#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9w s ASN 386 N 0.00 7.46 -0.06 1.61 0.01 -1.13 -4.80 114.94 118.04 1f9w s ASN 386 Ca 0.00 1.82 0.02 0.00 -0.71 0.00 0.00 52.86 53.99 1f9w s ASN 386 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1f9w s ASN 386 CO 0.00 0.09 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.94 1f9w s ILE 387 N -1.34 3.41 0.03 0.60 1.01 -1.26 -2.32 121.20 121.33 1f9w s ILE 387 Ca 0.43 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1f9w s ILE 387 Cb -0.22 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1f9w s ILE 387 CO 0.27 0.59 -0.07 -0.13 0.00 0.00 0.00 174.94 175.61 1f9w s ARG 388 N -0.80 0.47 -0.05 2.79 3.00 -0.93 -5.01 118.95 118.42 1f9w s ARG 388 Ca 0.12 -0.66 0.01 0.00 0.00 0.00 0.00 55.73 55.20 1f9w s ARG 388 Cb -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 34.95 34.63 1f9w s ARG 388 CO 0.01 0.04 -0.05 0.08 0.00 0.00 0.00 175.30 175.38 1f9w s VAL 389 N -1.23 0.61 0.04 3.52 1.01 -1.26 -0.84 120.40 122.25 1f9w s VAL 389 Ca -0.10 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1f9w s VAL 389 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1f9w s VAL 389 CO 0.00 0.25 -0.23 -0.31 0.00 0.00 0.00 175.10 174.81 1f9w s TYR 390 N 1.09 2.03 0.57 5.22 2.02 0.54 0.33 117.35 129.16 1f9w s TYR 390 Ca -0.08 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1f9w s TYR 390 Cb -0.14 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1f9w s TYR 390 CO -0.01 0.10 0.82 0.00 -1.57 0.00 0.00 175.55 174.90 1f9w s ARG 392 N -4.86 0.57 0.53 0.00 6.06 0.09 -2.61 118.95 118.73 1f9w s ARG 392 Ca 0.56 0.37 -0.12 0.00 -2.50 0.00 0.00 55.73 54.03 1f9w s ARG 392 Cb -0.10 0.21 -0.06 0.00 0.06 0.00 0.00 34.95 35.06 1f9w s ARG 392 CO 0.41 -1.00 0.94 0.42 -2.50 0.00 0.00 175.30 173.56 1f9w s ILE 393 N 2.65 4.69 0.20 4.11 1.09 0.26 -1.04 121.20 133.16 1f9w s ILE 393 Ca 0.12 0.85 0.05 0.00 -1.10 0.00 0.00 60.65 60.57 1f9w s ILE 393 Cb -0.08 -3.80 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 1f9w s ILE 393 CO -0.22 -0.85 -0.06 0.00 -0.10 0.00 0.00 174.94 173.71 1f9w s ARG 394 N -4.53 1.26 0.41 2.79 3.03 -1.14 -3.33 118.95 117.43 1f9w s ARG 394 Ca 0.55 -1.60 -0.24 0.00 2.03 0.00 0.00 55.73 56.47 1f9w s ARG 394 Cb -0.10 -0.72 -0.09 0.00 -1.03 0.00 0.00 34.95 33.01 1f9w s ARG 394 CO 0.41 0.01 1.08 -1.25 -1.13 0.00 0.00 175.30 174.42 1f9w s PRO 395 N -3.79 4.10 1.13 3.89 0.04 -1.26 -4.09 135.00 135.02 1f9w s PRO 395 Ca 0.24 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1f9w s PRO 395 Cb 0.04 -2.55 0.24 0.00 0.04 0.00 0.00 34.50 32.27 1f9w s PRO 395 CO 0.06 -0.22 0.54 0.00 0.04 0.00 0.00 177.00 177.42 1f9w n ALA 396 N -0.09 -1.63 -4.26 8.56 0.00 -1.26 -4.96 120.51 116.87 1f9w n ALA 396 Ca 0.05 -1.27 -0.23 0.00 0.00 0.00 0.00 53.44 51.99 1f9w n ALA 396 Cb 0.49 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 1f9w n ALA 396 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f9w n LEU 397 N -2.61 0.00 0.10 0.00 4.77 -1.26 -5.08 117.00 112.92 1f9w n LEU 397 Ca 0.09 -3.19 0.10 0.00 -0.03 0.00 0.00 56.01 52.98 1f9w n LEU 397 Cb 0.39 1.70 -0.01 0.00 -2.33 0.00 0.00 43.42 43.18 1f9w n LEU 397 CO 0.26 -0.53 0.01 0.07 -1.33 0.00 0.00 177.39 175.87 1f9w h LYS 398 N 0.00 0.00 -0.05 3.23 5.09 -2.01 -3.38 116.57 119.46 1f9w h LYS 398 Ca -0.24 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.43 1f9w h LYS 398 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1f9w h LYS 398 CO 0.34 0.04 -0.25 -0.91 -2.09 0.00 0.00 179.45 176.59 1f9w h ASN 399 N 0.00 0.30 0.00 7.07 4.21 -2.04 -3.48 115.58 121.64 1f9w h ASN 399 Ca -0.02 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.83 1f9w h ASN 399 Cb 1.08 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 1f9w h ASN 399 CO 0.01 0.91 0.00 0.18 -1.29 0.00 0.00 177.43 177.24 1f9w n LEU 400 N -4.51 0.00 -0.16 1.61 4.77 -1.26 -5.31 117.00 112.15 1f9w n LEU 400 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1f9w n LEU 400 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1f9w n LEU 400 CO 0.40 0.00 -0.05 -0.62 -1.33 0.00 0.00 177.39 175.79 1f9w n GLU 401 N 0.00 -0.44 0.00 3.23 -0.58 -1.26 -4.40 120.64 117.19 1f9w n GLU 401 Ca 0.00 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1f9w n GLU 401 Cb 0.00 -0.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.47 1f9w n GLU 401 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1f9w n ASP 404 N -1.30 0.00 0.00 1.62 4.64 -1.26 -4.77 116.55 115.48 1f9w n ASP 404 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1f9w n ASP 404 Cb 0.02 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.10 1f9w n ASP 404 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1f9w n THR 405 N -0.48 0.00 -3.57 5.18 -2.24 -1.26 -2.60 114.28 109.31 1f9w n THR 405 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1f9w n THR 405 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1f9w n THR 405 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1f9w s SER 406 N -2.71 -0.78 0.00 3.42 0.01 -1.26 -4.40 113.70 107.97 1f9w s SER 406 Ca 0.00 1.14 0.12 0.00 1.31 0.00 0.00 55.95 58.52 1f9w s SER 406 Cb 0.00 1.68 -0.09 0.00 0.21 0.00 0.00 66.02 67.82 1f9w s SER 406 CO 0.00 -0.17 0.57 0.18 0.41 0.00 0.00 173.24 174.23 1f9w n LEU 407 N 4.68 0.81 -4.05 2.44 4.32 -1.26 -4.82 117.00 119.12 1f9w n LEU 407 Ca -0.14 -0.58 -0.37 0.00 -0.02 0.00 0.00 56.01 54.89 1f9w n LEU 407 Cb 0.54 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 1f9w n LEU 407 CO -0.02 0.18 1.89 -0.38 -1.22 0.00 0.00 177.39 177.83 1f9w n ILE 408 N -0.95 2.02 -2.34 -0.08 -0.00 -1.26 -3.63 119.36 113.13 1f9w n ILE 408 Ca 0.03 -1.92 -0.42 0.00 -0.00 0.00 0.00 62.75 60.44 1f9w n ILE 408 Cb 0.21 -2.27 -0.02 0.00 -0.00 0.00 0.00 39.64 37.55 1f9w n ILE 408 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1f9w s ASN 409 N 5.48 6.17 -0.57 4.38 2.47 0.47 -4.91 114.94 128.44 1f9w s ASN 409 Ca 0.61 0.59 -0.23 0.00 0.42 0.00 0.00 52.86 54.24 1f9w s ASN 409 Cb 0.08 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.39 1f9w s ASN 409 CO 0.12 -1.61 0.92 -0.69 -3.72 0.00 0.00 177.10 172.11 1f9w s VAL 410 N 5.95 4.42 0.72 -5.21 1.01 -1.26 -0.05 120.40 125.98 1f9w s VAL 410 Ca 0.58 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.50 1f9w s VAL 410 Cb -0.13 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1f9w s VAL 410 CO 0.29 -1.16 1.16 0.20 0.00 0.00 0.00 175.10 175.59 1f9w s ASN 411 N 3.00 4.46 0.28 3.32 0.01 -1.18 -4.93 114.94 119.90 1f9w s ASN 411 Ca 0.27 2.19 -0.29 0.00 -0.71 0.00 0.00 52.86 54.31 1f9w s ASN 411 Cb -0.14 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.85 1f9w s ASN 411 CO 0.17 -2.07 1.35 -1.61 -1.51 0.00 0.00 177.10 173.42 1f9w s GLU 412 N -4.07 4.34 -0.15 -0.60 0.41 -1.26 -4.68 118.70 112.68 1f9w s GLU 412 Ca 0.70 2.21 -0.33 0.00 -0.41 0.00 0.00 54.97 57.15 1f9w s GLU 412 Cb -0.25 -3.10 -0.10 0.00 -1.78 0.00 0.00 34.13 28.90 1f9w s GLU 412 CO 0.45 -0.26 2.01 0.34 -0.49 0.00 0.00 175.26 177.31 1f9w n PHE 413 N 1.56 2.15 -2.85 1.61 -0.00 -1.26 -4.73 117.46 113.94 1f9w n PHE 413 Ca 0.03 -0.02 -0.44 0.00 -0.00 0.00 0.00 57.45 57.03 1f9w n PHE 413 Cb 0.41 -2.67 0.00 0.00 -0.00 0.00 0.00 39.48 37.23 1f9w n PHE 413 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1f9w n ASP 414 N 8.25 5.47 -0.05 -2.13 -0.08 -1.23 -4.89 116.55 121.89 1f9w n ASP 414 Ca 0.27 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 1f9w n ASP 414 Cb 0.32 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.33 1f9w n ASP 414 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1f9w n ASP 415 N 3.72 0.00 0.00 1.67 3.85 -1.26 -1.33 116.55 123.20 1f9w n ASP 415 Ca 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.41 1f9w n ASP 415 Cb 0.38 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1f9w n ASP 415 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1f9w n ASN 416 N -0.31 0.00 0.00 -1.12 5.03 -1.26 -3.97 115.26 113.64 1f9w n ASN 416 Ca 0.00 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1f9w n ASN 416 Cb 0.00 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1f9w n ASN 416 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1f9w n SER 417 N -1.83 0.00 0.00 6.41 3.41 -1.06 -4.74 113.62 115.81 1f9w n SER 417 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1f9w n SER 417 Cb 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1f9w n SER 417 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f9w n GLY 418 N -1.40 2.05 0.00 5.00 0.00 -0.44 -4.96 105.19 105.43 1f9w n GLY 418 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f9w n GLY 418 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1f9w n VAL 419 N -1.94 0.00 0.00 1.61 0.24 -1.23 -4.73 118.33 112.28 1f9w n VAL 419 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1f9w n VAL 419 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1f9w n VAL 419 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1f9w n GLN 420 N 0.00 0.00 -0.29 7.34 7.27 -1.23 -3.58 117.38 126.89 1f9w n GLN 420 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 1f9w n GLN 420 Cb 0.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.72 1f9w n GLN 420 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1f9w n SER 421 N 0.00 -1.35 0.00 1.69 7.64 -1.26 -3.19 113.62 117.16 1f9w n SER 421 Ca 0.00 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1f9w n SER 421 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1f9w n SER 421 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1f9w n MET 422 N -2.47 0.00 -4.76 1.43 3.85 0.23 -3.13 117.12 112.26 1f9w n MET 422 Ca 0.04 0.00 -0.25 0.00 -1.00 0.00 0.00 57.70 56.50 1f9w n MET 422 Cb 0.17 0.00 -0.16 0.00 -1.05 0.00 0.00 33.22 32.18 1f9w n MET 422 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1f9w s GLU 423 N -1.19 1.55 0.16 3.17 2.02 0.93 -1.67 118.70 123.68 1f9w s GLU 423 Ca 0.00 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.49 1f9w s GLU 423 Cb 0.00 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 1f9w s GLU 423 CO 0.00 0.26 0.02 0.08 0.02 0.00 0.00 175.26 175.63 1f9w s VAL 424 N -0.06 3.85 -0.02 2.63 1.01 -0.04 -0.40 120.40 127.37 1f9w s VAL 424 Ca -0.01 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 1f9w s VAL 424 Cb -0.10 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1f9w s VAL 424 CO 0.01 -0.08 0.16 -0.89 0.00 0.00 0.00 175.10 174.30 1f9w s THR 425 N -1.68 0.06 -0.16 3.92 2.01 -1.24 0.64 115.64 119.19 1f9w s THR 425 Ca 0.28 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1f9w s THR 425 Cb -0.10 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1f9w s THR 425 CO 0.19 -0.27 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.97 1f9w s VAL 433 N -0.99 1.96 -0.05 3.82 1.01 -1.26 -5.10 120.40 119.79 1f9w s VAL 433 Ca -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 1f9w s VAL 433 Cb -0.06 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1f9w s VAL 433 CO 0.01 0.53 0.12 -1.00 0.00 0.00 0.00 175.10 174.76 1f9w s HIS 434 N 1.13 3.44 0.01 5.22 3.76 0.21 -5.11 115.29 123.93 1f9w s HIS 434 Ca -0.00 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 1f9w s HIS 434 Cb -0.14 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1f9w s HIS 434 CO -0.08 0.62 -0.03 -2.00 -0.85 0.00 0.00 174.74 172.40 1f9w s GLU 435 N -1.46 2.66 0.02 1.40 2.12 -1.26 -0.86 118.70 121.31 1f9w s GLU 435 Ca 0.20 -0.68 -0.16 0.00 0.36 0.00 0.00 54.97 54.70 1f9w s GLU 435 Cb -0.12 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1f9w s GLU 435 CO 0.11 0.61 0.34 -0.06 -0.54 0.00 0.00 175.26 175.72 1f9w s PHE 436 N -1.06 -0.19 -0.49 5.30 0.08 -0.67 -5.00 117.98 115.95 1f9w s PHE 436 Ca 0.19 0.18 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1f9w s PHE 436 Cb -0.11 0.13 0.20 0.00 -0.57 0.00 0.00 43.02 42.67 1f9w s PHE 436 CO 0.10 -0.48 0.68 0.36 -0.10 0.00 0.00 175.22 175.78 1f9w n LYS 437 N 0.84 0.53 0.00 0.44 2.85 -1.26 -0.60 118.16 120.96 1f9w n LYS 437 Ca -0.20 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 1f9w n LYS 437 Cb 0.58 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1f9w n LYS 437 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1f9w n PHE 438 N 2.60 -1.70 0.33 5.58 3.72 -1.19 -4.54 117.46 122.25 1f9w n PHE 438 Ca 0.19 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 1f9w n PHE 438 Cb 0.56 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.31 1f9w n PHE 438 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1f9w n ASP 439 N -1.93 2.90 0.00 4.37 8.00 1.00 -3.54 116.55 127.35 1f9w n ASP 439 Ca 0.00 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.28 1f9w n ASP 439 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1f9w n ASP 439 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1f9w n LYS 440 N 0.61 0.00 -4.09 -1.24 4.81 -1.26 -4.89 118.16 112.10 1f9w n LYS 440 Ca 0.15 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.32 1f9w n LYS 440 Cb 0.54 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.53 1f9w n LYS 440 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1f9w s ILE 441 N -0.21 4.39 -0.22 3.15 1.01 -1.26 -2.91 121.20 125.14 1f9w s ILE 441 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1f9w s ILE 441 Cb 0.00 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.33 1f9w s ILE 441 CO 0.00 -0.04 -0.02 -0.36 0.00 0.00 0.00 174.94 174.52 1f9w s PHE 442 N -1.63 1.97 0.63 3.97 0.08 -1.07 -4.93 117.98 117.00 1f9w s PHE 442 Ca 0.30 -1.48 -0.07 0.00 0.12 0.00 0.00 56.93 55.79 1f9w s PHE 442 Cb -0.11 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 1f9w s PHE 442 CO 0.22 -0.73 0.96 0.34 -0.10 0.00 0.00 175.22 175.91 1f9w s ASP 443 N 1.54 5.44 0.61 1.36 -1.08 -1.26 0.89 116.67 124.16 1f9w s ASP 443 Ca -0.04 0.76 0.27 0.00 -0.52 0.00 0.00 52.55 53.02 1f9w s ASP 443 Cb -0.18 -1.66 1.18 0.00 -1.46 0.00 0.00 42.92 40.80 1f9w s ASP 443 CO -0.07 -1.20 1.59 0.06 0.52 0.00 0.00 175.17 176.07 1f9w h GLN 444 N -0.34 0.00 -0.45 4.34 3.07 -1.79 0.22 115.11 120.16 1f9w h GLN 444 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.27 1f9w h GLN 444 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 1f9w h GLN 444 CO 0.61 0.00 0.21 1.96 0.09 0.00 0.00 178.83 181.70 1f9w h GLN 445 N 0.00 0.65 -6.88 0.06 4.20 -1.91 -3.41 115.11 107.82 1f9w h GLN 445 Ca 0.33 -0.10 -0.53 0.00 0.06 0.00 0.00 58.65 58.41 1f9w h GLN 445 Cb 2.01 -0.11 0.08 0.00 0.30 0.00 0.00 27.48 29.75 1f9w h GLN 445 CO -0.00 0.56 0.70 -0.51 -0.67 0.00 0.00 178.83 178.91 1f9w s ASP 446 N -5.84 6.63 0.59 1.46 1.01 0.06 -5.03 116.67 115.56 1f9w s ASP 446 Ca -0.13 2.79 0.09 0.00 0.71 0.00 0.00 52.55 56.01 1f9w s ASP 446 Cb 0.11 -2.65 0.09 0.00 1.01 0.00 0.00 42.92 41.48 1f9w s ASP 446 CO 0.75 -0.66 0.75 0.42 0.21 0.00 0.00 175.17 176.64 1f9w s THR 447 N -0.94 1.91 0.22 -1.27 -4.23 -1.26 -4.87 115.64 105.19 1f9w s THR 447 Ca 0.52 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.84 1f9w s THR 447 Cb -0.42 -2.01 0.18 0.00 1.34 0.00 0.00 72.50 71.60 1f9w s THR 447 CO 0.54 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.29 1f9w h ASN 448 N 0.22 0.94 -0.75 3.99 4.21 -1.96 0.67 115.58 122.90 1f9w h ASN 448 Ca -0.30 -0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.22 1f9w h ASN 448 Cb 1.29 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 38.21 1f9w h ASN 448 CO 0.43 0.69 0.48 0.58 -1.29 0.00 0.00 177.43 178.31 1f9w h VAL 449 N 1.11 1.12 0.20 2.81 2.07 -1.95 0.70 116.25 122.31 1f9w h VAL 449 Ca 0.30 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1f9w h VAL 449 Cb -0.13 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1f9w h VAL 449 CO -0.06 0.17 -0.10 0.44 0.02 0.00 0.00 177.57 178.04 1f9w h ASP 450 N 0.93 -0.23 -0.50 0.57 3.32 -1.67 -0.07 116.42 118.78 1f9w h ASP 450 Ca 0.30 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.32 1f9w h ASP 450 Cb 0.00 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1f9w h ASP 450 CO -0.11 -0.05 0.19 0.58 -1.72 0.00 0.00 179.24 178.13 1f9w h VAL 451 N -0.39 0.85 0.00 -1.35 2.07 -0.31 -2.06 116.25 115.06 1f9w h VAL 451 Ca -0.03 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1f9w h VAL 451 Cb 0.30 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1f9w h VAL 451 CO 0.04 0.07 -0.34 0.15 0.02 0.00 0.00 177.57 177.51 1f9w h PHE 452 N 0.37 0.00 0.00 1.57 3.57 0.55 -2.88 116.94 120.12 1f9w h PHE 452 Ca 0.24 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 1f9w h PHE 452 Cb 0.24 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1f9w h PHE 452 CO -0.15 0.34 -0.09 0.87 -2.23 0.00 0.00 178.31 177.05 1f9w h LYS 453 N 0.00 0.00 0.00 1.11 1.57 -0.26 1.63 116.57 120.62 1f9w h LYS 453 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1f9w h LYS 453 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1f9w h LYS 453 CO 0.04 0.09 -0.12 0.93 -0.57 0.00 0.00 179.45 179.82 1f9w h GLU 454 N 0.00 0.00 0.54 3.15 4.39 -1.47 -3.39 114.58 117.79 1f9w h GLU 454 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1f9w h GLU 454 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1f9w h GLU 454 CO 0.01 0.33 -0.34 0.28 -1.16 0.00 0.00 179.01 178.13 1f9w h VAL 455 N -1.00 0.30 -0.29 3.13 2.07 -1.28 -3.10 116.25 116.08 1f9w h VAL 455 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1f9w h VAL 455 Cb 0.40 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1f9w h VAL 455 CO -0.01 0.00 0.17 0.61 0.02 0.00 0.00 177.57 178.36 1f9w n GLY 456 N -1.48 -0.19 0.29 2.17 0.00 0.55 -0.23 105.19 106.31 1f9w n GLY 456 Ca -0.12 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1f9w n GLY 456 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1f9w h GLN 457 N 0.00 -0.36 -0.19 1.61 5.75 -1.75 -2.81 115.11 117.36 1f9w h GLN 457 Ca 0.20 0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.57 1f9w h GLN 457 Cb 0.61 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1f9w h GLN 457 CO -0.14 -0.24 -0.54 1.37 -2.65 0.00 0.00 178.83 176.63 1f9w h LEU 458 N -0.37 0.60 -2.54 -2.39 -0.00 -0.84 -3.19 115.31 106.58 1f9w h LEU 458 Ca 0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1f9w h LEU 458 Cb 0.43 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1f9w h LEU 458 CO -0.26 1.03 0.01 -0.37 -0.00 0.00 0.00 178.44 178.84 1f9w h VAL 459 N 0.42 0.44 0.00 0.15 -1.51 -1.47 0.12 116.25 114.40 1f9w h VAL 459 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1f9w h VAL 459 Cb 1.08 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1f9w h VAL 459 CO 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 1f9w n GLN 460 N -3.72 0.01 -0.03 5.19 10.64 -1.07 -3.23 117.38 125.18 1f9w n GLN 460 Ca -0.03 0.04 0.03 0.00 -1.83 0.00 0.00 57.00 55.21 1f9w n GLN 460 Cb 0.09 -1.50 0.38 0.00 -0.86 0.00 0.00 30.24 28.35 1f9w n GLN 460 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 1f9w h SER 461 N 0.00 0.53 -0.83 2.61 0.02 -0.91 -2.07 113.55 112.90 1f9w h SER 461 Ca 0.00 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1f9w h SER 461 Cb 0.45 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1f9w h SER 461 CO 0.00 0.42 0.55 0.28 -1.14 0.00 0.00 176.83 176.94 1f9w h SER 462 N 0.61 0.47 0.55 3.07 0.02 -1.66 2.42 113.55 119.03 1f9w h SER 462 Ca 0.16 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1f9w h SER 462 Cb -0.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1f9w h SER 462 CO -0.03 0.22 0.00 -0.07 -1.14 0.00 0.00 176.83 175.81 1f9w h LEU 463 N 0.49 0.00 -3.99 5.07 3.38 -1.61 0.31 115.31 118.96 1f9w h LEU 463 Ca 0.42 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.87 1f9w h LEU 463 Cb 0.91 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.35 1f9w h LEU 463 CO -0.16 0.00 0.67 0.47 0.09 0.00 0.00 178.44 179.51 1f9w n ASP 464 N -2.49 3.95 0.00 -0.43 8.00 0.81 -4.89 116.55 121.50 1f9w n ASP 464 Ca 0.00 -3.61 0.00 0.00 0.71 0.00 0.00 54.79 51.90 1f9w n ASP 464 Cb 0.18 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 1f9w n ASP 464 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f9w n GLY 465 N -1.13 0.20 3.83 0.44 0.00 0.11 -4.96 105.19 103.68 1f9w n GLY 465 Ca 0.60 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 1f9w n GLY 465 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f9w s TYR 466 N -1.58 3.00 0.06 1.61 1.51 -0.99 -4.28 117.35 116.68 1f9w s TYR 466 Ca 0.00 1.11 0.06 0.00 -1.01 0.00 0.00 57.07 57.23 1f9w s TYR 466 Cb 0.00 -3.11 -0.04 0.00 -0.11 0.00 0.00 41.96 38.71 1f9w s TYR 466 CO 0.00 -1.57 -0.12 -0.80 -1.11 0.00 0.00 175.55 171.96 1f9w s ASN 467 N -4.07 4.27 0.02 2.29 0.01 -1.25 -3.00 114.94 113.21 1f9w s ASN 467 Ca 0.60 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.43 1f9w s ASN 467 Cb -0.13 -0.83 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 1f9w s ASN 467 CO 0.53 0.23 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.61 1f9w s VAL 468 N -1.06 0.35 -0.05 1.60 1.01 0.28 0.17 120.40 122.70 1f9w s VAL 468 Ca 0.18 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1f9w s VAL 468 Cb -0.11 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1f9w s VAL 468 CO 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 175.10 174.93 1f9w s ILE 470 N 0.66 1.40 -0.06 0.00 -1.09 0.13 0.15 121.20 122.39 1f9w s ILE 470 Ca -0.12 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 57.75 1f9w s ILE 470 Cb -0.15 -1.27 -0.01 0.00 -1.58 0.00 0.00 42.46 39.46 1f9w s ILE 470 CO 0.02 0.42 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.54 1f9w s PHE 471 N 0.80 2.44 -0.52 3.97 0.08 0.26 0.22 117.98 125.23 1f9w s PHE 471 Ca -0.11 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.16 1f9w s PHE 471 Cb -0.16 -1.60 0.14 0.00 -0.57 0.00 0.00 43.02 40.83 1f9w s PHE 471 CO 0.02 -0.21 0.35 0.00 -0.10 0.00 0.00 175.22 175.28 1f9w s ALA 472 N -0.17 3.42 0.26 5.36 0.00 0.07 0.16 121.76 130.87 1f9w s ALA 472 Ca -0.03 -2.81 0.08 0.00 0.00 0.00 0.00 51.96 49.19 1f9w s ALA 472 Cb -0.14 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1f9w s ALA 472 CO 0.04 -1.96 0.17 -0.47 0.00 0.00 0.00 175.76 173.54 1f9w s TYR 473 N 0.78 3.02 0.00 0.00 5.04 0.19 -1.95 117.35 124.43 1f9w s TYR 473 Ca 0.11 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1f9w s TYR 473 Cb -0.22 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.68 1f9w s TYR 473 CO -0.03 0.51 0.00 0.41 -1.34 0.00 0.00 175.55 175.09 1f9w n GLY 474 N -1.15 3.97 3.43 8.97 0.00 -1.26 -0.47 105.19 118.68 1f9w n GLY 474 Ca -0.07 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1f9w n GLY 474 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1f9w n GLN 475 N -1.56 0.25 -2.00 1.61 7.27 -1.26 -3.13 117.38 118.57 1f9w n GLN 475 Ca 0.00 0.12 -0.38 0.00 0.07 0.00 0.00 57.00 56.82 1f9w n GLN 475 Cb 0.00 -1.74 0.02 0.00 2.41 0.00 0.00 30.24 30.93 1f9w n GLN 475 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1f9w s THR 476 N -1.93 2.55 0.00 1.69 2.01 -1.26 -2.49 115.64 116.20 1f9w s THR 476 Ca 0.64 0.40 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1f9w s THR 476 Cb -0.35 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 68.96 1f9w s THR 476 CO 0.60 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 1f9w n GLY 477 N 0.59 1.42 0.02 4.40 0.00 -1.26 -4.87 105.19 105.49 1f9w n GLY 477 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 1f9w n GLY 477 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f9w n SER 478 N 0.00 0.05 0.00 1.61 3.41 -1.04 -4.93 113.62 112.72 1f9w n SER 478 Ca 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1f9w n SER 478 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1f9w n SER 478 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f9w n GLY 479 N 1.09 0.70 0.28 5.00 0.00 -1.26 -4.14 105.19 106.86 1f9w n GLY 479 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1f9w n GLY 479 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f9w h LYS 480 N 2.63 0.09 -0.00 1.61 1.57 -1.90 0.23 116.57 120.80 1f9w h LYS 480 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1f9w h LYS 480 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1f9w h LYS 480 CO 0.00 0.06 -0.57 1.15 -0.57 0.00 0.00 179.45 179.52 1f9w h THR 481 N 0.10 1.41 0.19 -0.16 2.02 -1.93 -2.43 112.91 112.10 1f9w h THR 481 Ca 0.43 -1.96 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 1f9w h THR 481 Cb 0.76 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1f9w h THR 481 CO -0.69 0.56 -0.09 0.15 0.37 0.00 0.00 175.52 175.82 1f9w h PHE 482 N 0.01 -0.24 -0.88 3.16 3.04 -1.01 0.72 116.94 121.74 1f9w h PHE 482 Ca -0.01 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.10 1f9w h PHE 482 Cb 1.01 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.53 1f9w h PHE 482 CO 0.00 0.11 0.57 1.15 -2.02 0.00 0.00 178.31 178.13 1f9w h THR 483 N -0.62 0.77 0.06 4.41 2.02 -0.96 0.97 112.91 119.56 1f9w h THR 483 Ca -0.03 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 66.64 1f9w h THR 483 Cb 0.46 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1f9w h THR 483 CO 0.04 0.10 -1.77 0.80 0.37 0.00 0.00 175.52 175.07 1f9w n MET 484 N -4.55 0.67 0.00 6.66 1.56 -0.92 0.31 117.12 120.85 1f9w n MET 484 Ca 0.18 0.38 0.01 0.00 -0.27 0.00 0.00 57.70 58.00 1f9w n MET 484 Cb 0.55 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.22 1f9w n MET 484 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1f9w n LEU 485 N -3.89 0.79 -4.61 -0.89 4.77 0.25 -0.28 117.00 113.14 1f9w n LEU 485 Ca -0.34 -0.81 -0.62 0.00 -0.03 0.00 0.00 56.01 54.21 1f9w n LEU 485 Cb 0.89 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 1f9w n LEU 485 CO 0.30 0.18 0.86 -3.20 -1.33 0.00 0.00 177.39 174.20 1f9w n ASN 486 N -0.31 0.70 -4.51 -1.43 5.15 0.33 -4.54 115.26 110.65 1f9w n ASN 486 Ca 0.01 1.16 -0.48 0.00 -0.60 0.00 0.00 54.58 54.68 1f9w n ASN 486 Cb 0.05 -0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 38.34 1f9w n ASN 486 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1f9w n PRO 487 N 2.74 0.71 0.00 1.20 -0.02 -1.26 0.12 135.00 138.49 1f9w n PRO 487 Ca 0.24 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1f9w n PRO 487 Cb 0.04 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1f9w n PRO 487 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f9w n GLY 488 N 1.69 0.09 0.07 -1.23 0.00 -1.26 -4.34 105.19 100.22 1f9w n GLY 488 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1f9w n GLY 488 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f9w h ASP 489 N 0.00 0.00 -1.85 1.61 3.32 -1.80 -3.38 116.42 114.32 1f9w h ASP 489 Ca 0.00 -0.38 -0.52 0.00 0.02 0.00 0.00 57.03 56.15 1f9w h ASP 489 Cb 0.00 0.00 0.21 0.00 0.22 0.00 0.00 39.33 39.76 1f9w h ASP 489 CO 0.00 0.90 -1.58 0.61 -1.72 0.00 0.00 179.24 177.45 1f9w n GLY 490 N 1.63 -4.03 0.37 2.75 0.00 0.32 -4.37 105.19 101.85 1f9w n GLY 490 Ca -0.11 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.35 1f9w n GLY 490 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1f9w h ILE 491 N -0.72 1.02 0.10 -0.61 2.04 0.34 -0.31 117.51 119.38 1f9w h ILE 491 Ca -0.40 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1f9w h ILE 491 Cb 1.23 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1f9w h ILE 491 CO 0.25 0.19 -0.05 0.40 0.00 0.00 0.00 178.15 178.95 1f9w h ILE 492 N 1.06 1.08 -0.90 -0.67 2.04 -0.90 0.28 117.51 119.51 1f9w h ILE 492 Ca 0.44 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1f9w h ILE 492 Cb 0.30 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 1f9w h ILE 492 CO -0.19 0.18 0.55 -0.65 0.00 0.00 0.00 178.15 178.03 1f9w h PRO 493 N -0.48 0.93 0.00 2.37 0.11 -1.63 -0.93 132.00 132.38 1f9w h PRO 493 Ca -0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1f9w h PRO 493 Cb 0.39 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1f9w h PRO 493 CO 0.02 0.62 -0.38 0.77 -0.21 0.00 0.00 178.00 178.82 1f9w h SER 494 N 0.96 0.00 -0.00 -2.05 0.02 -1.02 -2.66 113.55 108.80 1f9w h SER 494 Ca 0.41 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.16 1f9w h SER 494 Cb 0.27 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.83 1f9w h SER 494 CO -0.21 0.38 -0.76 0.74 -1.14 0.00 0.00 176.83 175.84 1f9w h THR 495 N 0.00 1.37 -0.08 -2.27 2.02 0.37 0.64 112.91 114.97 1f9w h THR 495 Ca -0.00 -2.14 -0.06 0.00 0.77 0.00 0.00 66.41 64.98 1f9w h THR 495 Cb 0.77 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 1f9w h THR 495 CO 0.05 0.64 -0.21 0.40 0.37 0.00 0.00 175.52 176.77 1f9w h ILE 496 N 0.08 1.19 0.24 3.11 2.04 -1.28 0.68 117.51 123.58 1f9w h ILE 496 Ca -0.09 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 1f9w h ILE 496 Cb 1.45 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1f9w h ILE 496 CO 0.15 0.27 -0.12 0.28 0.00 0.00 0.00 178.15 178.73 1f9w h SER 497 N 0.12 -0.28 -0.87 1.72 0.02 -1.43 0.10 113.55 112.94 1f9w h SER 497 Ca 0.02 0.01 0.20 0.00 -0.84 0.00 0.00 61.79 61.18 1f9w h SER 497 Cb 0.45 0.07 -0.12 0.00 0.14 0.00 0.00 62.40 62.94 1f9w h SER 497 CO 0.03 0.11 0.38 -0.74 -1.14 0.00 0.00 176.83 175.47 1f9w h HIS 498 N -0.94 0.63 -0.03 3.45 -0.00 -0.81 0.59 115.15 118.04 1f9w h HIS 498 Ca -0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1f9w h HIS 498 Cb 0.25 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1f9w h HIS 498 CO 0.01 -0.00 -0.00 0.82 -0.00 0.00 0.00 177.93 178.75 1f9w h ILE 499 N 0.43 1.27 -0.12 6.26 2.04 -0.95 -1.57 117.51 124.88 1f9w h ILE 499 Ca 0.52 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1f9w h ILE 499 Cb 0.93 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1f9w h ILE 499 CO -0.49 0.22 -0.18 -0.26 0.00 0.00 0.00 178.15 177.44 1f9w h PHE 500 N -0.28 -0.46 -0.52 1.37 0.05 0.20 -1.79 116.94 115.50 1f9w h PHE 500 Ca 0.01 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.84 1f9w h PHE 500 Cb 0.35 0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.50 1f9w h PHE 500 CO 0.04 -0.25 0.33 -0.91 -0.18 0.00 0.00 178.31 177.34 1f9w h ASN 501 N -0.23 0.55 -0.53 2.17 2.35 0.04 -2.01 115.58 117.91 1f9w h ASN 501 Ca 0.09 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.94 1f9w h ASN 501 Cb 0.37 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1f9w h ASN 501 CO -0.25 0.40 0.36 -0.50 -1.65 0.00 0.00 177.43 175.79 1f9w h TRP 502 N 0.66 0.32 -0.02 1.19 4.06 -0.84 -1.83 115.95 119.50 1f9w h TRP 502 Ca 0.20 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 61.08 1f9w h TRP 502 Cb -0.03 -0.11 0.01 0.00 -1.00 0.00 0.00 29.16 28.03 1f9w h TRP 502 CO -0.05 0.16 -0.30 0.82 -3.56 0.00 0.00 178.44 175.51 1f9w h ILE 503 N 0.31 1.50 -1.00 1.49 2.04 -0.63 -1.25 117.51 119.97 1f9w h ILE 503 Ca 0.25 -1.89 0.13 0.00 1.00 0.00 0.00 64.86 64.36 1f9w h ILE 503 Cb 0.57 2.63 -0.09 0.00 -0.74 0.00 0.00 36.82 39.19 1f9w h ILE 503 CO -0.06 0.53 0.63 0.78 0.00 0.00 0.00 178.15 180.02 1f9w h ASN 504 N -0.38 0.89 0.91 1.72 2.35 -1.09 1.14 115.58 121.12 1f9w h ASN 504 Ca -0.03 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1f9w h ASN 504 Cb 1.02 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1f9w h ASN 504 CO 0.06 0.44 -0.10 2.29 -1.65 0.00 0.00 177.43 178.48 1f9w n LYS 505 N -4.64 0.00 -0.05 0.81 -0.00 -0.72 -3.50 118.16 110.06 1f9w n LYS 505 Ca 0.20 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.33 1f9w n LYS 505 Cb 0.40 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 33.79 1f9w n LYS 505 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1f9w n LEU 506 N -1.51 2.31 -0.19 -5.58 4.77 0.26 -4.15 117.00 112.90 1f9w n LEU 506 Ca 0.07 0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1f9w n LEU 506 Cb 0.34 -0.75 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1f9w n LEU 506 CO 0.29 0.80 0.62 0.50 -1.33 0.00 0.00 177.39 178.26 1f9w h LYS 507 N 0.03 -0.18 0.00 3.23 3.64 0.88 1.43 116.57 125.60 1f9w h LYS 507 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1f9w h LYS 507 Cb 2.01 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1f9w h LYS 507 CO 0.02 -0.12 0.23 0.25 -2.27 0.00 0.00 179.45 177.56 1f9w n THR 508 N -5.43 1.02 -1.88 1.00 -2.24 -1.24 -0.46 114.28 105.06 1f9w n THR 508 Ca 0.03 0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 62.02 1f9w n THR 508 Cb 0.35 -1.49 0.03 0.00 -2.10 0.00 0.00 70.33 67.13 1f9w n THR 508 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f9w n LYS 509 N -1.25 3.33 0.00 -0.78 5.02 0.49 -4.92 118.16 120.04 1f9w n LYS 509 Ca 0.00 -3.94 0.00 0.00 -2.02 0.00 0.00 58.31 52.35 1f9w n LYS 509 Cb 0.23 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 1f9w n LYS 509 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f9w n GLY 510 N -0.74 1.53 0.00 0.72 0.00 0.39 -4.93 105.19 102.16 1f9w n GLY 510 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1f9w n GLY 510 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1f9w n TRP 511 N 0.00 -1.24 0.00 1.61 7.02 -1.19 -4.21 117.44 119.43 1f9w n TRP 511 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1f9w n TRP 511 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1f9w n TRP 511 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1f9w n ASP 512 N -1.48 0.00 -4.29 -0.99 2.03 -1.24 -4.42 116.55 106.15 1f9w n ASP 512 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1f9w n ASP 512 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1f9w n ASP 512 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1f9w s TYR 513 N -0.44 1.55 -0.03 -0.67 4.12 -1.26 -2.55 117.35 118.07 1f9w s TYR 513 Ca 0.00 -0.57 0.06 0.00 0.02 0.00 0.00 57.07 56.58 1f9w s TYR 513 Cb 0.00 -0.77 -0.02 0.00 -1.52 0.00 0.00 41.96 39.65 1f9w s TYR 513 CO 0.00 0.23 -0.21 0.21 0.02 0.00 0.00 175.55 175.80 1f9w s LYS 514 N -3.11 2.27 -0.03 -0.62 2.36 0.24 -4.92 119.74 115.92 1f9w s LYS 514 Ca 0.15 -0.83 -0.01 0.00 -2.55 0.00 0.00 55.97 52.73 1f9w s LYS 514 Cb -0.03 -2.18 0.03 0.00 -1.05 0.00 0.00 37.83 34.60 1f9w s LYS 514 CO 0.04 0.59 0.06 0.08 1.55 0.00 0.00 175.35 177.67 1f9w s VAL 515 N -0.66 -0.04 0.06 4.02 1.01 -1.26 -1.12 120.40 122.41 1f9w s VAL 515 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1f9w s VAL 515 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1f9w s VAL 515 CO -0.00 0.07 0.01 0.54 0.00 0.00 0.00 175.10 175.71 1f9w s ASN 516 N 0.86 0.43 0.34 3.32 2.20 -1.19 0.07 114.94 120.96 1f9w s ASN 516 Ca -0.07 -0.94 -0.02 0.00 -0.94 0.00 0.00 52.86 50.89 1f9w s ASN 516 Cb -0.10 0.22 -0.00 0.00 -2.00 0.00 0.00 41.25 39.38 1f9w s ASN 516 CO -0.03 -0.62 0.45 0.00 -2.94 0.00 0.00 177.10 173.96 1f9w s GLU 518 N -3.13 0.58 -0.08 0.00 8.01 -0.24 -0.04 118.70 123.80 1f9w s GLU 518 Ca 0.31 -0.20 -0.01 0.00 0.01 0.00 0.00 54.97 55.09 1f9w s GLU 518 Cb -0.00 0.26 0.03 0.00 -4.31 0.00 0.00 34.13 30.10 1f9w s GLU 518 CO 0.20 -0.15 -0.03 0.12 0.01 0.00 0.00 175.26 175.41 1f9w s PHE 519 N -1.20 0.98 0.31 1.61 5.36 -1.26 0.04 117.98 123.83 1f9w s PHE 519 Ca -0.13 -0.38 0.06 0.00 -0.96 0.00 0.00 56.93 55.52 1f9w s PHE 519 Cb -0.06 -0.94 -0.03 0.00 -0.34 0.00 0.00 43.02 41.65 1f9w s PHE 519 CO 0.03 -0.38 0.24 0.96 -1.46 0.00 0.00 175.22 174.61 1f9w s ILE 520 N 1.72 0.06 -0.05 3.12 -4.36 -0.82 -1.31 121.20 119.56 1f9w s ILE 520 Ca 0.03 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.35 1f9w s ILE 520 Cb -0.13 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.11 1f9w s ILE 520 CO -0.05 0.00 0.17 -1.83 0.24 0.00 0.00 174.94 173.47 1f9w s GLU 521 N -3.60 0.28 -0.88 0.37 -1.05 0.19 -0.59 118.70 113.43 1f9w s GLU 521 Ca 0.39 0.10 -0.10 0.00 -0.15 0.00 0.00 54.97 55.21 1f9w s GLU 521 Cb 0.03 0.13 0.23 0.00 -0.44 0.00 0.00 34.13 34.07 1f9w s GLU 521 CO 0.24 -0.05 0.81 0.42 0.95 0.00 0.00 175.26 177.63 1f9w s ILE 522 N -0.25 5.33 -0.24 1.83 1.01 0.34 0.11 121.20 129.33 1f9w s ILE 522 Ca -0.03 -2.90 -0.06 0.00 0.00 0.00 0.00 60.65 57.65 1f9w s ILE 522 Cb -0.03 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 1f9w s ILE 522 CO 0.01 -1.05 0.03 -0.47 0.00 0.00 0.00 174.94 173.45 1f9w s TYR 523 N -0.36 3.04 -1.13 3.97 5.04 -1.16 -1.97 117.35 124.78 1f9w s TYR 523 Ca 0.22 -0.64 -0.05 0.00 -2.44 0.00 0.00 57.07 54.15 1f9w s TYR 523 Cb -0.11 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 39.97 1f9w s TYR 523 CO -0.08 -0.44 0.90 0.09 -1.34 0.00 0.00 175.55 174.68 1f9w n ASN 524 N 4.87 -4.59 -0.47 4.32 3.02 -1.26 -2.12 115.26 119.02 1f9w n ASN 524 Ca -0.17 -0.73 -0.02 0.00 -0.03 0.00 0.00 54.58 53.63 1f9w n ASN 524 Cb 0.51 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 34.82 1f9w n ASN 524 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1f9w n GLU 525 N -3.71 -1.63 -3.98 3.52 -0.58 -1.26 -4.85 120.64 108.15 1f9w n GLU 525 Ca -0.16 0.19 -0.34 0.00 -0.42 0.00 0.00 57.16 56.43 1f9w n GLU 525 Cb 0.64 -3.62 -0.14 0.00 -0.57 0.00 0.00 31.44 27.74 1f9w n GLU 525 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1f9w s ASN 526 N -0.86 4.70 0.19 1.62 -0.87 -0.90 -4.83 114.94 113.99 1f9w s ASN 526 Ca 0.00 -1.39 -0.32 0.00 -1.57 0.00 0.00 52.86 49.58 1f9w s ASN 526 Cb 0.00 -1.64 -0.12 0.00 -0.02 0.00 0.00 41.25 39.47 1f9w s ASN 526 CO 0.00 -0.24 1.73 -0.38 -2.57 0.00 0.00 177.10 175.64 1f9w n ILE 527 N 4.52 0.06 -4.83 0.60 5.41 -1.26 -3.01 119.36 120.86 1f9w n ILE 527 Ca -0.13 -0.01 -0.31 0.00 1.00 0.00 0.00 62.75 63.30 1f9w n ILE 527 Cb 0.43 -1.96 -0.14 0.00 -0.71 0.00 0.00 39.64 37.26 1f9w n ILE 527 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1f9w s VAL 528 N 1.42 2.61 -0.86 1.39 1.01 0.12 -4.81 120.40 121.28 1f9w s VAL 528 Ca 0.77 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1f9w s VAL 528 Cb -0.52 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 33.96 1f9w s VAL 528 CO 0.34 0.42 0.99 -0.62 0.00 0.00 0.00 175.10 176.22 1f9w s ASP 529 N -1.17 6.60 0.17 3.32 -1.08 -1.26 -0.64 116.67 122.60 1f9w s ASP 529 Ca 0.13 -2.10 0.13 0.00 -0.52 0.00 0.00 52.55 50.19 1f9w s ASP 529 Cb -0.10 -2.34 0.66 0.00 -1.46 0.00 0.00 42.92 39.68 1f9w s ASP 529 CO 0.03 -0.96 1.40 0.18 0.52 0.00 0.00 175.17 176.33 1f9w n LEU 530 N 5.94 0.31 -0.75 -1.34 4.77 -0.43 -2.02 117.00 123.49 1f9w n LEU 530 Ca 0.17 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.91 1f9w n LEU 530 Cb 0.48 -0.66 0.29 0.00 -2.33 0.00 0.00 43.42 41.20 1f9w n LEU 530 CO 0.47 -0.69 0.74 0.18 -1.33 0.00 0.00 177.39 176.76 1f9w n LEU 531 N -1.91 2.34 0.00 2.23 4.77 -1.09 -4.97 117.00 118.38 1f9w n LEU 531 Ca -0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1f9w n LEU 531 Cb 0.05 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1f9w n LEU 531 CO 0.07 0.39 0.00 -2.11 -1.33 0.00 0.00 177.39 174.42 1f9w n ARG 532 N 0.83 0.00 0.00 3.23 1.85 -0.85 -4.98 116.66 116.73 1f9w n ARG 532 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1f9w n ARG 532 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1f9w n ARG 532 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1f9w n LEU 545 N 0.00 0.00 -4.70 2.89 0.00 -1.26 -4.99 117.00 108.94 1f9w n LEU 545 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 1f9w n LEU 545 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.34 1f9w n LEU 545 CO 0.00 0.00 -0.05 -0.54 0.00 0.00 0.00 177.39 176.80 1f9w s LYS 546 N -1.33 4.19 -0.39 1.96 1.02 -1.26 -5.03 119.74 118.90 1f9w s LYS 546 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 55.99 1f9w s LYS 546 Cb 0.00 -3.48 0.14 0.00 -0.52 0.00 0.00 37.83 33.97 1f9w s LYS 546 CO 0.00 0.14 0.22 -1.01 -0.92 0.00 0.00 175.35 173.77 1f9w s HIS 547 N 0.80 1.30 -0.10 3.18 3.76 -1.26 -4.03 115.29 118.96 1f9w s HIS 547 Ca 0.14 -1.97 -0.01 0.00 -0.15 0.00 0.00 55.06 53.07 1f9w s HIS 547 Cb -0.13 -1.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 1f9w s HIS 547 CO 0.04 -0.81 -0.06 -1.21 -0.85 0.00 0.00 174.74 171.85 1f9w s GLU 548 N 0.79 3.08 -0.11 1.40 2.02 -1.26 -4.71 118.70 119.91 1f9w s GLU 548 Ca 0.17 -0.54 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 1f9w s GLU 548 Cb -0.23 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 1f9w s GLU 548 CO -0.01 0.51 1.81 0.42 0.02 0.00 0.00 175.26 178.01 1f9w s ILE 549 N -0.38 3.39 -0.32 -1.63 1.01 -1.26 -2.50 121.20 119.50 1f9w s ILE 549 Ca 0.06 0.45 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 1f9w s ILE 549 Cb -0.12 -3.36 0.07 0.00 0.01 0.00 0.00 42.46 39.06 1f9w s ILE 549 CO 0.02 -0.11 0.04 -0.13 0.00 0.00 0.00 174.94 174.75 1f9w s ARG 550 N 4.72 2.16 0.58 2.79 1.81 -0.56 -4.98 118.95 125.47 1f9w s ARG 550 Ca 0.81 -1.49 -0.13 0.00 -1.72 0.00 0.00 55.73 53.20 1f9w s ARG 550 Cb -0.33 -3.23 -0.05 0.00 -0.45 0.00 0.00 34.95 30.89 1f9w s ARG 550 CO 0.33 -0.76 1.01 -1.01 -0.68 0.00 0.00 175.30 174.19 1f9w s HIS 551 N 1.15 3.57 -0.45 -0.53 3.76 -1.26 -1.06 115.29 120.47 1f9w s HIS 551 Ca -0.00 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.27 1f9w s HIS 551 Cb -0.20 -2.74 0.14 0.00 1.11 0.00 0.00 32.58 30.89 1f9w s HIS 551 CO -0.03 -0.58 0.25 0.34 -0.85 0.00 0.00 174.74 173.86 1f9w s ASP 552 N -3.82 3.64 0.59 1.40 3.68 -1.11 -4.95 116.67 116.11 1f9w s ASP 552 Ca 0.56 -2.68 0.31 0.00 2.13 0.00 0.00 52.55 52.87 1f9w s ASP 552 Cb -0.11 -1.05 1.27 0.00 -1.45 0.00 0.00 42.92 41.59 1f9w s ASP 552 CO 0.47 -0.26 1.60 1.56 0.13 0.00 0.00 175.17 178.67 1f9w h GLN 553 N 6.65 0.00 0.00 4.34 7.50 -1.94 0.63 115.11 132.30 1f9w h GLN 553 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1f9w h GLN 553 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.45 1f9w h GLN 553 CO 0.49 0.00 0.00 0.39 -1.50 0.00 0.00 178.83 178.21 1f9w n GLU 554 N -3.57 0.00 0.21 1.46 1.02 -1.26 -4.18 120.64 114.31 1f9w n GLU 554 Ca 0.20 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 1f9w n GLU 554 Cb 1.24 -0.38 0.64 0.00 -0.02 0.00 0.00 31.44 32.92 1f9w n GLU 554 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1f9w h THR 555 N 0.00 0.00 -0.27 2.62 1.35 -1.99 -3.44 112.91 111.18 1f9w h THR 555 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.74 1f9w h THR 555 Cb 0.00 0.52 -0.05 0.00 -1.73 0.00 0.00 68.15 66.89 1f9w h THR 555 CO 0.00 0.00 -0.10 0.29 -0.25 0.00 0.00 175.52 175.46 1f9w n LYS 556 N -2.38 -0.76 0.00 4.72 4.01 0.22 -5.00 118.16 118.96 1f9w n LYS 556 Ca -0.02 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.37 1f9w n LYS 556 Cb 0.16 -4.40 0.00 0.00 -0.51 0.00 0.00 35.03 30.28 1f9w n LYS 556 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1f9w n THR 557 N -2.65 0.00 -3.26 -0.18 -2.24 -1.16 -4.79 114.28 99.99 1f9w n THR 557 Ca -0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1f9w n THR 557 Cb 0.28 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.54 1f9w n THR 557 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1f9w s THR 558 N -0.92 -0.53 0.50 4.28 2.01 -1.26 -2.74 115.64 116.98 1f9w s THR 558 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1f9w s THR 558 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.59 1f9w s THR 558 CO 0.00 0.00 0.65 0.41 -0.69 0.00 0.00 174.62 174.99 1f9w n THR 559 N 5.27 0.00 -3.59 -0.82 -1.04 -0.23 -4.93 114.28 108.94 1f9w n THR 559 Ca -0.07 -1.72 -0.14 0.00 -2.04 0.00 0.00 64.05 60.09 1f9w n THR 559 Cb 0.53 -0.51 -0.12 0.00 -1.82 0.00 0.00 70.33 68.41 1f9w n THR 559 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1f9w s ILE 560 N -2.17 -0.43 0.32 12.58 1.01 -1.26 -1.50 121.20 129.74 1f9w s ILE 560 Ca 0.49 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1f9w s ILE 560 Cb -0.04 -0.55 -0.13 0.00 0.01 0.00 0.00 42.46 41.75 1f9w s ILE 560 CO 0.31 0.02 1.28 0.35 0.00 0.00 0.00 174.94 176.90 1f9w n THR 561 N 5.35 1.83 -2.04 2.92 -2.24 -1.04 -2.68 114.28 116.37 1f9w n THR 561 Ca -0.06 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.11 1f9w n THR 561 Cb 0.50 -1.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1f9w n THR 561 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f9w n ASN 562 N 1.05 -4.35 -4.66 3.42 3.02 -1.26 -3.98 115.26 108.50 1f9w n ASN 562 Ca 0.06 0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 54.47 1f9w n ASN 562 Cb 0.35 -3.78 -0.09 0.00 -0.61 0.00 0.00 39.78 35.64 1f9w n ASN 562 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1f9w s VAL 563 N -2.57 5.34 0.13 2.41 1.01 -1.09 -4.98 120.40 120.64 1f9w s VAL 563 Ca 0.00 0.17 -0.33 0.00 0.00 0.00 0.00 61.98 61.82 1f9w s VAL 563 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 1f9w s VAL 563 CO 0.00 0.36 1.68 0.41 0.00 0.00 0.00 175.10 177.54 1f9w n THR 564 N 4.21 0.13 -3.95 3.92 -1.04 -1.26 -4.97 114.28 111.32 1f9w n THR 564 Ca -0.15 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.53 1f9w n THR 564 Cb 0.52 -1.73 -0.15 0.00 -1.82 0.00 0.00 70.33 67.15 1f9w n THR 564 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1f9w s SER 565 N 1.63 4.26 -0.03 8.00 0.15 -1.26 -4.37 113.70 122.09 1f9w s SER 565 Ca 0.81 -1.60 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 1f9w s SER 565 Cb -0.63 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1f9w s SER 565 CO 0.39 -0.30 0.73 0.00 1.20 0.00 0.00 173.24 175.26 1f9w s LYS 567 N 0.50 3.86 -1.27 0.00 2.20 -1.26 0.06 119.74 123.83 1f9w s LYS 567 Ca 0.38 1.15 -0.19 0.00 -0.36 0.00 0.00 55.97 56.96 1f9w s LYS 567 Cb -0.19 -3.90 0.06 0.00 -1.51 0.00 0.00 37.83 32.30 1f9w s LYS 567 CO 0.20 -1.20 1.72 -0.51 -0.36 0.00 0.00 175.35 175.21 1f9w s LEU 568 N 4.52 3.78 -0.16 5.43 1.43 0.11 -4.64 118.68 129.15 1f9w s LEU 568 Ca 0.56 -2.34 -0.16 0.00 -1.03 0.00 0.00 54.13 51.16 1f9w s LEU 568 Cb -0.15 -2.58 -0.23 0.00 0.03 0.00 0.00 46.19 43.26 1f9w s LEU 568 CO 0.25 -1.27 0.32 -0.33 0.23 0.00 0.00 176.35 175.55 1f9w h GLU 569 N 7.83 0.12 -5.85 1.70 5.08 -1.91 -3.42 114.58 118.13 1f9w h GLU 569 Ca 0.42 -0.20 -0.58 0.00 -1.00 0.00 0.00 59.36 57.99 1f9w h GLU 569 Cb 0.88 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.07 1f9w h GLU 569 CO 1.45 1.10 -0.69 -1.54 -1.00 0.00 0.00 179.01 178.33 1f9w s SER 570 N -6.93 3.45 0.11 1.42 1.04 -1.26 -5.02 113.70 106.51 1f9w s SER 570 Ca -0.25 -1.18 0.27 0.00 0.48 0.00 0.00 55.95 55.27 1f9w s SER 570 Cb 0.06 -0.29 1.00 0.00 0.10 0.00 0.00 66.02 66.88 1f9w s SER 570 CO 0.67 -0.21 1.82 -0.62 0.98 0.00 0.00 173.24 175.89 1f9w n GLU 571 N -0.71 0.13 -0.10 4.02 -0.58 -1.26 -2.72 120.64 119.41 1f9w n GLU 571 Ca -0.05 0.13 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 1f9w n GLU 571 Cb 0.63 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.81 1f9w n GLU 571 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1f9w h GLU 572 N 0.00 0.56 0.75 3.49 4.39 -1.98 -0.45 114.58 121.33 1f9w h GLU 572 Ca 0.00 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1f9w h GLU 572 Cb 0.59 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1f9w h GLU 572 CO 0.00 0.72 -0.36 1.98 -1.16 0.00 0.00 179.01 180.19 1f9w h MET 573 N 0.34 -0.97 -1.04 2.33 4.05 -1.91 -0.74 114.93 116.98 1f9w h MET 573 Ca 0.08 0.07 0.28 0.00 -0.28 0.00 0.00 59.70 59.85 1f9w h MET 573 Cb 0.49 0.22 -0.12 0.00 -0.80 0.00 0.00 31.60 31.39 1f9w h MET 573 CO 0.02 -0.65 0.63 0.28 0.23 0.00 0.00 176.91 177.43 1f9w h VAL 574 N -1.03 0.44 0.09 -5.77 2.07 -1.50 0.38 116.25 110.94 1f9w h VAL 574 Ca -0.10 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1f9w h VAL 574 Cb 0.78 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1f9w h VAL 574 CO 0.17 0.08 -0.04 -0.08 0.02 0.00 0.00 177.57 177.71 1f9w h GLU 575 N 0.43 -0.12 0.58 1.57 4.22 -0.39 0.11 114.58 120.98 1f9w h GLU 575 Ca 0.67 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 60.09 1f9w h GLU 575 Cb 1.52 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.80 1f9w h GLU 575 CO -0.45 0.02 -0.28 0.82 -2.18 0.00 0.00 179.01 176.94 1f9w h ILE 576 N -0.23 0.37 0.03 2.32 5.03 0.11 0.25 117.51 125.39 1f9w h ILE 576 Ca -0.01 -0.21 0.02 0.00 -0.12 0.00 0.00 64.86 64.53 1f9w h ILE 576 Cb 0.19 0.44 -0.05 0.00 -3.03 0.00 0.00 36.82 34.38 1f9w h ILE 576 CO 0.02 0.03 -0.50 0.40 -0.68 0.00 0.00 178.15 177.42 1f9w h ILE 577 N -0.93 0.00 -0.10 -0.67 2.04 -0.64 0.50 117.51 117.71 1f9w h ILE 577 Ca -0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1f9w h ILE 577 Cb 0.65 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 1f9w h ILE 577 CO 0.13 0.00 -0.38 -0.07 0.00 0.00 0.00 178.15 177.83 1f9w h LEU 578 N -0.65 -1.19 -0.28 1.44 -0.00 -0.77 0.78 115.31 114.64 1f9w h LEU 578 Ca 0.01 0.16 0.04 0.00 -0.00 0.00 0.00 57.88 58.09 1f9w h LEU 578 Cb 0.69 0.48 -0.07 0.00 -0.00 0.00 0.00 40.66 41.76 1f9w h LEU 578 CO -0.32 -0.41 -0.54 0.50 -0.00 0.00 0.00 178.44 177.68 1f9w h LYS 579 N -0.48 -0.46 -0.78 1.13 3.64 -0.08 0.08 116.57 119.63 1f9w h LYS 579 Ca 0.08 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1f9w h LYS 579 Cb 0.60 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.44 1f9w h LYS 579 CO -0.36 -0.31 0.36 -0.22 -2.27 0.00 0.00 179.45 176.65 1f9w h LYS 580 N -0.48 0.52 -0.90 1.90 3.64 0.95 -1.50 116.57 120.70 1f9w h LYS 580 Ca 0.06 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1f9w h LYS 580 Cb 0.63 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1f9w h LYS 580 CO -0.52 0.34 0.57 0.00 -2.27 0.00 0.00 179.45 177.57 1f9w h ALA 581 N 1.53 1.24 -0.15 5.00 0.00 0.24 -2.34 119.26 124.78 1f9w h ALA 581 Ca 0.42 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.10 1f9w h ALA 581 Cb 0.59 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1f9w h ALA 581 CO -0.36 0.34 -0.75 -0.97 0.00 0.00 0.00 179.25 177.51 1f9w h ASN 582 N 1.04 0.83 -0.08 0.00 -1.24 -0.17 -1.88 115.58 114.08 1f9w h ASN 582 Ca 0.39 -0.53 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1f9w h ASN 582 Cb 0.15 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1f9w h ASN 582 CO -0.17 1.32 0.04 0.11 -1.29 0.00 0.00 177.43 177.44 1f9w h LYS 583 N 0.48 0.13 -0.03 6.67 1.57 -1.18 -2.32 116.57 121.89 1f9w h LYS 583 Ca -0.04 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1f9w h LYS 583 Cb 1.36 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.65 1f9w h LYS 583 CO 0.15 0.12 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.44 1f9w h LEU 584 N 0.14 0.61 -3.62 2.94 3.38 -1.21 -3.36 115.31 114.18 1f9w h LEU 584 Ca 0.04 -0.72 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 1f9w h LEU 584 Cb 0.03 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 1f9w h LEU 584 CO -0.00 1.25 0.13 0.54 0.09 0.00 0.00 178.44 180.44 1f9w n ARG 585 N -4.17 4.08 -2.98 1.13 5.12 -0.73 -4.68 116.66 114.43 1f9w n ARG 585 Ca -0.10 -3.11 -0.11 0.00 -1.93 0.00 0.00 57.85 52.60 1f9w n ARG 585 Cb 0.68 -2.20 -0.03 0.00 -1.16 0.00 0.00 32.46 29.76 1f9w n ARG 585 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1f9w n SER 586 N 0.09 1.77 -0.44 0.55 7.64 -0.90 -4.81 113.62 117.51 1f9w n SER 586 Ca 0.34 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.37 1f9w n SER 586 Cb 1.26 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 1f9w n SER 586 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1f9w n THR 587 N -0.42 0.00 0.00 0.44 -1.04 -1.26 -5.01 114.28 106.99 1f9w n THR 587 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1f9w n THR 587 Cb 0.24 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1f9w n THR 587 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1f9w n HIS 595 N 0.00 0.00 0.30 -1.42 -0.00 -1.26 -5.21 115.22 107.63 1f9w n HIS 595 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 57.90 1f9w n HIS 595 Cb 0.00 0.00 0.95 0.00 -0.00 0.00 0.00 29.99 30.94 1f9w n HIS 595 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1f9w h SER 596 N 0.00 0.00 0.44 0.26 4.64 -1.94 0.21 113.55 117.17 1f9w h SER 596 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1f9w h SER 596 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1f9w h SER 596 CO 0.00 0.00 -1.01 -1.28 -0.87 0.00 0.00 176.83 173.67 1f9w h SER 597 N 0.00 0.47 -0.53 4.97 0.87 -1.94 -3.29 113.55 114.10 1f9w h SER 597 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1f9w h SER 597 Cb 0.23 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1f9w h SER 597 CO 0.00 1.23 0.00 0.54 -0.53 0.00 0.00 176.83 178.07 1f9w n ARG 598 N -3.68 4.37 -4.30 2.24 5.12 0.73 0.21 116.66 121.35 1f9w n ARG 598 Ca -0.07 -2.80 -0.19 0.00 -1.93 0.00 0.00 57.85 52.86 1f9w n ARG 598 Cb 0.88 -2.14 -0.08 0.00 -1.16 0.00 0.00 32.46 29.95 1f9w n ARG 598 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1f9w s SER 599 N -0.72 1.62 -0.30 0.55 1.04 -1.11 -4.61 113.70 110.17 1f9w s SER 599 Ca 0.49 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1f9w s SER 599 Cb 0.36 0.52 0.07 0.00 0.10 0.00 0.00 66.02 67.07 1f9w s SER 599 CO 0.16 -1.01 -0.01 -1.00 0.98 0.00 0.00 173.24 172.35 1f9w s HIS 600 N -3.51 3.36 0.20 5.02 3.76 -0.83 -1.33 115.29 121.96 1f9w s HIS 600 Ca 0.38 -2.23 -0.13 0.00 -0.15 0.00 0.00 55.06 52.94 1f9w s HIS 600 Cb 0.03 -2.26 -0.07 0.00 1.11 0.00 0.00 32.58 31.39 1f9w s HIS 600 CO 0.24 -0.86 0.59 -1.54 -0.85 0.00 0.00 174.74 172.31 1f9w s SER 601 N 1.21 6.76 -0.03 1.40 1.04 -0.58 0.13 113.70 123.63 1f9w s SER 601 Ca -0.03 1.07 -0.01 0.00 0.48 0.00 0.00 55.95 57.46 1f9w s SER 601 Cb -0.20 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.66 1f9w s SER 601 CO -0.04 -0.00 0.05 -0.63 0.98 0.00 0.00 173.24 173.60 1f9w s ILE 602 N -1.66 -0.09 -0.23 -1.02 1.09 0.25 -1.64 121.20 117.90 1f9w s ILE 602 Ca 0.44 0.34 -0.08 0.00 -1.10 0.00 0.00 60.65 60.25 1f9w s ILE 602 Cb -0.13 -0.13 -0.04 0.00 -1.06 0.00 0.00 42.46 41.11 1f9w s ILE 602 CO 0.20 0.14 0.08 0.12 -0.10 0.00 0.00 174.94 175.38 1f9w s PHE 603 N 1.71 3.16 -0.17 3.97 2.19 -0.64 -1.94 117.98 126.26 1f9w s PHE 603 Ca -0.01 -0.16 0.00 0.00 0.33 0.00 0.00 56.93 57.09 1f9w s PHE 603 Cb -0.12 -2.19 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 1f9w s PHE 603 CO -0.03 -0.13 -0.17 0.42 1.83 0.00 0.00 175.22 177.13 1f9w s ILE 604 N 1.15 2.34 -0.16 3.12 1.01 0.11 -0.63 121.20 128.14 1f9w s ILE 604 Ca 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1f9w s ILE 604 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1f9w s ILE 604 CO 0.04 0.52 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 1f9w s ILE 605 N 1.15 3.58 -0.39 2.92 1.09 -0.42 -1.08 121.20 128.05 1f9w s ILE 605 Ca 0.01 -0.47 -0.07 0.00 -1.10 0.00 0.00 60.65 59.03 1f9w s ILE 605 Cb -0.14 -2.56 0.07 0.00 -1.06 0.00 0.00 42.46 38.77 1f9w s ILE 605 CO -0.08 0.49 0.19 -1.00 -0.10 0.00 0.00 174.94 174.45 1f9w s HIS 606 N 0.50 3.35 -0.59 3.97 3.76 0.12 -2.04 115.29 124.36 1f9w s HIS 606 Ca -0.05 -1.64 -0.23 0.00 -0.15 0.00 0.00 55.06 52.98 1f9w s HIS 606 Cb -0.15 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 30.84 1f9w s HIS 606 CO 0.03 -0.83 0.94 -0.51 -0.85 0.00 0.00 174.74 173.53 1f9w s LEU 607 N 1.37 4.20 -0.33 0.89 1.43 0.82 -3.15 118.68 123.91 1f9w s LEU 607 Ca 0.02 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1f9w s LEU 607 Cb -0.22 -2.67 0.09 0.00 0.03 0.00 0.00 46.19 43.42 1f9w s LEU 607 CO 0.01 -1.30 0.03 -0.55 0.23 0.00 0.00 176.35 174.78 1f9w s SER 608 N 3.12 4.77 -0.13 2.29 0.15 -0.27 -0.68 113.70 122.95 1f9w s SER 608 Ca 0.27 -1.93 -0.00 0.00 0.70 0.00 0.00 55.95 54.99 1f9w s SER 608 Cb -0.14 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 62.55 1f9w s SER 608 CO 0.16 -0.35 -0.08 -0.83 1.20 0.00 0.00 173.24 173.33 1f9w s GLY 609 N 1.08 0.89 0.00 9.45 0.00 0.99 0.79 107.32 120.52 1f9w s GLY 609 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1f9w s GLY 609 CO -0.07 0.78 0.00 -1.14 0.00 0.00 0.00 173.10 172.67 1f9w n SER 610 N 4.91 0.00 0.00 1.64 3.41 -1.06 -1.61 113.62 120.91 1f9w n SER 610 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1f9w n SER 610 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1f9w n SER 610 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1f9w n ASN 611 N 0.00 0.00 -0.33 4.04 5.15 -1.26 -3.66 115.26 119.19 1f9w n ASN 611 Ca 0.00 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.02 1f9w n ASN 611 Cb 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 39.36 1f9w n ASN 611 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f9w n ALA 612 N 0.00 0.16 -0.14 5.20 0.00 -1.26 0.21 120.51 124.68 1f9w n ALA 612 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1f9w n ALA 612 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1f9w n ALA 612 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f9w n LYS 613 N -5.45 0.00 -0.18 0.00 4.01 -1.26 -3.04 118.16 112.24 1f9w n LYS 613 Ca 0.14 0.89 0.09 0.00 -0.51 0.00 0.00 58.31 58.92 1f9w n LYS 613 Cb 0.44 -1.43 0.19 0.00 -0.51 0.00 0.00 35.03 33.72 1f9w n LYS 613 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1f9w n THR 614 N -2.64 0.61 -0.82 -0.18 -1.04 -1.06 -4.96 114.28 104.19 1f9w n THR 614 Ca 0.00 -0.80 -0.04 0.00 -2.04 0.00 0.00 64.05 61.16 1f9w n THR 614 Cb 0.00 0.85 -0.02 0.00 -1.82 0.00 0.00 70.33 69.34 1f9w n THR 614 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1f9w n GLY 615 N 1.17 0.40 3.57 3.41 0.00 0.57 -4.80 105.19 109.52 1f9w n GLY 615 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1f9w n GLY 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f9w s ALA 616 N -1.06 1.14 0.16 4.61 0.00 -1.25 -4.73 121.76 120.63 1f9w s ALA 616 Ca 0.00 -1.46 -0.32 0.00 0.00 0.00 0.00 51.96 50.18 1f9w s ALA 616 Cb 0.00 -4.63 -0.11 0.00 0.00 0.00 0.00 23.12 18.38 1f9w s ALA 616 CO 0.00 -5.73 1.78 0.72 0.00 0.00 0.00 175.76 172.54 1f9w n HIS 617 N 16.72 2.66 -4.25 0.00 8.25 -1.26 -4.52 115.22 132.82 1f9w n HIS 617 Ca 0.43 -0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.61 1f9w n HIS 617 Cb 0.46 -2.70 -0.17 0.00 1.12 0.00 0.00 29.99 28.70 1f9w n HIS 617 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f9w s SER 618 N 2.02 1.52 0.00 0.41 0.15 -0.64 -5.00 113.70 112.17 1f9w s SER 618 Ca 0.79 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1f9w s SER 618 Cb -0.50 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.13 1f9w s SER 618 CO 0.35 -0.04 -0.13 -0.47 1.20 0.00 0.00 173.24 174.15 1f9w s TYR 619 N 1.03 1.19 -0.01 3.44 5.04 -1.25 -0.01 117.35 126.79 1f9w s TYR 619 Ca -0.09 -0.26 -0.28 0.00 -2.44 0.00 0.00 57.07 54.00 1f9w s TYR 619 Cb -0.14 -0.75 0.07 0.00 0.35 0.00 0.00 41.96 41.48 1f9w s TYR 619 CO -0.00 -0.00 0.64 0.20 -1.34 0.00 0.00 175.55 175.04 1f9w s GLY 620 N -0.56 -0.56 0.11 8.97 0.00 0.14 -4.20 107.32 111.22 1f9w s GLY 620 Ca 0.04 1.08 0.08 0.00 0.00 0.00 0.00 44.72 45.92 1f9w s GLY 620 CO 0.00 0.74 -0.19 -1.59 0.00 0.00 0.00 173.10 172.06 1f9w s THR 621 N -1.73 1.61 -0.06 0.90 2.01 -1.16 -0.12 115.64 117.09 1f9w s THR 621 Ca -0.09 -1.60 0.02 0.00 0.31 0.00 0.00 61.69 60.34 1f9w s THR 621 Cb -0.00 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1f9w s THR 621 CO 0.05 -0.17 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.94 1f9w s LEU 622 N -2.08 1.66 -0.23 4.42 1.02 -0.86 0.10 118.68 122.71 1f9w s LEU 622 Ca 0.07 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.96 1f9w s LEU 622 Cb -0.09 -0.79 0.05 0.00 0.02 0.00 0.00 46.19 45.39 1f9w s LEU 622 CO 0.04 0.04 -0.09 0.20 0.02 0.00 0.00 176.35 176.56 1f9w s ASN 623 N 0.58 3.88 -0.47 2.29 -0.87 0.40 -1.30 114.94 119.45 1f9w s ASN 623 Ca -0.12 -1.14 -0.14 0.00 -1.57 0.00 0.00 52.86 49.88 1f9w s ASN 623 Cb -0.15 -1.33 0.08 0.00 -0.02 0.00 0.00 41.25 39.83 1f9w s ASN 623 CO 0.03 -0.18 0.38 -0.76 -2.57 0.00 0.00 177.10 173.99 1f9w s LEU 624 N 1.29 5.57 -0.15 0.60 1.43 0.20 -0.69 118.68 126.93 1f9w s LEU 624 Ca -0.05 -1.38 -0.05 0.00 -1.03 0.00 0.00 54.13 51.62 1f9w s LEU 624 Cb -0.18 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1f9w s LEU 624 CO -0.07 -0.64 0.03 -0.69 0.23 0.00 0.00 176.35 175.22 1f9w s VAL 625 N 1.60 4.52 -0.53 -1.59 1.01 0.13 -1.61 120.40 123.92 1f9w s VAL 625 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1f9w s VAL 625 Cb -0.24 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1f9w s VAL 625 CO 0.06 0.52 0.36 -0.62 0.00 0.00 0.00 175.10 175.41 1f9w s ASP 626 N -0.06 5.40 0.86 3.32 -1.08 -0.65 -0.75 116.67 123.71 1f9w s ASP 626 Ca 0.05 -2.40 -0.10 0.00 -0.52 0.00 0.00 52.55 49.58 1f9w s ASP 626 Cb -0.12 -1.89 0.11 0.00 -1.46 0.00 0.00 42.92 39.55 1f9w s ASP 626 CO 0.02 -0.50 1.11 -0.76 0.52 0.00 0.00 175.17 175.56 1f9w s LEU 627 N 0.62 2.80 0.69 -1.34 1.43 -0.82 -1.53 118.68 120.53 1f9w s LEU 627 Ca 0.12 1.93 -0.10 0.00 -1.03 0.00 0.00 54.13 55.04 1f9w s LEU 627 Cb -0.22 -4.44 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1f9w s LEU 627 CO -0.04 -2.61 1.06 0.00 0.23 0.00 0.00 176.35 175.00 1f9w s ALA 628 N -2.79 2.96 -0.61 4.21 0.00 -0.44 -4.83 121.76 120.27 1f9w s ALA 628 Ca 0.64 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 1f9w s ALA 628 Cb -0.20 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1f9w s ALA 628 CO 0.57 -1.11 2.43 0.41 0.00 0.00 0.00 175.76 178.06 1f9w n GLY 629 N -2.95 0.05 0.00 0.00 0.00 0.58 -4.71 105.19 98.16 1f9w n GLY 629 Ca 0.07 0.92 0.05 0.00 0.00 0.00 0.00 46.02 47.06 1f9w n GLY 629 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1f9w n SER 630 N 12.01 0.00 -4.32 1.61 2.88 -1.18 -4.82 113.62 119.80 1f9w n SER 630 Ca 0.48 0.40 -0.38 0.00 -1.33 0.00 0.00 58.87 58.04 1f9w n SER 630 Cb 0.26 -0.44 0.03 0.00 -0.75 0.00 0.00 64.21 63.31 1f9w n SER 630 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1f9w n ALA 631 N -1.44 -2.52 -3.53 -1.46 0.00 -1.26 -4.74 120.51 105.57 1f9w n ALA 631 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1f9w n ALA 631 Cb 0.12 -1.57 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 1f9w n ALA 631 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1f9w s ARG 632 N -1.68 2.92 0.00 0.00 0.52 -1.26 -4.99 118.95 114.46 1f9w s ARG 632 Ca 0.60 -2.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1f9w s ARG 632 Cb -0.43 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.00 1f9w s ARG 632 CO 0.63 -1.23 0.00 -0.11 0.02 0.00 0.00 175.30 174.62 1f9w n LEU 643 N 4.08 0.00 -0.30 2.53 0.00 -1.26 -5.14 117.00 116.91 1f9w n LEU 643 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.13 1f9w n LEU 643 Cb 0.42 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.94 1f9w n LEU 643 CO 0.37 0.00 0.44 -1.14 0.00 0.00 0.00 177.39 177.05 1f9w n ARG 644 N 0.00 0.88 0.20 1.96 3.00 -1.26 -4.65 116.66 116.79 1f9w n ARG 644 Ca 0.00 -2.16 0.11 0.00 -0.00 0.00 0.00 57.85 55.80 1f9w n ARG 644 Cb 0.00 -1.15 0.59 0.00 0.00 0.00 0.00 32.46 31.90 1f9w n ARG 644 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1f9w h GLU 645 N 0.13 0.00 0.02 -0.14 4.11 -1.98 0.52 114.58 117.23 1f9w h GLU 645 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1f9w h GLU 645 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1f9w h GLU 645 CO 0.00 0.00 -0.01 1.15 0.07 0.00 0.00 179.01 180.23 1f9w h THR 646 N 0.00 1.10 -0.02 -1.06 2.02 -1.96 0.73 112.91 113.72 1f9w h THR 646 Ca 0.00 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1f9w h THR 646 Cb 0.31 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1f9w h THR 646 CO 0.00 0.09 -0.14 -0.61 0.37 0.00 0.00 175.52 175.23 1f9w h GLN 647 N -0.17 0.03 0.43 6.66 4.15 -1.28 -2.26 115.11 122.68 1f9w h GLN 647 Ca -0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1f9w h GLN 647 Cb 0.17 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1f9w h GLN 647 CO 0.00 0.18 -0.21 -0.97 -1.93 0.00 0.00 178.83 175.90 1f9w h ASN 648 N 0.03 -0.49 -0.63 -0.69 -1.24 -1.28 -0.99 115.58 110.29 1f9w h ASN 648 Ca 0.01 -0.10 0.10 0.00 0.71 0.00 0.00 56.30 57.01 1f9w h ASN 648 Cb 0.27 0.13 -0.08 0.00 0.73 0.00 0.00 38.32 39.38 1f9w h ASN 648 CO 0.02 -0.11 0.23 0.40 -1.29 0.00 0.00 177.43 176.69 1f9w h ILE 649 N -0.96 0.75 0.00 2.57 2.04 0.60 0.41 117.51 122.92 1f9w h ILE 649 Ca -0.06 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1f9w h ILE 649 Cb 0.57 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1f9w h ILE 649 CO 0.10 0.08 -0.18 0.78 0.00 0.00 0.00 178.15 178.92 1f9w h ASN 650 N 0.41 0.00 0.41 1.72 2.35 -1.43 0.13 115.58 119.18 1f9w h ASN 650 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 1f9w h ASN 650 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1f9w h ASN 650 CO -0.32 0.18 -0.20 0.50 -1.65 0.00 0.00 177.43 175.94 1f9w h LYS 651 N 0.00 -0.53 0.63 0.81 3.64 0.11 -1.84 116.57 119.38 1f9w h LYS 651 Ca -0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1f9w h LYS 651 Cb 0.48 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1f9w h LYS 651 CO 0.02 -0.30 -0.45 1.03 -2.27 0.00 0.00 179.45 177.48 1f9w h SER 652 N -1.10 -1.18 -0.41 4.20 0.87 -0.38 0.18 113.55 115.72 1f9w h SER 652 Ca -0.06 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.67 1f9w h SER 652 Cb 0.48 0.36 -0.09 0.00 -0.44 0.00 0.00 62.40 62.72 1f9w h SER 652 CO 0.09 -0.67 -0.24 -0.07 -0.53 0.00 0.00 176.83 175.41 1f9w h LEU 653 N -1.05 -0.81 -0.80 2.23 3.38 -1.11 0.34 115.31 117.49 1f9w h LEU 653 Ca -0.08 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1f9w h LEU 653 Cb 0.87 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1f9w h LEU 653 CO 0.04 -0.26 0.52 -1.28 0.09 0.00 0.00 178.44 177.55 1f9w h SER 654 N -0.16 0.93 0.27 -0.43 0.87 -1.19 0.49 113.55 114.31 1f9w h SER 654 Ca 0.20 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1f9w h SER 654 Cb 0.47 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1f9w h SER 654 CO -0.51 0.68 -0.24 0.00 -0.53 0.00 0.00 176.83 176.23 1f9w h LEU 656 N -0.52 0.02 -0.03 0.00 5.85 -0.00 0.37 115.31 120.99 1f9w h LEU 656 Ca -0.01 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1f9w h LEU 656 Cb 0.47 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1f9w h LEU 656 CO -0.03 -0.01 -0.41 1.23 -0.34 0.00 0.00 178.44 178.88 1f9w h GLY 657 N 0.27 -1.20 0.24 3.75 0.00 0.10 0.36 103.07 106.59 1f9w h GLY 657 Ca 0.37 0.66 0.16 0.00 0.00 0.00 0.00 47.33 48.52 1f9w h GLY 657 CO -0.46 -0.30 0.55 -0.55 0.00 0.00 0.00 176.54 175.77 1f9w h ASP 658 N -0.49 0.71 -0.33 0.19 3.32 0.56 0.44 116.42 120.82 1f9w h ASP 658 Ca 0.01 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1f9w h ASP 658 Cb 0.54 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1f9w h ASP 658 CO -0.29 0.30 -0.14 0.58 -1.72 0.00 0.00 179.24 177.97 1f9w h VAL 659 N 0.76 1.29 0.26 -1.35 2.07 0.72 -0.10 116.25 119.90 1f9w h VAL 659 Ca 0.52 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1f9w h VAL 659 Cb 0.71 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1f9w h VAL 659 CO -0.35 0.40 -0.13 0.40 0.02 0.00 0.00 177.57 177.92 1f9w h ILE 660 N 0.45 0.00 -0.27 4.57 1.08 0.40 -1.98 117.51 121.76 1f9w h ILE 660 Ca 0.08 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.56 1f9w h ILE 660 Cb 0.67 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 1f9w h ILE 660 CO 0.05 0.00 -0.16 1.57 -0.69 0.00 0.00 178.15 178.91 1f9w n HIS 661 N -2.99 -0.12 -0.34 1.37 -0.00 0.08 1.00 115.22 114.22 1f9w n HIS 661 Ca -0.04 0.34 0.28 0.00 -0.00 0.00 0.00 57.72 58.30 1f9w n HIS 661 Cb 0.14 -0.43 0.60 0.00 -0.00 0.00 0.00 29.99 30.30 1f9w n HIS 661 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1f9w h ALA 662 N -0.30 2.56 0.06 1.57 0.00 -1.03 0.16 119.26 122.28 1f9w h ALA 662 Ca 0.04 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1f9w h ALA 662 Cb 0.11 0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1f9w h ALA 662 CO -0.26 -0.98 -1.08 -0.07 0.00 0.00 0.00 179.25 176.86 1f9w h LEU 663 N 0.24 0.85 -1.52 0.00 3.38 0.14 -3.13 115.31 115.26 1f9w h LEU 663 Ca 0.61 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1f9w h LEU 663 Cb 1.87 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1f9w h LEU 663 CO -0.22 1.54 0.01 0.61 0.09 0.00 0.00 178.44 180.46 1f9w n GLY 664 N 1.24 1.78 3.81 0.83 0.00 0.52 -4.79 105.19 108.58 1f9w n GLY 664 Ca -0.12 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1f9w n GLY 664 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f9w s GLN 665 N -0.60 3.14 0.00 1.61 1.11 -0.92 -4.61 119.66 119.38 1f9w s GLN 665 Ca 0.01 -0.46 0.00 0.00 0.01 0.00 0.00 55.36 54.92 1f9w s GLN 665 Cb 0.01 -2.90 0.00 0.00 -1.01 0.00 0.00 33.01 29.11 1f9w s GLN 665 CO 0.00 0.65 0.24 -2.30 0.01 0.00 0.00 175.29 173.89 1f9w n PRO 666 N 1.08 0.00 -2.34 2.91 -0.02 -1.26 -3.45 135.00 131.93 1f9w n PRO 666 Ca -0.12 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 1f9w n PRO 666 Cb 0.53 -0.74 -0.03 0.00 -0.02 0.00 0.00 33.50 33.23 1f9w n PRO 666 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f9w s ASP 667 N -2.41 5.95 0.00 2.55 -1.08 -1.26 -4.14 116.67 116.28 1f9w s ASP 667 Ca 0.00 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 1f9w s ASP 667 Cb 0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1f9w s ASP 667 CO 0.00 -2.07 0.00 -1.54 0.52 0.00 0.00 175.17 172.08 1f9w n SER 668 N 11.20 4.12 0.22 -0.34 3.41 -1.22 -3.87 113.62 127.13 1f9w n SER 668 Ca 0.43 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1f9w n SER 668 Cb 0.47 0.57 0.79 0.00 -0.26 0.00 0.00 64.21 65.79 1f9w n SER 668 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1f9w h THR 669 N 0.00 0.64 -0.01 6.66 1.03 -1.84 0.20 112.91 119.58 1f9w h THR 669 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1f9w h THR 669 Cb 0.50 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1f9w h THR 669 CO 0.00 0.00 -0.06 0.29 -0.01 0.00 0.00 175.52 175.74 1f9w n LYS 670 N -4.05 1.07 -3.44 0.00 4.76 -1.26 -4.98 118.16 110.25 1f9w n LYS 670 Ca 0.00 -1.15 -0.36 0.00 -2.87 0.00 0.00 58.31 53.94 1f9w n LYS 670 Cb 0.24 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1f9w n LYS 670 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1f9w s ARG 671 N -1.20 3.92 -0.61 1.97 6.06 0.69 -5.04 118.95 124.74 1f9w s ARG 671 Ca 0.14 0.40 -0.24 0.00 -2.50 0.00 0.00 55.73 53.53 1f9w s ARG 671 Cb 0.11 -3.03 0.05 0.00 0.06 0.00 0.00 34.95 32.14 1f9w s ARG 671 CO 0.20 0.56 0.97 -1.01 -2.50 0.00 0.00 175.30 173.51 1f9w s HIS 672 N -1.35 2.71 -0.14 5.12 3.76 -1.26 -4.87 115.29 119.27 1f9w s HIS 672 Ca 0.33 -0.23 -0.20 0.00 -0.15 0.00 0.00 55.06 54.81 1f9w s HIS 672 Cb -0.15 -4.19 -0.03 0.00 1.11 0.00 0.00 32.58 29.31 1f9w s HIS 672 CO 0.18 -1.52 0.58 0.42 -0.85 0.00 0.00 174.74 173.55 1f9w s ILE 673 N 4.11 5.10 -1.45 0.60 1.01 -1.26 -4.99 121.20 124.31 1f9w s ILE 673 Ca 0.27 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.95 1f9w s ILE 673 Cb -0.14 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.46 1f9w s ILE 673 CO 0.15 0.23 2.36 -0.81 0.00 0.00 0.00 174.94 176.88 1f9w n PRO 674 N 4.20 3.41 -0.23 2.79 -0.04 -1.26 -4.76 135.00 139.11 1f9w n PRO 674 Ca -0.04 -2.78 -0.04 0.00 -0.04 0.00 0.00 63.50 60.61 1f9w n PRO 674 Cb 0.51 -3.02 0.07 0.00 -0.04 0.00 0.00 33.50 31.02 1f9w n PRO 674 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1f9w h PHE 675 N 5.54 0.75 0.00 0.54 0.04 -1.94 -2.60 116.94 119.27 1f9w h PHE 675 Ca 0.63 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.42 1f9w h PHE 675 Cb 0.51 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1f9w h PHE 675 CO 1.54 0.42 0.00 2.89 -0.60 0.00 0.00 178.31 182.56 1f9w n ARG 676 N -4.71 0.61 0.00 1.51 1.85 -1.26 -0.52 116.66 114.14 1f9w n ARG 676 Ca 0.07 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 1f9w n ARG 676 Cb 0.10 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1f9w n ARG 676 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1f9w n ASN 677 N -1.15 0.88 -3.65 2.89 4.13 -0.98 -4.64 115.26 112.74 1f9w n ASN 677 Ca 0.16 -1.51 -0.01 0.00 1.68 0.00 0.00 54.58 54.91 1f9w n ASN 677 Cb 0.15 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 37.95 1f9w n ASN 677 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1f9w s SER 678 N -0.14 -0.06 0.50 6.41 0.15 -1.25 -4.94 113.70 114.38 1f9w s SER 678 Ca 0.00 0.10 0.16 0.00 0.70 0.00 0.00 55.95 56.91 1f9w s SER 678 Cb 0.00 0.47 1.21 0.00 -1.71 0.00 0.00 66.02 65.99 1f9w s SER 678 CO 0.00 -0.02 2.11 0.50 1.20 0.00 0.00 173.24 177.03 1f9w h LYS 679 N 3.93 0.00 0.13 5.44 1.63 -1.87 -1.58 116.57 124.24 1f9w h LYS 679 Ca -0.27 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 1f9w h LYS 679 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1f9w h LYS 679 CO 0.20 0.05 -0.06 1.25 -3.45 0.00 0.00 179.45 177.44 1f9w h LEU 680 N 0.00 -0.14 -0.41 5.20 5.85 -1.95 -0.88 115.31 122.98 1f9w h LEU 680 Ca -0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1f9w h LEU 680 Cb 0.10 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1f9w h LEU 680 CO 0.01 -0.03 -0.05 0.71 -0.34 0.00 0.00 178.44 178.73 1f9w h THR 681 N -0.31 0.64 -0.74 1.05 1.35 -1.78 0.34 112.91 113.46 1f9w h THR 681 Ca -0.02 -0.02 0.10 0.00 -0.55 0.00 0.00 66.41 65.93 1f9w h THR 681 Cb 0.13 0.58 -0.07 0.00 -1.73 0.00 0.00 68.15 67.06 1f9w h THR 681 CO 0.03 0.01 0.37 0.22 -0.25 0.00 0.00 175.52 175.90 1f9w h TYR 682 N 0.05 0.66 -0.59 4.73 3.20 0.25 0.37 116.97 125.64 1f9w h TYR 682 Ca 0.20 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.19 1f9w h TYR 682 Cb 0.30 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 1f9w h TYR 682 CO -0.32 0.23 0.23 1.25 -1.64 0.00 0.00 178.16 177.92 1f9w h LEU 683 N 0.62 0.25 -3.07 2.82 6.46 0.11 -2.68 115.31 119.83 1f9w h LEU 683 Ca 0.37 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1f9w h LEU 683 Cb 0.40 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1f9w h LEU 683 CO -0.28 0.16 0.00 0.18 -0.62 0.00 0.00 178.44 177.87 1f9w n LEU 684 N -4.98 4.51 -0.22 2.25 4.77 -0.41 -4.62 117.00 118.29 1f9w n LEU 684 Ca 0.08 -2.37 0.30 0.00 -0.03 0.00 0.00 56.01 53.99 1f9w n LEU 684 Cb 0.25 -0.54 0.73 0.00 -2.33 0.00 0.00 43.42 41.52 1f9w n LEU 684 CO 0.23 0.83 1.28 0.06 -1.33 0.00 0.00 177.39 178.47 1f9w h GLN 685 N 3.92 0.01 0.00 3.23 3.07 0.06 -0.20 115.11 125.20 1f9w h GLN 685 Ca 0.00 -0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 1f9w h GLN 685 Cb 1.34 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.86 1f9w h GLN 685 CO 0.18 0.01 -1.27 1.88 0.09 0.00 0.00 178.83 179.72 1f9w h TYR 686 N 0.01 0.00 -0.74 0.06 0.05 -1.83 -3.08 116.97 111.46 1f9w h TYR 686 Ca 0.47 -0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.89 1f9w h TYR 686 Cb 1.86 -0.00 -0.21 0.00 1.01 0.00 0.00 36.73 39.39 1f9w h TYR 686 CO -0.00 1.00 0.45 0.43 -1.05 0.00 0.00 178.16 178.99 1f9w n SER 687 N -3.24 3.72 0.00 3.88 7.64 -0.15 -3.46 113.62 122.01 1f9w n SER 687 Ca -0.06 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1f9w n SER 687 Cb 0.98 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1f9w n SER 687 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f9w n LEU 688 N -0.63 0.05 -4.35 -3.43 4.77 -0.80 -4.33 117.00 108.28 1f9w n LEU 688 Ca 0.44 -0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1f9w n LEU 688 Cb 1.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.35 1f9w n LEU 688 CO 0.45 0.01 -0.24 0.42 -1.33 0.00 0.00 177.39 176.70 1f9w s THR 689 N -0.05 0.60 0.00 -5.08 -4.23 -1.17 -4.87 115.64 100.84 1f9w s THR 689 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1f9w s THR 689 Cb 0.00 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1f9w s THR 689 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1f9w n GLY 690 N -0.53 4.24 3.24 3.99 0.00 -1.26 -3.14 105.19 111.73 1f9w n GLY 690 Ca -0.00 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1f9w n GLY 690 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1f9w n ASP 691 N 8.31 5.59 -4.37 1.61 3.85 -1.26 -3.88 116.55 126.40 1f9w n ASP 691 Ca 0.00 -3.11 -0.19 0.00 -0.71 0.00 0.00 54.79 50.77 1f9w n ASP 691 Cb 0.00 -1.42 -0.10 0.00 -1.35 0.00 0.00 41.12 38.25 1f9w n ASP 691 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1f9w s SER 692 N 0.99 2.71 -0.15 -1.12 0.01 -1.19 -3.74 113.70 111.21 1f9w s SER 692 Ca 0.35 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.57 1f9w s SER 692 Cb -0.03 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1f9w s SER 692 CO -0.01 -0.18 -0.17 -0.54 0.41 0.00 0.00 173.24 172.75 1f9w s LYS 693 N -3.64 2.57 -0.02 12.44 3.01 0.13 -2.49 119.74 131.73 1f9w s LYS 693 Ca 0.24 -0.67 0.08 0.00 -1.01 0.00 0.00 55.97 54.61 1f9w s LYS 693 Cb -0.00 -2.25 -0.02 0.00 -1.01 0.00 0.00 37.83 34.55 1f9w s LYS 693 CO 0.09 -0.18 -0.25 0.99 0.51 0.00 0.00 175.35 176.51 1f9w s THR 694 N 1.27 2.00 -0.06 2.17 2.01 -0.98 0.17 115.64 122.23 1f9w s THR 694 Ca 0.02 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1f9w s THR 694 Cb -0.13 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1f9w s THR 694 CO -0.09 0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 1f9w s LEU 695 N -0.60 0.95 -0.16 4.42 1.43 0.40 -2.18 118.68 122.93 1f9w s LEU 695 Ca 0.10 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1f9w s LEU 695 Cb -0.10 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1f9w s LEU 695 CO -0.01 -0.13 -0.02 -0.32 0.23 0.00 0.00 176.35 176.10 1f9w s MET 696 N 1.45 3.69 -0.22 1.70 -2.45 -0.02 0.93 119.30 124.37 1f9w s MET 696 Ca -0.03 -0.50 -0.02 0.00 -1.25 0.00 0.00 55.69 53.89 1f9w s MET 696 Cb -0.13 -2.96 0.01 0.00 1.25 0.00 0.00 34.83 33.00 1f9w s MET 696 CO -0.03 0.22 -0.09 -0.06 1.05 0.00 0.00 175.02 176.11 1f9w s PHE 697 N 0.43 2.96 -0.55 4.11 0.08 0.43 -0.34 117.98 125.10 1f9w s PHE 697 Ca -0.03 -1.37 -0.15 0.00 0.12 0.00 0.00 56.93 55.50 1f9w s PHE 697 Cb -0.14 -2.04 0.14 0.00 -0.57 0.00 0.00 43.02 40.41 1f9w s PHE 697 CO 0.03 -0.69 0.50 0.08 -0.10 0.00 0.00 175.22 175.04 1f9w s VAL 698 N 1.37 5.08 -0.21 -0.44 1.01 0.37 0.58 120.40 128.16 1f9w s VAL 698 Ca 0.03 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.11 1f9w s VAL 698 Cb -0.15 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1f9w s VAL 698 CO -0.06 -0.87 0.99 0.20 0.00 0.00 0.00 175.10 175.36 1f9w s ASN 699 N 3.34 7.07 0.19 3.32 -0.87 0.38 -0.73 114.94 127.64 1f9w s ASN 699 Ca 0.05 1.33 0.06 0.00 -1.57 0.00 0.00 52.86 52.73 1f9w s ASN 699 Cb -0.28 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.25 38.38 1f9w s ASN 699 CO 0.02 -0.59 -0.11 0.27 -2.57 0.00 0.00 177.10 174.11 1f9w s ILE 700 N 2.88 1.46 0.17 0.60 -4.36 -0.21 -4.27 121.20 117.48 1f9w s ILE 700 Ca 0.43 -2.14 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1f9w s ILE 700 Cb -0.16 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1f9w s ILE 700 CO 0.09 -0.62 0.19 -0.55 0.24 0.00 0.00 174.94 174.28 1f9w s SER 701 N -3.26 5.74 0.18 4.36 0.15 -1.26 -2.89 113.70 116.72 1f9w s SER 701 Ca 0.21 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.02 1f9w s SER 701 Cb 0.01 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1f9w s SER 701 CO 0.05 0.05 1.04 -0.81 1.20 0.00 0.00 173.24 174.77 1f9w n PRO 702 N -0.53 0.56 -1.65 5.44 -0.04 -1.26 -4.91 135.00 132.61 1f9w n PRO 702 Ca -0.08 0.10 -0.46 0.00 -0.04 0.00 0.00 63.50 63.02 1f9w n PRO 702 Cb 0.55 -1.79 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1f9w n PRO 702 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f9w n SER 703 N -2.56 3.59 0.18 3.54 2.88 -1.26 -4.61 113.62 115.37 1f9w n SER 703 Ca 0.00 0.79 0.09 0.00 -1.33 0.00 0.00 58.87 58.42 1f9w n SER 703 Cb 0.53 -1.45 0.46 0.00 -0.75 0.00 0.00 64.21 63.00 1f9w n SER 703 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f9w h SER 704 N 10.82 0.00 0.00 -3.46 4.64 -1.71 0.12 113.55 123.96 1f9w h SER 704 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1f9w h SER 704 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1f9w h SER 704 CO 0.95 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.37 1f9w n SER 705 N -2.18 0.51 -0.27 4.97 3.41 -1.26 -2.83 113.62 115.96 1f9w n SER 705 Ca -0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1f9w n SER 705 Cb 0.27 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1f9w n SER 705 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f9w n HIS 706 N -0.23 0.00 0.29 7.33 -0.00 0.03 -4.88 115.22 117.76 1f9w n HIS 706 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.88 1f9w n HIS 706 Cb 0.13 0.06 0.86 0.00 -0.00 0.00 0.00 29.99 31.04 1f9w n HIS 706 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1f9w h ILE 707 N 4.72 0.37 0.20 1.59 1.08 -1.61 0.16 117.51 124.01 1f9w h ILE 707 Ca 0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1f9w h ILE 707 Cb 1.13 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1f9w h ILE 707 CO 0.00 0.06 -0.10 0.78 -0.69 0.00 0.00 178.15 178.20 1f9w h ASN 708 N 0.00 -0.23 0.90 1.72 -0.26 -1.90 -1.68 115.58 114.13 1f9w h ASN 708 Ca -0.00 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1f9w h ASN 708 Cb 0.23 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1f9w h ASN 708 CO 0.01 0.28 0.00 1.21 -1.06 0.00 0.00 177.43 177.87 1f9w n GLU 709 N -4.97 0.10 -0.07 0.81 0.00 -1.11 -3.21 120.64 112.19 1f9w n GLU 709 Ca -0.08 0.21 -0.14 0.00 0.00 0.00 0.00 57.16 57.15 1f9w n GLU 709 Cb 0.26 -1.65 -0.13 0.00 0.00 0.00 0.00 31.44 29.92 1f9w n GLU 709 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1f9w h THR 710 N 0.00 1.71 -1.04 6.31 2.02 -0.64 -3.04 112.91 118.24 1f9w h THR 710 Ca 0.00 -2.32 0.26 0.00 0.77 0.00 0.00 66.41 65.12 1f9w h THR 710 Cb 0.45 3.27 -0.09 0.00 -1.74 0.00 0.00 68.15 70.03 1f9w h THR 710 CO 0.00 0.58 0.67 -0.07 0.37 0.00 0.00 175.52 177.06 1f9w h LEU 711 N -1.00 0.45 -0.14 2.58 3.38 -1.27 0.20 115.31 119.51 1f9w h LEU 711 Ca -0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1f9w h LEU 711 Cb 1.01 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1f9w h LEU 711 CO -0.02 0.09 0.07 0.78 0.09 0.00 0.00 178.44 179.45 1f9w h ASN 712 N 0.40 0.19 0.15 -0.43 2.35 -1.60 0.26 115.58 116.91 1f9w h ASN 712 Ca 0.59 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.21 1f9w h ASN 712 Cb 1.49 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1f9w h ASN 712 CO -0.30 0.26 -0.07 0.28 -1.65 0.00 0.00 177.43 175.95 1f9w h SER 713 N 0.10 -0.17 0.01 5.81 0.02 -0.54 0.41 113.55 119.18 1f9w h SER 713 Ca 0.05 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1f9w h SER 713 Cb 0.13 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1f9w h SER 713 CO -0.01 -0.03 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.58 1f9w h LEU 714 N -0.31 0.00 -0.28 5.07 3.38 -1.16 0.13 115.31 122.14 1f9w h LEU 714 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1f9w h LEU 714 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1f9w h LEU 714 CO 0.03 0.01 -0.73 0.03 0.09 0.00 0.00 178.44 177.88 1f9w h ARG 715 N 0.00 0.00 0.69 1.13 3.08 0.23 -0.33 114.38 119.18 1f9w h ARG 715 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1f9w h ARG 715 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.08 1f9w h ARG 715 CO 0.00 0.73 -0.33 0.35 -1.07 0.00 0.00 179.97 179.65 1f9w h PHE 716 N 0.00 -0.86 0.75 3.04 3.04 0.25 -2.89 116.94 120.27 1f9w h PHE 716 Ca -0.01 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 1f9w h PHE 716 Cb 1.43 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 40.22 1f9w h PHE 716 CO 0.00 -0.53 -0.50 0.00 -2.02 0.00 0.00 178.31 175.25 1f9w h ALA 717 N -1.39 -1.26 -0.79 2.41 0.00 -1.45 -0.19 119.26 116.60 1f9w h ALA 717 Ca -0.09 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.70 1f9w h ALA 717 Cb 0.71 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 1f9w h ALA 717 CO 0.16 -1.23 -0.28 -1.13 0.00 0.00 0.00 179.25 176.77 1f9w n SER 718 N -5.62 -0.45 -0.01 0.00 3.41 -0.14 0.69 113.62 111.50 1f9w n SER 718 Ca -0.14 1.37 -0.13 0.00 -0.26 0.00 0.00 58.87 59.71 1f9w n SER 718 Cb 0.50 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 1f9w n SER 718 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1f9w h LYS 719 N 0.00 -0.05 -1.00 4.33 2.10 -1.38 -3.21 116.57 117.37 1f9w h LYS 719 Ca 0.30 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 59.17 1f9w h LYS 719 Cb 0.50 0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 31.74 1f9w h LYS 719 CO -0.79 0.56 0.62 0.28 -2.00 0.00 0.00 179.45 178.12 1f9w h VAL 720 N -0.70 0.64 -2.84 0.07 2.07 0.95 -3.30 116.25 113.14 1f9w h VAL 720 Ca -0.00 -0.21 -0.61 0.00 0.82 0.00 0.00 66.70 66.69 1f9w h VAL 720 Cb 0.63 -0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.25 1f9w h VAL 720 CO 0.01 0.11 0.60 0.21 0.02 0.00 0.00 177.57 178.52 1f9w s ASN 721 N -5.40 6.24 0.00 0.57 3.04 0.22 -3.72 114.94 115.89 1f9w s ASN 721 Ca -0.10 -0.68 0.00 0.00 0.04 0.00 0.00 52.86 52.11 1f9w s ASN 721 Cb 0.25 -2.44 0.00 0.00 -1.54 0.00 0.00 41.25 37.52 1f9w s ASN 721 CO 0.80 -1.40 0.00 -0.24 -3.04 0.00 0.00 177.10 173.22