#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw9 h ILE 402 N 0.00 0.79 -0.25 -1.33 2.04 -1.98 0.13 117.51 116.91 1bw9 h ILE 402 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1bw9 h ILE 402 Cb 0.00 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1bw9 h ILE 402 CO 0.00 0.07 0.16 -0.78 0.00 0.00 0.00 178.15 177.61 1bw9 h ASP 403 N 0.39 0.28 0.89 1.72 3.58 -1.96 0.41 116.42 121.73 1bw9 h ASP 403 Ca 0.29 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 1bw9 h ASP 403 Cb 0.34 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1bw9 h ASP 403 CO -0.29 0.21 -0.18 0.28 -2.88 0.00 0.00 179.24 176.38 1bw9 h SER 404 N 0.34 0.00 0.08 2.28 0.02 -1.75 0.13 113.55 114.65 1bw9 h SER 404 Ca 0.09 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.78 1bw9 h SER 404 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1bw9 h SER 404 CO -0.02 0.18 -1.34 0.00 -1.14 0.00 0.00 176.83 174.51 1bw9 h ALA 405 N 1.82 0.21 0.00 3.77 0.00 -0.18 -3.39 119.26 121.49 1bw9 h ALA 405 Ca -0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 54.91 53.48 1bw9 h ALA 405 Cb 0.67 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1bw9 h ALA 405 CO 0.02 0.79 -2.23 1.28 0.00 0.00 0.00 179.25 179.11 1bw9 n LEU 406 N -4.03 2.36 -2.28 0.00 4.77 0.14 -4.57 117.00 113.39 1bw9 n LEU 406 Ca -0.26 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 1bw9 n LEU 406 Cb 0.84 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1bw9 n LEU 406 CO 0.36 0.78 1.41 0.59 -1.33 0.00 0.00 177.39 179.19 1bw9 n ASN 407 N -3.03 6.82 -4.74 -1.43 3.02 0.45 -4.96 115.26 111.38 1bw9 n ASN 407 Ca -0.36 -3.70 -0.41 0.00 -0.03 0.00 0.00 54.58 50.08 1bw9 n ASN 407 Cb 0.94 -0.95 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 1bw9 n ASN 407 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1bw9 s TRP 408 N -3.59 3.75 -1.73 3.10 -0.00 -1.16 -4.81 118.94 114.51 1bw9 s TRP 408 Ca 0.61 1.75 0.12 0.00 -0.00 0.00 0.00 56.10 58.58 1bw9 s TRP 408 Cb 0.49 -3.15 0.38 0.00 -0.00 0.00 0.00 33.47 31.19 1bw9 s TRP 408 CO 0.01 -0.12 1.28 -0.40 -0.00 0.00 0.00 176.95 177.72 1bw9 n ASP 409 N 1.95 2.48 -4.48 5.86 5.68 -1.26 -4.98 116.55 121.81 1bw9 n ASP 409 Ca 0.00 -2.10 -0.29 0.00 -0.50 0.00 0.00 54.79 51.90 1bw9 n ASP 409 Cb 0.47 -0.34 0.17 0.00 -1.14 0.00 0.00 41.12 40.28 1bw9 n ASP 409 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1bw9 s GLY 410 N -0.89 1.60 0.26 6.12 0.00 -1.26 -4.98 107.32 108.18 1bw9 s GLY 410 Ca 0.28 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1bw9 s GLY 410 CO 0.17 -0.03 1.69 0.83 0.00 0.00 0.00 173.10 175.76 1bw9 h GLU 411 N -1.79 0.56 -1.85 2.90 5.08 -0.81 -3.47 114.58 115.20 1bw9 h GLU 411 Ca -0.49 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.64 1bw9 h GLU 411 Cb 1.31 -0.03 -0.22 0.00 0.50 0.00 0.00 28.75 30.32 1bw9 h GLU 411 CO 0.53 0.77 0.28 1.41 -1.00 0.00 0.00 179.01 180.99 1bw9 s MET 412 N -4.50 0.81 -0.07 2.33 0.00 -0.79 -4.99 119.30 112.09 1bw9 s MET 412 Ca -0.07 0.54 0.04 0.00 0.00 0.00 0.00 55.69 56.19 1bw9 s MET 412 Cb 0.13 0.39 0.00 0.00 0.00 0.00 0.00 34.83 35.35 1bw9 s MET 412 CO 0.80 -0.18 -0.18 0.99 0.00 0.00 0.00 175.02 176.45 1bw9 s THR 413 N -0.42 1.59 -0.11 10.11 2.01 -1.26 -0.32 115.64 127.24 1bw9 s THR 413 Ca -0.03 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1bw9 s THR 413 Cb -0.03 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.10 1bw9 s THR 413 CO 0.03 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.50 1bw9 s VAL 414 N 0.33 2.26 0.09 3.82 1.01 0.77 -4.99 120.40 123.69 1bw9 s VAL 414 Ca -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1bw9 s VAL 414 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1bw9 s VAL 414 CO 0.05 0.55 -0.09 0.42 0.00 0.00 0.00 175.10 176.03 1bw9 s THR 415 N 0.38 0.82 -0.12 3.92 -4.23 -1.26 -0.48 115.64 114.67 1bw9 s THR 415 Ca -0.17 -1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 58.42 1bw9 s THR 415 Cb -0.17 -1.33 0.08 0.00 1.34 0.00 0.00 72.50 72.41 1bw9 s THR 415 CO 0.08 -0.61 0.74 -0.60 -0.54 0.00 0.00 174.62 173.69 1bw9 s ARG 416 N -2.87 0.93 -0.05 3.99 3.52 -0.70 -4.99 118.95 118.78 1bw9 s ARG 416 Ca 0.05 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 1bw9 s ARG 416 Cb -0.02 0.44 -0.00 0.00 -1.56 0.00 0.00 34.95 33.81 1bw9 s ARG 416 CO -0.01 -0.25 -0.19 0.12 -0.81 0.00 0.00 175.30 174.16 1bw9 s PHE 417 N -0.78 1.88 -0.37 5.12 5.36 -1.26 -0.33 117.98 127.59 1bw9 s PHE 417 Ca -0.07 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 1bw9 s PHE 417 Cb -0.01 -1.26 0.10 0.00 -0.34 0.00 0.00 43.02 41.51 1bw9 s PHE 417 CO 0.06 -0.19 0.12 0.34 -1.46 0.00 0.00 175.22 174.09 1bw9 s ASP 418 N 0.02 5.00 0.28 6.13 2.15 -0.25 -4.99 116.67 125.01 1bw9 s ASP 418 Ca -0.05 -2.05 0.01 0.00 0.43 0.00 0.00 52.55 50.90 1bw9 s ASP 418 Cb -0.12 -1.73 0.57 0.00 -0.30 0.00 0.00 42.92 41.34 1bw9 s ASP 418 CO 0.03 -0.45 1.80 0.50 -0.17 0.00 0.00 175.17 176.87 1bw9 h LYS 419 N 7.84 0.78 -0.49 4.34 3.64 -1.94 0.34 116.57 131.08 1bw9 h LYS 419 Ca -0.09 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1bw9 h LYS 419 Cb 1.04 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 1bw9 h LYS 419 CO 0.60 0.52 0.14 1.98 -2.27 0.00 0.00 179.45 180.42 1bw9 h MET 420 N 0.81 0.28 0.00 1.90 4.05 -1.96 -2.90 114.93 117.10 1bw9 h MET 420 Ca 0.49 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 1bw9 h MET 420 Cb 0.61 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1bw9 h MET 420 CO -0.32 0.19 -1.39 0.25 0.23 0.00 0.00 176.91 175.87 1bw9 n THR 421 N -5.06 0.28 -1.00 -0.77 -2.24 -0.97 -4.95 114.28 99.58 1bw9 n THR 421 Ca 0.05 -0.46 -0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1bw9 n THR 421 Cb 0.22 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1bw9 n THR 421 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw9 n GLY 422 N 1.25 0.47 3.81 3.38 0.00 0.12 -4.70 105.19 109.52 1bw9 n GLY 422 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1bw9 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 s ALA 423 N -1.94 3.43 -0.01 4.61 0.00 -1.18 -4.38 121.76 122.30 1bw9 s ALA 423 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1bw9 s ALA 423 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1bw9 s ALA 423 CO 0.00 0.33 -0.04 -1.01 0.00 0.00 0.00 175.76 175.04 1bw9 s HIS 424 N -1.43 2.97 -0.06 0.00 3.76 -0.74 -1.09 115.29 118.70 1bw9 s HIS 424 Ca 0.41 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 1bw9 s HIS 424 Cb -0.18 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1bw9 s HIS 424 CO 0.22 0.41 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.28 1bw9 s PHE 425 N -1.01 1.82 -0.02 1.40 0.40 0.55 -0.73 117.98 120.38 1bw9 s PHE 425 Ca 0.17 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1bw9 s PHE 425 Cb -0.11 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1bw9 s PHE 425 CO 0.08 -0.26 -0.05 0.08 0.70 0.00 0.00 175.22 175.77 1bw9 s VAL 426 N 0.31 0.48 -0.09 -0.44 1.01 0.26 -1.72 120.40 120.21 1bw9 s VAL 426 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1bw9 s VAL 426 Cb -0.14 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.80 1bw9 s VAL 426 CO 0.04 0.17 -0.07 -0.63 0.00 0.00 0.00 175.10 174.61 1bw9 s ILE 427 N 0.39 0.93 -0.14 2.22 1.01 0.37 -0.01 121.20 125.96 1bw9 s ILE 427 Ca -0.05 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1bw9 s ILE 427 Cb -0.08 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1bw9 s ILE 427 CO -0.00 0.34 -0.18 -0.13 0.00 0.00 0.00 174.94 174.97 1bw9 s ARG 428 N 1.46 3.17 -0.45 2.79 0.52 0.28 -0.17 118.95 126.55 1bw9 s ARG 428 Ca -0.00 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 1bw9 s ARG 428 Cb -0.13 -2.55 0.08 0.00 0.52 0.00 0.00 34.95 32.87 1bw9 s ARG 428 CO -0.05 0.04 0.33 -0.51 0.02 0.00 0.00 175.30 175.14 1bw9 s LEU 429 N 0.73 5.41 -0.01 2.53 1.43 0.57 -1.09 118.68 128.25 1bw9 s LEU 429 Ca -0.08 -1.43 -0.24 0.00 -1.03 0.00 0.00 54.13 51.35 1bw9 s LEU 429 Cb -0.16 -2.09 -0.19 0.00 0.03 0.00 0.00 46.19 43.79 1bw9 s LEU 429 CO 0.01 -0.60 1.28 -0.78 0.23 0.00 0.00 176.35 176.49 1bw9 h ASP 430 N 8.59 0.10 -4.22 2.29 3.58 -0.73 -1.38 116.42 124.65 1bw9 h ASP 430 Ca -0.26 -0.49 -0.11 0.00 0.42 0.00 0.00 57.03 56.59 1bw9 h ASP 430 Cb 1.10 -0.03 -0.23 0.00 1.72 0.00 0.00 39.33 41.89 1bw9 h ASP 430 CO 0.82 0.58 -0.19 -0.55 -2.88 0.00 0.00 179.24 177.02 1bw9 s SER 431 N -5.82 -0.41 -0.11 2.28 0.15 -0.95 -2.24 113.70 106.60 1bw9 s SER 431 Ca -0.15 0.69 0.16 0.00 0.70 0.00 0.00 55.95 57.34 1bw9 s SER 431 Cb 0.03 0.74 0.24 0.00 -1.71 0.00 0.00 66.02 65.31 1bw9 s SER 431 CO 0.70 -0.25 1.12 0.35 1.20 0.00 0.00 173.24 176.35 1bw9 n THR 432 N 2.34 1.57 0.21 6.45 -2.24 -1.26 -0.64 114.28 120.71 1bw9 n THR 432 Ca -0.16 -1.89 -0.15 0.00 -2.27 0.00 0.00 64.05 59.59 1bw9 n THR 432 Cb 0.57 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1bw9 n THR 432 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1bw9 h GLN 433 N 0.00 -0.64 -0.00 -0.78 5.75 -1.94 -2.70 115.11 114.80 1bw9 h GLN 433 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1bw9 h GLN 433 Cb 1.05 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1bw9 h GLN 433 CO 0.00 -0.43 -0.01 1.28 -2.65 0.00 0.00 178.83 177.02 1bw9 n LEU 434 N -5.43 0.13 0.00 -2.39 4.77 -1.26 -5.00 117.00 107.81 1bw9 n LEU 434 Ca -0.09 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1bw9 n LEU 434 Cb 0.34 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1bw9 n LEU 434 CO 0.28 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1bw9 n GLY 435 N 1.11 0.06 3.67 -0.72 0.00 -1.02 -3.55 105.19 104.73 1bw9 n GLY 435 Ca 0.20 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 1bw9 n GLY 435 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bw9 n PRO 436 N -0.29 1.54 -2.18 1.61 -0.02 -1.26 -2.55 135.00 131.84 1bw9 n PRO 436 Ca 0.00 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1bw9 n PRO 436 Cb 0.00 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 1bw9 n PRO 436 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw9 s ALA 437 N -1.30 3.40 0.01 3.55 0.00 0.45 -0.10 121.76 127.77 1bw9 s ALA 437 Ca 0.66 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 1bw9 s ALA 437 Cb -0.49 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.18 1bw9 s ALA 437 CO 0.54 -0.59 0.04 0.00 0.00 0.00 0.00 175.76 175.75 1bw9 s ALA 438 N -1.20 -0.08 0.00 0.00 0.00 -0.78 -0.84 121.76 118.85 1bw9 s ALA 438 Ca 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1bw9 s ALA 438 Cb -0.37 0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1bw9 s ALA 438 CO 0.49 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1bw9 n GLY 439 N 1.80 2.11 3.72 0.00 0.00 -0.75 -2.06 105.19 110.01 1bw9 n GLY 439 Ca -0.22 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1bw9 n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw9 s GLY 440 N 0.00 1.67 -0.26 -0.02 0.00 -1.26 -3.41 107.32 104.04 1bw9 s GLY 440 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 1bw9 s GLY 440 CO 0.00 -0.25 0.08 -1.59 0.00 0.00 0.00 173.10 171.33 1bw9 s THR 441 N -3.38 4.24 -0.18 0.90 2.01 0.78 -1.27 115.64 118.74 1bw9 s THR 441 Ca 0.73 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 1bw9 s THR 441 Cb -0.06 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1bw9 s THR 441 CO 0.55 0.27 0.06 -0.60 -0.69 0.00 0.00 174.62 174.20 1bw9 s ARG 442 N 1.59 3.96 -0.15 4.92 3.52 -0.25 -2.64 118.95 129.90 1bw9 s ARG 442 Ca 0.06 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1bw9 s ARG 442 Cb -0.16 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1bw9 s ARG 442 CO 0.03 0.28 -0.16 0.00 -0.81 0.00 0.00 175.30 174.65 1bw9 s ALA 443 N 0.34 1.97 0.29 6.12 0.00 0.10 -0.49 121.76 130.10 1bw9 s ALA 443 Ca 0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 1bw9 s ALA 443 Cb -0.12 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 21.98 1bw9 s ALA 443 CO 0.00 -0.33 0.81 0.00 0.00 0.00 0.00 175.76 176.24 1bw9 s ALA 444 N 1.36 -1.13 -0.00 0.00 0.00 -0.49 -4.46 121.76 117.03 1bw9 s ALA 444 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1bw9 s ALA 444 Cb -0.13 0.75 -0.06 0.00 0.00 0.00 0.00 23.12 23.68 1bw9 s ALA 444 CO -0.10 -1.02 0.47 -1.14 0.00 0.00 0.00 175.76 173.96 1bw9 s GLN 445 N -3.08 4.08 0.06 0.00 0.74 -1.26 -0.24 119.66 119.96 1bw9 s GLN 445 Ca 0.14 0.51 0.06 0.00 0.05 0.00 0.00 55.36 56.12 1bw9 s GLN 445 Cb -0.05 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 1bw9 s GLN 445 CO 0.08 0.57 -0.17 0.71 -0.55 0.00 0.00 175.29 175.93 1bw9 s TYR 446 N -0.75 1.48 0.14 1.67 1.51 -1.26 -4.95 117.35 115.20 1bw9 s TYR 446 Ca 0.26 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.78 1bw9 s TYR 446 Cb -0.17 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1bw9 s TYR 446 CO 0.14 0.09 1.71 0.77 -1.11 0.00 0.00 175.55 177.15 1bw9 h SER 447 N 4.65 0.60 -4.89 2.29 0.02 -1.98 -3.45 113.55 110.79 1bw9 h SER 447 Ca -0.41 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.22 1bw9 h SER 447 Cb 1.18 -0.15 -0.21 0.00 0.14 0.00 0.00 62.40 63.35 1bw9 h SER 447 CO 0.42 0.57 -0.68 -1.10 -1.14 0.00 0.00 176.83 174.91 1bw9 s GLN 448 N -5.64 0.30 0.39 3.45 -0.21 -1.26 -5.04 119.66 111.65 1bw9 s GLN 448 Ca -0.13 -0.55 0.10 0.00 0.02 0.00 0.00 55.36 54.80 1bw9 s GLN 448 Cb 0.11 0.11 0.89 0.00 1.00 0.00 0.00 33.01 35.11 1bw9 s GLN 448 CO 0.76 -0.05 1.94 1.25 -2.12 0.00 0.00 175.29 177.07 1bw9 h LEU 449 N 4.73 0.53 -1.06 2.90 5.85 -2.01 0.09 115.31 126.35 1bw9 h LEU 449 Ca -0.31 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.61 1bw9 h LEU 449 Cb 1.21 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 1bw9 h LEU 449 CO 0.42 0.32 0.61 0.00 -0.34 0.00 0.00 178.44 179.45 1bw9 h ALA 450 N 1.64 1.73 -0.55 1.25 0.00 -1.96 0.13 119.26 121.51 1bw9 h ALA 450 Ca 0.34 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1bw9 h ALA 450 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1bw9 h ALA 450 CO -0.12 -0.10 -0.07 -0.44 0.00 0.00 0.00 179.25 178.53 1bw9 h ASP 451 N 0.73 0.98 -0.39 0.00 3.32 -1.34 0.61 116.42 120.33 1bw9 h ASP 451 Ca 0.57 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1bw9 h ASP 451 Cb 0.93 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1bw9 h ASP 451 CO -0.36 1.07 -0.08 0.00 -1.72 0.00 0.00 179.24 178.15 1bw9 h ALA 452 N 1.02 0.53 -0.37 3.45 0.00 -0.99 0.80 119.26 123.70 1bw9 h ALA 452 Ca 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1bw9 h ALA 452 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1bw9 h ALA 452 CO 0.04 0.39 0.16 -0.07 0.00 0.00 0.00 179.25 179.77 1bw9 h LEU 453 N 0.55 0.50 0.03 0.00 3.38 -0.70 -1.09 115.31 117.98 1bw9 h LEU 453 Ca 0.10 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1bw9 h LEU 453 Cb 0.60 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1bw9 h LEU 453 CO 0.04 0.51 -0.07 0.74 0.09 0.00 0.00 178.44 179.75 1bw9 h THR 454 N 0.45 0.83 -0.55 0.22 2.02 -0.65 -1.82 112.91 113.41 1bw9 h THR 454 Ca 0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1bw9 h THR 454 Cb 0.16 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1bw9 h THR 454 CO -0.01 0.00 0.34 -0.78 0.37 0.00 0.00 175.52 175.43 1bw9 h ASP 455 N -0.13 0.55 -0.93 4.18 3.58 -0.73 -1.36 116.42 121.57 1bw9 h ASP 455 Ca 0.02 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1bw9 h ASP 455 Cb 0.15 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 1bw9 h ASP 455 CO -0.05 0.39 0.61 0.00 -2.88 0.00 0.00 179.24 177.30 1bw9 h ALA 456 N 1.24 1.39 -0.18 -0.78 0.00 -0.84 0.10 119.26 120.19 1bw9 h ALA 456 Ca 0.22 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1bw9 h ALA 456 Cb 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1bw9 h ALA 456 CO -0.09 0.53 -0.72 0.78 0.00 0.00 0.00 179.25 179.75 1bw9 h GLY 457 N 1.19 0.88 0.99 0.00 0.00 -0.89 -0.13 103.07 105.12 1bw9 h GLY 457 Ca 0.36 -1.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 1bw9 h GLY 457 CO -0.10 1.07 0.24 0.50 0.00 0.00 0.00 176.54 178.24 1bw9 h LYS 458 N 0.54 0.86 -0.45 4.80 1.57 -0.90 0.77 116.57 123.76 1bw9 h LYS 458 Ca -0.04 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 1bw9 h LYS 458 Cb 1.34 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1bw9 h LYS 458 CO 0.15 0.74 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.64 1bw9 h LEU 459 N 0.80 0.83 -0.39 2.94 3.38 -0.81 -1.04 115.31 121.01 1bw9 h LEU 459 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1bw9 h LEU 459 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1bw9 h LEU 459 CO -0.02 0.97 0.19 0.00 0.09 0.00 0.00 178.44 179.67 1bw9 h ALA 460 N 0.89 0.50 -0.80 1.53 0.00 -0.82 -0.94 119.26 119.62 1bw9 h ALA 460 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1bw9 h ALA 460 Cb 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1bw9 h ALA 460 CO 0.03 0.06 0.39 0.78 0.00 0.00 0.00 179.25 180.52 1bw9 h GLY 461 N 0.49 1.22 1.05 0.00 0.00 -0.74 -1.54 103.07 103.54 1bw9 h GLY 461 Ca 0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bw9 h GLY 461 CO -0.02 0.56 0.59 0.00 0.00 0.00 0.00 176.54 177.67 1bw9 h ALA 462 N 1.30 1.26 -0.63 3.60 0.00 -0.81 -1.97 119.26 122.02 1bw9 h ALA 462 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1bw9 h ALA 462 Cb 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1bw9 h ALA 462 CO -0.04 0.65 0.29 0.52 0.00 0.00 0.00 179.25 180.67 1bw9 h MET 463 N 1.29 0.91 -0.32 0.00 2.86 -0.41 0.14 114.93 119.41 1bw9 h MET 463 Ca 0.34 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1bw9 h MET 463 Cb -0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 1bw9 h MET 463 CO -0.07 0.74 0.12 1.15 1.06 0.00 0.00 176.91 179.91 1bw9 h THR 464 N 0.87 0.92 -0.57 2.22 2.02 -0.87 -0.35 112.91 117.15 1bw9 h THR 464 Ca 0.21 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1bw9 h THR 464 Cb 0.14 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1bw9 h THR 464 CO -0.03 0.05 0.27 -0.07 0.37 0.00 0.00 175.52 176.11 1bw9 h LEU 465 N 0.26 0.76 -0.01 2.58 3.38 -1.00 -1.32 115.31 119.97 1bw9 h LEU 465 Ca 0.14 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1bw9 h LEU 465 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1bw9 h LEU 465 CO -0.14 0.69 -0.03 0.50 0.09 0.00 0.00 178.44 179.55 1bw9 h LYS 466 N 0.78 -0.04 -0.54 1.13 3.64 -0.48 0.87 116.57 121.93 1bw9 h LYS 466 Ca 0.20 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1bw9 h LYS 466 Cb 0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1bw9 h LYS 466 CO -0.02 -0.03 0.17 0.52 -2.27 0.00 0.00 179.45 177.82 1bw9 h MET 467 N -0.04 0.84 0.29 1.90 2.86 -0.87 -1.35 114.93 118.56 1bw9 h MET 467 Ca 0.02 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1bw9 h MET 467 Cb 0.07 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1bw9 h MET 467 CO -0.04 0.77 -0.32 0.00 1.06 0.00 0.00 176.91 178.38 1bw9 h ALA 468 N 1.04 -0.67 0.00 6.32 0.00 -0.99 -1.22 119.26 123.73 1bw9 h ALA 468 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bw9 h ALA 468 Cb 0.28 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bw9 h ALA 468 CO -0.01 -0.91 -0.15 -0.24 0.00 0.00 0.00 179.25 177.94 1bw9 h VAL 469 N -0.65 0.38 -0.31 0.00 3.04 -0.80 -2.87 116.25 115.04 1bw9 h VAL 469 Ca -0.01 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1bw9 h VAL 469 Cb 0.61 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1bw9 h VAL 469 CO -0.08 0.15 0.00 -1.20 -1.01 0.00 0.00 177.57 175.43 1bw9 n SER 470 N -3.30 2.32 -3.23 3.17 7.64 -0.52 -4.94 113.62 114.76 1bw9 n SER 470 Ca 0.00 -1.86 -0.23 0.00 1.01 0.00 0.00 58.87 57.79 1bw9 n SER 470 Cb 0.40 -0.20 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1bw9 n SER 470 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bw9 n ASN 471 N 0.75 -5.90 -4.68 6.43 3.02 -0.94 -4.98 115.26 108.96 1bw9 n ASN 471 Ca 0.17 -0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 53.99 1bw9 n ASN 471 Cb 0.41 -4.74 -0.09 0.00 -0.61 0.00 0.00 39.78 34.74 1bw9 n ASN 471 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bw9 s LEU 472 N -6.85 3.67 -1.23 3.41 1.43 -0.51 -5.02 118.68 113.59 1bw9 s LEU 472 Ca 0.40 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.55 1bw9 s LEU 472 Cb -0.18 -1.87 -0.12 0.00 0.03 0.00 0.00 46.19 44.05 1bw9 s LEU 472 CO 0.49 0.33 2.99 -0.81 0.23 0.00 0.00 176.35 179.58 1bw9 n PRO 473 N 2.49 3.19 -3.90 1.29 -0.04 -1.26 -4.55 135.00 132.22 1bw9 n PRO 473 Ca -0.18 -1.88 -0.09 0.00 -0.04 0.00 0.00 63.50 61.31 1bw9 n PRO 473 Cb 0.53 -2.60 -0.08 0.00 -0.04 0.00 0.00 33.50 31.31 1bw9 n PRO 473 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1bw9 s MET 474 N 2.07 0.76 0.50 0.54 -1.94 -1.23 -4.47 119.30 115.52 1bw9 s MET 474 Ca 0.66 -0.95 -0.05 0.00 -1.71 0.00 0.00 55.69 53.64 1bw9 s MET 474 Cb 0.20 0.30 0.11 0.00 2.01 0.00 0.00 34.83 37.45 1bw9 s MET 474 CO -0.05 -0.22 0.68 0.41 -0.01 0.00 0.00 175.02 175.83 1bw9 n GLY 475 N 0.12 -0.29 3.22 -0.03 0.00 0.85 -4.50 105.19 104.56 1bw9 n GLY 475 Ca -0.16 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1bw9 n GLY 475 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw9 s GLY 476 N -4.32 1.22 0.26 -0.02 0.00 0.19 -1.87 107.32 102.77 1bw9 s GLY 476 Ca 0.41 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 1bw9 s GLY 476 CO 0.28 -0.44 0.42 -0.32 0.00 0.00 0.00 173.10 173.04 1bw9 s GLY 477 N 0.11 0.86 -0.13 0.20 0.00 -0.88 -0.06 107.32 107.43 1bw9 s GLY 477 Ca -0.10 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.18 1bw9 s GLY 477 CO 0.05 -0.83 0.86 1.25 0.00 0.00 0.00 173.10 174.43 1bw9 s LYS 478 N -3.86 0.79 0.03 2.90 2.47 -0.25 -3.12 119.74 118.70 1bw9 s LYS 478 Ca 0.27 0.27 0.07 0.00 -1.56 0.00 0.00 55.97 55.02 1bw9 s LYS 478 Cb 0.01 0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 1bw9 s LYS 478 CO 0.12 -0.23 -0.19 -1.12 0.16 0.00 0.00 175.35 174.08 1bw9 s SER 479 N -0.96 3.68 -0.08 1.43 0.01 -0.39 -0.55 113.70 116.83 1bw9 s SER 479 Ca -0.05 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1bw9 s SER 479 Cb -0.01 -0.56 0.02 0.00 0.21 0.00 0.00 66.02 65.68 1bw9 s SER 479 CO 0.04 0.27 -0.07 -0.69 0.41 0.00 0.00 173.24 173.20 1bw9 s VAL 480 N -0.88 0.89 -0.33 3.43 1.01 0.99 -1.09 120.40 124.43 1bw9 s VAL 480 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1bw9 s VAL 480 Cb -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1bw9 s VAL 480 CO 0.04 0.33 0.11 -0.63 0.00 0.00 0.00 175.10 174.95 1bw9 s ILE 481 N 1.34 4.01 -0.56 2.22 1.01 0.36 -0.58 121.20 129.00 1bw9 s ILE 481 Ca -0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 1bw9 s ILE 481 Cb -0.14 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.19 1bw9 s ILE 481 CO -0.03 -0.08 1.00 0.00 0.00 0.00 0.00 174.94 175.83 1bw9 s ALA 482 N 1.47 3.12 0.45 9.38 0.00 0.09 -1.40 121.76 134.87 1bw9 s ALA 482 Ca 0.01 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.58 1bw9 s ALA 482 Cb -0.18 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.03 1bw9 s ALA 482 CO 0.03 -2.47 1.00 -0.51 0.00 0.00 0.00 175.76 173.82 1bw9 s LEU 483 N 4.19 3.92 0.00 0.00 1.43 0.67 -1.80 118.68 127.09 1bw9 s LEU 483 Ca 0.33 1.84 0.27 0.00 -1.03 0.00 0.00 54.13 55.53 1bw9 s LEU 483 Cb -0.12 -4.51 1.17 0.00 0.03 0.00 0.00 46.19 42.76 1bw9 s LEU 483 CO 0.20 -0.57 1.80 -0.81 0.23 0.00 0.00 176.35 177.20 1bw9 n PRO 484 N -0.73 1.51 -3.70 1.29 -0.04 -1.26 -4.46 135.00 127.61 1bw9 n PRO 484 Ca 0.08 -0.74 -0.04 0.00 -0.04 0.00 0.00 63.50 62.76 1bw9 n PRO 484 Cb 0.53 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1bw9 n PRO 484 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw9 s ALA 485 N -1.96 -1.76 0.39 0.55 0.00 -1.26 -5.10 121.76 112.62 1bw9 s ALA 485 Ca 0.38 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 1bw9 s ALA 485 Cb 0.20 0.56 -0.11 0.00 0.00 0.00 0.00 23.12 23.77 1bw9 s ALA 485 CO 0.32 -0.98 1.44 -2.30 0.00 0.00 0.00 175.76 174.25 1bw9 n PRO 486 N -0.43 2.49 -0.25 0.00 -0.02 -1.26 -4.72 135.00 130.81 1bw9 n PRO 486 Ca -0.07 0.87 0.03 0.00 -2.02 0.00 0.00 63.50 62.32 1bw9 n PRO 486 Cb 0.61 -2.61 0.12 0.00 -0.02 0.00 0.00 33.50 31.60 1bw9 n PRO 486 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1bw9 h ARG 487 N 2.71 0.05 0.00 -0.52 9.65 -1.96 0.29 114.38 124.59 1bw9 h ARG 487 Ca -0.50 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 1bw9 h ARG 487 Cb 1.26 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1bw9 h ARG 487 CO 0.63 0.03 -0.07 1.12 2.80 0.00 0.00 179.97 184.48 1bw9 h HIS 488 N 0.05 0.00 -0.00 2.20 2.07 -2.01 -1.82 115.15 115.64 1bw9 h HIS 488 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1bw9 h HIS 488 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 1bw9 h HIS 488 CO -0.50 0.07 -0.27 0.43 -3.07 0.00 0.00 177.93 174.59 1bw9 n SER 489 N -4.14 0.41 -4.72 3.10 7.64 0.96 -4.86 113.62 112.01 1bw9 n SER 489 Ca -0.03 -0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.26 1bw9 n SER 489 Cb 0.15 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1bw9 n SER 489 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bw9 s ILE 490 N -2.86 3.92 0.64 0.44 1.01 -0.69 -4.93 121.20 118.74 1bw9 s ILE 490 Ca 0.16 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 1bw9 s ILE 490 Cb 0.19 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1bw9 s ILE 490 CO 0.60 0.12 1.05 1.51 0.00 0.00 0.00 174.94 178.22 1bw9 s ASP 491 N 0.96 5.66 0.18 3.58 1.47 -1.26 -4.82 116.67 122.43 1bw9 s ASP 491 Ca 0.59 1.68 -0.15 0.00 1.18 0.00 0.00 52.55 55.85 1bw9 s ASP 491 Cb -0.30 -2.51 0.16 0.00 -0.34 0.00 0.00 42.92 39.92 1bw9 s ASP 491 CO 0.30 -1.25 1.69 -0.65 0.68 0.00 0.00 175.17 175.93 1bw9 h PRO 492 N -0.14 0.10 -0.81 2.11 0.11 -1.99 0.11 132.00 131.49 1bw9 h PRO 492 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1bw9 h PRO 492 Cb 1.21 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1bw9 h PRO 492 CO 0.58 0.07 0.42 1.03 -0.21 0.00 0.00 178.00 179.89 1bw9 h SER 493 N 0.10 1.03 -0.23 -2.05 0.87 -1.99 0.27 113.55 111.54 1bw9 h SER 493 Ca 0.23 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1bw9 h SER 493 Cb 0.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1bw9 h SER 493 CO -0.39 0.84 -0.04 0.74 -0.53 0.00 0.00 176.83 177.45 1bw9 h THR 494 N 1.14 1.28 -0.83 2.23 2.02 -1.58 -2.19 112.91 114.99 1bw9 h THR 494 Ca 0.28 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1bw9 h THR 494 Cb 0.06 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1bw9 h THR 494 CO -0.04 0.32 0.54 -0.25 0.37 0.00 0.00 175.52 176.46 1bw9 h TRP 495 N 0.19 1.03 -0.72 3.16 2.91 -0.48 -0.94 115.95 121.10 1bw9 h TRP 495 Ca 0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1bw9 h TRP 495 Cb 0.49 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 1bw9 h TRP 495 CO 0.05 0.63 0.45 0.00 -1.03 0.00 0.00 178.44 178.54 1bw9 h ALA 496 N 1.32 0.91 -0.57 2.65 0.00 -0.80 0.24 119.26 123.01 1bw9 h ALA 496 Ca 0.31 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1bw9 h ALA 496 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1bw9 h ALA 496 CO -0.08 0.37 -0.06 -0.09 0.00 0.00 0.00 179.25 179.39 1bw9 h ARG 497 N 0.98 1.04 -0.23 0.00 2.43 -1.01 -0.58 114.38 117.00 1bw9 h ARG 497 Ca 0.26 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1bw9 h ARG 497 Cb -0.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1bw9 h ARG 497 CO -0.05 1.05 -0.05 0.82 -1.51 0.00 0.00 179.97 180.23 1bw9 h ILE 498 N 0.92 0.77 -0.75 1.20 2.04 -0.62 0.13 117.51 121.21 1bw9 h ILE 498 Ca 0.15 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1bw9 h ILE 498 Cb 0.62 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1bw9 h ILE 498 CO 0.04 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.39 1bw9 h LEU 499 N 0.01 1.06 -0.45 1.44 3.38 -0.77 -0.21 115.31 119.77 1bw9 h LEU 499 Ca 0.11 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1bw9 h LEU 499 Cb 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1bw9 h LEU 499 CO -0.24 0.97 0.15 -0.09 0.09 0.00 0.00 178.44 179.32 1bw9 h ARG 500 N 1.10 0.30 -0.51 1.13 2.43 -0.31 0.56 114.38 119.08 1bw9 h ARG 500 Ca 0.25 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1bw9 h ARG 500 Cb 0.26 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1bw9 h ARG 500 CO -0.01 0.20 0.11 0.82 -1.51 0.00 0.00 179.97 179.57 1bw9 h ILE 501 N 0.31 1.25 -0.60 1.20 2.04 -0.58 -1.88 117.51 119.25 1bw9 h ILE 501 Ca 0.21 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1bw9 h ILE 501 Cb 0.22 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1bw9 h ILE 501 CO -0.23 0.32 0.35 -0.74 0.00 0.00 0.00 178.15 177.85 1bw9 h HIS 502 N 0.71 0.64 -0.95 1.37 2.76 -0.65 -1.63 115.15 117.39 1bw9 h HIS 502 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1bw9 h HIS 502 Cb 0.36 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 1bw9 h HIS 502 CO 0.02 0.35 0.61 0.00 -1.30 0.00 0.00 177.93 177.61 1bw9 h ALA 503 N 1.28 1.21 -0.82 5.26 0.00 -0.59 -1.18 119.26 124.42 1bw9 h ALA 503 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1bw9 h ALA 503 Cb 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1bw9 h ALA 503 CO -0.13 0.63 0.45 0.93 0.00 0.00 0.00 179.25 181.14 1bw9 h GLU 504 N 1.30 1.15 -0.09 0.00 5.08 -0.74 0.19 114.58 121.47 1bw9 h GLU 504 Ca 0.35 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1bw9 h GLU 504 Cb -0.11 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.91 1bw9 h GLU 504 CO -0.07 0.84 0.02 -0.91 -1.00 0.00 0.00 179.01 177.89 1bw9 h ASN 505 N 1.15 0.14 -0.63 1.42 2.35 -0.70 -2.32 115.58 117.00 1bw9 h ASN 505 Ca 0.29 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1bw9 h ASN 505 Cb 0.03 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1bw9 h ASN 505 CO -0.05 0.35 0.37 0.40 -1.65 0.00 0.00 177.43 176.86 1bw9 h ILE 506 N -0.07 1.03 -0.79 2.81 2.04 -1.03 -2.61 117.51 118.89 1bw9 h ILE 506 Ca 0.03 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1bw9 h ILE 506 Cb 0.27 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1bw9 h ILE 506 CO 0.00 0.13 0.52 -0.78 0.00 0.00 0.00 178.15 178.02 1bw9 h ASP 507 N 0.72 0.75 0.22 1.72 3.58 -0.34 -0.53 116.42 122.53 1bw9 h ASP 507 Ca 0.26 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1bw9 h ASP 507 Cb 0.08 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 1bw9 h ASP 507 CO -0.13 0.49 -0.08 0.11 -2.88 0.00 0.00 179.24 176.75 1bw9 h LYS 508 N 0.86 0.00 -0.00 0.28 1.57 -1.02 -0.46 116.57 117.79 1bw9 h LYS 508 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1bw9 h LYS 508 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bw9 h LYS 508 CO -0.12 0.08 0.00 1.28 -0.57 0.00 0.00 179.45 180.12 1bw9 n LEU 509 N -3.75 0.15 -4.00 2.94 4.77 -0.21 -4.93 117.00 111.98 1bw9 n LEU 509 Ca -0.02 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.62 1bw9 n LEU 509 Cb 0.18 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1bw9 n LEU 509 CO 0.29 0.03 -0.33 -1.20 -1.33 0.00 0.00 177.39 174.85 1bw9 n SER 510 N -0.87 -0.20 0.00 -1.43 7.64 -0.18 -0.21 113.62 118.37 1bw9 n SER 510 Ca 0.23 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1bw9 n SER 510 Cb 0.13 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1bw9 n SER 510 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bw9 n GLY 511 N -2.20 0.82 0.05 0.23 0.00 -1.26 -4.90 105.19 97.93 1bw9 n GLY 511 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1bw9 n GLY 511 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bw9 n ASN 512 N 0.00 0.41 -3.78 1.61 3.02 0.70 -4.70 115.26 112.53 1bw9 n ASN 512 Ca 0.00 0.54 -0.15 0.00 -0.03 0.00 0.00 54.58 54.95 1bw9 n ASN 512 Cb 0.00 -0.65 -0.16 0.00 -0.61 0.00 0.00 39.78 38.36 1bw9 n ASN 512 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bw9 s TYR 513 N -3.06 0.01 -0.13 3.10 5.04 -1.26 -0.41 117.35 120.65 1bw9 s TYR 513 Ca 0.12 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.91 1bw9 s TYR 513 Cb 0.15 -0.20 -0.00 0.00 0.35 0.00 0.00 41.96 42.26 1bw9 s TYR 513 CO 0.55 -0.09 -0.18 -1.58 -1.34 0.00 0.00 175.55 172.91 1bw9 s TRP 514 N 0.97 2.71 0.57 4.97 0.52 -0.02 -4.82 118.94 123.83 1bw9 s TRP 514 Ca -0.08 -0.95 0.09 0.00 0.02 0.00 0.00 56.10 55.17 1bw9 s TRP 514 Cb -0.11 -1.81 0.10 0.00 -1.15 0.00 0.00 33.47 30.49 1bw9 s TRP 514 CO -0.03 -0.39 0.79 -2.37 0.02 0.00 0.00 176.95 174.97 1bw9 n THR 515 N 3.73 0.00 -3.87 2.01 5.66 -0.67 -1.80 114.28 119.33 1bw9 n THR 515 Ca -0.19 -1.84 -0.00 0.00 -3.05 0.00 0.00 64.05 58.97 1bw9 n THR 515 Cb 0.52 -0.56 0.01 0.00 -1.55 0.00 0.00 70.33 68.76 1bw9 n THR 515 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bw9 n GLY 516 N -1.86 0.56 3.85 1.09 0.00 -1.22 -0.32 105.19 107.30 1bw9 n GLY 516 Ca 0.16 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1bw9 n GLY 516 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bw9 s PRO 517 N -2.03 3.46 0.00 1.61 0.02 -1.26 -0.16 135.00 136.64 1bw9 s PRO 517 Ca 0.20 0.84 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1bw9 s PRO 517 Cb -0.01 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1bw9 s PRO 517 CO 0.02 -0.68 0.00 -3.47 -0.33 0.00 0.00 177.00 172.54 1bw9 n ASP 518 N -2.69 0.00 -4.69 2.53 2.03 -1.08 -4.17 116.55 108.48 1bw9 n ASP 518 Ca 0.07 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.94 1bw9 n ASP 518 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1bw9 n ASP 518 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1bw9 n VAL 519 N 0.00 0.31 -1.02 5.18 0.31 -1.26 -1.64 118.33 120.23 1bw9 n VAL 519 Ca 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.27 1bw9 n VAL 519 Cb 0.00 -1.98 -0.00 0.00 -0.91 0.00 0.00 33.84 30.94 1bw9 n VAL 519 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1bw9 n ASN 520 N 5.31 -3.89 -4.19 4.52 3.02 -1.26 -0.72 115.26 118.05 1bw9 n ASN 520 Ca 0.18 0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.53 1bw9 n ASN 520 Cb 0.35 -1.43 -0.13 0.00 -0.61 0.00 0.00 39.78 37.95 1bw9 n ASN 520 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bw9 s THR 521 N -1.75 1.31 0.16 3.41 -4.23 -0.65 -4.75 115.64 109.15 1bw9 s THR 521 Ca 0.00 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1bw9 s THR 521 Cb 0.00 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 1bw9 s THR 521 CO 0.00 -0.01 0.11 -0.46 -0.54 0.00 0.00 174.62 173.72 1bw9 n ASN 522 N 1.64 0.12 -0.14 3.99 0.23 -1.26 -3.82 115.26 116.01 1bw9 n ASN 522 Ca -0.19 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 1bw9 n ASN 522 Cb 0.54 0.68 0.27 0.00 -2.08 0.00 0.00 39.78 39.19 1bw9 n ASN 522 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1bw9 h SER 523 N 0.88 0.75 -0.71 0.53 4.64 -1.95 0.70 113.55 118.38 1bw9 h SER 523 Ca -0.12 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1bw9 h SER 523 Cb 0.56 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1bw9 h SER 523 CO 0.18 0.60 0.29 0.00 -0.87 0.00 0.00 176.83 177.03 1bw9 h ALA 524 N 1.53 1.13 -0.58 5.18 0.00 -1.96 0.43 119.26 124.99 1bw9 h ALA 524 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1bw9 h ALA 524 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1bw9 h ALA 524 CO -0.04 0.62 0.03 -0.44 0.00 0.00 0.00 179.25 179.43 1bw9 h ASP 525 N 1.06 0.95 -0.50 0.00 3.32 -1.37 -1.53 116.42 118.35 1bw9 h ASP 525 Ca 0.24 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bw9 h ASP 525 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1bw9 h ASP 525 CO -0.02 0.99 0.32 0.24 -1.72 0.00 0.00 179.24 179.04 1bw9 h MET 526 N 0.91 0.63 -0.72 3.56 2.86 -0.25 0.63 114.93 122.55 1bw9 h MET 526 Ca 0.17 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1bw9 h MET 526 Cb 0.49 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1bw9 h MET 526 CO 0.02 0.41 0.46 -0.44 1.06 0.00 0.00 176.91 178.42 1bw9 h ASP 527 N 0.65 0.76 -0.38 1.22 3.32 -0.59 0.17 116.42 121.56 1bw9 h ASP 527 Ca 0.19 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1bw9 h ASP 527 Cb -0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1bw9 h ASP 527 CO -0.06 0.52 0.19 0.74 -1.72 0.00 0.00 179.24 178.91 1bw9 h THR 528 N 0.90 1.17 -0.83 0.35 2.02 -0.64 -1.79 112.91 114.09 1bw9 h THR 528 Ca 0.29 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 67.05 1bw9 h THR 528 Cb 0.01 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1bw9 h THR 528 CO -0.11 0.18 0.52 -0.07 0.37 0.00 0.00 175.52 176.41 1bw9 h LEU 529 N 0.48 0.83 -2.71 2.58 3.38 -0.32 -0.48 115.31 119.06 1bw9 h LEU 529 Ca 0.13 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bw9 h LEU 529 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bw9 h LEU 529 CO -0.02 0.54 -0.01 -1.13 0.09 0.00 0.00 178.44 177.92 1bw9 h ASN 530 N 0.97 0.00 0.38 -0.43 -0.00 0.09 0.08 115.58 116.67 1bw9 h ASN 530 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.65 1bw9 h ASN 530 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 1bw9 h ASN 530 CO -0.15 0.01 0.00 0.44 -0.00 0.00 0.00 177.43 177.72 1bw9 h ASP 531 N 0.00 0.00 0.00 1.15 3.32 -0.27 -3.28 116.42 117.34 1bw9 h ASP 531 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bw9 h ASP 531 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1bw9 h ASP 531 CO 0.00 0.00 -0.91 0.41 -1.72 0.00 0.00 179.24 177.02 1bw9 n THR 532 N -2.49 0.00 -4.07 0.35 -1.04 -0.10 -5.07 114.28 101.86 1bw9 n THR 532 Ca -0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1bw9 n THR 532 Cb 0.14 -0.74 -0.13 0.00 -1.82 0.00 0.00 70.33 67.77 1bw9 n THR 532 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bw9 s THR 533 N -1.90 0.35 0.09 12.58 -1.32 -0.52 -4.91 115.64 120.01 1bw9 s THR 533 Ca 0.00 -0.51 0.17 0.00 -1.21 0.00 0.00 61.69 60.13 1bw9 s THR 533 Cb 0.00 -0.36 0.09 0.00 -1.51 0.00 0.00 72.50 70.71 1bw9 s THR 533 CO 0.00 -0.11 1.63 -0.08 -2.21 0.00 0.00 174.62 173.84 1bw9 h GLU 534 N 5.44 0.00 -3.38 7.08 4.81 -1.88 -3.37 114.58 123.28 1bw9 h GLU 534 Ca -0.30 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.24 1bw9 h GLU 534 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1bw9 h GLU 534 CO 0.47 0.46 3.57 1.19 -0.73 0.00 0.00 179.01 183.97 1bw9 n PHE 535 N -3.46 2.85 -3.82 0.92 3.72 -1.26 -4.85 117.46 111.57 1bw9 n PHE 535 Ca 0.00 -3.05 -0.19 0.00 -0.05 0.00 0.00 57.45 54.16 1bw9 n PHE 535 Cb 0.60 -2.52 -0.17 0.00 -0.94 0.00 0.00 39.48 36.45 1bw9 n PHE 535 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bw9 s VAL 536 N 2.54 0.16 0.24 -4.37 1.01 -1.26 -1.68 120.40 117.05 1bw9 s VAL 536 Ca 0.61 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.82 1bw9 s VAL 536 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1bw9 s VAL 536 CO -0.07 0.19 0.35 -0.36 0.00 0.00 0.00 175.10 175.20 1bw9 s PHE 537 N 1.57 3.42 0.00 5.22 0.08 0.57 -4.62 117.98 124.22 1bw9 s PHE 537 Ca -0.02 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.00 1bw9 s PHE 537 Cb -0.13 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1bw9 s PHE 537 CO -0.03 0.44 0.00 0.41 -0.10 0.00 0.00 175.22 175.94 1bw9 n GLY 538 N -1.39 0.57 3.73 4.36 0.00 -1.26 -4.13 105.19 107.07 1bw9 n GLY 538 Ca -0.09 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1bw9 n GLY 538 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bw9 s ARG 539 N -0.84 1.78 0.83 1.61 0.52 -1.26 -4.32 118.95 117.26 1bw9 s ARG 539 Ca 0.00 1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 56.33 1bw9 s ARG 539 Cb 0.00 -1.84 0.10 0.00 0.52 0.00 0.00 34.95 33.73 1bw9 s ARG 539 CO 0.00 -2.01 1.19 -1.54 0.02 0.00 0.00 175.30 172.97 1bw9 s SER 540 N -3.18 3.45 0.27 0.23 1.04 -1.26 -0.92 113.70 113.33 1bw9 s SER 540 Ca 0.63 2.33 -0.01 0.00 0.48 0.00 0.00 55.95 59.38 1bw9 s SER 540 Cb -0.19 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 63.81 1bw9 s SER 540 CO 0.57 -2.76 1.85 -0.07 0.98 0.00 0.00 173.24 173.81 1bw9 h LEU 541 N -1.11 0.95 -1.88 2.42 3.38 -1.87 -0.37 115.31 116.83 1bw9 h LEU 541 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1bw9 h LEU 541 Cb 1.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1bw9 h LEU 541 CO 0.45 0.56 0.08 -0.33 0.09 0.00 0.00 178.44 179.29 1bw9 h GLU 542 N 1.05 0.16 -0.02 1.13 3.07 -1.89 -1.44 114.58 116.64 1bw9 h GLU 542 Ca 0.46 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1bw9 h GLU 542 Cb 0.32 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1bw9 h GLU 542 CO -0.22 0.10 -0.05 0.54 -1.40 0.00 0.00 179.01 177.99 1bw9 n ARG 543 N -4.52 1.78 0.00 2.33 5.12 -0.35 -4.94 116.66 116.08 1bw9 n ARG 543 Ca -0.01 -1.23 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 1bw9 n ARG 543 Cb 0.08 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 1bw9 n ARG 543 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bw9 n GLY 544 N 1.26 0.71 0.40 -0.13 0.00 -0.54 -4.90 105.19 101.98 1bw9 n GLY 544 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1bw9 n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw9 n GLY 545 N -1.10 0.78 0.12 -0.02 0.00 -0.30 -4.96 105.19 99.71 1bw9 n GLY 545 Ca 0.00 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.18 1bw9 n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 n ALA 546 N -2.99 3.15 -0.26 4.61 0.00 -1.19 -4.01 120.51 119.82 1bw9 n ALA 546 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1bw9 n ALA 546 Cb 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1bw9 n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw9 n GLY 547 N 1.40 -0.44 3.75 0.00 0.00 -0.10 -4.79 105.19 105.02 1bw9 n GLY 547 Ca 0.10 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1bw9 n GLY 547 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bw9 s SER 548 N -4.00 6.52 0.00 1.61 0.15 -1.26 -4.71 113.70 112.00 1bw9 s SER 548 Ca 0.00 2.83 0.14 0.00 0.70 0.00 0.00 55.95 59.61 1bw9 s SER 548 Cb 0.00 -2.64 0.21 0.00 -1.71 0.00 0.00 66.02 61.88 1bw9 s SER 548 CO 0.00 -0.79 1.07 -1.54 1.20 0.00 0.00 173.24 173.18 1bw9 n SER 549 N 1.87 2.51 -0.04 5.45 3.41 -1.26 -4.72 113.62 120.84 1bw9 n SER 549 Ca 0.06 -1.73 -0.08 0.00 -0.26 0.00 0.00 58.87 56.86 1bw9 n SER 549 Cb 0.39 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1bw9 n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw9 h ALA 550 N 2.63 -0.11 -0.36 7.33 0.00 -1.94 -0.19 119.26 126.61 1bw9 h ALA 550 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bw9 h ALA 550 Cb 0.65 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1bw9 h ALA 550 CO 0.00 -0.65 0.24 0.35 0.00 0.00 0.00 179.25 179.18 1bw9 h PHE 551 N -0.24 0.46 -0.77 0.00 3.57 -1.87 0.22 116.94 118.31 1bw9 h PHE 551 Ca 0.13 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1bw9 h PHE 551 Cb 0.44 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1bw9 h PHE 551 CO -0.37 0.29 0.47 1.15 -2.23 0.00 0.00 178.31 177.61 1bw9 h THR 552 N 0.49 1.03 -0.53 4.41 2.02 -1.73 0.20 112.91 118.80 1bw9 h THR 552 Ca 0.13 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1bw9 h THR 552 Cb -0.05 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 1bw9 h THR 552 CO -0.03 0.16 0.31 0.74 0.37 0.00 0.00 175.52 177.07 1bw9 h THR 553 N 0.86 1.17 -0.42 3.16 2.02 -0.49 -1.51 112.91 117.70 1bw9 h THR 553 Ca 0.34 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1bw9 h THR 553 Cb 0.15 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1bw9 h THR 553 CO -0.17 0.17 0.16 0.00 0.37 0.00 0.00 175.52 176.05 1bw9 h ALA 554 N 1.14 0.50 -0.66 6.16 0.00 -0.00 0.56 119.26 126.95 1bw9 h ALA 554 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1bw9 h ALA 554 Cb 0.01 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1bw9 h ALA 554 CO -0.03 -0.23 0.40 0.28 0.00 0.00 0.00 179.25 179.67 1bw9 h VAL 555 N 0.33 1.05 -0.46 0.00 2.07 -0.25 0.70 116.25 119.68 1bw9 h VAL 555 Ca 0.19 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1bw9 h VAL 555 Cb 0.17 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1bw9 h VAL 555 CO -0.19 0.14 0.16 1.23 0.02 0.00 0.00 177.57 178.94 1bw9 h GLY 556 N 0.77 0.76 1.04 2.17 0.00 -0.51 -0.56 103.07 106.74 1bw9 h GLY 556 Ca 0.28 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1bw9 h GLY 556 CO -0.13 0.41 0.25 -2.08 0.00 0.00 0.00 176.54 174.98 1bw9 h VAL 557 N 0.61 1.26 -0.39 4.60 2.07 -0.56 0.19 116.25 124.03 1bw9 h VAL 557 Ca 0.15 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1bw9 h VAL 557 Cb 0.24 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1bw9 h VAL 557 CO -0.01 0.34 0.16 0.15 0.02 0.00 0.00 177.57 178.23 1bw9 h PHE 558 N 1.05 0.58 -0.58 1.57 3.57 -0.57 0.40 116.94 122.97 1bw9 h PHE 558 Ca 0.23 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1bw9 h PHE 558 Cb 0.27 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1bw9 h PHE 558 CO 0.02 0.51 0.11 0.93 -2.23 0.00 0.00 178.31 177.65 1bw9 h GLU 559 N 0.48 0.95 -0.34 1.11 4.39 -0.95 0.14 114.58 120.35 1bw9 h GLU 559 Ca 0.13 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.65 1bw9 h GLU 559 Cb 0.17 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1bw9 h GLU 559 CO -0.01 0.89 -0.00 0.00 -1.16 0.00 0.00 179.01 178.73 1bw9 h ALA 560 N 1.01 0.31 -0.73 3.43 0.00 -0.09 0.36 119.26 123.55 1bw9 h ALA 560 Ca 0.18 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1bw9 h ALA 560 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1bw9 h ALA 560 CO 0.01 -0.40 0.47 1.98 0.00 0.00 0.00 179.25 181.31 1bw9 h MET 561 N 0.09 0.92 -0.67 0.00 1.85 0.23 -0.32 114.93 117.03 1bw9 h MET 561 Ca 0.17 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.15 1bw9 h MET 561 Cb 0.23 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 1bw9 h MET 561 CO -0.28 0.61 0.21 0.87 -0.40 0.00 0.00 176.91 177.92 1bw9 h LYS 562 N 0.95 1.03 -0.53 0.39 1.57 0.08 -0.26 116.57 119.80 1bw9 h LYS 562 Ca 0.28 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1bw9 h LYS 562 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1bw9 h LYS 562 CO -0.08 0.90 -0.00 0.00 -0.57 0.00 0.00 179.45 179.69 1bw9 h ALA 563 N 1.09 1.00 -0.25 3.86 0.00 -0.51 -1.28 119.26 123.17 1bw9 h ALA 563 Ca 0.22 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1bw9 h ALA 563 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1bw9 h ALA 563 CO -0.01 0.61 -0.06 1.15 0.00 0.00 0.00 179.25 180.95 1bw9 h THR 564 N 0.83 1.28 -0.62 0.00 2.02 -0.73 -0.90 112.91 114.79 1bw9 h THR 564 Ca 0.16 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.31 1bw9 h THR 564 Cb 0.50 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 1bw9 h THR 564 CO 0.02 0.33 0.36 0.58 0.37 0.00 0.00 175.52 177.18 1bw9 h VAL 565 N 0.22 1.02 -0.59 3.16 2.07 -0.97 0.57 116.25 121.74 1bw9 h VAL 565 Ca 0.06 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1bw9 h VAL 565 Cb 0.53 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1bw9 h VAL 565 CO 0.02 0.13 0.03 0.00 0.02 0.00 0.00 177.57 177.77 1bw9 h ALA 566 N 1.30 0.79 -0.09 1.67 0.00 -1.09 -1.68 119.26 120.15 1bw9 h ALA 566 Ca 0.26 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1bw9 h ALA 566 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1bw9 h ALA 566 CO -0.14 0.59 -0.34 1.25 0.00 0.00 0.00 179.25 180.61 1bw9 h HIS 567 N 0.91 0.21 0.00 0.00 2.76 -0.66 -1.90 115.15 116.46 1bw9 h HIS 567 Ca 0.17 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1bw9 h HIS 567 Cb 0.51 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1bw9 h HIS 567 CO 0.04 0.51 0.00 -2.13 -1.30 0.00 0.00 177.93 175.05 1bw9 n ARG 568 N -4.09 0.17 -0.70 5.26 3.00 0.15 -4.88 116.66 115.56 1bw9 n ARG 568 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1bw9 n ARG 568 Cb 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1bw9 n ARG 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw9 n GLY 569 N 0.49 0.59 0.56 5.14 0.00 -0.72 -4.96 105.19 106.31 1bw9 n GLY 569 Ca 0.08 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1bw9 n GLY 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw9 n LEU 570 N 0.00 1.79 0.00 0.99 4.32 -0.65 -5.02 117.00 118.42 1bw9 n LEU 570 Ca 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 56.01 55.40 1bw9 n LEU 570 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1bw9 n LEU 570 CO 0.00 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 1bw9 n GLY 571 N 1.24 1.93 3.71 -0.72 0.00 -1.25 -4.80 105.19 105.29 1bw9 n GLY 571 Ca 0.17 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1bw9 n GLY 571 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bw9 s SER 572 N -4.00 4.10 0.55 1.61 1.04 -1.26 -3.58 113.70 112.16 1bw9 s SER 572 Ca 0.00 -1.43 0.31 0.00 0.48 0.00 0.00 55.95 55.31 1bw9 s SER 572 Cb 0.00 -0.01 1.57 0.00 0.10 0.00 0.00 66.02 67.67 1bw9 s SER 572 CO 0.00 -0.66 2.10 -0.07 0.98 0.00 0.00 173.24 175.59 1bw9 h LEU 573 N 1.50 0.00 -9.37 2.42 3.38 -1.87 -3.44 115.31 107.93 1bw9 h LEU 573 Ca -0.43 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.92 1bw9 h LEU 573 Cb 1.27 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.06 1bw9 h LEU 573 CO 0.75 0.09 0.87 -0.67 0.09 0.00 0.00 178.44 179.57 1bw9 n ASP 574 N -3.49 2.98 -0.02 -0.43 -0.08 -1.16 -1.01 116.55 113.34 1bw9 n ASP 574 Ca -0.02 1.05 -0.00 0.00 -1.51 0.00 0.00 54.79 54.31 1bw9 n ASP 574 Cb 0.23 -1.35 -0.00 0.00 2.34 0.00 0.00 41.12 42.33 1bw9 n ASP 574 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bw9 n GLY 575 N 3.71 0.47 3.83 0.27 0.00 -0.51 -4.90 105.19 108.06 1bw9 n GLY 575 Ca 0.20 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1bw9 n GLY 575 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw9 s LEU 576 N -0.06 3.96 -0.23 0.99 1.43 -0.18 -4.91 118.68 119.68 1bw9 s LEU 576 Ca 0.00 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1bw9 s LEU 576 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1bw9 s LEU 576 CO 0.00 0.09 0.12 -0.89 0.23 0.00 0.00 176.35 175.90 1bw9 s THR 577 N -1.66 5.00 -0.15 5.49 2.01 -1.26 -0.25 115.64 124.82 1bw9 s THR 577 Ca 0.32 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1bw9 s THR 577 Cb -0.11 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.08 1bw9 s THR 577 CO 0.25 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 1bw9 s VAL 578 N 1.08 2.38 -0.43 3.82 1.01 0.09 -0.14 120.40 128.20 1bw9 s VAL 578 Ca 0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1bw9 s VAL 578 Cb -0.14 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1bw9 s VAL 578 CO 0.04 0.53 0.38 -0.22 0.00 0.00 0.00 175.10 175.83 1bw9 s LEU 579 N 0.88 5.15 -0.30 3.92 0.20 0.07 -1.00 118.68 127.61 1bw9 s LEU 579 Ca -0.05 -0.94 -0.16 0.00 0.69 0.00 0.00 54.13 53.68 1bw9 s LEU 579 Cb -0.15 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.34 1bw9 s LEU 579 CO -0.02 -0.56 0.42 -0.69 -0.29 0.00 0.00 176.35 175.20 1bw9 s VAL 580 N 1.86 5.13 -0.48 1.68 1.01 0.54 -0.20 120.40 129.93 1bw9 s VAL 580 Ca 0.07 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 1bw9 s VAL 580 Cb -0.20 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.48 1bw9 s VAL 580 CO 0.10 0.03 0.41 -1.58 0.00 0.00 0.00 175.10 174.06 1bw9 s GLN 581 N 2.15 2.95 0.00 2.72 0.74 -0.09 -2.02 119.66 126.11 1bw9 s GLN 581 Ca 0.16 -1.43 0.00 0.00 0.05 0.00 0.00 55.36 54.14 1bw9 s GLN 581 Cb -0.16 -4.14 0.00 0.00 1.10 0.00 0.00 33.01 29.81 1bw9 s GLN 581 CO 0.11 -1.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 1bw9 n GLY 582 N 5.19 1.67 2.15 2.59 0.00 0.39 0.23 105.19 117.42 1bw9 n GLY 582 Ca -0.13 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1bw9 n GLY 582 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw9 n LEU 583 N 0.00 6.67 0.00 0.99 4.77 -1.25 -4.22 117.00 123.96 1bw9 n LEU 583 Ca 0.00 -4.29 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 1bw9 n LEU 583 Cb 0.00 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1bw9 n LEU 583 CO 0.00 1.56 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1bw9 n GLY 584 N -0.91 -1.65 0.17 -0.72 0.00 -1.26 -4.10 105.19 96.72 1bw9 n GLY 584 Ca 0.56 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 1bw9 n GLY 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 h ALA 585 N -2.00 0.39 0.05 4.61 0.00 -1.95 0.44 119.26 120.80 1bw9 h ALA 585 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bw9 h ALA 585 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1bw9 h ALA 585 CO 0.00 -0.39 -0.02 0.28 0.00 0.00 0.00 179.25 179.12 1bw9 h VAL 586 N 0.11 1.08 -0.97 0.00 2.07 -1.91 -3.18 116.25 113.44 1bw9 h VAL 586 Ca 0.21 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.20 1bw9 h VAL 586 Cb 0.30 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 1bw9 h VAL 586 CO -0.34 0.34 0.62 1.23 0.02 0.00 0.00 177.57 179.43 1bw9 h GLY 587 N -0.93 1.51 0.95 2.17 0.00 -1.72 0.14 103.07 105.20 1bw9 h GLY 587 Ca -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1bw9 h GLY 587 CO 0.01 0.27 0.12 -1.33 0.00 0.00 0.00 176.54 175.62 1bw9 h GLY 588 N 1.08 0.29 1.31 4.60 0.00 -0.25 0.24 103.07 110.36 1bw9 h GLY 588 Ca 0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1bw9 h GLY 588 CO -0.20 0.09 -0.08 1.76 0.00 0.00 0.00 176.54 178.11 1bw9 h SER 589 N 0.26 0.81 -0.49 0.19 0.02 -1.39 -2.08 113.55 110.86 1bw9 h SER 589 Ca 0.08 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1bw9 h SER 589 Cb -0.00 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1bw9 h SER 589 CO -0.04 0.92 0.26 0.25 -1.14 0.00 0.00 176.83 177.08 1bw9 h LEU 590 N 0.75 0.62 -0.52 5.07 5.85 -0.25 -1.20 115.31 125.62 1bw9 h LEU 590 Ca 0.13 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1bw9 h LEU 590 Cb 0.57 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1bw9 h LEU 590 CO 0.03 0.54 0.33 0.00 -0.34 0.00 0.00 178.44 179.00 1bw9 h ALA 591 N 1.10 0.66 -0.44 1.25 0.00 -0.73 0.27 119.26 121.37 1bw9 h ALA 591 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1bw9 h ALA 591 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1bw9 h ALA 591 CO -0.03 0.06 0.20 1.03 0.00 0.00 0.00 179.25 180.51 1bw9 h SER 592 N 0.66 0.27 -0.50 0.00 0.87 -0.99 0.99 113.55 114.86 1bw9 h SER 592 Ca 0.20 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1bw9 h SER 592 Cb -0.03 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1bw9 h SER 592 CO -0.07 0.20 0.16 -0.07 -0.53 0.00 0.00 176.83 176.52 1bw9 h LEU 593 N 0.41 0.73 -0.70 2.23 3.38 -0.75 -0.26 115.31 120.36 1bw9 h LEU 593 Ca 0.19 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1bw9 h LEU 593 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1bw9 h LEU 593 CO -0.16 0.74 -0.59 0.00 0.09 0.00 0.00 178.44 178.52 1bw9 h ALA 594 N 1.02 0.89 -0.44 1.53 0.00 -0.66 -1.65 119.26 119.95 1bw9 h ALA 594 Ca 0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1bw9 h ALA 594 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bw9 h ALA 594 CO -0.01 0.72 -0.28 0.00 0.00 0.00 0.00 179.25 179.69 1bw9 h ALA 595 N 1.24 0.63 -0.96 0.00 0.00 -0.53 -1.30 119.26 118.34 1bw9 h ALA 595 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bw9 h ALA 595 Cb 1.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1bw9 h ALA 595 CO 0.09 0.67 0.61 1.49 0.00 0.00 0.00 179.25 182.10 1bw9 h GLU 596 N 0.81 1.28 0.00 0.00 4.57 -0.89 -1.28 114.58 119.08 1bw9 h GLU 596 Ca 0.09 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1bw9 h GLU 596 Cb 0.87 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1bw9 h GLU 596 CO 0.08 0.87 0.00 0.00 -1.18 0.00 0.00 179.01 178.78 1bw9 n ALA 597 N -2.39 1.60 0.00 2.92 0.00 -0.63 -4.85 120.51 117.16 1bw9 n ALA 597 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1bw9 n ALA 597 Cb 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1bw9 n ALA 597 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw9 n GLY 598 N -0.36 0.86 3.86 0.00 0.00 -0.48 -3.01 105.19 106.07 1bw9 n GLY 598 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1bw9 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 s ALA 599 N -2.00 3.12 -0.23 4.61 0.00 -0.55 -1.42 121.76 125.29 1bw9 s ALA 599 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.84 1bw9 s ALA 599 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1bw9 s ALA 599 CO 0.00 -0.42 0.21 -0.65 0.00 0.00 0.00 175.76 174.91 1bw9 s GLN 600 N -4.56 4.11 -0.21 0.00 -1.52 0.66 -4.42 119.66 113.71 1bw9 s GLN 600 Ca 0.56 -0.15 -0.10 0.00 -1.95 0.00 0.00 55.36 53.72 1bw9 s GLN 600 Cb -0.10 -3.52 -0.05 0.00 -0.22 0.00 0.00 33.01 29.11 1bw9 s GLN 600 CO 0.42 0.07 0.12 -0.51 -0.25 0.00 0.00 175.29 175.14 1bw9 s LEU 601 N 1.03 4.09 -0.15 2.90 2.01 -1.26 -0.73 118.68 126.56 1bw9 s LEU 601 Ca 0.10 0.16 -0.05 0.00 0.01 0.00 0.00 54.13 54.36 1bw9 s LEU 601 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 43.97 1bw9 s LEU 601 CO 0.05 0.14 -0.00 -0.76 1.01 0.00 0.00 176.35 176.79 1bw9 s LEU 602 N 0.57 3.47 0.05 1.79 1.43 -0.17 -1.63 118.68 124.19 1bw9 s LEU 602 Ca 0.07 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1bw9 s LEU 602 Cb -0.12 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1bw9 s LEU 602 CO 0.00 0.20 -0.11 0.68 0.23 0.00 0.00 176.35 177.35 1bw9 s VAL 603 N 0.20 0.84 -0.03 -1.59 -7.23 0.75 -0.34 120.40 113.00 1bw9 s VAL 603 Ca 0.00 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1bw9 s VAL 603 Cb -0.13 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1bw9 s VAL 603 CO 0.02 -0.28 0.10 0.00 -0.31 0.00 0.00 175.10 174.64 1bw9 s ALA 604 N -1.27 -0.25 -0.15 1.32 0.00 -0.86 -0.36 121.76 120.19 1bw9 s ALA 604 Ca -0.05 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1bw9 s ALA 604 Cb -0.10 -0.13 0.09 0.00 0.00 0.00 0.00 23.12 22.98 1bw9 s ALA 604 CO 0.01 -0.08 0.79 0.34 0.00 0.00 0.00 175.76 176.83 1bw9 s ASP 605 N -0.20 -0.60 0.53 0.00 -1.08 -1.26 -0.46 116.67 113.60 1bw9 s ASP 605 Ca -0.03 0.84 0.31 0.00 -0.52 0.00 0.00 52.55 53.15 1bw9 s ASP 605 Cb -0.02 0.74 1.20 0.00 -1.46 0.00 0.00 42.92 43.38 1bw9 s ASP 605 CO 0.00 -0.43 1.93 0.71 0.52 0.00 0.00 175.17 177.90 1bw9 h THR 606 N 3.20 0.06 -3.58 1.71 1.35 -2.01 -3.41 112.91 110.23 1bw9 h THR 606 Ca -0.26 -0.63 -0.62 0.00 -0.55 0.00 0.00 66.41 64.35 1bw9 h THR 606 Cb 1.15 1.59 -0.12 0.00 -1.73 0.00 0.00 68.15 69.05 1bw9 h THR 606 CO 0.27 0.02 0.39 -0.62 -0.25 0.00 0.00 175.52 175.33 1bw9 s ASP 607 N -5.81 6.49 0.16 5.36 2.15 -1.26 -4.96 116.67 118.80 1bw9 s ASP 607 Ca 0.02 0.14 -0.21 0.00 0.43 0.00 0.00 52.55 52.93 1bw9 s ASP 607 Cb 0.09 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.37 1bw9 s ASP 607 CO 0.57 -0.84 1.63 0.74 -0.17 0.00 0.00 175.17 177.10 1bw9 h THR 608 N 5.88 0.40 -0.58 1.71 2.02 -2.00 -2.00 112.91 118.34 1bw9 h THR 608 Ca -0.25 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.99 1bw9 h THR 608 Cb 1.09 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1bw9 h THR 608 CO 0.94 0.00 0.29 -0.08 0.37 0.00 0.00 175.52 177.05 1bw9 h GLU 609 N -0.19 0.53 -0.27 6.66 4.81 -1.96 0.37 114.58 124.54 1bw9 h GLU 609 Ca 0.17 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1bw9 h GLU 609 Cb 0.44 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1bw9 h GLU 609 CO -0.43 0.35 -0.03 0.00 -0.73 0.00 0.00 179.01 178.17 1bw9 h ARG 610 N 0.55 0.04 -0.59 1.92 3.08 -1.79 0.90 114.38 118.49 1bw9 h ARG 610 Ca 0.26 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1bw9 h ARG 610 Cb 0.19 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1bw9 h ARG 610 CO -0.19 0.03 0.32 0.28 -1.07 0.00 0.00 179.97 179.33 1bw9 h VAL 611 N 0.04 1.19 -0.40 2.04 2.07 -0.74 -1.87 116.25 118.58 1bw9 h VAL 611 Ca 0.13 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1bw9 h VAL 611 Cb 0.18 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1bw9 h VAL 611 CO -0.24 0.21 0.10 0.00 0.02 0.00 0.00 177.57 177.65 1bw9 h ALA 612 N 1.15 1.42 -0.60 1.67 0.00 0.44 -0.45 119.26 122.88 1bw9 h ALA 612 Ca 0.21 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1bw9 h ALA 612 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1bw9 h ALA 612 CO -0.03 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 180.88 1bw9 h HIS 613 N 0.59 1.16 -0.48 0.00 6.17 -0.36 0.39 115.15 122.61 1bw9 h HIS 613 Ca 0.14 -0.20 -0.01 0.00 0.71 0.00 0.00 60.37 61.00 1bw9 h HIS 613 Cb 0.22 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.83 1bw9 h HIS 613 CO 0.01 1.03 0.25 0.00 0.71 0.00 0.00 177.93 179.93 1bw9 h ALA 614 N 0.98 0.62 -0.66 5.26 0.00 -0.74 -0.94 119.26 123.78 1bw9 h ALA 614 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bw9 h ALA 614 Cb 0.57 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1bw9 h ALA 614 CO 0.03 0.16 0.32 0.28 0.00 0.00 0.00 179.25 180.04 1bw9 h VAL 615 N 0.64 1.22 -0.24 0.00 2.07 -0.85 0.34 116.25 119.43 1bw9 h VAL 615 Ca 0.17 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1bw9 h VAL 615 Cb 0.08 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1bw9 h VAL 615 CO -0.02 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.06 1bw9 h ALA 616 N 1.15 1.96 -0.27 1.67 0.00 0.74 0.71 119.26 125.22 1bw9 h ALA 616 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bw9 h ALA 616 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bw9 h ALA 616 CO -0.03 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.14 1bw9 n LEU 617 N -3.96 1.77 0.00 0.00 4.77 0.00 -4.90 117.00 114.69 1bw9 n LEU 617 Ca 0.03 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1bw9 n LEU 617 Cb 0.37 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1bw9 n LEU 617 CO 0.30 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1bw9 n GLY 618 N 1.09 0.18 3.90 -0.72 0.00 0.25 -5.06 105.19 104.82 1bw9 n GLY 618 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1bw9 n GLY 618 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bw9 s HIS 619 N -2.01 3.00 -0.12 1.61 3.76 -0.56 -4.94 115.29 116.04 1bw9 s HIS 619 Ca 0.00 0.74 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 1bw9 s HIS 619 Cb 0.00 -3.37 -0.01 0.00 1.11 0.00 0.00 32.58 30.30 1bw9 s HIS 619 CO 0.00 -1.62 -0.16 0.99 -0.85 0.00 0.00 174.74 173.10 1bw9 s THR 620 N -3.48 2.79 0.48 1.30 2.01 -0.64 -4.06 115.64 114.03 1bw9 s THR 620 Ca 0.61 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.65 1bw9 s THR 620 Cb -0.11 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 70.16 1bw9 s THR 620 CO 0.49 0.53 1.02 0.00 -0.69 0.00 0.00 174.62 175.97 1bw9 s ALA 621 N 0.33 2.90 -0.11 7.40 0.00 -1.26 -0.18 121.76 130.84 1bw9 s ALA 621 Ca -0.13 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1bw9 s ALA 621 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1bw9 s ALA 621 CO 0.06 -0.25 -0.10 0.08 0.00 0.00 0.00 175.76 175.56 1bw9 s VAL 622 N -2.03 1.17 0.52 0.00 1.01 0.52 -4.77 120.40 116.82 1bw9 s VAL 622 Ca 0.66 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 1bw9 s VAL 622 Cb -0.15 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1bw9 s VAL 622 CO 0.19 0.38 1.33 0.00 0.00 0.00 0.00 175.10 177.01 1bw9 s ALA 623 N 1.36 2.89 0.24 5.51 0.00 -1.26 -4.51 121.76 125.99 1bw9 s ALA 623 Ca -0.01 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1bw9 s ALA 623 Cb -0.14 -3.54 0.42 0.00 0.00 0.00 0.00 23.12 19.86 1bw9 s ALA 623 CO -0.05 -1.23 1.71 -0.07 0.00 0.00 0.00 175.76 176.12 1bw9 h LEU 624 N 1.66 0.12 0.00 0.00 3.38 -1.96 0.58 115.31 119.08 1bw9 h LEU 624 Ca -0.51 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1bw9 h LEU 624 Cb 1.29 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1bw9 h LEU 624 CO 0.58 0.03 0.00 -1.84 0.09 0.00 0.00 178.44 177.30 1bw9 n GLU 625 N -5.09 0.43 0.00 1.13 0.00 -1.26 -2.42 120.64 113.44 1bw9 n GLU 625 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1bw9 n GLU 625 Cb 0.40 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.32 1bw9 n GLU 625 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bw9 n ASP 626 N -1.12 0.87 -0.13 -1.84 8.00 0.20 -4.72 116.55 117.80 1bw9 n ASP 626 Ca 0.11 -0.93 -0.07 0.00 0.71 0.00 0.00 54.79 54.61 1bw9 n ASP 626 Cb 0.09 0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1bw9 n ASP 626 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bw9 h VAL 627 N 0.62 0.22 0.00 2.53 2.07 -1.07 -1.75 116.25 118.87 1bw9 h VAL 627 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bw9 h VAL 627 Cb 0.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1bw9 h VAL 627 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1bw9 n LEU 628 N -5.42 0.00 -0.05 2.57 4.77 -1.26 -2.96 117.00 114.65 1bw9 n LEU 628 Ca 0.02 0.22 0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1bw9 n LEU 628 Cb 0.34 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1bw9 n LEU 628 CO 0.06 -0.04 0.32 -1.54 -1.33 0.00 0.00 177.39 174.85 1bw9 n SER 629 N -1.22 1.30 -4.66 -1.43 3.41 -0.80 -4.38 113.62 105.83 1bw9 n SER 629 Ca 0.13 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 1bw9 n SER 629 Cb 0.17 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1bw9 n SER 629 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1bw9 s THR 630 N -0.28 4.81 0.25 6.66 2.01 -0.73 -4.85 115.64 123.51 1bw9 s THR 630 Ca 0.02 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 1bw9 s THR 630 Cb 0.01 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 1bw9 s THR 630 CO 0.02 -0.05 1.49 -2.84 -0.69 0.00 0.00 174.62 172.54 1bw9 s PRO 631 N 2.54 4.23 0.25 4.92 0.02 -1.26 -4.66 135.00 141.04 1bw9 s PRO 631 Ca 0.41 2.37 -0.19 0.00 0.02 0.00 0.00 61.00 63.61 1bw9 s PRO 631 Cb -0.16 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.28 1bw9 s PRO 631 CO 0.11 -0.49 0.63 0.00 -0.33 0.00 0.00 177.00 176.92 1bw9 h ASP 633 N 2.09 0.23 -4.12 0.00 3.32 -0.82 -3.32 116.42 113.80 1bw9 h ASP 633 Ca -0.23 -0.86 -0.60 0.00 0.02 0.00 0.00 57.03 55.36 1bw9 h ASP 633 Cb 1.26 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1bw9 h ASP 633 CO 0.29 1.36 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.63 1bw9 s VAL 634 N -2.37 1.60 -0.21 -1.35 1.01 -0.61 -0.77 120.40 117.69 1bw9 s VAL 634 Ca -0.19 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1bw9 s VAL 634 Cb 0.02 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1bw9 s VAL 634 CO 0.73 0.45 -0.02 0.12 0.00 0.00 0.00 175.10 176.39 1bw9 s PHE 635 N -0.20 2.99 -0.54 5.22 5.36 -0.24 -0.75 117.98 129.83 1bw9 s PHE 635 Ca 0.01 -0.69 0.03 0.00 -0.96 0.00 0.00 56.93 55.32 1bw9 s PHE 635 Cb -0.10 -2.10 0.14 0.00 -0.34 0.00 0.00 43.02 40.61 1bw9 s PHE 635 CO 0.01 -0.40 0.29 0.00 -1.46 0.00 0.00 175.22 173.66 1bw9 s ALA 636 N 1.28 3.36 -0.38 11.12 0.00 0.71 -1.24 121.76 136.62 1bw9 s ALA 636 Ca 0.04 -3.29 -0.29 0.00 0.00 0.00 0.00 51.96 48.42 1bw9 s ALA 636 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1bw9 s ALA 636 CO -0.00 -2.03 1.57 -1.25 0.00 0.00 0.00 175.76 174.05 1bw9 s PRO 637 N -0.30 3.47 -0.13 0.00 0.04 -1.26 -0.91 135.00 135.91 1bw9 s PRO 637 Ca 0.17 1.13 0.15 0.00 0.04 0.00 0.00 61.00 62.49 1bw9 s PRO 637 Cb -0.25 -4.10 0.37 0.00 0.04 0.00 0.00 34.50 30.57 1bw9 s PRO 637 CO -0.01 -1.69 1.18 0.00 0.04 0.00 0.00 177.00 176.52 1bw9 n ALA 639 N -0.71 0.00 -1.91 0.00 0.00 -0.82 -4.56 120.51 112.51 1bw9 n ALA 639 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1bw9 n ALA 639 Cb 0.79 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.29 1bw9 n ALA 639 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw9 s MET 640 N 3.15 2.83 0.91 0.00 0.00 -1.26 -4.64 119.30 120.30 1bw9 s MET 640 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 55.69 55.96 1bw9 s MET 640 Cb 0.00 -2.05 0.20 0.00 0.00 0.00 0.00 34.83 32.98 1bw9 s MET 640 CO 0.00 -1.02 1.25 0.20 0.00 0.00 0.00 175.02 175.45 1bw9 s GLY 641 N -4.36 1.80 -1.58 3.16 0.00 -1.24 -4.47 107.32 100.62 1bw9 s GLY 641 Ca 0.58 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1bw9 s GLY 641 CO 0.51 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.48 1bw9 n GLY 642 N -3.55 1.51 0.22 0.20 0.00 0.35 -4.90 105.19 99.02 1bw9 n GLY 642 Ca 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1bw9 n GLY 642 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bw9 h VAL 643 N 0.00 1.30 -3.16 1.61 2.07 -1.49 -3.38 116.25 113.20 1bw9 h VAL 643 Ca -0.30 -1.54 -0.76 0.00 0.82 0.00 0.00 66.70 64.91 1bw9 h VAL 643 Cb 1.01 1.57 -0.23 0.00 -1.52 0.00 0.00 31.29 32.12 1bw9 h VAL 643 CO 0.45 0.48 0.59 -0.63 0.02 0.00 0.00 177.57 178.47 1bw9 s ILE 644 N -4.24 5.45 0.83 4.57 1.01 -0.40 -4.84 121.20 123.59 1bw9 s ILE 644 Ca -0.07 -2.62 -0.10 0.00 0.00 0.00 0.00 60.65 57.86 1bw9 s ILE 644 Cb 0.13 -4.66 0.14 0.00 0.01 0.00 0.00 42.46 38.08 1bw9 s ILE 644 CO 0.81 -1.28 1.16 0.42 0.00 0.00 0.00 174.94 176.05 1bw9 s THR 645 N 0.48 2.09 0.17 2.92 -4.23 -1.26 -0.55 115.64 115.26 1bw9 s THR 645 Ca 0.29 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.48 1bw9 s THR 645 Cb -0.08 -2.91 0.05 0.00 1.34 0.00 0.00 72.50 70.90 1bw9 s THR 645 CO -0.07 0.00 1.83 0.71 -0.54 0.00 0.00 174.62 176.55 1bw9 h THR 646 N -1.09 1.11 -0.64 3.99 1.35 -1.93 -0.26 112.91 115.44 1bw9 h THR 646 Ca -0.43 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1bw9 h THR 646 Cb 1.27 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1bw9 h THR 646 CO 0.48 0.12 0.26 -0.08 -0.25 0.00 0.00 175.52 176.04 1bw9 h GLU 647 N 0.64 0.94 -0.49 4.72 4.57 -1.99 -0.67 114.58 122.30 1bw9 h GLU 647 Ca 0.18 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1bw9 h GLU 647 Cb -0.05 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 1bw9 h GLU 647 CO -0.05 0.77 0.10 0.28 -1.18 0.00 0.00 179.01 178.93 1bw9 h VAL 648 N 0.92 1.24 -0.29 0.32 2.07 -1.72 -2.68 116.25 116.11 1bw9 h VAL 648 Ca 0.22 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1bw9 h VAL 648 Cb 0.18 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1bw9 h VAL 648 CO -0.02 0.31 0.17 0.00 0.02 0.00 0.00 177.57 178.05 1bw9 h ALA 649 N 0.98 1.75 0.00 1.67 0.00 -0.40 0.18 119.26 123.44 1bw9 h ALA 649 Ca 0.15 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1bw9 h ALA 649 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bw9 h ALA 649 CO 0.01 0.22 -0.39 0.00 0.00 0.00 0.00 179.25 179.09 1bw9 h ARG 650 N 0.40 0.00 0.00 0.00 3.08 -0.83 -3.35 114.38 113.67 1bw9 h ARG 650 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1bw9 h ARG 650 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1bw9 h ARG 650 CO -0.02 0.39 -0.42 0.25 -1.07 0.00 0.00 179.97 179.10 1bw9 n THR 651 N -3.43 0.00 -1.68 2.04 -2.24 -0.66 -5.03 114.28 103.29 1bw9 n THR 651 Ca 0.00 -0.32 -0.44 0.00 -2.27 0.00 0.00 64.05 61.02 1bw9 n THR 651 Cb 0.55 0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 1bw9 n THR 651 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bw9 n LEU 652 N -1.22 3.21 -3.77 3.22 4.77 0.55 -4.87 117.00 118.90 1bw9 n LEU 652 Ca 0.01 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 56.84 1bw9 n LEU 652 Cb 0.11 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 39.69 1bw9 n LEU 652 CO 0.14 -0.52 0.29 -0.67 -1.33 0.00 0.00 177.39 175.29 1bw9 n ASP 653 N 1.66 4.16 -2.87 -1.43 -0.08 -1.26 -5.01 116.55 111.72 1bw9 n ASP 653 Ca 0.09 -3.33 -0.12 0.00 -1.51 0.00 0.00 54.79 49.92 1bw9 n ASP 653 Cb 0.33 -0.87 -0.01 0.00 2.34 0.00 0.00 41.12 42.91 1bw9 n ASP 653 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw9 n SER 655 N -1.59 0.11 -3.85 0.00 3.41 0.05 -4.76 113.62 107.00 1bw9 n SER 655 Ca -0.03 -0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 57.95 1bw9 n SER 655 Cb 0.57 1.00 -0.12 0.00 -0.26 0.00 0.00 64.21 65.40 1bw9 n SER 655 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bw9 s VAL 656 N -1.11 0.02 -0.17 -3.33 1.01 -0.75 -0.55 120.40 115.53 1bw9 s VAL 656 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1bw9 s VAL 656 Cb 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1bw9 s VAL 656 CO 0.04 -0.10 -0.17 -0.69 0.00 0.00 0.00 175.10 174.18 1bw9 s VAL 657 N -0.31 1.82 -0.26 2.92 1.01 -0.47 -1.08 120.40 124.04 1bw9 s VAL 657 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1bw9 s VAL 657 Cb -0.03 -1.69 0.15 0.00 0.00 0.00 0.00 36.38 34.81 1bw9 s VAL 657 CO 0.00 0.47 0.46 0.00 0.00 0.00 0.00 175.10 176.03 1bw9 s ALA 658 N 1.38 -1.52 0.06 5.51 0.00 -0.37 -0.77 121.76 126.05 1bw9 s ALA 658 Ca 0.04 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1bw9 s ALA 658 Cb -0.13 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1bw9 s ALA 658 CO -0.11 -1.26 0.09 0.41 0.00 0.00 0.00 175.76 174.89 1bw9 n GLY 659 N 5.39 2.82 0.06 0.00 0.00 -1.26 -4.15 105.19 108.06 1bw9 n GLY 659 Ca -0.03 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.73 1bw9 n GLY 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 n ALA 660 N -2.59 2.82 -1.65 4.61 0.00 -0.57 -4.45 120.51 118.68 1bw9 n ALA 660 Ca -0.02 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.66 1bw9 n ALA 660 Cb 0.10 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.63 1bw9 n ALA 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw9 n ALA 661 N -2.12 0.61 -2.18 0.00 0.00 0.24 -4.79 120.51 112.27 1bw9 n ALA 661 Ca -0.01 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1bw9 n ALA 661 Cb 0.53 -2.17 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 1bw9 n ALA 661 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw9 s ASN 662 N -0.95 7.02 -1.30 0.00 0.01 -1.26 -4.29 114.94 114.17 1bw9 s ASN 662 Ca 0.70 1.33 -0.05 0.00 -0.71 0.00 0.00 52.86 54.12 1bw9 s ASN 662 Cb -0.46 -2.38 -0.00 0.00 0.41 0.00 0.00 41.25 38.81 1bw9 s ASN 662 CO 0.52 0.09 0.62 0.59 -1.51 0.00 0.00 177.10 177.40 1bw9 n ASN 663 N 0.92 -1.94 -0.28 -1.22 3.02 -1.26 -3.70 115.26 110.80 1bw9 n ASN 663 Ca -0.04 -0.94 -0.05 0.00 -0.03 0.00 0.00 54.58 53.52 1bw9 n ASN 663 Cb 0.51 -3.54 0.06 0.00 -0.61 0.00 0.00 39.78 36.20 1bw9 n ASN 663 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1bw9 h VAL 664 N -1.84 1.22 -3.34 2.41 2.07 -1.91 1.01 116.25 115.87 1bw9 h VAL 664 Ca -0.63 -0.50 -0.57 0.00 0.82 0.00 0.00 66.70 65.82 1bw9 h VAL 664 Cb 1.36 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1bw9 h VAL 664 CO 0.56 0.23 0.29 -0.63 0.02 0.00 0.00 177.57 178.05 1bw9 s ILE 665 N -5.93 4.93 0.20 4.57 -1.09 -1.26 -1.28 121.20 121.34 1bw9 s ILE 665 Ca -0.13 1.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.94 1bw9 s ILE 665 Cb 0.15 -4.13 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1bw9 s ILE 665 CO 0.80 0.11 1.48 0.00 -1.23 0.00 0.00 174.94 176.10 1bw9 h ALA 666 N 7.10 0.71 -2.97 9.38 0.00 -1.07 -3.43 119.26 128.96 1bw9 h ALA 666 Ca -0.34 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 53.98 1bw9 h ALA 666 Cb 1.16 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1bw9 h ALA 666 CO 0.80 0.79 0.23 0.16 0.00 0.00 0.00 179.25 181.23 1bw9 s ASP 667 N -6.92 -0.42 0.40 0.00 1.47 -1.26 -5.03 116.67 104.91 1bw9 s ASP 667 Ca -0.04 -0.28 0.08 0.00 1.18 0.00 0.00 52.55 53.49 1bw9 s ASP 667 Cb 0.11 0.65 0.86 0.00 -0.34 0.00 0.00 42.92 44.20 1bw9 s ASP 667 CO 0.81 -1.13 2.01 -0.08 0.68 0.00 0.00 175.17 177.46 1bw9 h GLU 668 N 2.00 0.57 -0.91 2.11 4.81 -1.97 -2.18 114.58 119.01 1bw9 h GLU 668 Ca -0.27 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1bw9 h GLU 668 Cb 1.28 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1bw9 h GLU 668 CO 0.31 0.38 0.57 0.00 -0.73 0.00 0.00 179.01 179.53 1bw9 h ALA 669 N 1.69 1.28 -0.30 2.92 0.00 -1.99 -1.59 119.26 121.27 1bw9 h ALA 669 Ca 0.23 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1bw9 h ALA 669 Cb 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1bw9 h ALA 669 CO -0.06 0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.52 1bw9 h ALA 670 N 1.44 0.30 -0.71 0.00 0.00 -1.71 -1.35 119.26 117.23 1bw9 h ALA 670 Ca 0.41 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.44 1bw9 h ALA 670 Cb 0.24 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1bw9 h ALA 670 CO -0.20 -0.37 0.42 1.03 0.00 0.00 0.00 179.25 180.14 1bw9 h SER 671 N 0.15 0.65 -0.65 0.00 0.87 -1.25 -1.58 113.55 111.73 1bw9 h SER 671 Ca 0.14 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1bw9 h SER 671 Cb 0.16 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1bw9 h SER 671 CO -0.20 0.42 0.24 0.44 -0.53 0.00 0.00 176.83 177.21 1bw9 h ASP 672 N 0.78 0.92 -0.17 6.23 3.32 -0.89 -2.35 116.42 124.26 1bw9 h ASP 672 Ca 0.31 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1bw9 h ASP 672 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1bw9 h ASP 672 CO -0.16 0.85 0.11 0.40 -1.72 0.00 0.00 179.24 178.72 1bw9 h ILE 673 N 0.93 1.04 -0.17 0.35 2.04 -0.69 0.19 117.51 121.20 1bw9 h ILE 673 Ca 0.22 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1bw9 h ILE 673 Cb 0.23 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1bw9 h ILE 673 CO -0.01 0.04 -0.23 -0.07 0.00 0.00 0.00 178.15 177.88 1bw9 h LEU 674 N 0.23 -0.71 -0.26 1.44 3.38 -1.21 0.64 115.31 118.80 1bw9 h LEU 674 Ca 0.06 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1bw9 h LEU 674 Cb -0.02 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1bw9 h LEU 674 CO -0.02 -0.27 -0.12 -0.74 0.09 0.00 0.00 178.44 177.37 1bw9 h HIS 675 N -0.27 -0.30 -0.73 1.13 2.76 -1.10 -1.20 115.15 115.44 1bw9 h HIS 675 Ca 0.11 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1bw9 h HIS 675 Cb 0.44 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 1bw9 h HIS 675 CO -0.35 -0.19 0.48 0.00 -1.30 0.00 0.00 177.93 176.57 1bw9 h ALA 676 N 1.13 1.48 0.00 5.26 0.00 0.37 -1.97 119.26 125.54 1bw9 h ALA 676 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bw9 h ALA 676 Cb 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bw9 h ALA 676 CO -0.32 0.48 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1bw9 n ARG 677 N -4.43 0.91 -1.39 0.00 1.74 0.21 -4.89 116.66 108.81 1bw9 n ARG 677 Ca 0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1bw9 n ARG 677 Cb 0.04 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.96 1bw9 n ARG 677 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bw9 n GLY 678 N 0.91 0.54 3.48 -0.13 0.00 -0.74 -5.01 105.19 104.24 1bw9 n GLY 678 Ca 0.22 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1bw9 n GLY 678 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bw9 s ILE 679 N -2.16 5.11 -0.27 -0.61 1.01 -0.60 -4.82 121.20 118.86 1bw9 s ILE 679 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 1bw9 s ILE 679 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1bw9 s ILE 679 CO 0.00 -0.13 0.93 -0.22 0.00 0.00 0.00 174.94 175.52 1bw9 s LEU 680 N 1.67 4.06 -0.17 2.97 2.96 0.29 -4.14 118.68 126.32 1bw9 s LEU 680 Ca 0.05 1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.95 1bw9 s LEU 680 Cb -0.18 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1bw9 s LEU 680 CO 0.09 -0.65 0.10 -0.47 -1.32 0.00 0.00 176.35 174.10 1bw9 s TYR 681 N 3.13 3.37 -0.41 5.38 5.04 -1.26 -1.36 117.35 131.23 1bw9 s TYR 681 Ca 0.39 0.26 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 1bw9 s TYR 681 Cb -0.14 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.12 1bw9 s TYR 681 CO 0.09 0.33 0.65 0.00 -1.34 0.00 0.00 175.55 175.29 1bw9 s ALA 682 N 0.02 3.38 0.02 3.97 0.00 0.05 -4.76 121.76 124.43 1bw9 s ALA 682 Ca 0.08 -1.07 -0.36 0.00 0.00 0.00 0.00 51.96 50.60 1bw9 s ALA 682 Cb -0.12 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 1bw9 s ALA 682 CO 0.00 -1.65 1.55 -2.30 0.00 0.00 0.00 175.76 173.36 1bw9 n PRO 683 N 6.24 1.58 -0.24 0.00 -0.02 -1.26 -4.70 135.00 136.60 1bw9 n PRO 683 Ca -0.01 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1bw9 n PRO 683 Cb 0.48 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1bw9 n PRO 683 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bw9 h ASP 684 N 6.06 -1.04 0.13 2.55 3.04 -1.89 0.17 116.42 125.43 1bw9 h ASP 684 Ca -0.47 0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 1bw9 h ASP 684 Cb 1.30 0.56 0.00 0.00 -1.04 0.00 0.00 39.33 40.15 1bw9 h ASP 684 CO 0.86 -0.29 0.00 2.19 -2.04 0.00 0.00 179.24 179.97 1bw9 h PHE 685 N -0.10 0.00 0.00 4.15 -5.15 -1.89 0.13 116.94 114.08 1bw9 h PHE 685 Ca 0.28 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.83 1bw9 h PHE 685 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.69 1bw9 h PHE 685 CO -0.65 0.00 -1.40 0.28 -2.00 0.00 0.00 178.31 174.54 1bw9 n VAL 686 N -2.63 1.51 -0.05 0.88 0.31 0.01 -4.28 118.33 114.08 1bw9 n VAL 686 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1bw9 n VAL 686 Cb 0.08 -2.10 0.30 0.00 -0.91 0.00 0.00 33.84 31.21 1bw9 n VAL 686 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bw9 h ALA 687 N -0.76 1.43 -0.71 3.52 0.00 -0.22 -3.02 119.26 119.49 1bw9 h ALA 687 Ca -0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bw9 h ALA 687 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bw9 h ALA 687 CO -0.20 0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.74 1bw9 n ASN 688 N -4.34 3.84 0.03 0.00 0.23 0.39 -2.76 115.26 112.65 1bw9 n ASN 688 Ca 0.03 -2.01 0.03 0.00 -0.53 0.00 0.00 54.58 52.09 1bw9 n ASN 688 Cb 0.18 -0.48 0.13 0.00 -2.08 0.00 0.00 39.78 37.52 1bw9 n ASN 688 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bw9 n ALA 689 N 1.58 1.09 -0.19 -2.53 0.00 -1.14 -3.44 120.51 115.86 1bw9 n ALA 689 Ca 0.24 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.81 1bw9 n ALA 689 Cb 0.61 -1.08 0.41 0.00 0.00 0.00 0.00 19.45 19.39 1bw9 n ALA 689 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bw9 h GLY 690 N 0.29 0.93 0.95 0.00 0.00 -1.80 0.95 103.07 104.40 1bw9 h GLY 690 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1bw9 h GLY 690 CO 0.00 0.13 0.04 -1.33 0.00 0.00 0.00 176.54 175.39 1bw9 h GLY 691 N 0.62 0.11 1.02 4.60 0.00 -1.78 -0.34 103.07 107.31 1bw9 h GLY 691 Ca 0.36 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 1bw9 h GLY 691 CO -0.13 0.04 0.07 0.00 0.00 0.00 0.00 176.54 176.52 1bw9 h ALA 692 N 0.98 0.75 -0.91 3.60 0.00 -1.60 -1.69 119.26 120.38 1bw9 h ALA 692 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1bw9 h ALA 692 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1bw9 h ALA 692 CO -0.00 0.51 0.54 0.82 0.00 0.00 0.00 179.25 181.12 1bw9 h ILE 693 N 0.83 1.25 0.45 0.00 2.04 -0.66 0.04 117.51 121.46 1bw9 h ILE 693 Ca 0.17 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1bw9 h ILE 693 Cb 0.44 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1bw9 h ILE 693 CO 0.01 0.27 -0.21 -0.74 0.00 0.00 0.00 178.15 177.48 1bw9 h HIS 694 N 1.26 -0.56 0.10 1.37 2.76 -0.66 0.29 115.15 119.71 1bw9 h HIS 694 Ca 0.33 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1bw9 h HIS 694 Cb -0.04 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1bw9 h HIS 694 CO 0.01 -0.31 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.21 1bw9 h LEU 695 N -0.67 -0.12 -0.14 0.26 3.38 -1.22 0.39 115.31 117.19 1bw9 h LEU 695 Ca -0.06 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1bw9 h LEU 695 Cb 0.50 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1bw9 h LEU 695 CO 0.10 0.27 -0.04 0.58 0.09 0.00 0.00 178.44 179.45 1bw9 h VAL 696 N -0.53 1.29 -0.26 1.22 2.07 -1.08 0.98 116.25 119.95 1bw9 h VAL 696 Ca -0.01 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1bw9 h VAL 696 Cb 0.43 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 1bw9 h VAL 696 CO 0.02 0.29 -0.03 1.23 0.02 0.00 0.00 177.57 179.11 1bw9 h GLY 697 N -0.04 0.23 0.36 2.17 0.00 -0.46 0.13 103.07 105.46 1bw9 h GLY 697 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1bw9 h GLY 697 CO 0.01 -0.07 -0.02 3.21 0.00 0.00 0.00 176.54 179.67 1bw9 h ARG 698 N 0.05 -0.05 0.00 4.80 3.08 -0.93 0.29 114.38 121.62 1bw9 h ARG 698 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1bw9 h ARG 698 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1bw9 h ARG 698 CO -0.24 0.54 -0.89 0.93 -1.07 0.00 0.00 179.97 179.25 1bw9 h GLU 699 N -0.69 0.00 0.00 0.04 5.08 -0.79 -2.67 114.58 115.56 1bw9 h GLU 699 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1bw9 h GLU 699 Cb 0.61 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1bw9 h GLU 699 CO 0.01 0.54 -2.28 0.28 -1.00 0.00 0.00 179.01 176.56 1bw9 n VAL 700 N -3.15 1.29 0.93 3.13 0.31 0.37 -4.64 118.33 116.56 1bw9 n VAL 700 Ca -0.02 -0.52 0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1bw9 n VAL 700 Cb 0.82 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 1bw9 n VAL 700 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bw9 n LEU 701 N -3.11 1.66 -1.07 7.52 4.77 -0.75 -4.98 117.00 121.03 1bw9 n LEU 701 Ca -0.39 -0.69 -0.12 0.00 -0.03 0.00 0.00 56.01 54.78 1bw9 n LEU 701 Cb 0.94 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.99 1bw9 n LEU 701 CO 0.24 0.33 -0.13 0.61 -1.33 0.00 0.00 177.39 177.11 1bw9 n GLY 702 N 1.39 1.00 3.77 -0.72 0.00 -0.62 -4.95 105.19 105.05 1bw9 n GLY 702 Ca 0.07 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1bw9 n GLY 702 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bw9 s TRP 703 N -2.50 2.97 0.86 1.61 0.51 0.92 -4.93 118.94 118.39 1bw9 s TRP 703 Ca 0.00 1.49 -0.12 0.00 -2.12 0.00 0.00 56.10 55.35 1bw9 s TRP 703 Cb 0.00 -3.52 0.11 0.00 -0.81 0.00 0.00 33.47 29.25 1bw9 s TRP 703 CO 0.00 -1.66 1.14 -1.54 -0.51 0.00 0.00 176.95 174.39 1bw9 s SER 704 N -0.94 3.95 0.21 2.95 1.04 -1.26 -4.20 113.70 115.46 1bw9 s SER 704 Ca 0.56 0.95 -0.09 0.00 0.48 0.00 0.00 55.95 57.85 1bw9 s SER 704 Cb -0.34 -1.53 0.20 0.00 0.10 0.00 0.00 66.02 64.45 1bw9 s SER 704 CO 0.44 -2.27 1.85 -0.33 0.98 0.00 0.00 173.24 173.90 1bw9 h GLU 705 N -1.31 0.86 -0.64 4.02 5.08 -2.00 -1.51 114.58 119.09 1bw9 h GLU 705 Ca -0.49 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1bw9 h GLU 705 Cb 1.32 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1bw9 h GLU 705 CO 0.63 0.57 0.40 0.77 -1.00 0.00 0.00 179.01 180.37 1bw9 h SER 706 N 0.89 0.65 -0.17 1.42 0.02 -1.99 -0.59 113.55 113.78 1bw9 h SER 706 Ca 0.29 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1bw9 h SER 706 Cb 0.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1bw9 h SER 706 CO -0.11 0.45 0.03 0.58 -1.14 0.00 0.00 176.83 176.64 1bw9 h VAL 707 N 0.78 1.22 -0.71 2.27 2.07 -1.80 -1.00 116.25 119.08 1bw9 h VAL 707 Ca 0.25 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bw9 h VAL 707 Cb 0.01 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1bw9 h VAL 707 CO -0.10 0.22 0.47 0.58 0.02 0.00 0.00 177.57 178.76 1bw9 h VAL 708 N 0.06 1.08 -0.36 2.57 2.07 -1.08 0.81 116.25 121.40 1bw9 h VAL 708 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1bw9 h VAL 708 Cb 0.31 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bw9 h VAL 708 CO 0.00 0.15 0.14 0.45 0.02 0.00 0.00 177.57 178.34 1bw9 h HIS 709 N 0.83 0.55 -0.47 1.57 3.86 -0.72 0.31 115.15 121.08 1bw9 h HIS 709 Ca 0.29 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1bw9 h HIS 709 Cb 0.11 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 1bw9 h HIS 709 CO -0.00 0.51 0.13 1.49 0.86 0.00 0.00 177.93 180.92 1bw9 h GLU 710 N 0.44 0.27 -0.55 2.45 4.81 -0.19 0.17 114.58 121.97 1bw9 h GLU 710 Ca 0.12 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1bw9 h GLU 710 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1bw9 h GLU 710 CO -0.01 0.18 -0.06 0.00 -0.73 0.00 0.00 179.01 178.39 1bw9 h ARG 711 N 0.28 0.99 -0.50 1.92 2.47 -0.64 -0.74 114.38 118.16 1bw9 h ARG 711 Ca 0.23 -0.33 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 1bw9 h ARG 711 Cb 0.28 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1bw9 h ARG 711 CO -0.28 1.01 0.20 0.00 0.56 0.00 0.00 179.97 181.46 1bw9 h ALA 712 N 1.02 1.41 -0.55 0.04 0.00 0.81 -1.06 119.26 120.94 1bw9 h ALA 712 Ca 0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1bw9 h ALA 712 Cb 0.61 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bw9 h ALA 712 CO 0.04 0.45 0.15 0.28 0.00 0.00 0.00 179.25 180.16 1bw9 h VAL 713 N 0.71 1.22 0.00 0.00 2.07 0.21 -1.64 116.25 118.82 1bw9 h VAL 713 Ca 0.17 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1bw9 h VAL 713 Cb 0.14 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1bw9 h VAL 713 CO -0.02 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1bw9 n ALA 714 N -2.46 1.35 0.13 1.67 0.00 -0.37 -1.45 120.51 119.38 1bw9 n ALA 714 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1bw9 n ALA 714 Cb 0.21 -1.07 0.59 0.00 0.00 0.00 0.00 19.45 19.18 1bw9 n ALA 714 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1bw9 h ILE 715 N 0.00 0.97 -0.45 0.00 2.04 -1.27 -0.93 117.51 117.87 1bw9 h ILE 715 Ca 0.00 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1bw9 h ILE 715 Cb 0.05 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1bw9 h ILE 715 CO 0.00 0.03 0.28 1.23 0.00 0.00 0.00 178.15 179.69 1bw9 h GLY 716 N 0.15 0.63 0.98 5.37 0.00 -1.46 -0.13 103.07 108.62 1bw9 h GLY 716 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1bw9 h GLY 716 CO -0.02 0.19 0.29 -1.80 0.00 0.00 0.00 176.54 175.21 1bw9 h ASP 717 N 0.56 0.64 -0.65 0.19 3.58 -1.42 0.62 116.42 119.94 1bw9 h ASP 717 Ca 0.18 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.59 1bw9 h ASP 717 Cb -0.01 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 1bw9 h ASP 717 CO -0.07 0.54 0.38 0.74 -2.88 0.00 0.00 179.24 177.95 1bw9 h THR 718 N 0.69 1.02 -0.82 2.25 2.02 -0.63 -0.13 112.91 117.32 1bw9 h THR 718 Ca 0.18 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1bw9 h THR 718 Cb 0.03 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 1bw9 h THR 718 CO -0.03 0.13 0.40 -0.07 0.37 0.00 0.00 175.52 176.33 1bw9 h LEU 719 N 0.73 1.05 -1.23 2.58 3.38 -0.65 0.12 115.31 121.29 1bw9 h LEU 719 Ca 0.28 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1bw9 h LEU 719 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1bw9 h LEU 719 CO -0.14 0.88 0.53 0.78 0.09 0.00 0.00 178.44 180.57 1bw9 h ASN 720 N 1.16 0.88 -0.34 -0.43 -0.26 0.27 0.55 115.58 117.40 1bw9 h ASN 720 Ca 0.28 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.92 1bw9 h ASN 720 Cb 0.09 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1bw9 h ASN 720 CO -0.04 0.61 -0.10 1.56 -1.06 0.00 0.00 177.43 178.41 1bw9 h GLN 721 N 1.02 0.77 -0.12 0.81 4.20 -0.01 -0.72 115.11 121.06 1bw9 h GLN 721 Ca 0.31 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1bw9 h GLN 721 Cb -0.02 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1bw9 h GLN 721 CO -0.08 0.84 0.03 0.28 -0.67 0.00 0.00 178.83 179.23 1bw9 h VAL 722 N 0.70 1.19 -0.97 -0.54 2.07 0.14 -2.62 116.25 116.21 1bw9 h VAL 722 Ca 0.12 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1bw9 h VAL 722 Cb 0.57 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1bw9 h VAL 722 CO 0.04 0.17 0.64 -0.26 0.02 0.00 0.00 177.57 178.18 1bw9 h PHE 723 N -0.01 1.20 -0.43 1.57 0.04 0.22 -1.26 116.94 118.27 1bw9 h PHE 723 Ca 0.04 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1bw9 h PHE 723 Cb 0.24 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1bw9 h PHE 723 CO 0.00 0.73 0.22 1.49 -0.60 0.00 0.00 178.31 180.16 1bw9 h GLU 724 N 1.27 0.44 -0.66 1.51 4.81 -0.93 -0.61 114.58 120.41 1bw9 h GLU 724 Ca 0.37 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1bw9 h GLU 724 Cb -0.08 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1bw9 h GLU 724 CO -0.10 0.29 0.24 0.82 -0.73 0.00 0.00 179.01 179.53 1bw9 h ILE 725 N 0.45 1.24 -0.33 2.32 2.04 -1.08 0.19 117.51 122.34 1bw9 h ILE 725 Ca 0.18 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1bw9 h ILE 725 Cb 0.07 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1bw9 h ILE 725 CO -0.12 0.31 0.12 -1.28 0.00 0.00 0.00 178.15 177.18 1bw9 h SER 726 N 0.93 0.14 -0.26 1.72 0.87 -0.73 0.22 113.55 116.45 1bw9 h SER 726 Ca 0.22 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1bw9 h SER 726 Cb 0.24 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1bw9 h SER 726 CO -0.01 0.12 0.01 0.44 -0.53 0.00 0.00 176.83 176.86 1bw9 h ASP 727 N 0.27 0.45 0.14 6.23 3.32 -0.87 0.53 116.42 126.48 1bw9 h ASP 727 Ca 0.15 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1bw9 h ASP 727 Cb 0.11 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1bw9 h ASP 727 CO -0.14 0.63 -0.07 0.78 -1.72 0.00 0.00 179.24 178.72 1bw9 h ASN 728 N 0.25 -0.16 0.29 6.45 2.35 -0.31 -3.25 115.58 121.20 1bw9 h ASN 728 Ca 0.08 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1bw9 h ASN 728 Cb 0.40 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1bw9 h ASN 728 CO 0.01 0.17 -0.18 0.47 -1.65 0.00 0.00 177.43 176.25 1bw9 n ASP 729 N -5.03 0.78 -3.33 5.81 8.00 0.75 -4.95 116.55 118.58 1bw9 n ASP 729 Ca -0.09 -0.76 -0.16 0.00 0.71 0.00 0.00 54.79 54.49 1bw9 n ASP 729 Cb 0.21 0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.43 1bw9 n ASP 729 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bw9 n GLY 730 N 1.31 -0.38 3.42 0.44 0.00 0.13 -5.03 105.19 105.08 1bw9 n GLY 730 Ca 0.13 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1bw9 n GLY 730 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bw9 s VAL 731 N -3.35 1.53 0.83 1.61 -7.23 -0.92 -5.05 120.40 107.81 1bw9 s VAL 731 Ca 0.03 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1bw9 s VAL 731 Cb -0.00 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.55 1bw9 s VAL 731 CO 0.70 -0.27 1.10 0.42 -0.31 0.00 0.00 175.10 176.74 1bw9 s THR 732 N -3.08 2.97 0.28 5.32 -4.23 -1.26 -4.57 115.64 111.07 1bw9 s THR 732 Ca 0.30 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1bw9 s THR 732 Cb 0.05 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.45 1bw9 s THR 732 CO 0.12 -0.41 1.90 -0.65 -0.54 0.00 0.00 174.62 175.04 1bw9 h PRO 733 N -1.36 1.11 -0.42 3.99 0.11 -1.92 0.95 132.00 134.46 1bw9 h PRO 733 Ca -0.45 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1bw9 h PRO 733 Cb 1.25 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1bw9 h PRO 733 CO 0.50 0.73 0.22 0.22 -0.21 0.00 0.00 178.00 179.46 1bw9 h ASP 734 N 1.14 0.54 -0.34 -2.05 1.82 -1.91 0.14 116.42 115.76 1bw9 h ASP 734 Ca 0.40 -0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1bw9 h ASP 734 Cb 0.13 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 1bw9 h ASP 734 CO -0.15 0.49 0.21 -0.33 -1.61 0.00 0.00 179.24 177.86 1bw9 h GLU 735 N 0.54 0.42 -0.80 0.28 4.39 -1.72 -0.71 114.58 116.98 1bw9 h GLU 735 Ca 0.15 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1bw9 h GLU 735 Cb 0.09 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1bw9 h GLU 735 CO -0.02 0.28 0.52 0.00 -1.16 0.00 0.00 179.01 178.63 1bw9 h ALA 736 N 1.14 1.04 -0.42 3.43 0.00 -0.39 0.13 119.26 124.19 1bw9 h ALA 736 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1bw9 h ALA 736 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1bw9 h ALA 736 CO -0.04 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 1bw9 h ALA 737 N 1.32 1.14 -0.58 0.00 0.00 -0.31 0.52 119.26 121.35 1bw9 h ALA 737 Ca 0.31 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1bw9 h ALA 737 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1bw9 h ALA 737 CO -0.09 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.66 1bw9 h ARG 738 N 0.66 1.06 -0.44 0.00 3.08 -0.32 0.08 114.38 118.49 1bw9 h ARG 738 Ca 0.13 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1bw9 h ARG 738 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1bw9 h ARG 738 CO 0.02 1.06 0.22 1.15 -1.07 0.00 0.00 179.97 181.35 1bw9 h THR 739 N 0.96 1.18 -0.75 2.04 2.02 -0.12 -1.32 112.91 116.91 1bw9 h THR 739 Ca 0.16 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1bw9 h THR 739 Cb 0.61 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1bw9 h THR 739 CO 0.04 0.19 0.26 0.25 0.37 0.00 0.00 175.52 176.63 1bw9 h LEU 740 N 0.57 1.06 -0.03 2.58 5.85 -0.63 -1.22 115.31 123.51 1bw9 h LEU 740 Ca 0.15 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1bw9 h LEU 740 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1bw9 h LEU 740 CO -0.02 0.97 -0.10 0.00 -0.34 0.00 0.00 178.44 178.94 1bw9 h ALA 741 N 1.18 -0.09 -0.57 1.25 0.00 -0.57 1.00 119.26 121.45 1bw9 h ALA 741 Ca 0.25 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1bw9 h ALA 741 Cb 0.26 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1bw9 h ALA 741 CO -0.01 -0.59 0.36 0.78 0.00 0.00 0.00 179.25 179.79 1bw9 h GLY 742 N -0.17 0.81 0.97 0.00 0.00 -0.87 0.10 103.07 103.92 1bw9 h GLY 742 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1bw9 h GLY 742 CO -0.13 0.24 0.08 3.21 0.00 0.00 0.00 176.54 179.95 1bw9 h ARG 743 N 0.71 0.18 -0.11 4.80 3.08 -0.83 -1.11 114.38 121.10 1bw9 h ARG 743 Ca 0.22 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1bw9 h ARG 743 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1bw9 h ARG 743 CO -0.08 0.16 -0.14 0.00 -1.07 0.00 0.00 179.97 178.84 1bw9 h ARG 744 N 0.15 0.18 -0.01 0.04 3.08 -0.53 -0.44 114.38 116.86 1bw9 h ARG 744 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1bw9 h ARG 744 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bw9 h ARG 744 CO -0.01 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 1bw9 n ALA 745 N -2.49 2.64 -3.67 0.04 0.00 -0.00 -4.91 120.51 112.11 1bw9 n ALA 745 Ca -0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 1bw9 n ALA 745 Cb 0.26 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.40 1bw9 n ALA 745 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw9 n ARG 746 N -0.57 -7.25 0.00 0.00 1.74 -0.17 -5.04 116.66 105.36 1bw9 n ARG 746 Ca 0.21 0.77 0.05 0.00 -0.77 0.00 0.00 57.85 58.11 1bw9 n ARG 746 Cb 0.19 -5.78 0.31 0.00 -1.02 0.00 0.00 32.46 26.16 1bw9 n ARG 746 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50