#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iox h ALA 387 N 0.00 1.01 -0.35 0.00 0.00 -2.05 -0.22 119.26 117.65 3iox h ALA 387 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3iox h ALA 387 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iox h ALA 387 CO 0.00 0.60 -0.34 -0.91 0.00 0.00 0.00 179.25 178.60 3iox h ASN 388 N 0.75 0.91 -0.40 0.00 -0.26 -2.01 -1.14 115.58 113.43 3iox h ASN 388 Ca 0.13 -0.46 -0.03 0.00 -0.56 0.00 0.00 56.30 55.38 3iox h ASN 388 Cb 0.54 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 3iox h ASN 388 CO 0.03 1.19 0.13 -0.08 -1.06 0.00 0.00 177.43 177.64 3iox h GLU 389 N 0.65 0.62 -0.74 0.81 4.57 -1.92 0.14 114.58 118.71 3iox h GLU 389 Ca 0.06 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3iox h GLU 389 Cb 0.93 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 3iox h GLU 389 CO 0.09 0.61 0.24 0.00 -1.18 0.00 0.00 179.01 178.76 3iox h ALA 390 N 0.98 1.03 -0.67 2.92 0.00 -1.00 -0.64 119.26 121.87 3iox h ALA 390 Ca 0.13 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3iox h ALA 390 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iox h ALA 390 CO -0.01 0.66 0.10 0.22 0.00 0.00 0.00 179.25 180.23 3iox h ASP 391 N 1.09 1.07 -0.30 0.00 1.82 -0.85 -1.96 116.42 117.28 3iox h ASP 391 Ca 0.24 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.59 3iox h ASP 391 Cb 0.29 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 3iox h ASP 391 CO -0.01 1.06 0.08 0.22 -1.61 0.00 0.00 179.24 178.98 3iox h TYR 392 N 1.03 0.50 -0.29 0.28 3.20 -0.19 -2.29 116.97 119.22 3iox h TYR 392 Ca 0.20 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3iox h TYR 392 Cb 0.45 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3iox h TYR 392 CO 0.03 0.53 0.03 1.96 -1.64 0.00 0.00 178.16 179.07 3iox h GLN 393 N 0.33 0.43 -0.40 1.82 1.08 -1.02 0.06 115.11 117.41 3iox h GLN 393 Ca 0.10 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3iox h GLN 393 Cb 0.28 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3iox h GLN 393 CO -0.00 0.44 0.13 0.00 -0.95 0.00 0.00 178.83 178.45 3iox h ALA 394 N 1.62 0.52 -0.27 3.87 0.00 -1.08 -0.80 119.26 123.12 3iox h ALA 394 Ca 0.10 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3iox h ALA 394 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iox h ALA 394 CO 0.00 0.16 -0.30 0.87 0.00 0.00 0.00 179.25 179.98 3iox h LYS 395 N 0.50 0.55 -0.15 0.00 1.57 -0.88 -1.63 116.57 116.54 3iox h LYS 395 Ca 0.13 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3iox h LYS 395 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3iox h LYS 395 CO -0.01 0.79 0.05 1.25 -0.57 0.00 0.00 179.45 180.97 3iox h LEU 396 N 0.48 0.21 -0.53 2.94 5.85 -0.69 0.16 115.31 123.72 3iox h LEU 396 Ca 0.06 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3iox h LEU 396 Cb 0.76 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3iox h LEU 396 CO 0.06 0.35 0.33 0.74 -0.34 0.00 0.00 178.44 179.58 3iox h THR 397 N 0.07 1.15 -0.36 1.05 2.02 -1.06 -0.21 112.91 115.57 3iox h THR 397 Ca 0.05 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iox h THR 397 Cb 0.21 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3iox h THR 397 CO -0.00 0.15 0.23 0.00 0.37 0.00 0.00 175.52 176.27 3iox h ALA 398 N 1.17 0.46 -0.17 6.16 0.00 -1.08 -1.42 119.26 124.38 3iox h ALA 398 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3iox h ALA 398 Cb -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iox h ALA 398 CO -0.04 -0.07 0.07 -0.92 0.00 0.00 0.00 179.25 178.29 3iox h TYR 399 N 0.48 0.13 -0.36 0.00 3.20 -0.29 -0.69 116.97 119.44 3iox h TYR 399 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3iox h TYR 399 Cb -0.04 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3iox h TYR 399 CO -0.05 0.07 0.06 1.96 -1.64 0.00 0.00 178.16 178.56 3iox h GLN 400 N 0.16 0.53 -0.36 1.82 4.20 -0.85 0.68 115.11 121.29 3iox h GLN 400 Ca 0.07 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 3iox h GLN 400 Cb 0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3iox h GLN 400 CO -0.06 0.51 -0.42 1.15 -0.67 0.00 0.00 178.83 179.34 3iox h THR 401 N 0.52 1.27 -0.54 -0.54 2.02 -0.88 -2.21 112.91 112.55 3iox h THR 401 Ca 0.12 -1.59 -0.09 0.00 0.77 0.00 0.00 66.41 65.62 3iox h THR 401 Cb 0.24 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3iox h THR 401 CO 0.00 0.53 -0.01 -0.08 0.37 0.00 0.00 175.52 176.33 3iox h GLU 402 N 0.73 0.96 0.05 6.66 4.57 -0.53 -1.89 114.58 125.13 3iox h GLU 402 Ca 0.05 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3iox h GLU 402 Cb 1.01 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 3iox h GLU 402 CO 0.10 0.97 -0.10 1.25 -1.18 0.00 0.00 179.01 180.05 3iox h LEU 403 N 0.83 -0.26 -1.44 1.64 5.85 -0.80 -1.47 115.31 119.66 3iox h LEU 403 Ca 0.15 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3iox h LEU 403 Cb 0.54 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3iox h LEU 403 CO 0.03 -0.14 0.40 0.00 -0.34 0.00 0.00 178.44 178.39 3iox h ALA 404 N 0.74 1.65 0.07 1.25 0.00 -1.27 -0.99 119.26 120.70 3iox h ALA 404 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iox h ALA 404 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iox h ALA 404 CO -0.06 0.30 -0.03 -0.09 0.00 0.00 0.00 179.25 179.36 3iox h ARG 405 N 0.74 -0.09 -0.81 0.00 2.43 -0.83 -1.32 114.38 114.51 3iox h ARG 405 Ca 0.24 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 3iox h ARG 405 Cb 0.04 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3iox h ARG 405 CO -0.06 0.12 0.51 0.28 -1.51 0.00 0.00 179.97 179.31 3iox h VAL 406 N -0.29 1.09 -0.43 0.20 2.07 -0.85 0.75 116.25 118.78 3iox h VAL 406 Ca -0.01 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3iox h VAL 406 Cb 0.25 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3iox h VAL 406 CO 0.02 0.18 0.26 1.56 0.02 0.00 0.00 177.57 179.61 3iox h GLN 407 N 0.97 0.58 -0.37 1.57 4.20 -1.02 0.53 115.11 121.57 3iox h GLN 407 Ca 0.33 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 3iox h GLN 407 Cb 0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3iox h GLN 407 CO -0.14 0.42 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.17 3iox h LYS 408 N 0.57 0.69 -0.42 1.46 3.64 -0.82 -1.62 116.57 120.07 3iox h LYS 408 Ca 0.15 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3iox h LYS 408 Cb -0.01 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3iox h LYS 408 CO -0.03 0.82 0.16 0.00 -2.27 0.00 0.00 179.45 178.14 3iox h ALA 409 N 0.84 0.51 -0.07 5.00 0.00 -0.57 -0.91 119.26 124.06 3iox h ALA 409 Ca 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3iox h ALA 409 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3iox h ALA 409 CO 0.03 -0.22 -0.34 -0.91 0.00 0.00 0.00 179.25 177.81 3iox h ASN 410 N 0.34 0.14 -0.45 0.00 2.35 -0.81 -1.28 115.58 115.88 3iox h ASN 410 Ca 0.19 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3iox h ASN 410 Cb 0.16 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3iox h ASN 410 CO -0.18 0.49 0.01 0.00 -1.65 0.00 0.00 177.43 176.10 3iox h ALA 411 N 1.53 0.60 -0.49 -0.83 0.00 -0.48 0.47 119.26 120.07 3iox h ALA 411 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3iox h ALA 411 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3iox h ALA 411 CO 0.05 0.39 0.02 -0.44 0.00 0.00 0.00 179.25 179.26 3iox h ASP 412 N 0.63 0.83 -0.46 0.00 3.32 -0.92 -1.54 116.42 118.29 3iox h ASP 412 Ca 0.13 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.89 3iox h ASP 412 Cb 0.48 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3iox h ASP 412 CO 0.02 0.93 0.29 0.00 -1.72 0.00 0.00 179.24 178.76 3iox h ALA 413 N 0.94 0.59 -0.75 3.45 0.00 -1.00 -0.91 119.26 121.57 3iox h ALA 413 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3iox h ALA 413 Cb 0.49 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3iox h ALA 413 CO 0.02 -0.00 0.41 -0.22 0.00 0.00 0.00 179.25 179.46 3iox h LYS 414 N 0.59 1.05 -0.65 0.00 3.64 -0.73 -0.69 116.57 119.79 3iox h LYS 414 Ca 0.18 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3iox h LYS 414 Cb -0.03 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 3iox h LYS 414 CO -0.06 0.79 0.19 0.00 -2.27 0.00 0.00 179.45 178.09 3iox h ALA 415 N 1.21 1.11 -0.26 5.00 0.00 -0.82 -0.44 119.26 125.05 3iox h ALA 415 Ca 0.26 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3iox h ALA 415 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3iox h ALA 415 CO -0.04 0.60 -0.33 0.00 0.00 0.00 0.00 179.25 179.49 3iox h ALA 416 N 1.25 0.94 -0.27 0.00 0.00 -0.69 -1.91 119.26 118.58 3iox h ALA 416 Ca 0.21 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3iox h ALA 416 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3iox h ALA 416 CO -0.01 0.61 -0.43 -0.92 0.00 0.00 0.00 179.25 178.51 3iox h TYR 417 N 0.48 0.79 -0.24 0.00 3.20 -0.65 -2.00 116.97 118.55 3iox h TYR 417 Ca 0.06 -0.24 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 3iox h TYR 417 Cb 0.80 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3iox h TYR 417 CO 0.03 0.97 -0.26 0.93 -1.64 0.00 0.00 178.16 178.19 3iox h GLU 418 N 0.53 0.47 -0.30 1.82 5.08 -0.87 0.27 114.58 121.59 3iox h GLU 418 Ca 0.04 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 3iox h GLU 418 Cb 0.96 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3iox h GLU 418 CO 0.09 0.69 -0.31 0.00 -1.00 0.00 0.00 179.01 178.48 3iox h ALA 419 N 1.31 0.90 -0.16 3.43 0.00 -1.13 -0.25 119.26 123.37 3iox h ALA 419 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3iox h ALA 419 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iox h ALA 419 CO 0.05 0.62 -0.62 0.00 0.00 0.00 0.00 179.25 179.31 3iox h ALA 420 N 1.12 0.63 -0.51 0.00 0.00 -0.96 -2.13 119.26 117.42 3iox h ALA 420 Ca 0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3iox h ALA 420 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3iox h ALA 420 CO 0.07 0.71 -0.06 0.28 0.00 0.00 0.00 179.25 180.24 3iox h VAL 421 N 0.41 1.27 -0.44 0.00 2.07 -0.69 -1.10 116.25 117.76 3iox h VAL 421 Ca -0.01 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3iox h VAL 421 Cb 1.18 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3iox h VAL 421 CO 0.11 0.41 0.12 0.00 0.02 0.00 0.00 177.57 178.24 3iox h ALA 422 N 0.92 0.58 -0.57 1.67 0.00 -0.98 -0.41 119.26 120.48 3iox h ALA 422 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3iox h ALA 422 Cb 0.61 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3iox h ALA 422 CO 0.04 0.25 0.17 0.00 0.00 0.00 0.00 179.25 179.71 3iox h ALA 423 N 0.98 1.23 -0.31 0.00 0.00 -1.26 -0.68 119.26 119.22 3iox h ALA 423 Ca 0.14 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3iox h ALA 423 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iox h ALA 423 CO -0.00 0.54 -0.48 -0.97 0.00 0.00 0.00 179.25 178.34 3iox h ASN 424 N 0.83 0.92 -0.53 0.00 -1.24 -0.91 -1.35 115.58 113.29 3iox h ASN 424 Ca 0.19 -0.46 -0.12 0.00 0.71 0.00 0.00 56.30 56.62 3iox h ASN 424 Cb 0.26 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 3iox h ASN 424 CO -0.01 1.25 -0.13 0.78 -1.29 0.00 0.00 177.43 178.03 3iox h ASN 425 N 0.66 1.04 -0.51 1.15 2.35 -0.75 -0.67 115.58 118.85 3iox h ASN 425 Ca 0.03 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 3iox h ASN 425 Cb 1.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3iox h ASN 425 CO 0.11 1.16 0.16 0.00 -1.65 0.00 0.00 177.43 177.20 3iox h ALA 426 N 0.93 0.67 -0.46 -0.83 0.00 -1.07 0.11 119.26 118.60 3iox h ALA 426 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iox h ALA 426 Cb 0.70 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iox h ALA 426 CO 0.05 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.91 3iox h ALA 427 N 1.02 0.59 0.00 0.00 0.00 -0.98 -1.69 119.26 118.20 3iox h ALA 427 Ca 0.16 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iox h ALA 427 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iox h ALA 427 CO -0.01 0.08 -0.44 -0.91 0.00 0.00 0.00 179.25 177.97 3iox h ASN 428 N 0.61 0.00 -0.28 0.00 2.35 -0.93 -1.00 115.58 116.34 3iox h ASN 428 Ca 0.17 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3iox h ASN 428 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3iox h ASN 428 CO -0.03 0.44 -0.15 0.00 -1.65 0.00 0.00 177.43 176.04 3iox h ALA 429 N 1.56 0.40 -0.37 -0.83 0.00 -0.64 0.26 119.26 119.64 3iox h ALA 429 Ca -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 3iox h ALA 429 Cb 1.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3iox h ALA 429 CO 0.06 0.29 -0.37 0.00 0.00 0.00 0.00 179.25 179.23 3iox h ALA 430 N 0.74 0.65 -0.59 0.00 0.00 -1.23 -1.36 119.26 117.47 3iox h ALA 430 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3iox h ALA 430 Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3iox h ALA 430 CO 0.04 0.67 0.06 -0.07 0.00 0.00 0.00 179.25 179.95 3iox h LEU 431 N 0.72 0.97 -0.33 0.00 3.38 -1.09 0.12 115.31 119.06 3iox h LEU 431 Ca 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3iox h LEU 431 Cb 0.94 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3iox h LEU 431 CO 0.09 1.00 0.01 0.74 0.09 0.00 0.00 178.44 180.37 3iox h THR 432 N 0.89 1.26 -0.58 0.22 2.02 -0.86 -0.16 112.91 115.71 3iox h THR 432 Ca 0.17 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 3iox h THR 432 Cb 0.47 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3iox h THR 432 CO 0.02 0.31 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 3iox h ALA 433 N 0.86 0.78 -0.24 6.16 0.00 -1.11 -1.98 119.26 123.73 3iox h ALA 433 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3iox h ALA 433 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iox h ALA 433 CO 0.02 0.63 -0.41 1.49 0.00 0.00 0.00 179.25 180.98 3iox h GLU 434 N 0.92 0.56 -0.63 0.00 4.57 -0.69 -1.62 114.58 117.70 3iox h GLU 434 Ca 0.16 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3iox h GLU 434 Cb 0.57 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 3iox h GLU 434 CO 0.03 0.87 0.09 -0.91 -1.18 0.00 0.00 179.01 177.92 3iox h ASN 435 N 0.46 0.98 -0.45 1.04 2.35 -0.82 0.41 115.58 119.56 3iox h ASN 435 Ca 0.04 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 3iox h ASN 435 Cb 0.91 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3iox h ASN 435 CO 0.08 0.98 0.09 0.74 -1.65 0.00 0.00 177.43 177.67 3iox h THR 436 N 0.96 1.24 -0.75 2.81 2.02 -1.18 -0.51 112.91 117.50 3iox h THR 436 Ca 0.19 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 3iox h THR 436 Cb 0.43 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3iox h THR 436 CO 0.01 0.30 0.35 0.00 0.37 0.00 0.00 175.52 176.56 3iox h ALA 437 N 0.96 0.97 -0.49 6.16 0.00 -0.78 -1.92 119.26 124.15 3iox h ALA 437 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iox h ALA 437 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3iox h ALA 437 CO 0.01 0.54 0.20 0.82 0.00 0.00 0.00 179.25 180.82 3iox h ILE 438 N 1.06 1.21 -0.89 0.00 2.04 0.13 0.12 117.51 121.18 3iox h ILE 438 Ca 0.26 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3iox h ILE 438 Cb 0.13 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3iox h ILE 438 CO -0.03 0.24 0.58 0.11 0.00 0.00 0.00 178.15 179.05 3iox h LYS 439 N 0.66 1.12 -0.29 2.37 1.57 -0.81 0.30 116.57 121.49 3iox h LYS 439 Ca 0.16 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3iox h LYS 439 Cb 0.19 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3iox h LYS 439 CO -0.01 0.74 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.32 3iox h LYS 440 N 1.15 0.56 -0.67 3.15 3.64 -0.96 -1.33 116.57 122.11 3iox h LYS 440 Ca 0.34 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3iox h LYS 440 Cb -0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3iox h LYS 440 CO -0.10 0.76 0.21 0.00 -2.27 0.00 0.00 179.45 178.05 3iox h ARG 441 N 0.32 1.02 -0.43 1.90 3.08 -0.64 -1.18 114.38 118.47 3iox h ARG 441 Ca 0.07 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3iox h ARG 441 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3iox h ARG 441 CO 0.03 0.88 0.07 -0.91 -1.07 0.00 0.00 179.97 178.96 3iox h ASN 442 N 0.99 0.68 -0.31 7.04 2.35 -0.85 0.08 115.58 125.56 3iox h ASN 442 Ca 0.22 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3iox h ASN 442 Cb 0.28 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3iox h ASN 442 CO -0.01 0.77 0.17 0.00 -1.65 0.00 0.00 177.43 176.71 3iox h ALA 443 N 0.94 0.38 -0.58 -0.83 0.00 -0.91 0.54 119.26 118.80 3iox h ALA 443 Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3iox h ALA 443 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3iox h ALA 443 CO 0.01 -0.20 0.20 -0.44 0.00 0.00 0.00 179.25 178.82 3iox h ASP 444 N 0.36 0.83 -0.33 0.00 3.32 -1.08 -0.20 116.42 119.31 3iox h ASP 444 Ca 0.12 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3iox h ASP 444 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3iox h ASP 444 CO -0.07 0.80 0.14 0.00 -1.72 0.00 0.00 179.24 178.39 3iox h ALA 445 N 1.06 0.38 -0.59 3.45 0.00 -0.53 0.13 119.26 123.16 3iox h ALA 445 Ca 0.19 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3iox h ALA 445 Cb 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3iox h ALA 445 CO -0.01 -0.25 0.26 -0.22 0.00 0.00 0.00 179.25 179.03 3iox h LYS 446 N 0.29 0.87 -0.36 0.00 3.64 -0.62 -1.36 116.57 119.03 3iox h LYS 446 Ca 0.14 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3iox h LYS 446 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3iox h LYS 446 CO -0.12 0.72 0.11 0.00 -2.27 0.00 0.00 179.45 177.89 3iox h ALA 447 N 1.10 0.48 -0.62 5.00 0.00 -0.53 -1.59 119.26 123.10 3iox h ALA 447 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3iox h ALA 447 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iox h ALA 447 CO -0.02 0.12 0.26 -0.44 0.00 0.00 0.00 179.25 179.17 3iox h ASP 448 N 0.44 0.84 -0.26 0.00 3.32 -0.64 -1.51 116.42 118.61 3iox h ASP 448 Ca 0.12 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3iox h ASP 448 Cb 0.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3iox h ASP 448 CO -0.00 0.77 0.16 0.22 -1.72 0.00 0.00 179.24 178.67 3iox h TYR 449 N 0.86 0.33 -0.48 4.55 3.20 -1.11 -0.93 116.97 123.38 3iox h TYR 449 Ca 0.21 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3iox h TYR 449 Cb 0.18 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3iox h TYR 449 CO 0.01 0.23 0.05 0.93 -1.64 0.00 0.00 178.16 177.73 3iox h GLU 450 N 0.34 0.76 -0.60 1.82 5.08 -1.14 -0.39 114.58 120.46 3iox h GLU 450 Ca 0.09 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3iox h GLU 450 Cb -0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3iox h GLU 450 CO -0.02 0.74 0.19 0.00 -1.00 0.00 0.00 179.01 178.92 3iox h ALA 451 N 1.33 1.20 -0.26 3.43 0.00 -0.84 -2.08 119.26 122.04 3iox h ALA 451 Ca 0.15 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3iox h ALA 451 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iox h ALA 451 CO 0.01 0.56 -0.52 0.87 0.00 0.00 0.00 179.25 180.17 3iox h LYS 452 N 0.87 0.81 -0.17 0.00 1.57 -0.55 -3.04 116.57 116.07 3iox h LYS 452 Ca 0.20 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3iox h LYS 452 Cb 0.25 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3iox h LYS 452 CO -0.01 1.15 0.04 -0.07 -0.57 0.00 0.00 179.45 179.99 3iox h LEU 453 N 0.57 0.21 -0.33 2.94 3.38 -0.80 0.64 115.31 121.91 3iox h LEU 453 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3iox h LEU 453 Cb 1.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3iox h LEU 453 CO 0.12 0.22 0.04 0.00 0.09 0.00 0.00 178.44 178.91 3iox h ALA 454 N 1.81 0.44 -0.34 1.53 0.00 -1.27 0.36 119.26 121.79 3iox h ALA 454 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3iox h ALA 454 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iox h ALA 454 CO -0.00 0.16 -0.27 0.87 0.00 0.00 0.00 179.25 180.00 3iox h LYS 455 N 0.39 0.78 -0.43 0.00 1.57 -1.33 -2.92 116.57 114.63 3iox h LYS 455 Ca 0.10 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 3iox h LYS 455 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3iox h LYS 455 CO 0.01 1.02 0.18 -0.92 -0.57 0.00 0.00 179.45 179.16 3iox h TYR 456 N 0.56 0.65 -0.75 -1.35 3.20 -0.75 -1.16 116.97 117.35 3iox h TYR 456 Ca 0.06 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.98 3iox h TYR 456 Cb 0.84 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 3iox h TYR 456 CO 0.07 0.55 0.40 0.37 -1.64 0.00 0.00 178.16 177.91 3iox h GLN 457 N 0.55 0.65 -0.32 1.82 4.15 -0.26 0.50 115.11 122.19 3iox h GLN 457 Ca 0.14 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3iox h GLN 457 Cb 0.17 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3iox h GLN 457 CO -0.01 0.43 -0.03 0.00 -1.93 0.00 0.00 178.83 177.29 3iox h ALA 458 N 1.44 0.43 -0.73 3.38 0.00 -1.30 -1.65 119.26 120.83 3iox h ALA 458 Ca 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3iox h ALA 458 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3iox h ALA 458 CO -0.26 0.22 0.29 -0.44 0.00 0.00 0.00 179.25 179.06 3iox h ASP 459 N 0.37 1.01 -0.39 0.00 3.32 -0.22 -2.23 116.42 118.28 3iox h ASP 459 Ca 0.09 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3iox h ASP 459 Cb 0.49 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3iox h ASP 459 CO 0.02 0.91 -0.02 0.25 -1.72 0.00 0.00 179.24 178.67 3iox h LEU 460 N 1.05 0.70 -1.05 1.55 5.85 0.05 -0.61 115.31 122.85 3iox h LEU 460 Ca 0.24 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3iox h LEU 460 Cb 0.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3iox h LEU 460 CO -0.02 0.86 0.64 0.00 -0.34 0.00 0.00 178.44 179.58 3iox h ALA 461 N 0.87 1.32 -0.44 1.25 0.00 -1.17 -0.48 119.26 120.61 3iox h ALA 461 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3iox h ALA 461 Cb 0.51 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iox h ALA 461 CO 0.02 0.62 -0.12 -0.22 0.00 0.00 0.00 179.25 179.56 3iox h LYS 462 N 1.30 0.85 0.19 0.00 3.64 -1.15 -2.24 116.57 119.16 3iox h LYS 462 Ca 0.36 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3iox h LYS 462 Cb -0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3iox h LYS 462 CO -0.09 0.97 -0.14 -0.92 -2.27 0.00 0.00 179.45 177.00 3iox h TYR 463 N 0.68 -0.36 0.00 1.91 3.20 -0.35 -0.75 116.97 121.29 3iox h TYR 463 Ca 0.11 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3iox h TYR 463 Cb 0.66 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3iox h TYR 463 CO 0.05 -0.22 -0.09 1.96 -1.64 0.00 0.00 178.16 178.22 3iox h GLN 464 N -0.34 0.00 0.02 1.82 4.20 -1.09 0.16 115.11 119.88 3iox h GLN 464 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3iox h GLN 464 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3iox h GLN 464 CO -0.00 0.09 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.02 3iox h LYS 465 N 0.00 -0.03 -0.64 1.46 1.63 -1.01 -2.31 116.57 115.67 3iox h LYS 465 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3iox h LYS 465 Cb 0.17 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 3iox h LYS 465 CO 0.01 0.55 0.39 -0.44 -3.45 0.00 0.00 179.45 176.51 3iox h ASP 466 N -0.62 0.76 -0.61 4.20 3.32 -0.79 -1.22 116.42 121.46 3iox h ASP 466 Ca -0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3iox h ASP 466 Cb 0.59 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3iox h ASP 466 CO 0.00 0.58 0.24 0.25 -1.72 0.00 0.00 179.24 178.60 3iox h LEU 467 N 0.88 0.84 -0.97 1.55 5.85 -0.96 -0.53 115.31 121.97 3iox h LEU 467 Ca 0.23 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3iox h LEU 467 Cb -0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3iox h LEU 467 CO -0.04 0.79 -0.40 0.00 -0.34 0.00 0.00 178.44 178.44 3iox h ALA 468 N 1.09 1.14 0.00 1.25 0.00 -0.79 -3.09 119.26 118.86 3iox h ALA 468 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iox h ALA 468 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iox h ALA 468 CO -0.02 0.58 -0.24 -0.44 0.00 0.00 0.00 179.25 179.13 3iox h ASP 469 N 0.19 0.00 -0.62 0.00 3.32 -0.85 -3.39 116.42 115.08 3iox h ASP 469 Ca 0.02 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3iox h ASP 469 Cb 0.79 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.23 3iox h ASP 469 CO 0.06 0.00 -0.39 0.22 -1.72 0.00 0.00 179.24 177.41 3iox h TYR 470 N 0.00 -1.12 -0.90 4.55 3.20 -1.02 -1.11 116.97 120.58 3iox h TYR 470 Ca 0.00 0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.04 3iox h TYR 470 Cb 0.99 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 39.77 3iox h TYR 470 CO 0.00 -0.40 0.58 -1.35 -1.64 0.00 0.00 178.16 175.35 3iox h PRO 471 N -0.18 0.89 -0.40 1.82 0.11 -1.79 0.83 132.00 133.28 3iox h PRO 471 Ca 0.21 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3iox h PRO 471 Cb 0.56 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3iox h PRO 471 CO -0.71 0.59 0.08 0.28 -0.21 0.00 0.00 178.00 178.03 3iox h VAL 472 N 0.92 1.24 -0.49 3.15 2.07 -1.50 -1.44 116.25 120.20 3iox h VAL 472 Ca 0.42 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 3iox h VAL 472 Cb 0.38 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3iox h VAL 472 CO -0.18 0.29 -0.06 0.11 0.02 0.00 0.00 177.57 177.75 3iox h LYS 473 N 0.52 0.86 -0.35 1.57 1.57 -0.58 -2.40 116.57 117.75 3iox h LYS 473 Ca 0.12 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3iox h LYS 473 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3iox h LYS 473 CO 0.01 0.90 0.07 1.25 -0.57 0.00 0.00 179.45 181.11 3iox h LEU 474 N 0.78 0.54 -0.38 2.94 5.85 -0.61 -1.58 115.31 122.85 3iox h LEU 474 Ca 0.14 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3iox h LEU 474 Cb 0.56 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3iox h LEU 474 CO 0.03 0.64 0.22 0.50 -0.34 0.00 0.00 178.44 179.49 3iox h LYS 475 N 0.41 0.52 -0.54 1.25 3.64 -1.19 0.65 116.57 121.31 3iox h LYS 475 Ca 0.11 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3iox h LYS 475 Cb 0.32 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 3iox h LYS 475 CO 0.00 0.41 0.24 0.00 -2.27 0.00 0.00 179.45 177.84 3iox h ALA 476 N 1.08 0.70 0.65 5.00 0.00 -1.28 0.33 119.26 125.74 3iox h ALA 476 Ca 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3iox h ALA 476 Cb 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iox h ALA 476 CO -0.02 -0.13 -0.31 -0.92 0.00 0.00 0.00 179.25 177.86 3iox h TYR 477 N 0.46 -0.81 -0.89 0.00 3.20 -0.85 -1.36 116.97 116.72 3iox h TYR 477 Ca 0.25 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.20 3iox h TYR 477 Cb 0.23 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.69 3iox h TYR 477 CO -0.13 -0.49 0.54 0.93 -1.64 0.00 0.00 178.16 177.37 3iox h GLU 478 N -0.94 0.87 -0.41 1.82 4.39 -0.56 0.45 114.58 120.20 3iox h GLU 478 Ca -0.09 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 3iox h GLU 478 Cb 0.69 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3iox h GLU 478 CO 0.15 0.58 -0.09 -0.44 -1.16 0.00 0.00 179.01 178.04 3iox h ASP 479 N 0.90 0.69 0.16 1.42 5.19 -0.23 -1.98 116.42 122.58 3iox h ASP 479 Ca 0.43 -0.19 -0.24 0.00 -0.62 0.00 0.00 57.03 56.41 3iox h ASP 479 Cb 0.36 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.69 3iox h ASP 479 CO -0.24 0.82 -0.95 -0.08 -3.12 0.00 0.00 179.24 175.68 3iox h GLU 480 N 0.65 0.55 -0.82 3.56 4.81 -0.39 -2.69 114.58 120.24 3iox h GLU 480 Ca 0.12 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 3iox h GLU 480 Cb 0.54 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 3iox h GLU 480 CO 0.03 1.19 0.54 1.96 -0.73 0.00 0.00 179.01 182.00 3iox h GLN 481 N 0.32 1.02 -0.22 1.92 1.08 -0.75 0.15 115.11 118.65 3iox h GLN 481 Ca -0.09 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 3iox h GLN 481 Cb 1.58 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 3iox h GLN 481 CO 0.17 0.68 -0.05 1.15 -0.95 0.00 0.00 178.83 179.83 3iox h THR 482 N 1.05 1.29 -0.19 -0.54 2.02 -1.34 -1.92 112.91 113.28 3iox h THR 482 Ca 0.32 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3iox h THR 482 Cb -0.02 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3iox h THR 482 CO -0.09 0.32 0.12 -1.28 0.37 0.00 0.00 175.52 174.96 3iox h SER 483 N 0.15 0.21 -0.82 4.18 0.87 -1.04 -1.48 113.55 115.62 3iox h SER 483 Ca 0.05 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3iox h SER 483 Cb 0.51 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 3iox h SER 483 CO 0.02 0.15 0.43 0.40 -0.53 0.00 0.00 176.83 177.30 3iox h ILE 484 N 0.25 1.25 -0.14 2.23 2.04 -0.70 0.58 117.51 123.01 3iox h ILE 484 Ca 0.07 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 3iox h ILE 484 Cb -0.03 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3iox h ILE 484 CO -0.02 0.28 -0.29 0.11 0.00 0.00 0.00 178.15 178.23 3iox h LYS 485 N 1.15 0.26 -0.11 2.37 1.57 -1.12 0.27 116.57 120.96 3iox h LYS 485 Ca 0.29 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 3iox h LYS 485 Cb 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3iox h LYS 485 CO -0.04 0.53 -0.72 0.00 -0.57 0.00 0.00 179.45 178.65 3iox h ALA 486 N 1.47 0.54 -0.55 3.86 0.00 -0.71 -2.37 119.26 121.50 3iox h ALA 486 Ca 0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 3iox h ALA 486 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3iox h ALA 486 CO 0.05 0.74 -0.01 0.00 0.00 0.00 0.00 179.25 180.03 3iox h ALA 487 N 0.86 0.74 -0.11 0.00 0.00 -0.33 -2.63 119.26 117.78 3iox h ALA 487 Ca -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3iox h ALA 487 Cb 1.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3iox h ALA 487 CO 0.13 0.57 -0.34 -0.07 0.00 0.00 0.00 179.25 179.54 3iox h LEU 488 N 0.85 0.22 -0.78 0.00 3.38 -0.91 -1.97 115.31 116.09 3iox h LEU 488 Ca 0.15 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3iox h LEU 488 Cb 0.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3iox h LEU 488 CO 0.03 0.55 0.17 0.00 0.09 0.00 0.00 178.44 179.29 3iox h ALA 489 N 1.46 1.00 -0.15 1.53 0.00 -1.12 -1.45 119.26 120.54 3iox h ALA 489 Ca 0.02 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 3iox h ALA 489 Cb 0.70 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iox h ALA 489 CO 0.05 0.65 -0.63 1.49 0.00 0.00 0.00 179.25 180.81 3iox h GLU 490 N 1.04 0.53 -0.33 0.00 4.57 -1.21 -3.12 114.58 116.06 3iox h GLU 490 Ca 0.22 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 3iox h GLU 490 Cb 0.35 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3iox h GLU 490 CO 0.00 0.99 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.67 3iox h LEU 491 N 0.39 0.53 -1.99 1.64 3.38 -1.01 -2.73 115.31 115.51 3iox h LEU 491 Ca -0.01 -0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.09 3iox h LEU 491 Cb 1.20 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 3iox h LEU 491 CO 0.12 0.65 0.64 -0.08 0.09 0.00 0.00 178.44 179.86 3iox h GLU 492 N 0.51 0.00 -0.01 1.13 4.57 -1.20 0.33 114.58 119.91 3iox h GLU 492 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3iox h GLU 492 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3iox h GLU 492 CO 0.02 0.00 -0.10 1.63 -1.18 0.00 0.00 179.01 179.38 3iox n LYS 493 N -4.24 0.98 -0.03 1.92 5.02 -1.03 -3.80 118.16 116.98 3iox n LYS 493 Ca 0.18 -0.42 0.01 0.00 -2.02 0.00 0.00 58.31 56.06 3iox n LYS 493 Cb 0.96 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.49 3iox n LYS 493 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3iox n HIS 494 N -0.64 0.00 0.30 2.13 8.25 0.11 -4.84 115.22 120.53 3iox n HIS 494 Ca 0.16 -0.34 0.19 0.00 -0.26 0.00 0.00 57.72 57.46 3iox n HIS 494 Cb 0.29 -0.04 0.99 0.00 1.12 0.00 0.00 29.99 32.35 3iox n HIS 494 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3iox h LYS 495 N 0.00 0.00 -0.48 -0.41 2.10 -1.42 -1.53 116.57 114.83 3iox h LYS 495 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3iox h LYS 495 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 3iox h LYS 495 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3iox n ASN 496 N -2.85 3.37 -4.89 7.07 3.02 -1.26 -4.09 115.26 115.64 3iox n ASN 496 Ca -0.02 -1.96 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 3iox n ASN 496 Cb 0.14 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 3iox n ASN 496 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3iox s GLU 497 N -1.10 3.72 0.24 3.52 2.02 -0.58 -4.86 118.70 121.67 3iox s GLU 497 Ca 0.36 0.15 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 3iox s GLU 497 Cb 0.19 -2.66 -0.15 0.00 0.10 0.00 0.00 34.13 31.62 3iox s GLU 497 CO 0.26 0.28 1.00 -0.25 0.02 0.00 0.00 175.26 176.57 3iox n ASP 498 N -0.44 1.00 0.00 -0.19 8.00 -1.26 -2.02 116.55 121.65 3iox n ASP 498 Ca -0.00 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.66 3iox n ASP 498 Cb 0.53 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 3iox n ASP 498 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iox n GLY 499 N 1.54 2.51 3.83 0.44 0.00 0.25 -4.93 105.19 108.83 3iox n GLY 499 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3iox n GLY 499 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iox s ASN 500 N -3.72 6.75 0.15 1.61 0.01 -0.85 -0.16 114.94 118.71 3iox s ASN 500 Ca 0.00 0.89 -0.31 0.00 -0.71 0.00 0.00 52.86 52.72 3iox s ASN 500 Cb 0.00 -2.23 -0.10 0.00 0.41 0.00 0.00 41.25 39.33 3iox s ASN 500 CO 0.00 0.31 1.60 -0.76 -1.51 0.00 0.00 177.10 176.74 3iox s LEU 501 N -0.93 4.37 0.57 0.60 1.43 -1.26 -0.53 118.68 122.93 3iox s LEU 501 Ca 0.23 2.60 0.27 0.00 -1.03 0.00 0.00 54.13 56.20 3iox s LEU 501 Cb -0.16 -3.59 1.61 0.00 0.03 0.00 0.00 46.19 44.09 3iox s LEU 501 CO 0.12 -0.85 2.13 0.71 0.23 0.00 0.00 176.35 178.69 3iox h THR 502 N 4.18 0.58 -3.55 5.49 1.35 -1.38 -3.27 112.91 116.31 3iox h THR 502 Ca -0.43 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.76 3iox h THR 502 Cb 1.20 0.88 -0.38 0.00 -1.73 0.00 0.00 68.15 68.12 3iox h THR 502 CO 0.92 0.00 -0.60 -1.61 -0.25 0.00 0.00 175.52 173.97 3iox s GLU 503 N -4.73 1.88 -0.03 4.72 2.02 -1.26 -4.91 118.70 116.39 3iox s GLU 503 Ca -0.05 -2.13 -0.38 0.00 0.02 0.00 0.00 54.97 52.42 3iox s GLU 503 Cb 0.16 -3.40 -0.17 0.00 0.10 0.00 0.00 34.13 30.81 3iox s GLU 503 CO 0.58 -1.05 1.39 -2.30 0.02 0.00 0.00 175.26 173.91 3iox n PRO 504 N 3.96 0.90 -3.60 0.39 -0.02 -1.24 -4.94 135.00 130.46 3iox n PRO 504 Ca 0.03 0.33 -0.16 0.00 -2.02 0.00 0.00 63.50 61.68 3iox n PRO 504 Cb 0.39 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3iox n PRO 504 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iox s SER 505 N 1.16 -0.63 0.33 2.55 0.15 -1.26 -5.08 113.70 110.93 3iox s SER 505 Ca 0.89 0.91 -0.12 0.00 0.70 0.00 0.00 55.95 58.34 3iox s SER 505 Cb -1.06 0.85 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 3iox s SER 505 CO 0.54 -0.44 0.70 0.00 1.20 0.00 0.00 173.24 175.25 3iox s ALA 506 N -0.56 3.40 -0.57 5.45 0.00 -1.26 -4.56 121.76 123.65 3iox s ALA 506 Ca -0.07 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 3iox s ALA 506 Cb -0.02 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.53 3iox s ALA 506 CO 0.06 0.23 0.71 -1.14 0.00 0.00 0.00 175.76 175.62 3iox s GLN 507 N -3.31 3.08 0.27 0.00 2.00 0.37 -4.82 119.66 117.25 3iox s GLN 507 Ca 0.51 -1.11 0.26 0.00 -2.00 0.00 0.00 55.36 53.02 3iox s GLN 507 Cb -0.10 -4.21 0.79 0.00 0.80 0.00 0.00 33.01 30.29 3iox s GLN 507 CO 0.24 -1.47 1.75 -2.95 -0.50 0.00 0.00 175.29 172.36 3iox h ASN 508 N 9.17 0.00 -3.34 6.67 -1.07 -1.89 -2.79 115.58 122.33 3iox h ASN 508 Ca -0.29 0.00 -0.73 0.00 0.07 0.00 0.00 56.30 55.35 3iox h ASN 508 Cb 1.09 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 37.08 3iox h ASN 508 CO 1.07 0.00 -0.38 -0.22 0.07 0.00 0.00 177.43 177.97 3iox s LEU 509 N -4.85 5.50 -0.50 6.14 2.96 -1.26 -0.44 118.68 126.23 3iox s LEU 509 Ca 0.09 -1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 52.29 3iox s LEU 509 Cb 0.11 -2.08 0.06 0.00 0.50 0.00 0.00 46.19 44.77 3iox s LEU 509 CO 0.58 -0.63 0.60 -0.69 -1.32 0.00 0.00 176.35 174.88 3iox s VAL 510 N 1.51 4.91 -0.49 1.68 1.01 0.60 -4.66 120.40 124.96 3iox s VAL 510 Ca 0.04 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3iox s VAL 510 Cb -0.25 -4.27 0.19 0.00 0.00 0.00 0.00 36.38 32.05 3iox s VAL 510 CO 0.03 -0.76 0.64 0.00 0.00 0.00 0.00 175.10 175.02 3iox n TYR 511 N 6.06 -3.17 -0.01 5.22 9.36 -1.26 -0.80 117.16 132.56 3iox n TYR 511 Ca -0.07 -1.82 -0.01 0.00 3.32 0.00 0.00 57.90 59.32 3iox n TYR 511 Cb 0.45 1.21 -0.02 0.00 -0.63 0.00 0.00 39.34 40.35 3iox n TYR 511 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3iox n ASP 512 N 2.89 4.26 -3.66 2.98 8.00 -1.26 -0.34 116.55 129.42 3iox n ASP 512 Ca 0.21 -0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.63 3iox n ASP 512 Cb 0.54 0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 42.04 3iox n ASP 512 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3iox s LEU 513 N -4.34 -0.74 -0.40 0.64 2.96 -1.26 -4.88 118.68 110.66 3iox s LEU 513 Ca -0.02 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.30 3iox s LEU 513 Cb 0.01 1.99 0.28 0.00 0.50 0.00 0.00 46.19 48.98 3iox s LEU 513 CO 0.10 -0.22 0.61 -0.62 -1.32 0.00 0.00 176.35 174.90 3iox n GLU 514 N 4.64 0.96 0.20 1.98 -0.58 -1.26 -4.63 120.64 121.96 3iox n GLU 514 Ca -0.18 -3.39 0.14 0.00 -0.42 0.00 0.00 57.16 53.31 3iox n GLU 514 Cb 0.55 -1.45 0.76 0.00 -0.57 0.00 0.00 31.44 30.72 3iox n GLU 514 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3iox h PRO 515 N 3.67 0.00 -0.66 3.49 0.11 -1.96 -2.71 132.00 133.94 3iox h PRO 515 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3iox h PRO 515 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3iox h PRO 515 CO 0.50 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 3iox n ASN 516 N -4.17 4.83 -4.77 -2.05 3.02 -1.26 -4.79 115.26 106.06 3iox n ASN 516 Ca 0.01 -2.46 -0.34 0.00 -0.03 0.00 0.00 54.58 51.76 3iox n ASN 516 Cb 0.25 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3iox n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iox s ALA 517 N -1.88 2.59 -0.14 5.41 0.00 -1.02 -4.82 121.76 121.89 3iox s ALA 517 Ca 0.52 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 3iox s ALA 517 Cb 0.33 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3iox s ALA 517 CO 0.25 -1.02 0.05 1.21 0.00 0.00 0.00 175.76 176.25 3iox s ASN 518 N -2.19 5.55 -0.16 0.00 2.47 0.38 -4.70 114.94 116.28 3iox s ASN 518 Ca 0.70 0.14 -0.03 0.00 0.42 0.00 0.00 52.86 54.09 3iox s ASN 518 Cb -0.22 -1.81 -0.02 0.00 -1.45 0.00 0.00 41.25 37.75 3iox s ASN 518 CO 0.34 0.28 -0.06 -0.22 -3.72 0.00 0.00 177.10 173.72 3iox s LEU 519 N -0.26 3.05 -0.06 3.21 2.96 -1.26 -1.17 118.68 125.14 3iox s LEU 519 Ca 0.08 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3iox s LEU 519 Cb -0.12 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3iox s LEU 519 CO 0.02 0.14 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.46 3iox s SER 520 N 0.50 2.37 0.07 3.68 0.15 -0.68 -4.98 113.70 114.81 3iox s SER 520 Ca -0.05 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.26 3iox s SER 520 Cb -0.15 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 3iox s SER 520 CO 0.03 0.13 -0.19 -0.76 1.20 0.00 0.00 173.24 173.66 3iox s LEU 521 N 0.26 2.23 0.12 3.45 1.43 -1.26 -0.81 118.68 124.09 3iox s LEU 521 Ca -0.10 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3iox s LEU 521 Cb -0.14 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3iox s LEU 521 CO 0.04 0.07 -0.11 0.42 0.23 0.00 0.00 176.35 177.01 3iox s THR 522 N -0.99 1.07 0.09 5.49 -4.23 -0.98 -4.82 115.64 111.27 3iox s THR 522 Ca 0.05 -1.78 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 3iox s THR 522 Cb -0.09 -1.54 0.07 0.00 1.34 0.00 0.00 72.50 72.29 3iox s THR 522 CO 0.03 -0.59 0.65 0.28 -0.54 0.00 0.00 174.62 174.45 3iox s THR 523 N -2.66 0.00 -1.58 3.99 -1.32 -1.26 -0.93 115.64 111.88 3iox s THR 523 Ca 0.09 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.75 3iox s THR 523 Cb -0.02 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.43 3iox s THR 523 CO 0.01 0.00 1.37 -0.90 -2.21 0.00 0.00 174.62 172.89 3iox n ASP 524 N -0.06 3.37 0.00 8.08 5.75 -1.04 -4.89 116.55 127.77 3iox n ASP 524 Ca -0.16 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 3iox n ASP 524 Cb 0.63 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3iox n ASP 524 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iox n GLY 525 N 1.12 2.10 3.14 6.12 0.00 -1.26 -4.90 105.19 111.51 3iox n GLY 525 Ca 0.18 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 3iox n GLY 525 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iox s LYS 526 N 4.72 1.89 0.29 1.61 -0.14 -0.76 -4.97 119.74 122.38 3iox s LYS 526 Ca 0.00 -0.63 -0.28 0.00 -1.36 0.00 0.00 55.97 53.70 3iox s LYS 526 Cb 0.00 -1.62 -0.09 0.00 -1.68 0.00 0.00 37.83 34.44 3iox s LYS 526 CO 0.00 0.24 0.97 -0.06 -0.76 0.00 0.00 175.35 175.74 3iox s PHE 527 N 0.08 3.77 -0.10 3.18 2.99 -1.26 -0.43 117.98 126.20 3iox s PHE 527 Ca -0.05 1.82 -0.02 0.00 0.00 0.00 0.00 56.93 58.68 3iox s PHE 527 Cb -0.12 -3.02 -0.03 0.00 0.00 0.00 0.00 43.02 39.85 3iox s PHE 527 CO 0.03 0.14 -0.02 -0.51 -0.00 0.00 0.00 175.22 174.86 3iox s LEU 528 N -1.64 3.44 0.37 -0.37 1.43 -0.44 -0.68 118.68 120.79 3iox s LEU 528 Ca 0.46 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 3iox s LEU 528 Cb -0.24 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 3iox s LEU 528 CO 0.30 0.32 1.33 -0.54 0.23 0.00 0.00 176.35 177.99 3iox s LYS 529 N -0.54 4.15 0.31 1.70 1.02 0.23 -4.46 119.74 122.16 3iox s LYS 529 Ca 0.09 2.23 -0.00 0.00 0.02 0.00 0.00 55.97 58.31 3iox s LYS 529 Cb -0.12 -2.92 0.50 0.00 -0.52 0.00 0.00 37.83 34.77 3iox s LYS 529 CO 0.02 -0.36 1.94 0.00 -0.92 0.00 0.00 175.35 176.03 3iox h ALA 530 N 3.02 1.40 -0.26 5.17 0.00 -1.88 -1.08 119.26 125.63 3iox h ALA 530 Ca -0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3iox h ALA 530 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3iox h ALA 530 CO 0.64 0.50 0.01 0.66 0.00 0.00 0.00 179.25 181.06 3iox h SER 531 N 0.92 0.36 -0.03 0.00 4.64 -1.94 0.77 113.55 118.26 3iox h SER 531 Ca 0.24 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 3iox h SER 531 Cb 0.01 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3iox h SER 531 CO -0.04 0.41 -0.72 0.00 -0.87 0.00 0.00 176.83 175.61 3iox h ALA 532 N 1.64 0.44 -0.39 5.18 0.00 -1.57 -1.38 119.26 123.18 3iox h ALA 532 Ca 0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3iox h ALA 532 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iox h ALA 532 CO 0.00 0.71 0.04 0.28 0.00 0.00 0.00 179.25 180.28 3iox h VAL 533 N 0.47 1.25 -0.41 0.00 2.07 -0.64 -1.10 116.25 117.88 3iox h VAL 533 Ca -0.03 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3iox h VAL 533 Cb 1.33 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3iox h VAL 533 CO 0.14 0.31 0.25 -0.78 0.02 0.00 0.00 177.57 177.51 3iox h ASP 534 N 0.50 0.41 -0.82 0.57 3.58 -0.82 -1.67 116.42 118.17 3iox h ASP 534 Ca 0.11 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 3iox h ASP 534 Cb 0.41 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 3iox h ASP 534 CO 0.01 0.30 0.49 0.44 -2.88 0.00 0.00 179.24 177.60 3iox h ASP 535 N 0.51 0.98 -0.61 2.28 3.32 -1.03 -2.01 116.42 119.87 3iox h ASP 535 Ca 0.16 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3iox h ASP 535 Cb -0.01 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3iox h ASP 535 CO -0.06 0.76 0.21 0.00 -1.72 0.00 0.00 179.24 178.42 3iox h ALA 536 N 1.26 1.16 -0.22 3.45 0.00 -0.78 -2.51 119.26 121.62 3iox h ALA 536 Ca 0.29 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3iox h ALA 536 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3iox h ALA 536 CO -0.05 0.59 -0.32 0.74 0.00 0.00 0.00 179.25 180.21 3iox h PHE 537 N 0.94 0.52 0.00 0.00 0.04 -0.89 -2.88 116.94 114.67 3iox h PHE 537 Ca 0.21 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.86 3iox h PHE 537 Cb 0.26 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3iox h PHE 537 CO 0.02 0.72 0.00 -1.13 -0.60 0.00 0.00 178.31 177.32 3iox n SER 538 N -4.08 0.00 -4.60 2.17 3.41 -0.79 -3.18 113.62 106.54 3iox n SER 538 Ca -0.01 -0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.16 3iox n SER 538 Cb 0.44 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3iox n SER 538 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3iox s LYS 539 N -2.51 1.97 4.17 4.33 1.02 -1.09 -4.58 119.74 123.06 3iox s LYS 539 Ca 0.26 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 54.09 3iox s LYS 539 Cb 0.17 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.04 3iox s LYS 539 CO 0.37 -0.17 0.00 0.45 -0.92 0.00 0.00 175.35 175.08 3iox n SER 540 N -1.02 0.00 0.30 2.83 2.88 -1.26 -3.09 113.62 114.26 3iox n SER 540 Ca -0.08 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.65 3iox n SER 540 Cb 0.67 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 65.09 3iox n SER 540 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3iox h THR 541 N 0.00 0.15 -0.03 2.46 1.35 -1.92 -2.77 112.91 112.16 3iox h THR 541 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3iox h THR 541 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3iox h THR 541 CO 0.00 0.02 -0.12 -1.54 -0.25 0.00 0.00 175.52 173.63 3iox n SER 542 N -3.24 2.75 -0.11 5.36 3.41 -1.14 -4.55 113.62 116.10 3iox n SER 542 Ca -0.02 -1.87 -0.07 0.00 -0.26 0.00 0.00 58.87 56.65 3iox n SER 542 Cb 0.17 0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 3iox n SER 542 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3iox h LYS 543 N 4.12 0.31 -0.63 4.33 3.64 -1.42 -0.95 116.57 125.98 3iox h LYS 543 Ca 0.00 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3iox h LYS 543 Cb 0.94 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.61 3iox h LYS 543 CO 0.00 0.21 0.25 0.00 -2.27 0.00 0.00 179.45 177.63 3iox h ALA 544 N 1.21 0.82 -0.22 5.00 0.00 -1.80 0.06 119.26 124.33 3iox h ALA 544 Ca 0.16 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3iox h ALA 544 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iox h ALA 544 CO -0.14 -0.17 -0.50 0.87 0.00 0.00 0.00 179.25 179.31 3iox h LYS 545 N 0.44 0.73 -0.73 0.00 1.79 -1.81 -3.17 116.57 113.82 3iox h LYS 545 Ca 0.32 -0.49 0.08 0.00 -2.18 0.00 0.00 60.65 58.38 3iox h LYS 545 Cb 0.38 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 3iox h LYS 545 CO -0.30 1.11 0.39 -0.92 -1.08 0.00 0.00 179.45 178.65 3iox h TYR 546 N 0.45 0.72 0.00 -1.35 3.20 -0.50 0.15 116.97 119.64 3iox h TYR 546 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3iox h TYR 546 Cb 1.11 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3iox h TYR 546 CO 0.09 0.30 0.00 -0.25 -1.64 0.00 0.00 178.16 176.66 3iox n ASP 547 N -4.80 0.08 -1.31 -2.11 8.00 -0.05 -1.27 116.55 115.09 3iox n ASP 547 Ca 0.11 0.52 0.08 0.00 0.71 0.00 0.00 54.79 56.21 3iox n ASP 547 Cb 0.24 -0.54 0.32 0.00 -0.02 0.00 0.00 41.12 41.11 3iox n ASP 547 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iox n GLN 548 N -1.60 3.71 -3.49 -1.24 6.02 0.43 -4.94 117.38 116.28 3iox n GLN 548 Ca 0.03 -2.90 -0.21 0.00 -0.01 0.00 0.00 57.00 53.90 3iox n GLN 548 Cb 0.15 -1.95 0.07 0.00 1.02 0.00 0.00 30.24 29.53 3iox n GLN 548 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3iox n LYS 549 N 0.20 -7.19 -4.51 -1.09 5.02 -0.40 -4.96 118.16 105.23 3iox n LYS 549 Ca 0.23 0.75 -0.23 0.00 -2.02 0.00 0.00 58.31 57.05 3iox n LYS 549 Cb 0.96 -5.57 -0.16 0.00 -0.02 0.00 0.00 35.03 30.24 3iox n LYS 549 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iox s ILE 550 N -3.29 1.00 -0.50 -0.18 1.01 -0.57 -1.97 121.20 116.70 3iox s ILE 550 Ca 0.51 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 3iox s ILE 550 Cb -0.22 -0.91 0.10 0.00 0.01 0.00 0.00 42.46 41.44 3iox s ILE 550 CO 0.66 0.32 0.43 -0.76 0.00 0.00 0.00 174.94 175.59 3iox s LEU 551 N 0.52 5.87 -0.85 2.97 1.43 0.34 -2.52 118.68 126.45 3iox s LEU 551 Ca -0.10 -1.60 -0.16 0.00 -1.03 0.00 0.00 54.13 51.23 3iox s LEU 551 Cb -0.14 -2.17 0.18 0.00 0.03 0.00 0.00 46.19 44.09 3iox s LEU 551 CO 0.02 -0.74 0.90 -1.58 0.23 0.00 0.00 176.35 175.18 3iox s GLN 552 N 1.59 3.57 0.32 1.70 2.00 -1.26 -2.34 119.66 125.24 3iox s GLN 552 Ca 0.04 -2.13 0.02 0.00 -2.00 0.00 0.00 55.36 51.29 3iox s GLN 552 Cb -0.27 -4.61 0.59 0.00 0.80 0.00 0.00 33.01 29.52 3iox s GLN 552 CO 0.04 -1.49 1.92 -0.07 -0.50 0.00 0.00 175.29 175.19 3iox h LEU 553 N 8.92 0.84 0.00 3.68 4.07 -1.96 -1.90 115.31 128.96 3iox h LEU 553 Ca 0.10 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3iox h LEU 553 Cb 1.04 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.61 3iox h LEU 553 CO 0.91 0.53 0.00 -0.90 -1.08 0.00 0.00 178.44 177.90 3iox n ASP 554 N -4.49 0.00 -0.38 -0.43 5.75 -1.26 -2.33 116.55 113.41 3iox n ASP 554 Ca 0.13 -0.41 0.07 0.00 -0.01 0.00 0.00 54.79 54.57 3iox n ASP 554 Cb 0.21 -0.13 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 3iox n ASP 554 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3iox n ASP 555 N -1.13 1.65 -4.67 -1.12 8.00 -0.72 -4.99 116.55 113.57 3iox n ASP 555 Ca 0.14 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 3iox n ASP 555 Cb 0.13 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 3iox n ASP 555 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3iox s LEU 556 N -1.65 4.33 -0.42 0.64 2.96 -0.99 -2.88 118.68 120.67 3iox s LEU 556 Ca 0.13 2.25 -0.24 0.00 -0.22 0.00 0.00 54.13 56.04 3iox s LEU 556 Cb 0.11 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.28 3iox s LEU 556 CO 0.29 -0.89 0.86 -0.62 -1.32 0.00 0.00 176.35 174.67 3iox s ASP 557 N 2.97 6.52 0.00 3.68 -1.08 -1.26 -4.74 116.67 122.76 3iox s ASP 557 Ca 0.72 0.21 0.24 0.00 -0.52 0.00 0.00 52.55 53.19 3iox s ASP 557 Cb -0.34 -2.43 1.38 0.00 -1.46 0.00 0.00 42.92 40.07 3iox s ASP 557 CO 0.29 -0.92 1.79 2.30 0.52 0.00 0.00 175.17 179.16 3iox n ILE 558 N 6.14 0.06 -0.33 4.11 -5.35 -0.24 -3.38 119.36 120.36 3iox n ILE 558 Ca 0.05 0.01 0.11 0.00 -0.27 0.00 0.00 62.75 62.65 3iox n ILE 558 Cb 0.48 -0.64 0.31 0.00 -1.74 0.00 0.00 39.64 38.06 3iox n ILE 558 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3iox h THR 559 N 0.00 0.82 -0.10 7.28 2.02 -1.89 -0.09 112.91 120.96 3iox h THR 559 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iox h THR 559 Cb 0.04 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3iox h THR 559 CO 0.00 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.63 3iox n ASN 560 N -4.64 1.35 -0.04 4.18 5.03 -1.22 -3.07 115.26 116.85 3iox n ASN 560 Ca 0.20 -2.09 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3iox n ASN 560 Cb 0.47 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.86 3iox n ASN 560 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3iox n LEU 561 N 0.01 1.19 -1.03 3.41 4.77 -0.05 -4.63 117.00 120.68 3iox n LEU 561 Ca 0.04 -1.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.02 3iox n LEU 561 Cb 0.29 -0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.63 3iox n LEU 561 CO 0.04 0.29 0.72 -0.62 -1.33 0.00 0.00 177.39 176.49 3iox n GLU 562 N -0.00 2.34 -2.87 3.23 1.02 -1.18 -4.88 120.64 118.30 3iox n GLU 562 Ca 0.01 -2.02 -0.38 0.00 -0.02 0.00 0.00 57.16 54.74 3iox n GLU 562 Cb 0.05 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 3iox n GLU 562 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3iox s GLN 563 N -1.55 4.58 0.56 3.49 1.11 -1.26 -4.95 119.66 121.65 3iox s GLN 563 Ca 0.37 1.25 0.27 0.00 0.01 0.00 0.00 55.36 57.26 3iox s GLN 563 Cb 0.21 -3.02 1.47 0.00 -1.01 0.00 0.00 33.01 30.67 3iox s GLN 563 CO 0.30 0.42 1.98 0.66 0.01 0.00 0.00 175.29 178.66 3iox h SER 564 N 3.68 0.00 -0.11 5.90 4.64 -2.01 -0.21 113.55 125.44 3iox h SER 564 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3iox h SER 564 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3iox h SER 564 CO 0.66 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.16 3iox n ASN 565 N -4.09 0.64 -0.18 4.97 0.23 -1.26 -3.18 115.26 112.39 3iox n ASN 565 Ca 0.08 -1.92 0.11 0.00 -0.53 0.00 0.00 54.58 52.33 3iox n ASN 565 Cb 0.60 -0.07 0.01 0.00 -2.08 0.00 0.00 39.78 38.24 3iox n ASN 565 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3iox n ASP 566 N -0.19 1.27 -4.73 0.53 8.00 -0.09 -4.95 116.55 116.40 3iox n ASP 566 Ca 0.06 -1.06 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 3iox n ASP 566 Cb 0.11 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 3iox n ASP 566 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iox s VAL 567 N -2.78 4.25 0.26 2.53 1.01 -1.19 -0.60 120.40 123.87 3iox s VAL 567 Ca 0.13 1.79 0.08 0.00 0.00 0.00 0.00 61.98 63.98 3iox s VAL 567 Cb 0.17 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3iox s VAL 567 CO 0.72 0.24 0.09 0.00 0.00 0.00 0.00 175.10 176.14 3iox s ALA 568 N 0.30 3.36 -0.39 5.51 0.00 0.14 -4.73 121.76 125.96 3iox s ALA 568 Ca 0.51 -1.54 0.23 0.00 0.00 0.00 0.00 51.96 51.16 3iox s ALA 568 Cb -0.26 -1.03 0.16 0.00 0.00 0.00 0.00 23.12 22.00 3iox s ALA 568 CO 0.31 0.26 1.22 0.66 0.00 0.00 0.00 175.76 178.22 3iox h SER 569 N 1.72 0.00 -5.27 0.00 4.64 -1.97 -3.37 113.55 109.29 3iox h SER 569 Ca -0.46 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 60.67 3iox h SER 569 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 3iox h SER 569 CO 0.60 0.03 -0.64 -0.44 -0.87 0.00 0.00 176.83 175.51 3iox s SER 570 N -5.17 0.41 0.39 4.97 0.01 -1.26 -5.02 113.70 108.03 3iox s SER 570 Ca 0.03 -1.02 -0.27 0.00 1.31 0.00 0.00 55.95 56.00 3iox s SER 570 Cb 0.10 0.24 -0.10 0.00 0.21 0.00 0.00 66.02 66.47 3iox s SER 570 CO 0.75 -0.64 1.39 -0.32 0.41 0.00 0.00 173.24 174.82 3iox s MET 571 N -3.94 4.04 -0.03 12.44 1.75 -1.26 -4.82 119.30 127.47 3iox s MET 571 Ca 0.11 2.35 0.02 0.00 -1.25 0.00 0.00 55.69 56.92 3iox s MET 571 Cb 0.08 -2.87 0.01 0.00 2.84 0.00 0.00 34.83 34.88 3iox s MET 571 CO -0.07 -0.51 -0.09 -1.21 -0.65 0.00 0.00 175.02 172.49 3iox s GLU 572 N -2.14 1.10 0.20 4.11 2.02 -1.26 -5.08 118.70 117.65 3iox s GLU 572 Ca 0.55 -0.32 -0.15 0.00 0.02 0.00 0.00 54.97 55.07 3iox s GLU 572 Cb -0.42 -1.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.73 3iox s GLU 572 CO 0.56 0.09 0.62 -0.51 0.02 0.00 0.00 175.26 176.03 3iox s LEU 573 N 0.33 4.28 0.04 1.80 1.43 -1.26 -4.01 118.68 121.28 3iox s LEU 573 Ca -0.06 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 3iox s LEU 573 Cb -0.10 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3iox s LEU 573 CO 0.01 0.02 0.03 -0.47 0.23 0.00 0.00 176.35 176.16 3iox s TYR 574 N -1.60 0.32 -5.00 0.29 5.04 -0.46 -4.82 117.35 111.11 3iox s TYR 574 Ca 0.43 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 3iox s TYR 574 Cb -0.14 -0.23 0.00 0.00 0.35 0.00 0.00 41.96 41.94 3iox s TYR 574 CO 0.20 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.49 3iox n GLY 575 N 0.74 -0.94 2.62 8.97 0.00 -1.26 -0.92 105.19 114.40 3iox n GLY 575 Ca -0.19 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3iox n GLY 575 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iox n ASN 576 N 3.00 6.54 -3.85 1.61 6.94 -1.18 -4.71 115.26 123.61 3iox n ASN 576 Ca 0.00 -2.99 -0.15 0.00 -0.02 0.00 0.00 54.58 51.42 3iox n ASN 576 Cb 0.00 -1.48 -0.09 0.00 -2.36 0.00 0.00 39.78 35.85 3iox n ASN 576 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3iox s PHE 577 N 0.57 1.38 0.00 -2.53 -0.12 -1.24 -4.14 117.98 111.91 3iox s PHE 577 Ca 0.51 -1.48 0.00 0.00 -0.05 0.00 0.00 56.93 55.91 3iox s PHE 577 Cb 0.15 -0.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.93 3iox s PHE 577 CO -0.05 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.78 3iox n GLY 578 N -0.41 3.87 0.11 1.99 0.00 -1.26 -0.40 105.19 109.08 3iox n GLY 578 Ca 0.04 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3iox n GLY 578 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iox n ASP 579 N 7.00 0.45 -0.60 1.61 5.75 -1.26 -1.50 116.55 128.00 3iox n ASP 579 Ca 0.00 0.67 0.09 0.00 -0.01 0.00 0.00 54.79 55.54 3iox n ASP 579 Cb 0.00 -0.74 0.22 0.00 -1.03 0.00 0.00 41.12 39.56 3iox n ASP 579 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3iox n LYS 580 N -2.06 2.32 -1.88 0.11 5.02 0.46 -5.01 118.16 117.12 3iox n LYS 580 Ca 0.00 -2.76 -0.40 0.00 -2.02 0.00 0.00 58.31 53.14 3iox n LYS 580 Cb 0.10 -1.72 0.01 0.00 -0.02 0.00 0.00 35.03 33.39 3iox n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iox s ALA 581 N -2.86 3.28 0.00 7.82 0.00 -0.56 -1.60 121.76 127.84 3iox s ALA 581 Ca 0.39 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.75 3iox s ALA 581 Cb 0.32 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3iox s ALA 581 CO 0.07 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3iox n GLY 582 N 0.60 2.63 3.82 0.00 0.00 -1.26 -4.94 105.19 106.03 3iox n GLY 582 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3iox n GLY 582 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iox s TRP 583 N -2.37 2.94 0.28 1.61 0.52 -0.63 -5.04 118.94 116.24 3iox s TRP 583 Ca 0.00 1.18 0.10 0.00 0.02 0.00 0.00 56.10 57.40 3iox s TRP 583 Cb 0.00 -3.08 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 3iox s TRP 583 CO 0.00 -1.61 -0.02 -1.12 0.02 0.00 0.00 176.95 174.21 3iox s SER 584 N -3.94 4.40 0.14 2.95 0.01 -0.83 -4.69 113.70 111.73 3iox s SER 584 Ca 0.60 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 57.10 3iox s SER 584 Cb -0.14 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 3iox s SER 584 CO 0.54 -0.02 0.12 0.42 0.41 0.00 0.00 173.24 174.71 3iox s THR 585 N -2.37 0.09 -1.52 1.44 -4.23 -0.45 -0.50 115.64 108.10 3iox s THR 585 Ca 0.32 -1.77 0.26 0.00 -1.18 0.00 0.00 61.69 59.32 3iox s THR 585 Cb -0.06 -1.99 0.50 0.00 1.34 0.00 0.00 72.50 72.29 3iox s THR 585 CO 0.19 -0.42 1.89 0.35 -0.54 0.00 0.00 174.62 176.09 3iox n THR 586 N -0.13 0.14 -0.06 3.99 -2.24 -0.99 -2.23 114.28 112.77 3iox n THR 586 Ca -0.06 0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 3iox n THR 586 Cb 0.63 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 3iox n THR 586 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3iox h VAL 587 N 0.00 0.62 -0.42 2.28 2.07 -1.96 -3.43 116.25 115.41 3iox h VAL 587 Ca 0.00 -1.51 -0.27 0.00 0.82 0.00 0.00 66.70 65.74 3iox h VAL 587 Cb 0.21 1.22 -0.40 0.00 -1.52 0.00 0.00 31.29 30.79 3iox h VAL 587 CO 0.00 0.21 -1.06 -1.20 0.02 0.00 0.00 177.57 175.54 3iox n SER 588 N -4.68 1.95 0.00 0.57 7.64 -1.25 -5.09 113.62 112.75 3iox n SER 588 Ca -0.07 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.54 3iox n SER 588 Cb 0.24 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3iox n SER 588 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3iox n ASN 589 N -0.52 0.00 -0.82 6.43 3.02 -0.95 -1.35 115.26 121.07 3iox n ASN 589 Ca 0.12 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 3iox n ASN 589 Cb 0.85 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 40.23 3iox n ASN 589 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3iox n ASN 590 N 6.26 2.39 -4.80 6.41 0.23 -1.26 -1.34 115.26 123.15 3iox n ASN 590 Ca 0.00 -1.98 -0.35 0.00 -0.53 0.00 0.00 54.58 51.72 3iox n ASN 590 Cb 0.00 -0.29 -0.06 0.00 -2.08 0.00 0.00 39.78 37.35 3iox n ASN 590 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3iox s SER 591 N -1.04 6.99 0.06 0.53 0.01 -0.46 -4.88 113.70 114.92 3iox s SER 591 Ca 0.30 1.81 -0.31 0.00 1.31 0.00 0.00 55.95 59.07 3iox s SER 591 Cb 0.16 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 3iox s SER 591 CO 0.21 -0.32 1.24 -1.58 0.41 0.00 0.00 173.24 173.20 3iox s GLN 592 N -2.71 4.40 0.05 12.44 0.74 -1.26 -4.75 119.66 128.57 3iox s GLN 592 Ca 0.58 1.82 0.03 0.00 0.05 0.00 0.00 55.36 57.84 3iox s GLN 592 Cb -0.15 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 3iox s GLN 592 CO 0.19 -0.31 -0.09 0.14 -0.55 0.00 0.00 175.29 174.67 3iox s VAL 593 N 1.18 0.67 0.03 1.34 -7.23 -1.26 -5.05 120.40 110.08 3iox s VAL 593 Ca 0.60 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 3iox s VAL 593 Cb -0.31 -0.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3iox s VAL 593 CO 0.29 -0.36 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.11 3iox s LYS 594 N -1.66 0.49 -0.01 4.82 1.02 -1.26 -3.13 119.74 120.01 3iox s LYS 594 Ca -0.08 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 3iox s LYS 594 Cb -0.10 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 3iox s LYS 594 CO 0.01 0.05 0.27 1.67 -0.92 0.00 0.00 175.35 176.42 3iox s TRP 595 N -1.20 -0.12 -0.01 3.18 -2.14 -0.10 -1.20 118.94 117.35 3iox s TRP 595 Ca -0.09 0.15 -0.05 0.00 2.66 0.00 0.00 56.10 58.77 3iox s TRP 595 Cb -0.09 0.06 -0.04 0.00 -3.10 0.00 0.00 33.47 30.30 3iox s TRP 595 CO 0.00 -0.37 0.22 0.20 -2.66 0.00 0.00 176.95 174.34 3iox s GLY 596 N -1.39 2.21 0.07 3.67 0.00 -0.46 -1.36 107.32 110.07 3iox s GLY 596 Ca -0.13 -0.66 0.10 0.00 0.00 0.00 0.00 44.72 44.02 3iox s GLY 596 CO 0.03 -0.50 -0.26 -0.56 0.00 0.00 0.00 173.10 171.81 3iox s SER 597 N -1.74 3.17 0.05 1.64 0.01 -1.26 -0.76 113.70 114.81 3iox s SER 597 Ca 0.26 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 3iox s SER 597 Cb -0.13 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 3iox s SER 597 CO 0.16 0.22 -0.04 0.68 0.41 0.00 0.00 173.24 174.68 3iox s VAL 598 N -0.90 0.29 -0.21 3.43 -7.23 -0.74 -1.33 120.40 113.72 3iox s VAL 598 Ca 0.12 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3iox s VAL 598 Cb -0.10 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.63 3iox s VAL 598 CO 0.03 -0.84 -0.13 -0.22 -0.31 0.00 0.00 175.10 173.64 3iox s LEU 599 N -2.56 2.61 0.20 1.32 2.96 0.42 -1.43 118.68 122.20 3iox s LEU 599 Ca 0.02 -0.66 0.11 0.00 -0.22 0.00 0.00 54.13 53.38 3iox s LEU 599 Cb 0.03 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 3iox s LEU 599 CO -0.07 -0.04 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.94 3iox s LEU 600 N 1.34 2.46 0.39 -0.68 1.43 0.86 -1.83 118.68 122.64 3iox s LEU 600 Ca 0.04 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 3iox s LEU 600 Cb -0.14 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3iox s LEU 600 CO -0.08 0.07 0.28 -1.61 0.23 0.00 0.00 176.35 175.24 3iox s GLU 601 N -2.82 2.46 0.28 1.70 2.02 -1.26 0.20 118.70 121.28 3iox s GLU 601 Ca 0.21 -1.57 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 3iox s GLU 601 Cb -0.07 -2.27 -0.13 0.00 0.10 0.00 0.00 34.13 31.76 3iox s GLU 601 CO 0.10 -0.08 1.32 0.54 0.02 0.00 0.00 175.26 177.16 3iox n ARG 602 N -1.39 1.98 0.00 1.61 1.74 -1.26 -1.27 116.66 118.07 3iox n ARG 602 Ca 0.01 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 3iox n ARG 602 Cb 0.62 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3iox n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iox n GLY 603 N 1.60 3.06 3.90 -0.13 0.00 -0.09 -4.93 105.19 108.60 3iox n GLY 603 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3iox n GLY 603 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iox s GLN 604 N -0.33 3.37 0.30 1.61 -0.21 -0.40 -4.78 119.66 119.21 3iox s GLN 604 Ca 0.00 0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.72 3iox s GLN 604 Cb 0.00 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.76 3iox s GLN 604 CO 0.00 -0.49 0.36 -1.54 -2.12 0.00 0.00 175.29 171.50 3iox s SER 605 N -4.19 0.85 -0.02 5.90 1.04 -1.26 -1.88 113.70 114.14 3iox s SER 605 Ca 0.52 -1.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 3iox s SER 605 Cb -0.11 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.61 3iox s SER 605 CO 0.48 -1.13 0.04 0.00 0.98 0.00 0.00 173.24 173.61 3iox s ALA 606 N -3.47 -0.02 -0.22 5.32 0.00 -0.46 -2.48 121.76 120.42 3iox s ALA 606 Ca 0.34 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 3iox s ALA 606 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 3iox s ALA 606 CO 0.19 -0.07 -0.06 0.99 0.00 0.00 0.00 175.76 176.81 3iox s THR 607 N 0.60 3.16 -0.19 0.00 2.01 -0.11 -0.73 115.64 120.38 3iox s THR 607 Ca -0.05 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 3iox s THR 607 Cb -0.07 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 3iox s THR 607 CO -0.02 0.42 0.13 0.00 -0.69 0.00 0.00 174.62 174.46 3iox s ALA 608 N 1.44 3.69 -0.25 7.40 0.00 0.18 -2.32 121.76 131.90 3iox s ALA 608 Ca 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3iox s ALA 608 Cb -0.14 -2.12 0.03 0.00 0.00 0.00 0.00 23.12 20.89 3iox s ALA 608 CO -0.05 0.22 -0.06 0.99 0.00 0.00 0.00 175.76 176.86 3iox s THR 609 N 0.17 2.79 -0.21 0.00 2.01 0.01 -0.28 115.64 120.13 3iox s THR 609 Ca 0.09 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 3iox s THR 609 Cb -0.11 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3iox s THR 609 CO -0.01 0.16 0.08 -0.31 -0.69 0.00 0.00 174.62 173.84 3iox s TYR 610 N 1.30 3.20 0.27 4.92 2.02 0.06 -1.68 117.35 127.43 3iox s TYR 610 Ca -0.01 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 3iox s TYR 610 Cb -0.17 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 3iox s TYR 610 CO -0.04 -0.01 0.08 0.25 -1.57 0.00 0.00 175.55 174.26 3iox n THR 611 N 4.04 0.00 -3.51 -0.71 -2.24 -0.32 -1.79 114.28 109.75 3iox n THR 611 Ca -0.16 -1.50 -0.24 0.00 -2.27 0.00 0.00 64.05 59.88 3iox n THR 611 Cb 0.52 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3iox n THR 611 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3iox n ASN 612 N -1.65 -6.37 -4.78 3.42 5.15 -1.26 -0.47 115.26 109.31 3iox n ASN 612 Ca -0.05 -0.50 -0.37 0.00 -0.60 0.00 0.00 54.58 53.06 3iox n ASN 612 Cb 0.39 -5.03 -0.05 0.00 -0.53 0.00 0.00 39.78 34.56 3iox n ASN 612 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3iox s LEU 613 N -7.22 4.30 0.00 1.20 1.43 -1.26 -4.14 118.68 112.99 3iox s LEU 613 Ca 0.54 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3iox s LEU 613 Cb -0.24 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 41.97 3iox s LEU 613 CO 0.67 -0.26 0.00 0.00 0.23 0.00 0.00 176.35 177.00 3iox n GLN 614 N 0.42 3.11 -0.05 1.70 1.13 -1.26 -4.87 117.38 117.56 3iox n GLN 614 Ca 0.03 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.13 3iox n GLN 614 Cb 0.49 -0.99 0.06 0.00 0.11 0.00 0.00 30.24 29.91 3iox n GLN 614 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3iox n ASN 615 N -1.86 1.94 -4.61 1.08 3.02 -1.26 -5.05 115.26 108.52 3iox n ASN 615 Ca 0.00 -2.41 -0.34 0.00 -0.03 0.00 0.00 54.58 51.80 3iox n ASN 615 Cb 0.39 -0.19 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 3iox n ASN 615 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3iox s SER 616 N -1.74 5.03 0.06 6.41 0.01 -1.26 -4.68 113.70 117.53 3iox s SER 616 Ca 0.14 0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.36 3iox s SER 616 Cb 0.12 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.81 3iox s SER 616 CO 0.01 0.30 0.13 -0.31 0.41 0.00 0.00 173.24 173.79 3iox s TYR 617 N -0.44 0.21 -0.17 2.43 1.51 0.02 -0.93 117.35 119.98 3iox s TYR 617 Ca 0.07 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 3iox s TYR 617 Cb -0.12 -0.13 0.04 0.00 -0.11 0.00 0.00 41.96 41.64 3iox s TYR 617 CO 0.02 -0.46 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.46 3iox s TYR 618 N -3.38 1.91 -1.49 2.71 5.04 0.21 -0.29 117.35 122.05 3iox s TYR 618 Ca 0.01 -1.20 -0.12 0.00 -2.44 0.00 0.00 57.07 53.32 3iox s TYR 618 Cb 0.03 -1.41 0.07 0.00 0.35 0.00 0.00 41.96 41.00 3iox s TYR 618 CO -0.08 -0.65 0.87 0.09 -1.34 0.00 0.00 175.55 174.44 3iox n ASN 619 N 4.82 -4.84 0.00 4.32 5.03 0.41 -0.54 115.26 124.46 3iox n ASN 619 Ca -0.13 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.66 3iox n ASN 619 Cb 0.48 -3.89 0.00 0.00 -1.02 0.00 0.00 39.78 35.35 3iox n ASN 619 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iox n GLY 620 N -1.60 2.12 3.68 7.41 0.00 -1.26 -4.01 105.19 111.53 3iox n GLY 620 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3iox n GLY 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iox s LYS 621 N -0.00 4.29 0.24 1.61 2.20 0.30 -4.35 119.74 124.02 3iox s LYS 621 Ca 0.00 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 56.03 3iox s LYS 621 Cb 0.00 -3.53 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 3iox s LYS 621 CO 0.00 -0.15 1.57 0.21 -0.36 0.00 0.00 175.35 176.62 3iox s LYS 622 N 1.58 4.18 -0.25 4.03 2.20 -1.26 -0.62 119.74 129.60 3iox s LYS 622 Ca 0.32 2.46 -0.16 0.00 -0.36 0.00 0.00 55.97 58.24 3iox s LYS 622 Cb -0.16 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 3iox s LYS 622 CO 0.12 -0.60 0.41 0.42 -0.36 0.00 0.00 175.35 175.35 3iox s ILE 623 N 0.50 5.15 -0.12 5.43 1.01 -0.11 -3.68 121.20 129.38 3iox s ILE 623 Ca 0.66 0.68 0.19 0.00 0.00 0.00 0.00 60.65 62.18 3iox s ILE 623 Cb -0.46 -3.74 -0.28 0.00 0.01 0.00 0.00 42.46 37.99 3iox s ILE 623 CO 0.40 0.16 0.25 -1.54 0.00 0.00 0.00 174.94 174.21 3iox n SER 624 N 5.18 0.14 -3.75 3.58 3.41 -0.33 -4.68 113.62 117.18 3iox n SER 624 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.40 3iox n SER 624 Cb 0.51 1.45 -0.08 0.00 -0.26 0.00 0.00 64.21 65.82 3iox n SER 624 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3iox s LYS 625 N -2.94 0.69 -0.04 4.33 2.20 -1.18 -4.01 119.74 118.78 3iox s LYS 625 Ca -0.09 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 3iox s LYS 625 Cb 0.09 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 3iox s LYS 625 CO 0.84 -0.19 -0.03 0.42 -0.36 0.00 0.00 175.35 176.03 3iox s ILE 626 N -1.38 0.43 -0.20 5.43 1.01 -0.74 -0.30 121.20 125.46 3iox s ILE 626 Ca -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 3iox s ILE 626 Cb -0.05 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 3iox s ILE 626 CO 0.04 0.21 -0.08 -0.69 0.00 0.00 0.00 174.94 174.43 3iox s VAL 627 N 1.08 3.19 -0.09 2.92 1.01 -0.52 -0.76 120.40 127.24 3iox s VAL 627 Ca -0.09 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 3iox s VAL 627 Cb -0.14 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3iox s VAL 627 CO -0.01 0.46 -0.06 -0.47 0.00 0.00 0.00 175.10 175.02 3iox s TYR 628 N 1.19 1.16 -0.20 5.22 6.04 0.62 -1.66 117.35 129.71 3iox s TYR 628 Ca 0.02 -0.48 -0.06 0.00 0.04 0.00 0.00 57.07 56.59 3iox s TYR 628 Cb -0.14 -1.02 -0.03 0.00 -1.04 0.00 0.00 41.96 39.73 3iox s TYR 628 CO -0.02 -0.39 0.02 0.21 -1.54 0.00 0.00 175.55 173.83 3iox s LYS 629 N 1.53 3.70 -0.23 4.97 2.20 0.34 0.49 119.74 132.75 3iox s LYS 629 Ca 0.00 -0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 3iox s LYS 629 Cb -0.13 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3iox s LYS 629 CO -0.05 0.05 0.03 0.71 -0.36 0.00 0.00 175.35 175.74 3iox s TYR 630 N 0.92 3.06 -0.05 4.03 1.51 0.09 -1.65 117.35 125.26 3iox s TYR 630 Ca 0.02 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 3iox s TYR 630 Cb -0.14 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 3iox s TYR 630 CO 0.02 -0.35 -0.22 0.99 -1.11 0.00 0.00 175.55 174.88 3iox s THR 631 N 1.41 1.81 -0.20 -0.71 2.01 -0.38 -1.36 115.64 118.22 3iox s THR 631 Ca 0.05 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 3iox s THR 631 Cb -0.15 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 3iox s THR 631 CO 0.02 0.51 1.35 -0.69 -0.69 0.00 0.00 174.62 175.12 3iox s VAL 632 N -0.12 4.11 0.03 3.82 1.01 -0.79 0.03 120.40 128.50 3iox s VAL 632 Ca -0.03 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3iox s VAL 632 Cb -0.13 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3iox s VAL 632 CO 0.03 -0.25 1.75 -0.62 0.00 0.00 0.00 175.10 176.01 3iox s ASP 633 N 2.60 6.56 0.56 3.32 -1.08 -0.28 -0.91 116.67 127.44 3iox s ASP 633 Ca 0.59 2.49 0.25 0.00 -0.52 0.00 0.00 52.55 55.36 3iox s ASP 633 Cb -0.22 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.19 3iox s ASP 633 CO 0.20 -0.95 2.07 -0.65 0.52 0.00 0.00 175.17 176.35 3iox h PRO 634 N 9.30 0.00 0.00 4.34 0.11 -1.91 -1.02 132.00 142.81 3iox h PRO 634 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iox h PRO 634 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iox h PRO 634 CO 0.94 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 3iox n LYS 635 N -4.13 0.54 -1.78 1.05 5.02 -1.26 -4.83 118.16 112.78 3iox n LYS 635 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 3iox n LYS 635 Cb 0.39 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3iox n LYS 635 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3iox s SER 636 N -2.25 6.33 0.00 4.39 0.01 -0.39 -4.93 113.70 116.86 3iox s SER 636 Ca 0.29 3.05 0.22 0.00 1.31 0.00 0.00 55.95 60.82 3iox s SER 636 Cb 0.15 -2.66 0.62 0.00 0.21 0.00 0.00 66.02 64.34 3iox s SER 636 CO 0.30 -0.90 1.52 0.29 0.41 0.00 0.00 173.24 174.86 3iox n LYS 637 N 0.75 2.73 -1.72 12.44 5.02 -1.07 -4.94 118.16 131.37 3iox n LYS 637 Ca 0.02 -2.62 -0.38 0.00 -2.02 0.00 0.00 58.31 53.31 3iox n LYS 637 Cb 0.39 -1.55 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 3iox n LYS 637 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3iox n PHE 638 N 1.59 2.00 0.10 2.13 1.16 -0.80 -4.36 117.46 119.27 3iox n PHE 638 Ca 0.24 0.43 -0.00 0.00 -1.87 0.00 0.00 57.45 56.25 3iox n PHE 638 Cb 0.61 -2.31 0.29 0.00 -1.61 0.00 0.00 39.48 36.47 3iox n PHE 638 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 3iox h GLN 639 N 1.05 0.25 0.00 3.97 4.20 -1.91 -3.45 115.11 119.21 3iox h GLN 639 Ca -0.50 -0.09 -0.32 0.00 0.06 0.00 0.00 58.65 57.79 3iox h GLN 639 Cb 1.32 -0.02 0.14 0.00 0.30 0.00 0.00 27.48 29.23 3iox h GLN 639 CO 0.55 0.52 0.21 0.41 -0.67 0.00 0.00 178.83 179.85 3iox n GLY 640 N -0.47 -2.06 0.05 3.46 0.00 -1.26 -5.00 105.19 99.92 3iox n GLY 640 Ca -0.01 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.42 3iox n GLY 640 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iox n GLN 641 N -3.64 -0.44 -4.37 1.61 6.02 -1.26 -5.04 117.38 110.26 3iox n GLN 641 Ca 0.12 -0.56 -0.28 0.00 -0.01 0.00 0.00 57.00 56.28 3iox n GLN 641 Cb 0.45 -1.00 -0.13 0.00 1.02 0.00 0.00 30.24 30.58 3iox n GLN 641 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3iox s LYS 642 N -0.17 1.34 -0.02 -1.09 -0.14 -1.26 -4.28 119.74 114.13 3iox s LYS 642 Ca 0.02 -1.32 0.02 0.00 -1.36 0.00 0.00 55.97 53.33 3iox s LYS 642 Cb 0.01 -1.76 0.01 0.00 -1.68 0.00 0.00 37.83 34.40 3iox s LYS 642 CO 0.02 0.41 -0.06 0.08 -0.76 0.00 0.00 175.35 175.05 3iox s VAL 643 N -1.14 0.50 -0.19 3.17 1.01 0.13 -4.50 120.40 119.39 3iox s VAL 643 Ca 0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3iox s VAL 643 Cb -0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3iox s VAL 643 CO 0.06 0.17 0.17 0.86 0.00 0.00 0.00 175.10 176.36 3iox s TRP 644 N 0.23 3.42 -0.15 5.22 -0.00 0.55 -0.10 118.94 128.12 3iox s TRP 644 Ca -0.03 0.39 0.02 0.00 -0.00 0.00 0.00 56.10 56.48 3iox s TRP 644 Cb -0.07 -2.20 0.01 0.00 -0.00 0.00 0.00 33.47 31.21 3iox s TRP 644 CO -0.00 0.28 -0.19 -0.51 -0.00 0.00 0.00 176.95 176.53 3iox s LEU 645 N 0.37 2.25 -0.31 5.86 1.43 -0.51 -0.82 118.68 126.95 3iox s LEU 645 Ca 0.10 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3iox s LEU 645 Cb -0.11 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3iox s LEU 645 CO -0.01 0.08 0.06 -0.83 0.23 0.00 0.00 176.35 175.89 3iox s GLY 646 N 0.82 1.79 -0.34 -3.19 0.00 0.10 -1.79 107.32 104.71 3iox s GLY 646 Ca -0.06 -1.61 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 3iox s GLY 646 CO -0.01 0.69 0.16 -0.42 0.00 0.00 0.00 173.10 173.52 3iox s ILE 647 N 1.41 4.49 0.52 0.90 1.01 0.06 -1.33 121.20 128.25 3iox s ILE 647 Ca -0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.79 3iox s ILE 647 Cb -0.18 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 3iox s ILE 647 CO 0.01 -0.06 1.18 -0.36 0.00 0.00 0.00 174.94 175.71 3iox s PHE 648 N 1.57 2.67 0.38 3.97 0.08 -1.13 -1.35 117.98 124.17 3iox s PHE 648 Ca 0.03 1.52 0.12 0.00 0.12 0.00 0.00 56.93 58.72 3iox s PHE 648 Cb -0.18 -3.41 0.75 0.00 -0.57 0.00 0.00 43.02 39.61 3iox s PHE 648 CO 0.06 -1.78 1.85 1.79 -0.10 0.00 0.00 175.22 177.04 3iox h THR 649 N 1.46 1.24 -3.39 0.64 1.35 -1.51 -3.37 112.91 109.33 3iox h THR 649 Ca -0.50 -1.14 -0.62 0.00 -0.55 0.00 0.00 66.41 63.60 3iox h THR 649 Cb 1.27 1.59 -0.13 0.00 -1.73 0.00 0.00 68.15 69.14 3iox h THR 649 CO 0.58 0.33 0.44 -0.62 -0.25 0.00 0.00 175.52 176.00 3iox s ASP 650 N -6.94 6.37 0.51 5.36 -1.08 -1.26 -4.49 116.67 115.14 3iox s ASP 650 Ca -0.03 -0.28 0.26 0.00 -0.52 0.00 0.00 52.55 51.97 3iox s ASP 650 Cb 0.15 -2.41 1.36 0.00 -1.46 0.00 0.00 42.92 40.56 3iox s ASP 650 CO 0.72 -1.07 1.94 1.55 0.52 0.00 0.00 175.17 178.83 3iox h PRO 651 N 9.15 0.08 0.00 4.34 0.13 -1.80 -0.52 132.00 143.38 3iox h PRO 651 Ca -0.26 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3iox h PRO 651 Cb 1.08 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3iox h PRO 651 CO 1.03 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 179.10 3iox n THR 652 N -4.36 0.87 0.69 1.56 -2.24 -1.26 -1.98 114.28 107.55 3iox n THR 652 Ca 0.14 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 3iox n THR 652 Cb 0.72 -1.16 0.26 0.00 -2.10 0.00 0.00 70.33 68.06 3iox n THR 652 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3iox n LEU 653 N -2.11 0.63 0.00 3.22 4.77 -0.20 -4.67 117.00 118.63 3iox n LEU 653 Ca 0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3iox n LEU 653 Cb 0.21 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3iox n LEU 653 CO 0.18 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3iox n GLY 654 N 1.37 1.27 3.29 -0.72 0.00 -0.84 -4.56 105.19 105.01 3iox n GLY 654 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 3iox n GLY 654 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iox s VAL 655 N 0.00 0.08 -0.15 1.61 0.11 -0.75 -2.83 120.40 118.47 3iox s VAL 655 Ca 0.00 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 3iox s VAL 655 Cb 0.00 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3iox s VAL 655 CO 0.00 -0.36 -0.20 0.12 -3.33 0.00 0.00 175.10 171.33 3iox s PHE 656 N -3.17 2.71 -0.07 1.54 5.36 -0.44 -2.09 117.98 121.81 3iox s PHE 656 Ca -0.01 -1.31 0.05 0.00 -0.96 0.00 0.00 56.93 54.70 3iox s PHE 656 Cb 0.01 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 3iox s PHE 656 CO -0.07 -0.61 -0.21 0.00 -1.46 0.00 0.00 175.22 172.87 3iox s ALA 657 N 0.87 2.33 -0.12 11.12 0.00 0.03 -0.73 121.76 135.27 3iox s ALA 657 Ca -0.05 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 3iox s ALA 657 Cb -0.15 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.20 3iox s ALA 657 CO -0.03 0.42 0.31 0.45 0.00 0.00 0.00 175.76 176.91 3iox s SER 658 N -0.19 -0.35 -0.02 0.00 0.15 -0.00 -0.92 113.70 112.37 3iox s SER 658 Ca -0.02 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.33 3iox s SER 658 Cb -0.13 0.57 0.10 0.00 -1.71 0.00 0.00 66.02 64.85 3iox s SER 658 CO 0.03 -0.15 1.07 0.00 1.20 0.00 0.00 173.24 175.39 3iox n ALA 659 N 3.80 2.10 -2.11 5.45 0.00 -0.31 -0.33 120.51 129.11 3iox n ALA 659 Ca -0.21 -1.29 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 3iox n ALA 659 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 3iox n ALA 659 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3iox s TYR 660 N -1.33 2.61 -0.22 0.00 5.04 -1.24 -4.69 117.35 117.52 3iox s TYR 660 Ca 0.09 0.59 0.11 0.00 -2.44 0.00 0.00 57.07 55.42 3iox s TYR 660 Cb 0.07 -3.79 0.43 0.00 0.35 0.00 0.00 41.96 39.02 3iox s TYR 660 CO 0.03 -3.05 1.21 0.25 -1.34 0.00 0.00 175.55 172.65 3iox n THR 661 N 4.80 2.24 0.00 4.34 -2.24 -1.26 -1.08 114.28 121.08 3iox n THR 661 Ca 0.15 -3.38 0.00 0.00 -2.27 0.00 0.00 64.05 58.55 3iox n THR 661 Cb 0.43 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3iox n THR 661 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iox n GLY 662 N -1.04 3.08 3.17 3.38 0.00 -1.26 -4.84 105.19 107.68 3iox n GLY 662 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 3iox n GLY 662 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iox s GLN 663 N -0.67 0.88 0.68 1.61 -1.52 -1.26 -5.03 119.66 114.34 3iox s GLN 663 Ca 0.00 -0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 52.38 3iox s GLN 663 Cb 0.00 -0.91 0.00 0.00 -0.22 0.00 0.00 33.01 31.88 3iox s GLN 663 CO 0.00 0.21 1.06 0.14 -0.25 0.00 0.00 175.29 176.45 3iox s VAL 664 N -1.14 3.91 0.01 1.09 -7.23 -1.26 -4.84 120.40 110.93 3iox s VAL 664 Ca -0.00 0.69 0.04 0.00 -1.81 0.00 0.00 61.98 60.89 3iox s VAL 664 Cb -0.09 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.48 3iox s VAL 664 CO 0.02 -0.75 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.32 3iox s GLU 665 N -4.80 0.99 0.32 4.82 2.02 0.96 -4.75 118.70 118.27 3iox s GLU 665 Ca 0.60 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.94 3iox s GLU 665 Cb -0.15 -0.97 -0.06 0.00 0.10 0.00 0.00 34.13 33.05 3iox s GLU 665 CO 0.51 0.26 0.64 0.15 0.02 0.00 0.00 175.26 176.83 3iox s LYS 666 N -0.62 3.73 -1.65 1.61 1.02 -1.26 -0.61 119.74 121.95 3iox s LYS 666 Ca 0.04 0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.13 3iox s LYS 666 Cb -0.06 -2.55 0.12 0.00 -0.52 0.00 0.00 37.83 34.82 3iox s LYS 666 CO 0.00 0.14 0.62 0.09 -0.92 0.00 0.00 175.35 175.28 3iox n ASN 667 N -0.92 -2.14 -4.82 2.83 3.02 -1.26 -4.94 115.26 107.03 3iox n ASN 667 Ca 0.00 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.28 3iox n ASN 667 Cb 0.54 -2.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.06 3iox n ASN 667 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3iox s THR 668 N -3.53 2.87 0.00 3.41 -1.32 -1.26 -4.88 115.64 110.94 3iox s THR 668 Ca 0.53 -1.48 -0.28 0.00 -1.21 0.00 0.00 61.69 59.25 3iox s THR 668 Cb -0.29 -3.04 0.10 0.00 -1.51 0.00 0.00 72.50 67.76 3iox s THR 668 CO 0.94 -0.08 0.88 -0.94 -2.21 0.00 0.00 174.62 173.21 3iox s SER 669 N -4.01 -0.36 -0.14 8.08 1.04 -1.26 -0.84 113.70 116.22 3iox s SER 669 Ca 0.43 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 3iox s SER 669 Cb -0.02 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.55 3iox s SER 669 CO 0.26 -0.64 0.28 -0.51 0.98 0.00 0.00 173.24 173.60 3iox s ILE 670 N -3.14 -0.43 -0.02 -1.02 2.07 -0.45 -1.90 121.20 116.31 3iox s ILE 670 Ca 0.05 0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.61 3iox s ILE 670 Cb -0.01 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 42.11 3iox s ILE 670 CO -0.09 0.11 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.54 3iox s PHE 671 N 2.42 1.46 -0.13 3.50 0.08 -1.26 -1.55 117.98 122.49 3iox s PHE 671 Ca 0.01 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.75 3iox s PHE 671 Cb -0.12 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3iox s PHE 671 CO -0.09 -0.07 -0.21 0.42 -0.10 0.00 0.00 175.22 175.17 3iox s ILE 672 N -0.19 1.96 0.14 0.64 -1.09 -0.21 -1.12 121.20 121.32 3iox s ILE 672 Ca 0.02 -0.92 -0.27 0.00 -2.23 0.00 0.00 60.65 57.25 3iox s ILE 672 Cb -0.08 -1.73 -0.07 0.00 -1.58 0.00 0.00 42.46 39.00 3iox s ILE 672 CO 0.00 0.53 0.84 -0.75 -1.23 0.00 0.00 174.94 174.34 3iox s LYS 673 N 0.76 4.63 -0.15 2.79 2.20 0.10 -1.77 119.74 128.31 3iox s LYS 673 Ca -0.09 1.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 3iox s LYS 673 Cb -0.16 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 3iox s LYS 673 CO -0.00 0.42 -0.18 -0.80 -0.36 0.00 0.00 175.35 174.43 3iox s ASN 674 N -0.65 2.90 -0.14 1.43 0.01 0.24 -1.25 114.94 117.48 3iox s ASN 674 Ca 0.40 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 3iox s ASN 674 Cb -0.23 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.12 3iox s ASN 674 CO 0.27 -0.00 -0.17 -1.61 -1.51 0.00 0.00 177.10 174.08 3iox s GLU 675 N 1.22 2.50 0.02 -0.60 2.02 -0.66 -1.62 118.70 121.59 3iox s GLU 675 Ca 0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 3iox s GLU 675 Cb -0.14 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 3iox s GLU 675 CO -0.09 -0.13 -0.01 -0.59 0.02 0.00 0.00 175.26 174.46 3iox s PHE 676 N 1.17 0.28 -0.02 1.61 -0.12 -0.25 -0.50 117.98 120.15 3iox s PHE 676 Ca -0.01 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 3iox s PHE 676 Cb -0.14 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 3iox s PHE 676 CO -0.06 -0.23 0.01 0.99 -0.05 0.00 0.00 175.22 175.88 3iox s THR 677 N -1.85 0.01 -0.01 -4.49 2.01 -0.67 -1.93 115.64 108.71 3iox s THR 677 Ca -0.12 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3iox s THR 677 Cb -0.07 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3iox s THR 677 CO -0.02 0.07 0.12 -0.36 -0.69 0.00 0.00 174.62 173.75 3iox s PHE 678 N 0.71 3.41 0.10 4.92 0.40 -1.26 -1.44 117.98 124.82 3iox s PHE 678 Ca -0.06 0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.63 3iox s PHE 678 Cb -0.09 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 3iox s PHE 678 CO -0.02 0.60 -0.21 0.71 0.70 0.00 0.00 175.22 177.00 3iox s TYR 679 N -1.24 1.79 0.77 0.36 1.51 0.59 0.03 117.35 121.17 3iox s TYR 679 Ca 0.24 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 3iox s TYR 679 Cb -0.12 -0.99 0.16 0.00 -0.11 0.00 0.00 41.96 40.90 3iox s TYR 679 CO 0.15 0.20 1.05 -0.40 -1.11 0.00 0.00 175.55 175.45 3iox n ASP 680 N 1.11 1.07 -0.05 2.29 5.68 -0.32 -1.18 116.55 125.15 3iox n ASP 680 Ca -0.19 -1.98 0.23 0.00 -0.50 0.00 0.00 54.79 52.35 3iox n ASP 680 Cb 0.54 -0.71 0.72 0.00 -1.14 0.00 0.00 41.12 40.52 3iox n ASP 680 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3iox h GLU 681 N 0.00 0.00 -0.06 0.11 4.11 -1.90 0.26 114.58 117.09 3iox h GLU 681 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 3iox h GLU 681 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3iox h GLU 681 CO 0.34 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.17 3iox n ASP 682 N -4.18 1.38 0.00 3.06 8.00 -1.26 -4.91 116.55 118.65 3iox n ASP 682 Ca 0.13 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 54.10 3iox n ASP 682 Cb 0.75 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3iox n ASP 682 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iox n GLY 683 N 1.13 0.46 3.82 0.44 0.00 0.90 -5.04 105.19 106.90 3iox n GLY 683 Ca 0.18 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3iox n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iox s LYS 684 N -1.05 3.98 0.35 1.61 2.20 -1.26 -4.79 119.74 120.78 3iox s LYS 684 Ca 0.00 0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.72 3iox s LYS 684 Cb 0.00 -3.26 -0.11 0.00 -1.51 0.00 0.00 37.83 32.95 3iox s LYS 684 CO 0.00 0.61 1.50 -2.14 -0.36 0.00 0.00 175.35 174.96 3iox s PRO 685 N -0.80 4.13 -0.24 4.03 0.02 -1.26 -1.18 135.00 139.70 3iox s PRO 685 Ca 0.23 2.55 -0.20 0.00 0.02 0.00 0.00 61.00 63.61 3iox s PRO 685 Cb -0.16 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 3iox s PRO 685 CO 0.12 -0.54 0.60 0.42 -0.33 0.00 0.00 177.00 177.28 3iox s ILE 686 N -0.87 5.02 -0.78 2.83 1.01 0.10 -4.86 121.20 123.66 3iox s ILE 686 Ca 0.55 1.09 -0.20 0.00 0.00 0.00 0.00 60.65 62.09 3iox s ILE 686 Cb -0.46 -3.91 0.11 0.00 0.01 0.00 0.00 42.46 38.21 3iox s ILE 686 CO 0.59 0.07 0.98 0.21 0.00 0.00 0.00 174.94 176.79 3iox s ASN 687 N 1.39 6.42 0.58 3.58 3.84 -1.26 -3.94 114.94 125.54 3iox s ASN 687 Ca 0.26 -1.66 -0.21 0.00 0.21 0.00 0.00 52.86 51.46 3iox s ASN 687 Cb -0.16 -2.38 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 3iox s ASN 687 CO 0.09 -1.16 1.33 0.49 -2.79 0.00 0.00 177.10 175.07 3iox n PHE 688 N 6.70 2.17 -3.73 0.43 3.72 -1.03 -4.64 117.46 121.07 3iox n PHE 688 Ca 0.09 0.43 -0.29 0.00 -0.05 0.00 0.00 57.45 57.63 3iox n PHE 688 Cb 0.47 -2.33 -0.12 0.00 -0.94 0.00 0.00 39.48 36.55 3iox n PHE 688 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3iox s ASP 689 N -1.04 3.64 -1.12 4.37 -1.08 -1.26 -0.74 116.67 119.45 3iox s ASP 689 Ca 0.75 -3.04 -0.04 0.00 -0.52 0.00 0.00 52.55 49.69 3iox s ASP 689 Cb -0.41 -1.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.91 3iox s ASP 689 CO 0.47 -0.20 0.96 0.59 0.52 0.00 0.00 175.17 177.50 3iox n ASN 690 N 2.99 -4.16 -4.76 -0.34 3.02 -0.34 -4.97 115.26 106.68 3iox n ASN 690 Ca 0.15 -0.50 -0.40 0.00 -0.03 0.00 0.00 54.58 53.80 3iox n ASN 690 Cb 0.37 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 3iox n ASN 690 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iox s ALA 691 N -3.29 3.40 -0.34 5.41 0.00 0.82 -4.60 121.76 123.15 3iox s ALA 691 Ca 0.29 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 3iox s ALA 691 Cb -0.13 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 3iox s ALA 691 CO 0.63 -0.40 0.59 -0.51 0.00 0.00 0.00 175.76 176.07 3iox s LEU 692 N -1.76 4.27 -0.24 0.00 1.43 -1.26 -0.37 118.68 120.74 3iox s LEU 692 Ca 0.48 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 3iox s LEU 692 Cb -0.34 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 3iox s LEU 692 CO 0.45 -0.53 0.19 -0.22 0.23 0.00 0.00 176.35 176.47 3iox s LEU 693 N 2.57 4.11 0.04 1.79 2.96 0.39 -4.66 118.68 125.88 3iox s LEU 693 Ca 0.22 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 3iox s LEU 693 Cb -0.15 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3iox s LEU 693 CO 0.14 0.03 0.95 -0.55 -1.32 0.00 0.00 176.35 175.60 3iox s SER 694 N 1.15 7.40 -0.32 3.68 0.15 0.13 -0.47 113.70 125.41 3iox s SER 694 Ca 0.09 1.69 0.03 0.00 0.70 0.00 0.00 55.95 58.45 3iox s SER 694 Cb -0.14 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.70 3iox s SER 694 CO 0.06 -0.17 0.05 -0.69 1.20 0.00 0.00 173.24 173.69 3iox s VAL 695 N 0.58 1.89 0.43 4.45 1.01 -0.91 -3.81 120.40 124.04 3iox s VAL 695 Ca 0.49 -2.03 0.01 0.00 0.00 0.00 0.00 61.98 60.45 3iox s VAL 695 Cb -0.22 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3iox s VAL 695 CO 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 175.10 174.83 3iox n ALA 696 N 4.43 0.40 -3.88 5.51 0.00 -1.26 -1.11 120.51 124.60 3iox n ALA 696 Ca 0.01 -1.96 -0.29 0.00 0.00 0.00 0.00 53.44 51.20 3iox n ALA 696 Cb 0.42 1.12 0.03 0.00 0.00 0.00 0.00 19.45 21.02 3iox n ALA 696 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iox n SER 697 N -1.33 -4.57 -4.17 0.00 2.88 -1.02 -4.87 113.62 100.54 3iox n SER 697 Ca -0.16 -0.77 -0.43 0.00 -1.33 0.00 0.00 58.87 56.18 3iox n SER 697 Cb 0.56 -3.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 3iox n SER 697 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3iox n LEU 698 N -4.67 5.90 -4.76 2.46 4.77 -0.67 -4.98 117.00 115.05 3iox n LEU 698 Ca 0.01 -4.37 -0.41 0.00 -0.03 0.00 0.00 56.01 51.21 3iox n LEU 698 Cb 0.54 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 3iox n LEU 698 CO 0.74 0.89 1.09 0.20 -1.33 0.00 0.00 177.39 178.99 3iox s ASN 699 N 2.52 6.58 -0.14 -1.43 -0.87 -1.26 -4.56 114.94 115.78 3iox s ASN 699 Ca 0.45 2.80 -0.03 0.00 -1.57 0.00 0.00 52.86 54.51 3iox s ASN 699 Cb 0.05 -2.64 0.05 0.00 -0.02 0.00 0.00 41.25 38.69 3iox s ASN 699 CO 0.00 -0.72 0.04 -0.60 -2.57 0.00 0.00 177.10 173.25 3iox s ARG 700 N -1.22 0.47 0.54 -0.60 3.52 -1.26 -0.86 118.95 119.55 3iox s ARG 700 Ca 0.55 -0.11 0.08 0.00 -0.13 0.00 0.00 55.73 56.12 3iox s ARG 700 Cb -0.43 -1.54 0.06 0.00 -1.56 0.00 0.00 34.95 31.48 3iox s ARG 700 CO 0.51 -0.51 0.65 -1.21 -0.81 0.00 0.00 175.30 173.94 3iox s GLU 701 N 1.97 2.35 0.62 5.12 8.01 0.46 -1.88 118.70 135.35 3iox s GLU 701 Ca 0.02 -1.70 0.38 0.00 0.01 0.00 0.00 54.97 53.69 3iox s GLU 701 Cb -0.15 -2.51 2.05 0.00 -4.31 0.00 0.00 34.13 29.22 3iox s GLU 701 CO -0.07 -0.71 2.26 1.12 0.01 0.00 0.00 175.26 177.87 3iox h HIS 702 N 0.41 0.00 0.00 1.61 2.07 -1.96 -3.01 115.15 114.27 3iox h HIS 702 Ca -0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 3iox h HIS 702 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 3iox h HIS 702 CO 0.57 0.02 0.00 0.27 -3.07 0.00 0.00 177.93 175.72 3iox n ASN 703 N -3.28 1.02 -3.85 3.10 6.94 -1.26 -4.52 115.26 113.41 3iox n ASN 703 Ca -0.02 -1.20 -0.12 0.00 -0.02 0.00 0.00 54.58 53.21 3iox n ASN 703 Cb 0.13 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 3iox n ASN 703 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3iox s SER 704 N -0.20 -0.03 -0.10 0.53 0.15 -1.14 -1.48 113.70 111.43 3iox s SER 704 Ca 0.00 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.73 3iox s SER 704 Cb 0.00 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 3iox s SER 704 CO 0.00 -0.03 -0.11 -0.63 1.20 0.00 0.00 173.24 173.68 3iox s ILE 705 N 0.14 1.16 -0.12 6.45 1.01 -0.26 -0.40 121.20 129.18 3iox s ILE 705 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3iox s ILE 705 Cb -0.02 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3iox s ILE 705 CO -0.00 0.38 0.26 -0.70 0.00 0.00 0.00 174.94 174.87 3iox s GLU 706 N 1.19 3.94 0.16 2.79 2.12 -0.04 -1.06 118.70 127.82 3iox s GLU 706 Ca -0.04 0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.22 3iox s GLU 706 Cb -0.14 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.95 3iox s GLU 706 CO -0.03 0.50 0.38 0.00 -0.54 0.00 0.00 175.26 175.57 3iox s MET 707 N -0.31 1.20 0.00 4.30 0.23 -0.24 -4.57 119.30 119.92 3iox s MET 707 Ca 0.17 -0.97 0.06 0.00 -1.03 0.00 0.00 55.69 53.92 3iox s MET 707 Cb -0.13 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 3iox s MET 707 CO 0.05 -0.47 -0.19 0.00 -2.03 0.00 0.00 175.02 172.39 3iox s ALA 708 N -3.90 2.52 0.31 3.16 0.00 -0.60 -1.72 121.76 121.54 3iox s ALA 708 Ca 0.11 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 3iox s ALA 708 Cb 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3iox s ALA 708 CO -0.04 0.56 0.62 -1.59 0.00 0.00 0.00 175.76 175.31 3iox s LYS 709 N -1.08 1.86 -1.30 0.00 -2.85 0.78 -0.28 119.74 116.87 3iox s LYS 709 Ca 0.13 -1.34 -0.14 0.00 -1.00 0.00 0.00 55.97 53.62 3iox s LYS 709 Cb -0.10 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 3iox s LYS 709 CO 0.03 -0.82 0.54 -0.25 0.10 0.00 0.00 175.35 174.94 3iox n ASP 710 N -0.88 -2.53 -4.71 0.03 8.00 -1.24 -0.81 116.55 114.41 3iox n ASP 710 Ca -0.04 -1.11 -0.28 0.00 0.71 0.00 0.00 54.79 54.08 3iox n ASP 710 Cb 0.61 -2.67 -0.07 0.00 -0.02 0.00 0.00 41.12 38.96 3iox n ASP 710 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3iox s TYR 711 N -3.77 2.99 0.34 1.24 -0.85 -1.26 -4.04 117.35 112.00 3iox s TYR 711 Ca 0.26 -0.05 -0.11 0.00 -0.52 0.00 0.00 57.07 56.65 3iox s TYR 711 Cb -0.11 -1.48 -0.07 0.00 0.38 0.00 0.00 41.96 40.67 3iox s TYR 711 CO 0.91 0.50 0.69 -1.54 -1.52 0.00 0.00 175.55 174.60 3iox s SER 712 N -2.71 6.59 0.00 -0.18 1.04 -0.19 -4.94 113.70 113.31 3iox s SER 712 Ca 0.28 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.77 3iox s SER 712 Cb -0.11 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3iox s SER 712 CO 0.20 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.77 3iox n GLY 713 N -0.80 -3.24 3.21 7.32 0.00 -1.26 -4.80 105.19 105.61 3iox n GLY 713 Ca 0.02 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 3iox n GLY 713 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iox s LYS 714 N -0.68 2.62 0.27 1.61 2.20 -0.36 -4.92 119.74 120.48 3iox s LYS 714 Ca 0.00 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.50 3iox s LYS 714 Cb 0.00 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 34.14 3iox s LYS 714 CO 0.00 0.24 1.22 0.12 -0.36 0.00 0.00 175.35 176.57 3iox s PHE 715 N 0.17 3.33 -0.14 4.03 5.36 -1.26 -0.25 117.98 129.22 3iox s PHE 715 Ca -0.12 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3iox s PHE 715 Cb -0.16 -3.49 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 3iox s PHE 715 CO 0.06 -1.29 -0.12 0.08 -1.46 0.00 0.00 175.22 172.49 3iox s VAL 716 N -0.77 1.40 0.46 3.12 1.01 0.77 -4.90 120.40 121.48 3iox s VAL 716 Ca 0.49 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 3iox s VAL 716 Cb -0.35 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 3iox s VAL 716 CO 0.44 0.40 0.98 -0.75 0.00 0.00 0.00 175.10 176.16 3iox s LYS 717 N 1.55 4.07 -0.21 2.72 2.20 -1.26 -2.08 119.74 126.73 3iox s LYS 717 Ca 0.04 1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 56.74 3iox s LYS 717 Cb -0.13 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 3iox s LYS 717 CO -0.10 -0.17 0.06 0.42 -0.36 0.00 0.00 175.35 175.20 3iox s ILE 718 N -2.21 4.47 0.21 5.43 1.01 -1.26 -1.39 121.20 127.46 3iox s ILE 718 Ca 0.63 -0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.82 3iox s ILE 718 Cb -0.11 -3.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.18 3iox s ILE 718 CO 0.18 0.40 1.59 -1.20 0.00 0.00 0.00 174.94 175.91 3iox n SER 719 N 4.24 3.43 0.00 3.58 7.64 0.31 -1.86 113.62 130.95 3iox n SER 719 Ca -0.16 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.82 3iox n SER 719 Cb 0.52 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3iox n SER 719 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iox n GLY 720 N 3.11 2.67 3.77 0.23 0.00 -1.26 -0.58 105.19 113.12 3iox n GLY 720 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3iox n GLY 720 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iox s SER 721 N -1.71 5.10 0.23 1.61 0.15 -0.78 -4.92 113.70 113.39 3iox s SER 721 Ca 0.00 2.02 0.26 0.00 0.70 0.00 0.00 55.95 58.93 3iox s SER 721 Cb 0.00 -2.55 0.81 0.00 -1.71 0.00 0.00 66.02 62.57 3iox s SER 721 CO 0.00 -1.64 1.76 0.77 1.20 0.00 0.00 173.24 175.34 3iox h SER 722 N 0.07 0.00 -3.36 5.45 4.64 -1.42 -3.45 113.55 115.48 3iox h SER 722 Ca -0.47 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.29 3iox h SER 722 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 3iox h SER 722 CO 0.54 0.00 0.17 -0.63 -0.87 0.00 0.00 176.83 176.04 3iox s ILE 723 N -3.14 5.00 0.00 0.95 -1.09 -1.26 -3.50 121.20 118.16 3iox s ILE 723 Ca 0.10 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 3iox s ILE 723 Cb 0.12 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3iox s ILE 723 CO 0.58 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 3iox n GLY 724 N 3.16 3.95 3.10 6.18 0.00 -0.28 -4.69 105.19 116.62 3iox n GLY 724 Ca 0.01 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 3iox n GLY 724 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iox s GLU 725 N -1.99 1.68 -0.17 1.61 -6.30 -1.26 -1.92 118.70 110.35 3iox s GLU 725 Ca 0.00 -0.55 -0.07 0.00 -2.50 0.00 0.00 54.97 51.85 3iox s GLU 725 Cb 0.00 -1.45 0.07 0.00 0.00 0.00 0.00 34.13 32.75 3iox s GLU 725 CO 0.00 0.20 0.38 0.21 0.02 0.00 0.00 175.26 176.06 3iox s LYS 726 N 0.15 0.31 -1.43 4.30 2.20 0.14 -4.93 119.74 120.46 3iox s LYS 726 Ca -0.05 0.87 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 3iox s LYS 726 Cb -0.12 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.38 3iox s LYS 726 CO 0.02 -0.22 0.98 0.09 -0.36 0.00 0.00 175.35 175.86 3iox n ASN 727 N 4.95 -4.30 -0.01 1.43 3.02 -1.26 -1.80 115.26 117.29 3iox n ASN 727 Ca -0.14 -0.73 -0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3iox n ASN 727 Cb 0.52 -4.24 -0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3iox n ASN 727 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iox n GLY 728 N -1.71 0.42 3.22 7.41 0.00 -1.26 -5.02 105.19 108.25 3iox n GLY 728 Ca -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3iox n GLY 728 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iox s MET 729 N -0.45 1.97 -0.29 1.61 -1.94 -0.74 -3.61 119.30 115.85 3iox s MET 729 Ca 0.00 -0.77 -0.08 0.00 -1.71 0.00 0.00 55.69 53.13 3iox s MET 729 Cb 0.00 -1.79 -0.00 0.00 2.01 0.00 0.00 34.83 35.05 3iox s MET 729 CO 0.00 0.40 0.10 0.42 -0.01 0.00 0.00 175.02 175.92 3iox s ILE 730 N -0.30 4.19 0.15 2.53 1.01 0.61 -0.69 121.20 128.71 3iox s ILE 730 Ca 0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 3iox s ILE 730 Cb -0.11 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.30 3iox s ILE 730 CO 0.01 0.11 0.84 0.00 0.00 0.00 0.00 174.94 175.90 3iox n TYR 731 N 4.91 -1.23 -2.34 3.97 0.18 -0.81 -1.55 117.16 120.29 3iox n TYR 731 Ca -0.15 -1.05 -0.36 0.00 1.88 0.00 0.00 57.90 58.23 3iox n TYR 731 Cb 0.49 0.51 -0.04 0.00 -0.38 0.00 0.00 39.34 39.92 3iox n TYR 731 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iox s ALA 732 N -1.85 2.32 0.20 -3.48 0.00 -1.26 -1.12 121.76 116.57 3iox s ALA 732 Ca 0.19 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 3iox s ALA 732 Cb -0.02 -4.48 0.13 0.00 0.00 0.00 0.00 23.12 18.75 3iox s ALA 732 CO 0.05 -3.99 1.53 1.79 0.00 0.00 0.00 175.76 175.14 3iox h THR 733 N 6.85 1.31 0.00 0.00 1.35 -1.85 -3.38 112.91 117.19 3iox h THR 733 Ca 0.05 -1.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.17 3iox h THR 733 Cb 1.03 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 3iox h THR 733 CO 1.32 0.53 -1.69 0.47 -0.25 0.00 0.00 175.52 175.90 3iox n ASP 734 N -3.99 1.84 -4.15 5.36 8.00 -1.26 -5.05 116.55 117.29 3iox n ASP 734 Ca -0.03 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 3iox n ASP 734 Cb 0.57 1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 43.03 3iox n ASP 734 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iox s THR 735 N -2.82 0.04 0.79 -3.53 -4.23 -1.26 -4.94 115.64 99.70 3iox s THR 735 Ca -0.05 -1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 3iox s THR 735 Cb 0.08 -2.26 0.11 0.00 1.34 0.00 0.00 72.50 71.78 3iox s THR 735 CO 0.56 -0.20 1.11 -0.76 -0.54 0.00 0.00 174.62 174.80 3iox s LEU 736 N -3.09 2.79 0.00 4.79 1.43 -0.49 -4.75 118.68 119.37 3iox s LEU 736 Ca 0.31 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3iox s LEU 736 Cb 0.06 -2.68 0.07 0.00 0.03 0.00 0.00 46.19 43.67 3iox s LEU 736 CO 0.07 -1.99 0.98 -0.46 0.23 0.00 0.00 176.35 175.17 3iox n ASN 737 N -3.18 0.14 -0.06 2.29 0.23 -0.79 -3.45 115.26 110.44 3iox n ASN 737 Ca 0.11 -1.90 -0.05 0.00 -0.53 0.00 0.00 54.58 52.21 3iox n ASN 737 Cb 0.60 -0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 38.08 3iox n ASN 737 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3iox h PHE 738 N 0.17 0.00 -3.60 -2.53 3.57 -1.79 -3.35 116.94 109.42 3iox h PHE 738 Ca -0.05 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 61.01 3iox h PHE 738 Cb 1.44 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.86 3iox h PHE 738 CO 0.07 0.34 -0.79 0.21 -2.23 0.00 0.00 178.31 175.90 3iox s LYS 739 N -1.86 1.08 0.14 1.11 2.20 -1.26 -0.38 119.74 120.78 3iox s LYS 739 Ca -0.08 -0.26 -0.35 0.00 -0.36 0.00 0.00 55.97 54.92 3iox s LYS 739 Cb -0.00 -0.99 -0.15 0.00 -1.51 0.00 0.00 37.83 35.18 3iox s LYS 739 CO 0.23 0.03 1.38 0.94 -0.36 0.00 0.00 175.35 177.57 3iox n GLN 740 N 3.67 1.51 -0.19 4.03 7.27 -1.21 -1.15 117.38 131.31 3iox n GLN 740 Ca -0.22 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.39 3iox n GLN 740 Cb 0.52 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 30.98 3iox n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iox n GLY 741 N 2.62 1.95 3.47 1.69 0.00 -0.33 -4.96 105.19 109.62 3iox n GLY 741 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3iox n GLY 741 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iox s GLU 742 N -0.23 3.51 -1.68 1.61 2.02 -0.30 -4.46 118.70 119.17 3iox s GLU 742 Ca 0.00 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3iox s GLU 742 Cb 0.00 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3iox s GLU 742 CO 0.00 -0.33 0.12 0.41 0.02 0.00 0.00 175.26 175.48 3iox n GLY 743 N 4.98 -0.46 2.47 -1.39 0.00 -1.26 -2.48 105.19 107.05 3iox n GLY 743 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3iox n GLY 743 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iox n GLY 744 N -1.12 0.87 3.74 -0.02 0.00 -1.26 -1.39 105.19 106.02 3iox n GLY 744 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3iox n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iox s SER 745 N -2.84 6.58 0.10 1.61 0.15 -1.03 -4.80 113.70 113.47 3iox s SER 745 Ca 0.00 2.73 0.06 0.00 0.70 0.00 0.00 55.95 59.44 3iox s SER 745 Cb 0.00 -2.62 -0.22 0.00 -1.71 0.00 0.00 66.02 61.47 3iox s SER 745 CO 0.00 -0.76 1.21 -0.09 1.20 0.00 0.00 173.24 174.80 3iox h ARG 746 N 5.12 0.03 -4.45 5.44 2.43 -1.88 -0.88 114.38 120.20 3iox h ARG 746 Ca -0.46 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 58.46 3iox h ARG 746 Cb 1.22 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 3iox h ARG 746 CO 0.79 0.99 -0.66 -1.58 -1.51 0.00 0.00 179.97 178.00 3iox s TRP 747 N -2.69 0.83 -0.09 2.20 0.51 -1.26 -4.78 118.94 113.66 3iox s TRP 747 Ca -0.00 -1.13 -0.16 0.00 -2.12 0.00 0.00 56.10 52.68 3iox s TRP 747 Cb 0.09 -0.49 -0.05 0.00 -0.81 0.00 0.00 33.47 32.21 3iox s TRP 747 CO 0.83 -0.40 0.42 0.99 -0.51 0.00 0.00 176.95 178.28 3iox s THR 748 N -3.92 5.15 0.40 2.01 2.01 -1.26 -3.32 115.64 116.71 3iox s THR 748 Ca 0.19 0.84 0.28 0.00 0.31 0.00 0.00 61.69 63.31 3iox s THR 748 Cb 0.07 -3.75 0.30 0.00 0.01 0.00 0.00 72.50 69.14 3iox s THR 748 CO -0.02 0.42 2.07 0.00 -0.69 0.00 0.00 174.62 176.41 3iox h MET 749 N 6.04 0.00 -6.32 4.92 -0.00 -0.85 0.28 114.93 119.01 3iox h MET 749 Ca -0.44 0.00 -0.59 0.00 -0.00 0.00 0.00 59.70 58.66 3iox h MET 749 Cb 1.19 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.68 3iox h MET 749 CO 0.71 0.11 -0.66 1.52 -0.00 0.00 0.00 176.91 178.59 3iox s TYR 750 N -4.14 2.80 0.18 -0.10 -0.85 -1.26 -2.59 117.35 111.38 3iox s TYR 750 Ca -0.03 -0.16 -0.31 0.00 -0.52 0.00 0.00 57.07 56.06 3iox s TYR 750 Cb 0.13 -1.33 -0.09 0.00 0.38 0.00 0.00 41.96 41.05 3iox s TYR 750 CO 0.58 0.54 1.38 0.21 -1.52 0.00 0.00 175.55 176.74 3iox s LYS 751 N -3.09 4.33 0.00 -3.49 2.47 -1.26 -1.74 119.74 116.95 3iox s LYS 751 Ca 0.28 2.13 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 3iox s LYS 751 Cb -0.09 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 3iox s LYS 751 CO 0.19 -0.38 0.00 0.27 0.16 0.00 0.00 175.35 175.59 3iox n ASN 752 N 3.15 0.00 0.00 1.43 0.23 -1.26 -4.88 115.26 113.93 3iox n ASN 752 Ca 0.09 -0.02 0.09 0.00 -0.53 0.00 0.00 54.58 54.21 3iox n ASN 752 Cb 0.42 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.51 3iox n ASN 752 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3iox n SER 753 N -0.03 0.00 -4.81 0.53 7.64 -1.26 -4.83 113.62 110.85 3iox n SER 753 Ca 0.00 0.49 -0.35 0.00 1.01 0.00 0.00 58.87 60.02 3iox n SER 753 Cb 0.00 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 3iox n SER 753 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3iox s GLN 754 N -2.99 4.28 0.40 1.43 -0.21 -1.26 -5.04 119.66 116.27 3iox s GLN 754 Ca 0.09 1.00 -0.26 0.00 0.02 0.00 0.00 55.36 56.22 3iox s GLN 754 Cb 0.12 -2.59 -0.08 0.00 1.00 0.00 0.00 33.01 31.45 3iox s GLN 754 CO 0.33 0.21 1.24 0.00 -2.12 0.00 0.00 175.29 174.95 3iox s ALA 755 N -1.81 3.20 0.00 6.09 0.00 -1.26 -2.52 121.76 125.46 3iox s ALA 755 Ca 0.52 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3iox s ALA 755 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3iox s ALA 755 CO 0.19 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3iox n GLY 756 N 0.67 1.21 3.75 0.00 0.00 -1.26 -4.88 105.19 104.67 3iox n GLY 756 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3iox n GLY 756 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iox s SER 757 N -3.02 4.42 -0.17 1.61 1.04 -1.05 -3.87 113.70 112.67 3iox s SER 757 Ca 0.00 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.45 3iox s SER 757 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3iox s SER 757 CO 0.00 -2.09 0.03 0.61 0.98 0.00 0.00 173.24 172.77 3iox n GLY 758 N -0.50 0.41 0.25 7.32 0.00 0.99 -4.59 105.19 109.07 3iox n GLY 758 Ca 0.11 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3iox n GLY 758 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3iox h TRP 759 N -0.07 0.00 -0.67 1.61 5.08 -1.53 -3.33 115.95 117.04 3iox h TRP 759 Ca -0.05 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 59.19 3iox h TRP 759 Cb 1.04 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.11 3iox h TRP 759 CO 0.06 0.14 2.73 -3.47 -1.28 0.00 0.00 178.44 176.61 3iox n ASP 760 N -3.78 5.58 -3.84 0.11 2.03 -1.07 -3.71 116.55 111.87 3iox n ASP 760 Ca -0.02 -2.94 -0.10 0.00 0.52 0.00 0.00 54.79 52.24 3iox n ASP 760 Cb 0.24 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.02 3iox n ASP 760 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3iox s SER 761 N 1.79 0.03 0.32 1.67 1.04 -1.25 -4.98 113.70 112.32 3iox s SER 761 Ca 0.48 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.55 3iox s SER 761 Cb 0.14 0.30 0.58 0.00 0.10 0.00 0.00 66.02 67.13 3iox s SER 761 CO -0.05 -0.57 1.93 0.77 0.98 0.00 0.00 173.24 176.30 3iox h SER 762 N 3.40 0.84 -0.49 7.02 4.64 -1.94 -2.86 113.55 124.15 3iox h SER 762 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3iox h SER 762 Cb 1.19 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3iox h SER 762 CO 0.49 0.55 0.00 0.47 -0.87 0.00 0.00 176.83 177.47 3iox n ASP 763 N -4.48 4.03 -4.71 4.97 8.00 -1.26 -4.98 116.55 118.12 3iox n ASP 763 Ca 0.12 -2.41 -0.42 0.00 0.71 0.00 0.00 54.79 52.79 3iox n ASP 763 Cb 0.18 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 3iox n ASP 763 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iox s ALA 764 N -1.76 3.50 0.39 2.24 0.00 -1.08 -4.90 121.76 120.15 3iox s ALA 764 Ca 0.41 0.93 0.12 0.00 0.00 0.00 0.00 51.96 53.43 3iox s ALA 764 Cb 0.27 -3.51 0.94 0.00 0.00 0.00 0.00 23.12 20.82 3iox s ALA 764 CO 0.19 -0.61 1.89 -1.35 0.00 0.00 0.00 175.76 175.89 3iox h PRO 765 N 7.04 0.53 -0.73 0.00 0.11 -1.91 -1.93 132.00 135.11 3iox h PRO 765 Ca -0.41 -0.03 -0.46 0.00 0.11 0.00 0.00 66.00 65.21 3iox h PRO 765 Cb 1.20 -0.12 -0.26 0.00 0.11 0.00 0.00 31.00 31.93 3iox h PRO 765 CO 0.85 0.35 0.15 0.27 -0.21 0.00 0.00 178.00 179.42 3iox n ASN 766 N -4.52 4.72 0.20 -2.05 6.94 -1.26 -4.60 115.26 114.68 3iox n ASN 766 Ca 0.16 -3.76 0.14 0.00 -0.02 0.00 0.00 54.58 51.11 3iox n ASN 766 Cb 0.51 -0.70 0.65 0.00 -2.36 0.00 0.00 39.78 37.87 3iox n ASN 766 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3iox h SER 767 N 1.55 0.00 0.21 0.53 4.64 -1.42 -1.69 113.55 117.36 3iox h SER 767 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3iox h SER 767 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3iox h SER 767 CO 0.94 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 174.23 3iox n TRP 768 N -2.53 0.71 0.28 4.77 4.27 -1.26 -2.03 117.44 121.64 3iox n TRP 768 Ca 0.00 0.34 0.15 0.00 -3.89 0.00 0.00 57.50 54.11 3iox n TRP 768 Cb 0.18 -1.05 0.81 0.00 -1.36 0.00 0.00 31.31 29.90 3iox n TRP 768 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3iox h TYR 769 N 0.00 0.00 -0.05 -2.67 3.20 -1.66 -2.26 116.97 113.53 3iox h TYR 769 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3iox h TYR 769 Cb 0.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3iox h TYR 769 CO 0.00 0.08 -0.20 0.41 -1.64 0.00 0.00 178.16 176.80 3iox n GLY 770 N -0.68 4.93 3.31 1.82 0.00 -0.86 -1.21 105.19 112.50 3iox n GLY 770 Ca -0.02 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 3iox n GLY 770 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iox s ALA 771 N -3.05 1.70 0.00 4.61 0.00 -0.85 -1.67 121.76 122.50 3iox s ALA 771 Ca 0.36 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3iox s ALA 771 Cb 0.33 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.53 3iox s ALA 771 CO -0.01 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.69 3iox n GLY 772 N -0.46 2.78 3.20 0.00 0.00 -0.26 -4.58 105.19 105.87 3iox n GLY 772 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3iox n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iox s ALA 773 N -1.14 -0.00 -0.11 4.61 0.00 -0.88 -2.15 121.76 122.09 3iox s ALA 773 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3iox s ALA 773 Cb 0.00 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.66 3iox s ALA 773 CO 0.00 -0.50 -0.06 0.42 0.00 0.00 0.00 175.76 175.62 3iox s ILE 774 N -3.90 0.92 -0.21 0.00 1.01 0.38 -0.16 121.20 119.24 3iox s ILE 774 Ca 0.08 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 3iox s ILE 774 Cb 0.05 -0.96 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3iox s ILE 774 CO -0.09 0.35 0.92 -0.54 0.00 0.00 0.00 174.94 175.58 3iox s LYS 775 N 1.75 4.26 0.12 2.79 1.02 0.66 -0.46 119.74 129.89 3iox s LYS 775 Ca 0.05 1.16 0.11 0.00 0.02 0.00 0.00 55.97 57.30 3iox s LYS 775 Cb -0.13 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3iox s LYS 775 CO -0.08 -0.49 -0.27 -1.64 -0.92 0.00 0.00 175.35 171.95 3iox s MET 776 N 2.72 1.44 0.06 1.68 -1.94 0.50 -1.23 119.30 122.53 3iox s MET 776 Ca 0.40 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 3iox s MET 776 Cb -0.16 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 3iox s MET 776 CO 0.09 0.46 -0.06 -1.12 -0.01 0.00 0.00 175.02 174.38 3iox s SER 777 N -2.00 0.78 0.00 3.03 0.01 -1.26 -0.12 113.70 114.14 3iox s SER 777 Ca 0.14 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.62 3iox s SER 777 Cb -0.10 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3iox s SER 777 CO 0.06 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.94 3iox n GLY 778 N 0.73 1.14 0.17 3.44 0.00 0.08 -4.80 105.19 105.96 3iox n GLY 778 Ca -0.18 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.10 3iox n GLY 778 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iox h PRO 779 N 0.00 0.00 -4.88 1.61 0.13 -1.88 -2.74 132.00 124.24 3iox h PRO 779 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 3iox h PRO 779 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 3iox h PRO 779 CO 0.00 0.14 -0.78 -0.80 -0.23 0.00 0.00 178.00 176.34 3iox s ASN 780 N -6.08 4.37 0.34 1.44 0.01 -1.26 -4.33 114.94 109.43 3iox s ASN 780 Ca 0.04 -1.19 0.08 0.00 -0.71 0.00 0.00 52.86 51.08 3iox s ASN 780 Cb 0.07 -1.60 -0.07 0.00 0.41 0.00 0.00 41.25 40.07 3iox s ASN 780 CO 0.72 -0.17 -0.07 0.20 -1.51 0.00 0.00 177.10 176.27 3iox s ASN 781 N 1.19 3.54 0.14 -1.22 -0.87 -0.81 -4.98 114.94 111.93 3iox s ASN 781 Ca -0.05 -1.23 -0.24 0.00 -1.57 0.00 0.00 52.86 49.77 3iox s ASN 781 Cb -0.19 -0.32 0.07 0.00 -0.02 0.00 0.00 41.25 40.80 3iox s ASN 781 CO -0.05 -0.28 0.61 -0.72 -2.57 0.00 0.00 177.10 174.09 3iox s TYR 782 N -2.72 -0.54 -0.19 2.20 -0.85 -1.26 -1.09 117.35 112.90 3iox s TYR 782 Ca 0.33 0.37 -0.29 0.00 -0.52 0.00 0.00 57.07 56.96 3iox s TYR 782 Cb 0.04 0.55 0.13 0.00 0.38 0.00 0.00 41.96 43.06 3iox s TYR 782 CO 0.16 -0.83 1.02 0.54 -1.52 0.00 0.00 175.55 174.92 3iox s VAL 783 N -3.59 0.00 -0.15 -3.49 0.11 -0.64 -1.03 120.40 111.61 3iox s VAL 783 Ca 0.01 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3iox s VAL 783 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3iox s VAL 783 CO -0.12 0.00 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.72 3iox s THR 784 N -0.76 3.84 -0.00 5.04 2.01 0.01 -0.59 115.64 125.19 3iox s THR 784 Ca -0.00 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.68 3iox s THR 784 Cb -0.02 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3iox s THR 784 CO -0.01 0.50 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 3iox s VAL 785 N 0.31 1.62 0.05 3.82 1.01 -0.73 -0.15 120.40 126.32 3iox s VAL 785 Ca -0.04 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 3iox s VAL 785 Cb -0.14 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 34.94 3iox s VAL 785 CO 0.03 0.39 0.82 0.61 0.00 0.00 0.00 175.10 176.95 3iox n GLY 786 N 2.40 0.56 3.19 4.51 0.00 -0.70 -1.05 105.19 114.09 3iox n GLY 786 Ca -0.16 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 3iox n GLY 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iox s ALA 787 N -1.71 1.56 -0.00 4.61 0.00 -0.60 -1.08 121.76 124.53 3iox s ALA 787 Ca 0.19 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 3iox s ALA 787 Cb -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3iox s ALA 787 CO 0.02 0.38 0.14 -0.08 0.00 0.00 0.00 175.76 176.21 3iox s THR 788 N -0.42 0.08 0.40 0.00 -1.32 -0.22 -1.34 115.64 112.82 3iox s THR 788 Ca 0.07 -0.63 -0.27 0.00 -1.21 0.00 0.00 61.69 59.64 3iox s THR 788 Cb -0.07 -0.42 -0.10 0.00 -1.51 0.00 0.00 72.50 70.40 3iox s THR 788 CO -0.01 -0.35 1.48 -0.44 -2.21 0.00 0.00 174.62 173.09 3iox s SER 789 N -1.27 6.20 0.39 8.08 0.01 -0.02 -1.10 113.70 126.00 3iox s SER 789 Ca -0.14 3.03 0.12 0.00 1.31 0.00 0.00 55.95 60.27 3iox s SER 789 Cb -0.07 -2.67 0.92 0.00 0.21 0.00 0.00 66.02 64.41 3iox s SER 789 CO 0.01 -0.97 1.91 0.00 0.41 0.00 0.00 173.24 174.61 3iox h ALA 790 N 2.80 1.94 0.00 1.44 0.00 -1.54 -0.05 119.26 123.86 3iox h ALA 790 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iox h ALA 790 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3iox h ALA 790 CO 0.63 -0.14 0.00 1.79 0.00 0.00 0.00 179.25 181.53 3iox h THR 791 N 0.57 0.00 0.00 0.00 1.35 -1.83 -1.31 112.91 111.70 3iox h THR 791 Ca 0.38 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 3iox h THR 791 Cb 0.69 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3iox h THR 791 CO -0.15 0.00 -0.23 0.78 -0.25 0.00 0.00 175.52 175.68 3iox h ASN 792 N 0.00 0.00 0.07 5.36 2.35 -1.35 -3.36 115.58 118.64 3iox h ASN 792 Ca 0.00 -0.02 -0.36 0.00 -0.55 0.00 0.00 56.30 55.36 3iox h ASN 792 Cb 0.11 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 3iox h ASN 792 CO 0.00 0.01 -2.31 0.52 -1.65 0.00 0.00 177.43 174.01 3iox n VAL 793 N -2.71 1.45 -3.68 2.81 0.31 -0.52 -5.05 118.33 110.94 3iox n VAL 793 Ca 0.04 -0.79 -0.10 0.00 -0.01 0.00 0.00 64.34 63.48 3iox n VAL 793 Cb 0.50 -0.76 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 3iox n VAL 793 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iox s MET 794 N -2.51 1.31 0.60 5.55 0.23 -1.04 -5.15 119.30 118.29 3iox s MET 794 Ca -0.14 -0.79 -0.17 0.00 -1.03 0.00 0.00 55.69 53.55 3iox s MET 794 Cb 0.07 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.86 3iox s MET 794 CO 0.78 -0.55 1.13 -2.14 -2.03 0.00 0.00 175.02 172.21 3iox s PRO 795 N -3.85 3.05 0.37 3.16 0.02 -1.26 -4.46 135.00 132.03 3iox s PRO 795 Ca 0.07 1.53 0.08 0.00 0.02 0.00 0.00 61.00 62.70 3iox s PRO 795 Cb -0.01 -1.97 0.80 0.00 0.02 0.00 0.00 34.50 33.35 3iox s PRO 795 CO -0.06 -1.08 1.95 0.28 -0.33 0.00 0.00 177.00 177.77 3iox h VAL 796 N 0.62 0.98 0.00 3.83 2.07 -1.94 -1.93 116.25 119.88 3iox h VAL 796 Ca -0.49 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3iox h VAL 796 Cb 1.26 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3iox h VAL 796 CO 0.55 0.12 0.00 0.77 0.02 0.00 0.00 177.57 179.04 3iox h SER 797 N 0.68 0.00 -0.11 0.57 4.64 -2.02 -2.50 113.55 114.80 3iox h SER 797 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3iox h SER 797 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3iox h SER 797 CO -0.11 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.32 3iox n ASP 798 N -2.82 3.08 -4.87 4.97 8.00 -0.73 -4.99 116.55 119.20 3iox n ASP 798 Ca -0.01 -1.98 -0.32 0.00 0.71 0.00 0.00 54.79 53.19 3iox n ASP 798 Cb 0.13 -0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 3iox n ASP 798 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3iox s MET 799 N -1.84 3.86 0.60 -1.24 -1.94 -0.95 -5.02 119.30 112.77 3iox s MET 799 Ca 0.30 0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 54.53 3iox s MET 799 Cb 0.20 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 3iox s MET 799 CO 0.30 0.20 1.23 -2.14 -0.01 0.00 0.00 175.02 174.60 3iox s PRO 800 N -3.08 2.92 -0.21 2.03 0.02 -1.26 -4.99 135.00 130.43 3iox s PRO 800 Ca 0.50 1.90 -0.07 0.00 0.02 0.00 0.00 61.00 63.36 3iox s PRO 800 Cb -0.11 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3iox s PRO 800 CO 0.22 -1.26 0.05 0.08 -0.33 0.00 0.00 177.00 175.76 3iox s VAL 801 N -1.53 4.50 -0.30 3.83 1.01 -1.26 -4.97 120.40 121.68 3iox s VAL 801 Ca 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3iox s VAL 801 Cb -0.32 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.07 3iox s VAL 801 CO 0.35 0.41 -0.01 -0.69 0.00 0.00 0.00 175.10 175.17 3iox s VAL 802 N 0.87 2.68 -0.08 2.92 1.01 -1.26 -4.40 120.40 122.14 3iox s VAL 802 Ca 0.03 -1.64 -0.38 0.00 0.00 0.00 0.00 61.98 59.99 3iox s VAL 802 Cb -0.14 -2.63 -0.16 0.00 0.00 0.00 0.00 36.38 33.45 3iox s VAL 802 CO 0.02 -0.20 1.56 -2.65 0.00 0.00 0.00 175.10 173.83 3iox n PRO 803 N 4.52 1.25 -0.04 2.72 -0.02 -1.26 -1.26 135.00 140.91 3iox n PRO 803 Ca -0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3iox n PRO 803 Cb 0.43 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3iox n PRO 803 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iox n GLY 804 N 3.39 0.97 3.39 -1.23 0.00 -1.26 -5.05 105.19 105.40 3iox n GLY 804 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3iox n GLY 804 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iox s LYS 805 N -0.66 2.60 -0.33 1.61 1.02 -0.39 -5.10 119.74 118.49 3iox s LYS 805 Ca 0.00 -0.78 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 3iox s LYS 805 Cb 0.00 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 3iox s LYS 805 CO 0.00 0.49 0.51 0.34 -0.92 0.00 0.00 175.35 175.77 3iox s ASP 806 N -0.41 6.34 0.19 2.83 -1.08 -1.26 -4.64 116.67 118.64 3iox s ASP 806 Ca 0.04 0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.34 3iox s ASP 806 Cb -0.12 -2.27 0.82 0.00 -1.46 0.00 0.00 42.92 39.89 3iox s ASP 806 CO 0.02 -0.44 1.55 0.59 0.52 0.00 0.00 175.17 177.41 3iox n ASN 807 N 5.70 0.41 -0.60 -0.34 3.02 -1.26 -1.91 115.26 120.29 3iox n ASN 807 Ca -0.05 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.27 3iox n ASN 807 Cb 0.49 -0.71 0.38 0.00 -0.61 0.00 0.00 39.78 39.33 3iox n ASN 807 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3iox n THR 808 N -1.99 0.00 -1.55 3.41 -2.24 -1.26 -4.39 114.28 106.26 3iox n THR 808 Ca 0.01 -0.31 -0.46 0.00 -2.27 0.00 0.00 64.05 61.02 3iox n THR 808 Cb 0.14 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 3iox n THR 808 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iox n ASP 809 N 0.45 0.86 -4.73 3.42 8.00 -0.80 -4.83 116.55 118.91 3iox n ASP 809 Ca 0.17 1.17 -0.30 0.00 0.71 0.00 0.00 54.79 56.53 3iox n ASP 809 Cb 0.43 -1.22 0.13 0.00 -0.02 0.00 0.00 41.12 40.44 3iox n ASP 809 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iox s GLY 810 N -0.55 1.63 0.22 0.44 0.00 -1.26 -4.87 107.32 102.92 3iox s GLY 810 Ca 0.62 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3iox s GLY 810 CO 0.58 0.47 0.10 -1.59 0.00 0.00 0.00 173.10 172.66 3iox s LYS 811 N -4.93 1.26 0.10 2.90 -2.85 0.22 -4.66 119.74 111.78 3iox s LYS 811 Ca 0.63 -1.66 -0.26 0.00 -1.00 0.00 0.00 55.97 53.67 3iox s LYS 811 Cb -0.18 0.02 -0.06 0.00 -2.06 0.00 0.00 37.83 35.55 3iox s LYS 811 CO 0.57 -0.33 0.81 0.15 0.10 0.00 0.00 175.35 176.65 3iox s LYS 812 N -4.09 4.57 -1.44 1.78 1.02 -1.26 -0.03 119.74 120.29 3iox s LYS 812 Ca 0.37 1.18 -0.10 0.00 0.02 0.00 0.00 55.97 57.43 3iox s LYS 812 Cb 0.07 -3.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.10 3iox s LYS 812 CO 0.11 0.36 2.39 -0.35 -0.92 0.00 0.00 175.35 176.95 3iox n PRO 813 N 2.40 3.63 -4.08 -1.68 -0.04 -1.26 -4.88 135.00 129.08 3iox n PRO 813 Ca -0.03 -2.87 -0.10 0.00 -0.04 0.00 0.00 63.50 60.47 3iox n PRO 813 Cb 0.49 -2.93 -0.09 0.00 -0.04 0.00 0.00 33.50 30.93 3iox n PRO 813 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iox s ASN 814 N 1.80 0.17 -0.20 3.54 2.20 -1.26 -1.16 114.94 120.03 3iox s ASN 814 Ca 0.53 -1.10 -0.28 0.00 -0.94 0.00 0.00 52.86 51.07 3iox s ASN 814 Cb 0.15 0.37 0.12 0.00 -2.00 0.00 0.00 41.25 39.89 3iox s ASN 814 CO -0.06 -0.82 0.96 -0.51 -2.94 0.00 0.00 177.10 173.73 3iox s ILE 815 N -4.03 0.00 -0.08 0.54 2.07 -0.09 -4.81 121.20 114.79 3iox s ILE 815 Ca 0.24 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.51 3iox s ILE 815 Cb 0.06 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 3iox s ILE 815 CO 0.03 0.00 -0.19 0.86 -1.91 0.00 0.00 174.94 173.73 3iox s TRP 816 N -0.55 2.62 0.17 3.50 -0.00 -1.26 -0.79 118.94 122.63 3iox s TRP 816 Ca -0.01 -0.61 -0.20 0.00 -0.00 0.00 0.00 56.10 55.28 3iox s TRP 816 Cb -0.02 -1.69 0.05 0.00 -0.00 0.00 0.00 33.47 31.81 3iox s TRP 816 CO -0.00 -0.15 0.55 1.52 -0.00 0.00 0.00 176.95 178.87 3iox s TYR 817 N -0.09 -0.35 0.03 5.86 -0.85 -0.89 -5.03 117.35 116.02 3iox s TYR 817 Ca -0.04 0.07 -0.08 0.00 -0.52 0.00 0.00 57.07 56.50 3iox s TYR 817 Cb -0.14 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.67 3iox s TYR 817 CO 0.04 -0.86 0.17 -1.54 -1.52 0.00 0.00 175.55 171.84 3iox s SER 818 N -2.80 0.05 -0.22 -0.18 1.04 -1.26 -1.81 113.70 108.52 3iox s SER 818 Ca 0.04 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3iox s SER 818 Cb -0.01 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.43 3iox s SER 818 CO -0.09 -0.50 -0.04 -0.76 0.98 0.00 0.00 173.24 172.83 3iox s LEU 819 N -1.89 2.32 0.00 2.42 1.43 -1.26 -4.62 118.68 117.07 3iox s LEU 819 Ca -0.08 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 3iox s LEU 819 Cb -0.03 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.10 3iox s LEU 819 CO -0.02 -0.24 0.00 -0.46 0.23 0.00 0.00 176.35 175.86 3iox n ASN 820 N 4.73 0.00 -1.48 2.29 0.23 -1.25 -4.87 115.26 114.92 3iox n ASN 820 Ca -0.12 -0.79 0.11 0.00 -0.53 0.00 0.00 54.58 53.25 3iox n ASN 820 Cb 0.45 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.49 3iox n ASN 820 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iox n GLY 821 N 0.00 2.57 3.24 4.83 0.00 0.54 -0.69 105.19 115.69 3iox n GLY 821 Ca 0.00 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3iox n GLY 821 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iox n LYS 822 N 1.44 2.74 -1.71 1.61 4.81 -1.24 -4.63 118.16 121.18 3iox n LYS 822 Ca 0.25 -2.82 -0.43 0.00 -0.87 0.00 0.00 58.31 54.44 3iox n LYS 822 Cb 0.75 -3.40 -0.03 0.00 0.02 0.00 0.00 35.03 32.37 3iox n LYS 822 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3iox n ILE 823 N 6.08 0.22 1.29 3.15 0.13 -1.26 -4.81 119.36 124.16 3iox n ILE 823 Ca 0.50 -0.06 0.13 0.00 -1.10 0.00 0.00 62.75 62.22 3iox n ILE 823 Cb 0.43 -1.82 0.43 0.00 -0.84 0.00 0.00 39.64 37.84 3iox n ILE 823 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 3iox n ARG 824 N 3.40 0.89 -1.06 9.51 5.12 -1.26 -4.91 116.66 128.35 3iox n ARG 824 Ca 0.15 -0.49 -0.31 0.00 -1.93 0.00 0.00 57.85 55.27 3iox n ARG 824 Cb 0.33 -1.49 0.13 0.00 -1.16 0.00 0.00 32.46 30.27 3iox n ARG 824 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iox s ALA 825 N -2.45 1.74 0.28 7.54 0.00 -1.26 -4.21 121.76 123.41 3iox s ALA 825 Ca 0.26 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 3iox s ALA 825 Cb 0.20 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 3iox s ALA 825 CO 0.50 -2.27 0.56 0.14 0.00 0.00 0.00 175.76 174.68 3iox s VAL 826 N -2.82 5.00 -1.64 0.00 -7.23 0.77 -4.46 120.40 110.03 3iox s VAL 826 Ca 0.63 0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 60.78 3iox s VAL 826 Cb -0.19 -3.71 0.13 0.00 0.56 0.00 0.00 36.38 33.16 3iox s VAL 826 CO 0.57 -0.29 0.86 0.59 -0.31 0.00 0.00 175.10 176.52 3iox n ASN 827 N -0.81 -3.82 -4.64 4.85 3.02 -1.26 -4.79 115.26 107.81 3iox n ASN 827 Ca -0.01 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 3iox n ASN 827 Cb 0.54 -3.18 -0.05 0.00 -0.61 0.00 0.00 39.78 36.47 3iox n ASN 827 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iox s VAL 828 N -3.30 4.90 0.26 2.41 1.01 -1.26 -5.02 120.40 119.40 3iox s VAL 828 Ca 0.70 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 3iox s VAL 828 Cb -0.37 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 3iox s VAL 828 CO 0.89 -0.02 1.30 -2.16 0.00 0.00 0.00 175.10 175.12 3iox s PRO 829 N 2.59 4.39 -0.04 2.72 0.04 -1.26 -4.79 135.00 138.64 3iox s PRO 829 Ca 0.32 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.49 3iox s PRO 829 Cb -0.15 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 3iox s PRO 829 CO 0.08 -0.20 -0.04 0.15 0.04 0.00 0.00 177.00 177.03 3iox s LYS 830 N -0.92 2.75 -0.15 4.56 1.02 -1.26 -0.48 119.74 125.27 3iox s LYS 830 Ca 0.53 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.71 3iox s LYS 830 Cb -0.38 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3iox s LYS 830 CO 0.45 0.65 0.73 0.08 -0.92 0.00 0.00 175.35 176.34 3iox s VAL 831 N -0.91 4.97 0.00 3.17 1.01 -1.05 -4.89 120.40 122.69 3iox s VAL 831 Ca 0.15 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.57 3iox s VAL 831 Cb -0.11 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3iox s VAL 831 CO 0.04 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.61 3iox n THR 832 N 4.46 0.00 -3.94 3.92 -2.24 -1.26 -4.26 114.28 110.96 3iox n THR 832 Ca 0.01 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 3iox n THR 832 Cb 0.50 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 3iox n THR 832 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iox s LYS 833 N -0.79 3.57 0.21 -0.78 -0.14 -1.26 -4.62 119.74 115.94 3iox s LYS 833 Ca 0.00 -0.53 -0.20 0.00 -1.36 0.00 0.00 55.97 53.88 3iox s LYS 833 Cb 0.00 -3.13 -0.08 0.00 -1.68 0.00 0.00 37.83 32.93 3iox s LYS 833 CO 0.00 -0.09 0.72 -2.00 -0.76 0.00 0.00 175.35 173.21 3iox s GLU 834 N 1.29 4.27 -0.12 1.68 2.12 -1.26 -4.55 118.70 122.13 3iox s GLU 834 Ca 0.04 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 3iox s GLU 834 Cb -0.15 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3iox s GLU 834 CO 0.01 0.42 1.29 0.21 -0.54 0.00 0.00 175.26 176.64 3iox s LYS 835 N -1.89 4.26 0.62 4.30 2.20 -1.26 -4.73 119.74 123.24 3iox s LYS 835 Ca 0.42 1.73 -0.16 0.00 -0.36 0.00 0.00 55.97 57.60 3iox s LYS 835 Cb -0.17 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3iox s LYS 835 CO 0.21 -0.64 1.10 -1.25 -0.36 0.00 0.00 175.35 174.40 3iox s PRO 836 N 3.14 3.04 -0.05 4.03 0.04 -1.26 -5.07 135.00 138.86 3iox s PRO 836 Ca 0.57 1.36 0.04 0.00 0.04 0.00 0.00 61.00 63.01 3iox s PRO 836 Cb -0.24 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 3iox s PRO 836 CO 0.18 -1.06 -0.18 0.99 0.04 0.00 0.00 177.00 176.98 3iox s THR 837 N -2.29 1.48 0.09 1.26 2.01 -1.26 -5.01 115.64 111.91 3iox s THR 837 Ca 0.67 -0.73 -0.36 0.00 0.31 0.00 0.00 61.69 61.57 3iox s THR 837 Cb -0.20 -1.28 -0.16 0.00 0.01 0.00 0.00 72.50 70.87 3iox s THR 837 CO 0.38 0.43 1.38 -2.65 -0.69 0.00 0.00 174.62 173.47 3iox n PRO 838 N 3.25 1.27 -1.54 4.92 -0.02 -1.26 -4.90 135.00 136.73 3iox n PRO 838 Ca -0.19 0.46 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 3iox n PRO 838 Cb 0.53 -2.12 0.08 0.00 -0.02 0.00 0.00 33.50 31.97 3iox n PRO 838 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iox s PRO 839 N 0.62 2.30 -0.24 0.52 0.04 -1.26 -4.98 135.00 132.01 3iox s PRO 839 Ca 0.84 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 63.47 3iox s PRO 839 Cb -0.92 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 3iox s PRO 839 CO 0.46 -1.72 0.57 0.08 0.04 0.00 0.00 177.00 176.43 3iox s VAL 840 N -1.90 5.04 0.02 -0.36 1.01 -1.26 -5.04 120.40 117.93 3iox s VAL 840 Ca 0.75 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3iox s VAL 840 Cb -0.30 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3iox s VAL 840 CO 0.43 0.09 1.25 -0.75 0.00 0.00 0.00 175.10 176.12 3iox s LYS 841 N 2.17 4.38 0.86 2.72 2.20 -1.26 -4.90 119.74 125.91 3iox s LYS 841 Ca 0.24 1.81 -0.11 0.00 -0.36 0.00 0.00 55.97 57.54 3iox s LYS 841 Cb -0.16 -3.43 0.11 0.00 -1.51 0.00 0.00 37.83 32.84 3iox s LYS 841 CO 0.09 -0.38 1.09 -1.25 -0.36 0.00 0.00 175.35 174.55 3iox s PRO 842 N 1.60 1.54 -0.19 4.03 0.04 -1.26 -5.04 135.00 135.72 3iox s PRO 842 Ca 0.59 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.40 3iox s PRO 842 Cb -0.29 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 3iox s PRO 842 CO 0.27 -2.05 0.04 0.99 0.04 0.00 0.00 177.00 176.29 3iox s THR 843 N -2.97 4.47 0.33 1.26 2.01 -1.26 -5.04 115.64 114.42 3iox s THR 843 Ca 0.63 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 3iox s THR 843 Cb -0.17 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 3iox s THR 843 CO 0.56 0.44 1.39 0.00 -0.69 0.00 0.00 174.62 176.32 3iox s ALA 844 N 0.68 3.55 0.64 7.40 0.00 -1.26 -4.95 121.76 127.82 3iox s ALA 844 Ca 0.02 1.37 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 3iox s ALA 844 Cb -0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3iox s ALA 844 CO 0.02 -0.78 1.26 -2.30 0.00 0.00 0.00 175.76 173.96 3iox n PRO 845 N 1.04 1.14 -2.24 0.00 -0.02 -1.26 -4.94 135.00 128.72 3iox n PRO 845 Ca 0.02 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3iox n PRO 845 Cb 0.41 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3iox n PRO 845 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iox s THR 846 N -1.39 3.27 0.33 3.45 2.01 -1.26 -4.95 115.64 117.10 3iox s THR 846 Ca 0.81 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.57 3iox s THR 846 Cb -0.39 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.33 3iox s THR 846 CO 0.42 0.15 1.28 0.29 -0.69 0.00 0.00 174.62 176.06 3iox n LYS 847 N 2.72 2.06 -1.98 4.92 5.02 -1.26 -4.91 118.16 124.73 3iox n LYS 847 Ca 0.06 0.72 -0.40 0.00 -2.02 0.00 0.00 58.31 56.68 3iox n LYS 847 Cb 0.43 -2.29 -0.00 0.00 -0.02 0.00 0.00 35.03 33.15 3iox n LYS 847 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3iox s PRO 848 N -1.73 3.93 -0.45 1.97 0.04 -1.26 -4.97 135.00 132.54 3iox s PRO 848 Ca 0.57 2.26 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 3iox s PRO 848 Cb -0.59 -2.77 0.04 0.00 0.04 0.00 0.00 34.50 31.23 3iox s PRO 848 CO 0.61 -0.56 0.43 0.99 0.04 0.00 0.00 177.00 178.52 3iox s THR 849 N -1.23 5.12 0.07 1.26 2.01 -1.26 -5.06 115.64 116.55 3iox s THR 849 Ca 0.57 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3iox s THR 849 Cb -0.40 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 3iox s THR 849 CO 0.52 -0.51 0.21 -0.31 -0.69 0.00 0.00 174.62 173.85 3iox s TYR 850 N 2.02 3.50 0.14 4.92 4.12 -1.26 -4.88 117.35 125.91 3iox s TYR 850 Ca 0.09 0.23 0.08 0.00 0.02 0.00 0.00 57.07 57.50 3iox s TYR 850 Cb -0.19 -1.75 -0.04 0.00 -1.52 0.00 0.00 41.96 38.46 3iox s TYR 850 CO 0.11 0.58 -0.10 -1.21 0.02 0.00 0.00 175.55 174.95 3iox s GLU 851 N -2.56 2.07 0.09 -0.62 2.02 -1.26 -5.12 118.70 113.31 3iox s GLU 851 Ca 0.35 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 3iox s GLU 851 Cb -0.13 -2.23 -0.06 0.00 0.10 0.00 0.00 34.13 31.82 3iox s GLU 851 CO 0.28 0.47 0.44 0.95 0.02 0.00 0.00 175.26 177.42 3iox s THR 852 N -1.42 5.03 0.52 3.63 -4.23 -1.26 -4.96 115.64 112.95 3iox s THR 852 Ca 0.23 0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 61.15 3iox s THR 852 Cb -0.10 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 3iox s THR 852 CO 0.14 0.30 0.98 -1.61 -0.54 0.00 0.00 174.62 173.88 3iox s GLU 853 N -1.87 3.89 0.03 3.99 2.02 -1.26 -5.06 118.70 120.44 3iox s GLU 853 Ca 0.34 0.89 0.02 0.00 0.02 0.00 0.00 54.97 56.24 3iox s GLU 853 Cb -0.14 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 3iox s GLU 853 CO 0.18 -0.29 0.04 0.15 0.02 0.00 0.00 175.26 175.36 3iox s LYS 854 N -4.20 2.84 0.50 1.61 3.01 -1.26 -5.10 119.74 117.14 3iox s LYS 854 Ca 0.58 -0.63 -0.19 0.00 -1.01 0.00 0.00 55.97 54.72 3iox s LYS 854 Cb -0.10 -2.71 -0.08 0.00 -1.01 0.00 0.00 37.83 33.93 3iox s LYS 854 CO 0.34 0.61 1.01 -1.25 0.51 0.00 0.00 175.35 176.57 3iox s PRO 855 N -1.89 3.81 0.69 -1.68 0.04 -1.26 -4.95 135.00 129.77 3iox s PRO 855 Ca 0.23 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 3iox s PRO 855 Cb -0.12 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3iox s PRO 855 CO 0.15 -0.40 1.06 -0.51 0.04 0.00 0.00 177.00 177.34 3iox s LEU 856 N -3.74 3.16 0.12 -3.56 1.43 -1.26 -5.03 118.68 109.81 3iox s LEU 856 Ca 0.64 1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 55.23 3iox s LEU 856 Cb -0.14 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.51 3iox s LEU 856 CO 0.24 -1.48 0.59 -0.54 0.23 0.00 0.00 176.35 175.39 3iox s LYS 857 N -4.92 4.14 0.35 1.70 1.02 -1.26 -5.04 119.74 115.73 3iox s LYS 857 Ca 0.59 0.68 -0.27 0.00 0.02 0.00 0.00 55.97 56.99 3iox s LYS 857 Cb -0.15 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 3iox s LYS 857 CO 0.53 0.55 1.22 -1.25 -0.92 0.00 0.00 175.35 175.48 3iox s PRO 858 N -1.52 4.27 0.42 -1.68 0.04 -1.26 -4.96 135.00 130.30 3iox s PRO 858 Ca 0.34 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 63.13 3iox s PRO 858 Cb -0.18 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 3iox s PRO 858 CO 0.19 -0.18 1.20 0.00 0.04 0.00 0.00 177.00 178.25 3iox n ALA 859 N 0.55 0.97 -1.76 8.56 0.00 -1.26 -4.92 120.51 122.65 3iox n ALA 859 Ca 0.02 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 3iox n ALA 859 Cb 0.44 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.70 3iox n ALA 859 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iox s PRO 860 N -2.17 3.33 0.15 0.00 0.04 -1.26 -4.96 135.00 130.14 3iox s PRO 860 Ca 0.62 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 3iox s PRO 860 Cb -0.52 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 3iox s PRO 860 CO 0.57 -0.98 1.11 0.54 0.04 0.00 0.00 177.00 178.29 3iox s VAL 861 N -1.41 3.94 0.31 -0.36 0.11 -1.26 -4.99 120.40 116.74 3iox s VAL 861 Ca 0.69 1.61 -0.29 0.00 -2.93 0.00 0.00 61.98 61.06 3iox s VAL 861 Cb -0.36 -4.03 -0.10 0.00 -1.53 0.00 0.00 36.38 30.36 3iox s VAL 861 CO 0.42 0.25 1.40 0.00 -3.33 0.00 0.00 175.10 173.83 3iox s ALA 862 N 0.02 3.56 0.68 1.54 0.00 -1.26 -4.98 121.76 121.32 3iox s ALA 862 Ca 0.51 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 3iox s ALA 862 Cb -0.29 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.30 3iox s ALA 862 CO 0.34 -0.77 1.10 -1.25 0.00 0.00 0.00 175.76 175.18 3iox s PRO 863 N -1.35 2.73 -0.55 0.00 0.04 -1.26 -4.98 135.00 129.62 3iox s PRO 863 Ca 0.54 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 3iox s PRO 863 Cb -0.42 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.25 3iox s PRO 863 CO 0.52 -1.30 0.72 1.21 0.04 0.00 0.00 177.00 178.19 3iox s ASN 864 N -2.75 6.22 0.63 6.66 3.84 -1.26 -5.04 114.94 123.24 3iox s ASN 864 Ca 0.66 -1.03 -0.16 0.00 0.21 0.00 0.00 52.86 52.55 3iox s ASN 864 Cb -0.20 -2.32 -0.01 0.00 -0.55 0.00 0.00 41.25 38.17 3iox s ASN 864 CO 0.44 -1.06 1.10 -0.31 -2.79 0.00 0.00 177.10 174.48 3iox s TYR 865 N 2.95 2.71 0.39 0.43 1.51 -1.26 -5.00 117.35 119.08 3iox s TYR 865 Ca 0.16 1.54 -0.24 0.00 -1.01 0.00 0.00 57.07 57.52 3iox s TYR 865 Cb -0.20 -3.14 -0.09 0.00 -0.11 0.00 0.00 41.96 38.42 3iox s TYR 865 CO 0.11 -1.55 1.07 -1.21 -1.11 0.00 0.00 175.55 172.86 3iox s GLU 866 N -4.02 4.16 0.36 -0.62 2.02 -1.26 -5.03 118.70 114.31 3iox s GLU 866 Ca 0.67 1.57 -0.17 0.00 0.02 0.00 0.00 54.97 57.06 3iox s GLU 866 Cb -0.20 -2.59 -0.10 0.00 0.10 0.00 0.00 34.13 31.35 3iox s GLU 866 CO 0.39 -0.16 0.81 0.15 0.02 0.00 0.00 175.26 176.48 3iox s LYS 867 N -2.42 4.09 0.47 1.61 1.02 -1.26 -5.01 119.74 118.25 3iox s LYS 867 Ca 0.57 0.84 -0.22 0.00 0.02 0.00 0.00 55.97 57.18 3iox s LYS 867 Cb -0.24 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 3iox s LYS 867 CO 0.30 0.10 1.12 -1.21 -0.92 0.00 0.00 175.35 174.74 3iox s GLU 868 N -3.02 3.73 0.70 1.68 0.41 -1.26 -5.02 118.70 115.93 3iox s GLU 868 Ca 0.57 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.65 3iox s GLU 868 Cb -0.10 -2.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.98 3iox s GLU 868 CO 0.16 -0.54 1.06 -1.25 -0.49 0.00 0.00 175.26 174.20 3iox s PRO 869 N -2.89 2.87 -0.08 0.39 0.04 -1.26 -5.02 135.00 129.05 3iox s PRO 869 Ca 0.65 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 3iox s PRO 869 Cb -0.24 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3iox s PRO 869 CO 0.29 -1.16 0.50 0.99 0.04 0.00 0.00 177.00 177.67 3iox s THR 870 N -3.01 5.11 0.29 1.26 2.01 -1.26 -5.01 115.64 115.03 3iox s THR 870 Ca 0.59 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 3iox s THR 870 Cb -0.14 -3.84 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 3iox s THR 870 CO 0.55 0.37 1.42 -2.65 -0.69 0.00 0.00 174.62 173.61 3iox n PRO 871 N 3.26 2.26 -1.44 4.92 -0.02 -1.26 -4.99 135.00 137.73 3iox n PRO 871 Ca -0.08 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 3iox n PRO 871 Cb 0.52 -2.46 0.10 0.00 -0.02 0.00 0.00 33.50 31.63 3iox n PRO 871 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3iox s PRO 872 N -1.04 2.04 0.06 0.52 0.04 -1.26 -5.07 135.00 130.30 3iox s PRO 872 Ca 0.62 0.80 0.09 0.00 0.04 0.00 0.00 61.00 62.55 3iox s PRO 872 Cb -0.58 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 3iox s PRO 872 CO 0.55 -1.69 -0.25 0.99 0.04 0.00 0.00 177.00 176.64 3iox s THR 873 N -3.05 2.32 -2.58 1.26 2.01 -1.26 -5.04 115.64 109.29 3iox s THR 873 Ca 0.61 -1.43 0.27 0.00 0.31 0.00 0.00 61.69 61.45 3iox s THR 873 Cb -0.16 -1.95 0.49 0.00 0.01 0.00 0.00 72.50 70.90 3iox s THR 873 CO 0.55 0.29 1.67 -1.14 -0.69 0.00 0.00 174.62 175.30