#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fax s GLN 384 N 0.00 1.15 -0.05 1.45 -0.21 -1.26 -4.91 119.66 115.82 3fax s GLN 384 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.04 3fax s GLN 384 Cb 0.00 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 3fax s GLN 384 CO 0.00 0.32 1.18 -1.17 -2.12 0.00 0.00 175.29 173.50 3fax s LEU 385 N -1.61 4.28 -0.09 2.90 2.96 -1.26 -1.96 118.68 123.89 3fax s LEU 385 Ca 0.05 1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 55.68 3fax s LEU 385 Cb -0.09 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3fax s LEU 385 CO 0.03 -0.56 -0.16 0.29 -1.32 0.00 0.00 176.35 174.63 3fax n LYS 386 N 5.09 0.28 -4.35 1.98 5.02 0.74 -4.95 118.16 121.97 3fax n LYS 386 Ca 0.11 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.44 3fax n LYS 386 Cb 0.46 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 3fax n LYS 386 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fax s ASP 387 N -4.94 1.58 -0.27 4.39 -1.08 -0.97 -4.95 116.67 110.43 3fax s ASP 387 Ca -0.13 -1.50 -0.20 0.00 -0.52 0.00 0.00 52.55 50.19 3fax s ASP 387 Cb 0.02 0.30 0.07 0.00 -1.46 0.00 0.00 42.92 41.85 3fax s ASP 387 CO 0.19 -0.83 0.69 0.00 0.52 0.00 0.00 175.17 175.74 3fax s ALA 388 N -3.60 -1.77 -0.04 3.66 0.00 -1.26 -1.19 121.76 117.55 3fax s ALA 388 Ca 0.35 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.46 3fax s ALA 388 Cb 0.06 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.95 3fax s ALA 388 CO 0.16 -0.35 -0.01 -0.65 0.00 0.00 0.00 175.76 174.91 3fax s GLN 389 N 0.93 0.51 -0.14 0.00 -0.21 0.11 -2.17 119.66 118.71 3fax s GLN 389 Ca -0.04 0.03 -0.29 0.00 0.02 0.00 0.00 55.36 55.08 3fax s GLN 389 Cb -0.05 -0.68 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 3fax s GLN 389 CO -0.08 -0.15 1.00 -1.14 -2.12 0.00 0.00 175.29 172.79 3fax s GLN 390 N 1.19 4.38 -0.16 2.91 0.74 0.01 0.13 119.66 128.86 3fax s GLN 390 Ca -0.07 1.35 0.14 0.00 0.05 0.00 0.00 55.36 56.83 3fax s GLN 390 Cb -0.14 -3.56 -0.20 0.00 1.10 0.00 0.00 33.01 30.21 3fax s GLN 390 CO -0.02 -0.38 0.05 0.25 -0.55 0.00 0.00 175.29 174.65 3fax n THR 391 N 4.72 1.13 -3.63 -0.34 -2.24 -0.05 -2.33 114.28 111.54 3fax n THR 391 Ca 0.09 -0.69 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 3fax n THR 391 Cb 0.48 -0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3fax n THR 391 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3fax n ASP 392 N -2.62 -0.98 -0.32 3.42 5.68 -1.16 -4.33 116.55 116.25 3fax n ASP 392 Ca -0.27 -1.93 0.31 0.00 -0.50 0.00 0.00 54.79 52.40 3fax n ASP 392 Cb 1.03 1.70 0.68 0.00 -1.14 0.00 0.00 41.12 43.40 3fax n ASP 392 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3fax h LEU 393 N 0.00 0.13 -2.75 -2.12 4.07 -1.96 -2.63 115.31 110.05 3fax h LEU 393 Ca -0.16 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 3fax h LEU 393 Cb 0.65 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 42.30 3fax h LEU 393 CO 0.21 0.02 -0.52 0.35 -1.08 0.00 0.00 178.44 177.42 3fax n THR 394 N -4.32 1.02 -3.67 0.22 -2.24 -1.26 -2.77 114.28 101.26 3fax n THR 394 Ca 0.25 -1.64 -0.20 0.00 -2.27 0.00 0.00 64.05 60.20 3fax n THR 394 Cb 1.13 0.26 -0.18 0.00 -2.10 0.00 0.00 70.33 69.44 3fax n THR 394 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fax s SER 395 N -2.28 1.15 -0.07 3.42 0.01 -0.99 -2.62 113.70 112.31 3fax s SER 395 Ca 0.26 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.64 3fax s SER 395 Cb 0.26 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.35 3fax s SER 395 CO -0.05 -0.25 -0.20 -0.63 0.41 0.00 0.00 173.24 172.51 3fax s ILE 396 N 2.17 2.50 -0.33 1.44 1.01 -0.11 -0.87 121.20 127.01 3fax s ILE 396 Ca 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3fax s ILE 396 Cb -0.12 -1.96 0.04 0.00 0.01 0.00 0.00 42.46 40.43 3fax s ILE 396 CO -0.03 0.56 0.08 -1.58 0.00 0.00 0.00 174.94 173.97 3fax s GLN 397 N -0.15 2.56 -0.27 2.79 0.74 0.12 0.06 119.66 125.51 3fax s GLN 397 Ca -0.03 -1.21 -0.10 0.00 0.05 0.00 0.00 55.36 54.07 3fax s GLN 397 Cb -0.14 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 3fax s GLN 397 CO 0.04 -0.66 0.15 0.00 -0.55 0.00 0.00 175.29 174.27 3fax s ALA 398 N 1.36 3.43 0.01 1.58 0.00 -0.08 -0.71 121.76 127.34 3fax s ALA 398 Ca -0.03 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 3fax s ALA 398 Cb -0.20 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 3fax s ALA 398 CO 0.02 -0.51 0.65 -1.12 0.00 0.00 0.00 175.76 174.79 3fax s SER 399 N 1.68 7.04 0.33 0.00 0.01 -0.33 -1.14 113.70 121.28 3fax s SER 399 Ca 0.07 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.65 3fax s SER 399 Cb -0.16 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.61 3fax s SER 399 CO 0.09 0.07 -0.06 -0.36 0.41 0.00 0.00 173.24 173.38 3fax s PHE 400 N -0.10 2.23 0.17 2.43 0.08 0.18 -0.18 117.98 122.80 3fax s PHE 400 Ca 0.33 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.69 3fax s PHE 400 Cb -0.19 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 3fax s PHE 400 CO 0.19 0.43 1.55 1.79 -0.10 0.00 0.00 175.22 179.07 3fax h THR 401 N 2.09 1.27 -2.29 0.64 1.35 -1.66 -3.45 112.91 110.86 3fax h THR 401 Ca -0.41 -1.47 0.04 0.00 -0.55 0.00 0.00 66.41 64.02 3fax h THR 401 Cb 1.24 1.29 -0.16 0.00 -1.73 0.00 0.00 68.15 68.79 3fax h THR 401 CO 0.70 0.49 0.38 0.28 -0.25 0.00 0.00 175.52 177.12 3fax s THR 402 N -4.50 0.00 -0.05 6.82 -1.32 -1.26 -4.97 115.64 110.35 3fax s THR 402 Ca -0.10 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.45 3fax s THR 402 Cb 0.12 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.23 3fax s THR 402 CO 0.86 0.00 1.00 0.18 -2.21 0.00 0.00 174.62 174.46 3fax n LEU 403 N 0.09 1.67 -4.71 9.08 4.77 -1.26 -4.68 117.00 121.95 3fax n LEU 403 Ca -0.13 -2.09 -0.42 0.00 -0.03 0.00 0.00 56.01 53.34 3fax n LEU 403 Cb 0.61 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3fax n LEU 403 CO 0.14 0.50 1.10 -1.81 -1.33 0.00 0.00 177.39 175.99 3fax s ASP 404 N -1.64 6.79 0.00 -1.43 -0.00 -1.26 -3.26 116.67 115.87 3fax s ASP 404 Ca 0.13 2.34 0.00 0.00 -0.00 0.00 0.00 52.55 55.02 3fax s ASP 404 Cb 0.11 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 3fax s ASP 404 CO 0.01 -0.69 0.00 0.61 -0.00 0.00 0.00 175.17 175.10 3fax n GLY 405 N 3.57 1.47 3.86 0.21 0.00 -1.26 -5.00 105.19 108.04 3fax n GLY 405 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3fax n GLY 405 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fax s VAL 406 N -3.50 5.27 0.31 1.61 1.01 -1.20 -5.11 120.40 118.78 3fax s VAL 406 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.96 3fax s VAL 406 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3fax s VAL 406 CO 0.00 0.44 0.35 -0.62 0.00 0.00 0.00 175.10 175.27 3fax s ASP 407 N -1.55 5.72 0.31 3.32 2.15 -1.26 -5.00 116.67 120.36 3fax s ASP 407 Ca 0.22 -0.26 -0.00 0.00 0.43 0.00 0.00 52.55 52.93 3fax s ASP 407 Cb -0.12 -1.27 0.49 0.00 -0.30 0.00 0.00 42.92 41.72 3fax s ASP 407 CO 0.12 -0.28 1.92 0.50 -0.17 0.00 0.00 175.17 177.26 3fax h LYS 408 N 1.16 0.89 -0.34 4.34 3.64 -1.99 -2.02 116.57 122.25 3fax h LYS 408 Ca -0.47 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 58.66 3fax h LYS 408 Cb 1.25 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3fax h LYS 408 CO 0.57 0.67 -0.38 1.15 -2.27 0.00 0.00 179.45 179.20 3fax h THR 409 N 0.89 1.28 -0.08 1.00 2.02 -1.99 -1.97 112.91 114.07 3fax h THR 409 Ca 0.22 -1.55 -0.13 0.00 0.77 0.00 0.00 66.41 65.73 3fax h THR 409 Cb 0.06 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3fax h THR 409 CO -0.03 0.51 -0.52 -0.33 0.37 0.00 0.00 175.52 175.52 3fax h GLU 410 N 0.65 0.21 -0.02 6.66 4.39 -1.93 -2.84 114.58 121.70 3fax h GLU 410 Ca 0.05 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3fax h GLU 410 Cb 0.97 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3fax h GLU 410 CO 0.09 0.68 -0.12 0.82 -1.16 0.00 0.00 179.01 179.33 3fax h ILE 411 N 0.17 1.51 -0.78 3.13 2.04 -1.34 -3.04 117.51 119.19 3fax h ILE 411 Ca 0.00 -1.67 0.19 0.00 1.00 0.00 0.00 64.86 64.39 3fax h ILE 411 Cb 0.97 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.56 3fax h ILE 411 CO 0.08 0.45 0.54 -0.07 0.00 0.00 0.00 178.15 179.14 3fax h LEU 412 N -0.51 0.23 0.83 1.44 3.38 -1.39 0.27 115.31 119.56 3fax h LEU 412 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fax h LEU 412 Cb 0.79 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.53 3fax h LEU 412 CO 0.02 0.11 -0.40 0.50 0.09 0.00 0.00 178.44 178.76 3fax h LYS 413 N 0.24 -1.08 0.01 1.13 3.64 -1.46 -3.34 116.57 115.72 3fax h LYS 413 Ca 0.39 0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.65 3fax h LYS 413 Cb 1.16 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3fax h LYS 413 CO -0.09 -0.72 -0.92 1.49 -2.27 0.00 0.00 179.45 176.94 3fax h GLU 414 N -1.14 0.03 -6.62 1.90 4.57 -1.29 -3.45 114.58 108.59 3fax h GLU 414 Ca -0.11 -0.05 -0.53 0.00 -1.18 0.00 0.00 59.36 57.49 3fax h GLU 414 Cb 0.86 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3fax h GLU 414 CO 0.19 0.93 0.62 -1.17 -1.18 0.00 0.00 179.01 178.39 3fax s LEU 415 N -7.00 4.41 -0.08 1.64 2.96 0.88 -4.53 118.68 116.95 3fax s LEU 415 Ca -0.00 2.27 -0.07 0.00 -0.22 0.00 0.00 54.13 56.11 3fax s LEU 415 Cb 0.10 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.22 3fax s LEU 415 CO 0.81 -0.49 0.21 -0.54 -1.32 0.00 0.00 176.35 175.02 3fax s LYS 416 N 0.27 0.23 -0.06 1.98 1.02 -1.06 -4.87 119.74 117.26 3fax s LYS 416 Ca 0.57 0.34 0.02 0.00 0.02 0.00 0.00 55.97 56.92 3fax s LYS 416 Cb -0.34 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 3fax s LYS 416 CO 0.35 -0.06 -0.10 0.08 -0.92 0.00 0.00 175.35 174.70 3fax s VAL 417 N 0.37 3.43 0.05 3.17 1.01 -1.26 -1.04 120.40 126.13 3fax s VAL 417 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3fax s VAL 417 Cb -0.04 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3fax s VAL 417 CO -0.02 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.67 3fax s THR 418 N -0.79 0.77 0.67 3.92 2.01 -1.05 -1.32 115.64 119.85 3fax s THR 418 Ca 0.12 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3fax s THR 418 Cb -0.11 -0.79 0.12 0.00 0.01 0.00 0.00 72.50 71.73 3fax s THR 418 CO 0.01 -0.29 0.93 1.51 -0.69 0.00 0.00 174.62 176.09 3fax s ASP 419 N -1.57 4.58 0.00 3.53 -4.77 -0.22 -1.86 116.67 116.36 3fax s ASP 419 Ca -0.06 -0.54 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 3fax s ASP 419 Cb -0.10 0.11 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 3fax s ASP 419 CO 0.01 -1.71 0.05 1.17 0.70 0.00 0.00 175.17 175.39 3fax n LYS 420 N -2.65 0.00 0.00 2.11 4.81 -0.64 -4.32 118.16 117.48 3fax n LYS 420 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3fax n LYS 420 Cb 0.61 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.41 3fax n LYS 420 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fax n GLN 422 N -0.12 4.31 -2.34 1.64 10.64 -1.26 -5.02 117.38 125.24 3fax n GLN 422 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 3fax n GLN 422 Cb 0.05 -0.43 -0.02 0.00 -0.86 0.00 0.00 30.24 28.98 3fax n GLN 422 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3fax s ASN 423 N -0.16 6.22 0.11 2.61 0.01 -1.26 -4.92 114.94 117.55 3fax s ASN 423 Ca 0.00 2.19 -0.30 0.00 -0.71 0.00 0.00 52.86 54.04 3fax s ASN 423 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 3fax s ASN 423 CO 0.00 -0.88 1.03 0.00 -1.51 0.00 0.00 177.10 175.74 3fax s ALA 424 N -1.65 3.29 -0.10 0.60 0.00 -1.26 -1.06 121.76 121.58 3fax s ALA 424 Ca 0.64 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 3fax s ALA 424 Cb -0.25 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3fax s ALA 424 CO 0.30 -0.15 0.21 0.42 0.00 0.00 0.00 175.76 176.55 3fax s ILE 425 N 0.15 5.38 -0.03 0.00 -1.09 -0.44 -4.93 121.20 120.25 3fax s ILE 425 Ca 0.49 0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 58.99 3fax s ILE 425 Cb -0.25 -3.49 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 3fax s ILE 425 CO 0.31 0.59 1.62 -1.10 -1.23 0.00 0.00 174.94 175.13 3fax s GLN 426 N -0.91 4.20 -0.41 2.79 -0.21 -1.26 -4.55 119.66 119.30 3fax s GLN 426 Ca 0.17 2.18 -0.23 0.00 0.02 0.00 0.00 55.36 57.50 3fax s GLN 426 Cb -0.13 -3.88 0.02 0.00 1.00 0.00 0.00 33.01 30.02 3fax s GLN 426 CO 0.06 -0.80 0.76 -1.50 -2.12 0.00 0.00 175.29 171.69 3fax s ILE 427 N 3.63 4.71 0.02 1.08 2.07 -1.26 -4.46 121.20 127.00 3fax s ILE 427 Ca 0.72 0.55 -0.15 0.00 -1.41 0.00 0.00 60.65 60.36 3fax s ILE 427 Cb -0.34 -4.25 -0.35 0.00 0.13 0.00 0.00 42.46 37.65 3fax s ILE 427 CO 0.29 -0.58 0.97 -1.28 -1.91 0.00 0.00 174.94 172.44 3fax h SER 428 N 8.77 0.83 -4.23 4.50 0.87 -1.00 -3.48 113.55 119.81 3fax h SER 428 Ca -0.25 -0.91 0.20 0.00 -1.23 0.00 0.00 61.79 59.60 3fax h SER 428 Cb 1.09 -0.27 -0.19 0.00 -0.44 0.00 0.00 62.40 62.59 3fax h SER 428 CO 0.93 1.72 0.72 -0.62 -0.53 0.00 0.00 176.83 179.04 3fax s ASP 429 N -7.56 -0.21 0.09 6.23 2.15 -1.20 -4.98 116.67 111.18 3fax s ASP 429 Ca -0.09 0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.01 3fax s ASP 429 Cb 0.04 0.21 -0.03 0.00 -0.30 0.00 0.00 42.92 42.84 3fax s ASP 429 CO 0.94 -0.32 -0.19 0.27 -0.17 0.00 0.00 175.17 175.70 3fax s ILE 430 N -2.31 1.58 -0.06 4.11 -4.36 -1.26 -1.26 121.20 117.64 3fax s ILE 430 Ca 0.07 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 3fax s ILE 430 Cb -0.01 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.28 3fax s ILE 430 CO -0.05 -0.06 -0.11 -0.89 0.24 0.00 0.00 174.94 174.07 3fax s THR 431 N -1.13 1.02 -0.06 8.37 2.01 -0.29 -4.97 115.64 120.59 3fax s THR 431 Ca 0.05 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 3fax s THR 431 Cb -0.10 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3fax s THR 431 CO 0.04 0.33 0.63 -0.76 -0.69 0.00 0.00 174.62 174.17 3fax s LEU 432 N 0.75 4.34 -0.71 4.42 1.02 -1.26 -0.89 118.68 126.35 3fax s LEU 432 Ca -0.13 1.12 -0.04 0.00 0.02 0.00 0.00 54.13 55.10 3fax s LEU 432 Cb -0.15 -2.97 0.18 0.00 0.02 0.00 0.00 46.19 43.26 3fax s LEU 432 CO 0.03 -0.03 0.56 -0.62 0.02 0.00 0.00 176.35 176.30 3fax s ASP 433 N 0.47 5.58 0.37 2.29 -1.08 0.08 -4.95 116.67 119.43 3fax s ASP 433 Ca 0.34 -3.03 0.04 0.00 -0.52 0.00 0.00 52.55 49.38 3fax s ASP 433 Cb -0.17 -1.91 0.71 0.00 -1.46 0.00 0.00 42.92 40.08 3fax s ASP 433 CO 0.17 -0.35 2.00 0.00 0.52 0.00 0.00 175.17 177.51 3fax h THR 434 N 4.94 1.15 0.11 1.71 1.03 -1.94 0.86 112.91 120.76 3fax h THR 434 Ca 0.04 -0.35 0.01 0.00 -0.01 0.00 0.00 66.41 66.10 3fax h THR 434 Cb 0.93 0.46 -0.02 0.00 -1.07 0.00 0.00 68.15 68.46 3fax h THR 434 CO 0.74 0.16 -0.14 -1.28 -0.01 0.00 0.00 175.52 174.99 3fax h SER 435 N 0.69 -0.38 0.08 0.00 0.87 -1.96 -3.01 113.55 109.84 3fax h SER 435 Ca 0.18 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3fax h SER 435 Cb -0.00 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3fax h SER 435 CO -0.03 -0.21 -0.10 1.17 -0.53 0.00 0.00 176.83 177.13 3fax n LYS 436 N -5.26 1.35 -3.50 2.24 4.81 -0.99 -4.96 118.16 111.85 3fax n LYS 436 Ca -0.07 -0.80 -0.20 0.00 -0.87 0.00 0.00 58.31 56.37 3fax n LYS 436 Cb 0.18 -1.48 0.06 0.00 0.02 0.00 0.00 35.03 33.81 3fax n LYS 436 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3fax n SER 437 N -0.13 -3.96 -3.77 3.14 7.64 0.25 -4.85 113.62 111.94 3fax n SER 437 Ca 0.16 -0.79 -0.13 0.00 1.01 0.00 0.00 58.87 59.13 3fax n SER 437 Cb 0.36 -4.50 -0.09 0.00 -1.01 0.00 0.00 64.21 58.96 3fax n SER 437 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3fax s LEU 438 N -6.15 0.87 -0.12 -3.43 0.05 -0.91 -0.64 118.68 108.35 3fax s LEU 438 Ca 0.25 0.26 -0.14 0.00 0.05 0.00 0.00 54.13 54.55 3fax s LEU 438 Cb -0.05 1.17 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 3fax s LEU 438 CO 0.78 -0.33 0.31 -0.76 -0.55 0.00 0.00 176.35 175.81 3fax s LEU 439 N -0.83 4.31 -0.32 1.48 1.02 -0.29 -0.74 118.68 123.31 3fax s LEU 439 Ca -0.09 0.62 -0.16 0.00 0.02 0.00 0.00 54.13 54.52 3fax s LEU 439 Cb -0.04 -2.40 -0.02 0.00 0.02 0.00 0.00 46.19 43.74 3fax s LEU 439 CO 0.03 0.17 0.41 -0.63 0.02 0.00 0.00 176.35 176.35 3fax s ILE 440 N -0.01 5.12 -0.20 -0.59 1.09 -0.07 -0.90 121.20 125.64 3fax s ILE 440 Ca 0.18 0.30 -0.07 0.00 -1.10 0.00 0.00 60.65 59.96 3fax s ILE 440 Cb -0.14 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 3fax s ILE 440 CO 0.06 -0.05 0.07 -0.63 -0.10 0.00 0.00 174.94 174.29 3fax s ILE 441 N 2.15 4.65 -0.13 2.92 1.01 0.11 -1.14 121.20 130.76 3fax s ILE 441 Ca 0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 3fax s ILE 441 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3fax s ILE 441 CO 0.12 0.42 0.05 -0.54 0.00 0.00 0.00 174.94 174.99 3fax s LYS 442 N 0.74 3.47 0.03 2.79 -0.14 -0.39 -0.93 119.74 125.32 3fax s LYS 442 Ca 0.03 -0.33 -0.26 0.00 -1.36 0.00 0.00 55.97 54.05 3fax s LYS 442 Cb -0.13 -3.03 0.09 0.00 -1.68 0.00 0.00 37.83 33.07 3fax s LYS 442 CO 0.02 0.54 1.20 0.41 -0.76 0.00 0.00 175.35 176.76 3fax n GLY 443 N 2.68 0.32 3.49 -3.33 0.00 -1.08 -0.26 105.19 107.01 3fax n GLY 443 Ca -0.18 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3fax n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fax s ASP 444 N -3.70 6.85 -1.07 1.61 -1.08 -1.26 -4.21 116.67 113.81 3fax s ASP 444 Ca 0.28 -2.48 -0.03 0.00 -0.52 0.00 0.00 52.55 49.80 3fax s ASP 444 Cb -0.01 -2.45 0.30 0.00 -1.46 0.00 0.00 42.92 39.30 3fax s ASP 444 CO 0.01 -0.98 1.76 0.49 0.52 0.00 0.00 175.17 176.97 3fax n PHE 445 N 6.68 2.59 -1.87 -5.34 0.99 -1.11 -4.97 117.46 114.42 3fax n PHE 445 Ca 0.35 -2.59 -0.42 0.00 -0.00 0.00 0.00 57.45 54.79 3fax n PHE 445 Cb 0.46 -1.28 -0.03 0.00 -1.00 0.00 0.00 39.48 37.63 3fax n PHE 445 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3fax s ASN 446 N -1.30 6.56 0.29 4.37 2.47 -1.26 -4.74 114.94 121.32 3fax s ASN 446 Ca 0.38 2.55 0.02 0.00 0.42 0.00 0.00 52.86 56.22 3fax s ASN 446 Cb 0.14 -2.56 0.71 0.00 -1.45 0.00 0.00 41.25 38.09 3fax s ASN 446 CO -0.05 -0.92 1.63 -0.65 -3.72 0.00 0.00 177.10 173.39 3fax h PRO 447 N 8.48 0.14 0.00 0.43 0.11 -1.89 -1.46 132.00 137.81 3fax h PRO 447 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fax h PRO 447 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fax h PRO 447 CO 0.93 0.09 0.00 0.87 -0.21 0.00 0.00 178.00 179.69 3fax h LYS 448 N 0.15 0.00 -2.00 1.05 1.57 -2.03 -2.55 116.57 112.75 3fax h LYS 448 Ca 0.56 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.23 3fax h LYS 448 Cb 1.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 3fax h LYS 448 CO -0.71 0.00 -0.22 1.04 -0.57 0.00 0.00 179.45 178.98 3fax n GLN 449 N -2.37 1.58 -0.22 3.15 1.13 -0.55 -4.97 117.38 115.12 3fax n GLN 449 Ca 0.01 -0.58 0.03 0.00 -1.94 0.00 0.00 57.00 54.53 3fax n GLN 449 Cb 0.22 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 3fax n GLN 449 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fax n GLY 450 N 2.07 -0.70 3.81 1.08 0.00 -0.96 -1.62 105.19 108.87 3fax n GLY 450 Ca 0.25 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3fax n GLY 450 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fax s HIS 451 N -0.44 3.13 0.23 1.61 3.76 -1.26 -4.59 115.29 117.72 3fax s HIS 451 Ca 0.00 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 56.47 3fax s HIS 451 Cb 0.00 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 3fax s HIS 451 CO 0.00 -0.66 0.40 -0.06 -0.85 0.00 0.00 174.74 173.58 3fax s PHE 452 N -2.21 3.48 -0.03 1.40 0.08 -1.26 -3.05 117.98 116.39 3fax s PHE 452 Ca 0.64 0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.99 3fax s PHE 452 Cb -0.14 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 3fax s PHE 452 CO 0.23 0.36 -0.12 0.54 -0.10 0.00 0.00 175.22 176.12 3fax s ASN 453 N -3.46 1.60 -0.16 1.36 4.22 -0.77 0.14 114.94 117.87 3fax s ASN 453 Ca 0.38 -0.25 -0.07 0.00 -2.14 0.00 0.00 52.86 50.77 3fax s ASN 453 Cb -0.10 -0.40 -0.04 0.00 1.28 0.00 0.00 41.25 41.99 3fax s ASN 453 CO 0.30 0.11 0.09 -0.63 -2.04 0.00 0.00 177.10 174.93 3fax s ILE 454 N 0.07 5.05 -0.11 0.54 -1.09 0.19 -2.54 121.20 123.32 3fax s ILE 454 Ca -0.02 0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 3fax s ILE 454 Cb -0.09 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.50 3fax s ILE 454 CO 0.01 0.51 0.03 -0.44 -1.23 0.00 0.00 174.94 173.82 3fax s SER 455 N -0.09 5.46 -0.12 3.58 0.01 -0.20 -1.91 113.70 120.43 3fax s SER 455 Ca 0.08 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 3fax s SER 455 Cb -0.12 -1.66 0.07 0.00 0.21 0.00 0.00 66.02 64.52 3fax s SER 455 CO 0.01 0.34 0.68 -0.47 0.41 0.00 0.00 173.24 174.21 3fax s TYR 456 N -0.67 -0.68 0.00 2.43 5.04 -1.26 -2.55 117.35 119.65 3fax s TYR 456 Ca 0.11 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3fax s TYR 456 Cb -0.12 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.55 3fax s TYR 456 CO 0.02 -0.53 0.00 0.09 -1.34 0.00 0.00 175.55 173.80 3fax n ASN 457 N 1.50 0.00 -4.45 4.32 4.13 -1.26 -4.63 115.26 114.87 3fax n ASN 457 Ca -0.17 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.69 3fax n ASN 457 Cb 0.56 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.83 3fax n ASN 457 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3fax n ASN 459 N 0.18 -1.14 -4.60 6.41 0.23 -1.26 -5.12 115.26 109.96 3fax n ASN 459 Ca 0.00 0.79 -0.26 0.00 -0.53 0.00 0.00 54.58 54.58 3fax n ASN 459 Cb 0.00 -1.13 -0.09 0.00 -2.08 0.00 0.00 39.78 36.48 3fax n ASN 459 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 3fax s ASN 460 N -1.07 4.38 -0.05 0.53 -0.87 -1.26 -4.62 114.94 111.97 3fax s ASN 460 Ca 0.66 -0.59 -0.02 0.00 -1.57 0.00 0.00 52.86 51.34 3fax s ASN 460 Cb -0.50 -0.78 0.04 0.00 -0.02 0.00 0.00 41.25 39.99 3fax s ASN 460 CO 0.57 0.07 0.09 0.54 -2.57 0.00 0.00 177.10 175.80 3fax s VAL 461 N -1.91 -0.13 0.22 1.60 0.11 -0.80 -4.94 120.40 114.56 3fax s VAL 461 Ca 0.27 0.33 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 3fax s VAL 461 Cb -0.08 -0.18 -0.09 0.00 -1.53 0.00 0.00 36.38 34.50 3fax s VAL 461 CO 0.17 0.14 1.29 -0.89 -3.33 0.00 0.00 175.10 172.48 3fax s THR 462 N 1.82 3.16 0.42 5.04 2.01 -1.26 -0.63 115.64 126.21 3fax s THR 462 Ca -0.00 1.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.76 3fax s THR 462 Cb -0.12 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 3fax s THR 462 CO -0.04 0.17 1.06 0.42 -0.69 0.00 0.00 174.62 175.54 3fax s THR 463 N -0.15 3.65 0.10 -0.82 -4.23 0.38 -4.68 115.64 109.89 3fax s THR 463 Ca 0.55 1.21 0.06 0.00 -1.18 0.00 0.00 61.69 62.33 3fax s THR 463 Cb -0.37 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 3fax s THR 463 CO 0.40 -0.04 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.78 3fax s ARG 464 N -2.66 2.26 -0.00 3.99 3.52 -0.92 -4.60 118.95 120.54 3fax s ARG 464 Ca 0.60 -0.97 -0.27 0.00 -0.13 0.00 0.00 55.73 54.96 3fax s ARG 464 Cb -0.22 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 3fax s ARG 464 CO 0.27 0.52 0.86 -0.65 -0.81 0.00 0.00 175.30 175.49 3fax s GLN 465 N -2.25 4.53 0.66 5.12 -0.21 -1.26 -0.81 119.66 125.45 3fax s GLN 465 Ca 0.23 1.21 -0.14 0.00 0.02 0.00 0.00 55.36 56.68 3fax s GLN 465 Cb -0.11 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.47 3fax s GLN 465 CO 0.15 0.06 1.10 -1.54 -2.12 0.00 0.00 175.29 172.94 3fax s SER 466 N 0.67 5.16 0.38 5.90 1.04 -0.98 -4.77 113.70 121.11 3fax s SER 466 Ca 0.45 1.93 0.06 0.00 0.48 0.00 0.00 55.95 58.86 3fax s SER 466 Cb -0.20 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 64.14 3fax s SER 466 CO 0.25 -1.59 2.01 4.11 0.98 0.00 0.00 173.24 179.00 3fax h TRP 467 N -0.08 0.58 -0.71 5.02 5.08 -1.93 0.18 115.95 124.09 3fax h TRP 467 Ca -0.46 -0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.46 3fax h TRP 467 Cb 1.24 -0.19 -0.03 0.00 -3.00 0.00 0.00 29.16 27.18 3fax h TRP 467 CO 0.56 0.40 0.27 0.93 -1.28 0.00 0.00 178.44 179.32 3fax h GLU 468 N 0.61 1.06 -0.19 0.12 3.07 -1.93 -0.74 114.58 116.57 3fax h GLU 468 Ca 0.16 -0.19 -0.17 0.00 -0.50 0.00 0.00 59.36 58.66 3fax h GLU 468 Cb 0.01 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3fax h GLU 468 CO -0.03 0.87 -0.53 0.35 -1.40 0.00 0.00 179.01 178.27 3fax h PHE 469 N 1.03 0.90 -0.98 4.33 3.57 -1.18 -1.65 116.94 122.95 3fax h PHE 469 Ca 0.24 -0.36 0.04 0.00 3.53 0.00 0.00 57.97 61.42 3fax h PHE 469 Cb 0.22 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3fax h PHE 469 CO 0.02 1.15 0.64 0.87 -2.23 0.00 0.00 178.31 178.76 3fax h LYS 470 N 0.39 1.20 -0.43 1.11 1.57 -0.61 -1.04 116.57 118.76 3fax h LYS 470 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3fax h LYS 470 Cb 1.15 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3fax h LYS 470 CO 0.11 0.80 0.23 -0.44 -0.57 0.00 0.00 179.45 179.58 3fax h ASP 471 N 1.24 0.55 -0.80 0.86 3.32 -1.05 0.42 116.42 120.97 3fax h ASP 471 Ca 0.39 -0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.42 3fax h ASP 471 Cb -0.00 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.34 3fax h ASP 471 CO -0.12 0.49 0.46 -0.61 -1.72 0.00 0.00 179.24 177.74 3fax h GLN 472 N 0.56 0.78 0.01 3.56 4.15 -0.50 -0.63 115.11 123.05 3fax h GLN 472 Ca 0.15 -0.05 -0.31 0.00 0.77 0.00 0.00 58.65 59.22 3fax h GLN 472 Cb 0.07 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.54 3fax h GLN 472 CO -0.02 0.51 -1.81 1.28 -1.93 0.00 0.00 178.83 176.86 3fax n LEU 473 N -4.73 1.02 0.00 -2.39 4.77 -0.47 -4.65 117.00 110.54 3fax n LEU 473 Ca 0.12 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3fax n LEU 473 Cb 0.24 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3fax n LEU 473 CO 0.28 0.46 0.11 -1.22 -1.33 0.00 0.00 177.39 175.69 3fax n TYR 474 N -3.07 0.00 -1.67 -1.77 4.01 0.15 -4.68 117.16 110.12 3fax n TYR 474 Ca -0.20 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.08 3fax n TYR 474 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.05 3fax n TYR 474 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fax n ALA 475 N -0.29 1.17 -2.54 -0.72 0.00 -0.25 -4.74 120.51 113.14 3fax n ALA 475 Ca 0.00 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3fax n ALA 475 Cb 0.04 -2.58 -0.13 0.00 0.00 0.00 0.00 19.45 16.78 3fax n ALA 475 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3fax s TYR 476 N 4.30 2.78 -0.42 0.00 5.04 -1.26 -5.02 117.35 122.76 3fax s TYR 476 Ca 0.91 -0.12 0.18 0.00 -2.44 0.00 0.00 57.07 55.60 3fax s TYR 476 Cb -0.58 -1.66 -0.24 0.00 0.35 0.00 0.00 41.96 39.82 3fax s TYR 476 CO 0.48 0.21 0.57 0.43 -1.34 0.00 0.00 175.55 175.90 3fax n SER 477 N 2.34 0.84 -4.16 4.32 7.64 -1.26 -4.99 113.62 118.35 3fax n SER 477 Ca -0.17 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 58.96 3fax n SER 477 Cb 0.52 1.42 0.19 0.00 -1.01 0.00 0.00 64.21 65.33 3fax n SER 477 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fax s GLY 478 N -3.39 1.74 0.33 0.23 0.00 -1.26 -4.99 107.32 99.98 3fax s GLY 478 Ca -0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 3fax s GLY 478 CO 0.74 -0.36 1.39 -2.01 0.00 0.00 0.00 173.10 172.86 3fax n ASN 479 N -3.86 3.14 -4.37 1.64 5.15 -1.26 -5.03 115.26 110.67 3fax n ASN 479 Ca 0.14 1.20 -0.20 0.00 -0.60 0.00 0.00 54.58 55.12 3fax n ASN 479 Cb 0.60 -1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 38.22 3fax n ASN 479 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fax s LEU 480 N -1.10 2.53 0.00 1.20 1.43 -1.26 -4.85 118.68 116.63 3fax s LEU 480 Ca 0.57 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3fax s LEU 480 Cb -0.55 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3fax s LEU 480 CO 0.60 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.70 3fax n GLY 481 N -0.24 -1.82 3.23 -3.19 0.00 -1.04 -4.91 105.19 97.21 3fax n GLY 481 Ca -0.09 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 3fax n GLY 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fax s ALA 482 N -1.82 2.36 -0.18 4.61 0.00 -1.26 -0.08 121.76 125.39 3fax s ALA 482 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3fax s ALA 482 Cb 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.06 3fax s ALA 482 CO 0.00 0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.68 3fax s VAL 483 N 0.73 1.99 0.29 0.00 1.01 0.09 -4.86 120.40 119.66 3fax s VAL 483 Ca -0.08 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 3fax s VAL 483 Cb -0.16 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 3fax s VAL 483 CO 0.01 0.51 0.98 -0.76 0.00 0.00 0.00 175.10 175.83 3fax s LEU 484 N 1.31 4.47 1.00 3.92 1.02 -1.26 -1.11 118.68 128.03 3fax s LEU 484 Ca 0.05 1.96 -0.16 0.00 0.02 0.00 0.00 54.13 55.99 3fax s LEU 484 Cb -0.13 -3.82 0.21 0.00 0.02 0.00 0.00 46.19 42.46 3fax s LEU 484 CO -0.12 -0.03 1.27 0.54 0.02 0.00 0.00 176.35 178.02 3fax s ASN 485 N -1.34 2.77 0.25 2.29 4.22 -1.07 -4.94 114.94 117.11 3fax s ASN 485 Ca 0.47 0.40 -0.05 0.00 -2.14 0.00 0.00 52.86 51.53 3fax s ASN 485 Cb -0.24 -0.53 0.33 0.00 1.28 0.00 0.00 41.25 42.10 3fax s ASN 485 CO 0.30 -2.96 1.87 -0.61 -2.04 0.00 0.00 177.10 173.66 3fax h GLN 486 N -1.79 1.03 -0.66 3.55 4.15 -1.98 -2.54 115.11 116.86 3fax h GLN 486 Ca -0.45 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3fax h GLN 486 Cb 1.26 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3fax h GLN 486 CO 0.40 0.68 0.00 -0.40 -1.93 0.00 0.00 178.83 177.58 3fax n ASP 487 N -4.57 3.81 -0.21 -0.69 5.75 -1.26 -4.95 116.55 114.44 3fax n ASP 487 Ca 0.13 -2.00 -0.03 0.00 -0.01 0.00 0.00 54.79 52.88 3fax n ASP 487 Cb 0.15 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 3fax n ASP 487 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fax n GLY 488 N 1.53 0.46 0.16 6.12 0.00 -0.96 -4.87 105.19 107.63 3fax n GLY 488 Ca 0.23 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3fax n GLY 488 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fax h SER 489 N 0.00 0.00 -3.72 1.61 4.64 -1.84 0.06 113.55 114.30 3fax h SER 489 Ca -0.06 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.89 3fax h SER 489 Cb 0.61 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.56 3fax h SER 489 CO 0.08 0.48 -0.71 -0.54 -0.87 0.00 0.00 176.83 175.27 3fax s LYS 490 N -3.27 1.19 -0.03 4.77 1.02 -1.26 -4.42 119.74 117.75 3fax s LYS 490 Ca 0.02 -1.54 0.02 0.00 0.02 0.00 0.00 55.97 54.49 3fax s LYS 490 Cb 0.09 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 3fax s LYS 490 CO 0.72 0.07 -0.06 0.08 -0.92 0.00 0.00 175.35 175.24 3fax s VAL 491 N -3.25 0.60 -0.35 3.17 1.01 -0.59 -2.61 120.40 118.38 3fax s VAL 491 Ca 0.21 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 3fax s VAL 491 Cb 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 3fax s VAL 491 CO 0.04 0.20 0.28 -1.61 0.00 0.00 0.00 175.10 174.02 3fax s GLU 492 N 0.35 3.41 -0.12 2.72 8.01 -0.26 -0.80 118.70 132.00 3fax s GLU 492 Ca -0.05 -0.66 0.02 0.00 0.01 0.00 0.00 54.97 54.30 3fax s GLU 492 Cb -0.09 -3.84 -0.00 0.00 -4.31 0.00 0.00 34.13 25.89 3fax s GLU 492 CO 0.00 -0.52 -0.21 0.00 0.01 0.00 0.00 175.26 174.54 3fax s ALA 493 N 1.79 2.31 0.03 5.21 0.00 -0.58 -0.73 121.76 129.79 3fax s ALA 493 Ca 0.07 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.11 3fax s ALA 493 Cb -0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3fax s ALA 493 CO 0.11 0.18 -0.21 -1.12 0.00 0.00 0.00 175.76 174.71 3fax s SER 494 N 0.50 2.52 -0.06 0.00 0.01 0.88 -1.83 113.70 115.72 3fax s SER 494 Ca -0.13 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 3fax s SER 494 Cb -0.17 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.87 3fax s SER 494 CO 0.05 0.18 0.15 -0.22 0.41 0.00 0.00 173.24 173.82 3fax s LEU 495 N -1.07 0.97 -0.32 2.44 2.96 0.34 -2.49 118.68 121.52 3fax s LEU 495 Ca 0.08 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.12 3fax s LEU 495 Cb -0.09 0.45 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 3fax s LEU 495 CO 0.01 -0.11 0.52 0.86 -1.32 0.00 0.00 176.35 176.31 3fax s TRP 496 N 0.76 3.21 -0.49 5.38 -0.00 -1.26 0.80 118.94 127.33 3fax s TRP 496 Ca -0.06 0.36 0.05 0.00 -0.00 0.00 0.00 56.10 56.45 3fax s TRP 496 Cb -0.07 -2.85 0.19 0.00 -0.00 0.00 0.00 33.47 30.74 3fax s TRP 496 CO -0.04 -0.44 0.78 0.45 -0.00 0.00 0.00 176.95 177.70 3fax s SER 497 N 1.69 -1.28 0.56 5.86 0.15 -0.61 -4.82 113.70 115.25 3fax s SER 497 Ca 0.20 -1.51 0.33 0.00 0.70 0.00 0.00 55.95 55.67 3fax s SER 497 Cb -0.15 1.67 1.59 0.00 -1.71 0.00 0.00 66.02 67.41 3fax s SER 497 CO 0.12 -0.05 2.09 1.55 1.20 0.00 0.00 173.24 178.15 3fax h PRO 498 N 4.92 0.00 -0.61 5.44 0.13 -1.86 -2.67 132.00 137.36 3fax h PRO 498 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3fax h PRO 498 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3fax h PRO 498 CO -0.01 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 176.70 3fax n SER 499 N -3.31 4.74 -4.76 1.44 3.41 -1.26 -4.89 113.62 108.99 3fax n SER 499 Ca -0.01 -2.51 -0.40 0.00 -0.26 0.00 0.00 58.87 55.69 3fax n SER 499 Cb 0.24 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 3fax n SER 499 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fax s ALA 500 N -1.96 3.34 0.07 7.33 0.00 -1.01 -4.90 121.76 124.64 3fax s ALA 500 Ca 0.50 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 3fax s ALA 500 Cb 0.33 -3.29 -0.25 0.00 0.00 0.00 0.00 23.12 19.92 3fax s ALA 500 CO 0.23 -0.07 1.17 -0.44 0.00 0.00 0.00 175.76 176.64 3fax h ASP 501 N 3.68 0.90 -5.06 0.00 3.32 -0.88 -3.48 116.42 114.91 3fax h ASP 501 Ca -0.47 -0.76 -0.05 0.00 0.02 0.00 0.00 57.03 55.78 3fax h ASP 501 Cb 1.21 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 3fax h ASP 501 CO 0.66 1.55 -0.02 -0.94 -1.72 0.00 0.00 179.24 178.77 3fax s SER 502 N -7.31 -0.31 -0.17 6.45 1.04 -1.22 -5.00 113.70 107.19 3fax s SER 502 Ca -0.10 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.08 3fax s SER 502 Cb 0.06 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.74 3fax s SER 502 CO 0.92 -0.85 0.08 -0.69 0.98 0.00 0.00 173.24 173.68 3fax s VAL 503 N -3.60 0.02 -0.14 5.02 1.01 -1.26 -1.86 120.40 119.59 3fax s VAL 503 Ca 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3fax s VAL 503 Cb 0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 3fax s VAL 503 CO -0.11 -0.25 0.02 -0.89 0.00 0.00 0.00 175.10 173.87 3fax s THR 504 N 2.09 4.40 0.11 3.92 2.01 0.07 -0.74 115.64 127.51 3fax s THR 504 Ca 0.02 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 3fax s THR 504 Cb -0.16 -2.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 3fax s THR 504 CO -0.09 0.53 0.76 -0.32 -0.69 0.00 0.00 174.62 174.81 3fax s MET 505 N -0.12 4.52 -0.14 4.92 1.75 -0.31 0.14 119.30 130.07 3fax s MET 505 Ca 0.05 1.10 -0.01 0.00 -1.25 0.00 0.00 55.69 55.58 3fax s MET 505 Cb -0.12 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.23 3fax s MET 505 CO 0.02 0.46 -0.12 0.42 -0.65 0.00 0.00 175.02 175.15 3fax s ILE 506 N -0.70 3.11 -0.10 10.11 1.01 0.89 -2.11 121.20 133.40 3fax s ILE 506 Ca 0.36 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3fax s ILE 506 Cb -0.22 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3fax s ILE 506 CO 0.25 0.51 -0.12 -0.63 0.00 0.00 0.00 174.94 174.95 3fax s ILE 507 N 0.48 3.22 0.18 2.92 1.01 0.13 -1.08 121.20 128.06 3fax s ILE 507 Ca -0.09 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.05 3fax s ILE 507 Cb -0.16 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3fax s ILE 507 CO 0.04 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.98 3fax s TYR 508 N -0.13 2.26 0.23 3.97 2.02 0.77 0.72 117.35 127.18 3fax s TYR 508 Ca -0.00 -0.37 -0.31 0.00 -0.37 0.00 0.00 57.07 56.02 3fax s TYR 508 Cb -0.13 -1.14 -0.10 0.00 -0.40 0.00 0.00 41.96 40.18 3fax s TYR 508 CO 0.03 0.46 1.54 0.34 -1.57 0.00 0.00 175.55 176.35 3fax s ASP 509 N -2.57 6.55 0.36 2.29 -1.08 0.03 -1.97 116.67 120.28 3fax s ASP 509 Ca 0.19 2.72 0.04 0.00 -0.52 0.00 0.00 52.55 54.98 3fax s ASP 509 Cb -0.08 -2.61 0.69 0.00 -1.46 0.00 0.00 42.92 39.46 3fax s ASP 509 CO 0.09 -0.81 2.00 0.07 0.52 0.00 0.00 175.17 177.04 3fax h LYS 510 N 5.76 0.78 -0.02 4.34 2.10 -1.92 -2.41 116.57 125.19 3fax h LYS 510 Ca -0.45 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3fax h LYS 510 Cb 1.21 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 3fax h LYS 510 CO 0.84 0.51 -0.05 -0.25 -2.00 0.00 0.00 179.45 178.51 3fax n ASP 511 N -4.45 1.94 -3.14 7.07 8.00 -1.26 -4.69 116.55 120.01 3fax n ASP 511 Ca 0.07 -1.60 0.04 0.00 0.71 0.00 0.00 54.79 54.02 3fax n ASP 511 Cb 0.10 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3fax n ASP 511 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fax s ASN 512 N -2.07 -1.20 0.53 -2.24 2.47 -0.93 -5.05 114.94 106.44 3fax s ASN 512 Ca 0.33 0.09 0.35 0.00 0.42 0.00 0.00 52.86 54.04 3fax s ASN 512 Cb 0.20 1.74 1.60 0.00 -1.45 0.00 0.00 41.25 43.35 3fax s ASN 512 CO 0.35 -0.21 2.04 0.06 -3.72 0.00 0.00 177.10 175.62 3fax h GLN 513 N 7.65 0.00 0.00 0.43 3.07 -1.78 -2.43 115.11 122.05 3fax h GLN 513 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.60 3fax h GLN 513 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 3fax h GLN 513 CO 0.06 0.00 -0.48 -0.91 0.09 0.00 0.00 178.83 177.59 3fax h ASN 514 N 0.00 0.00 -3.14 0.06 -0.26 -1.97 -3.41 115.58 106.86 3fax h ASN 514 Ca 0.00 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.16 3fax h ASN 514 Cb 0.32 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.51 3fax h ASN 514 CO 0.00 0.48 0.70 -0.60 -1.06 0.00 0.00 177.43 176.95 3fax s ARG 515 N -3.25 4.24 -0.13 0.81 3.52 -0.92 -4.98 118.95 118.23 3fax s ARG 515 Ca 0.02 1.24 -0.29 0.00 -0.13 0.00 0.00 55.73 56.56 3fax s ARG 515 Cb 0.09 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3fax s ARG 515 CO 0.72 -0.59 1.15 0.08 -0.81 0.00 0.00 175.30 175.85 3fax s VAL 516 N 3.08 4.44 -0.22 7.11 1.01 -1.26 -0.79 120.40 133.77 3fax s VAL 516 Ca 0.41 1.74 0.09 0.00 0.00 0.00 0.00 61.98 64.23 3fax s VAL 516 Cb -0.15 -4.12 -0.21 0.00 0.00 0.00 0.00 36.38 31.90 3fax s VAL 516 CO 0.07 -0.08 -0.06 0.52 0.00 0.00 0.00 175.10 175.55 3fax n VAL 517 N 4.99 1.45 -3.63 2.92 0.31 0.22 -4.91 118.33 119.68 3fax n VAL 517 Ca 0.12 -0.71 -0.06 0.00 -0.01 0.00 0.00 64.34 63.67 3fax n VAL 517 Cb 0.46 -0.98 -0.02 0.00 -0.91 0.00 0.00 33.84 32.40 3fax n VAL 517 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fax s ALA 518 N -2.51 -1.69 0.05 3.52 0.00 -1.05 -5.01 121.76 115.06 3fax s ALA 518 Ca -0.22 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 3fax s ALA 518 Cb 0.08 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3fax s ALA 518 CO 0.72 -0.88 0.10 0.95 0.00 0.00 0.00 175.76 176.64 3fax s THR 519 N -3.29 0.15 -0.19 0.00 -4.23 -1.26 0.18 115.64 106.99 3fax s THR 519 Ca 0.08 -1.23 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3fax s THR 519 Cb -0.01 -1.10 0.06 0.00 1.34 0.00 0.00 72.50 72.78 3fax s THR 519 CO -0.03 -0.68 0.50 -0.89 -0.54 0.00 0.00 174.62 172.98 3fax s THR 520 N -3.12 -0.01 0.41 3.99 2.01 -0.90 -4.99 115.64 113.04 3fax s THR 520 Ca -0.01 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 3fax s THR 520 Cb 0.02 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.72 3fax s THR 520 CO -0.07 0.01 0.99 -2.16 -0.69 0.00 0.00 174.62 172.70 3fax s PRO 521 N 0.75 4.20 0.19 4.92 0.04 -1.26 -1.16 135.00 142.69 3fax s PRO 521 Ca -0.04 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.36 3fax s PRO 521 Cb -0.05 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3fax s PRO 521 CO -0.06 -0.07 0.25 -0.51 0.04 0.00 0.00 177.00 176.65 3fax s LEU 522 N -2.86 4.11 -0.21 -3.56 1.43 0.08 -4.91 118.68 112.76 3fax s LEU 522 Ca 0.59 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3fax s LEU 522 Cb -0.16 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3fax s LEU 522 CO 0.20 0.01 0.02 -0.69 0.23 0.00 0.00 176.35 176.13 3fax s VAL 523 N -1.86 4.07 0.02 -1.59 1.01 0.23 -4.63 120.40 117.65 3fax s VAL 523 Ca 0.33 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3fax s VAL 523 Cb -0.10 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3fax s VAL 523 CO 0.27 0.41 0.98 -0.75 0.00 0.00 0.00 175.10 176.00 3fax s LYS 524 N 1.08 4.58 0.00 2.72 2.20 -1.26 -1.10 119.74 127.96 3fax s LYS 524 Ca 0.03 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 3fax s LYS 524 Cb -0.14 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3fax s LYS 524 CO 0.02 -0.00 0.00 0.27 -0.36 0.00 0.00 175.35 175.27 3fax n ASN 525 N 3.71 0.00 -0.22 1.43 6.94 0.26 -4.96 115.26 122.43 3fax n ASN 525 Ca 0.05 -0.89 -0.05 0.00 -0.02 0.00 0.00 54.58 53.68 3fax n ASN 525 Cb 0.51 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.05 3fax n ASN 525 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 3fax h ASN 526 N 0.00 0.96 -0.44 0.53 -1.24 -1.97 -3.14 115.58 110.28 3fax h ASN 526 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 56.30 56.84 3fax h ASN 526 Cb 0.00 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.80 3fax h ASN 526 CO 0.00 0.89 0.00 0.29 -1.29 0.00 0.00 177.43 177.32 3fax n LYS 527 N -4.27 3.40 -1.05 6.67 4.76 -1.26 -4.90 118.16 121.51 3fax n LYS 527 Ca 0.06 -2.16 -0.02 0.00 -2.87 0.00 0.00 58.31 53.32 3fax n LYS 527 Cb 0.21 -1.89 -0.01 0.00 -1.84 0.00 0.00 35.03 31.51 3fax n LYS 527 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fax n GLY 528 N 0.67 0.51 3.69 0.72 0.00 -1.19 -4.56 105.19 105.05 3fax n GLY 528 Ca 0.19 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3fax n GLY 528 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fax s VAL 529 N -2.06 5.17 -0.18 1.61 1.01 -1.26 -1.58 120.40 123.11 3fax s VAL 529 Ca 0.00 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 3fax s VAL 529 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3fax s VAL 529 CO 0.00 0.27 0.40 0.26 0.00 0.00 0.00 175.10 176.02 3fax s TRP 530 N 1.07 3.41 0.17 5.22 0.52 0.24 -0.58 118.94 128.99 3fax s TRP 530 Ca 0.24 0.66 0.07 0.00 0.02 0.00 0.00 56.10 57.09 3fax s TRP 530 Cb -0.15 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 3fax s TRP 530 CO 0.09 0.07 -0.14 -0.65 0.02 0.00 0.00 176.95 176.34 3fax s GLN 531 N 1.04 1.20 0.06 4.98 -0.21 -0.26 -0.50 119.66 125.97 3fax s GLN 531 Ca 0.20 -1.45 -0.26 0.00 0.02 0.00 0.00 55.36 53.87 3fax s GLN 531 Cb -0.14 -1.01 0.08 0.00 1.00 0.00 0.00 33.01 32.94 3fax s GLN 531 CO 0.08 0.18 0.73 -0.08 -2.12 0.00 0.00 175.29 174.07 3fax s THR 532 N -2.68 0.00 -0.23 -0.19 -1.32 -0.76 -0.60 115.64 109.86 3fax s THR 532 Ca 0.17 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.67 3fax s THR 532 Cb -0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.02 3fax s THR 532 CO 0.05 0.00 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.70 3fax s ILE 533 N -3.15 2.03 0.10 5.08 1.01 -1.26 -1.52 121.20 123.48 3fax s ILE 533 Ca 0.01 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 3fax s ILE 533 Cb -0.01 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 3fax s ILE 533 CO -0.09 0.10 1.03 -0.76 0.00 0.00 0.00 174.94 175.22 3fax s LEU 534 N 1.20 4.45 0.00 2.97 1.43 0.02 -4.91 118.68 123.83 3fax s LEU 534 Ca -0.05 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3fax s LEU 534 Cb -0.18 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3fax s LEU 534 CO -0.07 -0.19 0.00 -0.90 0.23 0.00 0.00 176.35 175.41 3fax n ASP 535 N 3.08 0.00 -0.39 2.29 5.68 -1.26 -1.55 116.55 124.40 3fax n ASP 535 Ca 0.04 -0.19 0.36 0.00 -0.50 0.00 0.00 54.79 54.50 3fax n ASP 535 Cb 0.49 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.17 3fax n ASP 535 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3fax h THR 536 N 0.19 0.34 -0.54 2.12 1.35 -1.78 -2.64 112.91 111.95 3fax h THR 536 Ca 0.00 -0.03 0.16 0.00 -0.55 0.00 0.00 66.41 65.99 3fax h THR 536 Cb 0.00 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.64 3fax h THR 536 CO 0.00 0.02 0.39 0.11 -0.25 0.00 0.00 175.52 175.79 3fax h LYS 537 N 0.09 0.00 -0.02 4.72 1.57 -1.96 0.80 116.57 121.77 3fax h LYS 537 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 3fax h LYS 537 Cb 2.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.68 3fax h LYS 537 CO -0.11 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.05 3fax n LEU 538 N -4.34 1.28 0.00 2.94 4.77 -0.99 -4.94 117.00 115.72 3fax n LEU 538 Ca 0.10 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3fax n LEU 538 Cb 0.62 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3fax n LEU 538 CO 0.37 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3fax n GLY 539 N 1.15 0.72 3.44 -0.72 0.00 0.27 -4.94 105.19 105.11 3fax n GLY 539 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3fax n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fax s ILE 540 N -2.59 3.57 -0.14 -0.61 1.01 -1.26 -5.01 121.20 116.16 3fax s ILE 540 Ca 0.00 -0.47 0.19 0.00 0.00 0.00 0.00 60.65 60.36 3fax s ILE 540 Cb 0.00 -2.55 -0.13 0.00 0.01 0.00 0.00 42.46 39.79 3fax s ILE 540 CO 0.00 0.50 0.79 2.29 0.00 0.00 0.00 174.94 178.52 3fax n LYS 541 N 3.64 0.62 -3.68 2.79 2.85 -1.26 -4.38 118.16 118.74 3fax n LYS 541 Ca -0.18 0.15 -0.22 0.00 -1.05 0.00 0.00 58.31 57.01 3fax n LYS 541 Cb 0.52 -1.77 -0.18 0.00 -0.65 0.00 0.00 35.03 32.96 3fax n LYS 541 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3fax s ASN 542 N -5.56 1.53 0.00 -5.58 3.84 -1.26 -3.91 114.94 104.00 3fax s ASN 542 Ca -0.03 -0.12 0.26 0.00 0.21 0.00 0.00 52.86 53.17 3fax s ASN 542 Cb 0.09 -0.24 0.61 0.00 -0.55 0.00 0.00 41.25 41.17 3fax s ASN 542 CO 0.82 -0.26 1.48 -1.22 -2.79 0.00 0.00 177.10 175.13 3fax n TYR 543 N 5.26 0.00 -1.72 0.43 4.01 0.01 -4.89 117.16 120.25 3fax n TYR 543 Ca -0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.27 3fax n TYR 543 Cb 0.50 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 39.31 3fax n TYR 543 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3fax n THR 544 N -1.14 0.59 0.00 -0.72 -2.24 -1.26 -1.53 114.28 107.98 3fax n THR 544 Ca 0.08 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3fax n THR 544 Cb 0.34 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 3fax n THR 544 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fax n GLY 545 N 2.85 2.60 3.80 3.38 0.00 0.60 -4.98 105.19 113.44 3fax n GLY 545 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3fax n GLY 545 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fax s TYR 546 N -2.53 2.91 0.25 1.61 1.51 -0.58 -4.31 117.35 116.21 3fax s TYR 546 Ca 0.00 1.52 0.09 0.00 -1.01 0.00 0.00 57.07 57.67 3fax s TYR 546 Cb 0.00 -3.04 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 3fax s TYR 546 CO 0.00 -1.23 -0.01 0.71 -1.11 0.00 0.00 175.55 173.91 3fax s TYR 547 N -2.41 2.71 0.06 2.71 1.51 -0.83 -1.36 117.35 119.73 3fax s TYR 547 Ca 0.64 -0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.38 3fax s TYR 547 Cb -0.17 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3fax s TYR 547 CO 0.37 0.60 0.26 1.52 -1.11 0.00 0.00 175.55 177.19 3fax s TYR 548 N -2.21 -0.02 0.19 2.71 -0.85 -0.20 -0.17 117.35 116.80 3fax s TYR 548 Ca 0.30 -0.21 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 3fax s TYR 548 Cb -0.07 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.27 3fax s TYR 548 CO 0.19 -0.50 0.04 -0.51 -1.52 0.00 0.00 175.55 173.25 3fax s LEU 549 N -2.26 1.90 -0.19 -3.49 1.43 -0.24 -1.22 118.68 114.61 3fax s LEU 549 Ca -0.03 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 3fax s LEU 549 Cb 0.00 0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.28 3fax s LEU 549 CO -0.05 -0.64 -0.17 -0.31 0.23 0.00 0.00 176.35 175.40 3fax s TYR 550 N -3.76 2.84 -0.09 0.29 2.02 -0.78 -0.08 117.35 117.79 3fax s TYR 550 Ca 0.28 -1.60 -0.23 0.00 -0.37 0.00 0.00 57.07 55.15 3fax s TYR 550 Cb 0.07 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 3fax s TYR 550 CO 0.06 -0.78 0.70 -2.00 -1.57 0.00 0.00 175.55 171.96 3fax s GLU 551 N 1.30 4.40 -0.13 -0.62 2.12 0.12 -0.57 118.70 125.32 3fax s GLU 551 Ca 0.04 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.23 3fax s GLU 551 Cb -0.14 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.80 3fax s GLU 551 CO -0.11 0.00 -0.16 0.42 -0.54 0.00 0.00 175.26 174.87 3fax s ILE 552 N 1.03 1.66 -0.14 -3.70 1.01 -0.34 -0.75 121.20 119.97 3fax s ILE 552 Ca 0.36 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 3fax s ILE 552 Cb -0.17 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3fax s ILE 552 CO 0.16 0.47 0.18 -0.75 0.00 0.00 0.00 174.94 175.01 3fax s LYS 553 N 1.15 3.84 -0.26 2.79 2.20 -0.78 -2.13 119.74 126.55 3fax s LYS 553 Ca -0.02 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 3fax s LYS 553 Cb -0.14 -3.30 0.13 0.00 -1.51 0.00 0.00 37.83 33.01 3fax s LYS 553 CO -0.06 0.54 0.33 1.03 -0.36 0.00 0.00 175.35 176.84 3fax s ARG 554 N -0.37 0.32 0.00 4.03 0.52 -1.26 -0.12 118.95 122.07 3fax s ARG 554 Ca 0.14 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 3fax s ARG 554 Cb -0.12 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.72 3fax s ARG 554 CO 0.03 -0.83 0.00 0.41 0.02 0.00 0.00 175.30 174.93 3fax n GLY 555 N 5.34 1.61 3.15 -3.53 0.00 -1.26 -4.81 105.19 105.69 3fax n GLY 555 Ca -0.03 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3fax n GLY 555 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fax s ASP 557 N 0.00 -0.14 -0.07 1.61 1.01 -1.26 -5.18 116.67 112.64 3fax s ASP 557 Ca 0.00 0.09 -0.29 0.00 0.71 0.00 0.00 52.55 53.06 3fax s ASP 557 Cb 0.00 1.12 -0.02 0.00 1.01 0.00 0.00 42.92 45.03 3fax s ASP 557 CO 0.00 -0.03 0.95 -0.54 0.21 0.00 0.00 175.17 175.76 3fax s LYS 558 N 2.99 4.47 -0.01 8.23 1.02 -1.26 -4.08 119.74 131.09 3fax s LYS 558 Ca -0.09 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.23 3fax s LYS 558 Cb -0.09 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 3fax s LYS 558 CO -0.08 -0.18 -0.01 0.54 -0.92 0.00 0.00 175.35 174.71 3fax s VAL 559 N 1.52 0.14 -0.14 3.17 0.11 -0.91 -4.94 120.40 119.36 3fax s VAL 559 Ca 0.48 -0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 59.38 3fax s VAL 559 Cb -0.19 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 3fax s VAL 559 CO 0.21 0.07 0.29 -0.54 -3.33 0.00 0.00 175.10 171.80 3fax s LYS 560 N 0.29 4.15 0.18 1.54 1.02 -1.26 -1.20 119.74 124.46 3fax s LYS 560 Ca -0.03 0.10 0.03 0.00 0.02 0.00 0.00 55.97 56.09 3fax s LYS 560 Cb -0.05 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 3fax s LYS 560 CO -0.01 0.33 -0.02 0.96 -0.92 0.00 0.00 175.35 175.69 3fax s ILE 561 N 0.18 0.82 -0.34 2.17 -5.25 0.27 -4.67 121.20 114.39 3fax s ILE 561 Ca 0.17 -2.00 -0.12 0.00 -0.99 0.00 0.00 60.65 57.70 3fax s ILE 561 Cb -0.13 -2.09 -0.01 0.00 2.95 0.00 0.00 42.46 43.17 3fax s ILE 561 CO 0.05 -0.51 0.23 -0.22 -1.79 0.00 0.00 174.94 172.69 3fax s LEU 562 N -3.19 4.48 -0.47 0.37 2.96 -1.26 -1.87 118.68 119.70 3fax s LEU 562 Ca 0.23 -0.47 -0.44 0.00 -0.22 0.00 0.00 54.13 53.24 3fax s LEU 562 Cb 0.05 -2.12 -0.18 0.00 0.50 0.00 0.00 46.19 44.45 3fax s LEU 562 CO 0.04 -0.24 2.00 -0.67 -1.32 0.00 0.00 176.35 176.15 3fax n ASP 563 N 5.09 1.10 0.24 3.68 -0.08 -1.26 -4.79 116.55 120.52 3fax n ASP 563 Ca -0.13 0.79 0.16 0.00 -1.51 0.00 0.00 54.79 54.11 3fax n ASP 563 Cb 0.49 -0.95 0.75 0.00 2.34 0.00 0.00 41.12 43.76 3fax n ASP 563 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3fax h PRO 564 N 8.32 0.00 -0.64 -0.67 0.13 -1.95 -0.78 132.00 136.41 3fax h PRO 564 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3fax h PRO 564 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3fax h PRO 564 CO 1.05 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 3fax n TYR 565 N -2.74 1.60 -1.66 1.56 4.02 -1.26 -4.48 117.16 114.21 3fax n TYR 565 Ca -0.00 -0.59 -0.49 0.00 -0.01 0.00 0.00 57.90 56.80 3fax n TYR 565 Cb 0.18 -0.34 -0.05 0.00 -0.02 0.00 0.00 39.34 39.11 3fax n TYR 565 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fax n ALA 566 N 0.81 0.47 0.19 -0.72 0.00 -0.30 -4.69 120.51 116.28 3fax n ALA 566 Ca 0.24 0.42 0.11 0.00 0.00 0.00 0.00 53.44 54.22 3fax n ALA 566 Cb 0.95 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3fax n ALA 566 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fax n LYS 567 N 4.10 0.54 -3.78 0.00 4.76 -1.26 -2.69 118.16 119.84 3fax n LYS 567 Ca 0.20 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.57 3fax n LYS 567 Cb 0.25 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3fax n LYS 567 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3fax n SER 568 N -2.45 -1.85 -4.14 4.39 2.88 -1.26 -4.44 113.62 106.75 3fax n SER 568 Ca -0.00 -2.67 -0.10 0.00 -1.33 0.00 0.00 58.87 54.77 3fax n SER 568 Cb 0.53 3.19 -0.10 0.00 -0.75 0.00 0.00 64.21 67.08 3fax n SER 568 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3fax s LEU 569 N 0.00 1.56 0.75 2.46 1.43 -1.26 -1.69 118.68 121.92 3fax s LEU 569 Ca 0.21 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 51.99 3fax s LEU 569 Cb -0.03 0.42 0.05 0.00 0.03 0.00 0.00 46.19 46.66 3fax s LEU 569 CO 0.15 -0.77 1.10 0.00 0.23 0.00 0.00 176.35 177.06 3fax s ALA 570 N -4.06 2.26 0.19 4.21 0.00 -0.67 -4.49 121.76 119.21 3fax s ALA 570 Ca 0.26 0.37 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 3fax s ALA 570 Cb 0.07 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.74 3fax s ALA 570 CO 0.04 -1.70 1.33 -0.85 0.00 0.00 0.00 175.76 174.57 3fax n GLU 571 N -3.26 1.63 -5.10 0.00 0.00 -1.22 -4.78 120.64 107.91 3fax n GLU 571 Ca 0.10 0.58 -0.32 0.00 0.00 0.00 0.00 57.16 57.51 3fax n GLU 571 Cb 0.53 -2.19 -0.16 0.00 0.00 0.00 0.00 31.44 29.62 3fax n GLU 571 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 3fax s TRP 572 N 0.05 2.63 -0.16 -1.84 -0.00 -1.26 -4.94 118.94 113.41 3fax s TRP 572 Ca 0.73 -0.93 -0.01 0.00 -0.00 0.00 0.00 56.10 55.88 3fax s TRP 572 Cb -0.76 -1.74 0.04 0.00 -0.00 0.00 0.00 33.47 31.01 3fax s TRP 572 CO 0.49 -0.36 -0.02 0.34 -0.00 0.00 0.00 176.95 177.40 3fax s ASP 573 N 0.33 2.71 0.42 5.86 -1.08 -1.26 -1.47 116.67 122.18 3fax s ASP 573 Ca -0.17 -0.63 0.29 0.00 -0.52 0.00 0.00 52.55 51.52 3fax s ASP 573 Cb -0.17 -0.78 1.48 0.00 -1.46 0.00 0.00 42.92 41.99 3fax s ASP 573 CO 0.08 -0.22 1.88 0.77 0.52 0.00 0.00 175.17 178.21 3fax h SER 574 N 8.17 0.00 0.79 -0.34 4.64 -0.95 -1.56 113.55 124.31 3fax h SER 574 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3fax h SER 574 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3fax h SER 574 CO 0.37 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 177.11 3fax h ASN 575 N 0.00 0.00 0.85 4.97 4.21 -1.94 -2.86 115.58 120.81 3fax h ASN 575 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3fax h ASN 575 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 3fax h ASN 575 CO 0.00 0.00 -0.10 0.35 -1.29 0.00 0.00 177.43 176.39 3fax n THR 576 N -2.43 0.00 -1.63 2.81 -2.24 -0.59 -4.91 114.28 105.30 3fax n THR 576 Ca 0.02 -0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 3fax n THR 576 Cb 0.25 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3fax n THR 576 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3fax n VAL 577 N -1.46 1.29 -3.34 2.28 0.31 -1.08 -4.99 118.33 111.34 3fax n VAL 577 Ca 0.07 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3fax n VAL 577 Cb 0.33 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3fax n VAL 577 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3fax n ASN 578 N 1.74 0.13 0.06 4.52 0.23 -0.85 -5.04 115.26 116.06 3fax n ASN 578 Ca 0.11 -0.34 -0.09 0.00 -0.53 0.00 0.00 54.58 53.73 3fax n ASN 578 Cb 0.30 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.02 3fax n ASN 578 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 3fax h ASP 579 N 0.00 0.42 0.01 0.53 1.82 -2.01 -3.37 116.42 113.82 3fax h ASP 579 Ca 0.00 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.35 3fax h ASP 579 Cb 0.00 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.89 3fax h ASP 579 CO 0.00 1.04 -0.01 -0.78 -1.61 0.00 0.00 179.24 177.88 3fax h ASP 580 N 0.23 -0.01 -3.61 2.28 3.58 -1.99 -3.43 116.42 113.46 3fax h ASP 580 Ca -0.04 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.72 3fax h ASP 580 Cb 1.35 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.19 3fax h ASP 580 CO 0.13 0.41 -0.49 -0.63 -2.88 0.00 0.00 179.24 175.77 3fax s ILE 581 N -1.52 4.92 -1.88 2.25 1.09 -1.26 -4.34 121.20 120.46 3fax s ILE 581 Ca -0.00 -0.56 0.17 0.00 -1.10 0.00 0.00 60.65 59.15 3fax s ILE 581 Cb 0.00 -3.64 0.23 0.00 -1.06 0.00 0.00 42.46 38.00 3fax s ILE 581 CO 0.01 -0.13 1.14 0.29 -0.10 0.00 0.00 174.94 176.14 3fax n LYS 582 N 5.06 1.79 -4.15 2.79 5.02 -1.26 -2.01 118.16 125.40 3fax n LYS 582 Ca -0.12 -1.76 -0.12 0.00 -2.02 0.00 0.00 58.31 54.29 3fax n LYS 582 Cb 0.48 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 3fax n LYS 582 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fax s THR 583 N -1.27 0.00 0.80 -0.18 -4.23 -1.26 -4.95 115.64 104.54 3fax s THR 583 Ca 0.24 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3fax s THR 583 Cb 0.15 -2.43 0.08 0.00 1.34 0.00 0.00 72.50 71.64 3fax s THR 583 CO 0.22 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.43 3fax s ALA 584 N -4.04 2.00 -0.06 3.99 0.00 -1.26 -5.01 121.76 117.37 3fax s ALA 584 Ca 0.34 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 3fax s ALA 584 Cb 0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 3fax s ALA 584 CO 0.12 -2.06 0.36 0.15 0.00 0.00 0.00 175.76 174.33 3fax s LYS 585 N -4.50 3.96 1.05 0.00 1.02 -1.26 -4.73 119.74 115.28 3fax s LYS 585 Ca 0.67 0.28 -0.14 0.00 0.02 0.00 0.00 55.97 56.79 3fax s LYS 585 Cb -0.22 -3.28 0.21 0.00 -0.52 0.00 0.00 37.83 34.03 3fax s LYS 585 CO 0.52 0.56 1.11 0.00 -0.92 0.00 0.00 175.35 176.62 3fax s ALA 586 N -0.59 0.95 -0.06 5.17 0.00 -0.36 -1.66 121.76 125.20 3fax s ALA 586 Ca 0.21 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 3fax s ALA 586 Cb -0.15 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.95 3fax s ALA 586 CO 0.10 -3.00 0.16 0.00 0.00 0.00 0.00 175.76 173.02 3fax s ALA 587 N -3.04 -0.40 -0.50 0.00 0.00 -0.68 -1.04 121.76 116.11 3fax s ALA 587 Ca 0.67 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 3fax s ALA 587 Cb -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.71 3fax s ALA 587 CO 0.57 -0.08 1.17 -0.06 0.00 0.00 0.00 175.76 177.36 3fax s PHE 588 N 0.15 2.73 0.05 0.00 0.08 -0.47 -4.15 117.98 116.38 3fax s PHE 588 Ca -0.01 0.65 -0.01 0.00 0.12 0.00 0.00 56.93 57.68 3fax s PHE 588 Cb -0.02 -4.45 -0.04 0.00 -0.57 0.00 0.00 43.02 37.94 3fax s PHE 588 CO -0.00 -1.40 -0.02 0.14 -0.10 0.00 0.00 175.22 173.84 3fax s VAL 589 N 4.66 0.22 -0.52 -0.44 -7.23 -1.26 -0.29 120.40 115.53 3fax s VAL 589 Ca 0.48 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.90 3fax s VAL 589 Cb -0.08 -1.51 0.15 0.00 0.56 0.00 0.00 36.38 35.50 3fax s VAL 589 CO 0.31 -0.98 0.32 0.21 -0.31 0.00 0.00 175.10 174.64 3fax s ASN 590 N -2.91 3.92 0.27 4.85 3.84 -1.26 -4.51 114.94 119.14 3fax s ASN 590 Ca 0.07 -3.08 -0.01 0.00 0.21 0.00 0.00 52.86 50.05 3fax s ASN 590 Cb 0.08 -1.30 0.62 0.00 -0.55 0.00 0.00 41.25 40.10 3fax s ASN 590 CO -0.10 -0.20 1.64 -0.65 -2.79 0.00 0.00 177.10 175.00 3fax h PRO 591 N 6.24 0.16 -0.53 0.43 0.11 -1.96 -2.12 132.00 134.32 3fax h PRO 591 Ca 0.03 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.22 3fax h PRO 591 Cb 0.87 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3fax h PRO 591 CO 0.59 0.11 0.36 0.66 -0.21 0.00 0.00 178.00 179.51 3fax h SER 592 N 0.17 0.34 0.25 -2.05 4.64 -1.95 0.17 113.55 115.12 3fax h SER 592 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3fax h SER 592 Cb 0.98 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3fax h SER 592 CO -0.67 0.21 -0.07 0.00 -0.87 0.00 0.00 176.83 175.43 3fax n GLN 593 N -4.47 0.88 -3.97 4.77 6.02 -0.80 -4.89 117.38 114.92 3fax n GLN 593 Ca 0.08 -0.29 -0.33 0.00 -0.01 0.00 0.00 57.00 56.45 3fax n GLN 593 Cb 0.33 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 3fax n GLN 593 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fax s LEU 594 N -2.32 4.20 0.00 1.08 1.43 0.60 -5.02 118.68 118.65 3fax s LEU 594 Ca 0.34 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3fax s LEU 594 Cb 0.21 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.92 3fax s LEU 594 CO 0.44 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.89 3fax n GLY 595 N 1.00 -1.95 3.69 -3.19 0.00 -1.26 -4.76 105.19 98.71 3fax n GLY 595 Ca -0.11 -1.30 -0.52 0.00 0.00 0.00 0.00 46.02 44.09 3fax n GLY 595 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fax n PRO 596 N -2.48 1.77 0.07 1.61 -0.02 -1.26 -4.87 135.00 129.83 3fax n PRO 596 Ca 0.00 0.65 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 3fax n PRO 596 Cb 0.30 -2.43 0.47 0.00 -0.02 0.00 0.00 33.50 31.82 3fax n PRO 596 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3fax n GLN 597 N 6.04 0.18 -0.33 -0.52 1.13 -1.26 -2.46 117.38 120.16 3fax n GLN 597 Ca 0.24 0.17 0.08 0.00 -1.94 0.00 0.00 57.00 55.55 3fax n GLN 597 Cb 0.23 -1.71 0.24 0.00 0.11 0.00 0.00 30.24 29.11 3fax n GLN 597 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3fax n ASN 598 N -2.02 3.07 -4.61 1.08 6.94 -1.26 -4.97 115.26 113.49 3fax n ASN 598 Ca 0.06 -2.11 -0.46 0.00 -0.02 0.00 0.00 54.58 52.05 3fax n ASN 598 Cb 0.38 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 3fax n ASN 598 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3fax n LEU 599 N 0.93 2.12 -3.92 -4.53 7.94 -1.03 -4.97 117.00 113.54 3fax n LEU 599 Ca 0.18 1.16 -0.08 0.00 -1.11 0.00 0.00 56.01 56.16 3fax n LEU 599 Cb 0.52 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 3fax n LEU 599 CO 0.14 -1.12 0.34 -0.94 -1.11 0.00 0.00 177.39 174.70 3fax s SER 600 N -0.23 -0.14 1.01 1.96 1.04 -1.26 -5.01 113.70 111.07 3fax s SER 600 Ca 0.64 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3fax s SER 600 Cb -0.72 0.68 0.20 0.00 0.10 0.00 0.00 66.02 66.27 3fax s SER 600 CO 0.56 -1.28 1.08 -0.36 0.98 0.00 0.00 173.24 174.22 3fax s PHE 601 N -3.83 1.93 0.68 5.02 0.08 -1.26 -4.92 117.98 115.67 3fax s PHE 601 Ca 0.17 1.17 -0.17 0.00 0.12 0.00 0.00 56.93 58.21 3fax s PHE 601 Cb -0.04 -3.19 -0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3fax s PHE 601 CO 0.09 -3.02 1.16 0.00 -0.10 0.00 0.00 175.22 173.35 3fax n ALA 602 N -4.30 0.55 -3.75 5.36 0.00 -1.26 -4.99 120.51 112.12 3fax n ALA 602 Ca 0.05 -0.08 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 3fax n ALA 602 Cb 0.55 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 3fax n ALA 602 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fax n LYS 603 N -1.94 1.93 -3.30 0.00 5.02 -1.26 -5.09 118.16 113.52 3fax n LYS 603 Ca 0.15 -4.47 -0.38 0.00 -2.02 0.00 0.00 58.31 51.59 3fax n LYS 603 Cb 0.49 -2.24 -0.07 0.00 -0.02 0.00 0.00 35.03 33.19 3fax n LYS 603 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fax s ILE 604 N -1.67 5.16 0.60 -0.18 1.01 -1.26 -4.68 121.20 120.18 3fax s ILE 604 Ca 0.29 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 61.69 3fax s ILE 604 Cb 0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3fax s ILE 604 CO -0.13 0.25 1.07 0.00 0.00 0.00 0.00 174.94 176.14 3fax s ALA 605 N 1.15 2.67 0.00 9.38 0.00 -1.26 -3.40 121.76 130.31 3fax s ALA 605 Ca 0.24 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3fax s ALA 605 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3fax s ALA 605 CO 0.09 -0.90 0.00 0.09 0.00 0.00 0.00 175.76 175.04 3fax n ASN 606 N -2.04 0.00 -4.53 0.00 3.02 -1.26 -4.92 115.26 105.53 3fax n ASN 606 Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 3fax n ASN 606 Cb 0.52 -1.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.27 3fax n ASN 606 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3fax s PHE 607 N -1.60 2.69 -0.03 3.10 5.36 -1.22 -4.80 117.98 121.48 3fax s PHE 607 Ca 0.00 0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.04 3fax s PHE 607 Cb 0.00 -4.25 0.07 0.00 -0.34 0.00 0.00 43.02 38.50 3fax s PHE 607 CO 0.00 -1.51 1.00 1.63 -1.46 0.00 0.00 175.22 174.89 3fax n LYS 608 N 7.89 2.26 0.00 10.12 5.02 -1.26 -5.00 118.16 137.19 3fax n LYS 608 Ca 0.03 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 3fax n LYS 608 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3fax n LYS 608 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fax n GLY 609 N -0.69 1.23 0.39 0.72 0.00 -1.26 -4.98 105.19 100.60 3fax n GLY 609 Ca 0.04 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.05 3fax n GLY 609 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3fax h ARG 610 N 0.00 0.29 0.00 1.61 0.11 -1.95 0.84 114.38 115.28 3fax h ARG 610 Ca 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 3fax h ARG 610 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.01 3fax h ARG 610 CO 0.00 0.19 -0.11 -0.56 0.10 0.00 0.00 179.97 179.59 3fax h GLN 611 N 0.30 0.00 -0.13 0.08 -0.00 -1.89 -2.41 115.11 111.04 3fax h GLN 611 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 3fax h GLN 611 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 3fax h GLN 611 CO -0.09 0.11 0.00 -0.25 -0.00 0.00 0.00 178.83 178.60 3fax n ASP 612 N -3.99 0.97 -4.71 0.06 8.00 0.29 -4.59 116.55 112.58 3fax n ASP 612 Ca -0.02 -1.76 -0.38 0.00 0.71 0.00 0.00 54.79 53.34 3fax n ASP 612 Cb 0.20 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 3fax n ASP 612 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fax s ALA 613 N -1.82 3.51 -0.42 2.24 0.00 -0.91 -4.89 121.76 119.47 3fax s ALA 613 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3fax s ALA 613 Cb 0.12 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.72 3fax s ALA 613 CO 0.18 -0.09 0.21 0.08 0.00 0.00 0.00 175.76 176.13 3fax s VAL 614 N 0.85 3.20 0.19 0.00 1.01 -1.26 -1.78 120.40 122.61 3fax s VAL 614 Ca 0.23 -2.20 -0.22 0.00 0.00 0.00 0.00 61.98 59.79 3fax s VAL 614 Cb -0.15 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 3fax s VAL 614 CO 0.09 -0.70 0.73 -0.63 0.00 0.00 0.00 175.10 174.58 3fax s ILE 615 N 0.97 4.51 -0.24 2.22 1.01 0.55 -1.48 121.20 128.74 3fax s ILE 615 Ca 0.10 1.44 0.01 0.00 0.00 0.00 0.00 60.65 62.19 3fax s ILE 615 Cb -0.22 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.34 3fax s ILE 615 CO -0.04 0.36 -0.06 -0.47 0.00 0.00 0.00 174.94 174.73 3fax s TYR 616 N -1.34 2.49 -0.41 3.97 5.04 0.78 -0.66 117.35 127.22 3fax s TYR 616 Ca 0.39 -1.82 -0.23 0.00 -2.44 0.00 0.00 57.07 52.98 3fax s TYR 616 Cb -0.19 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.52 3fax s TYR 616 CO 0.23 -0.79 0.75 -2.00 -1.34 0.00 0.00 175.55 172.40 3fax s GLU 617 N 1.36 3.52 0.01 4.97 2.12 -0.37 0.22 118.70 130.53 3fax s GLU 617 Ca -0.06 -0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.32 3fax s GLU 617 Cb -0.19 -3.89 -0.02 0.00 0.26 0.00 0.00 34.13 30.30 3fax s GLU 617 CO -0.06 -0.99 -0.16 0.00 -0.54 0.00 0.00 175.26 173.52 3fax s ALA 618 N 3.12 1.32 -0.07 6.30 0.00 0.10 -1.45 121.76 131.07 3fax s ALA 618 Ca 0.29 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 3fax s ALA 618 Cb -0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3fax s ALA 618 CO 0.20 0.30 0.44 -1.58 0.00 0.00 0.00 175.76 175.12 3fax s HIS 619 N -0.55 3.60 0.31 0.00 2.46 -1.26 -1.79 115.29 118.05 3fax s HIS 619 Ca 0.05 0.92 -0.00 0.00 0.47 0.00 0.00 55.06 56.50 3fax s HIS 619 Cb -0.07 -2.44 0.50 0.00 -0.13 0.00 0.00 32.58 30.44 3fax s HIS 619 CO 0.00 0.36 1.94 0.28 -2.47 0.00 0.00 174.74 174.85 3fax h VAL 620 N 4.31 1.20 0.48 0.89 2.07 -1.94 -1.91 116.25 121.35 3fax h VAL 620 Ca -0.45 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3fax h VAL 620 Cb 1.19 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3fax h VAL 620 CO 0.70 0.22 -0.23 -0.09 0.02 0.00 0.00 177.57 178.19 3fax h ARG 621 N 0.91 -0.62 -0.65 1.57 9.65 -1.94 -3.32 114.38 119.98 3fax h ARG 621 Ca 0.23 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.27 3fax h ARG 621 Cb 0.03 0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 28.63 3fax h ARG 621 CO -0.04 -0.32 -0.30 -0.44 2.80 0.00 0.00 179.97 181.67 3fax h ASP 622 N -0.94 -1.07 -0.22 -3.80 5.19 -1.72 -0.70 116.42 113.17 3fax h ASP 622 Ca -0.07 0.23 0.06 0.00 -0.62 0.00 0.00 57.03 56.64 3fax h ASP 622 Cb 0.59 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 3fax h ASP 622 CO 0.11 -0.29 0.25 0.15 -3.12 0.00 0.00 179.24 176.34 3fax h PHE 623 N -0.11 0.00 0.00 4.55 3.57 -1.45 -2.52 116.94 120.97 3fax h PHE 623 Ca 0.27 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3fax h PHE 623 Cb 0.55 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 3fax h PHE 623 CO -0.64 0.00 -0.54 0.25 -2.23 0.00 0.00 178.31 175.15 3fax n THR 624 N -3.76 0.51 1.54 4.41 -2.24 -0.81 -4.81 114.28 109.11 3fax n THR 624 Ca 0.03 -0.89 0.14 0.00 -2.27 0.00 0.00 64.05 61.06 3fax n THR 624 Cb 0.38 0.42 0.64 0.00 -2.10 0.00 0.00 70.33 69.68 3fax n THR 624 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3fax n SER 625 N -0.23 0.67 -4.74 3.42 3.41 -0.33 -3.88 113.62 111.94 3fax n SER 625 Ca 0.06 -0.92 -0.41 0.00 -0.26 0.00 0.00 58.87 57.33 3fax n SER 625 Cb 0.79 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3fax n SER 625 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fax s ASP 626 N -2.26 6.69 0.35 4.04 -1.08 -1.26 -4.92 116.67 118.23 3fax s ASP 626 Ca 0.35 2.61 0.03 0.00 -0.52 0.00 0.00 52.55 55.02 3fax s ASP 626 Cb 0.21 -2.62 0.66 0.00 -1.46 0.00 0.00 42.92 39.71 3fax s ASP 626 CO 0.42 -0.69 1.98 1.56 0.52 0.00 0.00 175.17 178.96 3fax h GLN 627 N 5.36 0.82 0.00 4.34 4.20 -1.94 -2.88 115.11 125.01 3fax h GLN 627 Ca -0.45 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3fax h GLN 627 Cb 1.22 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3fax h GLN 627 CO 0.80 0.54 0.00 0.66 -0.67 0.00 0.00 178.83 180.16 3fax h SER 628 N 0.84 0.00 -0.09 1.46 4.64 -1.99 -2.05 113.55 116.36 3fax h SER 628 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3fax h SER 628 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3fax h SER 628 CO -0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 3fax n LEU 629 N -2.99 0.49 0.00 5.97 4.77 -1.09 -4.31 117.00 119.83 3fax n LEU 629 Ca -0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3fax n LEU 629 Cb 0.07 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3fax n LEU 629 CO 0.19 0.12 0.37 0.47 -1.33 0.00 0.00 177.39 177.22 3fax n ASP 630 N -0.24 0.00 -4.32 -1.43 9.92 -0.77 -4.90 116.55 114.81 3fax n ASP 630 Ca 0.03 0.20 -0.47 0.00 -0.53 0.00 0.00 54.79 54.02 3fax n ASP 630 Cb 0.08 -0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 3fax n ASP 630 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3fax s GLY 631 N -2.25 2.46 0.03 0.44 0.00 -1.26 -5.21 107.32 101.53 3fax s GLY 631 Ca 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 44.72 41.65 3fax s GLY 631 CO 0.00 1.24 -0.03 1.17 0.00 0.00 0.00 173.10 175.48 3fax n LYS 634 N 4.41 0.04 -2.47 2.90 3.00 -1.26 -5.19 118.16 119.59 3fax n LYS 634 Ca 0.04 0.02 -0.28 0.00 -0.00 0.00 0.00 58.31 58.09 3fax n LYS 634 Cb 0.44 -0.37 0.01 0.00 0.00 0.00 0.00 35.03 35.11 3fax n LYS 634 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3fax s ASN 635 N -5.45 6.03 0.94 3.14 0.01 -1.26 -5.04 114.94 113.31 3fax s ASN 635 Ca -0.02 0.91 -0.11 0.00 -0.71 0.00 0.00 52.86 52.93 3fax s ASN 635 Cb 0.00 -2.09 0.13 0.00 0.41 0.00 0.00 41.25 39.70 3fax s ASN 635 CO 0.03 -0.77 0.97 1.67 -1.51 0.00 0.00 177.10 177.49 3fax n GLN 636 N -2.42 -0.53 -2.00 -0.60 7.27 -1.26 -4.73 117.38 113.11 3fax n GLN 636 Ca 0.02 -0.09 -0.41 0.00 0.07 0.00 0.00 57.00 56.59 3fax n GLN 636 Cb 0.56 -2.25 -0.02 0.00 2.41 0.00 0.00 30.24 30.94 3fax n GLN 636 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3fax s LEU 637 N -5.39 4.38 -1.31 1.69 2.96 -1.26 -3.92 118.68 115.84 3fax s LEU 637 Ca 0.65 2.67 -0.05 0.00 -0.22 0.00 0.00 54.13 57.18 3fax s LEU 637 Cb -0.23 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.86 3fax s LEU 637 CO 0.60 -0.72 1.04 0.61 -1.32 0.00 0.00 176.35 176.57 3fax n GLY 638 N 2.33 -0.44 3.46 7.98 0.00 -1.25 -5.00 105.19 112.26 3fax n GLY 638 Ca 0.07 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3fax n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fax s THR 639 N -3.37 1.52 0.25 2.61 -4.23 -1.25 -4.40 115.64 106.76 3fax s THR 639 Ca 0.29 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3fax s THR 639 Cb -0.13 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3fax s THR 639 CO 0.75 -0.15 1.83 -0.26 -0.54 0.00 0.00 174.62 176.24 3fax h PHE 640 N 2.15 0.95 -0.07 3.99 0.04 -1.47 0.33 116.94 122.85 3fax h PHE 640 Ca -0.41 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.30 3fax h PHE 640 Cb 1.24 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3fax h PHE 640 CO 0.65 0.42 -0.39 0.00 -0.60 0.00 0.00 178.31 178.38 3fax h ALA 641 N 1.45 1.21 -0.05 2.45 0.00 -1.86 -2.33 119.26 120.12 3fax h ALA 641 Ca 0.40 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fax h ALA 641 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fax h ALA 641 CO -0.22 0.55 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 3fax h ALA 642 N 1.47 0.07 -0.85 0.00 0.00 -1.62 -3.31 119.26 115.02 3fax h ALA 642 Ca 0.01 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.84 3fax h ALA 642 Cb 0.76 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3fax h ALA 642 CO 0.06 -0.14 0.37 0.35 0.00 0.00 0.00 179.25 179.89 3fax h PHE 643 N -0.32 0.63 -0.21 0.00 3.57 -0.64 -0.66 116.94 119.31 3fax h PHE 643 Ca 0.01 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3fax h PHE 643 Cb 0.54 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3fax h PHE 643 CO 0.09 0.04 0.14 0.66 -2.23 0.00 0.00 178.31 177.01 3fax h SER 644 N 0.47 0.16 0.67 0.41 4.64 -1.51 -2.12 113.55 116.25 3fax h SER 644 Ca 0.49 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 3fax h SER 644 Cb 0.84 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3fax h SER 644 CO -0.46 0.11 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.23 3fax h GLU 645 N 0.18 0.00 -0.41 4.77 5.08 -1.24 -2.71 114.58 120.25 3fax h GLU 645 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3fax h GLU 645 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3fax h GLU 645 CO -0.02 0.05 0.04 1.63 -1.00 0.00 0.00 179.01 179.72 3fax n LYS 646 N -3.24 3.19 0.09 2.33 4.76 -0.80 -4.60 118.16 119.89 3fax n LYS 646 Ca -0.01 -2.98 -0.06 0.00 -2.87 0.00 0.00 58.31 52.39 3fax n LYS 646 Cb 0.26 -1.97 0.09 0.00 -1.84 0.00 0.00 35.03 31.56 3fax n LYS 646 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3fax h LEU 647 N 2.14 0.26 -1.26 -0.35 3.38 -1.52 -3.23 115.31 114.73 3fax h LEU 647 Ca 0.08 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fax h LEU 647 Cb 1.72 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 3fax h LEU 647 CO 0.38 0.86 0.52 0.44 0.09 0.00 0.00 178.44 180.73 3fax h ASP 648 N 0.15 0.83 0.04 -0.43 3.32 -1.82 0.15 116.42 118.66 3fax h ASP 648 Ca -0.02 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3fax h ASP 648 Cb 1.21 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 3fax h ASP 648 CO 0.10 0.58 -0.40 0.22 -1.72 0.00 0.00 179.24 178.02 3fax h TYR 649 N 0.97 -1.12 -0.37 4.55 3.20 -1.90 0.29 116.97 122.58 3fax h TYR 649 Ca 0.31 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 3fax h TYR 649 Cb 0.03 0.49 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3fax h TYR 649 CO -0.00 -0.49 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.96 3fax h LEU 650 N -0.58 0.55 -0.50 2.82 3.38 -1.38 0.33 115.31 119.93 3fax h LEU 650 Ca 0.04 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fax h LEU 650 Cb 0.64 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3fax h LEU 650 CO -0.28 0.63 0.27 -0.61 0.09 0.00 0.00 178.44 178.53 3fax h GLN 651 N 0.56 0.51 -0.38 1.13 4.15 -0.42 -1.88 115.11 118.77 3fax h GLN 651 Ca 0.12 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 3fax h GLN 651 Cb 0.36 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3fax h GLN 651 CO 0.01 0.34 -0.32 0.87 -1.93 0.00 0.00 178.83 177.80 3fax h LYS 652 N 0.52 0.84 -0.21 1.69 1.57 0.06 -2.87 116.57 118.18 3fax h LYS 652 Ca 0.21 -0.40 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3fax h LYS 652 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3fax h LYS 652 CO -0.13 1.04 0.16 1.25 -0.57 0.00 0.00 179.45 181.19 3fax h LEU 653 N 0.71 0.00 0.00 2.94 5.85 -0.07 -3.47 115.31 121.28 3fax h LEU 653 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3fax h LEU 653 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3fax h LEU 653 CO 0.08 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.79 3fax n GLY 654 N -1.57 0.45 3.69 3.75 0.00 -0.74 -4.61 105.19 106.16 3fax n GLY 654 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3fax n GLY 654 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fax n VAL 655 N -2.00 4.41 -0.03 1.61 0.24 -1.24 -4.93 118.33 116.40 3fax n VAL 655 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.69 3fax n VAL 655 Cb 0.00 -1.39 -0.14 0.00 -1.47 0.00 0.00 33.84 30.83 3fax n VAL 655 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3fax n THR 656 N -1.75 1.60 -4.24 3.34 -2.24 -0.55 -4.87 114.28 105.56 3fax n THR 656 Ca 0.15 -0.77 -0.19 0.00 -2.27 0.00 0.00 64.05 60.97 3fax n THR 656 Cb 0.47 -1.08 -0.15 0.00 -2.10 0.00 0.00 70.33 67.47 3fax n THR 656 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fax s HIS 657 N -2.57 0.71 -0.31 4.78 3.76 -1.06 -0.82 115.29 119.78 3fax s HIS 657 Ca -0.10 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.52 3fax s HIS 657 Cb 0.07 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 3fax s HIS 657 CO 0.81 -0.09 0.28 0.42 -0.85 0.00 0.00 174.74 175.32 3fax s ILE 658 N 0.27 5.24 -0.28 0.60 1.01 0.16 -0.15 121.20 128.04 3fax s ILE 658 Ca -0.03 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.59 3fax s ILE 658 Cb -0.08 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3fax s ILE 658 CO 0.00 0.08 0.36 -1.58 0.00 0.00 0.00 174.94 173.79 3fax s GLN 659 N 1.88 3.98 -0.22 2.79 0.74 0.13 -0.75 119.66 128.22 3fax s GLN 659 Ca 0.10 -0.02 -0.13 0.00 0.05 0.00 0.00 55.36 55.36 3fax s GLN 659 Cb -0.16 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.23 3fax s GLN 659 CO 0.11 -0.29 0.25 -0.51 -0.55 0.00 0.00 175.29 174.30 3fax s LEU 660 N 2.04 4.14 0.89 3.68 1.43 0.45 0.00 118.68 131.32 3fax s LEU 660 Ca 0.14 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.39 3fax s LEU 660 Cb -0.16 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3fax s LEU 660 CO 0.10 0.02 0.36 0.18 0.23 0.00 0.00 176.35 177.24 3fax n LEU 661 N 4.29 -0.34 -4.34 1.79 4.32 -0.74 -0.80 117.00 121.18 3fax n LEU 661 Ca -0.12 0.39 -0.57 0.00 -0.02 0.00 0.00 56.01 55.68 3fax n LEU 661 Cb 0.52 -1.18 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 3fax n LEU 661 CO 0.37 -3.66 1.72 -2.65 -1.22 0.00 0.00 177.39 171.94 3fax n PRO 662 N -1.16 0.36 0.04 3.23 -0.02 -1.25 -4.66 135.00 131.53 3fax n PRO 662 Ca 0.07 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 3fax n PRO 662 Cb 0.53 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 3fax n PRO 662 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fax n VAL 663 N 6.55 0.25 -1.54 -1.45 0.24 -1.26 -4.73 118.33 116.39 3fax n VAL 663 Ca 0.49 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.34 62.09 3fax n VAL 663 Cb 0.05 0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.55 3fax n VAL 663 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3fax s LEU 664 N -4.34 3.38 0.19 1.34 1.43 -1.26 -0.94 118.68 118.47 3fax s LEU 664 Ca 0.01 2.36 -0.33 0.00 -1.03 0.00 0.00 54.13 55.14 3fax s LEU 664 Cb 0.13 -4.59 -0.14 0.00 0.03 0.00 0.00 46.19 41.62 3fax s LEU 664 CO 0.81 -2.14 1.52 -0.24 0.23 0.00 0.00 176.35 176.54 3fax n SER 665 N -2.52 2.98 -4.42 2.29 2.88 0.10 -4.14 113.62 110.80 3fax n SER 665 Ca 0.13 1.10 -0.24 0.00 -1.33 0.00 0.00 58.87 58.54 3fax n SER 665 Cb 0.50 -1.43 -0.11 0.00 -0.75 0.00 0.00 64.21 62.43 3fax n SER 665 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3fax s TYR 666 N 0.59 2.15 -0.11 0.66 -0.85 -1.26 -1.55 117.35 116.98 3fax s TYR 666 Ca 0.75 -0.39 -0.14 0.00 -0.52 0.00 0.00 57.07 56.77 3fax s TYR 666 Cb -0.67 -1.01 -0.12 0.00 0.38 0.00 0.00 41.96 40.54 3fax s TYR 666 CO 0.42 0.54 0.41 0.35 -1.52 0.00 0.00 175.55 175.75 3fax h PHE 667 N 2.78 -0.02 -1.00 -3.49 3.57 -1.52 -3.43 116.94 113.83 3fax h PHE 667 Ca -0.42 -0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.46 3fax h PHE 667 Cb 1.23 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 3fax h PHE 667 CO 0.74 0.44 1.75 0.71 -2.23 0.00 0.00 178.31 179.72 3fax s TYR 668 N -2.01 2.60 0.05 0.41 1.51 -1.26 -4.32 117.35 114.34 3fax s TYR 668 Ca -0.09 -1.09 -0.27 0.00 -1.01 0.00 0.00 57.07 54.61 3fax s TYR 668 Cb -0.01 -4.70 0.08 0.00 -0.11 0.00 0.00 41.96 37.22 3fax s TYR 668 CO 0.34 -1.87 0.73 0.14 -1.11 0.00 0.00 175.55 173.77 3fax s VAL 669 N 4.90 0.00 -0.37 0.71 -7.23 -1.26 -4.83 120.40 112.31 3fax s VAL 669 Ca 0.50 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 3fax s VAL 669 Cb 0.01 -1.00 0.10 0.00 0.56 0.00 0.00 36.38 36.06 3fax s VAL 669 CO -0.03 0.00 0.13 0.21 -0.31 0.00 0.00 175.10 175.10 3fax s ASN 670 N -2.31 5.02 0.00 4.85 2.47 -1.26 -0.45 114.94 123.26 3fax s ASN 670 Ca 0.00 -2.05 0.18 0.00 0.42 0.00 0.00 52.86 51.41 3fax s ASN 670 Cb -0.01 -1.73 0.85 0.00 -1.45 0.00 0.00 41.25 38.91 3fax s ASN 670 CO -0.07 -0.46 1.57 -0.62 -3.72 0.00 0.00 177.10 173.80 3fax n GLU 671 N 4.44 0.13 0.00 0.43 1.02 -0.54 -1.89 120.64 124.24 3fax n GLU 671 Ca -0.00 0.15 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 3fax n GLU 671 Cb 0.42 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.69 3fax n GLU 671 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3fax n MET 672 N -1.39 0.78 -3.66 3.49 2.81 -1.26 -4.68 117.12 113.20 3fax n MET 672 Ca 0.07 -0.46 -0.38 0.00 -1.81 0.00 0.00 57.70 55.11 3fax n MET 672 Cb 0.18 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 3fax n MET 672 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3fax s ASP 673 N -2.54 5.47 0.00 7.83 2.15 -0.79 -4.90 116.67 123.88 3fax s ASP 673 Ca 0.23 -2.55 0.23 0.00 0.43 0.00 0.00 52.55 50.89 3fax s ASP 673 Cb 0.19 -1.91 0.57 0.00 -0.30 0.00 0.00 42.92 41.47 3fax s ASP 673 CO 0.54 -0.47 1.47 0.29 -0.17 0.00 0.00 175.17 176.82 3fax n LYS 674 N 3.95 2.12 -2.01 4.34 5.02 -1.26 -4.92 118.16 125.40 3fax n LYS 674 Ca 0.04 -1.68 -0.40 0.00 -2.02 0.00 0.00 58.31 54.26 3fax n LYS 674 Cb 0.40 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3fax n LYS 674 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fax s SER 675 N -1.64 6.31 0.12 4.39 1.04 -1.26 -4.95 113.70 117.71 3fax s SER 675 Ca 0.35 2.71 -0.31 0.00 0.48 0.00 0.00 55.95 59.18 3fax s SER 675 Cb 0.20 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 3fax s SER 675 CO 0.30 -0.86 1.30 -0.60 0.98 0.00 0.00 173.24 174.35 3fax s ARG 676 N -2.21 4.38 -0.38 4.02 3.52 -1.26 -5.00 118.95 122.02 3fax s ARG 676 Ca 0.56 1.96 -0.24 0.00 -0.13 0.00 0.00 55.73 57.89 3fax s ARG 676 Cb -0.39 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3fax s ARG 676 CO 0.51 -0.31 0.82 -1.54 -0.81 0.00 0.00 175.30 173.97 3fax s SER 677 N 0.83 6.56 -0.07 -2.12 1.04 -1.26 -4.92 113.70 113.76 3fax s SER 677 Ca 0.60 0.35 0.20 0.00 0.48 0.00 0.00 55.95 57.59 3fax s SER 677 Cb -0.34 -2.41 -0.28 0.00 0.10 0.00 0.00 66.02 63.08 3fax s SER 677 CO 0.32 -0.78 0.39 0.35 0.98 0.00 0.00 173.24 174.50 3fax n THR 678 N 5.88 0.55 -2.24 2.02 -2.24 -1.26 -2.24 114.28 114.75 3fax n THR 678 Ca 0.04 -0.63 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 3fax n THR 678 Cb 0.48 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 3fax n THR 678 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fax s ALA 679 N -3.14 3.25 -0.55 6.98 0.00 -1.26 -4.66 121.76 122.37 3fax s ALA 679 Ca -0.08 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 3fax s ALA 679 Cb 0.11 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3fax s ALA 679 CO 0.87 -0.56 0.98 0.71 0.00 0.00 0.00 175.76 177.76 3fax s TYR 680 N -1.32 2.77 0.09 0.00 2.02 -1.26 -4.58 117.35 115.07 3fax s TYR 680 Ca 0.55 0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 57.22 3fax s TYR 680 Cb -0.33 -4.13 -0.01 0.00 -0.40 0.00 0.00 41.96 37.08 3fax s TYR 680 CO 0.43 -1.38 0.16 0.95 -1.57 0.00 0.00 175.55 174.14 3fax s THR 681 N 4.09 0.15 -0.11 -0.71 -4.23 -1.26 -4.58 115.64 108.98 3fax s THR 681 Ca 0.32 -1.28 0.17 0.00 -1.18 0.00 0.00 61.69 59.72 3fax s THR 681 Cb -0.12 -1.40 0.25 0.00 1.34 0.00 0.00 72.50 72.58 3fax s THR 681 CO 0.20 -0.68 1.13 -1.54 -0.54 0.00 0.00 174.62 173.20 3fax n SER 682 N -0.05 2.22 -3.76 3.99 3.41 -1.26 -1.77 113.62 116.41 3fax n SER 682 Ca -0.14 -2.95 -0.10 0.00 -0.26 0.00 0.00 58.87 55.41 3fax n SER 682 Cb 0.62 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 3fax n SER 682 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3fax s SER 683 N -2.65 -0.04 -1.25 4.04 0.01 -0.98 -4.39 113.70 108.43 3fax s SER 683 Ca 0.28 -0.47 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 3fax s SER 683 Cb 0.25 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.87 3fax s SER 683 CO 0.03 -0.76 0.64 0.47 0.41 0.00 0.00 173.24 174.02 3fax n ASP 684 N -0.05 -3.29 -4.23 2.44 8.00 -1.25 -4.84 116.55 113.33 3fax n ASP 684 Ca -0.16 -1.05 -0.28 0.00 0.71 0.00 0.00 54.79 54.01 3fax n ASP 684 Cb 0.63 -3.02 -0.16 0.00 -0.02 0.00 0.00 41.12 38.54 3fax n ASP 684 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3fax s ASN 685 N -3.81 2.54 0.50 -2.24 0.01 -1.24 -5.01 114.94 105.69 3fax s ASN 685 Ca 0.30 -0.40 0.34 0.00 -0.71 0.00 0.00 52.86 52.39 3fax s ASN 685 Cb -0.12 -0.39 1.78 0.00 0.41 0.00 0.00 41.25 42.93 3fax s ASN 685 CO 0.89 0.25 2.02 -1.13 -1.51 0.00 0.00 177.10 177.62 3fax h ASN 686 N 5.74 0.00 -3.09 -1.22 -1.24 -1.92 -3.42 115.58 110.43 3fax h ASN 686 Ca -0.38 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.05 3fax h ASN 686 Cb 1.14 0.00 0.12 0.00 0.73 0.00 0.00 38.32 40.32 3fax h ASN 686 CO 0.48 0.00 0.28 0.00 -1.29 0.00 0.00 177.43 176.90 3fax n TYR 687 N -2.70 1.58 -3.67 0.67 9.36 -1.26 -4.73 117.16 116.40 3fax n TYR 687 Ca -0.02 0.57 -0.09 0.00 3.32 0.00 0.00 57.90 61.69 3fax n TYR 687 Cb 0.08 -2.29 -0.09 0.00 -0.63 0.00 0.00 39.34 36.41 3fax n TYR 687 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3fax s ASN 688 N -0.59 -0.71 0.25 2.98 3.84 -1.25 -4.63 114.94 114.83 3fax s ASN 688 Ca 0.60 1.18 -0.06 0.00 0.21 0.00 0.00 52.86 54.80 3fax s ASN 688 Cb -0.58 1.09 0.29 0.00 -0.55 0.00 0.00 41.25 41.50 3fax s ASN 688 CO 0.59 -0.22 1.91 -0.50 -2.79 0.00 0.00 177.10 176.09 3fax h TRP 689 N 7.12 1.21 0.00 0.43 6.55 -1.88 -3.47 115.95 125.91 3fax h TRP 689 Ca -0.33 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.54 3fax h TRP 689 Cb 1.20 -0.41 0.00 0.00 -0.86 0.00 0.00 29.16 29.09 3fax h TRP 689 CO 0.16 0.73 0.00 0.41 -1.05 0.00 0.00 178.44 178.69 3fax n GLY 690 N -1.37 1.74 1.94 1.49 0.00 -1.26 -3.89 105.19 103.84 3fax n GLY 690 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3fax n GLY 690 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fax n TYR 691 N -0.60 2.28 -3.65 1.61 4.01 -1.26 -4.45 117.16 115.11 3fax n TYR 691 Ca 0.00 -1.66 -0.28 0.00 -0.16 0.00 0.00 57.90 55.80 3fax n TYR 691 Cb 0.00 -0.84 -0.11 0.00 -0.31 0.00 0.00 39.34 38.08 3fax n TYR 691 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fax s ASP 692 N -0.71 3.17 0.29 7.72 1.01 -1.26 -4.92 116.67 121.97 3fax s ASP 692 Ca 0.43 -3.38 -0.29 0.00 0.71 0.00 0.00 52.55 50.02 3fax s ASP 692 Cb 0.36 -1.03 -0.10 0.00 1.01 0.00 0.00 42.92 43.16 3fax s ASP 692 CO 0.07 -0.14 1.33 -2.84 0.21 0.00 0.00 175.17 173.80 3fax s PRO 693 N -0.59 4.35 -0.18 8.23 0.02 -1.26 -1.40 135.00 144.18 3fax s PRO 693 Ca 0.28 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.49 3fax s PRO 693 Cb -0.03 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.28 3fax s PRO 693 CO -0.16 -0.24 -0.17 0.94 -0.33 0.00 0.00 177.00 177.04 3fax n GLN 694 N 1.47 0.43 -4.11 5.54 7.27 -0.59 0.41 117.38 127.79 3fax n GLN 694 Ca 0.03 0.11 -0.14 0.00 0.07 0.00 0.00 57.00 57.06 3fax n GLN 694 Cb 0.42 -1.31 -0.11 0.00 2.41 0.00 0.00 30.24 31.64 3fax n GLN 694 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3fax s SER 695 N -5.85 1.16 -0.00 1.69 0.15 -1.15 -4.98 113.70 104.73 3fax s SER 695 Ca -0.24 -0.63 0.18 0.00 0.70 0.00 0.00 55.95 55.97 3fax s SER 695 Cb 0.07 0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 64.18 3fax s SER 695 CO 0.39 -0.19 0.77 -1.22 1.20 0.00 0.00 173.24 174.18 3fax n TYR 696 N 1.21 0.00 -0.02 3.44 4.01 -1.26 -4.14 117.16 120.39 3fax n TYR 696 Ca -0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.52 3fax n TYR 696 Cb 0.55 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 3fax n TYR 696 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fax n PHE 697 N -1.48 0.00 -3.54 -0.72 3.72 -1.26 -4.84 117.46 109.34 3fax n PHE 697 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.07 3fax n PHE 697 Cb 0.30 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 3fax n PHE 697 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fax s ALA 698 N -2.16 3.60 0.72 4.37 0.00 -1.10 -4.77 121.76 122.42 3fax s ALA 698 Ca -0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 3fax s ALA 698 Cb 0.02 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.78 3fax s ALA 698 CO 0.18 0.11 1.08 -0.51 0.00 0.00 0.00 175.76 176.62 3fax s LEU 699 N 0.39 3.14 0.33 0.00 1.43 -1.26 0.03 118.68 122.74 3fax s LEU 699 Ca 0.17 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.75 3fax s LEU 699 Cb -0.13 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.48 3fax s LEU 699 CO 0.04 -1.68 1.08 -0.55 0.23 0.00 0.00 176.35 175.47 3fax s SER 700 N -3.44 7.04 0.43 2.29 0.15 -0.11 -4.01 113.70 116.06 3fax s SER 700 Ca 0.61 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.72 3fax s SER 700 Cb -0.16 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.47 3fax s SER 700 CO 0.53 -0.30 1.81 1.23 1.20 0.00 0.00 173.24 177.70 3fax h GLY 701 N 3.26 0.00 1.26 9.45 0.00 -1.92 -3.34 103.07 111.78 3fax h GLY 701 Ca -0.47 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.96 3fax h GLY 701 CO 0.65 0.00 0.27 1.98 0.00 0.00 0.00 176.54 179.44 3fax h MET 702 N 0.00 0.05 -0.62 4.80 1.85 -1.92 -1.41 114.93 117.69 3fax h MET 702 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3fax h MET 702 Cb 0.66 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.68 3fax h MET 702 CO 0.00 0.04 0.00 0.66 -0.40 0.00 0.00 176.91 177.21 3fax n TYR 703 N -4.44 1.74 -4.17 1.39 4.01 -1.25 -4.82 117.16 109.61 3fax n TYR 703 Ca 0.06 -0.67 -0.33 0.00 -0.16 0.00 0.00 57.90 56.80 3fax n TYR 703 Cb 0.42 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 3fax n TYR 703 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3fax s SER 704 N -0.88 5.51 0.20 7.72 0.15 -0.53 -1.11 113.70 124.75 3fax s SER 704 Ca 0.53 0.13 0.03 0.00 0.70 0.00 0.00 55.95 57.33 3fax s SER 704 Cb 0.37 -1.56 0.12 0.00 -1.71 0.00 0.00 66.02 63.24 3fax s SER 704 CO 0.21 0.30 1.47 -0.33 1.20 0.00 0.00 173.24 176.08 3fax h GLU 705 N 4.37 0.24 -2.95 5.44 5.08 -1.92 -3.38 114.58 121.46 3fax h GLU 705 Ca -0.50 -0.21 -0.62 0.00 -1.00 0.00 0.00 59.36 57.04 3fax h GLU 705 Cb 1.18 0.05 -0.42 0.00 0.50 0.00 0.00 28.75 30.06 3fax h GLU 705 CO 0.60 0.87 -0.56 1.63 -1.00 0.00 0.00 179.01 180.55 3fax n LYS 706 N -3.78 1.97 0.29 2.33 5.02 -1.26 -4.95 118.16 117.78 3fax n LYS 706 Ca -0.03 -4.53 0.19 0.00 -2.02 0.00 0.00 58.31 51.92 3fax n LYS 706 Cb 0.71 -2.29 0.80 0.00 -0.02 0.00 0.00 35.03 34.23 3fax n LYS 706 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3fax h PRO 707 N 5.21 0.00 0.00 1.97 0.13 -1.82 -2.41 132.00 135.08 3fax h PRO 707 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 3fax h PRO 707 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3fax h PRO 707 CO 0.74 0.00 -0.38 0.87 -0.23 0.00 0.00 178.00 179.01 3fax h LYS 708 N 0.00 0.00 -5.51 0.86 1.57 -1.94 -3.22 116.57 108.33 3fax h LYS 708 Ca -0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3fax h LYS 708 Cb 0.41 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.57 3fax h LYS 708 CO 0.00 0.38 0.37 0.34 -0.57 0.00 0.00 179.45 179.97 3fax s ASP 709 N -6.37 6.29 0.56 0.86 -1.08 -0.91 -4.73 116.67 111.29 3fax s ASP 709 Ca 0.03 -0.59 0.34 0.00 -0.52 0.00 0.00 52.55 51.80 3fax s ASP 709 Cb 0.09 -2.38 1.51 0.00 -1.46 0.00 0.00 42.92 40.68 3fax s ASP 709 CO 0.70 -1.12 2.04 1.55 0.52 0.00 0.00 175.17 178.87 3fax h PRO 710 N 9.21 0.00 0.00 4.34 0.13 -1.79 -1.81 132.00 142.08 3fax h PRO 710 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 3fax h PRO 710 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3fax h PRO 710 CO 1.05 0.03 -0.27 0.77 -0.23 0.00 0.00 178.00 179.35 3fax h SER 711 N 0.00 0.00 -0.13 1.44 0.02 -1.91 -3.37 113.55 109.60 3fax h SER 711 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3fax h SER 711 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3fax h SER 711 CO 0.00 0.27 0.06 0.00 -1.14 0.00 0.00 176.83 176.02 3fax h ALA 712 N 1.73 0.16 -0.79 3.77 0.00 -1.59 -2.82 119.26 119.72 3fax h ALA 712 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3fax h ALA 712 Cb 0.87 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 3fax h ALA 712 CO 0.03 -0.27 -0.39 0.00 0.00 0.00 0.00 179.25 178.62 3fax h ARG 713 N 0.07 -0.09 -0.11 0.00 3.08 -1.73 0.40 114.38 116.00 3fax h ARG 713 Ca 0.04 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3fax h ARG 713 Cb 0.13 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3fax h ARG 713 CO -0.01 -0.06 0.04 0.82 -1.07 0.00 0.00 179.97 179.69 3fax h ILE 714 N -0.09 1.17 -0.62 2.04 2.04 -1.75 0.26 117.51 120.54 3fax h ILE 714 Ca 0.27 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3fax h ILE 714 Cb 0.57 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3fax h ILE 714 CO -0.83 0.15 0.24 0.00 0.00 0.00 0.00 178.15 177.71 3fax h ALA 715 N 0.86 1.24 0.07 1.87 0.00 -1.19 -1.27 119.26 120.84 3fax h ALA 715 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fax h ALA 715 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fax h ALA 715 CO -0.00 0.55 -0.04 0.93 0.00 0.00 0.00 179.25 180.69 3fax h GLU 716 N 0.90 -0.10 -0.68 0.00 5.08 0.31 -0.29 114.58 119.80 3fax h GLU 716 Ca 0.21 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3fax h GLU 716 Cb 0.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3fax h GLU 716 CO -0.02 0.28 0.41 1.25 -1.00 0.00 0.00 179.01 179.93 3fax h LEU 717 N -0.48 0.82 -1.14 1.33 5.85 -0.46 -0.11 115.31 121.12 3fax h LEU 717 Ca -0.01 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3fax h LEU 717 Cb 0.41 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3fax h LEU 717 CO 0.02 0.64 0.59 0.11 -0.34 0.00 0.00 178.44 179.46 3fax h LYS 718 N 0.93 1.03 -0.35 1.25 1.57 -1.22 -0.02 116.57 119.76 3fax h LYS 718 Ca 0.24 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3fax h LYS 718 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3fax h LYS 718 CO -0.05 0.68 0.07 0.37 -0.57 0.00 0.00 179.45 179.95 3fax h GLN 719 N 1.06 0.57 0.12 3.15 5.75 0.03 -0.34 115.11 125.45 3fax h GLN 719 Ca 0.38 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 3fax h GLN 719 Cb 0.16 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3fax h GLN 719 CO -0.14 0.63 -0.06 1.25 -2.65 0.00 0.00 178.83 177.87 3fax h LEU 720 N 0.41 -0.14 -1.37 -2.39 5.85 -0.62 -0.47 115.31 116.57 3fax h LEU 720 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3fax h LEU 720 Cb 0.33 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3fax h LEU 720 CO 0.00 -0.10 0.16 0.40 -0.34 0.00 0.00 178.44 178.56 3fax h ILE 721 N -0.17 1.16 -0.11 4.05 2.04 -0.93 -0.07 117.51 123.48 3fax h ILE 721 Ca -0.02 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3fax h ILE 721 Cb 0.13 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3fax h ILE 721 CO 0.03 0.19 0.02 -0.74 0.00 0.00 0.00 178.15 177.65 3fax h HIS 722 N 0.58 0.20 -0.83 1.37 2.76 -0.83 -2.04 115.15 116.36 3fax h HIS 722 Ca 0.14 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.35 3fax h HIS 722 Cb 0.13 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3fax h HIS 722 CO 0.01 0.38 0.54 -0.44 -1.30 0.00 0.00 177.93 177.11 3fax h ASP 723 N -0.04 0.79 -0.50 3.26 3.32 -0.20 -1.33 116.42 121.73 3fax h ASP 723 Ca 0.03 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3fax h ASP 723 Cb 0.29 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3fax h ASP 723 CO 0.00 0.51 0.02 0.40 -1.72 0.00 0.00 179.24 178.45 3fax h ILE 724 N 0.90 1.26 -0.37 0.35 2.04 -0.97 -3.11 117.51 117.62 3fax h ILE 724 Ca 0.36 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 3fax h ILE 724 Cb 0.25 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3fax h ILE 724 CO -0.13 0.37 -0.15 0.45 0.00 0.00 0.00 178.15 178.69 3fax h HIS 725 N 0.74 0.74 0.00 1.37 3.86 -0.54 -1.90 115.15 119.42 3fax h HIS 725 Ca 0.14 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3fax h HIS 725 Cb 0.49 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 3fax h HIS 725 CO 0.04 0.78 -0.07 0.87 0.86 0.00 0.00 177.93 180.41 3fax h LYS 726 N 0.60 0.00 -0.56 2.45 1.57 -1.28 -2.19 116.57 117.16 3fax h LYS 726 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3fax h LYS 726 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3fax h LYS 726 CO 0.04 0.07 0.00 0.54 -0.57 0.00 0.00 179.45 179.53 3fax n ARG 727 N -3.52 2.48 -2.05 3.15 5.12 -0.75 -4.91 116.66 116.18 3fax n ARG 727 Ca -0.02 -1.61 -0.13 0.00 -1.93 0.00 0.00 57.85 54.16 3fax n ARG 727 Cb 0.20 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 3fax n ARG 727 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fax n GLY 728 N 0.82 0.17 1.76 -0.13 0.00 -0.82 -4.88 105.19 102.11 3fax n GLY 728 Ca 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 3fax n GLY 728 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fax n MET 729 N -2.31 1.19 -4.21 1.61 2.81 -0.99 -4.43 117.12 110.79 3fax n MET 729 Ca -0.15 -1.80 -0.13 0.00 -1.81 0.00 0.00 57.70 53.82 3fax n MET 729 Cb 0.57 0.63 -0.10 0.00 -0.71 0.00 0.00 33.22 33.62 3fax n MET 729 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3fax s GLY 730 N -2.34 1.52 0.03 3.03 0.00 0.00 -4.10 107.32 105.46 3fax s GLY 730 Ca 0.03 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.05 3fax s GLY 730 CO 0.02 -1.40 -0.03 -1.34 0.00 0.00 0.00 173.10 170.35 3fax s VAL 731 N -4.09 3.87 -0.11 1.40 -7.23 -1.26 -0.67 120.40 112.31 3fax s VAL 731 Ca 0.39 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 3fax s VAL 731 Cb 0.07 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3fax s VAL 731 CO 0.14 0.30 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.45 3fax s ILE 732 N -1.12 1.46 -0.22 -0.62 1.01 0.07 -1.51 121.20 120.27 3fax s ILE 732 Ca 0.20 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 3fax s ILE 732 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3fax s ILE 732 CO 0.11 0.43 0.27 -0.76 0.00 0.00 0.00 174.94 175.00 3fax s LEU 733 N 1.11 4.13 0.09 2.97 1.43 -0.50 -0.41 118.68 127.50 3fax s LEU 733 Ca -0.04 0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 3fax s LEU 733 Cb -0.14 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.71 3fax s LEU 733 CO -0.03 -0.00 1.45 -0.62 0.23 0.00 0.00 176.35 177.37 3fax s ASP 734 N 1.07 6.77 0.00 2.29 -1.08 0.02 -1.97 116.67 123.79 3fax s ASP 734 Ca 0.13 2.34 0.04 0.00 -0.52 0.00 0.00 52.55 54.53 3fax s ASP 734 Cb -0.14 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 3fax s ASP 734 CO 0.06 -0.72 -0.12 0.68 0.52 0.00 0.00 175.17 175.59 3fax s VAL 735 N 1.57 0.96 -0.60 1.11 -7.23 -0.51 -4.06 120.40 111.65 3fax s VAL 735 Ca 0.66 -0.61 0.06 0.00 -1.81 0.00 0.00 61.98 60.29 3fax s VAL 735 Cb -0.37 -0.82 0.26 0.00 0.56 0.00 0.00 36.38 36.01 3fax s VAL 735 CO 0.30 0.21 0.75 0.52 -0.31 0.00 0.00 175.10 176.57 3fax n VAL 736 N 2.60 2.10 0.17 1.32 0.31 -1.26 -1.97 118.33 121.61 3fax n VAL 736 Ca -0.15 -5.14 0.07 0.00 -0.01 0.00 0.00 64.34 59.11 3fax n VAL 736 Cb 0.56 -1.95 0.08 0.00 -0.91 0.00 0.00 33.84 31.62 3fax n VAL 736 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3fax h TYR 737 N 3.96 0.00 -0.95 3.52 0.05 -1.96 -3.34 116.97 118.24 3fax h TYR 737 Ca 0.17 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.15 3fax h TYR 737 Cb 0.67 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.33 3fax h TYR 737 CO 0.69 0.26 0.61 -2.95 -1.05 0.00 0.00 178.16 175.73 3fax h ASN 738 N 0.00 0.54 -5.22 3.88 7.08 -1.85 -3.37 115.58 116.64 3fax h ASN 738 Ca -0.01 0.06 -0.09 0.00 -3.08 0.00 0.00 56.30 53.19 3fax h ASN 738 Cb 1.21 -0.04 -0.12 0.00 -2.08 0.00 0.00 38.32 37.29 3fax h ASN 738 CO 0.03 0.21 -0.27 -1.38 -2.08 0.00 0.00 177.43 173.95 3fax s HIS 739 N -5.58 0.27 0.29 4.14 -3.43 -1.26 -3.02 115.29 106.71 3fax s HIS 739 Ca -0.09 -0.64 0.10 0.00 -0.80 0.00 0.00 55.06 53.62 3fax s HIS 739 Cb 0.23 0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 3fax s HIS 739 CO 0.79 -0.73 -0.01 0.95 -2.00 0.00 0.00 174.74 173.74 3fax s THR 740 N -3.94 3.10 0.16 -5.38 -4.23 0.54 -4.48 115.64 101.41 3fax s THR 740 Ca 0.14 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 3fax s THR 740 Cb 0.03 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 71.12 3fax s THR 740 CO -0.02 -0.32 1.74 0.00 -0.54 0.00 0.00 174.62 175.48 3fax h ALA 741 N 1.88 0.39 -3.53 3.99 0.00 -0.22 -3.02 119.26 118.75 3fax h ALA 741 Ca -0.43 0.06 -0.44 0.00 0.00 0.00 0.00 54.91 54.10 3fax h ALA 741 Cb 1.25 0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.77 3fax h ALA 741 CO 0.62 -0.31 -0.79 0.15 0.00 0.00 0.00 179.25 178.92 3fax s LYS 742 N -6.16 1.09 0.31 0.00 -0.14 -1.26 -3.91 119.74 109.66 3fax s LYS 742 Ca -0.13 -0.24 0.06 0.00 -1.36 0.00 0.00 55.97 54.30 3fax s LYS 742 Cb 0.12 -1.00 0.73 0.00 -1.68 0.00 0.00 37.83 36.01 3fax s LYS 742 CO 0.71 -0.00 1.79 1.15 -0.76 0.00 0.00 175.35 178.24 3fax h THR 743 N 5.91 0.75 0.00 2.17 2.02 -1.82 -1.16 112.91 120.78 3fax h THR 743 Ca -0.35 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 3fax h THR 743 Cb 1.17 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3fax h THR 743 CO 0.48 0.14 -0.02 0.10 0.37 0.00 0.00 175.52 176.59 3fax h TYR 744 N 0.78 0.00 -0.72 3.16 -0.00 -1.96 -2.04 116.97 116.19 3fax h TYR 744 Ca 0.56 0.00 0.15 0.00 0.00 0.00 0.00 58.73 59.44 3fax h TYR 744 Cb 0.84 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 37.46 3fax h TYR 744 CO -0.00 0.02 0.18 -0.07 -0.00 0.00 0.00 178.16 178.28 3fax h LEU 745 N 0.00 0.02 0.00 0.10 3.38 -1.63 -1.74 115.31 115.44 3fax h LEU 745 Ca -0.00 0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3fax h LEU 745 Cb 0.07 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3fax h LEU 745 CO 0.00 -0.03 -1.96 0.49 0.09 0.00 0.00 178.44 177.03 3fax n PHE 746 N -5.15 0.00 0.04 1.13 3.72 -1.16 -4.46 117.46 111.57 3fax n PHE 746 Ca 0.14 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.49 3fax n PHE 746 Cb 0.44 -0.65 0.16 0.00 -0.94 0.00 0.00 39.48 38.49 3fax n PHE 746 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3fax h GLU 747 N 0.00 0.42 -0.64 -1.08 4.57 -1.28 -2.36 114.58 114.21 3fax h GLU 747 Ca -0.31 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 3fax h GLU 747 Cb 1.65 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.21 3fax h GLU 747 CO 0.02 0.75 0.37 -0.44 -1.18 0.00 0.00 179.01 178.53 3fax h ASP 748 N 0.35 0.77 -0.05 1.04 3.32 -1.55 -2.76 116.42 117.54 3fax h ASP 748 Ca 0.03 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3fax h ASP 748 Cb 0.85 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3fax h ASP 748 CO 0.07 0.60 -0.02 0.40 -1.72 0.00 0.00 179.24 178.57 3fax h ILE 749 N 0.88 1.32 -2.11 0.35 2.04 -1.65 -3.43 117.51 114.92 3fax h ILE 749 Ca 0.23 -1.00 -0.22 0.00 1.00 0.00 0.00 64.86 64.87 3fax h ILE 749 Cb -0.01 1.89 -0.32 0.00 -0.74 0.00 0.00 36.82 37.64 3fax h ILE 749 CO -0.04 0.27 -0.54 -0.70 0.00 0.00 0.00 178.15 177.14 3fax s GLU 750 N -4.58 0.30 0.62 2.37 2.56 -1.07 -4.76 118.70 114.14 3fax s GLU 750 Ca -0.15 0.35 -0.17 0.00 0.00 0.00 0.00 54.97 54.99 3fax s GLU 750 Cb 0.03 -0.73 -0.02 0.00 2.00 0.00 0.00 34.13 35.42 3fax s GLU 750 CO 0.69 -0.70 1.16 -2.14 -0.56 0.00 0.00 175.26 173.72 3fax s PRO 751 N 2.46 2.87 -1.15 4.30 0.02 -1.04 -3.89 135.00 138.56 3fax s PRO 751 Ca 0.10 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 62.68 3fax s PRO 751 Cb -0.15 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 3fax s PRO 751 CO -0.17 -1.24 0.82 0.09 -0.33 0.00 0.00 177.00 176.17 3fax n ASN 752 N -1.93 -4.74 0.18 2.53 3.02 -1.26 -4.86 115.26 108.20 3fax n ASN 752 Ca 0.12 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 3fax n ASN 752 Cb 0.51 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3fax n ASN 752 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fax n TYR 753 N -3.87 -3.73 0.06 3.10 9.36 -1.25 -4.67 117.16 116.16 3fax n TYR 753 Ca -0.14 1.08 -0.01 0.00 3.32 0.00 0.00 57.90 62.15 3fax n TYR 753 Cb 0.62 2.64 0.28 0.00 -0.63 0.00 0.00 39.34 42.25 3fax n TYR 753 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3fax h TYR 754 N 0.00 0.39 -3.12 2.98 0.05 -1.89 -3.44 116.97 111.93 3fax h TYR 754 Ca 0.00 -0.07 -0.49 0.00 0.05 0.00 0.00 58.73 58.22 3fax h TYR 754 Cb 0.00 -0.10 0.01 0.00 1.01 0.00 0.00 36.73 37.65 3fax h TYR 754 CO 0.00 0.56 -0.11 -1.01 -1.05 0.00 0.00 178.16 176.55 3fax s HIS 755 N -4.54 3.50 0.67 4.88 3.76 -1.26 -0.42 115.29 121.87 3fax s HIS 755 Ca -0.06 0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 55.24 3fax s HIS 755 Cb 0.14 -2.06 -0.00 0.00 1.11 0.00 0.00 32.58 31.77 3fax s HIS 755 CO 0.76 0.06 1.25 1.19 -0.85 0.00 0.00 174.74 177.16 3fax n PHE 756 N -1.53 1.75 -4.23 1.40 3.72 0.38 -4.34 117.46 114.60 3fax n PHE 756 Ca -0.02 0.42 -0.16 0.00 -0.05 0.00 0.00 57.45 57.64 3fax n PHE 756 Cb 0.55 -2.24 -0.11 0.00 -0.94 0.00 0.00 39.48 36.75 3fax n PHE 756 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3fax s MET 757 N -3.42 1.01 0.61 -1.08 -1.94 -1.26 -0.78 119.30 112.45 3fax s MET 757 Ca 0.81 -1.31 -0.05 0.00 -1.71 0.00 0.00 55.69 53.43 3fax s MET 757 Cb -0.37 -0.72 0.03 0.00 2.01 0.00 0.00 34.83 35.78 3fax s MET 757 CO 0.42 0.12 0.90 -0.80 -0.01 0.00 0.00 175.02 175.65 3fax s ASN 758 N -2.76 5.29 0.48 3.03 0.01 -0.13 -1.10 114.94 119.77 3fax s ASN 758 Ca 0.12 0.48 0.33 0.00 -0.71 0.00 0.00 52.86 53.08 3fax s ASN 758 Cb -0.01 -1.36 1.68 0.00 0.41 0.00 0.00 41.25 41.97 3fax s ASN 758 CO 0.02 -1.23 1.99 -0.33 -1.51 0.00 0.00 177.10 176.04 3fax h GLU 759 N -0.24 0.00 -0.25 -0.60 5.08 -1.98 -1.75 114.58 114.84 3fax h GLU 759 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3fax h GLU 759 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3fax h GLU 759 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 3fax n ASP 760 N -2.69 2.38 0.00 1.42 3.85 -1.26 -4.93 116.55 115.32 3fax n ASP 760 Ca -0.01 -1.83 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 3fax n ASP 760 Cb 0.10 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 3fax n ASP 760 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fax n GLY 761 N 1.28 2.82 3.75 6.12 0.00 -0.66 -5.05 105.19 113.45 3fax n GLY 761 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3fax n GLY 761 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fax n SER 762 N 0.00 3.92 -4.73 1.61 2.88 -1.26 -4.60 113.62 111.43 3fax n SER 762 Ca 0.00 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.28 3fax n SER 762 Cb 0.00 -1.60 -0.04 0.00 -0.75 0.00 0.00 64.21 61.81 3fax n SER 762 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fax s PRO 763 N -0.64 4.62 0.29 -1.46 0.04 -1.26 -0.95 135.00 135.63 3fax s PRO 763 Ca 0.63 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 3fax s PRO 763 Cb -0.49 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.65 3fax s PRO 763 CO 0.50 0.11 1.08 1.03 0.04 0.00 0.00 177.00 179.76 3fax s ARG 764 N -0.24 4.61 0.20 4.56 0.52 0.04 -4.87 118.95 123.77 3fax s ARG 764 Ca 0.49 1.76 0.08 0.00 -0.52 0.00 0.00 55.73 57.53 3fax s ARG 764 Cb -0.28 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 3fax s ARG 764 CO 0.33 0.20 -0.15 -1.21 0.02 0.00 0.00 175.30 174.49 3fax s GLU 765 N -1.53 1.33 -0.23 3.54 2.02 -1.26 -2.05 118.70 120.52 3fax s GLU 765 Ca 0.45 -1.56 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 3fax s GLU 765 Cb -0.31 -1.19 0.10 0.00 0.10 0.00 0.00 34.13 32.84 3fax s GLU 765 CO 0.39 0.21 0.50 0.45 0.02 0.00 0.00 175.26 176.83 3fax s SER 766 N -3.19 -0.56 -0.64 -0.19 0.15 0.19 -4.84 113.70 104.62 3fax s SER 766 Ca 0.21 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3fax s SER 766 Cb -0.02 1.56 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 3fax s SER 766 CO 0.07 -0.23 0.00 0.49 1.20 0.00 0.00 173.24 174.78 3fax n PHE 767 N 5.25 -0.32 -2.70 3.44 3.72 -1.26 -1.63 117.46 123.96 3fax n PHE 767 Ca -0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 3fax n PHE 767 Cb 0.50 -2.00 0.01 0.00 -0.94 0.00 0.00 39.48 37.05 3fax n PHE 767 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fax n GLY 768 N -1.10 -0.47 3.24 1.37 0.00 -1.26 -4.97 105.19 102.00 3fax n GLY 768 Ca -0.09 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3fax n GLY 768 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fax s GLY 769 N -2.42 0.69 0.09 -0.02 0.00 -0.65 -4.12 107.32 100.90 3fax s GLY 769 Ca 0.15 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 3fax s GLY 769 CO 0.19 -1.08 0.69 -0.32 0.00 0.00 0.00 173.10 172.58 3fax s GLY 770 N -3.00 2.79 -0.55 0.20 0.00 -1.14 0.55 107.32 106.17 3fax s GLY 770 Ca 0.19 0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.87 3fax s GLY 770 CO 0.00 0.79 1.01 0.50 0.00 0.00 0.00 173.10 175.40 3fax s ARG 771 N -0.78 3.40 -0.26 2.90 0.52 -0.87 -0.34 118.95 123.51 3fax s ARG 771 Ca 0.34 -0.09 -0.28 0.00 -0.52 0.00 0.00 55.73 55.18 3fax s ARG 771 Cb -0.21 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.20 3fax s ARG 771 CO 0.22 -1.52 1.90 -1.17 0.02 0.00 0.00 175.30 174.75 3fax s LEU 772 N 4.22 3.58 -1.17 2.53 2.96 -1.17 -0.47 118.68 129.17 3fax s LEU 772 Ca 0.34 1.59 -0.20 0.00 -0.22 0.00 0.00 54.13 55.64 3fax s LEU 772 Cb -0.11 -3.52 0.06 0.00 0.50 0.00 0.00 46.19 43.12 3fax s LEU 772 CO 0.21 -1.68 1.62 -0.83 -1.32 0.00 0.00 176.35 174.35 3fax s GLY 773 N 6.37 1.43 0.00 7.98 0.00 0.43 -4.64 107.32 118.90 3fax s GLY 773 Ca 0.85 -2.60 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3fax s GLY 773 CO 0.34 2.74 0.77 -1.30 0.00 0.00 0.00 173.10 175.65 3fax n THR 774 N 6.66 0.00 0.53 0.90 -2.24 -1.26 -1.32 114.28 117.54 3fax n THR 774 Ca 0.42 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.32 3fax n THR 774 Cb 0.48 -0.15 0.27 0.00 -2.10 0.00 0.00 70.33 68.83 3fax n THR 774 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3fax h THR 775 N 0.00 0.00 -3.35 4.28 1.35 -1.95 -3.38 112.91 109.86 3fax h THR 775 Ca 0.00 -0.57 -0.56 0.00 -0.55 0.00 0.00 66.41 64.72 3fax h THR 775 Cb 0.10 1.40 -0.06 0.00 -1.73 0.00 0.00 68.15 67.86 3fax h THR 775 CO 0.00 0.00 0.04 -1.00 -0.25 0.00 0.00 175.52 174.31 3fax s HIS 776 N -3.15 3.61 0.19 4.73 4.02 -0.44 -4.93 115.29 119.32 3fax s HIS 776 Ca 0.08 1.21 -0.14 0.00 1.02 0.00 0.00 55.06 57.23 3fax s HIS 776 Cb 0.12 -2.72 0.19 0.00 -1.02 0.00 0.00 32.58 29.14 3fax s HIS 776 CO 0.66 0.18 1.66 0.00 1.02 0.00 0.00 174.74 178.26 3fax h ALA 777 N 6.37 0.40 0.00 -1.40 0.00 -1.89 0.25 119.26 123.00 3fax h ALA 777 Ca -0.42 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fax h ALA 777 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3fax h ALA 777 CO 0.74 -0.42 -0.02 0.52 0.00 0.00 0.00 179.25 180.06 3fax h MET 778 N 0.04 0.00 -0.11 0.00 2.86 -1.94 -0.88 114.93 114.90 3fax h MET 778 Ca 0.26 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.70 3fax h MET 778 Cb 0.40 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.07 3fax h MET 778 CO -0.51 0.00 -0.70 0.77 1.06 0.00 0.00 176.91 177.53 3fax h SER 779 N 0.00 0.80 -0.81 1.22 0.02 -1.36 -2.70 113.55 110.72 3fax h SER 779 Ca 0.00 -0.65 0.03 0.00 -0.84 0.00 0.00 61.79 60.32 3fax h SER 779 Cb 0.98 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3fax h SER 779 CO 0.00 1.33 0.52 -0.09 -1.14 0.00 0.00 176.83 177.46 3fax h ARG 780 N 0.34 1.00 -0.70 3.45 2.43 -0.36 -2.56 114.38 117.97 3fax h ARG 780 Ca -0.06 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3fax h ARG 780 Cb 1.34 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3fax h ARG 780 CO 0.14 0.66 0.44 0.00 -1.51 0.00 0.00 179.97 179.71 3fax h ARG 781 N 1.03 0.84 -0.76 0.20 3.08 -1.18 0.13 114.38 117.73 3fax h ARG 781 Ca 0.32 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.42 3fax h ARG 781 Cb -0.02 -0.19 -0.08 0.00 0.08 0.00 0.00 29.97 29.76 3fax h ARG 781 CO -0.10 0.56 0.39 0.28 -1.07 0.00 0.00 179.97 180.03 3fax h VAL 782 N 0.87 0.84 0.32 2.04 2.07 -1.12 0.43 116.25 121.70 3fax h VAL 782 Ca 0.28 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3fax h VAL 782 Cb 0.00 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3fax h VAL 782 CO -0.10 0.12 -0.15 0.25 0.02 0.00 0.00 177.57 177.70 3fax h LEU 783 N 0.64 -0.37 -0.57 2.57 6.46 -1.25 -2.82 115.31 119.98 3fax h LEU 783 Ca 0.38 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.94 3fax h LEU 783 Cb 0.41 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 3fax h LEU 783 CO -0.28 0.10 0.15 0.58 -0.62 0.00 0.00 178.44 178.37 3fax h VAL 784 N -0.99 1.25 -0.54 1.05 2.07 -0.59 -0.67 116.25 117.83 3fax h VAL 784 Ca -0.04 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 3fax h VAL 784 Cb 0.49 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3fax h VAL 784 CO 0.07 0.32 0.07 0.44 0.02 0.00 0.00 177.57 178.49 3fax h ASP 785 N 0.81 0.83 -0.29 0.57 3.32 -0.28 0.10 116.42 121.48 3fax h ASP 785 Ca 0.18 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3fax h ASP 785 Cb 0.33 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3fax h ASP 785 CO -0.00 0.85 -0.29 0.77 -1.72 0.00 0.00 179.24 178.85 3fax h SER 786 N 0.82 0.76 -0.16 6.45 4.64 -1.24 0.18 113.55 125.01 3fax h SER 786 Ca 0.17 -0.47 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 3fax h SER 786 Cb 0.40 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 3fax h SER 786 CO 0.01 1.08 -0.08 0.40 -0.87 0.00 0.00 176.83 177.36 3fax h ILE 787 N 0.46 0.73 -0.46 0.95 1.08 -0.94 0.15 117.51 119.48 3fax h ILE 787 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 3fax h ILE 787 Cb 0.86 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 3fax h ILE 787 CO 0.07 0.00 0.25 0.11 -0.69 0.00 0.00 178.15 177.90 3fax h LYS 788 N -0.07 0.49 -0.01 2.37 1.57 -0.64 -0.18 116.57 120.09 3fax h LYS 788 Ca 0.09 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3fax h LYS 788 Cb 0.21 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3fax h LYS 788 CO -0.21 0.33 0.00 -0.92 -0.57 0.00 0.00 179.45 178.08 3fax h TYR 789 N 0.51 0.02 -0.82 -1.35 3.20 -0.37 -0.83 116.97 117.32 3fax h TYR 789 Ca 0.19 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 3fax h TYR 789 Cb 0.05 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3fax h TYR 789 CO -0.08 0.24 0.44 -0.07 -1.64 0.00 0.00 178.16 177.05 3fax h LEU 790 N -0.21 1.02 -0.27 2.82 3.38 -0.58 0.29 115.31 121.77 3fax h LEU 790 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3fax h LEU 790 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3fax h LEU 790 CO 0.00 0.83 0.03 0.74 0.09 0.00 0.00 178.44 180.12 3fax h THR 791 N 1.15 1.24 0.17 0.22 2.02 -0.90 -2.36 112.91 114.46 3fax h THR 791 Ca 0.29 -0.84 -0.32 0.00 0.77 0.00 0.00 66.41 66.31 3fax h THR 791 Cb 0.03 1.27 0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3fax h THR 791 CO -0.05 0.27 -1.49 0.77 0.37 0.00 0.00 175.52 175.39 3fax h SER 792 N 0.25 0.58 0.39 4.18 4.64 -0.98 -2.77 113.55 119.84 3fax h SER 792 Ca 0.08 -0.70 -0.32 0.00 -0.47 0.00 0.00 61.79 60.38 3fax h SER 792 Cb 0.37 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3fax h SER 792 CO 0.01 1.56 -1.58 -0.08 -0.87 0.00 0.00 176.83 175.87 3fax h GLU 793 N 0.10 0.28 -0.22 4.77 4.57 -0.53 -3.36 114.58 120.19 3fax h GLU 793 Ca -0.24 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.45 3fax h GLU 793 Cb 2.07 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.84 3fax h GLU 793 CO 0.21 1.16 0.00 1.19 -1.18 0.00 0.00 179.01 180.39 3fax n PHE 794 N -3.48 0.28 -4.04 0.92 3.72 -0.89 -4.98 117.46 108.99 3fax n PHE 794 Ca -0.18 -0.19 -0.32 0.00 -0.05 0.00 0.00 57.45 56.71 3fax n PHE 794 Cb 1.05 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 3fax n PHE 794 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3fax n LYS 795 N 1.06 -4.45 -2.26 -1.08 4.76 -1.05 -4.92 118.16 110.21 3fax n LYS 795 Ca 0.14 0.50 -0.41 0.00 -2.87 0.00 0.00 58.31 55.66 3fax n LYS 795 Cb 0.48 -5.29 -0.03 0.00 -1.84 0.00 0.00 35.03 28.35 3fax n LYS 795 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fax s VAL 796 N -3.33 3.19 -0.60 -0.18 1.01 -1.18 -4.59 120.40 114.72 3fax s VAL 796 Ca 0.66 1.07 0.23 0.00 0.00 0.00 0.00 61.98 63.93 3fax s VAL 796 Cb -0.35 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 3fax s VAL 796 CO 0.87 0.20 0.97 0.47 0.00 0.00 0.00 175.10 177.61 3fax n ASP 797 N 1.91 0.60 -3.66 3.32 8.00 -0.88 -4.71 116.55 121.13 3fax n ASP 797 Ca 0.03 -0.27 -0.02 0.00 0.71 0.00 0.00 54.79 55.25 3fax n ASP 797 Cb 0.43 0.92 -0.01 0.00 -0.02 0.00 0.00 41.12 42.44 3fax n ASP 797 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3fax s GLY 798 N -3.67 -0.24 0.01 0.44 0.00 -0.57 -2.29 107.32 101.01 3fax s GLY 798 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3fax s GLY 798 CO 0.82 0.59 -0.02 -1.36 0.00 0.00 0.00 173.10 173.13 3fax s PHE 799 N -2.80 0.17 -0.25 1.90 0.08 -0.89 -1.40 117.98 114.79 3fax s PHE 799 Ca 0.15 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 3fax s PHE 799 Cb 0.01 -0.12 0.03 0.00 -0.57 0.00 0.00 43.02 42.37 3fax s PHE 799 CO 0.01 -0.09 -0.07 0.50 -0.10 0.00 0.00 175.22 175.46 3fax s ARG 800 N -0.77 2.72 -0.28 0.44 3.00 -0.83 -0.88 118.95 122.36 3fax s ARG 800 Ca -0.08 -1.05 -0.24 0.00 -1.00 0.00 0.00 55.73 53.36 3fax s ARG 800 Cb -0.05 -2.97 -0.00 0.00 0.00 0.00 0.00 34.95 31.92 3fax s ARG 800 CO -0.00 -0.44 0.83 -0.06 0.00 0.00 0.00 175.30 175.63 3fax s PHE 801 N 1.29 3.24 0.34 5.12 0.08 -0.34 -1.42 117.98 126.29 3fax s PHE 801 Ca -0.01 0.98 -0.28 0.00 0.12 0.00 0.00 56.93 57.74 3fax s PHE 801 Cb -0.17 -3.18 -0.10 0.00 -0.57 0.00 0.00 43.02 39.00 3fax s PHE 801 CO -0.05 -0.51 1.30 0.34 -0.10 0.00 0.00 175.22 176.21 3fax s ASP 802 N 1.50 6.73 -1.03 1.36 2.15 -0.83 -1.28 116.67 125.26 3fax s ASP 802 Ca 0.34 2.68 -0.30 0.00 0.43 0.00 0.00 52.55 55.70 3fax s ASP 802 Cb -0.14 -2.65 0.04 0.00 -0.30 0.00 0.00 42.92 39.87 3fax s ASP 802 CO 0.10 -0.56 0.58 0.23 -0.17 0.00 0.00 175.17 175.35 3fax n MET 803 N 0.72 -0.32 0.22 4.34 2.81 -1.26 -4.49 117.12 119.14 3fax n MET 803 Ca 0.00 -0.03 0.05 0.00 -1.81 0.00 0.00 57.70 55.91 3fax n MET 803 Cb 0.42 -1.92 0.50 0.00 -0.71 0.00 0.00 33.22 31.52 3fax n MET 803 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 3fax h MET 804 N -1.80 0.00 0.00 0.03 4.05 0.13 -2.09 114.93 115.25 3fax h MET 804 Ca -0.61 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 3fax h MET 804 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3fax h MET 804 CO 0.44 0.19 0.00 0.41 0.23 0.00 0.00 176.91 178.18 3fax n GLY 805 N -0.95 -0.74 0.25 1.39 0.00 -1.08 -1.29 105.19 102.77 3fax n GLY 805 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3fax n GLY 805 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fax h ASP 806 N 0.00 0.00 -2.69 1.61 5.19 -1.63 -2.86 116.42 116.04 3fax h ASP 806 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 3fax h ASP 806 Cb 0.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3fax h ASP 806 CO 0.00 0.05 -0.36 -1.00 -3.12 0.00 0.00 179.24 174.82 3fax s HIS 807 N -3.54 3.48 0.34 4.55 3.76 -0.41 -4.61 115.29 118.87 3fax s HIS 807 Ca 0.02 0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.90 3fax s HIS 807 Cb 0.08 -1.78 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 3fax s HIS 807 CO 0.60 0.39 1.36 0.16 -0.85 0.00 0.00 174.74 176.39 3fax s ASP 808 N -3.39 6.64 0.30 1.40 -4.77 -1.26 -0.03 116.67 115.57 3fax s ASP 808 Ca 0.37 2.80 0.06 0.00 -3.30 0.00 0.00 52.55 52.48 3fax s ASP 808 Cb -0.11 -2.65 0.76 0.00 -1.09 0.00 0.00 42.92 39.83 3fax s ASP 808 CO 0.30 -0.64 1.76 0.00 0.70 0.00 0.00 175.17 177.29 3fax h ALA 809 N 3.30 1.65 -0.62 2.11 0.00 -0.94 -2.61 119.26 122.15 3fax h ALA 809 Ca -0.49 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3fax h ALA 809 Cb 1.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3fax h ALA 809 CO 0.65 -0.13 0.37 0.00 0.00 0.00 0.00 179.25 180.15 3fax h ALA 810 N 1.67 0.79 -0.30 0.00 0.00 -1.92 0.51 119.26 120.01 3fax h ALA 810 Ca 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 3fax h ALA 810 Cb 0.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3fax h ALA 810 CO -0.42 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.29 3fax h ALA 811 N 1.19 0.38 -0.27 0.00 0.00 -1.72 -1.73 119.26 117.11 3fax h ALA 811 Ca 0.22 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3fax h ALA 811 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fax h ALA 811 CO -0.04 -0.12 -0.49 0.82 0.00 0.00 0.00 179.25 179.42 3fax h ILE 812 N 0.39 1.29 -0.04 0.00 1.08 -1.42 -0.83 117.51 117.98 3fax h ILE 812 Ca 0.11 -1.69 0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3fax h ILE 812 Cb -0.00 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 3fax h ILE 812 CO -0.02 0.54 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.89 3fax h GLU 813 N 0.57 0.01 -0.67 2.37 4.57 -0.78 0.63 114.58 121.28 3fax h GLU 813 Ca 0.03 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3fax h GLU 813 Cb 1.05 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 3fax h GLU 813 CO 0.10 0.00 0.43 1.25 -1.18 0.00 0.00 179.01 179.62 3fax h LEU 814 N 0.01 0.74 -0.31 1.64 5.85 -1.24 0.27 115.31 122.26 3fax h LEU 814 Ca 0.02 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3fax h LEU 814 Cb 0.03 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3fax h LEU 814 CO -0.04 0.53 -0.10 0.00 -0.34 0.00 0.00 178.44 178.49 3fax h ALA 815 N 1.26 0.17 0.62 1.25 0.00 -0.64 -0.54 119.26 121.39 3fax h ALA 815 Ca 0.25 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3fax h ALA 815 Cb -0.07 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fax h ALA 815 CO -0.07 -0.49 -0.30 -0.92 0.00 0.00 0.00 179.25 177.48 3fax h TYR 816 N -0.03 -0.77 -0.65 0.00 3.20 -0.49 -1.49 116.97 116.74 3fax h TYR 816 Ca 0.16 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.14 3fax h TYR 816 Cb 0.27 0.26 -0.12 0.00 1.54 0.00 0.00 36.73 38.67 3fax h TYR 816 CO -0.31 -0.47 -0.15 -0.22 -1.64 0.00 0.00 178.16 175.37 3fax h LYS 817 N -0.86 0.01 -0.32 1.82 1.63 -0.73 0.37 116.57 118.48 3fax h LYS 817 Ca -0.09 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3fax h LYS 817 Cb 0.65 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3fax h LYS 817 CO 0.14 0.01 0.12 0.93 -3.45 0.00 0.00 179.45 177.19 3fax h GLU 818 N 0.01 0.48 -0.58 1.90 4.39 -1.06 0.10 114.58 119.82 3fax h GLU 818 Ca 0.31 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.85 3fax h GLU 818 Cb 0.48 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3fax h GLU 818 CO -0.66 0.50 0.09 0.00 -1.16 0.00 0.00 179.01 177.79 3fax h ALA 819 N 0.96 1.07 -0.27 3.43 0.00 -0.18 -2.62 119.26 121.65 3fax h ALA 819 Ca 0.11 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3fax h ALA 819 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fax h ALA 819 CO -0.01 0.60 -0.53 -0.22 0.00 0.00 0.00 179.25 179.10 3fax h LYS 820 N 0.89 0.78 -0.77 0.00 3.64 -0.19 -0.47 116.57 120.45 3fax h LYS 820 Ca 0.18 -0.49 0.15 0.00 -1.27 0.00 0.00 60.65 59.23 3fax h LYS 820 Cb 0.39 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 3fax h LYS 820 CO 0.01 1.11 0.30 0.00 -2.27 0.00 0.00 179.45 178.61 3fax h ALA 821 N 0.79 1.10 0.02 5.00 0.00 -0.68 -2.52 119.26 122.96 3fax h ALA 821 Ca 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fax h ALA 821 Cb 1.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3fax h ALA 821 CO 0.11 -0.23 -0.01 0.82 0.00 0.00 0.00 179.25 179.95 3fax h ILE 822 N 0.43 1.40 -3.73 0.00 5.03 -1.26 -3.42 117.51 115.95 3fax h ILE 822 Ca 0.43 -1.34 -0.66 0.00 -0.12 0.00 0.00 64.86 63.17 3fax h ILE 822 Cb 0.68 2.30 -0.39 0.00 -3.03 0.00 0.00 36.82 36.38 3fax h ILE 822 CO -0.42 0.34 -0.76 0.21 -0.68 0.00 0.00 178.15 176.84 3fax s ASN 823 N -5.75 4.52 0.38 1.72 2.47 -0.20 -5.00 114.94 113.07 3fax s ASN 823 Ca -0.16 -1.74 0.11 0.00 0.42 0.00 0.00 52.86 51.49 3fax s ASN 823 Cb 0.01 -1.52 0.90 0.00 -1.45 0.00 0.00 41.25 39.18 3fax s ASN 823 CO 0.66 -0.29 1.88 -0.65 -3.72 0.00 0.00 177.10 174.97 3fax h PRO 824 N 7.73 0.58 -0.95 0.43 0.11 -1.74 -0.79 132.00 137.38 3fax h PRO 824 Ca -0.12 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3fax h PRO 824 Cb 1.03 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3fax h PRO 824 CO 0.48 0.39 0.04 0.09 -0.21 0.00 0.00 178.00 178.79 3fax n ASN 825 N -4.54 2.32 -4.75 -2.05 5.03 -1.26 -4.94 115.26 105.07 3fax n ASN 825 Ca 0.17 -2.22 -0.41 0.00 0.87 0.00 0.00 54.58 52.99 3fax n ASN 825 Cb 0.51 -0.54 -0.02 0.00 -1.02 0.00 0.00 39.78 38.71 3fax n ASN 825 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3fax s MET 826 N -1.08 4.21 -0.06 3.52 1.75 -0.30 -4.91 119.30 122.43 3fax s MET 826 Ca 0.10 2.41 0.04 0.00 -1.25 0.00 0.00 55.69 56.99 3fax s MET 826 Cb 0.08 -3.06 0.00 0.00 2.84 0.00 0.00 34.83 34.69 3fax s MET 826 CO 0.03 -0.48 -0.17 0.42 -0.65 0.00 0.00 175.02 174.17 3fax s ILE 827 N -0.21 1.42 -0.04 10.11 -1.09 -0.97 -4.97 121.20 125.45 3fax s ILE 827 Ca 0.59 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3fax s ILE 827 Cb -0.44 -1.24 0.01 0.00 -1.58 0.00 0.00 42.46 39.21 3fax s ILE 827 CO 0.48 0.41 -0.09 -0.04 -1.23 0.00 0.00 174.94 174.47 3fax s MET 828 N 0.23 1.18 0.40 2.79 -1.94 -1.26 -2.09 119.30 118.61 3fax s MET 828 Ca -0.08 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 3fax s MET 828 Cb -0.13 -1.06 -0.05 0.00 2.01 0.00 0.00 34.83 35.60 3fax s MET 828 CO 0.03 0.05 0.06 0.96 -0.01 0.00 0.00 175.02 176.11 3fax s ILE 829 N 0.50 1.17 -0.08 2.53 -4.36 -0.06 -1.61 121.20 119.29 3fax s ILE 829 Ca -0.09 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 57.99 3fax s ILE 829 Cb -0.12 -2.60 0.12 0.00 1.25 0.00 0.00 42.46 41.10 3fax s ILE 829 CO 0.01 0.00 1.11 -0.83 0.24 0.00 0.00 174.94 175.47 3fax s GLY 830 N -3.63 -0.35 -0.50 6.27 0.00 -0.37 -1.20 107.32 107.54 3fax s GLY 830 Ca 0.27 1.15 -0.28 0.00 0.00 0.00 0.00 44.72 45.86 3fax s GLY 830 CO 0.13 0.36 1.37 -0.54 0.00 0.00 0.00 173.10 174.42 3fax s GLU 831 N -2.70 3.46 -0.32 2.90 2.02 -0.41 -2.90 118.70 120.75 3fax s GLU 831 Ca 0.09 0.62 0.01 0.00 0.02 0.00 0.00 54.97 55.71 3fax s GLU 831 Cb -0.00 -4.06 0.37 0.00 0.10 0.00 0.00 34.13 30.54 3fax s GLU 831 CO -0.05 -1.73 1.72 0.41 0.02 0.00 0.00 175.26 175.63 3fax n GLY 832 N 5.14 3.89 3.75 -1.39 0.00 -1.26 0.64 105.19 115.95 3fax n GLY 832 Ca 0.14 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3fax n GLY 832 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fax s TRP 833 N -2.15 2.93 -1.20 1.61 0.23 -1.26 -0.62 118.94 118.47 3fax s TRP 833 Ca 0.37 1.00 -0.22 0.00 -2.03 0.00 0.00 56.10 55.21 3fax s TRP 833 Cb 0.30 -3.88 -0.07 0.00 0.03 0.00 0.00 33.47 29.85 3fax s TRP 833 CO 0.04 -2.86 1.92 1.03 0.96 0.00 0.00 176.95 178.04 3fax s ARG 834 N -0.57 2.64 0.00 4.98 0.52 -1.26 -4.09 118.95 121.16 3fax s ARG 834 Ca 0.59 -1.26 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 3fax s ARG 834 Cb -0.43 -5.28 0.01 0.00 0.52 0.00 0.00 34.95 29.77 3fax s ARG 834 CO 0.46 -3.83 0.48 0.25 0.02 0.00 0.00 175.30 172.67 3fax n THR 835 N 7.67 0.00 -1.58 0.02 -2.24 -1.26 -5.08 114.28 111.80 3fax n THR 835 Ca 0.45 -0.49 -0.51 0.00 -2.27 0.00 0.00 64.05 61.24 3fax n THR 835 Cb 0.46 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 3fax n THR 835 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fax n PHE 836 N -0.11 1.41 0.01 4.78 7.35 -1.08 -4.78 117.46 125.03 3fax n PHE 836 Ca 0.01 0.66 -0.03 0.00 -0.76 0.00 0.00 57.45 57.33 3fax n PHE 836 Cb 0.06 -2.31 -0.01 0.00 0.35 0.00 0.00 39.48 37.57 3fax n PHE 836 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3fax n GLN 837 N 2.19 0.09 0.00 -4.13 1.13 -1.26 -5.05 117.38 110.34 3fax n GLN 837 Ca 0.17 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3fax n GLN 837 Cb 0.21 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 29.91 3fax n GLN 837 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fax n GLY 838 N 2.98 0.00 3.75 1.08 0.00 -1.26 -4.66 105.19 107.08 3fax n GLY 838 Ca -0.05 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 3fax n GLY 838 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fax s ASP 839 N -4.00 7.52 0.00 1.61 1.01 -1.26 -4.32 116.67 117.22 3fax s ASP 839 Ca 0.00 2.01 -0.00 0.00 0.71 0.00 0.00 52.55 55.27 3fax s ASP 839 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 3fax s ASP 839 CO 0.00 0.03 0.92 1.67 0.21 0.00 0.00 175.17 178.00 3fax n GLN 840 N 1.66 -0.01 -0.55 8.23 7.27 -0.26 -1.67 117.38 132.05 3fax n GLN 840 Ca -0.01 0.92 0.05 0.00 0.07 0.00 0.00 57.00 58.03 3fax n GLN 840 Cb 0.47 -1.38 0.27 0.00 2.41 0.00 0.00 30.24 32.01 3fax n GLN 840 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fax n GLY 841 N -1.00 2.31 2.75 1.69 0.00 -1.26 -4.72 105.19 104.96 3fax n GLY 841 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3fax n GLY 841 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fax s LYS 842 N -2.04 1.73 0.59 1.61 1.02 -0.67 -5.11 119.74 116.87 3fax s LYS 842 Ca 0.37 -2.59 -0.17 0.00 0.02 0.00 0.00 55.97 53.60 3fax s LYS 842 Cb 0.27 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3fax s LYS 842 CO 0.13 -1.24 1.10 -2.14 -0.92 0.00 0.00 175.35 172.28 3fax s PRO 843 N -0.43 3.17 0.07 -1.68 0.02 -1.26 -4.25 135.00 130.64 3fax s PRO 843 Ca 0.23 1.43 -0.15 0.00 0.02 0.00 0.00 61.00 62.53 3fax s PRO 843 Cb -0.12 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.43 3fax s PRO 843 CO -0.09 -0.96 0.35 0.08 -0.33 0.00 0.00 177.00 176.04 3fax s VAL 844 N -2.13 0.08 0.13 3.83 1.01 -1.26 -5.11 120.40 116.94 3fax s VAL 844 Ca 0.68 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 3fax s VAL 844 Cb -0.20 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.02 3fax s VAL 844 CO 0.34 -0.36 1.68 -0.75 0.00 0.00 0.00 175.10 176.00 3fax s LYS 845 N -3.05 4.18 0.42 2.72 2.20 -1.26 -4.95 119.74 120.01 3fax s LYS 845 Ca -0.02 2.43 -0.02 0.00 -0.36 0.00 0.00 55.97 58.01 3fax s LYS 845 Cb 0.01 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3fax s LYS 845 CO -0.06 -0.72 0.67 -2.14 -0.36 0.00 0.00 175.35 172.73 3fax s PRO 846 N 2.03 3.42 -1.41 4.03 0.02 -1.26 -0.49 135.00 141.33 3fax s PRO 846 Ca 0.74 -0.15 -0.08 0.00 0.02 0.00 0.00 61.00 61.53 3fax s PRO 846 Cb -0.44 -2.53 0.06 0.00 0.02 0.00 0.00 34.50 31.62 3fax s PRO 846 CO 0.33 -0.08 2.43 0.00 -0.33 0.00 0.00 177.00 179.35 3fax n ALA 847 N -2.03 6.61 -4.00 -1.55 0.00 0.96 -4.16 120.51 116.34 3fax n ALA 847 Ca -0.02 -3.96 -0.09 0.00 0.00 0.00 0.00 53.44 49.38 3fax n ALA 847 Cb 0.56 -3.06 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 3fax n ALA 847 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fax n ASP 848 N 3.12 1.73 -0.30 0.00 5.68 -1.26 -2.74 116.55 122.77 3fax n ASP 848 Ca 0.61 -1.66 0.15 0.00 -0.50 0.00 0.00 54.79 53.40 3fax n ASP 848 Cb 0.28 0.21 0.41 0.00 -1.14 0.00 0.00 41.12 40.87 3fax n ASP 848 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fax h GLN 849 N 0.00 0.60 0.00 0.11 4.20 -1.20 -0.20 115.11 118.62 3fax h GLN 849 Ca -0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3fax h GLN 849 Cb 0.37 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3fax h GLN 849 CO 0.18 0.39 0.00 -0.25 -0.67 0.00 0.00 178.83 178.48 3fax n ASP 850 N -4.62 0.59 0.26 1.46 8.00 -1.26 -2.05 116.55 118.92 3fax n ASP 850 Ca 0.21 0.62 0.16 0.00 0.71 0.00 0.00 54.79 56.49 3fax n ASP 850 Cb 0.61 -0.75 0.58 0.00 -0.02 0.00 0.00 41.12 41.53 3fax n ASP 850 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3fax h TRP 851 N 0.00 0.00 0.00 1.24 7.01 -1.26 -3.30 115.95 119.65 3fax h TRP 851 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3fax h TRP 851 Cb 0.43 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.49 3fax h TRP 851 CO 0.00 0.00 -0.11 0.52 -2.79 0.00 0.00 178.44 176.06 3fax h MET 852 N 0.00 0.00 -0.71 2.65 2.86 -1.52 -1.76 114.93 116.45 3fax h MET 852 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3fax h MET 852 Cb 0.60 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 3fax h MET 852 CO 0.00 0.11 0.37 0.87 1.06 0.00 0.00 176.91 179.31 3fax h LYS 853 N 0.00 0.61 -0.67 1.72 1.57 -1.63 -3.31 116.57 114.86 3fax h LYS 853 Ca -0.00 -0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 58.26 3fax h LYS 853 Cb 0.28 -0.14 -0.35 0.00 0.08 0.00 0.00 32.23 32.10 3fax h LYS 853 CO 0.01 0.41 -0.56 -1.13 -0.57 0.00 0.00 179.45 177.61 3fax n SER 854 N -4.84 4.70 -3.47 0.86 3.41 -0.67 -4.90 113.62 108.70 3fax n SER 854 Ca 0.11 -3.78 -0.11 0.00 -0.26 0.00 0.00 58.87 54.83 3fax n SER 854 Cb 0.26 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3fax n SER 854 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3fax s THR 855 N -4.38 0.00 -0.35 6.66 -4.23 -1.15 -5.05 115.64 107.14 3fax s THR 855 Ca 0.51 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.14 3fax s THR 855 Cb 0.42 -1.00 0.45 0.00 1.34 0.00 0.00 72.50 73.71 3fax s THR 855 CO 0.02 0.00 1.07 0.47 -0.54 0.00 0.00 174.62 175.64 3fax n ASP 856 N -0.15 3.19 -0.01 3.99 8.00 -1.26 -4.79 116.55 125.52 3fax n ASP 856 Ca -0.13 -3.14 -0.02 0.00 0.71 0.00 0.00 54.79 52.21 3fax n ASP 856 Cb 0.62 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.25 3fax n ASP 856 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3fax n THR 857 N -0.39 0.45 -4.33 -3.53 -2.24 -1.26 -5.03 114.28 97.95 3fax n THR 857 Ca 0.25 0.29 -0.34 0.00 -2.27 0.00 0.00 64.05 61.98 3fax n THR 857 Cb 0.78 -1.55 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 3fax n THR 857 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3fax s VAL 858 N -1.50 4.06 0.44 2.28 1.01 -1.26 -4.53 120.40 120.89 3fax s VAL 858 Ca -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3fax s VAL 858 Cb 0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3fax s VAL 858 CO 0.08 0.49 0.72 -0.83 0.00 0.00 0.00 175.10 175.56 3fax s GLY 859 N 0.33 1.50 0.03 4.51 0.00 -0.63 -4.86 107.32 108.20 3fax s GLY 859 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.16 3fax s GLY 859 CO 0.02 -0.45 -0.15 -1.34 0.00 0.00 0.00 173.10 171.18 3fax s VAL 860 N -2.59 1.22 0.24 1.40 -7.23 0.46 -1.23 120.40 112.66 3fax s VAL 860 Ca 0.46 -0.96 -0.31 0.00 -1.81 0.00 0.00 61.98 59.35 3fax s VAL 860 Cb -0.10 -1.08 -0.13 0.00 0.56 0.00 0.00 36.38 35.63 3fax s VAL 860 CO 0.41 0.10 1.39 0.49 -0.31 0.00 0.00 175.10 177.18 3fax n PHE 861 N 2.04 2.12 -3.21 2.82 3.72 -1.14 -0.66 117.46 123.15 3fax n PHE 861 Ca -0.17 0.45 -0.46 0.00 -0.05 0.00 0.00 57.45 57.22 3fax n PHE 861 Cb 0.54 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.60 3fax n PHE 861 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3fax s SER 862 N 0.24 6.39 0.50 4.37 0.15 -0.05 -4.74 113.70 120.56 3fax s SER 862 Ca 0.68 -1.94 0.31 0.00 0.70 0.00 0.00 55.95 55.70 3fax s SER 862 Cb -0.65 -2.26 1.23 0.00 -1.71 0.00 0.00 66.02 62.63 3fax s SER 862 CO 0.50 -0.89 1.92 -2.24 1.20 0.00 0.00 173.24 173.73 3fax h ASP 863 N 8.68 0.00 -0.09 5.45 2.03 -1.91 -3.02 116.42 127.56 3fax h ASP 863 Ca -0.14 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.14 3fax h ASP 863 Cb 1.07 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.57 3fax h ASP 863 CO 0.99 0.00 -0.02 -0.78 -1.03 0.00 0.00 179.24 178.40 3fax h ASP 864 N 0.00 0.18 -0.49 4.15 3.58 -1.95 0.29 116.42 122.18 3fax h ASP 864 Ca 0.00 -0.35 -0.09 0.00 0.42 0.00 0.00 57.03 57.01 3fax h ASP 864 Cb 0.53 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 3fax h ASP 864 CO 0.00 0.49 -0.04 -0.29 -2.88 0.00 0.00 179.24 176.52 3fax h ILE 865 N -0.14 1.27 0.31 2.25 2.10 -1.88 -0.18 117.51 121.24 3fax h ILE 865 Ca 0.02 -1.13 -0.00 0.00 1.08 0.00 0.00 64.86 64.83 3fax h ILE 865 Cb 0.41 1.02 -0.03 0.00 -1.09 0.00 0.00 36.82 37.13 3fax h ILE 865 CO 0.01 0.39 -0.42 -0.09 -1.08 0.00 0.00 178.15 176.96 3fax h ARG 866 N 0.74 -0.73 -0.84 2.19 2.43 -1.46 -0.65 114.38 116.06 3fax h ARG 866 Ca 0.13 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 3fax h ARG 866 Cb 0.56 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.20 3fax h ARG 866 CO 0.03 -0.49 0.46 -0.91 -1.51 0.00 0.00 179.97 177.56 3fax h ASN 867 N -0.76 0.61 -0.35 -3.80 2.35 -0.37 -1.94 115.58 111.33 3fax h ASN 867 Ca -0.04 0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3fax h ASN 867 Cb 0.68 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3fax h ASN 867 CO -0.11 0.31 -0.21 0.28 -1.65 0.00 0.00 177.43 176.05 3fax h SER 868 N 0.72 0.85 0.17 5.81 0.02 -0.79 -0.06 113.55 120.27 3fax h SER 868 Ca 0.43 -0.31 -0.26 0.00 -0.84 0.00 0.00 61.79 60.82 3fax h SER 868 Cb 0.51 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.83 3fax h SER 868 CO -0.30 1.04 -1.19 -0.07 -1.14 0.00 0.00 176.83 175.16 3fax h LEU 869 N 0.73 0.55 -4.68 5.07 3.38 -0.74 -1.23 115.31 118.39 3fax h LEU 869 Ca 0.10 -0.92 -0.18 0.00 0.09 0.00 0.00 57.88 56.98 3fax h LEU 869 Cb 0.74 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.12 3fax h LEU 869 CO 0.06 1.56 -0.42 2.29 0.09 0.00 0.00 178.44 182.02 3fax n LYS 870 N -3.94 1.24 -0.66 1.13 0.00 -0.76 -0.43 118.16 114.74 3fax n LYS 870 Ca -0.18 -1.54 0.05 0.00 -0.00 0.00 0.00 58.31 56.64 3fax n LYS 870 Cb 0.93 0.13 -0.03 0.00 -0.00 0.00 0.00 35.03 36.05 3fax n LYS 870 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3fax n SER 871 N -1.19 -3.57 -3.80 -5.58 3.41 -0.04 -4.73 113.62 98.11 3fax n SER 871 Ca -0.15 0.71 -0.05 0.00 -0.26 0.00 0.00 58.87 59.12 3fax n SER 871 Cb 0.85 -2.06 -0.02 0.00 -0.26 0.00 0.00 64.21 62.73 3fax n SER 871 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fax s GLY 872 N -5.03 -0.17 0.10 5.00 0.00 -1.26 -4.38 107.32 101.57 3fax s GLY 872 Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 44.72 44.31 3fax s GLY 872 CO 0.00 -0.04 1.11 0.33 0.00 0.00 0.00 173.10 174.51 3fax n PHE 873 N -0.47 0.98 0.94 1.90 7.35 -1.26 -1.25 117.46 125.65 3fax n PHE 873 Ca -0.05 0.81 0.12 0.00 -0.76 0.00 0.00 57.45 57.57 3fax n PHE 873 Cb 0.60 -2.21 0.28 0.00 0.35 0.00 0.00 39.48 38.51 3fax n PHE 873 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fax n PRO 874 N 1.79 0.04 -1.48 -7.13 -0.04 -1.26 -4.89 135.00 122.03 3fax n PRO 874 Ca 0.18 0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 3fax n PRO 874 Cb 0.19 -1.53 0.07 0.00 -0.04 0.00 0.00 33.50 32.19 3fax n PRO 874 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fax n ASN 875 N -1.59 7.66 -4.72 3.54 3.02 -0.38 -4.99 115.26 117.82 3fax n ASN 875 Ca 0.05 -3.80 -0.42 0.00 -0.03 0.00 0.00 54.58 50.38 3fax n ASN 875 Cb 0.35 -1.00 -0.03 0.00 -0.61 0.00 0.00 39.78 38.49 3fax n ASN 875 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3fax s GLU 876 N -3.89 4.20 0.00 3.52 2.12 -1.14 -2.65 118.70 120.86 3fax s GLU 876 Ca 0.62 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.34 3fax s GLU 876 Cb 0.49 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.70 3fax s GLU 876 CO -0.11 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 3fax n GLY 877 N 3.81 1.54 3.69 -1.50 0.00 -1.26 -4.98 105.19 106.48 3fax n GLY 877 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3fax n GLY 877 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fax s THR 878 N -2.14 3.57 0.07 2.61 2.01 -1.09 -4.14 115.64 116.53 3fax s THR 878 Ca 0.00 0.97 -0.36 0.00 0.31 0.00 0.00 61.69 62.61 3fax s THR 878 Cb 0.00 -3.62 -0.15 0.00 0.01 0.00 0.00 72.50 68.73 3fax s THR 878 CO 0.00 -0.00 1.49 -2.65 -0.69 0.00 0.00 174.62 172.76 3fax n PRO 879 N 5.39 1.53 -0.80 4.92 -0.02 -1.26 -4.39 135.00 140.36 3fax n PRO 879 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3fax n PRO 879 Cb 0.43 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3fax n PRO 879 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fax n ALA 880 N 3.31 0.00 -0.21 3.55 0.00 -1.25 -4.13 120.51 121.78 3fax n ALA 880 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.65 3fax n ALA 880 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.80 3fax n ALA 880 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3fax h PHE 881 N 0.40 0.25 -0.68 0.00 3.57 -0.69 0.95 116.94 120.73 3fax h PHE 881 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3fax h PHE 881 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3fax h PHE 881 CO 0.00 -0.02 0.00 0.44 -2.23 0.00 0.00 178.31 176.50 3fax n ILE 882 N -5.11 1.16 -2.01 1.41 -5.35 0.43 -4.18 119.36 105.71 3fax n ILE 882 Ca 0.10 -0.99 0.02 0.00 -0.27 0.00 0.00 62.75 61.61 3fax n ILE 882 Cb 0.35 0.37 0.12 0.00 -1.74 0.00 0.00 39.64 38.74 3fax n ILE 882 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fax n THR 883 N 1.43 1.46 -0.96 7.28 -2.24 0.18 -4.85 114.28 116.58 3fax n THR 883 Ca 0.24 -2.58 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 3fax n THR 883 Cb 0.67 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3fax n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fax n GLY 884 N -0.52 0.63 3.29 3.38 0.00 -0.78 -3.95 105.19 107.23 3fax n GLY 884 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3fax n GLY 884 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fax s GLY 885 N -1.99 1.90 0.31 -0.02 0.00 -0.34 -4.86 107.32 102.32 3fax s GLY 885 Ca 0.00 -1.88 -0.29 0.00 0.00 0.00 0.00 44.72 42.55 3fax s GLY 885 CO 0.00 0.85 1.29 -1.05 0.00 0.00 0.00 173.10 174.19 3fax n PRO 886 N 4.87 2.02 -4.50 2.90 -0.02 -1.26 -3.29 135.00 135.73 3fax n PRO 886 Ca -0.11 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 61.84 3fax n PRO 886 Cb 0.44 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 3fax n PRO 886 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3fax s GLN 887 N -1.49 1.21 -0.28 -0.52 -1.52 -0.90 -4.70 119.66 111.45 3fax s GLN 887 Ca 0.59 -0.92 -0.35 0.00 -1.95 0.00 0.00 55.36 52.73 3fax s GLN 887 Cb -0.60 -1.31 -0.11 0.00 -0.22 0.00 0.00 33.01 30.76 3fax s GLN 887 CO 0.59 0.33 2.09 0.45 -0.25 0.00 0.00 175.29 178.50 3fax n SER 888 N 1.74 2.52 0.26 5.90 2.88 -1.26 -1.72 113.62 123.94 3fax n SER 888 Ca -0.18 0.56 0.12 0.00 -1.33 0.00 0.00 58.87 58.04 3fax n SER 888 Cb 0.54 -1.30 0.72 0.00 -0.75 0.00 0.00 64.21 63.41 3fax n SER 888 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3fax h LEU 889 N 11.56 0.00 -0.46 2.46 3.38 -1.68 -2.24 115.31 128.32 3fax h LEU 889 Ca -0.35 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 3fax h LEU 889 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3fax h LEU 889 CO 0.99 0.12 -0.33 -0.61 0.09 0.00 0.00 178.44 178.70 3fax h GLN 890 N 0.00 0.92 -0.01 1.13 5.75 -1.89 -0.26 115.11 120.75 3fax h GLN 890 Ca -0.00 -0.45 -0.15 0.00 -0.15 0.00 0.00 58.65 57.90 3fax h GLN 890 Cb 0.31 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3fax h GLN 890 CO 0.02 1.10 -0.70 0.78 -2.65 0.00 0.00 178.83 177.38 3fax h GLY 891 N 0.84 0.08 0.77 2.39 0.00 -1.82 0.13 103.07 105.47 3fax h GLY 891 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3fax h GLY 891 CO 0.08 0.11 -0.00 -2.22 0.00 0.00 0.00 176.54 174.51 3fax h ILE 892 N 0.05 1.26 -0.47 2.60 1.08 -1.38 -1.93 117.51 118.72 3fax h ILE 892 Ca -0.01 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3fax h ILE 892 Cb 1.24 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 3fax h ILE 892 CO 0.10 0.25 0.27 0.15 -0.69 0.00 0.00 178.15 178.22 3fax h PHE 893 N -0.03 0.63 -0.97 1.37 3.57 -0.86 0.02 116.94 120.67 3fax h PHE 893 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3fax h PHE 893 Cb 0.38 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3fax h PHE 893 CO 0.04 0.46 0.64 0.87 -2.23 0.00 0.00 178.31 178.09 3fax h LYS 894 N 0.62 1.27 -0.69 1.11 1.79 -0.77 -1.89 116.57 118.02 3fax h LYS 894 Ca 0.17 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 3fax h LYS 894 Cb 0.03 -0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 30.36 3fax h LYS 894 CO -0.03 0.84 0.14 -0.91 -1.08 0.00 0.00 179.45 178.42 3fax h ASN 895 N 1.31 1.06 0.26 0.86 -0.26 -0.73 0.27 115.58 118.35 3fax h ASN 895 Ca 0.36 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3fax h ASN 895 Cb -0.15 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 36.83 3fax h ASN 895 CO -0.08 1.03 -0.10 0.40 -1.06 0.00 0.00 177.43 177.63 3fax h ILE 896 N 1.05 0.60 -0.11 2.81 2.04 -0.53 0.37 117.51 123.74 3fax h ILE 896 Ca 0.21 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3fax h ILE 896 Cb 0.40 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3fax h ILE 896 CO 0.01 0.09 0.00 0.29 0.00 0.00 0.00 178.15 178.54 3fax n LYS 897 N -3.75 1.39 -3.28 2.37 5.02 -0.75 -0.49 118.16 118.67 3fax n LYS 897 Ca -0.02 -0.59 -0.17 0.00 -2.02 0.00 0.00 58.31 55.51 3fax n LYS 897 Cb 0.20 -1.30 0.07 0.00 -0.02 0.00 0.00 35.03 33.98 3fax n LYS 897 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fax n ALA 898 N -0.16 -1.26 -3.27 7.82 0.00 0.12 -4.78 120.51 118.98 3fax n ALA 898 Ca 0.13 0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 3fax n ALA 898 Cb 0.19 -3.52 -0.07 0.00 0.00 0.00 0.00 19.45 16.05 3fax n ALA 898 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fax n GLN 899 N -3.84 1.42 -1.50 0.00 6.02 0.89 -4.71 117.38 115.65 3fax n GLN 899 Ca -0.09 -3.78 -0.34 0.00 -0.01 0.00 0.00 57.00 52.78 3fax n GLN 899 Cb 0.58 -1.62 0.08 0.00 1.02 0.00 0.00 30.24 30.30 3fax n GLN 899 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3fax s PRO 900 N -1.72 2.30 0.06 -1.09 0.04 -1.26 -3.96 135.00 129.37 3fax s PRO 900 Ca 0.37 1.64 0.28 0.00 0.04 0.00 0.00 61.00 63.33 3fax s PRO 900 Cb 0.17 -1.87 1.11 0.00 0.04 0.00 0.00 34.50 33.95 3fax s PRO 900 CO -0.07 -1.69 1.88 0.41 0.04 0.00 0.00 177.00 177.57 3fax n GLY 901 N 0.10 -1.55 0.53 0.56 0.00 -1.26 -3.92 105.19 99.64 3fax n GLY 901 Ca 0.12 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3fax n GLY 901 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fax n ASN 902 N -1.73 2.03 -3.61 1.61 6.94 -1.26 -4.98 115.26 114.27 3fax n ASN 902 Ca 0.07 -1.52 -0.09 0.00 -0.02 0.00 0.00 54.58 53.02 3fax n ASN 902 Cb 0.36 0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 38.10 3fax n ASN 902 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3fax s PHE 903 N -1.97 -0.35 -0.38 -2.53 -0.12 -1.25 -4.99 117.98 106.39 3fax s PHE 903 Ca 0.17 0.07 -0.19 0.00 -0.05 0.00 0.00 56.93 56.93 3fax s PHE 903 Cb 0.15 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 43.16 3fax s PHE 903 CO 0.40 -0.92 0.58 -2.00 -0.05 0.00 0.00 175.22 173.23 3fax s GLU 904 N -3.65 3.51 -0.48 1.99 2.12 -1.26 -4.46 118.70 116.48 3fax s GLU 904 Ca 0.06 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 3fax s GLU 904 Cb -0.03 -3.86 0.12 0.00 0.26 0.00 0.00 34.13 30.63 3fax s GLU 904 CO -0.04 -0.78 0.37 0.00 -0.54 0.00 0.00 175.26 174.27 3fax s ALA 905 N 2.57 3.44 -2.21 6.30 0.00 -1.26 -3.57 121.76 127.03 3fax s ALA 905 Ca 0.21 -2.50 0.21 0.00 0.00 0.00 0.00 51.96 49.87 3fax s ALA 905 Cb -0.15 -2.90 0.91 0.00 0.00 0.00 0.00 23.12 20.98 3fax s ALA 905 CO 0.15 -1.91 1.63 -0.40 0.00 0.00 0.00 175.76 175.24 3fax n ASP 906 N 4.98 1.14 -3.77 0.00 5.75 -1.26 -4.77 116.55 118.61 3fax n ASP 906 Ca -0.09 -1.59 -0.13 0.00 -0.01 0.00 0.00 54.79 52.97 3fax n ASP 906 Cb 0.41 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 3fax n ASP 906 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3fax s SER 907 N -1.62 -0.30 0.40 -1.12 0.15 -1.26 -4.36 113.70 105.60 3fax s SER 907 Ca 0.32 0.57 0.11 0.00 0.70 0.00 0.00 55.95 57.65 3fax s SER 907 Cb 0.17 0.57 0.91 0.00 -1.71 0.00 0.00 66.02 65.96 3fax s SER 907 CO 0.26 -0.10 1.95 1.55 1.20 0.00 0.00 173.24 178.10 3fax h PRO 908 N 5.80 0.54 0.00 5.44 0.13 -1.84 -0.77 132.00 141.29 3fax h PRO 908 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3fax h PRO 908 Cb 1.19 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3fax h PRO 908 CO 0.33 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 3fax n GLY 909 N -1.49 -0.82 0.17 1.56 0.00 -1.26 -1.57 105.19 101.79 3fax n GLY 909 Ca 0.11 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.43 3fax n GLY 909 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fax h ASP 910 N 0.00 0.00 -3.33 1.61 3.32 -1.46 -3.37 116.42 113.19 3fax h ASP 910 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3fax h ASP 910 Cb 0.02 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.28 3fax h ASP 910 CO 0.00 0.00 -0.75 -0.69 -1.72 0.00 0.00 179.24 176.08 3fax s VAL 911 N -3.37 3.11 -0.37 -1.35 1.01 -0.61 -0.40 120.40 118.42 3fax s VAL 911 Ca 0.05 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 3fax s VAL 911 Cb 0.09 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3fax s VAL 911 CO 0.49 0.45 0.49 -0.69 0.00 0.00 0.00 175.10 175.84 3fax s VAL 912 N 1.36 5.03 -0.14 2.92 1.01 0.17 -0.63 120.40 130.11 3fax s VAL 912 Ca 0.04 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 3fax s VAL 912 Cb -0.14 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3fax s VAL 912 CO -0.04 -0.28 0.65 -1.10 0.00 0.00 0.00 175.10 174.32 3fax s GLN 913 N 2.35 4.32 0.10 2.72 -1.52 0.80 -0.87 119.66 127.56 3fax s GLN 913 Ca 0.17 0.71 -0.18 0.00 -1.95 0.00 0.00 55.36 54.11 3fax s GLN 913 Cb -0.16 -3.51 0.04 0.00 -0.22 0.00 0.00 33.01 29.16 3fax s GLN 913 CO 0.14 -0.08 0.44 1.52 -0.25 0.00 0.00 175.29 177.06 3fax s TYR 914 N 1.35 -0.28 0.00 0.91 1.13 -1.26 -1.92 117.35 117.27 3fax s TYR 914 Ca 0.32 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 56.05 3fax s TYR 914 Cb -0.16 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 3fax s TYR 914 CO 0.13 -0.69 0.00 0.44 -2.51 0.00 0.00 175.55 172.93 3fax n ILE 915 N -0.03 0.00 -3.87 -3.49 -5.35 -1.26 -3.11 119.36 102.24 3fax n ILE 915 Ca -0.17 -0.17 -0.10 0.00 -0.27 0.00 0.00 62.75 62.04 3fax n ILE 915 Cb 0.63 0.68 -0.09 0.00 -1.74 0.00 0.00 39.64 39.12 3fax n ILE 915 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fax s ALA 916 N -0.90 -0.26 0.02 -1.28 0.00 -1.26 -4.79 121.76 113.29 3fax s ALA 916 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 3fax s ALA 916 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3fax s ALA 916 CO 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 175.76 175.45 3fax n ALA 917 N 0.76 -0.02 0.19 0.00 0.00 -1.26 -4.05 120.51 116.14 3fax n ALA 917 Ca -0.19 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.18 3fax n ALA 917 Cb 0.59 0.08 0.39 0.00 0.00 0.00 0.00 19.45 20.51 3fax n ALA 917 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3fax h HIS 918 N 1.07 0.00 -4.11 0.00 2.07 -1.97 -3.44 115.15 108.76 3fax h HIS 918 Ca -0.02 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.02 3fax h HIS 918 Cb 0.08 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.10 3fax h HIS 918 CO 0.00 0.33 0.39 -0.51 -3.07 0.00 0.00 177.93 175.06 3fax s ASP 919 N -6.94 6.14 0.45 3.10 1.01 -1.26 -4.71 116.67 114.47 3fax s ASP 919 Ca -0.03 1.90 0.00 0.00 0.71 0.00 0.00 52.55 55.13 3fax s ASP 919 Cb 0.15 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.52 3fax s ASP 919 CO 0.72 -0.92 0.00 0.59 0.21 0.00 0.00 175.17 175.77 3fax n ASN 920 N -1.32 -3.69 -4.77 0.27 3.02 -0.34 -4.80 115.26 103.64 3fax n ASN 920 Ca 0.09 0.23 -0.37 0.00 -0.03 0.00 0.00 54.58 54.50 3fax n ASN 920 Cb 0.53 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3fax n ASN 920 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fax s LEU 921 N 0.00 3.92 0.90 3.41 1.43 -1.26 -4.50 118.68 122.58 3fax s LEU 921 Ca 0.00 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 3fax s LEU 921 Cb 0.00 -4.33 0.13 0.00 0.03 0.00 0.00 46.19 42.02 3fax s LEU 921 CO 0.00 -1.12 1.09 0.42 0.23 0.00 0.00 176.35 176.97 3fax s THR 922 N -1.54 2.63 0.14 5.49 -4.23 -1.26 -4.70 115.64 112.17 3fax s THR 922 Ca 0.67 0.21 -0.21 0.00 -1.18 0.00 0.00 61.69 61.18 3fax s THR 922 Cb -0.30 -2.56 0.01 0.00 1.34 0.00 0.00 72.50 70.99 3fax s THR 922 CO 0.35 -0.27 1.67 0.25 -0.54 0.00 0.00 174.62 176.08 3fax h LEU 923 N -1.63 -0.45 -0.23 4.79 5.85 -1.87 -0.04 115.31 121.73 3fax h LEU 923 Ca -0.48 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.39 3fax h LEU 923 Cb 1.27 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.48 3fax h LEU 923 CO 0.51 -0.18 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.53 3fax h HIS 924 N -0.13 -0.40 -0.68 1.25 2.76 -1.88 -1.00 115.15 115.06 3fax h HIS 924 Ca 0.12 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3fax h HIS 924 Cb 0.31 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.46 3fax h HIS 924 CO -0.29 -0.23 0.20 -0.44 -1.30 0.00 0.00 177.93 175.87 3fax h ASP 925 N -0.15 1.00 -0.13 3.26 5.19 -1.60 -0.39 116.42 123.60 3fax h ASP 925 Ca 0.13 -0.21 -0.12 0.00 -0.62 0.00 0.00 57.03 56.21 3fax h ASP 925 Cb 0.35 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3fax h ASP 925 CO -0.32 0.95 -0.32 1.62 -3.12 0.00 0.00 179.24 178.05 3fax h VAL 926 N 1.00 1.28 0.33 -1.35 3.04 -0.85 -0.59 116.25 119.11 3fax h VAL 926 Ca 0.22 -1.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.46 3fax h VAL 926 Cb 0.31 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3fax h VAL 926 CO -0.00 0.46 -0.16 0.40 -1.01 0.00 0.00 177.57 177.26 3fax h ILE 927 N 0.53 0.69 -0.51 3.17 2.04 -0.92 0.12 117.51 122.63 3fax h ILE 927 Ca 0.06 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.75 3fax h ILE 927 Cb 0.80 0.84 -0.09 0.00 -0.74 0.00 0.00 36.82 37.63 3fax h ILE 927 CO 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 178.15 178.18 3fax h ALA 928 N 0.02 0.38 -0.39 1.87 0.00 -0.94 -1.16 119.26 119.04 3fax h ALA 928 Ca -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fax h ALA 928 Cb 0.43 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3fax h ALA 928 CO 0.08 -0.43 0.07 -0.22 0.00 0.00 0.00 179.25 178.74 3fax h LYS 929 N 0.03 0.64 -0.61 0.00 3.64 -1.01 -0.23 116.57 119.03 3fax h LYS 929 Ca 0.25 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3fax h LYS 929 Cb 0.38 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3fax h LYS 929 CO -0.50 0.69 0.25 0.77 -2.27 0.00 0.00 179.45 178.39 3fax h SER 930 N 0.49 0.84 0.51 4.20 0.02 -0.11 -1.10 113.55 118.39 3fax h SER 930 Ca 0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3fax h SER 930 Cb 0.36 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3fax h SER 930 CO 0.01 0.78 -0.09 2.30 -1.14 0.00 0.00 176.83 178.68 3fax n ILE 931 N -4.46 0.00 -3.45 3.27 -5.35 -0.50 -4.51 119.36 104.36 3fax n ILE 931 Ca 0.04 -0.03 -0.15 0.00 -0.27 0.00 0.00 62.75 62.34 3fax n ILE 931 Cb 0.16 -0.24 0.01 0.00 -1.74 0.00 0.00 39.64 37.83 3fax n ILE 931 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3fax n ASN 932 N -1.16 -6.23 -4.00 7.28 5.15 -0.15 -5.02 115.26 111.13 3fax n ASN 932 Ca 0.13 -0.59 -0.08 0.00 -0.60 0.00 0.00 54.58 53.44 3fax n ASN 932 Cb 0.28 -3.56 -0.09 0.00 -0.53 0.00 0.00 39.78 35.88 3fax n ASN 932 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3fax s LYS 933 N -4.27 0.64 0.08 1.20 1.02 -0.90 -4.58 119.74 112.94 3fax s LYS 933 Ca 0.08 -1.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 3fax s LYS 933 Cb -0.03 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 3fax s LYS 933 CO 0.83 -0.15 0.99 0.34 -0.92 0.00 0.00 175.35 176.44 3fax s ASP 934 N -2.65 7.42 0.52 2.83 2.15 -1.26 -4.61 116.67 121.06 3fax s ASP 934 Ca 0.03 1.79 0.20 0.00 0.43 0.00 0.00 52.55 55.00 3fax s ASP 934 Cb 0.04 -2.58 1.34 0.00 -0.30 0.00 0.00 42.92 41.42 3fax s ASP 934 CO -0.09 -0.16 2.13 -0.65 -0.17 0.00 0.00 175.17 176.23 3fax h PRO 935 N 5.96 0.00 0.63 4.34 0.11 -1.95 -1.08 132.00 140.01 3fax h PRO 935 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3fax h PRO 935 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3fax h PRO 935 CO 0.73 0.06 -0.30 0.87 -0.21 0.00 0.00 178.00 179.15 3fax h LYS 936 N 0.00 -0.81 -0.25 1.05 1.57 -1.98 -2.47 116.57 113.68 3fax h LYS 936 Ca -0.00 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3fax h LYS 936 Cb 0.11 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3fax h LYS 936 CO 0.01 -0.54 0.04 -0.39 -0.57 0.00 0.00 179.45 178.00 3fax h VAL 937 N -1.08 1.23 -0.32 0.50 -1.51 -1.97 -3.11 116.25 110.00 3fax h VAL 937 Ca -0.09 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3fax h VAL 937 Cb 0.65 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3fax h VAL 937 CO 0.14 0.25 0.00 0.00 -1.23 0.00 0.00 177.57 176.73 3fax n ALA 938 N -2.32 2.69 -0.25 5.19 0.00 -0.41 -4.61 120.51 120.81 3fax n ALA 938 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 53.44 52.64 3fax n ALA 938 Cb 0.20 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3fax n ALA 938 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fax h GLU 939 N 1.99 -0.14 0.00 0.00 4.81 -1.36 0.36 114.58 120.23 3fax h GLU 939 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3fax h GLU 939 Cb 0.72 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3fax h GLU 939 CO 0.08 -0.10 -0.41 1.49 -0.73 0.00 0.00 179.01 179.34 3fax h GLU 940 N -0.15 0.00 -0.28 1.92 4.81 -1.87 0.26 114.58 119.27 3fax h GLU 940 Ca 0.23 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 3fax h GLU 940 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3fax h GLU 940 CO -0.75 0.41 -0.12 0.22 -0.73 0.00 0.00 179.01 178.04 3fax h ASP 941 N 0.00 0.59 -0.46 1.04 3.58 -1.10 0.01 116.42 120.09 3fax h ASP 941 Ca -0.00 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 56.98 3fax h ASP 941 Cb 0.94 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 3fax h ASP 941 CO 0.05 0.86 0.01 0.40 -2.88 0.00 0.00 179.24 177.68 3fax h ILE 942 N 0.32 1.26 -0.27 2.25 2.04 -0.18 -2.34 117.51 120.59 3fax h ILE 942 Ca 0.07 -1.04 -0.16 0.00 1.00 0.00 0.00 64.86 64.72 3fax h ILE 942 Cb 0.63 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3fax h ILE 942 CO 0.04 0.36 -0.49 0.45 0.00 0.00 0.00 178.15 178.50 3fax h HIS 943 N 0.65 0.91 -0.72 1.37 3.86 -0.94 0.47 115.15 120.76 3fax h HIS 943 Ca 0.13 -0.30 0.02 0.00 -1.16 0.00 0.00 60.37 59.06 3fax h HIS 943 Cb 0.49 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 3fax h HIS 943 CO 0.04 1.08 0.46 0.00 0.86 0.00 0.00 177.93 180.37 3fax h ARG 944 N 0.58 0.89 -0.48 2.45 3.08 -0.95 -1.06 114.38 118.89 3fax h ARG 944 Ca 0.03 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3fax h ARG 944 Cb 1.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3fax h ARG 944 CO 0.10 0.59 -0.14 0.00 -1.07 0.00 0.00 179.97 179.45 3fax h ARG 945 N 0.92 0.91 -0.43 0.04 3.08 -1.20 -3.06 114.38 114.64 3fax h ARG 945 Ca 0.28 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3fax h ARG 945 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3fax h ARG 945 CO -0.09 0.99 0.18 1.25 -1.07 0.00 0.00 179.97 181.24 3fax h LEU 946 N 0.81 0.58 -1.79 3.04 6.46 -0.52 -2.56 115.31 121.33 3fax h LEU 946 Ca 0.12 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3fax h LEU 946 Cb 0.68 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 3fax h LEU 946 CO 0.05 0.57 0.05 0.03 -0.62 0.00 0.00 178.44 178.52 3fax h ARG 947 N 0.54 0.19 -0.49 1.25 3.08 -1.20 -1.44 114.38 116.31 3fax h ARG 947 Ca 0.14 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3fax h ARG 947 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3fax h ARG 947 CO -0.01 0.16 0.04 -0.07 -1.07 0.00 0.00 179.97 179.02 3fax h LEU 948 N 0.19 0.75 -0.27 3.04 3.38 -1.36 -0.58 115.31 120.47 3fax h LEU 948 Ca 0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3fax h LEU 948 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3fax h LEU 948 CO -0.01 0.79 0.05 1.23 0.09 0.00 0.00 178.44 180.60 3fax h GLY 949 N 0.97 0.47 1.14 0.83 0.00 -1.06 -2.32 103.07 103.09 3fax h GLY 949 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 3fax h GLY 949 CO 0.01 0.28 0.15 3.43 0.00 0.00 0.00 176.54 180.41 3fax h ASN 950 N 0.26 1.00 -0.83 0.19 4.21 -1.31 -1.53 115.58 117.58 3fax h ASN 950 Ca 0.08 -0.21 -0.00 0.00 1.21 0.00 0.00 56.30 57.38 3fax h ASN 950 Cb 0.31 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.20 3fax h ASN 950 CO 0.00 0.97 0.52 0.58 -1.29 0.00 0.00 177.43 178.21 3fax h VAL 951 N 1.01 1.22 -0.17 2.81 2.07 -1.02 -0.22 116.25 121.95 3fax h VAL 951 Ca 0.21 -0.46 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 3fax h VAL 951 Cb 0.37 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3fax h VAL 951 CO 0.00 0.23 -0.60 0.24 0.02 0.00 0.00 177.57 177.47 3fax h MET 952 N 1.13 0.70 -0.55 1.57 2.86 -1.09 -1.26 114.93 118.30 3fax h MET 952 Ca 0.30 -0.53 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 3fax h MET 952 Cb -0.07 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3fax h MET 952 CO -0.06 1.15 0.07 0.82 1.06 0.00 0.00 176.91 179.95 3fax h ILE 953 N 0.40 1.26 -0.00 -1.22 1.08 -1.20 -2.11 117.51 115.72 3fax h ILE 953 Ca -0.03 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 3fax h ILE 953 Cb 1.22 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 3fax h ILE 953 CO 0.13 0.36 -0.02 0.18 -0.69 0.00 0.00 178.15 178.11 3fax n LEU 954 N -4.33 0.04 -0.30 1.44 4.77 -0.10 -2.75 117.00 115.76 3fax n LEU 954 Ca 0.02 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.41 3fax n LEU 954 Cb 0.28 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3fax n LEU 954 CO 0.42 0.01 0.56 0.35 -1.33 0.00 0.00 177.39 177.39 3fax n THR 955 N -1.40 0.99 -2.85 -5.08 -2.24 -0.48 -4.61 114.28 98.62 3fax n THR 955 Ca 0.10 -1.00 -0.28 0.00 -2.27 0.00 0.00 64.05 60.60 3fax n THR 955 Cb 0.30 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3fax n THR 955 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fax s SER 956 N -1.00 6.37 0.86 3.42 0.01 -0.80 -4.88 113.70 117.68 3fax s SER 956 Ca 0.11 0.94 -0.12 0.00 1.31 0.00 0.00 55.95 58.19 3fax s SER 956 Cb 0.06 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 64.15 3fax s SER 956 CO 0.07 -0.45 1.11 -1.10 0.41 0.00 0.00 173.24 173.28 3fax s GLN 957 N -4.26 1.58 0.36 12.44 -1.52 0.35 -4.78 119.66 123.83 3fax s GLN 957 Ca 0.48 0.53 0.00 0.00 -1.95 0.00 0.00 55.36 54.42 3fax s GLN 957 Cb -0.10 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.82 3fax s GLN 957 CO 0.38 -1.95 0.00 0.41 -0.25 0.00 0.00 175.29 173.88 3fax n GLY 958 N -1.98 -1.92 3.72 3.09 0.00 -1.26 -4.38 105.19 102.47 3fax n GLY 958 Ca 0.07 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 3fax n GLY 958 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fax s THR 959 N -0.05 4.81 -0.07 2.61 2.01 0.19 -4.74 115.64 120.41 3fax s THR 959 Ca 0.00 1.81 -0.18 0.00 0.31 0.00 0.00 61.69 63.63 3fax s THR 959 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 3fax s THR 959 CO 0.00 0.26 0.48 0.00 -0.69 0.00 0.00 174.62 174.67 3fax s ALA 960 N 0.52 3.52 -0.05 7.40 0.00 -0.73 -0.14 121.76 132.28 3fax s ALA 960 Ca 0.44 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.28 3fax s ALA 960 Cb -0.21 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3fax s ALA 960 CO 0.25 0.13 -0.16 0.12 0.00 0.00 0.00 175.76 176.10 3fax s PHE 961 N 0.12 1.62 -0.07 0.00 5.36 -0.81 -0.33 117.98 123.87 3fax s PHE 961 Ca 0.26 -0.51 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 3fax s PHE 961 Cb -0.16 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.43 3fax s PHE 961 CO 0.12 -0.20 -0.05 0.42 -1.46 0.00 0.00 175.22 174.05 3fax s ILE 962 N 0.22 0.73 0.24 3.12 1.01 0.17 -4.63 121.20 122.05 3fax s ILE 962 Ca -0.07 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3fax s ILE 962 Cb -0.13 -0.77 -0.09 0.00 0.01 0.00 0.00 42.46 41.49 3fax s ILE 962 CO 0.03 0.29 1.06 -2.28 0.00 0.00 0.00 174.94 174.04 3fax s HIS 963 N 1.36 3.69 0.09 3.97 5.65 -1.26 -1.23 115.29 127.55 3fax s HIS 963 Ca -0.03 1.73 -0.31 0.00 0.25 0.00 0.00 55.06 56.70 3fax s HIS 963 Cb -0.14 -3.20 -0.09 0.00 -1.18 0.00 0.00 32.58 27.97 3fax s HIS 963 CO -0.03 -0.30 1.75 0.45 -0.65 0.00 0.00 174.74 175.96 3fax s SER 964 N -0.70 6.52 0.00 9.88 0.15 -0.53 -1.30 113.70 127.72 3fax s SER 964 Ca 0.45 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.71 3fax s SER 964 Cb -0.30 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 3fax s SER 964 CO 0.37 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.47 3fax n GLY 965 N 4.14 2.91 0.36 9.45 0.00 -1.26 -4.90 105.19 115.89 3fax n GLY 965 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.38 3fax n GLY 965 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fax h GLN 966 N 1.12 0.00 0.00 1.61 4.15 -1.55 0.10 115.11 120.54 3fax h GLN 966 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 3fax h GLN 966 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3fax h GLN 966 CO 0.00 0.00 -0.42 1.05 -1.93 0.00 0.00 178.83 177.53 3fax h GLU 967 N 0.00 0.00 0.00 1.69 9.09 -1.91 -3.33 114.58 120.12 3fax h GLU 967 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3fax h GLU 967 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3fax h GLU 967 CO -0.00 0.42 -0.95 2.48 0.05 0.00 0.00 179.01 181.01 3fax n TYR 968 N -3.93 0.00 0.00 2.06 0.18 -0.35 -2.20 117.16 112.92 3fax n TYR 968 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3fax n TYR 968 Cb 0.46 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 3fax n TYR 968 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3fax n GLY 969 N 1.65 0.84 3.74 -7.48 0.00 0.22 -4.56 105.19 99.59 3fax n GLY 969 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3fax n GLY 969 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fax n ARG 970 N 0.00 2.17 -4.16 1.61 0.63 -0.49 -4.82 116.66 111.60 3fax n ARG 970 Ca 0.00 0.77 -0.17 0.00 -0.92 0.00 0.00 57.85 57.53 3fax n ARG 970 Cb 0.00 -2.56 -0.12 0.00 0.45 0.00 0.00 32.46 30.23 3fax n ARG 970 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3fax s THR 971 N -1.19 1.03 -0.54 5.15 -1.32 -1.26 -4.24 115.64 113.27 3fax s THR 971 Ca 0.61 -1.31 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 3fax s THR 971 Cb -0.47 -1.04 0.41 0.00 -1.51 0.00 0.00 72.50 69.89 3fax s THR 971 CO 0.58 -0.28 1.40 0.29 -2.21 0.00 0.00 174.62 174.40 3fax n LYS 972 N 1.23 3.24 -1.72 7.08 5.02 -1.26 -4.92 118.16 126.82 3fax n LYS 972 Ca -0.21 -4.16 -0.42 0.00 -2.02 0.00 0.00 58.31 51.50 3fax n LYS 972 Cb 0.54 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 3fax n LYS 972 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3fax s ARG 973 N -3.70 4.13 -1.27 1.97 1.70 -1.26 -1.36 118.95 119.16 3fax s ARG 973 Ca 0.50 2.61 -0.14 0.00 -0.47 0.00 0.00 55.73 58.23 3fax s ARG 973 Cb 0.42 -3.22 0.13 0.00 -0.57 0.00 0.00 34.95 31.71 3fax s ARG 973 CO -0.21 -0.78 1.67 -0.11 -1.08 0.00 0.00 175.30 174.79 3fax n LEU 974 N 4.45 5.56 -2.89 -1.89 7.94 0.70 -4.86 117.00 126.01 3fax n LEU 974 Ca 0.16 -4.33 -0.29 0.00 -1.11 0.00 0.00 56.01 50.44 3fax n LEU 974 Cb 0.36 -1.63 -0.07 0.00 0.53 0.00 0.00 43.42 42.61 3fax n LEU 974 CO 0.64 0.73 2.76 0.18 -1.11 0.00 0.00 177.39 180.60 3fax n LEU 975 N 6.06 7.35 -4.45 -1.96 4.32 -1.26 -4.70 117.00 122.35 3fax n LEU 975 Ca 0.42 -3.87 -0.34 0.00 -0.02 0.00 0.00 56.01 52.20 3fax n LEU 975 Cb 0.42 -1.47 -0.13 0.00 -1.62 0.00 0.00 43.42 40.62 3fax n LEU 975 CO 0.72 1.84 -0.37 0.21 -1.22 0.00 0.00 177.39 178.57 3fax s ASN 976 N 2.20 4.60 0.21 -1.43 2.47 -1.26 -4.68 114.94 117.06 3fax s ASN 976 Ca 0.66 -0.20 -0.13 0.00 0.42 0.00 0.00 52.86 53.62 3fax s ASN 976 Cb 0.22 -1.75 0.26 0.00 -1.45 0.00 0.00 41.25 38.52 3fax s ASN 976 CO -0.04 0.14 1.63 -0.65 -3.72 0.00 0.00 177.10 174.46 3fax h PRO 977 N 6.91 0.01 0.00 0.43 0.11 -1.94 0.37 132.00 137.90 3fax h PRO 977 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3fax h PRO 977 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fax h PRO 977 CO 0.61 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 3fax n ASP 978 N -5.43 0.00 -2.94 -2.05 8.00 -1.26 -2.37 116.55 110.50 3fax n ASP 978 Ca 0.08 -0.16 -0.17 0.00 0.71 0.00 0.00 54.79 55.25 3fax n ASP 978 Cb 0.34 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 3fax n ASP 978 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fax n TYR 979 N -1.04 1.15 -0.05 1.24 4.02 0.12 -4.86 117.16 117.75 3fax n TYR 979 Ca 0.05 -3.46 -0.11 0.00 -0.01 0.00 0.00 57.90 54.37 3fax n TYR 979 Cb 0.03 -0.39 -0.14 0.00 -0.02 0.00 0.00 39.34 38.81 3fax n TYR 979 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 3fax n MET 980 N 0.06 0.67 -4.38 -0.72 1.56 -1.00 -4.43 117.12 108.87 3fax n MET 980 Ca 0.22 0.20 -0.19 0.00 -0.27 0.00 0.00 57.70 57.65 3fax n MET 980 Cb 0.68 -1.69 -0.10 0.00 2.15 0.00 0.00 33.22 34.26 3fax n MET 980 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3fax s THR 981 N -2.56 1.43 0.49 1.12 -4.23 -1.26 -1.27 115.64 109.36 3fax s THR 981 Ca -0.11 -2.10 -0.21 0.00 -1.18 0.00 0.00 61.69 58.09 3fax s THR 981 Cb 0.07 -2.35 -0.10 0.00 1.34 0.00 0.00 72.50 71.46 3fax s THR 981 CO 0.80 -0.36 0.73 1.17 -0.54 0.00 0.00 174.62 176.43 3fax n LYS 982 N -0.49 0.82 -4.35 3.99 4.81 -1.26 -4.96 118.16 116.72 3fax n LYS 982 Ca -0.06 0.30 -0.18 0.00 -0.87 0.00 0.00 58.31 57.51 3fax n LYS 982 Cb 0.63 -1.80 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 3fax n LYS 982 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3fax s VAL 983 N -1.49 1.35 1.19 3.15 1.01 -1.26 -5.12 120.40 119.23 3fax s VAL 983 Ca 0.66 -2.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 3fax s VAL 983 Cb -0.52 -2.25 0.23 0.00 0.00 0.00 0.00 36.38 33.83 3fax s VAL 983 CO 0.55 -0.43 0.55 -1.20 0.00 0.00 0.00 175.10 174.58 3fax n SER 984 N -0.43 -2.36 0.00 3.32 7.64 -1.26 -4.86 113.62 115.67 3fax n SER 984 Ca -0.06 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.56 3fax n SER 984 Cb 0.63 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3fax n SER 984 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fax n ASP 986 N -3.58 0.00 -4.40 6.43 8.00 -1.26 -4.04 116.55 117.69 3fax n ASP 986 Ca 0.03 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.08 3fax n ASP 986 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 3fax n ASP 986 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3fax s LYS 987 N 0.00 3.99 0.33 -1.24 2.20 -1.26 -5.03 119.74 118.73 3fax s LYS 987 Ca 0.00 -2.64 0.01 0.00 -0.36 0.00 0.00 55.97 52.97 3fax s LYS 987 Cb 0.00 -4.80 -0.03 0.00 -1.51 0.00 0.00 37.83 31.49 3fax s LYS 987 CO 0.00 -1.54 0.52 -0.51 -0.36 0.00 0.00 175.35 173.47 3fax s LEU 988 N 0.66 4.05 0.66 5.43 2.01 -1.26 -4.88 118.68 125.35 3fax s LEU 988 Ca 0.34 0.42 -0.12 0.00 0.01 0.00 0.00 54.13 54.79 3fax s LEU 988 Cb -0.06 -3.27 -0.01 0.00 0.01 0.00 0.00 46.19 42.85 3fax s LEU 988 CO -0.05 -0.26 1.05 -2.16 1.01 0.00 0.00 176.35 175.94 3fax s PRO 989 N -4.21 3.16 0.12 1.29 0.04 -1.26 -4.99 135.00 129.15 3fax s PRO 989 Ca 0.39 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 3fax s PRO 989 Cb -0.10 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3fax s PRO 989 CO 0.35 -0.92 1.21 1.21 0.04 0.00 0.00 177.00 178.89 3fax s ASN 990 N -3.72 7.07 -1.53 6.66 2.47 -1.26 -3.75 114.94 120.88 3fax s ASN 990 Ca 0.58 2.13 -0.13 0.00 0.42 0.00 0.00 52.86 55.86 3fax s ASN 990 Cb -0.13 -2.59 0.08 0.00 -1.45 0.00 0.00 41.25 37.16 3fax s ASN 990 CO 0.52 -0.44 0.92 0.29 -3.72 0.00 0.00 177.10 174.67 3fax n LYS 991 N 3.32 -5.12 -4.56 0.43 4.76 -1.26 -4.77 118.16 110.96 3fax n LYS 991 Ca 0.07 0.57 -0.27 0.00 -2.87 0.00 0.00 58.31 55.80 3fax n LYS 991 Cb 0.45 -5.38 -0.14 0.00 -1.84 0.00 0.00 35.03 28.13 3fax n LYS 991 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fax s ALA 992 N -3.36 2.05 0.02 7.82 0.00 -1.25 -1.45 121.76 125.59 3fax s ALA 992 Ca 0.59 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3fax s ALA 992 Cb -0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3fax s ALA 992 CO 0.84 0.46 -0.17 0.99 0.00 0.00 0.00 175.76 177.88 3fax s THR 993 N -0.95 2.82 -0.12 0.00 2.01 0.16 -4.91 115.64 114.65 3fax s THR 993 Ca 0.10 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 3fax s THR 993 Cb -0.10 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3fax s THR 993 CO 0.03 0.40 0.11 -0.22 -0.69 0.00 0.00 174.62 174.26 3fax s LEU 994 N -1.25 4.22 -0.22 4.42 0.20 -1.26 -0.81 118.68 123.98 3fax s LEU 994 Ca 0.14 0.39 -0.05 0.00 0.69 0.00 0.00 54.13 55.30 3fax s LEU 994 Cb -0.10 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 3fax s LEU 994 CO 0.04 0.38 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.84 3fax s ILE 995 N -0.87 3.65 0.04 6.68 1.09 -0.66 -5.02 121.20 126.10 3fax s ILE 995 Ca 0.14 -0.40 -0.27 0.00 -1.10 0.00 0.00 60.65 59.02 3fax s ILE 995 Cb -0.12 -2.67 -0.17 0.00 -1.06 0.00 0.00 42.46 38.45 3fax s ILE 995 CO 0.03 0.41 1.42 -0.33 -0.10 0.00 0.00 174.94 176.38 3fax h GLU 996 N 7.95 -0.44 -1.00 2.79 3.07 -1.94 -3.23 114.58 121.78 3fax h GLU 996 Ca -0.39 0.03 0.31 0.00 -0.50 0.00 0.00 59.36 58.81 3fax h GLU 996 Cb 1.17 0.10 -0.14 0.00 -0.84 0.00 0.00 28.75 29.03 3fax h GLU 996 CO 0.60 -0.18 0.57 0.00 -1.40 0.00 0.00 179.01 178.60 3fax h ALA 997 N -0.08 1.91 -2.67 3.43 0.00 -1.90 -3.40 119.26 116.55 3fax h ALA 997 Ca -0.05 0.18 -0.51 0.00 0.00 0.00 0.00 54.91 54.53 3fax h ALA 997 Cb 0.47 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fax h ALA 997 CO 0.08 -0.52 0.44 0.54 0.00 0.00 0.00 179.25 179.79 3fax s VAL 998 N -5.69 3.95 -0.26 0.00 0.11 -1.22 -4.63 120.40 112.66 3fax s VAL 998 Ca -0.10 1.75 -0.09 0.00 -2.93 0.00 0.00 61.98 60.60 3fax s VAL 998 Cb 0.30 -4.11 -0.15 0.00 -1.53 0.00 0.00 36.38 30.88 3fax s VAL 998 CO 0.79 0.33 -0.23 0.29 -3.33 0.00 0.00 175.10 172.95 3fax n LYS 999 N 2.16 0.62 -3.15 1.54 4.76 -1.26 -4.65 118.16 118.17 3fax n LYS 999 Ca 0.01 0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 55.30 3fax n LYS 999 Cb 0.47 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 3fax n LYS 999 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3fax s GLU 1000N -2.50 3.81 -0.55 1.97 2.56 -1.26 -4.49 118.70 118.23 3fax s GLU 1000Ca -0.36 0.15 -0.15 0.00 0.00 0.00 0.00 54.97 54.61 3fax s GLU 1000Cb 0.12 -3.75 0.02 0.00 2.00 0.00 0.00 34.13 32.52 3fax s GLU 1000CO 0.55 -0.60 0.64 0.66 -0.56 0.00 0.00 175.26 175.95 3fax n TYR 1001N 5.86 -3.04 1.57 5.30 4.02 -0.40 -4.92 117.16 125.55 3fax n TYR 1001Ca -0.02 1.22 0.14 0.00 -0.01 0.00 0.00 57.90 59.23 3fax n TYR 1001Cb 0.49 -3.46 0.61 0.00 -0.02 0.00 0.00 39.34 36.96 3fax n TYR 1001CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3fax n PRO 1002N -0.90 1.34 -3.78 -0.72 -0.04 -1.26 -4.82 135.00 124.82 3fax n PRO 1002Ca -0.00 -0.64 -0.36 0.00 -0.04 0.00 0.00 63.50 62.46 3fax n PRO 1002Cb 0.55 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 3fax n PRO 1002CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3fax s TYR 1003N -2.10 3.47 -0.04 0.54 2.02 -1.26 -1.66 117.35 118.32 3fax s TYR 1003Ca 0.38 0.39 0.02 0.00 -0.37 0.00 0.00 57.07 57.50 3fax s TYR 1003Cb 0.21 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3fax s TYR 1003CO 0.38 0.44 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.63 3fax s PHE 1004N -0.10 1.15 -0.03 2.71 0.08 0.01 -0.22 117.98 121.58 3fax s PHE 1004Ca 0.10 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 3fax s PHE 1004Cb -0.11 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 3fax s PHE 1004CO 0.00 -0.17 0.77 0.42 -0.10 0.00 0.00 175.22 176.14 3fax s ILE 1005N 0.42 4.96 -1.66 0.64 -1.09 -0.47 0.39 121.20 124.39 3fax s ILE 1005Ca -0.08 1.60 0.15 0.00 -2.23 0.00 0.00 60.65 60.08 3fax s ILE 1005Cb -0.12 -4.11 0.20 0.00 -1.58 0.00 0.00 42.46 36.86 3fax s ILE 1005CO 0.02 0.25 1.08 0.00 -1.23 0.00 0.00 174.94 175.06 3fax n HIS 1006N 3.63 0.18 -3.06 3.97 1.44 -0.53 -4.58 115.22 116.27 3fax n HIS 1006Ca -0.00 -0.15 -0.10 0.00 -2.01 0.00 0.00 57.72 55.46 3fax n HIS 1006Cb 0.51 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 3fax n HIS 1006CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3fax s ASP 1007N -1.16 -0.49 -0.26 4.39 2.15 -1.24 -1.20 116.67 118.85 3fax s ASP 1007Ca 0.21 -1.80 0.06 0.00 0.43 0.00 0.00 52.55 51.45 3fax s ASP 1007Cb 0.13 1.25 0.55 0.00 -0.30 0.00 0.00 42.92 44.55 3fax s ASP 1007CO 0.19 -0.13 1.57 -1.54 -0.17 0.00 0.00 175.17 175.09 3fax n SER 1008N 3.39 4.01 -0.01 -0.34 3.41 -1.26 -4.48 113.62 118.34 3fax n SER 1008Ca 0.18 -2.96 0.04 0.00 -0.26 0.00 0.00 58.87 55.87 3fax n SER 1008Cb 0.53 -0.70 0.42 0.00 -0.26 0.00 0.00 64.21 64.20 3fax n SER 1008CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3fax h TYR 1009N 1.77 0.53 -0.22 7.33 -0.00 -1.93 -2.83 116.97 121.62 3fax h TYR 1009Ca 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 58.73 58.94 3fax h TYR 1009Cb 2.03 -0.18 -0.04 0.00 0.00 0.00 0.00 36.73 38.54 3fax h TYR 1009CO 1.02 0.33 -0.06 -3.47 -0.00 0.00 0.00 178.16 175.98 3fax n ASP 1010N -4.47 2.99 -4.97 0.10 2.03 -1.26 -3.31 116.55 107.65 3fax n ASP 1010Ca 0.04 -3.34 -0.21 0.00 0.52 0.00 0.00 54.79 51.80 3fax n ASP 1010Cb 0.07 -0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 39.91 3fax n ASP 1010CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3fax s SER 1011N -2.40 6.18 0.94 1.67 0.01 -1.07 -2.33 113.70 116.70 3fax s SER 1011Ca 0.41 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.61 3fax s SER 1011Cb 0.35 -1.68 0.15 0.00 0.21 0.00 0.00 66.02 65.06 3fax s SER 1011CO 0.04 -0.25 1.13 -0.94 0.41 0.00 0.00 173.24 173.62 3fax s SER 1012N -4.06 3.24 0.42 2.44 1.04 -0.73 -4.68 113.70 111.36 3fax s SER 1012Ca 0.39 1.00 0.17 0.00 0.48 0.00 0.00 55.95 57.99 3fax s SER 1012Cb -0.09 -1.59 0.94 0.00 0.10 0.00 0.00 66.02 65.38 3fax s SER 1012CO 0.31 -2.73 1.91 0.44 0.98 0.00 0.00 173.24 174.16 3fax h ASP 1013N -1.62 0.00 -0.88 7.02 3.32 -1.83 -0.64 116.42 121.79 3fax h ASP 1013Ca -0.51 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.55 3fax h ASP 1013Cb 1.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 3fax h ASP 1013CO 0.60 0.27 0.58 0.00 -1.72 0.00 0.00 179.24 178.98 3fax h ALA 1014N 1.73 1.39 0.11 3.45 0.00 -1.69 0.88 119.26 125.13 3fax h ALA 1014Ca -0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 3fax h ALA 1014Cb 0.52 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fax h ALA 1014CO 0.04 0.56 -1.20 0.82 0.00 0.00 0.00 179.25 179.47 3fax h ILE 1015N 1.17 1.47 -0.02 0.00 1.08 -1.64 -3.39 117.51 116.18 3fax h ILE 1015Ca 0.33 -2.92 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 3fax h ILE 1015Cb -0.11 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 3fax h ILE 1015CO -0.08 0.86 -0.23 0.59 -0.69 0.00 0.00 178.15 178.60 3fax n ASN 1016N -3.59 2.09 -4.76 1.72 5.03 -0.33 -4.63 115.26 110.80 3fax n ASN 1016Ca -0.09 -1.55 -0.40 0.00 0.87 0.00 0.00 54.58 53.42 3fax n ASN 1016Cb 0.99 0.29 -0.04 0.00 -1.02 0.00 0.00 39.78 40.00 3fax n ASN 1016CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 3fax s HIS 1017N -1.90 3.48 0.11 3.10 -3.43 0.28 -4.58 115.29 112.35 3fax s HIS 1017Ca 0.18 1.66 -0.30 0.00 -0.80 0.00 0.00 55.06 55.79 3fax s HIS 1017Cb 0.15 -3.33 -0.07 0.00 -1.43 0.00 0.00 32.58 27.91 3fax s HIS 1017CO 0.37 -0.73 1.21 0.12 -2.00 0.00 0.00 174.74 173.71 3fax s PHE 1018N -1.19 3.42 -0.65 0.38 5.36 -1.02 -4.99 117.98 119.29 3fax s PHE 1018Ca 0.46 1.31 -0.20 0.00 -0.96 0.00 0.00 56.93 57.55 3fax s PHE 1018Cb -0.32 -3.44 0.10 0.00 -0.34 0.00 0.00 43.02 39.02 3fax s PHE 1018CO 0.42 -1.33 0.83 0.34 -1.46 0.00 0.00 175.22 174.01 3fax s ASP 1019N 0.75 6.24 0.22 6.13 -1.08 -1.26 -4.55 116.67 123.13 3fax s ASP 1019Ca 0.57 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3fax s ASP 1019Cb -0.31 -2.35 0.21 0.00 -1.46 0.00 0.00 42.92 39.02 3fax s ASP 1019CO 0.32 -1.20 1.56 -0.50 0.52 0.00 0.00 175.17 175.87 3fax h TRP 1020N 9.23 0.55 -0.02 -5.34 4.06 -1.96 -1.52 115.95 120.96 3fax h TRP 1020Ca -0.24 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 60.53 3fax h TRP 1020Cb 1.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 29.12 3fax h TRP 1020CO 0.92 0.86 0.01 0.00 -3.56 0.00 0.00 178.44 176.67 3fax h ALA 1021N 1.10 0.02 -0.04 1.49 0.00 -1.96 -0.65 119.26 119.23 3fax h ALA 1021Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fax h ALA 1021Cb 1.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3fax h ALA 1021CO 0.09 -0.45 0.03 0.00 0.00 0.00 0.00 179.25 178.92 3fax h ALA 1022N 0.96 2.03 0.00 0.00 0.00 -1.86 -1.11 119.26 119.27 3fax h ALA 1022Ca 0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 3fax h ALA 1022Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3fax h ALA 1022CO -0.00 -0.05 -1.55 0.00 0.00 0.00 0.00 179.25 177.65 3fax h ALA 1023N 1.98 0.71 0.00 0.00 0.00 -0.93 -3.20 119.26 117.82 3fax h ALA 1023Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3fax h ALA 1023Cb 0.08 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fax h ALA 1023CO -0.00 1.42 -0.16 0.25 0.00 0.00 0.00 179.25 180.76 3fax n THR 1024N -3.06 0.00 -2.95 0.00 -2.24 -0.28 -4.74 114.28 101.01 3fax n THR 1024Ca -0.13 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 61.10 3fax n THR 1024Cb 1.00 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 3fax n THR 1024CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fax s ASP 1025N -0.54 6.76 0.21 3.42 -1.08 -0.43 -4.87 116.67 120.14 3fax s ASP 1025Ca 0.00 -2.33 -0.09 0.00 -0.52 0.00 0.00 52.55 49.61 3fax s ASP 1025Cb 0.00 -2.39 0.29 0.00 -1.46 0.00 0.00 42.92 39.36 3fax s ASP 1025CO 0.00 -0.95 1.74 0.78 0.52 0.00 0.00 175.17 177.25 3fax h ASN 1026N 8.34 0.20 0.40 -0.34 2.35 -1.84 -1.79 115.58 122.90 3fax h ASN 1026Ca 0.20 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.03 3fax h ASN 1026Cb 0.98 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3fax h ASN 1026CO 1.13 0.12 -0.35 0.78 -1.65 0.00 0.00 177.43 177.46 3fax h ASN 1027N 0.39 -0.93 -0.36 5.81 2.35 -1.96 -2.86 115.58 118.02 3fax h ASN 1027Ca 0.32 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 56.02 3fax h ASN 1027Cb 0.41 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3fax h ASN 1027CO -0.33 -0.50 -0.26 0.11 -1.65 0.00 0.00 177.43 174.81 3fax h LYS 1028N -0.76 0.81 -2.69 0.81 1.57 -1.87 -3.38 116.57 111.06 3fax h LYS 1028Ca -0.03 -0.39 -0.60 0.00 -1.87 0.00 0.00 60.65 57.75 3fax h LYS 1028Cb 0.67 -0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.57 3fax h LYS 1028CO -0.03 1.02 -0.76 0.72 -0.57 0.00 0.00 179.45 179.83 3fax n HIS 1029N -4.22 1.48 0.15 -1.35 8.25 -0.69 -4.97 115.22 113.88 3fax n HIS 1029Ca -0.02 -3.88 0.02 0.00 -0.26 0.00 0.00 57.72 53.58 3fax n HIS 1029Cb 0.46 -0.26 0.37 0.00 1.12 0.00 0.00 29.99 31.68 3fax n HIS 1029CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3fax h PRO 1030N 5.32 0.12 -0.06 -0.41 0.11 -1.69 -2.47 132.00 132.92 3fax h PRO 1030Ca 0.20 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 3fax h PRO 1030Cb 0.81 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3fax h PRO 1030CO 0.58 0.38 -0.42 0.82 -0.21 0.00 0.00 178.00 179.15 3fax h ILE 1031N 0.11 1.42 -0.10 4.15 1.08 -1.93 -2.09 117.51 120.14 3fax h ILE 1031Ca 0.02 -1.84 -0.20 0.00 -0.39 0.00 0.00 64.86 62.44 3fax h ILE 1031Cb 0.53 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 3fax h ILE 1031CO 0.04 0.54 -0.75 0.77 -0.69 0.00 0.00 178.15 178.05 3fax h SER 1032N -0.10 0.66 0.61 1.72 4.64 -1.80 -2.38 113.55 116.91 3fax h SER 1032Ca -0.04 -0.44 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 3fax h SER 1032Cb 1.09 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3fax h SER 1032CO 0.09 1.20 -0.31 0.71 -0.87 0.00 0.00 176.83 177.64 3fax h THR 1033N 0.38 0.90 -0.17 2.95 1.35 -1.44 0.11 112.91 117.00 3fax h THR 1033Ca -0.04 -1.22 -0.06 0.00 -0.55 0.00 0.00 66.41 64.54 3fax h THR 1033Cb 1.35 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3fax h THR 1033CO 0.14 0.31 -0.13 0.50 -0.25 0.00 0.00 175.52 176.08 3fax h LYS 1034N 0.00 0.39 -0.59 4.72 3.64 -1.26 -0.95 116.57 122.52 3fax h LYS 1034Ca -0.00 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3fax h LYS 1034Cb 0.70 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3fax h LYS 1034CO 0.04 0.74 0.36 1.15 -2.27 0.00 0.00 179.45 179.47 3fax h THR 1035N 0.04 1.16 0.17 1.00 2.02 -1.16 0.10 112.91 116.25 3fax h THR 1035Ca 0.03 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3fax h THR 1035Cb 0.65 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3fax h THR 1035CO 0.03 0.17 -0.08 -0.61 0.37 0.00 0.00 175.52 175.40 3fax h GLN 1036N 0.81 -0.22 -0.91 6.66 5.75 -0.49 -0.33 115.11 126.38 3fax h GLN 1036Ca 0.21 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 3fax h GLN 1036Cb -0.05 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 3fax h GLN 1036CO -0.04 0.11 0.60 0.00 -2.65 0.00 0.00 178.83 176.85 3fax h ALA 1037N 0.14 1.16 -0.30 3.38 0.00 -0.99 0.38 119.26 123.03 3fax h ALA 1037Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fax h ALA 1037Cb 0.44 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3fax h ALA 1037CO 0.04 0.53 0.17 -0.92 0.00 0.00 0.00 179.25 179.07 3fax h TYR 1038N 1.21 0.31 -0.66 0.00 3.20 -0.77 -0.17 116.97 120.10 3fax h TYR 1038Ca 0.34 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 3fax h TYR 1038Cb -0.12 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 3fax h TYR 1038CO -0.01 0.18 0.10 1.15 -1.64 0.00 0.00 178.16 177.94 3fax h THR 1039N 0.35 1.26 -0.30 1.81 2.02 -0.44 -1.75 112.91 115.86 3fax h THR 1039Ca 0.12 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.31 3fax h THR 1039Cb 0.01 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3fax h THR 1039CO -0.06 0.39 0.00 0.00 0.37 0.00 0.00 175.52 176.22 3fax h ALA 1040N 1.08 0.27 -0.85 6.16 0.00 -0.59 -2.06 119.26 123.26 3fax h ALA 1040Ca 0.20 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fax h ALA 1040Cb 0.44 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3fax h ALA 1040CO 0.01 -0.41 0.53 0.78 0.00 0.00 0.00 179.25 180.17 3fax h GLY 1041N 0.09 1.22 1.04 0.00 0.00 -0.52 -0.04 103.07 104.87 3fax h GLY 1041Ca 0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3fax h GLY 1041CO -0.24 0.47 0.19 1.41 0.00 0.00 0.00 176.54 178.38 3fax h LEU 1042N 1.17 1.02 -0.21 3.11 3.38 -1.03 -0.32 115.31 122.44 3fax h LEU 1042Ca 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3fax h LEU 1042Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3fax h LEU 1042CO -0.06 0.97 0.08 0.40 0.09 0.00 0.00 178.44 179.92 3fax h ILE 1043N 1.01 1.17 -0.46 1.22 2.04 -0.65 -0.20 117.51 121.64 3fax h ILE 1043Ca 0.22 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.64 3fax h ILE 1043Cb 0.33 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.47 3fax h ILE 1043CO -0.00 0.17 -0.05 0.74 0.00 0.00 0.00 178.15 179.01 3fax h THR 1044N 0.17 0.59 -0.13 -0.27 2.02 -0.73 -0.94 112.91 113.62 3fax h THR 1044Ca 0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3fax h THR 1044Cb 0.19 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3fax h THR 1044CO -0.00 0.01 0.08 0.25 0.37 0.00 0.00 175.52 176.22 3fax h LEU 1045N 0.06 0.12 -1.13 2.58 5.85 -0.76 -2.08 115.31 119.94 3fax h LEU 1045Ca 0.23 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3fax h LEU 1045Cb 0.35 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3fax h LEU 1045CO -0.43 0.09 0.59 -0.09 -0.34 0.00 0.00 178.44 178.27 3fax h ARG 1046N 0.16 1.02 0.00 1.25 2.43 -0.41 -1.86 114.38 116.96 3fax h ARG 1046Ca 0.05 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3fax h ARG 1046Cb -0.00 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3fax h ARG 1046CO -0.03 0.67 -0.42 0.00 -1.51 0.00 0.00 179.97 178.69 3fax h ARG 1047N 1.05 0.00 -0.01 0.20 2.47 -0.93 -3.32 114.38 113.84 3fax h ARG 1047Ca 0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 3fax h ARG 1047Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3fax h ARG 1047CO -0.14 0.42 -0.00 -1.13 0.56 0.00 0.00 179.97 179.67 3fax n SER 1048N -3.46 0.68 -3.64 7.04 3.41 -0.70 -4.82 113.62 112.13 3fax n SER 1048Ca 0.00 -1.21 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 3fax n SER 1048Cb 0.57 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 3fax n SER 1048CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3fax s THR 1049N -2.02 -0.00 -1.84 6.66 -1.32 -1.22 -5.03 115.64 110.87 3fax s THR 1049Ca 0.43 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 3fax s THR 1049Cb 0.21 -0.98 0.04 0.00 -1.51 0.00 0.00 72.50 70.27 3fax s THR 1049CO 0.36 0.00 0.97 -0.90 -2.21 0.00 0.00 174.62 172.84 3fax n ASP 1050N 3.63 0.40 0.12 8.08 5.68 -1.26 -3.37 116.55 129.84 3fax n ASP 1050Ca -0.18 -2.01 0.04 0.00 -0.50 0.00 0.00 54.79 52.14 3fax n ASP 1050Cb 0.57 -0.10 0.45 0.00 -1.14 0.00 0.00 41.12 40.90 3fax n ASP 1050CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fax h ALA 1051N 2.94 1.64 -0.02 2.12 0.00 -1.92 -2.97 119.26 121.05 3fax h ALA 1051Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3fax h ALA 1051Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fax h ALA 1051CO 0.00 0.27 -0.35 1.19 0.00 0.00 0.00 179.25 180.36 3fax n PHE 1052N -4.37 0.00 -2.72 0.00 3.72 -1.22 -4.49 117.46 108.39 3fax n PHE 1052Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 3fax n PHE 1052Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3fax n PHE 1052CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fax n ARG 1053N 0.34 2.20 -1.44 -1.08 1.74 -1.13 -4.19 116.66 113.11 3fax n ARG 1053Ca 0.10 -3.93 -0.29 0.00 -0.77 0.00 0.00 57.85 52.95 3fax n ARG 1053Cb 0.50 -1.80 0.12 0.00 -1.02 0.00 0.00 32.46 30.26 3fax n ARG 1053CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fax s LYS 1054N -3.21 1.54 -0.19 5.56 1.02 -1.20 -4.80 119.74 118.45 3fax s LYS 1054Ca 0.39 0.59 0.05 0.00 0.02 0.00 0.00 55.97 57.02 3fax s LYS 1054Cb 0.40 -1.86 -0.15 0.00 -0.52 0.00 0.00 37.83 35.70 3fax s LYS 1054CO -0.08 -1.99 -0.12 1.28 -0.92 0.00 0.00 175.35 173.52 3fax n LEU 1055N -3.67 2.23 -4.27 3.17 4.32 -1.26 -4.77 117.00 112.75 3fax n LEU 1055Ca 0.07 -0.08 -0.19 0.00 -0.02 0.00 0.00 56.01 55.78 3fax n LEU 1055Cb 0.57 -0.44 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 3fax n LEU 1055CO 0.57 0.73 -0.46 -0.94 -1.22 0.00 0.00 177.39 176.07 3fax s SER 1056N -5.74 2.22 0.33 -1.43 1.04 -1.26 -4.38 113.70 104.48 3fax s SER 1056Ca -0.23 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.40 3fax s SER 1056Cb 0.07 -0.10 0.59 0.00 0.10 0.00 0.00 66.02 66.67 3fax s SER 1056CO 0.52 -0.11 1.92 0.50 0.98 0.00 0.00 173.24 177.05 3fax h LYS 1057N 3.43 0.69 -0.03 4.02 3.64 -1.94 -2.05 116.57 124.33 3fax h LYS 1057Ca -0.41 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3fax h LYS 1057Cb 1.20 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 3fax h LYS 1057CO 0.51 0.58 -0.26 0.00 -2.27 0.00 0.00 179.45 178.01 3fax h ALA 1058N 1.51 -0.33 0.00 5.00 0.00 -1.96 -0.05 119.26 123.44 3fax h ALA 1058Ca 0.17 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3fax h ALA 1058Cb 0.16 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3fax h ALA 1058CO -0.01 -0.75 -0.58 1.05 0.00 0.00 0.00 179.25 178.95 3fax h GLU 1059N -0.38 0.00 0.02 0.00 4.11 -1.96 -2.96 114.58 113.41 3fax h GLU 1059Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 3fax h GLU 1059Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fax h GLU 1059CO -0.25 0.58 -0.01 0.82 0.07 0.00 0.00 179.01 180.22 3fax h ILE 1060N 0.00 1.21 -0.33 -1.06 2.04 -1.13 -0.52 117.51 117.72 3fax h ILE 1060Ca -0.01 -0.74 0.10 0.00 1.00 0.00 0.00 64.86 65.21 3fax h ILE 1060Cb 1.28 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3fax h ILE 1060CO 0.08 0.19 0.24 0.44 0.00 0.00 0.00 178.15 179.10 3fax h ASP 1061N -0.36 0.00 0.12 1.72 3.32 -1.03 -0.43 116.42 119.76 3fax h ASP 1061Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3fax h ASP 1061Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 3fax h ASP 1061CO 0.01 0.00 -0.99 0.03 -1.72 0.00 0.00 179.24 176.56 3fax h ARG 1062N 0.00 0.25 -0.01 3.56 3.08 -1.40 -3.41 114.38 116.45 3fax h ARG 1062Ca 0.16 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3fax h ARG 1062Cb 0.64 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3fax h ARG 1062CO -0.00 1.20 -0.72 0.39 -1.07 0.00 0.00 179.97 179.77 3fax n GLU 1063N -4.10 0.99 -3.81 0.04 1.02 -0.21 -4.82 120.64 109.75 3fax n GLU 1063Ca -0.18 -0.34 -0.36 0.00 -0.02 0.00 0.00 57.16 56.26 3fax n GLU 1063Cb 0.82 -1.40 -0.13 0.00 -0.02 0.00 0.00 31.44 30.72 3fax n GLU 1063CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fax s VAL 1064N -2.59 3.83 0.16 2.62 1.01 -0.19 -3.37 120.40 121.87 3fax s VAL 1064Ca 0.11 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.67 3fax s VAL 1064Cb 0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3fax s VAL 1064CO 0.68 0.25 -0.25 -0.44 0.00 0.00 0.00 175.10 175.34 3fax s SER 1065N 1.51 3.44 -0.47 3.32 0.01 0.14 -4.75 113.70 116.90 3fax s SER 1065Ca 0.04 -0.79 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 3fax s SER 1065Cb -0.16 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 65.86 3fax s SER 1065CO 0.01 0.15 0.42 -0.22 0.41 0.00 0.00 173.24 174.01 3fax s LEU 1066N -2.37 5.43 0.07 2.44 2.96 -1.26 -0.71 118.68 125.24 3fax s LEU 1066Ca 0.18 -1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 3fax s LEU 1066Cb -0.09 -2.23 -0.11 0.00 0.50 0.00 0.00 46.19 44.26 3fax s LEU 1066CO 0.08 -0.66 1.41 0.40 -1.32 0.00 0.00 176.35 176.27 3fax h ILE 1067N 5.76 1.31 -2.21 6.68 2.04 -1.63 -3.38 117.51 126.07 3fax h ILE 1067Ca -0.28 -1.23 -0.67 0.00 1.00 0.00 0.00 64.86 63.68 3fax h ILE 1067Cb 1.11 1.65 -0.16 0.00 -0.74 0.00 0.00 36.82 38.68 3fax h ILE 1067CO 0.87 0.38 0.92 0.42 0.00 0.00 0.00 178.15 180.74 3fax s THR 1068N -4.51 4.55 0.33 -0.27 -4.23 -1.18 -4.97 115.64 105.37 3fax s THR 1068Ca -0.14 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 58.93 3fax s THR 1068Cb 0.07 -4.82 -0.08 0.00 1.34 0.00 0.00 72.50 69.01 3fax s THR 1068CO 0.77 -1.58 0.70 -1.61 -0.54 0.00 0.00 174.62 172.36 3fax s GLU 1069N 3.20 3.87 -0.04 3.99 2.02 -1.26 -4.84 118.70 125.64 3fax s GLU 1069Ca 0.34 0.49 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 3fax s GLU 1069Cb -0.05 -2.47 -0.07 0.00 0.10 0.00 0.00 34.13 31.63 3fax s GLU 1069CO -0.08 0.13 1.92 0.08 0.02 0.00 0.00 175.26 177.33 3fax s VAL 1070N -2.08 3.18 0.00 2.63 1.01 -1.26 -1.93 120.40 121.95 3fax s VAL 1070Ca 0.51 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3fax s VAL 1070Cb -0.10 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3fax s VAL 1070CO 0.23 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3fax n GLY 1071N 4.65 3.09 3.57 4.51 0.00 -0.45 -5.02 105.19 115.54 3fax n GLY 1071Ca 0.21 -1.08 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 3fax n GLY 1071CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fax n GLN 1072N 0.00 1.74 0.00 1.61 6.02 -0.81 -4.61 117.38 121.33 3fax n GLN 1072Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 3fax n GLN 1072Cb 0.00 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.13 3fax n GLN 1072CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fax n GLY 1073N 5.92 2.56 0.23 1.08 0.00 -1.26 -2.93 105.19 110.79 3fax n GLY 1073Ca 0.33 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.20 3fax n GLY 1073CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fax n ASP 1074N 6.08 0.77 -4.65 1.61 2.03 -1.26 -4.92 116.55 116.21 3fax n ASP 1074Ca 0.00 -1.05 -0.43 0.00 0.52 0.00 0.00 54.79 53.83 3fax n ASP 1074Cb 0.00 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.37 3fax n ASP 1074CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fax s ILE 1075N -2.17 4.21 0.63 5.18 -1.09 -1.15 -4.99 121.20 121.81 3fax s ILE 1075Ca 0.37 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 60.24 3fax s ILE 1075Cb 0.21 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 37.16 3fax s ILE 1075CO 0.40 -0.22 0.88 -0.54 -1.23 0.00 0.00 174.94 174.23 3fax s LYS 1076N 3.71 2.12 0.02 2.79 1.02 -1.26 -1.34 119.74 126.80 3fax s LYS 1076Ca 0.56 -1.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 3fax s LYS 1076Cb -0.21 -2.43 -0.16 0.00 -0.52 0.00 0.00 37.83 34.51 3fax s LYS 1076CO 0.17 -1.07 1.40 1.49 -0.92 0.00 0.00 175.35 176.43 3fax h GLU 1077N -0.20 0.13 -5.34 1.68 4.81 -1.95 -3.39 114.58 110.32 3fax h GLU 1077Ca -0.38 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.19 3fax h GLU 1077Cb 1.28 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 3fax h GLU 1077CO 0.46 0.47 -0.37 0.15 -0.73 0.00 0.00 179.01 178.98 3fax s LYS 1078N -4.71 4.18 0.33 1.92 1.02 -1.26 -1.84 119.74 119.39 3fax s LYS 1078Ca -0.15 -0.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 3fax s LYS 1078Cb 0.04 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3fax s LYS 1078CO 0.70 0.15 0.69 0.34 -0.92 0.00 0.00 175.35 176.30 3fax s ASP 1079N 0.72 0.04 -0.15 2.83 -1.08 -0.70 -4.75 116.67 113.57 3fax s ASP 1079Ca 0.13 -1.01 0.18 0.00 -0.52 0.00 0.00 52.55 51.33 3fax s ASP 1079Cb -0.13 0.76 0.39 0.00 -1.46 0.00 0.00 42.92 42.47 3fax s ASP 1079CO 0.04 -1.47 1.26 0.18 0.52 0.00 0.00 175.17 175.70 3fax n LEU 1080N -0.50 2.96 -3.98 -1.34 4.77 -1.26 -2.13 117.00 115.53 3fax n LEU 1080Ca -0.05 -3.09 -0.14 0.00 -0.03 0.00 0.00 56.01 52.70 3fax n LEU 1080Cb 0.60 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 41.08 3fax n LEU 1080CO 0.23 0.72 -0.39 0.54 -1.33 0.00 0.00 177.39 177.16 3fax s VAL 1081N -2.88 0.35 -0.02 4.08 0.11 -1.26 -0.11 120.40 120.67 3fax s VAL 1081Ca 0.36 -0.51 -0.24 0.00 -2.93 0.00 0.00 61.98 58.66 3fax s VAL 1081Cb 0.31 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.85 3fax s VAL 1081CO 0.05 -0.12 0.53 -0.51 -3.33 0.00 0.00 175.10 171.72 3fax s ILE 1082N -0.62 0.02 -0.01 7.04 2.07 -0.71 -5.01 121.20 124.00 3fax s ILE 1082Ca -0.04 -0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 3fax s ILE 1082Cb -0.05 -0.88 0.01 0.00 0.13 0.00 0.00 42.46 41.67 3fax s ILE 1082CO -0.00 -0.11 0.23 0.00 -1.91 0.00 0.00 174.94 173.15 3fax s ALA 1083N -1.54 -0.58 -0.02 1.50 0.00 -1.26 -0.59 121.76 119.28 3fax s ALA 1083Ca -0.10 0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 3fax s ALA 1083Cb -0.02 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3fax s ALA 1083CO 0.05 -0.24 0.21 1.52 0.00 0.00 0.00 175.76 177.31 3fax s TYR 1084N -1.37 -0.08 -0.00 0.00 -0.85 -0.54 -1.58 117.35 112.93 3fax s TYR 1084Ca -0.14 0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.52 3fax s TYR 1084Cb -0.06 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.26 3fax s TYR 1084CO 0.03 -0.30 0.10 -0.65 -1.52 0.00 0.00 175.55 173.21 3fax s GLN 1085N -1.15 3.14 0.22 -3.49 -0.21 0.11 -1.39 119.66 116.89 3fax s GLN 1085Ca -0.12 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 54.82 3fax s GLN 1085Cb -0.06 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 3fax s GLN 1085CO 0.02 0.65 0.02 0.99 -2.12 0.00 0.00 175.29 174.86 3fax s THR 1086N -1.23 0.80 -0.03 -0.19 2.01 0.93 -0.69 115.64 117.24 3fax s THR 1086Ca 0.24 -2.01 -0.00 0.00 0.31 0.00 0.00 61.69 60.23 3fax s THR 1086Cb -0.12 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.08 3fax s THR 1086CO 0.15 -0.30 0.03 -0.63 -0.69 0.00 0.00 174.62 173.18 3fax s ILE 1087N -3.58 0.03 0.79 1.82 1.01 -1.22 -0.75 121.20 119.30 3fax s ILE 1087Ca 0.29 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.11 3fax s ILE 1087Cb 0.06 -0.19 0.15 0.00 0.01 0.00 0.00 42.46 42.49 3fax s ILE 1087CO 0.08 0.14 1.10 1.51 0.00 0.00 0.00 174.94 177.77 3fax s ASP 1088N 1.41 3.99 -1.11 3.58 1.47 -0.81 -4.52 116.67 120.67 3fax s ASP 1088Ca -0.05 -0.13 -0.08 0.00 1.18 0.00 0.00 52.55 53.48 3fax s ASP 1088Cb -0.13 -0.16 0.29 0.00 -0.34 0.00 0.00 42.92 42.57 3fax s ASP 1088CO -0.03 -2.12 1.23 -1.54 0.68 0.00 0.00 175.17 173.40 3fax n SER 1089N -3.13 5.77 -0.32 2.11 3.41 -1.26 -4.05 113.62 116.16 3fax n SER 1089Ca 0.15 -3.14 0.08 0.00 -0.26 0.00 0.00 58.87 55.69 3fax n SER 1089Cb 0.60 -1.35 0.13 0.00 -0.26 0.00 0.00 64.21 63.33 3fax n SER 1089CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fax n GLY 1091N 2.33 4.24 3.67 5.00 0.00 -1.26 -5.13 105.19 114.04 3fax n GLY 1091Ca 0.25 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3fax n GLY 1091CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fax s ASP 1092N -2.70 6.88 0.11 1.61 1.01 -1.26 -4.46 116.67 117.87 3fax s ASP 1092Ca 0.30 1.94 -0.21 0.00 0.71 0.00 0.00 52.55 55.29 3fax s ASP 1092Cb 0.27 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.59 3fax s ASP 1092CO -0.01 -0.75 0.63 -0.63 0.21 0.00 0.00 175.17 174.63 3fax s ILE 1093N 3.05 4.64 -0.01 0.77 1.01 -0.71 -1.93 121.20 128.00 3fax s ILE 1093Ca 0.61 1.32 0.05 0.00 0.00 0.00 0.00 60.65 62.63 3fax s ILE 1093Cb -0.27 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3fax s ILE 1093CO 0.22 0.50 -0.15 -0.31 0.00 0.00 0.00 174.94 175.20 3fax s TYR 1094N -1.17 1.37 -0.12 3.97 2.02 0.07 -0.92 117.35 122.56 3fax s TYR 1094Ca 0.32 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 3fax s TYR 1094Cb -0.20 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3fax s TYR 1094CO 0.21 -0.03 -0.11 0.00 -1.57 0.00 0.00 175.55 174.05 3fax s ALA 1095N -0.35 1.52 -0.19 3.71 0.00 -0.54 -0.05 121.76 125.87 3fax s ALA 1095Ca 0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3fax s ALA 1095Cb -0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3fax s ALA 1095CO -0.01 -0.29 0.03 0.08 0.00 0.00 0.00 175.76 175.58 3fax s VAL 1096N 1.40 4.32 -0.10 0.00 1.01 -0.49 -1.22 120.40 125.32 3fax s VAL 1096Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3fax s VAL 1096Cb -0.13 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3fax s VAL 1096CO -0.06 0.44 -0.19 -0.36 0.00 0.00 0.00 175.10 174.93 3fax s PHE 1097N 0.70 2.66 -0.24 5.22 0.08 0.15 -1.47 117.98 125.08 3fax s PHE 1097Ca 0.01 -0.77 -0.01 0.00 0.12 0.00 0.00 56.93 56.28 3fax s PHE 1097Cb -0.14 -1.74 0.07 0.00 -0.57 0.00 0.00 43.02 40.64 3fax s PHE 1097CO 0.02 -0.26 0.04 0.08 -0.10 0.00 0.00 175.22 175.00 3fax s VAL 1098N 0.19 0.86 -0.68 -0.44 1.01 0.24 -0.86 120.40 120.73 3fax s VAL 1098Ca -0.11 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 3fax s VAL 1098Cb -0.16 -1.42 0.14 0.00 0.00 0.00 0.00 36.38 34.94 3fax s VAL 1098CO 0.06 -0.35 0.74 0.21 0.00 0.00 0.00 175.10 175.77 3fax s ASN 1099N 1.67 6.38 0.00 3.32 2.47 -0.56 -1.73 114.94 126.49 3fax s ASN 1099Ca 0.02 -1.87 0.19 0.00 0.42 0.00 0.00 52.86 51.62 3fax s ASN 1099Cb -0.18 -2.28 0.74 0.00 -1.45 0.00 0.00 41.25 38.08 3fax s ASN 1099CO -0.14 -0.94 1.53 0.00 -3.72 0.00 0.00 177.10 173.83 3fax n ALA 1100N 5.64 2.53 -1.76 1.71 0.00 0.84 -1.53 120.51 127.93 3fax n ALA 1100Ca -0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 3fax n ALA 1100Cb 0.44 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 3fax n ALA 1100CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fax s ASP 1101N -1.49 6.18 0.00 0.00 -1.08 -1.03 -4.66 116.67 114.59 3fax s ASP 1101Ca 0.29 1.64 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 3fax s ASP 1101Cb 0.15 -2.51 1.31 0.00 -1.46 0.00 0.00 42.92 40.42 3fax s ASP 1101CO 0.23 -0.90 1.88 -1.54 0.52 0.00 0.00 175.17 175.37 3fax n SER 1102N -2.02 0.84 -4.47 -0.34 3.41 -1.26 -2.02 113.62 107.76 3fax n SER 1102Ca 0.07 -1.35 -0.23 0.00 -0.26 0.00 0.00 58.87 57.11 3fax n SER 1102Cb 0.54 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 3fax n SER 1102CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3fax s LYS 1103N -1.97 1.65 0.64 4.33 -2.85 -1.26 -4.85 119.74 115.43 3fax s LYS 1103Ca 0.40 -1.87 -0.14 0.00 -1.00 0.00 0.00 55.97 53.35 3fax s LYS 1103Cb 0.20 -1.20 -0.01 0.00 -2.06 0.00 0.00 37.83 34.76 3fax s LYS 1103CO 0.32 -0.02 1.07 0.00 0.10 0.00 0.00 175.35 176.83 3fax s ALA 1104N -3.00 2.62 -0.07 0.59 0.00 -1.26 -4.03 121.76 116.61 3fax s ALA 1104Ca 0.32 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3fax s ALA 1104Cb 0.06 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3fax s ALA 1104CO 0.14 -1.07 0.16 1.03 0.00 0.00 0.00 175.76 176.02 3fax s ARG 1105N -4.28 0.16 -0.30 0.00 1.81 -0.52 -4.94 118.95 110.88 3fax s ARG 1105Ca 0.63 0.30 -0.21 0.00 -1.72 0.00 0.00 55.73 54.73 3fax s ARG 1105Cb -0.17 -0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 3fax s ARG 1105CO 0.42 -0.08 0.68 1.21 -0.68 0.00 0.00 175.30 176.86 3fax s ASN 1106N 0.53 6.56 -0.31 0.23 3.84 -1.26 -1.13 114.94 123.41 3fax s ASN 1106Ca -0.04 0.53 -0.15 0.00 0.21 0.00 0.00 52.86 53.42 3fax s ASN 1106Cb -0.05 -2.36 -0.02 0.00 -0.55 0.00 0.00 41.25 38.27 3fax s ASN 1106CO -0.03 -0.51 0.36 -0.69 -2.79 0.00 0.00 177.10 173.44 3fax s VAL 1107N 2.71 5.17 -0.36 -5.21 1.01 0.55 -4.55 120.40 119.73 3fax s VAL 1107Ca 0.28 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 3fax s VAL 1107Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3fax s VAL 1107CO 0.12 0.02 1.06 -0.22 0.00 0.00 0.00 175.10 176.07 3fax s LEU 1108N 2.04 3.89 -0.02 3.92 2.96 -1.26 -1.78 118.68 128.43 3fax s LEU 1108Ca 0.13 0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 54.67 3fax s LEU 1108Cb -0.16 -3.49 -0.21 0.00 0.50 0.00 0.00 46.19 42.83 3fax s LEU 1108CO 0.11 -0.94 1.13 -0.07 -1.32 0.00 0.00 176.35 175.26 3fax h LEU 1109N 10.29 0.32 0.00 -0.68 3.38 -1.72 -3.46 115.31 123.45 3fax h LEU 1109Ca -0.21 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.06 3fax h LEU 1109Cb 1.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3fax h LEU 1109CO 1.04 0.97 0.00 0.61 0.09 0.00 0.00 178.44 181.15 3fax n GLY 1110N 0.82 -1.30 0.10 0.83 0.00 -1.20 -3.13 105.19 101.31 3fax n GLY 1110Ca -0.09 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3fax n GLY 1110CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fax h GLU 1111N 0.00 0.16 -0.41 1.61 4.39 -1.96 -2.20 114.58 116.16 3fax h GLU 1111Ca 0.00 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3fax h GLU 1111Cb 0.00 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3fax h GLU 1111CO 0.00 0.10 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.66 3fax h LYS 1112N 0.16 0.70 -0.09 2.33 3.64 -2.01 -3.30 116.57 118.00 3fax h LYS 1112Ca 0.08 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3fax h LYS 1112Cb 0.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3fax h LYS 1112CO -0.07 0.77 0.00 0.66 -2.27 0.00 0.00 179.45 178.54 3fax n TYR 1113N -4.19 0.12 0.31 1.91 4.01 -1.18 -4.66 117.16 113.47 3fax n TYR 1113Ca 0.02 -0.31 0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3fax n TYR 1113Cb 0.33 -0.02 0.99 0.00 -0.31 0.00 0.00 39.34 40.32 3fax n TYR 1113CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3fax h LYS 1114N 0.85 0.00 -0.01 -0.72 2.10 -1.47 -1.54 116.57 115.77 3fax h LYS 1114Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fax h LYS 1114Cb 0.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 3fax h LYS 1114CO 0.00 0.01 0.04 1.12 -2.00 0.00 0.00 179.45 178.63 3fax h HIS 1115N 0.00 0.00 -0.62 0.07 2.07 -1.84 -2.32 115.15 112.51 3fax h HIS 1115Ca -0.00 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.60 3fax h HIS 1115Cb 0.05 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.99 3fax h HIS 1115CO 0.00 0.00 0.41 -0.07 -3.07 0.00 0.00 177.93 175.20 3fax h LEU 1116N 0.00 0.47 -2.24 6.12 3.38 -1.65 -2.46 115.31 118.93 3fax h LEU 1116Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3fax h LEU 1116Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fax h LEU 1116CO -0.00 0.30 0.09 -0.07 0.09 0.00 0.00 178.44 178.84 3fax h LEU 1117N 0.53 0.00 -0.58 1.67 3.38 -1.63 0.12 115.31 118.80 3fax h LEU 1117Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3fax h LEU 1117Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3fax h LEU 1117CO -0.08 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.56 3fax h LYS 1118N 0.00 0.00 0.00 1.13 1.79 -1.65 -3.45 116.57 114.40 3fax h LYS 1118Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3fax h LYS 1118Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3fax h LYS 1118CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 3fax n GLY 1119N 0.44 -1.00 3.16 3.86 0.00 0.03 -5.02 105.19 106.67 3fax n GLY 1119Ca 0.03 -1.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 3fax n GLY 1119CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fax s GLN 1120N -2.62 0.80 -0.10 1.61 -0.21 -0.16 -4.94 119.66 114.04 3fax s GLN 1120Ca 0.00 -1.00 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 3fax s GLN 1120Cb 0.00 -0.69 -0.03 0.00 1.00 0.00 0.00 33.01 33.29 3fax s GLN 1120CO 0.00 0.14 0.73 0.08 -2.12 0.00 0.00 175.29 174.12 3fax s VAL 1121N -1.62 5.00 -0.07 1.09 1.01 -1.26 0.01 120.40 124.57 3fax s VAL 1121Ca -0.01 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.47 3fax s VAL 1121Cb -0.08 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3fax s VAL 1121CO 0.02 0.19 0.06 2.30 0.00 0.00 0.00 175.10 177.67 3fax n ILE 1122N 4.07 0.00 -4.40 2.22 -5.35 -0.14 -0.15 119.36 115.60 3fax n ILE 1122Ca 0.00 -0.40 -0.21 0.00 -0.27 0.00 0.00 62.75 61.87 3fax n ILE 1122Cb 0.51 0.92 -0.15 0.00 -1.74 0.00 0.00 39.64 39.18 3fax n ILE 1122CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3fax s VAL 1123N -1.29 0.81 0.00 7.28 1.01 -1.07 -2.10 120.40 125.03 3fax s VAL 1123Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3fax s VAL 1123Cb 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3fax s VAL 1123CO 0.07 0.25 0.00 -0.90 0.00 0.00 0.00 175.10 174.52 3fax n ASP 1124N 3.29 0.00 -0.26 3.32 5.68 -0.49 -1.51 116.55 126.57 3fax n ASP 1124Ca -0.18 -0.81 0.01 0.00 -0.50 0.00 0.00 54.79 53.31 3fax n ASP 1124Cb 0.54 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.75 3fax n ASP 1124CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fax h ALA 1125N 1.16 1.46 0.04 2.12 0.00 -1.65 -3.27 119.26 119.11 3fax h ALA 1125Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 3fax h ALA 1125Cb 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 3fax h ALA 1125CO 0.00 0.48 -1.95 -0.25 0.00 0.00 0.00 179.25 177.54 3fax n ASP 1126N -4.43 1.19 -3.81 0.00 8.00 -1.26 -4.97 116.55 111.28 3fax n ASP 1126Ca 0.10 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 3fax n ASP 1126Cb 0.07 -0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 3fax n ASP 1126CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fax s GLN 1127N -2.57 0.71 0.05 -1.24 -2.07 -1.23 -4.87 119.66 108.45 3fax s GLN 1127Ca -0.13 -0.53 0.05 0.00 -1.82 0.00 0.00 55.36 52.94 3fax s GLN 1127Cb 0.07 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.27 3fax s GLN 1127CO 0.79 -0.21 -0.15 0.00 -1.32 0.00 0.00 175.29 174.40 3fax s ALA 1128N -2.33 1.27 0.00 2.60 0.00 -1.26 -1.40 121.76 120.63 3fax s ALA 1128Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3fax s ALA 1128Cb -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3fax s ALA 1128CO -0.02 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.38 3fax n GLY 1129N 1.67 -0.61 0.00 0.00 0.00 -0.89 -4.27 105.19 101.08 3fax n GLY 1129Ca -0.19 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3fax n GLY 1129CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fax n ILE 1130N 3.82 0.00 -2.56 -0.61 -5.35 -1.26 -4.63 119.36 108.77 3fax n ILE 1130Ca 0.00 -0.25 -0.38 0.00 -0.27 0.00 0.00 62.75 61.85 3fax n ILE 1130Cb 0.00 0.66 -0.05 0.00 -1.74 0.00 0.00 39.64 38.51 3fax n ILE 1130CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3fax s LYS 1131N -2.27 4.45 0.31 6.28 3.01 -1.26 -4.97 119.74 125.29 3fax s LYS 1131Ca 0.00 1.60 -0.29 0.00 -1.01 0.00 0.00 55.97 56.27 3fax s LYS 1131Cb 0.07 -2.88 -0.10 0.00 -1.01 0.00 0.00 37.83 33.91 3fax s LYS 1131CO 0.40 0.10 1.21 -2.14 0.51 0.00 0.00 175.35 175.42 3fax s PRO 1132N -1.93 4.49 -0.38 -1.68 0.02 -1.26 -4.55 135.00 129.71 3fax s PRO 1132Ca 0.50 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.37 3fax s PRO 1132Cb -0.26 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3fax s PRO 1132CO 0.33 0.00 0.49 0.42 -0.33 0.00 0.00 177.00 177.91 3fax s ILE 1133N -1.14 5.03 0.17 2.83 1.01 0.78 -4.96 121.20 124.92 3fax s ILE 1133Ca 0.47 0.10 0.20 0.00 0.00 0.00 0.00 60.65 61.42 3fax s ILE 1133Cb -0.36 -3.99 0.16 0.00 0.01 0.00 0.00 42.46 38.28 3fax s ILE 1133CO 0.47 -0.30 1.77 0.77 0.00 0.00 0.00 174.94 177.65 3fax h SER 1134N 8.58 0.00 -2.08 3.58 4.64 -1.95 -3.35 113.55 122.97 3fax h SER 1134Ca -0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.47 3fax h SER 1134Cb 1.12 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.81 3fax h SER 1134CO 0.78 0.33 -0.90 1.07 -0.87 0.00 0.00 176.83 177.24 3fax n THR 1135N -3.51 0.62 -1.76 2.95 5.66 -1.26 -5.13 114.28 111.85 3fax n THR 1135Ca -0.00 -4.56 -0.38 0.00 -3.05 0.00 0.00 64.05 56.06 3fax n THR 1135Cb 0.48 -1.89 0.05 0.00 -1.55 0.00 0.00 70.33 67.42 3fax n THR 1135CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 3fax s PRO 1136N -1.83 2.96 0.09 1.09 0.02 -1.26 -5.03 135.00 131.05 3fax s PRO 1136Ca 0.38 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.66 3fax s PRO 1136Cb 0.18 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 3fax s PRO 1136CO -0.07 -1.32 -0.10 1.03 -0.33 0.00 0.00 177.00 176.21 3fax s ARG 1137N -3.04 2.15 -0.00 5.54 1.81 -1.26 -4.70 118.95 119.45 3fax s ARG 1137Ca 0.75 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.76 3fax s ARG 1137Cb -0.40 -2.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 3fax s ARG 1137CO 0.46 0.52 0.00 0.41 -0.68 0.00 0.00 175.30 176.00 3fax n GLY 1138N 0.84 0.48 3.09 -3.53 0.00 -1.26 -2.95 105.19 101.85 3fax n GLY 1138Ca -0.14 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3fax n GLY 1138CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fax s VAL 1139N -2.00 0.06 -0.02 1.61 0.11 -1.26 -0.85 120.40 118.05 3fax s VAL 1139Ca 0.00 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 3fax s VAL 1139Cb 0.00 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3fax s VAL 1139CO 0.00 -0.28 -0.03 -1.00 -3.33 0.00 0.00 175.10 170.46 3fax s HIS 1140N -0.99 0.44 -0.06 1.54 0.09 -0.30 -4.97 115.29 111.04 3fax s HIS 1140Ca -0.11 -0.08 -0.04 0.00 -0.00 0.00 0.00 55.06 54.84 3fax s HIS 1140Cb -0.06 -0.36 -0.04 0.00 -0.00 0.00 0.00 32.58 32.12 3fax s HIS 1140CO 0.01 -0.07 0.12 -0.06 -0.00 0.00 0.00 174.74 174.74 3fax s PHE 1141N 0.33 3.45 0.15 1.40 0.08 -1.26 -0.06 117.98 122.08 3fax s PHE 1141Ca -0.03 0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.39 3fax s PHE 1141Cb -0.07 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3fax s PHE 1141CO -0.00 0.64 0.03 0.39 -0.10 0.00 0.00 175.22 176.17 3fax n GLU 1142N 1.59 1.07 -0.33 0.44 -0.58 0.18 -4.98 120.64 118.03 3fax n GLU 1142Ca -0.16 -1.20 0.07 0.00 -0.42 0.00 0.00 57.16 55.44 3fax n GLU 1142Cb 0.54 0.54 0.26 0.00 -0.57 0.00 0.00 31.44 32.20 3fax n GLU 1142CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3fax h LYS 1143N 0.00 0.94 -0.06 3.49 1.63 -2.02 -3.32 116.57 117.23 3fax h LYS 1143Ca -0.12 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.45 3fax h LYS 1143Cb 0.42 -0.21 -0.28 0.00 -0.60 0.00 0.00 32.23 31.56 3fax h LYS 1143CO 0.19 0.62 -0.72 -0.40 -3.45 0.00 0.00 179.45 175.70 3fax n ASP 1144N -4.56 0.14 -3.59 4.20 5.75 -1.26 -5.04 116.55 112.19 3fax n ASP 1144Ca 0.17 -2.03 -0.09 0.00 -0.01 0.00 0.00 54.79 52.84 3fax n ASP 1144Cb 0.31 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 3fax n ASP 1144CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fax s SER 1145N -1.82 -0.39 -0.09 -1.12 1.04 -1.25 -1.85 113.70 108.23 3fax s SER 1145Ca 0.19 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.47 3fax s SER 1145Cb 0.26 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.93 3fax s SER 1145CO -0.09 -0.94 -0.23 -0.76 0.98 0.00 0.00 173.24 172.19 3fax s LEU 1146N -2.75 2.06 -0.50 2.42 1.02 -0.73 -0.64 118.68 119.55 3fax s LEU 1146Ca 0.06 -0.54 -0.18 0.00 0.02 0.00 0.00 54.13 53.49 3fax s LEU 1146Cb -0.02 -1.36 0.06 0.00 0.02 0.00 0.00 46.19 44.89 3fax s LEU 1146CO -0.05 0.16 0.57 -0.22 0.02 0.00 0.00 176.35 176.83 3fax s LEU 1147N 0.30 5.15 -0.11 1.79 2.96 0.92 -0.33 118.68 129.36 3fax s LEU 1147Ca -0.17 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.58 3fax s LEU 1147Cb -0.17 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 3fax s LEU 1147CO 0.08 -0.84 0.29 -0.63 -1.32 0.00 0.00 176.35 173.93 3fax s ILE 1148N 2.38 5.28 0.88 6.68 1.01 -0.28 -1.15 121.20 136.00 3fax s ILE 1148Ca 0.12 0.55 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 3fax s ILE 1148Cb -0.21 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.79 3fax s ILE 1148CO 0.10 0.49 1.15 -1.81 0.00 0.00 0.00 174.94 174.87 3fax s ASP 1149N -0.26 3.21 0.50 3.58 1.11 -0.03 -1.43 116.67 123.35 3fax s ASP 1149Ca 0.18 2.19 -0.22 0.00 0.18 0.00 0.00 52.55 54.88 3fax s ASP 1149Cb -0.14 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.22 3fax s ASP 1149CO 0.06 -2.91 1.20 -2.84 1.18 0.00 0.00 175.17 171.85 3fax s PRO 1150N -4.57 3.50 -1.29 8.23 0.02 -1.26 -3.57 135.00 136.06 3fax s PRO 1150Ca 0.67 1.83 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 3fax s PRO 1150Cb -0.23 -2.26 -0.00 0.00 0.02 0.00 0.00 34.50 32.02 3fax s PRO 1150CO 0.56 -0.79 0.68 1.28 -0.33 0.00 0.00 177.00 178.40 3fax n LEU 1151N -0.84 -3.06 -3.90 -5.54 4.77 -0.58 -4.98 117.00 102.86 3fax n LEU 1151Ca 0.09 -0.87 -0.11 0.00 -0.03 0.00 0.00 56.01 55.09 3fax n LEU 1151Cb 0.48 -2.58 -0.12 0.00 -2.33 0.00 0.00 43.42 38.86 3fax n LEU 1151CO 0.47 0.40 -0.31 -0.89 -1.33 0.00 0.00 177.39 175.73 3fax s THR 1152N -3.68 0.04 -0.05 -5.08 2.01 -0.74 -4.72 115.64 103.42 3fax s THR 1152Ca 0.09 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.76 3fax s THR 1152Cb -0.03 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 3fax s THR 1152CO 0.83 -0.20 -0.17 0.00 -0.69 0.00 0.00 174.62 174.38 3fax s ALA 1153N -0.61 2.52 -0.03 7.40 0.00 -1.26 -1.49 121.76 128.28 3fax s ALA 1153Ca -0.07 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3fax s ALA 1153Cb -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 3fax s ALA 1153CO -0.00 0.51 -0.16 0.42 0.00 0.00 0.00 175.76 176.53 3fax s ILE 1154N -0.56 1.31 -0.06 0.00 -1.09 -0.04 -3.81 121.20 116.94 3fax s ILE 1154Ca 0.08 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3fax s ILE 1154Cb -0.11 -1.12 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 3fax s ILE 1154CO 0.01 0.38 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.28 3fax s VAL 1155N -0.04 1.16 -0.06 2.92 1.01 -0.57 0.35 120.40 125.17 3fax s VAL 1155Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3fax s VAL 1155Cb -0.10 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3fax s VAL 1155CO 0.01 0.36 -0.13 -0.63 0.00 0.00 0.00 175.10 174.71 3fax s ILE 1156N 0.61 3.18 -0.15 2.22 1.01 -0.36 -0.97 121.20 126.74 3fax s ILE 1156Ca -0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3fax s ILE 1156Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3fax s ILE 1156CO 0.04 0.59 -0.07 -0.75 0.00 0.00 0.00 174.94 174.74 3fax s LYS 1157N -0.65 3.56 -0.46 2.79 2.20 0.10 -1.46 119.74 125.82 3fax s LYS 1157Ca 0.10 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3fax s LYS 1157Cb -0.11 -2.80 0.12 0.00 -1.51 0.00 0.00 37.83 33.53 3fax s LYS 1157CO 0.01 0.23 0.20 0.08 -0.36 0.00 0.00 175.35 175.51 3fax s VAL 1158N 0.36 2.42 0.82 4.02 1.01 -0.10 -0.99 120.40 127.94 3fax s VAL 1158Ca -0.07 -2.99 -0.11 0.00 0.00 0.00 0.00 61.98 58.81 3fax s VAL 1158Cb -0.15 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.60 3fax s VAL 1158CO 0.04 -0.75 1.09 -0.83 0.00 0.00 0.00 175.10 174.66 3fax s GLY 1159N 0.09 1.66 0.00 4.51 0.00 -1.26 -1.74 107.32 110.57 3fax s GLY 1159Ca 0.15 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3fax s GLY 1159CO -0.03 0.58 0.00 1.17 0.00 0.00 0.00 173.10 174.82