#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux0 h MET 386 N 0.00 0.10 -0.24 4.33 -0.00 -2.06 -2.90 114.93 114.17 2ux0 h MET 386 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.70 59.61 2ux0 h MET 386 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.58 2ux0 h MET 386 CO 0.00 0.36 -0.11 1.79 -0.00 0.00 0.00 176.91 178.95 2ux0 h THR 387 N -0.17 1.20 -0.05 -0.10 1.35 -2.05 -2.97 112.91 110.12 2ux0 h THR 387 Ca 0.02 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.94 2ux0 h THR 387 Cb 0.32 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2ux0 h THR 387 CO 0.00 0.29 -0.17 -0.08 -0.25 0.00 0.00 175.52 175.31 2ux0 h GLU 388 N 0.36 0.20 -0.79 4.72 4.81 -1.99 -1.53 114.58 120.37 2ux0 h GLU 388 Ca 0.07 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2ux0 h GLU 388 Cb 0.42 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2ux0 h GLU 388 CO 0.02 0.78 0.45 -0.44 -0.73 0.00 0.00 179.01 179.09 2ux0 h ASP 389 N -0.35 0.65 -0.56 1.04 3.32 -1.55 -0.82 116.42 118.16 2ux0 h ASP 389 Ca -0.01 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2ux0 h ASP 389 Cb 0.80 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 2ux0 h ASP 389 CO 0.04 0.39 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.80 2ux0 h GLU 390 N 0.78 1.04 -0.58 3.56 4.22 -1.52 -1.34 114.58 120.74 2ux0 h GLU 390 Ca 0.37 -0.37 0.04 0.00 0.08 0.00 0.00 59.36 59.48 2ux0 h GLU 390 Cb 0.29 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2ux0 h GLU 390 CO -0.22 1.06 0.33 0.22 -2.18 0.00 0.00 179.01 178.22 2ux0 h ASP 391 N 0.93 0.51 -0.42 1.04 1.82 -0.68 -1.63 116.42 117.99 2ux0 h ASP 391 Ca 0.15 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2ux0 h ASP 391 Cb 0.64 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2ux0 h ASP 391 CO 0.04 0.35 0.06 0.25 -1.61 0.00 0.00 179.24 178.33 2ux0 h LEU 392 N 0.64 0.67 -0.48 2.28 5.85 -0.88 -2.28 115.31 121.11 2ux0 h LEU 392 Ca 0.25 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.78 2ux0 h LEU 392 Cb 0.10 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 2ux0 h LEU 392 CO -0.14 0.77 0.08 0.50 -0.34 0.00 0.00 178.44 179.31 2ux0 h LYS 393 N 0.55 0.21 -0.28 1.25 3.64 -1.05 -0.97 116.57 119.91 2ux0 h LYS 393 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2ux0 h LYS 393 Cb 0.39 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2ux0 h LYS 393 CO 0.01 0.14 0.15 0.28 -2.27 0.00 0.00 179.45 177.76 2ux0 h VAL 394 N 0.21 1.13 -0.51 2.00 2.07 -1.05 -1.10 116.25 119.00 2ux0 h VAL 394 Ca 0.24 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2ux0 h VAL 394 Cb 0.32 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2ux0 h VAL 394 CO -0.32 0.13 0.21 -0.09 0.02 0.00 0.00 177.57 177.51 2ux0 h ARG 395 N 0.34 0.76 -0.62 1.57 9.65 -1.18 -0.16 114.38 124.74 2ux0 h ARG 395 Ca 0.10 -0.14 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2ux0 h ARG 395 Cb 0.07 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 2ux0 h ARG 395 CO -0.02 0.67 0.29 0.87 2.80 0.00 0.00 179.97 184.58 2ux0 h LYS 396 N 0.69 0.51 -0.19 0.20 1.57 -1.02 -1.63 116.57 116.69 2ux0 h LYS 396 Ca 0.17 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2ux0 h LYS 396 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2ux0 h LYS 396 CO -0.01 0.33 -0.23 0.37 -0.57 0.00 0.00 179.45 179.34 2ux0 h GLN 397 N 0.52 0.34 -0.78 3.15 -0.00 -0.65 -2.21 115.11 115.49 2ux0 h GLN 397 Ca 0.30 -0.11 0.08 0.00 -0.00 0.00 0.00 58.65 58.91 2ux0 h GLN 397 Cb 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.67 2ux0 h GLN 397 CO -0.24 0.55 0.44 1.49 0.00 0.00 0.00 178.83 181.08 2ux0 h GLU 398 N 0.31 0.75 -0.03 1.69 4.81 -0.11 -0.11 114.58 121.90 2ux0 h GLU 398 Ca 0.05 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2ux0 h GLU 398 Cb 0.58 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2ux0 h GLU 398 CO 0.04 0.50 -0.75 0.82 -0.73 0.00 0.00 179.01 178.89 2ux0 h ILE 399 N 0.78 1.45 -0.08 2.32 1.08 -0.87 -2.60 117.51 119.58 2ux0 h ILE 399 Ca 0.36 -2.34 -0.03 0.00 -0.39 0.00 0.00 64.86 62.46 2ux0 h ILE 399 Cb 0.28 2.26 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 2ux0 h ILE 399 CO -0.22 0.68 -0.08 0.40 -0.69 0.00 0.00 178.15 178.24 2ux0 h ILE 400 N 0.12 1.37 -0.39 -0.67 2.04 -0.99 -2.22 117.51 116.77 2ux0 h ILE 400 Ca -0.02 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.67 2ux0 h ILE 400 Cb 1.32 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.34 2ux0 h ILE 400 CO 0.11 0.35 0.02 0.50 0.00 0.00 0.00 178.15 179.13 2ux0 h LYS 401 N -0.22 0.12 -0.17 2.37 1.63 -0.99 0.24 116.57 119.56 2ux0 h LYS 401 Ca 0.01 -0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 2ux0 h LYS 401 Cb 0.60 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 2ux0 h LYS 401 CO 0.02 0.08 -0.55 0.97 -3.45 0.00 0.00 179.45 176.52 2ux0 h ILE 402 N 0.12 1.33 -0.58 2.00 2.10 -1.50 -0.64 117.51 120.35 2ux0 h ILE 402 Ca 0.19 -1.81 0.02 0.00 1.08 0.00 0.00 64.86 64.34 2ux0 h ILE 402 Cb 0.26 1.80 -0.04 0.00 -1.09 0.00 0.00 36.82 37.75 2ux0 h ILE 402 CO -0.30 0.56 0.36 0.74 -1.08 0.00 0.00 178.15 178.42 2ux0 h THR 403 N 0.39 1.08 -0.71 2.19 2.02 -1.03 -0.58 112.91 116.27 2ux0 h THR 403 Ca 0.01 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2ux0 h THR 403 Cb 1.09 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2ux0 h THR 403 CO 0.10 0.13 0.31 -0.33 0.37 0.00 0.00 175.52 176.10 2ux0 h GLU 404 N 0.71 1.03 -0.54 6.66 5.08 -0.31 -1.81 114.58 125.40 2ux0 h GLU 404 Ca 0.23 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2ux0 h GLU 404 Cb 0.00 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2ux0 h GLU 404 CO -0.09 0.82 -0.11 1.96 -1.00 0.00 0.00 179.01 180.59 2ux0 h GLN 405 N 1.02 1.03 -0.74 2.33 4.20 -0.80 -1.40 115.11 120.75 2ux0 h GLN 405 Ca 0.24 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.59 2ux0 h GLN 405 Cb 0.16 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 2ux0 h GLN 405 CO -0.03 1.07 0.48 1.25 -0.67 0.00 0.00 178.83 180.93 2ux0 h LEU 406 N 0.91 0.80 -0.77 1.46 5.85 -0.66 -1.29 115.31 121.61 2ux0 h LEU 406 Ca 0.14 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2ux0 h LEU 406 Cb 0.68 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2ux0 h LEU 406 CO 0.05 0.56 -0.02 0.40 -0.34 0.00 0.00 178.44 179.09 2ux0 h ILE 407 N 0.95 1.26 -0.50 4.05 2.04 -1.16 -1.80 117.51 122.35 2ux0 h ILE 407 Ca 0.29 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2ux0 h ILE 407 Cb -0.04 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2ux0 h ILE 407 CO -0.09 0.39 0.29 -0.33 0.00 0.00 0.00 178.15 178.42 2ux0 h GLU 408 N 0.84 0.68 -0.89 2.37 5.08 -0.70 -1.32 114.58 120.64 2ux0 h GLU 408 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2ux0 h GLU 408 Cb 0.53 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2ux0 h GLU 408 CO 0.03 0.51 0.56 0.00 -1.00 0.00 0.00 179.01 179.11 2ux0 h ALA 409 N 1.14 1.13 0.03 3.43 0.00 -0.90 0.15 119.26 124.23 2ux0 h ALA 409 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ux0 h ALA 409 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2ux0 h ALA 409 CO -0.03 0.56 -0.01 0.82 0.00 0.00 0.00 179.25 180.59 2ux0 h ILE 410 N 1.21 1.15 -0.87 0.00 2.04 -1.16 0.43 117.51 120.31 2ux0 h ILE 410 Ca 0.32 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2ux0 h ILE 410 Cb -0.10 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2ux0 h ILE 410 CO -0.07 0.14 0.56 0.78 0.00 0.00 0.00 178.15 179.56 2ux0 h ASN 411 N -0.27 0.91 1.04 1.72 4.21 -0.89 -1.53 115.58 120.78 2ux0 h ASN 411 Ca -0.00 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 2ux0 h ASN 411 Cb 0.25 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2ux0 h ASN 411 CO 0.01 0.62 0.00 0.59 -1.29 0.00 0.00 177.43 177.35 2ux0 n ASN 412 N -4.56 0.24 -1.19 5.81 3.02 0.01 -4.89 115.26 113.70 2ux0 n ASN 412 Ca 0.11 0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 55.09 2ux0 n ASN 412 Cb 0.11 -0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2ux0 n ASN 412 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ux0 n GLY 413 N 1.19 -0.04 3.43 7.41 0.00 -0.58 -4.58 105.19 112.03 2ux0 n GLY 413 Ca 0.06 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 2ux0 n GLY 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ux0 s ASP 414 N -2.56 6.29 0.25 1.61 3.68 0.05 -4.50 116.67 121.50 2ux0 s ASP 414 Ca 0.01 -1.36 0.12 0.00 2.13 0.00 0.00 52.55 53.45 2ux0 s ASP 414 Cb -0.00 -2.39 0.19 0.00 -1.45 0.00 0.00 42.92 39.27 2ux0 s ASP 414 CO 0.01 -1.27 1.50 0.15 0.13 0.00 0.00 175.17 175.69 2ux0 h PHE 415 N 9.29 0.00 -0.25 -5.34 3.57 -1.94 -1.63 116.94 120.64 2ux0 h PHE 415 Ca -0.18 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 2ux0 h PHE 415 Cb 1.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 2ux0 h PHE 415 CO 0.99 0.67 -0.35 0.93 -2.23 0.00 0.00 178.31 178.32 2ux0 h GLU 416 N 0.00 0.67 -0.56 1.11 3.07 -1.97 0.15 114.58 117.06 2ux0 h GLU 416 Ca -0.01 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 2ux0 h GLU 416 Cb 1.32 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 2ux0 h GLU 416 CO 0.09 1.01 0.35 0.00 -1.40 0.00 0.00 179.01 179.05 2ux0 h ALA 417 N 0.66 0.71 -0.16 3.43 0.00 -1.95 -1.84 119.26 120.10 2ux0 h ALA 417 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ux0 h ALA 417 Cb 0.93 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ux0 h ALA 417 CO 0.08 0.18 0.05 -0.92 0.00 0.00 0.00 179.25 178.64 2ux0 h TYR 418 N 0.75 0.10 0.00 0.00 3.20 -0.98 -2.31 116.97 117.73 2ux0 h TYR 418 Ca 0.20 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2ux0 h TYR 418 Cb -0.04 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2ux0 h TYR 418 CO -0.03 0.05 -0.26 1.79 -1.64 0.00 0.00 178.16 178.07 2ux0 h THR 419 N 0.13 0.87 0.00 1.81 1.35 -0.53 -1.66 112.91 114.89 2ux0 h THR 419 Ca 0.07 -1.00 -0.13 0.00 -0.55 0.00 0.00 66.41 64.80 2ux0 h THR 419 Cb 0.04 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2ux0 h THR 419 CO -0.07 0.25 -0.61 0.11 -0.25 0.00 0.00 175.52 174.96 2ux0 h LYS 420 N 0.00 0.00 0.00 4.72 6.56 -0.87 -3.23 116.57 123.75 2ux0 h LYS 420 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2ux0 h LYS 420 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2ux0 h LYS 420 CO 0.03 0.61 -1.10 -0.89 -2.06 0.00 0.00 179.45 176.04 2ux0 n ILE 421 N -3.81 0.31 -3.98 1.86 5.41 -0.91 -4.90 119.36 113.34 2ux0 n ILE 421 Ca -0.01 -0.37 -0.36 0.00 1.00 0.00 0.00 62.75 63.00 2ux0 n ILE 421 Cb 0.61 -0.03 -0.07 0.00 -0.71 0.00 0.00 39.64 39.44 2ux0 n ILE 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ux0 s ASP 423 N -1.02 6.72 0.62 0.00 2.15 -0.06 -4.80 116.67 120.29 2ux0 s ASP 423 Ca 0.15 2.73 0.38 0.00 0.43 0.00 0.00 52.55 56.23 2ux0 s ASP 423 Cb -0.12 -2.65 2.07 0.00 -0.30 0.00 0.00 42.92 41.92 2ux0 s ASP 423 CO 0.04 -0.58 2.28 -0.65 -0.17 0.00 0.00 175.17 176.09 2ux0 h PRO 424 N 3.40 0.00 -0.63 4.34 0.11 -1.88 -0.67 132.00 136.66 2ux0 h PRO 424 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ux0 h PRO 424 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ux0 h PRO 424 CO 0.66 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2ux0 n GLY 425 N -1.00 1.87 3.61 -0.55 0.00 -1.26 -4.75 105.19 103.11 2ux0 n GLY 425 Ca -0.03 -0.53 -0.53 0.00 0.00 0.00 0.00 46.02 44.94 2ux0 n GLY 425 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ux0 n LEU 426 N 0.55 1.77 -4.73 0.99 7.94 -0.26 -4.90 117.00 118.36 2ux0 n LEU 426 Ca 0.16 1.11 -0.28 0.00 -1.11 0.00 0.00 56.01 55.89 2ux0 n LEU 426 Cb 0.64 -1.18 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 2ux0 n LEU 426 CO 0.16 -0.95 -0.29 0.42 -1.11 0.00 0.00 177.39 175.63 2ux0 s THR 427 N 0.97 4.16 -0.06 1.96 -4.23 -0.93 -1.05 115.64 116.46 2ux0 s THR 427 Ca 0.87 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.24 2ux0 s THR 427 Cb -0.97 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 69.84 2ux0 s THR 427 CO 0.50 -0.02 0.13 -0.55 -0.54 0.00 0.00 174.62 174.13 2ux0 s SER 428 N -2.76 -0.09 -0.22 3.99 0.15 -0.05 -1.87 113.70 112.85 2ux0 s SER 428 Ca 0.28 0.25 -0.08 0.00 0.70 0.00 0.00 55.95 57.10 2ux0 s SER 428 Cb -0.11 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2ux0 s SER 428 CO 0.21 -0.13 0.10 -0.36 1.20 0.00 0.00 173.24 174.26 2ux0 s PHE 429 N 0.97 3.22 0.07 3.44 2.99 0.01 -1.69 117.98 127.00 2ux0 s PHE 429 Ca -0.08 -0.01 -0.26 0.00 0.00 0.00 0.00 56.93 56.58 2ux0 s PHE 429 Cb -0.10 -2.19 0.07 0.00 0.00 0.00 0.00 43.02 40.80 2ux0 s PHE 429 CO -0.05 -0.02 0.64 -1.83 -0.00 0.00 0.00 175.22 173.97 2ux0 s GLU 430 N 0.95 1.18 0.37 0.44 -1.05 -1.26 -0.36 118.70 118.96 2ux0 s GLU 430 Ca 0.05 -0.17 0.13 0.00 -0.15 0.00 0.00 54.97 54.83 2ux0 s GLU 430 Cb -0.14 0.55 0.96 0.00 -0.44 0.00 0.00 34.13 35.06 2ux0 s GLU 430 CO 0.03 -0.46 1.80 -1.35 0.95 0.00 0.00 175.26 176.23 2ux0 h PRO 431 N 2.40 0.52 0.00 -4.83 0.11 -1.89 0.16 132.00 128.48 2ux0 h PRO 431 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2ux0 h PRO 431 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ux0 h PRO 431 CO 0.38 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 2ux0 h GLU 432 N 0.54 0.00 -0.01 1.05 4.39 -1.97 -2.35 114.58 116.23 2ux0 h GLU 432 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2ux0 h GLU 432 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2ux0 h GLU 432 CO -0.29 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 177.47 2ux0 n ALA 433 N -1.85 2.76 -3.64 3.43 0.00 0.04 -4.98 120.51 116.27 2ux0 n ALA 433 Ca 0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.89 2ux0 n ALA 433 Cb 0.34 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.60 2ux0 n ALA 433 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ux0 n LEU 434 N -0.51 -3.32 0.00 0.00 4.77 -0.89 -2.22 117.00 114.83 2ux0 n LEU 434 Ca 0.17 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2ux0 n LEU 434 Cb 0.30 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 2ux0 n LEU 434 CO 0.21 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2ux0 n GLY 435 N -1.72 0.85 3.94 -0.72 0.00 -1.26 -5.04 105.19 101.23 2ux0 n GLY 435 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2ux0 n GLY 435 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ux0 s ASN 436 N -3.01 6.35 -0.17 1.61 0.01 -0.94 -5.07 114.94 113.72 2ux0 s ASN 436 Ca 0.00 0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 52.19 2ux0 s ASN 436 Cb 0.00 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 2ux0 s ASN 436 CO 0.00 0.07 0.57 -0.22 -1.51 0.00 0.00 177.10 176.01 2ux0 s LEU 437 N -3.05 4.19 0.17 0.60 2.96 -1.26 -4.53 118.68 117.76 2ux0 s LEU 437 Ca 0.35 0.82 0.10 0.00 -0.22 0.00 0.00 54.13 55.18 2ux0 s LEU 437 Cb -0.12 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 2ux0 s LEU 437 CO 0.28 -0.16 -0.20 0.68 -1.32 0.00 0.00 176.35 175.64 2ux0 s VAL 438 N 1.40 2.64 -0.54 1.68 -7.23 -0.68 -4.93 120.40 112.74 2ux0 s VAL 438 Ca 0.27 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.34 2ux0 s VAL 438 Cb -0.16 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2ux0 s VAL 438 CO 0.11 -0.06 1.54 -1.83 -0.31 0.00 0.00 175.10 174.55 2ux0 s GLU 439 N -2.57 3.18 0.54 4.82 -1.05 -1.26 -0.87 118.70 121.49 2ux0 s GLU 439 Ca 0.21 0.59 0.27 0.00 -0.15 0.00 0.00 54.97 55.89 2ux0 s GLU 439 Cb -0.09 -4.18 1.44 0.00 -0.44 0.00 0.00 34.13 30.86 2ux0 s GLU 439 CO 0.11 -2.07 1.98 0.78 0.95 0.00 0.00 175.26 177.00 2ux0 h GLY 440 N 13.77 0.00 1.19 -3.83 0.00 -1.39 -2.89 103.07 109.92 2ux0 h GLY 440 Ca -0.27 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.86 2ux0 h GLY 440 CO 1.17 0.00 -0.62 -0.33 0.00 0.00 0.00 176.54 176.76 2ux0 h MET 441 N 0.00 0.83 -0.10 4.80 2.86 -1.85 -1.29 114.93 120.17 2ux0 h MET 441 Ca 0.26 -0.57 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 2ux0 h MET 441 Cb 1.10 0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.85 2ux0 h MET 441 CO -0.00 1.19 -0.51 0.22 1.06 0.00 0.00 176.91 178.87 2ux0 h ASP 442 N 0.61 0.63 0.15 1.22 3.58 -1.91 -3.20 116.42 117.50 2ux0 h ASP 442 Ca -0.01 -0.64 -0.10 0.00 0.42 0.00 0.00 57.03 56.70 2ux0 h ASP 442 Cb 1.23 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2ux0 h ASP 442 CO 0.13 1.17 -0.35 0.15 -2.88 0.00 0.00 179.24 177.46 2ux0 h PHE 443 N 0.13 0.33 0.00 0.28 3.04 -1.51 -3.01 116.94 116.20 2ux0 h PHE 443 Ca -0.03 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.84 2ux0 h PHE 443 Cb 1.16 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.59 2ux0 h PHE 443 CO 0.11 0.61 -0.31 0.45 -2.02 0.00 0.00 178.31 177.15 2ux0 h HIS 444 N 0.25 0.00 -0.97 0.41 3.86 -1.33 -3.31 115.15 114.06 2ux0 h HIS 444 Ca 0.03 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.43 2ux0 h HIS 444 Cb 0.74 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 2ux0 h HIS 444 CO 0.02 0.00 0.61 -0.22 0.86 0.00 0.00 177.93 179.20 2ux0 h LYS 445 N 0.00 0.64 -0.76 2.45 3.64 -1.52 -1.87 116.57 119.15 2ux0 h LYS 445 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2ux0 h LYS 445 Cb 0.92 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 2ux0 h LYS 445 CO 0.00 0.42 0.36 0.35 -2.27 0.00 0.00 179.45 178.31 2ux0 h PHE 446 N 0.65 1.09 0.00 1.91 3.57 -1.75 -0.23 116.94 122.19 2ux0 h PHE 446 Ca 0.53 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.87 2ux0 h PHE 446 Cb 0.96 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2ux0 h PHE 446 CO -0.00 0.79 -0.54 1.88 -2.23 0.00 0.00 178.31 178.21 2ux0 h TYR 447 N 1.08 0.00 0.05 0.41 -1.99 -1.57 -1.81 116.97 113.13 2ux0 h TYR 447 Ca 0.26 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.87 2ux0 h TYR 447 Cb 0.12 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.86 2ux0 h TYR 447 CO 0.01 0.54 -0.49 0.74 -0.00 0.00 0.00 178.16 178.96 2ux0 h PHE 448 N 0.00 0.41 -0.40 4.88 -1.00 -1.25 -0.41 116.94 119.17 2ux0 h PHE 448 Ca -0.01 -0.26 -0.03 0.00 2.81 0.00 0.00 57.97 60.49 2ux0 h PHE 448 Cb 1.19 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 2ux0 h PHE 448 CO 0.00 1.12 0.12 0.93 -1.61 0.00 0.00 178.31 178.87 2ux0 h GLU 449 N -0.42 0.58 -0.00 1.51 5.08 -1.04 -3.25 114.58 117.05 2ux0 h GLU 449 Ca -0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2ux0 h GLU 449 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ux0 h GLU 449 CO 0.09 0.52 0.00 0.09 -1.00 0.00 0.00 179.01 178.72 2ux0 n ASN 450 N -4.34 2.02 0.09 1.42 3.02 -0.69 -4.84 115.26 111.95 2ux0 n ASN 450 Ca 0.03 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 2ux0 n ASN 450 Cb 0.18 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 2ux0 n ASN 450 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ux0 n LEU 451 N -0.55 -1.53 -0.27 3.41 7.94 -0.94 -4.94 117.00 120.12 2ux0 n LEU 451 Ca 0.01 0.35 -0.06 0.00 -1.11 0.00 0.00 56.01 55.20 2ux0 n LEU 451 Cb 0.27 1.69 0.05 0.00 0.53 0.00 0.00 43.42 45.97 2ux0 n LEU 451 CO 0.00 -0.23 1.01 -0.07 -1.11 0.00 0.00 177.39 176.99 2ux0 h LEU 452 N 0.00 1.04 -0.17 -1.96 3.38 -1.25 -2.15 115.31 114.20 2ux0 h LEU 452 Ca 0.00 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.59 2ux0 h LEU 452 Cb 0.00 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.49 2ux0 h LEU 452 CO 0.00 0.95 -0.64 0.77 0.09 0.00 0.00 178.44 179.61 2ux0 h SER 453 N 1.07 0.85 -0.08 -0.43 4.64 -1.78 -3.28 113.55 114.54 2ux0 h SER 453 Ca 0.24 -0.61 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2ux0 h SER 453 Cb 0.25 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ux0 h SER 453 CO -0.01 1.32 0.06 0.11 -0.87 0.00 0.00 176.83 177.44 2ux0 h LYS 454 N 0.43 0.00 -6.25 4.77 6.56 -1.77 -3.45 116.57 116.86 2ux0 h LYS 454 Ca -0.03 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.00 2ux0 h LYS 454 Cb 1.27 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.91 2ux0 h LYS 454 CO 0.13 0.00 1.16 1.21 -2.06 0.00 0.00 179.45 179.90 2ux0 s ASN 455 N -6.82 6.38 0.00 0.86 3.84 -0.83 -4.91 114.94 113.46 2ux0 s ASN 455 Ca -0.05 1.95 0.23 0.00 0.21 0.00 0.00 52.86 55.19 2ux0 s ASN 455 Cb 0.17 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 2ux0 s ASN 455 CO 0.66 -1.21 1.08 -1.54 -2.79 0.00 0.00 177.10 173.31 2ux0 n SER 456 N 8.29 1.95 -4.78 -4.21 3.41 -1.26 -5.03 113.62 111.98 2ux0 n SER 456 Ca 0.20 -1.47 -0.38 0.00 -0.26 0.00 0.00 58.87 56.96 2ux0 n SER 456 Cb 0.44 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.84 2ux0 n SER 456 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ux0 s LYS 457 N -2.52 4.59 0.45 4.33 3.01 -1.26 -5.01 119.74 123.33 2ux0 s LYS 457 Ca 0.18 1.27 -0.22 0.00 -1.01 0.00 0.00 55.97 56.18 2ux0 s LYS 457 Cb 0.18 -2.99 -0.08 0.00 -1.01 0.00 0.00 37.83 33.93 2ux0 s LYS 457 CO 0.59 0.40 1.06 -2.14 0.51 0.00 0.00 175.35 175.77 2ux0 s PRO 458 N -1.71 3.94 -0.14 -1.68 0.02 -1.26 -5.00 135.00 129.17 2ux0 s PRO 458 Ca 0.45 1.47 -0.09 0.00 0.02 0.00 0.00 61.00 62.85 2ux0 s PRO 458 Cb -0.21 -2.31 0.05 0.00 0.02 0.00 0.00 34.50 32.05 2ux0 s PRO 458 CO 0.26 -0.33 0.35 0.96 -0.33 0.00 0.00 177.00 177.90 2ux0 s ILE 459 N -1.79 -0.02 -0.21 2.83 -4.36 -1.26 -4.02 121.20 112.36 2ux0 s ILE 459 Ca 0.63 0.09 -0.03 0.00 -0.26 0.00 0.00 60.65 61.09 2ux0 s ILE 459 Cb -0.20 -0.51 -0.00 0.00 1.25 0.00 0.00 42.46 42.99 2ux0 s ILE 459 CO 0.25 0.04 -0.08 -2.28 0.24 0.00 0.00 174.94 173.11 2ux0 s HIS 460 N 1.11 2.91 -0.12 1.37 2.46 -0.53 -4.98 115.29 117.53 2ux0 s HIS 460 Ca -0.08 -1.07 -0.10 0.00 0.47 0.00 0.00 55.06 54.29 2ux0 s HIS 460 Cb -0.08 -2.05 -0.05 0.00 -0.13 0.00 0.00 32.58 30.27 2ux0 s HIS 460 CO -0.09 -0.58 0.20 0.99 -2.47 0.00 0.00 174.74 172.79 2ux0 s THR 461 N 1.38 5.39 -0.09 0.89 2.01 -1.26 -0.49 115.64 123.46 2ux0 s THR 461 Ca 0.05 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2ux0 s THR 461 Cb -0.14 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.88 2ux0 s THR 461 CO -0.05 0.56 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.36 2ux0 s THR 462 N -0.64 1.68 -0.27 -0.82 2.01 0.81 -5.00 115.64 113.41 2ux0 s THR 462 Ca 0.16 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.28 2ux0 s THR 462 Cb -0.13 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2ux0 s THR 462 CO 0.05 0.48 0.11 -0.63 -0.69 0.00 0.00 174.62 173.93 2ux0 s ILE 463 N 0.58 4.51 -0.12 1.82 1.09 -1.26 -1.14 121.20 126.67 2ux0 s ILE 463 Ca -0.15 -0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.16 2ux0 s ILE 463 Cb -0.17 -3.17 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 2ux0 s ILE 463 CO 0.05 0.24 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.35 2ux0 s LEU 464 N 1.63 3.37 -1.28 2.97 1.43 0.94 -4.76 118.68 122.98 2ux0 s LEU 464 Ca 0.06 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2ux0 s LEU 464 Cb -0.16 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2ux0 s LEU 464 CO 0.05 0.26 0.67 0.59 0.23 0.00 0.00 176.35 178.15 2ux0 n ASN 465 N 2.93 -2.03 -4.76 2.29 3.02 -1.26 -2.21 115.26 113.24 2ux0 n ASN 465 Ca -0.18 -0.89 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 2ux0 n ASN 465 Cb 0.53 -3.79 0.03 0.00 -0.61 0.00 0.00 39.78 35.93 2ux0 n ASN 465 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2ux0 s PRO 466 N -6.01 3.06 -0.03 3.52 0.04 -1.26 -4.65 135.00 129.67 2ux0 s PRO 466 Ca 0.11 1.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2ux0 s PRO 466 Cb -0.03 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ux0 s PRO 466 CO 0.83 -1.12 0.01 -1.58 0.04 0.00 0.00 177.00 175.18 2ux0 s HIS 467 N -1.65 0.30 -0.13 0.56 2.46 -0.20 -5.01 115.29 111.61 2ux0 s HIS 467 Ca 0.76 0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2ux0 s HIS 467 Cb -0.29 -0.44 -0.01 0.00 -0.13 0.00 0.00 32.58 31.71 2ux0 s HIS 467 CO 0.32 -0.15 -0.14 0.08 -2.47 0.00 0.00 174.74 172.37 2ux0 s VAL 468 N 1.27 2.92 -0.27 0.89 1.01 -1.26 -1.17 120.40 123.78 2ux0 s VAL 468 Ca -0.06 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2ux0 s VAL 468 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2ux0 s VAL 468 CO -0.02 0.53 0.12 -1.00 0.00 0.00 0.00 175.10 174.72 2ux0 s HIS 469 N 0.39 3.14 -0.29 5.22 3.76 0.10 -4.98 115.29 122.63 2ux0 s HIS 469 Ca -0.11 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 2ux0 s HIS 469 Cb -0.16 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 2ux0 s HIS 469 CO 0.06 -0.32 0.67 0.08 -0.85 0.00 0.00 174.74 174.37 2ux0 s VAL 470 N 1.65 4.92 -0.59 -0.90 1.01 -1.26 -1.16 120.40 124.07 2ux0 s VAL 470 Ca 0.06 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2ux0 s VAL 470 Cb -0.16 -4.01 0.38 0.00 0.00 0.00 0.00 36.38 32.59 2ux0 s VAL 470 CO 0.06 -0.11 1.28 -0.38 0.00 0.00 0.00 175.10 175.95 2ux0 n ILE 471 N 5.35 3.07 0.00 2.22 5.41 -0.33 -4.99 119.36 130.09 2ux0 n ILE 471 Ca 0.00 -5.10 0.00 0.00 1.00 0.00 0.00 62.75 58.66 2ux0 n ILE 471 Cb 0.49 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 2ux0 n ILE 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ux0 n GLY 472 N -0.39 0.32 0.37 7.39 0.00 -1.25 -4.18 105.19 107.45 2ux0 n GLY 472 Ca 0.40 -1.98 0.13 0.00 0.00 0.00 0.00 46.02 44.57 2ux0 n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ux0 h GLU 473 N 0.00 0.67 -0.07 1.61 4.39 -2.04 -3.14 114.58 116.00 2ux0 h GLU 473 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ux0 h GLU 473 Cb 0.00 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2ux0 h GLU 473 CO 0.00 0.44 0.00 -0.25 -1.16 0.00 0.00 179.01 178.04 2ux0 n ASP 474 N -4.60 1.99 -3.96 1.42 8.00 -1.26 -4.95 116.55 113.18 2ux0 n ASP 474 Ca 0.19 -1.76 -0.14 0.00 0.71 0.00 0.00 54.79 53.79 2ux0 n ASP 474 Cb 0.52 -0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 2ux0 n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ux0 s ALA 475 N -0.80 0.33 0.30 2.24 0.00 -1.19 -0.89 121.76 121.75 2ux0 s ALA 475 Ca 0.06 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2ux0 s ALA 475 Cb 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2ux0 s ALA 475 CO 0.04 0.03 0.56 0.00 0.00 0.00 0.00 175.76 176.39 2ux0 s ALA 476 N -0.49 -0.19 -0.22 0.00 0.00 -0.75 -1.19 121.76 118.93 2ux0 s ALA 476 Ca -0.03 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2ux0 s ALA 476 Cb -0.04 1.00 0.07 0.00 0.00 0.00 0.00 23.12 24.15 2ux0 s ALA 476 CO -0.00 -0.88 0.52 0.00 0.00 0.00 0.00 175.76 175.40 2ux0 s ILE 478 N 1.62 1.91 -0.09 0.00 2.07 -0.13 -0.72 121.20 125.86 2ux0 s ILE 478 Ca -0.09 -0.96 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 2ux0 s ILE 478 Cb -0.08 -1.64 -0.01 0.00 0.13 0.00 0.00 42.46 40.87 2ux0 s ILE 478 CO -0.16 0.53 -0.22 0.00 -1.91 0.00 0.00 174.94 173.18 2ux0 s ALA 479 N 0.11 2.26 0.13 1.50 0.00 -0.32 -0.59 121.76 124.85 2ux0 s ALA 479 Ca -0.10 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 2ux0 s ALA 479 Cb -0.15 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2ux0 s ALA 479 CO 0.06 0.35 0.38 1.52 0.00 0.00 0.00 175.76 178.06 2ux0 s TYR 480 N 0.09 -0.12 -0.16 0.00 -0.85 -0.26 -1.04 117.35 115.02 2ux0 s TYR 480 Ca -0.10 -0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.16 2ux0 s TYR 480 Cb -0.16 0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 2ux0 s TYR 480 CO 0.06 -0.71 0.10 0.42 -1.52 0.00 0.00 175.55 173.91 2ux0 s ILE 481 N -3.83 5.15 -0.26 -3.49 1.01 -0.94 -0.71 121.20 118.14 2ux0 s ILE 481 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 2ux0 s ILE 481 Cb 0.02 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2ux0 s ILE 481 CO -0.10 0.52 -0.03 -0.60 0.00 0.00 0.00 174.94 174.73 2ux0 s ARG 482 N -0.24 2.82 -0.14 2.79 3.52 0.51 -0.04 118.95 128.16 2ux0 s ARG 482 Ca 0.10 -1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 54.57 2ux0 s ARG 482 Cb -0.12 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 2ux0 s ARG 482 CO 0.01 -0.44 0.26 -0.51 -0.81 0.00 0.00 175.30 173.82 2ux0 s LEU 483 N 1.34 4.28 -0.21 -0.88 1.43 -0.29 -1.04 118.68 123.31 2ux0 s LEU 483 Ca -0.00 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2ux0 s LEU 483 Cb -0.17 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2ux0 s LEU 483 CO -0.03 0.17 -0.12 -0.89 0.23 0.00 0.00 176.35 175.71 2ux0 s THR 484 N 0.12 1.83 0.04 5.49 2.01 -0.34 -0.14 115.64 124.65 2ux0 s THR 484 Ca 0.16 -1.14 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 2ux0 s THR 484 Cb -0.13 -1.87 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 2ux0 s THR 484 CO 0.04 0.19 0.51 -1.10 -0.69 0.00 0.00 174.62 173.57 2ux0 s GLN 485 N 1.31 4.10 0.30 4.92 -0.21 0.35 -1.44 119.66 129.00 2ux0 s GLN 485 Ca -0.02 0.62 -0.20 0.00 0.02 0.00 0.00 55.36 55.78 2ux0 s GLN 485 Cb -0.17 -3.24 0.03 0.00 1.00 0.00 0.00 33.01 30.63 2ux0 s GLN 485 CO -0.08 0.64 0.73 1.52 -2.12 0.00 0.00 175.29 175.98 2ux0 s TYR 486 N -1.05 -0.10 -0.06 0.91 -0.85 -0.42 -1.45 117.35 114.33 2ux0 s TYR 486 Ca 0.27 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2ux0 s TYR 486 Cb -0.18 0.72 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 2ux0 s TYR 486 CO 0.17 -1.30 -0.15 0.42 -1.52 0.00 0.00 175.55 173.17 2ux0 s ILE 487 N -3.59 3.02 0.51 -3.49 1.01 -1.26 -0.44 121.20 116.96 2ux0 s ILE 487 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2ux0 s ILE 487 Cb -0.06 -2.19 0.09 0.00 0.01 0.00 0.00 42.46 40.31 2ux0 s ILE 487 CO 0.08 0.58 0.70 -0.90 0.00 0.00 0.00 174.94 175.40 2ux0 n ASP 488 N 2.50 1.41 -0.14 3.58 3.85 0.22 -4.97 116.55 123.02 2ux0 n ASP 488 Ca -0.17 -2.08 -0.11 0.00 -0.71 0.00 0.00 54.79 51.72 2ux0 n ASP 488 Cb 0.52 -0.41 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 2ux0 n ASP 488 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ux0 h GLY 489 N -0.15 0.80 -1.35 6.12 0.00 -2.00 -2.08 103.07 104.40 2ux0 h GLY 489 Ca -0.23 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 2ux0 h GLY 489 CO 0.29 0.57 0.00 0.61 0.00 0.00 0.00 176.54 178.01 2ux0 n GLN 490 N -4.39 1.52 0.00 4.80 10.64 -1.26 -4.88 117.38 123.81 2ux0 n GLN 490 Ca -0.01 -0.42 0.00 0.00 -1.83 0.00 0.00 57.00 54.74 2ux0 n GLN 490 Cb 0.32 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2ux0 n GLN 490 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ux0 n GLY 491 N 0.09 3.01 3.81 2.61 0.00 -0.78 -5.04 105.19 108.89 2ux0 n GLY 491 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2ux0 n GLY 491 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ux0 s ARG 492 N -0.23 3.40 0.08 1.61 1.04 -1.26 -4.43 118.95 119.16 2ux0 s ARG 492 Ca 0.00 1.14 -0.11 0.00 -1.04 0.00 0.00 55.73 55.72 2ux0 s ARG 492 Cb 0.00 -2.05 -0.06 0.00 -2.04 0.00 0.00 34.95 30.80 2ux0 s ARG 492 CO 0.00 -0.74 0.43 -1.25 -0.04 0.00 0.00 175.30 173.70 2ux0 s PRO 493 N -4.15 3.82 0.18 3.89 0.04 -1.26 0.73 135.00 138.25 2ux0 s PRO 493 Ca 0.62 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.89 2ux0 s PRO 493 Cb -0.15 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 2ux0 s PRO 493 CO 0.37 0.56 0.19 1.03 0.04 0.00 0.00 177.00 179.20 2ux0 s ARG 494 N -1.80 1.16 0.08 4.56 0.52 0.41 -4.93 118.95 118.95 2ux0 s ARG 494 Ca 0.33 -1.42 0.09 0.00 -0.52 0.00 0.00 55.73 54.21 2ux0 s ARG 494 Cb -0.14 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.61 2ux0 s ARG 494 CO 0.18 -0.40 -0.24 0.99 0.02 0.00 0.00 175.30 175.84 2ux0 s THR 495 N -4.06 2.01 0.01 0.02 2.01 -1.26 -1.30 115.64 113.07 2ux0 s THR 495 Ca 0.28 -1.49 0.03 0.00 0.31 0.00 0.00 61.69 60.81 2ux0 s THR 495 Cb 0.05 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 2ux0 s THR 495 CO 0.06 0.18 -0.09 -0.94 -0.69 0.00 0.00 174.62 173.14 2ux0 s SER 496 N -1.59 1.03 -0.04 3.53 1.04 -0.52 -4.96 113.70 112.18 2ux0 s SER 496 Ca 0.11 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.26 2ux0 s SER 496 Cb -0.10 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2ux0 s SER 496 CO 0.04 0.02 -0.02 -1.58 0.98 0.00 0.00 173.24 172.68 2ux0 s GLN 497 N -0.66 2.81 0.01 4.02 0.74 -1.26 -1.20 119.66 124.14 2ux0 s GLN 497 Ca -0.00 -0.55 -0.07 0.00 0.05 0.00 0.00 55.36 54.80 2ux0 s GLN 497 Cb -0.05 -2.67 -0.00 0.00 1.10 0.00 0.00 33.01 31.38 2ux0 s GLN 497 CO 0.00 0.65 0.12 -1.54 -0.55 0.00 0.00 175.29 173.98 2ux0 s SER 498 N -1.20 0.07 -0.18 6.67 1.04 -0.20 -4.46 113.70 115.45 2ux0 s SER 498 Ca 0.16 -0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 2ux0 s SER 498 Cb -0.11 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2ux0 s SER 498 CO 0.06 -0.41 -0.00 -1.61 0.98 0.00 0.00 173.24 172.26 2ux0 s GLU 499 N -1.74 3.73 -0.04 4.02 8.01 -0.01 -0.37 118.70 132.30 2ux0 s GLU 499 Ca -0.12 -0.48 0.03 0.00 0.01 0.00 0.00 54.97 54.41 2ux0 s GLU 499 Cb -0.06 -3.04 0.01 0.00 -4.31 0.00 0.00 34.13 26.73 2ux0 s GLU 499 CO -0.00 0.18 -0.10 -1.21 0.01 0.00 0.00 175.26 174.13 2ux0 s GLU 500 N 0.56 1.24 -0.11 1.61 2.02 0.12 -1.00 118.70 123.14 2ux0 s GLU 500 Ca -0.01 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.65 2ux0 s GLU 500 Cb -0.14 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 2ux0 s GLU 500 CO 0.02 0.09 -0.17 0.99 0.02 0.00 0.00 175.26 176.22 2ux0 s THR 501 N 0.35 2.73 -0.06 3.63 2.01 0.34 -1.11 115.64 123.55 2ux0 s THR 501 Ca -0.07 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.18 2ux0 s THR 501 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.29 2ux0 s THR 501 CO 0.01 0.54 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.21 2ux0 s ARG 502 N 0.21 1.77 -0.12 4.92 0.52 0.24 -1.29 118.95 125.19 2ux0 s ARG 502 Ca -0.10 -0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.56 2ux0 s ARG 502 Cb -0.16 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2ux0 s ARG 502 CO 0.06 0.12 0.04 0.08 0.02 0.00 0.00 175.30 175.61 2ux0 s VAL 503 N 0.39 4.59 -0.00 3.52 1.01 -0.47 -0.95 120.40 128.48 2ux0 s VAL 503 Ca -0.10 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2ux0 s VAL 503 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2ux0 s VAL 503 CO 0.03 0.56 -0.24 0.26 0.00 0.00 0.00 175.10 175.72 2ux0 s TRP 504 N -0.51 2.15 -0.06 5.22 0.52 0.01 -1.19 118.94 125.08 2ux0 s TRP 504 Ca 0.10 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 55.80 2ux0 s TRP 504 Cb -0.12 -1.36 0.03 0.00 -1.15 0.00 0.00 33.47 30.87 2ux0 s TRP 504 CO 0.02 0.00 -0.01 -1.58 0.02 0.00 0.00 176.95 175.41 2ux0 s HIS 505 N -0.62 0.66 -0.26 -1.98 2.46 -0.27 -1.81 115.29 113.48 2ux0 s HIS 505 Ca 0.10 -0.17 -0.24 0.00 0.47 0.00 0.00 55.06 55.21 2ux0 s HIS 505 Cb -0.09 -0.76 -0.00 0.00 -0.13 0.00 0.00 32.58 31.59 2ux0 s HIS 505 CO -0.00 -0.30 0.83 0.50 -2.47 0.00 0.00 174.74 173.30 2ux0 s ARG 506 N 1.75 4.13 -0.10 2.88 3.52 -0.06 -0.96 118.95 130.11 2ux0 s ARG 506 Ca 0.02 0.86 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2ux0 s ARG 506 Cb -0.13 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.61 2ux0 s ARG 506 CO -0.04 -0.57 -0.17 0.50 -0.81 0.00 0.00 175.30 174.21 2ux0 s ARG 507 N 2.90 2.31 -1.38 5.12 3.52 -0.54 -4.79 118.95 126.10 2ux0 s ARG 507 Ca 0.35 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2ux0 s ARG 507 Cb -0.15 -1.88 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 2ux0 s ARG 507 CO 0.09 0.02 0.47 -0.25 -0.81 0.00 0.00 175.30 174.82 2ux0 n ASP 508 N 3.92 -0.71 0.00 -2.12 8.00 -1.26 -1.96 116.55 122.42 2ux0 n ASP 508 Ca -0.20 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.31 2ux0 n ASP 508 Cb 0.52 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 2ux0 n ASP 508 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ux0 n GLY 509 N -1.92 1.15 3.31 0.44 0.00 -1.26 -4.99 105.19 101.92 2ux0 n GLY 509 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2ux0 n GLY 509 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ux0 s LYS 510 N -0.18 3.28 0.05 1.61 0.00 -0.83 -5.10 119.74 118.58 2ux0 s LYS 510 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 55.97 54.94 2ux0 s LYS 510 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 37.83 35.17 2ux0 s LYS 510 CO 0.00 0.12 1.21 -1.58 0.00 0.00 0.00 175.35 175.10 2ux0 s TRP 511 N 0.58 3.40 -0.01 1.78 0.52 -1.26 -1.46 118.94 122.48 2ux0 s TRP 511 Ca -0.09 1.27 0.05 0.00 0.02 0.00 0.00 56.10 57.35 2ux0 s TRP 511 Cb -0.16 -3.44 -0.01 0.00 -1.15 0.00 0.00 33.47 28.71 2ux0 s TRP 511 CO 0.03 -1.35 -0.17 -0.51 0.02 0.00 0.00 176.95 174.97 2ux0 s LEU 512 N 1.19 2.03 -0.24 2.99 1.43 -0.13 -4.83 118.68 121.11 2ux0 s LEU 512 Ca 0.59 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 2ux0 s LEU 512 Cb -0.29 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2ux0 s LEU 512 CO 0.29 0.21 0.93 0.21 0.23 0.00 0.00 176.35 178.22 2ux0 s ASN 513 N -0.40 6.95 -0.06 2.29 3.04 -0.39 -1.11 114.94 125.26 2ux0 s ASN 513 Ca 0.07 1.19 0.16 0.00 0.04 0.00 0.00 52.86 54.32 2ux0 s ASN 513 Cb -0.07 -2.48 -0.24 0.00 -1.54 0.00 0.00 41.25 36.91 2ux0 s ASN 513 CO -0.01 -0.59 0.28 1.33 -3.04 0.00 0.00 177.10 175.07 2ux0 n VAL 514 N 5.29 0.31 -3.84 -5.21 0.24 -0.34 -0.88 118.33 113.91 2ux0 n VAL 514 Ca 0.09 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 2ux0 n VAL 514 Cb 0.47 -0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.66 2ux0 n VAL 514 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2ux0 s HIS 515 N -2.95 -0.01 -0.10 6.34 5.65 -1.23 -2.20 115.29 120.80 2ux0 s HIS 515 Ca -0.07 -0.06 -0.05 0.00 0.25 0.00 0.00 55.06 55.13 2ux0 s HIS 515 Cb 0.09 -0.01 0.05 0.00 -1.18 0.00 0.00 32.58 31.53 2ux0 s HIS 515 CO 0.69 -0.33 0.23 -0.47 -0.65 0.00 0.00 174.74 174.21 2ux0 s TYR 516 N -1.52 -0.31 -0.12 3.88 5.04 -0.78 -1.36 117.35 122.17 2ux0 s TYR 516 Ca -0.13 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 2ux0 s TYR 516 Cb -0.06 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.25 2ux0 s TYR 516 CO 0.02 -0.25 -0.13 -1.58 -1.34 0.00 0.00 175.55 172.26 2ux0 s HIS 517 N 1.59 1.89 -0.09 4.97 5.65 -0.41 -0.81 115.29 128.08 2ux0 s HIS 517 Ca -0.06 -0.96 0.02 0.00 0.25 0.00 0.00 55.06 54.32 2ux0 s HIS 517 Cb -0.11 -1.41 0.01 0.00 -1.18 0.00 0.00 32.58 29.89 2ux0 s HIS 517 CO -0.08 -0.54 -0.16 0.00 -0.65 0.00 0.00 174.74 173.31 2ux0 s SER 519 N 0.71 2.58 0.00 0.00 1.04 -0.17 -4.00 113.70 113.86 2ux0 s SER 519 Ca -0.13 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2ux0 s SER 519 Cb -0.16 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2ux0 s SER 519 CO 0.03 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2ux0 n GLY 520 N 1.74 2.60 0.00 7.32 0.00 -1.26 -0.83 105.19 114.76 2ux0 n GLY 520 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2ux0 n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32