61 2.07 -0.18 4.83 0.08 0.57 -4.89 117.98 119.85 3mtr s PHE 492 Ca 0.13 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 3mtr s PHE 492 Cb -0.12 -1.06 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 3mtr s PHE 492 CO 0.02 0.38 -0.08 0.42 -0.10 0.00 0.00 175.22 175.87 3mtr s ILE 493 N -1.63 3.30 -0.26 0.64 -1.09 -0.54 -1.45 121.20 120.17 3mtr s ILE 493 Ca 0.16 -0.54 -0.21 0.00 -2.23 0.00 0.00 60.65 57.83 3mtr s ILE 493 Cb -0.08 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 3mtr s ILE 493 CO 0.07 0.47 0.66 -0.22 -1.23 0.00 0.00 174.94 174.70 3mtr s LEU 494 N 0.93 4.07 -0.08 2.97 2.96 0.53 -1.17 118.68 128.89 3mtr s LEU 494 Ca -0.01 0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3mtr s LEU 494 Cb -0.15 -2.90 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 3mtr s LEU 494 CO 0.00 -0.41 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.88 3mtr s VAL 495 N 2.58 3.83 -0.29 1.68 1.01 0.60 -1.50 120.40 128.32 3mtr s VAL 495 Ca 0.27 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3mtr s VAL 495 Cb -0.15 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3mtr s VAL 495 CO 0.09 0.58 1.06 -1.58 0.00 0.00 0.00 175.10 175.26 3mtr s GLN 496 N -0.64 4.12 0.70 2.72 0.74 -1.26 -1.82 119.66 124.22 3mtr s GLN 496 Ca 0.10 1.15 -0.16 0.00 0.05 0.00 0.00 55.36 56.49 3mtr s GLN 496 Cb -0.12 -3.71 0.02 0.00 1.10 0.00 0.00 33.01 30.31 3mtr s GLN 496 CO 0.02 -0.82 1.27 0.00 -0.55 0.00 0.00 175.29 175.21 3mtr s ALA 497 N 3.52 2.20 0.30 1.58 0.00 0.02 -4.91 121.76 124.46 3mtr s ALA 497 Ca 0.45 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3mtr s ALA 497 Cb -0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3mtr s ALA 497 CO 0.13 -1.84 0.39 -0.51 0.00 0.00 0.00 175.76 173.92 3mtr s ASP 498 N -1.62 5.90 0.85 0.00 1.01 -0.32 -4.89 116.67 117.61 3mtr s ASP 498 Ca 0.80 -0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.77 3mtr s ASP 498 Cb -0.35 -1.37 0.10 0.00 1.01 0.00 0.00 42.92 42.32 3mtr s ASP 498 CO 0.43 -0.29 1.09 0.42 0.21 0.00 0.00 175.17 177.04 3mtr s THR 499 N -2.14 2.82 0.71 -1.27 -4.23 -1.26 -4.26 115.64 106.01 3mtr s THR 499 Ca 0.40 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 61.06 3mtr s THR 499 Cb -0.09 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.92 3mtr s THR 499 CO 0.29 -0.35 1.08 -2.84 -0.54 0.00 0.00 174.62 172.26 3mtr s PRO 500 N -5.02 2.66 1.11 3.99 0.02 -1.23 -4.41 135.00 132.12 3mtr s PRO 500 Ca 0.62 1.14 -0.19 0.00 0.02 0.00 0.00 61.00 62.60 3mtr s PRO 500 Cb -0.16 -1.95 0.26 0.00 0.02 0.00 0.00 34.50 32.67 3mtr s PRO 500 CO 0.56 -1.33 1.25 -1.54 -0.33 0.00 0.00 177.00 175.60 3mtr s SER 501 N -3.32 1.80 0.26 2.53 1.04 -0.59 -2.79 113.70 112.63 3mtr s SER 501 Ca 0.61 0.32 -0.29 0.00 0.48 0.00 0.00 55.95 57.07 3mtr s SER 501 Cb -0.17 -0.35 -0.09 0.00 0.10 0.00 0.00 66.02 65.51 3mtr s SER 501 CO 0.51 -3.55 0.99 -0.94 0.98 0.00 0.00 173.24 171.23 3mtr s SER 502 N -4.52 7.49 0.86 7.02 1.04 -1.26 -4.57 113.70 119.75 3mtr s SER 502 Ca 0.75 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 59.11 3mtr s SER 502 Cb -0.05 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.57 3mtr s SER 502 CO 0.55 0.04 1.10 -2.84 0.98 0.00 0.00 173.24 173.06 3mtr s PRO 503 N -1.36 1.56 -0.12 4.02 0.02 -1.26 -4.27 135.00 133.58 3mtr s PRO 503 Ca 0.43 1.06 0.01 0.00 0.02 0.00 0.00 61.00 62.52 3mtr s PRO 503 Cb -0.27 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 3mtr s PRO 503 CO 0.34 -2.10 -0.15 0.45 -0.33 0.00 0.00 177.00 175.21 3mtr s SER 504 N -3.27 3.83 -0.20 2.53 0.15 -0.77 -4.53 113.70 111.44 3mtr s SER 504 Ca 0.63 -0.37 -0.27 0.00 0.70 0.00 0.00 55.95 56.64 3mtr s SER 504 Cb -0.19 -1.57 -0.00 0.00 -1.71 0.00 0.00 66.02 62.55 3mtr s SER 504 CO 0.57 0.16 0.93 -0.63 1.20 0.00 0.00 173.24 175.47 3mtr s ILE 505 N 0.35 4.79 -0.11 6.45 1.01 -1.26 -0.77 121.20 131.66 3mtr s ILE 505 Ca -0.12 1.82 -0.03 0.00 0.00 0.00 0.00 60.65 62.31 3mtr s ILE 505 Cb -0.16 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 3mtr s ILE 505 CO 0.06 -0.07 -0.02 0.44 0.00 0.00 0.00 174.94 175.35 3mtr h ASP 506 N 7.42 0.00 -4.66 3.58 3.32 -0.99 -3.48 116.42 121.61 3mtr h ASP 506 Ca -0.25 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 3mtr h ASP 506 Cb 1.10 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 3mtr h ASP 506 CO 0.90 0.57 -0.16 -1.10 -1.72 0.00 0.00 179.24 177.73 3mtr s GLN 507 N -1.72 0.70 -0.16 3.56 -0.21 -1.08 -5.03 119.66 115.73 3mtr s GLN 507 Ca -0.04 0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.50 3mtr s GLN 507 Cb 0.00 0.32 0.01 0.00 1.00 0.00 0.00 33.01 34.35 3mtr s GLN 507 CO 0.07 -0.18 -0.19 0.08 -2.12 0.00 0.00 175.29 172.95 3mtr s VAL 508 N -0.83 2.32 -0.34 1.09 1.01 -1.26 -0.77 120.40 121.62 3mtr s VAL 508 Ca -0.09 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 3mtr s VAL 508 Cb -0.04 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3mtr s VAL 508 CO 0.04 0.53 0.11 -1.61 0.00 0.00 0.00 175.10 174.17 3mtr s GLU 509 N 0.93 2.70 0.22 2.72 0.41 -0.06 -4.96 118.70 120.66 3mtr s GLU 509 Ca -0.04 -1.13 -0.27 0.00 -0.41 0.00 0.00 54.97 53.13 3mtr s GLU 509 Cb -0.15 -3.47 -0.09 0.00 -1.78 0.00 0.00 34.13 28.65 3mtr s GLU 509 CO -0.03 -0.64 0.86 -1.25 -0.49 0.00 0.00 175.26 173.71 3mtr s PRO 510 N 1.43 4.66 -0.41 0.39 0.04 -1.26 -0.51 135.00 139.34 3mtr s PRO 510 Ca -0.01 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.36 3mtr s PRO 510 Cb -0.19 -3.16 0.16 0.00 0.04 0.00 0.00 34.50 31.35 3mtr s PRO 510 CO 0.03 0.49 0.37 -0.47 0.04 0.00 0.00 177.00 177.46 3mtr s TYR 511 N -1.27 0.45 0.00 0.56 6.04 0.21 -4.81 117.35 118.54 3mtr s TYR 511 Ca 0.41 -1.73 0.00 0.00 0.04 0.00 0.00 57.07 55.78 3mtr s TYR 511 Cb -0.23 -0.67 0.00 0.00 -1.04 0.00 0.00 41.96 40.02 3mtr s TYR 511 CO 0.28 -0.91 0.00 0.43 -1.54 0.00 0.00 175.55 173.81 3mtr n SER 512 N 3.30 0.00 0.00 4.32 7.64 -1.26 -1.96 113.62 125.66 3mtr n SER 512 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3mtr n SER 512 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 3mtr n SER 512 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3mtr n SER 513 N 0.87 0.00 -4.09 6.43 2.88 -1.26 -4.99 113.62 113.46 3mtr n SER 513 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3mtr n SER 513 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3mtr n SER 513 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3mtr s THR 514 N -2.86 0.09 -0.11 2.46 -4.23 -0.83 -0.98 115.64 109.18 3mtr s THR 514 Ca 0.00 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 3mtr s THR 514 Cb 0.00 -1.99 0.04 0.00 1.34 0.00 0.00 72.50 71.88 3mtr s THR 514 CO 0.00 -0.39 0.28 0.00 -0.54 0.00 0.00 174.62 173.97 3mtr s ALA 515 N -4.03 -0.69 -0.34 3.99 0.00 -0.37 0.68 121.76 121.01 3mtr s ALA 515 Ca 0.22 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 3mtr s ALA 515 Cb 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 3mtr s ALA 515 CO 0.02 -0.17 0.59 -1.14 0.00 0.00 0.00 175.76 175.06 3mtr s GLN 516 N 0.67 3.70 -0.42 0.00 0.74 0.34 -0.77 119.66 123.92 3mtr s GLN 516 Ca -0.04 0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 3mtr s GLN 516 Cb -0.06 -3.79 0.02 0.00 1.10 0.00 0.00 33.01 30.28 3mtr s GLN 516 CO -0.04 -0.68 0.37 0.08 -0.55 0.00 0.00 175.29 174.47 3mtr s VAL 517 N 2.58 5.17 -0.14 1.34 1.01 0.01 -0.89 120.40 129.49 3mtr s VAL 517 Ca 0.23 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3mtr s VAL 517 Cb -0.15 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3mtr s VAL 517 CO 0.14 -0.37 0.64 -1.10 0.00 0.00 0.00 175.10 174.41 3mtr s GLN 518 N 1.91 4.32 0.10 2.72 -0.21 0.05 -1.38 119.66 127.16 3mtr s GLN 518 Ca 0.09 0.71 0.01 0.00 0.02 0.00 0.00 55.36 56.18 3mtr s GLN 518 Cb -0.18 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.28 3mtr s GLN 518 CO 0.12 -0.07 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.60 3mtr s PHE 519 N 1.32 0.81 -0.10 0.91 -0.12 -0.07 -0.29 117.98 120.44 3mtr s PHE 519 Ca 0.32 -1.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 3mtr s PHE 519 Cb -0.16 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 3mtr s PHE 519 CO 0.13 -0.27 0.06 -0.51 -0.05 0.00 0.00 175.22 174.58 3mtr s ASP 520 N -3.02 5.73 0.79 1.98 1.01 0.05 -4.70 116.67 118.51 3mtr s ASP 520 Ca 0.13 0.28 -0.13 0.00 0.71 0.00 0.00 52.55 53.54 3mtr s ASP 520 Cb 0.06 -1.74 0.07 0.00 1.01 0.00 0.00 42.92 42.32 3mtr s ASP 520 CO -0.05 0.38 1.17 -1.61 0.21 0.00 0.00 175.17 175.28 3mtr s GLU 521 N -0.89 1.83 0.37 8.23 2.02 -1.26 -1.86 118.70 127.14 3mtr s GLU 521 Ca 0.13 1.61 -0.26 0.00 0.02 0.00 0.00 54.97 56.48 3mtr s GLU 521 Cb -0.12 -1.81 -0.12 0.00 0.10 0.00 0.00 34.13 32.18 3mtr s GLU 521 CO 0.03 -2.04 0.95 -2.30 0.02 0.00 0.00 175.26 171.92 3mtr n PRO 522 N -3.27 1.25 0.22 0.39 -0.02 -1.26 -4.62 135.00 127.69 3mtr n PRO 522 Ca 0.12 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.11 3mtr n PRO 522 Cb 0.51 -1.89 0.50 0.00 -0.02 0.00 0.00 33.50 32.60 3mtr n PRO 522 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3mtr h GLU 523 N 1.62 0.00 -4.31 -0.52 4.81 -1.86 -3.42 114.58 110.90 3mtr h GLU 523 Ca -0.42 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.32 3mtr h GLU 523 Cb 1.35 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.38 3mtr h GLU 523 CO 0.58 0.24 -0.80 0.00 -0.73 0.00 0.00 179.01 178.30 3mtr s ALA 524 N -4.31 1.13 -0.25 2.92 0.00 -1.26 -4.99 121.76 115.00 3mtr s ALA 524 Ca -0.03 -0.36 0.27 0.00 0.00 0.00 0.00 51.96 51.84 3mtr s ALA 524 Cb 0.14 -0.64 0.69 0.00 0.00 0.00 0.00 23.12 23.31 3mtr s ALA 524 CO 0.68 -0.08 1.74 1.79 0.00 0.00 0.00 175.76 179.88 3mtr h THR 525 N 6.08 0.01 0.00 0.00 1.35 -1.87 -1.57 112.91 116.90 3mtr h THR 525 Ca -0.32 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3mtr h THR 525 Cb 1.16 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3mtr h THR 525 CO 0.45 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3mtr n GLY 526 N 0.74 0.85 0.00 5.82 0.00 -1.26 -3.52 105.19 107.81 3mtr n GLY 526 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mtr n GLY 526 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtr n GLY 527 N -2.00 1.25 3.09 -0.02 0.00 -1.26 -1.17 105.19 105.07 3mtr n GLY 527 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3mtr n GLY 527 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mtr s VAL 528 N -2.02 0.72 0.49 1.61 -7.23 -1.26 -4.72 120.40 107.98 3mtr s VAL 528 Ca 0.00 -1.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 3mtr s VAL 528 Cb 0.00 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 36.14 3mtr s VAL 528 CO 0.00 -0.26 1.34 -2.65 -0.31 0.00 0.00 175.10 173.22 3mtr n PRO 529 N 1.60 1.87 -2.19 4.82 -0.02 -1.26 -4.82 135.00 135.00 3mtr n PRO 529 Ca -0.21 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3mtr n PRO 529 Cb 0.55 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3mtr n PRO 529 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mtr s ILE 530 N -1.25 3.25 -0.17 4.25 -1.09 -1.26 -4.21 121.20 120.72 3mtr s ILE 530 Ca 0.66 0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 60.03 3mtr s ILE 530 Cb -0.45 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.72 3mtr s ILE 530 CO 0.54 0.10 -0.16 0.18 -1.23 0.00 0.00 174.94 174.37 3mtr n LEU 531 N 3.37 2.73 -4.08 2.97 4.77 0.68 -4.80 117.00 122.65 3mtr n LEU 531 Ca 0.09 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3mtr n LEU 531 Cb 0.42 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3mtr n LEU 531 CO 0.58 0.73 -0.03 -0.54 -1.33 0.00 0.00 177.39 176.79 3mtr s LYS 532 N -2.34 1.33 0.09 3.23 1.02 -1.12 -1.93 119.74 120.02 3mtr s LYS 532 Ca -0.23 -1.40 0.10 0.00 0.02 0.00 0.00 55.97 54.46 3mtr s LYS 532 Cb 0.06 0.37 -0.03 0.00 -0.52 0.00 0.00 37.83 37.71 3mtr s LYS 532 CO 0.38 -0.50 -0.26 0.71 -0.92 0.00 0.00 175.35 174.76 3mtr s TYR 533 N -4.07 2.28 -0.13 3.18 2.02 -0.07 -0.42 117.35 120.14 3mtr s TYR 533 Ca 0.29 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3mtr s TYR 533 Cb 0.03 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 3mtr s TYR 533 CO 0.09 0.24 -0.17 0.21 -1.57 0.00 0.00 175.55 174.35 3mtr s LYS 534 N -1.71 3.23 0.03 -0.62 2.20 0.13 -0.40 119.74 122.59 3mtr s LYS 534 Ca 0.13 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 3mtr s LYS 534 Cb -0.10 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 3mtr s LYS 534 CO 0.04 0.16 0.00 0.00 -0.36 0.00 0.00 175.35 175.19 3mtr s ALA 535 N 0.45 3.29 -0.01 3.13 0.00 -0.16 -0.95 121.76 127.51 3mtr s ALA 535 Ca -0.12 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.86 3mtr s ALA 535 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3mtr s ALA 535 CO 0.05 0.66 -0.09 -1.21 0.00 0.00 0.00 175.76 175.18 3mtr s GLU 536 N -1.78 0.73 0.11 0.00 2.02 -0.47 -1.74 118.70 117.55 3mtr s GLU 536 Ca 0.21 -0.31 -0.05 0.00 0.02 0.00 0.00 54.97 54.84 3mtr s GLU 536 Cb -0.12 -0.70 -0.02 0.00 0.10 0.00 0.00 34.13 33.39 3mtr s GLU 536 CO 0.13 0.18 0.12 1.67 0.02 0.00 0.00 175.26 177.38 3mtr s TRP 537 N -0.18 0.49 -0.20 1.61 -2.14 -0.04 -0.65 118.94 117.83 3mtr s TRP 537 Ca 0.03 -0.92 -0.28 0.00 2.66 0.00 0.00 56.10 57.59 3mtr s TRP 537 Cb -0.04 -0.25 0.11 0.00 -3.10 0.00 0.00 33.47 30.19 3mtr s TRP 537 CO -0.00 -0.54 0.94 -0.98 -2.66 0.00 0.00 176.95 173.70 3mtr s ARG 538 N -3.95 0.65 0.27 3.25 1.70 -0.62 -0.46 118.95 119.80 3mtr s ARG 538 Ca 0.13 0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 55.51 3mtr s ARG 538 Cb 0.06 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 3mtr s ARG 538 CO -0.05 -0.15 1.41 0.00 -1.08 0.00 0.00 175.30 175.43 3mtr s ALA 539 N -0.48 3.59 0.01 7.88 0.00 -1.26 -1.43 121.76 130.07 3mtr s ALA 539 Ca -0.01 1.32 -0.33 0.00 0.00 0.00 0.00 51.96 52.93 3mtr s ALA 539 Cb -0.03 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 3mtr s ALA 539 CO -0.00 -0.73 1.81 0.28 0.00 0.00 0.00 175.76 177.12 3mtr n VAL 540 N 1.88 0.42 -0.41 0.00 0.31 0.57 -0.96 118.33 120.14 3mtr n VAL 540 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3mtr n VAL 540 Cb 0.41 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 3mtr n VAL 540 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mtr n GLY 541 N 4.14 0.78 3.56 2.92 0.00 -1.26 -4.97 105.19 110.36 3mtr n GLY 541 Ca 0.20 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3mtr n GLY 541 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mtr s GLU 542 N -0.84 1.99 -0.20 1.61 4.04 -0.14 -5.08 118.70 120.07 3mtr s GLU 542 Ca 0.00 -1.63 0.06 0.00 0.04 0.00 0.00 54.97 53.44 3mtr s GLU 542 Cb 0.00 -1.95 -0.17 0.00 0.02 0.00 0.00 34.13 32.04 3mtr s GLU 542 CO 0.00 0.31 -0.11 0.39 -1.84 0.00 0.00 175.26 174.01 3mtr n GLU 543 N -0.78 0.76 -2.23 -4.83 -0.58 -1.26 -4.88 120.64 106.83 3mtr n GLU 543 Ca -0.05 0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 3mtr n GLU 543 Cb 0.60 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 3mtr n GLU 543 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mtr s VAL 544 N -2.43 3.59 -0.05 2.62 1.01 -1.26 -5.02 120.40 118.85 3mtr s VAL 544 Ca -0.23 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 3mtr s VAL 544 Cb 0.07 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3mtr s VAL 544 CO 0.57 0.05 0.55 0.26 0.00 0.00 0.00 175.10 176.53 3mtr s TRP 545 N 1.61 3.61 0.29 5.22 0.52 -1.26 -4.70 118.94 124.23 3mtr s TRP 545 Ca 0.63 1.07 -0.08 0.00 0.02 0.00 0.00 56.10 57.74 3mtr s TRP 545 Cb -0.33 -2.58 -0.06 0.00 -1.15 0.00 0.00 33.47 29.34 3mtr s TRP 545 CO 0.29 0.28 0.61 -1.01 0.02 0.00 0.00 176.95 177.13 3mtr s HIS 546 N 0.16 3.45 0.07 -1.98 3.76 0.39 -4.89 115.29 116.24 3mtr s HIS 546 Ca 0.29 0.85 -0.05 0.00 -0.15 0.00 0.00 55.06 56.01 3mtr s HIS 546 Cb -0.17 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 3mtr s HIS 546 CO 0.14 0.15 0.07 -1.54 -0.85 0.00 0.00 174.74 172.71 3mtr s SER 547 N -2.80 0.31 -0.13 1.40 1.04 -1.26 -0.87 113.70 111.39 3mtr s SER 547 Ca 0.47 -0.82 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 3mtr s SER 547 Cb -0.11 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.32 3mtr s SER 547 CO 0.26 -0.65 0.45 -0.75 0.98 0.00 0.00 173.24 173.54 3mtr s LYS 548 N -3.79 0.61 0.03 4.02 2.20 -0.71 -5.00 119.74 117.10 3mtr s LYS 548 Ca 0.05 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 3mtr s LYS 548 Cb 0.06 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3mtr s LYS 548 CO -0.10 -0.11 0.09 -1.58 -0.36 0.00 0.00 175.35 173.28 3mtr s TRP 549 N -0.21 3.26 0.01 4.03 0.52 -1.26 -0.99 118.94 124.30 3mtr s TRP 549 Ca -0.04 0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.26 3mtr s TRP 549 Cb -0.03 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3mtr s TRP 549 CO 0.02 0.54 -0.08 0.71 0.02 0.00 0.00 176.95 178.16 3mtr s TYR 550 N -1.29 0.74 0.38 -1.98 2.02 0.46 -4.98 117.35 112.72 3mtr s TYR 550 Ca 0.26 -0.24 -0.27 0.00 -0.37 0.00 0.00 57.07 56.45 3mtr s TYR 550 Cb -0.12 -0.46 -0.09 0.00 -0.40 0.00 0.00 41.96 40.88 3mtr s TYR 550 CO 0.18 -0.02 1.34 0.34 -1.57 0.00 0.00 175.55 175.82 3mtr s ASP 551 N -0.63 6.41 0.22 2.29 2.15 -1.26 -0.89 116.67 124.96 3mtr s ASP 551 Ca -0.00 2.74 0.04 0.00 0.43 0.00 0.00 52.55 55.76 3mtr s ASP 551 Cb -0.05 -2.65 0.19 0.00 -0.30 0.00 0.00 42.92 40.12 3mtr s ASP 551 CO 0.00 -0.79 1.52 0.00 -0.17 0.00 0.00 175.17 175.73 3mtr h ALA 552 N 2.89 0.78 0.33 3.66 0.00 -1.70 -2.56 119.26 122.66 3mtr h ALA 552 Ca -0.50 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 53.81 3mtr h ALA 552 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mtr h ALA 552 CO 0.63 0.77 -0.16 -0.22 0.00 0.00 0.00 179.25 180.28 3mtr h LYS 553 N 0.15 -0.42 -0.71 0.00 3.64 -1.89 0.92 116.57 118.27 3mtr h LYS 553 Ca -0.01 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3mtr h LYS 553 Cb 1.20 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 3mtr h LYS 553 CO 0.10 -0.14 0.40 1.49 -2.27 0.00 0.00 179.45 179.04 3mtr h GLU 554 N -0.70 0.72 -0.04 1.90 4.81 -1.96 -1.71 114.58 117.60 3mtr h GLU 554 Ca -0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3mtr h GLU 554 Cb 0.48 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3mtr h GLU 554 CO 0.07 0.47 0.01 0.00 -0.73 0.00 0.00 179.01 178.84 3mtr h ALA 555 N 1.36 0.05 0.00 2.92 0.00 -1.42 -3.23 119.26 118.94 3mtr h ALA 555 Ca 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3mtr h ALA 555 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3mtr h ALA 555 CO -0.18 -0.33 -0.53 0.66 0.00 0.00 0.00 179.25 178.87 3mtr h SER 556 N -0.16 0.00 0.69 0.00 4.64 -0.61 0.15 113.55 118.25 3mtr h SER 556 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3mtr h SER 556 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3mtr h SER 556 CO 0.00 0.53 0.00 0.24 -0.87 0.00 0.00 176.83 176.73 3mtr h MET 557 N 0.00 0.00 0.00 4.77 2.07 -1.33 -3.01 114.93 117.43 3mtr h MET 557 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 3mtr h MET 557 Cb 1.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.78 3mtr h MET 557 CO 0.07 0.00 -0.22 0.39 1.07 0.00 0.00 176.91 178.22 3mtr n GLU 558 N -2.75 4.68 -3.12 1.72 -0.58 -1.12 -5.03 120.64 114.45 3mtr n GLU 558 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.58 3mtr n GLU 558 Cb 0.22 -0.56 0.05 0.00 -0.57 0.00 0.00 31.44 30.58 3mtr n GLU 558 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mtr n GLY 559 N 1.19 -0.12 3.04 0.62 0.00 0.49 -4.96 105.19 105.45 3mtr n GLY 559 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3mtr n GLY 559 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtr s ILE 560 N -3.15 0.01 0.07 -0.61 1.01 -1.02 -0.89 121.20 116.61 3mtr s ILE 560 Ca 0.35 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 61.01 3mtr s ILE 560 Cb -0.15 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3mtr s ILE 560 CO 0.43 -0.04 -0.23 0.68 0.00 0.00 0.00 174.94 175.78 3mtr s VAL 561 N -0.07 1.90 -0.20 2.92 -7.23 -0.48 -4.53 120.40 112.71 3mtr s VAL 561 Ca -0.02 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.70 3mtr s VAL 561 Cb -0.02 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 3mtr s VAL 561 CO 0.00 0.18 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.07 3mtr s THR 562 N -0.91 3.82 0.02 5.32 2.01 -1.26 -0.81 115.64 123.83 3mtr s THR 562 Ca 0.10 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 3mtr s THR 562 Cb -0.10 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 3mtr s THR 562 CO 0.03 0.43 0.26 -0.63 -0.69 0.00 0.00 174.62 174.03 3mtr s ILE 563 N 1.02 5.31 0.29 1.82 -1.09 0.05 -4.95 121.20 123.65 3mtr s ILE 563 Ca 0.01 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 3mtr s ILE 563 Cb -0.14 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3mtr s ILE 563 CO 0.01 0.32 0.10 0.68 -1.23 0.00 0.00 174.94 174.82 3mtr s VAL 564 N -1.35 0.63 -0.74 2.92 -7.23 -1.26 -1.23 120.40 112.14 3mtr s VAL 564 Ca 0.29 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3mtr s VAL 564 Cb -0.13 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.18 3mtr s VAL 564 CO 0.18 0.00 0.02 0.61 -0.31 0.00 0.00 175.10 175.59 3mtr n GLY 565 N -0.55 0.02 3.87 2.32 0.00 -0.15 -4.91 105.19 105.78 3mtr n GLY 565 Ca -0.01 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3mtr n GLY 565 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mtr s LEU 566 N -2.55 4.06 0.19 0.99 1.43 -0.48 -5.04 118.68 117.29 3mtr s LEU 566 Ca 0.01 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 3mtr s LEU 566 Cb -0.00 -3.83 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 3mtr s LEU 566 CO 0.01 -0.19 0.54 -0.54 0.23 0.00 0.00 176.35 176.40 3mtr s LYS 567 N -3.16 3.86 0.88 1.70 1.02 -1.26 -4.00 119.74 118.78 3mtr s LYS 567 Ca 0.49 0.34 -0.12 0.00 0.02 0.00 0.00 55.97 56.71 3mtr s LYS 567 Cb -0.11 -2.77 0.12 0.00 -0.52 0.00 0.00 37.83 34.55 3mtr s LYS 567 CO 0.23 0.39 1.10 -1.25 -0.92 0.00 0.00 175.35 174.90 3mtr s PRO 568 N -2.45 1.39 -1.66 -1.68 0.04 -1.26 -3.89 135.00 125.48 3mtr s PRO 568 Ca 0.43 0.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 3mtr s PRO 568 Cb -0.13 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.75 3mtr s PRO 568 CO 0.20 -2.13 0.69 -0.85 0.04 0.00 0.00 177.00 174.96 3mtr n GLU 569 N -3.79 -2.53 -4.56 4.56 -0.00 0.15 -4.94 120.64 109.52 3mtr n GLU 569 Ca 0.07 0.31 -0.22 0.00 -0.00 0.00 0.00 57.16 57.32 3mtr n GLU 569 Cb 0.56 -4.99 -0.15 0.00 -0.00 0.00 0.00 31.44 26.85 3mtr n GLU 569 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3mtr s THR 570 N -3.19 1.01 -0.11 3.84 2.01 -1.25 -4.90 115.64 113.04 3mtr s THR 570 Ca 0.72 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 3mtr s THR 570 Cb -0.40 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3mtr s THR 570 CO 0.89 0.29 0.62 -0.89 -0.69 0.00 0.00 174.62 174.84 3mtr s THR 571 N -0.07 5.09 0.20 -0.82 2.01 -1.26 -1.40 115.64 119.39 3mtr s THR 571 Ca 0.01 1.24 0.11 0.00 0.31 0.00 0.00 61.69 63.35 3mtr s THR 571 Cb -0.07 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3mtr s THR 571 CO 0.00 0.25 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.65 3mtr s TYR 572 N 0.98 2.21 -0.02 4.92 2.02 -0.10 -0.31 117.35 127.05 3mtr s TYR 572 Ca 0.32 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 3mtr s TYR 572 Cb -0.16 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3mtr s TYR 572 CO 0.14 0.51 -0.17 0.00 -1.57 0.00 0.00 175.55 174.45 3mtr s ALA 573 N -1.90 2.56 0.03 3.71 0.00 -0.51 -1.21 121.76 124.43 3mtr s ALA 573 Ca 0.21 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3mtr s ALA 573 Cb -0.07 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3mtr s ALA 573 CO 0.10 0.56 -0.10 0.54 0.00 0.00 0.00 175.76 176.86 3mtr s VAL 574 N -0.77 0.79 0.10 0.00 0.11 -0.18 -1.59 120.40 118.86 3mtr s VAL 574 Ca 0.12 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 3mtr s VAL 574 Cb -0.10 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.97 3mtr s VAL 574 CO 0.02 -0.06 0.05 0.00 -3.33 0.00 0.00 175.10 171.79 3mtr s ARG 575 N -0.97 0.81 0.00 1.54 1.70 0.18 -0.60 118.95 121.61 3mtr s ARG 575 Ca -0.01 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 3mtr s ARG 575 Cb -0.07 0.25 -0.00 0.00 -0.57 0.00 0.00 34.95 34.56 3mtr s ARG 575 CO 0.01 -0.22 -0.02 -0.51 -1.08 0.00 0.00 175.30 173.48 3mtr s LEU 576 N -2.97 2.03 0.06 -1.89 1.43 -1.26 -1.37 118.68 114.71 3mtr s LEU 576 Ca 0.15 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3mtr s LEU 576 Cb 0.07 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 3mtr s LEU 576 CO -0.04 -0.02 -0.07 0.00 0.23 0.00 0.00 176.35 176.45 3mtr s ALA 577 N -0.21 0.67 -0.01 4.21 0.00 -0.12 -0.50 121.76 125.78 3mtr s ALA 577 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3mtr s ALA 577 Cb -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3mtr s ALA 577 CO -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 175.76 175.55 3mtr s ALA 578 N -2.33 2.95 -0.18 0.00 0.00 -1.26 -0.70 121.76 120.25 3mtr s ALA 578 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 3mtr s ALA 578 Cb -0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3mtr s ALA 578 CO -0.02 0.60 -0.03 -1.17 0.00 0.00 0.00 175.76 175.14 3mtr s LEU 579 N -1.24 3.18 0.00 0.00 2.96 0.43 -0.42 118.68 123.60 3mtr s LEU 579 Ca 0.15 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3mtr s LEU 579 Cb -0.11 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3mtr s LEU 579 CO 0.06 0.11 0.10 -0.46 -1.32 0.00 0.00 176.35 174.84 3mtr n ASN 580 N 3.91 2.12 0.20 3.68 0.23 -0.56 -0.23 115.26 124.62 3mtr n ASN 580 Ca -0.17 -1.89 0.16 0.00 -0.53 0.00 0.00 54.58 52.15 3mtr n ASN 580 Cb 0.52 0.06 0.81 0.00 -2.08 0.00 0.00 39.78 39.08 3mtr n ASN 580 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3mtr h GLY 581 N 0.39 0.00 1.40 4.83 0.00 -1.89 -1.92 103.07 105.89 3mtr h GLY 581 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.88 3mtr h GLY 581 CO 0.27 0.00 -1.24 1.70 0.00 0.00 0.00 176.54 177.27 3mtr h LYS 582 N 0.00 0.48 0.00 4.80 3.64 -1.95 -3.50 116.57 120.04 3mtr h LYS 582 Ca 0.08 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 3mtr h LYS 582 Cb 0.43 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3mtr h LYS 582 CO -0.00 1.30 0.00 0.41 -2.27 0.00 0.00 179.45 178.89 3mtr n GLY 583 N 1.40 -1.03 3.74 5.01 0.00 -0.72 -5.00 105.19 108.58 3mtr n GLY 583 Ca -0.12 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3mtr n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mtr s LEU 584 N 0.00 4.57 0.00 0.99 2.96 -1.26 -1.49 118.68 124.45 3mtr s LEU 584 Ca 0.00 1.86 -0.04 0.00 -0.22 0.00 0.00 54.13 55.74 3mtr s LEU 584 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 3mtr s LEU 584 CO 0.00 0.05 0.43 0.61 -1.32 0.00 0.00 176.35 176.12 3mtr n GLY 585 N 1.87 -0.46 3.75 7.98 0.00 0.43 -4.83 105.19 113.94 3mtr n GLY 585 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3mtr n GLY 585 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mtr n GLU 586 N -1.88 2.69 -3.34 1.61 2.13 -1.12 -4.69 120.64 116.05 3mtr n GLU 586 Ca 0.06 0.96 -0.38 0.00 0.66 0.00 0.00 57.16 58.45 3mtr n GLU 586 Cb 0.21 -2.73 -0.06 0.00 0.27 0.00 0.00 31.44 29.13 3mtr n GLU 586 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3mtr s ILE 587 N -0.20 4.84 0.94 6.31 1.01 -1.26 -4.05 121.20 128.79 3mtr s ILE 587 Ca 0.62 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 62.26 3mtr s ILE 587 Cb -0.49 -3.84 0.16 0.00 0.01 0.00 0.00 42.46 38.29 3mtr s ILE 587 CO 0.51 0.55 1.12 -0.94 0.00 0.00 0.00 174.94 176.19 3mtr s SER 588 N -1.04 2.80 0.64 3.58 1.04 0.34 -4.94 113.70 116.11 3mtr s SER 588 Ca 0.27 2.04 -0.18 0.00 0.48 0.00 0.00 55.95 58.56 3mtr s SER 588 Cb -0.18 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 3mtr s SER 588 CO 0.17 -3.15 1.29 0.00 0.98 0.00 0.00 173.24 172.53 3mtr s ALA 589 N -2.66 2.42 0.27 5.32 0.00 -1.26 -4.52 121.76 121.33 3mtr s ALA 589 Ca 0.66 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 3mtr s ALA 589 Cb -0.22 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.26 3mtr s ALA 589 CO 0.59 -1.55 1.01 0.00 0.00 0.00 0.00 175.76 175.81 3mtr s ALA 590 N -1.40 3.33 -0.10 0.00 0.00 -1.26 -4.64 121.76 117.69 3mtr s ALA 590 Ca 0.82 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 3mtr s ALA 590 Cb -0.37 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3mtr s ALA 590 CO 0.40 0.03 -0.02 -1.12 0.00 0.00 0.00 175.76 175.05 3mtr s SER 591 N -1.13 5.02 0.08 0.00 0.01 0.23 -4.84 113.70 113.06 3mtr s SER 591 Ca 0.44 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.68 3mtr s SER 591 Cb -0.27 -1.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 3mtr s SER 591 CO 0.34 0.32 0.36 -1.61 0.41 0.00 0.00 173.24 173.07 3mtr s GLU 592 N -0.56 3.67 0.18 12.44 2.02 -1.26 -1.01 118.70 134.17 3mtr s GLU 592 Ca 0.09 0.03 -0.13 0.00 0.02 0.00 0.00 54.97 54.98 3mtr s GLU 592 Cb -0.12 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.15 3mtr s GLU 592 CO 0.02 0.55 0.41 -0.59 0.02 0.00 0.00 175.26 175.67 3mtr s PHE 593 N -1.46 0.11 -0.05 1.61 -0.12 -0.35 -5.00 117.98 112.73 3mtr s PHE 593 Ca 0.34 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 3mtr s PHE 593 Cb -0.13 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.44 3mtr s PHE 593 CO 0.20 -0.82 -0.19 0.21 -0.05 0.00 0.00 175.22 174.57 3mtr s LYS 594 N -3.91 2.04 0.60 1.99 2.20 -1.26 -0.92 119.74 120.46 3mtr s LYS 594 Ca 0.12 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 54.92 3mtr s LYS 594 Cb 0.01 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.57 3mtr s LYS 594 CO -0.02 0.25 1.03 0.95 -0.36 0.00 0.00 175.35 177.20 3mtr s THR 595 N 0.08 4.25 0.88 3.43 -4.23 -0.50 -4.77 115.64 114.77 3mtr s THR 595 Ca -0.06 0.93 -0.12 0.00 -1.18 0.00 0.00 61.69 61.26 3mtr s THR 595 Cb -0.13 -3.58 0.12 0.00 1.34 0.00 0.00 72.50 70.25 3mtr s THR 595 CO 0.03 -0.76 1.12 -1.10 -0.54 0.00 0.00 174.62 173.38 3mtr s GLN 596 N -4.49 1.43 0.00 3.99 -0.21 -1.26 -2.89 119.66 116.23 3mtr s GLN 596 Ca 0.59 0.40 0.31 0.00 0.02 0.00 0.00 55.36 56.68 3mtr s GLN 596 Cb -0.13 -1.86 1.64 0.00 1.00 0.00 0.00 33.01 33.66 3mtr s GLN 596 CO 0.42 -2.02 2.08 -0.35 -2.12 0.00 0.00 175.29 173.30