============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. TRP 11 1.040 -26.357 -10.542 -70.074 -99.200 -91.000 TRP6 11 1.020 -24.755 -10.185 -71.804 -99.200 -91.000 PHE 19 1.000 -21.455 -2.862 -66.813 -99.200 -91.000 PHE 26 1.000 -27.337 -4.767 -80.232 -99.200 -91.000 TRP 34 1.040 -9.342 -2.141 -88.148 -99.200 -91.000 TRP6 34 1.020 -8.313 -3.494 -86.578 -99.200 -91.000 TYR 59 0.840 -4.206 1.591 -86.648 -99.200 -91.000 PHE 76 1.000 -11.491 -13.768 -56.794 -99.200 -91.000 TRP 91 1.040 -15.098 -21.155 -54.353 -99.200 -91.000 TRP6 91 1.020 -15.913 -20.656 -52.183 -99.200 -91.000 HIS 104 0.900 -15.204 -2.348 -57.012 -99.200 -91.000 TYR 105 0.840 -19.120 -5.325 -63.834 -99.200 -91.000 TYR 115 0.840 -17.970 0.658 -78.466 -99.200 -91.000 PHE 119 1.000 -17.182 -13.753 -77.910 -99.200 -91.000 TYR 140 0.840 -6.171 -2.816 -76.978 -99.200 -91.000 PHE 165 1.000 -26.322 -14.590 -75.082 -99.200 -91.000 HIS 170 0.900 -13.524 -4.927 -70.400 -99.200 -91.000 TRP 185 1.040 -4.516 0.859 -70.790 -99.200 -91.000 TRP6 185 1.020 -4.588 -0.285 -72.900 -99.200 -91.000 TYR 192 0.840 -12.717 -7.350 -57.683 -99.200 -91.000 PHE 196 1.000 -19.726 -15.098 -61.429 -99.200 -91.000 TRP 203 1.040 -20.510 -11.121 -64.752 -99.200 -91.000 TRP6 203 1.020 -21.873 -10.243 -63.002 -99.200 -91.000 TYR 205 0.840 -14.259 -2.302 -61.886 -99.200 -91.000 TYR 209 0.840 -1.883 -6.224 -71.247 -99.200 -91.000 TYR 220 0.840 -16.907 -18.776 -74.866 -99.200 -91.000 TRP 234 1.040 -16.650 -30.382 -75.691 -99.200 -91.000 TRP6 234 1.020 -15.300 -28.408 -75.718 -99.200 -91.000 HIS 238 0.900 -1.746 -22.692 -72.706 -99.200 -91.000 TYR 252 0.840 2.038 -38.344 -90.736 -99.200 -91.000 HIS 253 0.900 -3.721 -32.239 -89.757 -99.200 -91.000 PHE 258 1.000 5.956 -27.760 -76.767 -99.200 -91.000 TRP 277 1.040 10.096 -34.117 -93.533 -99.200 -91.000 TRP6 277 1.020 8.539 -35.406 -92.298 -99.200 -91.000 TRP 288 1.040 -12.131 -25.102 -77.625 -99.200 -91.000 TRP6 288 1.020 -14.190 -23.903 -77.926 -99.200 -91.000 TYR 297 0.840 -11.072 -36.212 -86.895 -99.200 -91.000 PHE 305 1.000 -1.388 -17.356 -85.779 -99.200 -91.000 PHE 306 1.000 -3.085 -10.803 -77.049 -99.200 -91.000 TYR 314 0.840 11.913 -11.247 -91.379 -99.200 -91.000 PHE 331 1.000 3.053 -4.562 -84.422 -99.200 -91.000 TRP 343 1.040 14.354 -3.022 -82.117 -99.200 -91.000 TRP6 343 1.020 15.069 -3.363 -79.905 -99.200 -91.000 TRP 344 1.040 10.071 -7.760 -81.520 -99.200 -91.000 TRP6 344 1.020 8.143 -7.372 -82.906 -99.200 -91.000 HIS 354 0.900 14.826 8.225 -79.619 -99.200 -91.000 TRP 358 1.040 7.139 -0.761 -71.941 -99.200 -91.000 TRP6 358 1.020 5.457 -0.733 -70.279 -99.200 -91.000 TRP 363 1.040 15.570 1.278 -74.623 -99.200 -91.000 TRP6 363 1.020 17.001 0.449 -76.330 -99.200 -91.000 HIS 373 0.900 5.576 -5.643 -69.738 -99.200 -91.000 TYR 378 0.840 2.989 -11.438 -82.968 -99.200 -91.000 PHE 392 1.000 -7.901 -20.174 -90.095 -99.200 -91.000 TRP 395 1.040 -18.269 -27.875 -90.696 -99.200 -91.000 TRP6 395 1.020 -19.105 -30.045 -90.069 -99.200 -91.000 PHE 405 1.000 0.718 -33.698 -72.242 -99.200 -91.000 TYR 420 0.840 5.717 -47.527 -70.760 -99.200 -91.000 TRP 422 1.040 -5.719 -40.497 -73.051 -99.200 -91.000 TRP6 422 1.020 -5.399 -38.891 -74.792 -99.200 -91.000 HIS 424 0.900 3.993 -43.609 -69.392 -99.200 -91.000 HIS 442 0.900 5.501 -30.357 -60.152 -99.200 -91.000 PHE 450 1.000 -4.231 -20.006 -68.874 -99.200 -91.000 TYR 453 0.840 -13.005 -29.330 -64.866 -99.200 -91.000 TYR 458 0.840 -7.185 -30.655 -67.226 -99.200 -91.000 TRP 462 1.040 -6.151 -34.519 -70.149 -99.200 -91.000 TRP6 462 1.020 -4.579 -34.701 -71.896 -99.200 -91.000 PHE 477 1.000 5.699 -39.484 -79.739 -99.200 -91.000 TRP 481 1.040 11.515 -27.643 -78.053 -99.200 -91.000 TRP6 481 1.020 11.236 -29.732 -79.138 -99.200 -91.000 PHE 482 1.000 13.767 -24.732 -74.063 -99.200 -91.000 PHE 490 1.000 20.080 -23.660 -74.182 -99.200 -91.000 TRP 492 1.040 17.087 -30.130 -80.390 -99.200 -91.000 TRP6 492 1.020 17.836 -31.588 -82.130 -99.200 -91.000 PHE 495 1.000 15.425 -20.545 -81.433 -99.200 -91.000 TRP 504 1.040 12.626 -41.078 -83.112 -99.200 -91.000 TRP6 504 1.020 11.124 -41.272 -81.254 -99.200 -91.000 HIS 512 0.900 7.944 -46.416 -91.426 -99.200 -91.000 HIS 522 0.900 8.022 -47.228 -75.734 -99.200 -91.000 TRP 552 1.040 14.019 -39.261 -65.227 -99.200 -91.000 TRP6 552 1.020 11.723 -38.711 -65.349 -99.200 -91.000 TYR 562 0.840 1.921 -30.329 -58.845 -99.200 -91.000 PHE 565 1.000 -1.188 -28.149 -55.200 -99.200 -91.000 HIS 575 0.900 -2.908 -40.808 -56.719 -99.200 -91.000 PHE 578 1.000 4.926 -40.631 -58.482 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zciA1 ALA 13 HA -0.42 -0.04 0.20 -0.75 4.34 3.34 2zciA1 ALA 13 HB3 -0.24 0.00 0.05 -0.04 1.41 1.18 2zciA1 PRO 14 HA -0.14 0.17 0.39 -0.51 4.44 4.34 2zciA1 PRO 14 HB2 -0.12 -0.00 0.04 -0.04 2.28 2.15 2zciA1 PRO 14 HB3 -0.12 0.01 0.09 -0.04 2.02 1.96 2zciA1 PRO 14 HG2 -0.29 -0.01 -0.01 -0.04 2.03 1.69 2zciA1 PRO 14 HG3 -0.26 0.03 0.03 -0.04 2.03 1.79 2zciA1 PRO 14 HD2 -1.42 0.07 0.06 -0.04 3.68 2.36 2zciA1 PRO 14 HD3 -1.01 0.10 0.16 -0.04 3.65 2.86 2zciA1 THR 15 H -0.20 0.20 -0.68 -0.55 8.28 7.06 2zciA1 THR 15 HA -0.03 0.16 0.90 -0.75 4.39 4.67 2zciA1 THR 15 HB 0.03 0.03 -0.24 -0.04 4.32 4.10 2zciA1 THR 15 HG23 0.11 0.00 -0.12 -0.04 1.22 1.17 2zciA1 LYS 16 H 0.01 0.14 0.08 -0.55 8.42 8.10 2zciA1 LYS 16 HA 0.01 0.19 0.65 -0.75 4.32 4.42 2zciA1 LYS 16 HB2 0.01 -0.03 0.02 -0.04 1.87 1.82 2zciA1 LYS 16 HB3 0.02 -0.01 0.07 -0.04 1.79 1.83 2zciA1 LYS 16 HG2 0.00 -0.02 -0.00 -0.04 1.46 1.39 2zciA1 LYS 16 HG3 -0.00 0.04 -0.00 -0.04 1.46 1.45 2zciA1 LYS 16 HD2 -0.01 0.00 -0.07 -0.04 1.69 1.56 2zciA1 LYS 16 HD3 -0.02 0.06 -0.26 -0.04 1.68 1.42 2zciA1 LYS 16 HE2 -0.00 -0.06 -0.03 -0.04 2.99 2.85 2zciA1 LYS 16 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2zciA1 ASN 17 H 0.05 0.01 -0.02 -0.55 8.53 8.02 2zciA1 ASN 17 HA 0.08 0.32 0.73 -0.75 4.76 5.14 2zciA1 ASN 17 HB2 0.08 0.30 0.18 -0.04 2.88 3.40 2zciA1 ASN 17 HB3 0.12 -0.11 0.07 -0.04 2.79 2.83 2zciA1 ASN 17 HD21 0.21 0.39 -0.18 -0.04 7.03 7.41 2zciA1 ASN 17 HD22 0.11 0.38 -0.26 -0.04 7.74 7.93 2zciA1 LYS 18 H 0.08 0.26 0.28 -0.55 8.42 8.50 2zciA1 LYS 18 HA 0.09 0.12 0.22 -0.75 4.32 4.00 2zciA1 LYS 18 HB2 0.05 0.16 0.15 -0.04 1.87 2.19 2zciA1 LYS 18 HB3 0.06 -0.00 0.03 -0.04 1.79 1.84 2zciA1 LYS 18 HG2 0.05 -0.01 -0.02 -0.04 1.46 1.45 2zciA1 LYS 18 HG3 0.06 -0.06 0.04 -0.04 1.46 1.46 2zciA1 LYS 18 HD2 0.04 -0.01 -0.03 -0.04 1.69 1.65 2zciA1 LYS 18 HD3 0.04 0.12 -0.01 -0.04 1.68 1.79 2zciA1 LYS 18 HE2 0.03 0.02 0.02 -0.04 2.99 3.02 2zciA1 LYS 18 HE3 0.03 -0.03 -0.00 -0.04 2.99 2.95 2zciA1 GLU 19 H 0.11 0.14 0.06 -0.55 8.60 8.37 2zciA1 GLU 19 HA 0.12 0.09 0.53 -0.75 4.29 4.27 2zciA1 GLU 19 HB2 0.12 0.03 0.06 -0.04 2.09 2.26 2zciA1 GLU 19 HB3 0.03 0.05 -0.03 -0.04 1.99 2.00 2zciA1 GLU 19 HG2 0.04 -0.03 0.07 -0.04 2.34 2.37 2zciA1 GLU 19 HG3 -0.02 0.09 0.01 -0.04 2.34 2.38 2zciA1 LEU 20 H 0.28 0.09 -0.37 -0.55 8.37 7.83 2zciA1 LEU 20 HA 0.58 0.06 0.31 -0.75 4.35 4.54 2zciA1 LEU 20 HB2 0.21 0.07 -0.05 -0.04 1.64 1.82 2zciA1 LEU 20 HB3 0.18 0.07 -0.07 -0.04 1.64 1.78 2zciA1 LEU 20 HG 0.19 -0.00 -0.32 -0.04 1.64 1.47 2zciA1 LEU 20 HD13 -0.07 -0.02 -0.08 -0.04 0.93 0.73 2zciA1 LEU 20 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.73 2zciA1 LEU 21 H 0.18 0.57 -0.19 -0.55 8.37 8.39 2zciA1 LEU 21 HA 0.18 0.01 0.54 -0.75 4.35 4.32 2zciA1 LEU 21 HB2 0.11 0.02 0.05 -0.04 1.64 1.78 2zciA1 LEU 21 HB3 0.10 -0.04 -0.06 -0.04 1.64 1.60 2zciA1 LEU 21 HG 0.14 0.12 -0.06 -0.04 1.64 1.80 2zciA1 LEU 21 HD13 0.06 0.05 -0.21 -0.04 0.93 0.79 2zciA1 LEU 21 HD23 0.15 -0.02 -0.03 -0.04 0.89 0.95 2zciA1 ASN 22 H 0.17 0.59 -0.18 -0.55 8.53 8.56 2zciA1 ASN 22 HA 0.09 0.01 0.52 -0.75 4.76 4.62 2zciA1 ASN 22 HB2 0.18 0.16 0.23 -0.04 2.88 3.41 2zciA1 ASN 22 HB3 0.13 -0.06 0.03 -0.04 2.79 2.84 2zciA1 ASN 22 HD21 0.07 -0.07 -0.05 -0.04 7.03 6.93 2zciA1 ASN 22 HD22 0.09 -0.05 0.00 -0.04 7.74 7.75 2zciA1 TRP 23 H 0.40 0.55 -0.10 -0.55 7.97 8.27 2zciA1 TRP 23 HA 0.07 -0.01 0.28 -0.75 4.62 4.21 2zciA1 TRP 23 HB2 0.15 0.03 0.07 -0.04 3.23 3.43 2zciA1 TRP 23 HB3 0.19 0.12 0.13 -0.04 3.23 3.62 2zciA1 TRP 23 HD1 0.12 -0.02 -0.02 -0.04 7.22 7.26 2zciA1 TRP 23 HE1 0.17 0.00 -0.09 -0.04 10.20 10.25 2zciA1 TRP 23 HE3 0.09 0.08 -0.06 -0.04 7.59 7.66 2zciA1 TRP 23 HZ2 0.14 -0.02 -0.25 -0.04 7.44 7.27 2zciA1 TRP 23 HZ3 -0.06 -0.05 -0.15 -0.04 7.13 6.83 2zciA1 TRP 23 HH2 0.09 0.18 -0.02 -0.04 7.19 7.39 2zciA1 ILE 24 H 0.15 0.50 -0.17 -0.55 8.25 8.18 2zciA1 ILE 24 HA -0.48 -0.01 0.43 -0.75 4.18 3.37 2zciA1 ILE 24 HB 0.01 0.09 0.08 -0.04 1.89 2.03 2zciA1 ILE 24 HG12 -0.26 -0.06 -0.06 -0.04 1.49 1.07 2zciA1 ILE 24 HG13 0.06 0.06 0.01 -0.04 1.21 1.30 2zciA1 ILE 24 HG23 -0.17 -0.02 -0.13 -0.04 0.93 0.57 2zciA1 ILE 24 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 2zciA1 ALA 25 H 0.01 0.60 -0.15 -0.55 8.40 8.31 2zciA1 ALA 25 HA -0.03 -0.04 0.41 -0.75 4.34 3.93 2zciA1 ALA 25 HB3 0.02 0.03 0.15 -0.04 1.41 1.56 2zciA1 ASP 26 H -0.02 0.72 -0.06 -0.55 8.40 8.49 2zciA1 ASP 26 HA -0.04 -0.02 0.50 -0.75 4.63 4.31 2zciA1 ASP 26 HB2 -0.04 0.18 0.09 -0.04 2.71 2.91 2zciA1 ASP 26 HB3 -0.03 -0.05 -0.13 -0.04 2.70 2.44 2zciA1 ALA 27 H -0.29 0.61 -0.03 -0.55 8.40 8.14 2zciA1 ALA 27 HA -0.17 0.00 0.62 -0.75 4.34 4.04 2zciA1 ALA 27 HB3 -0.36 0.00 0.07 -0.04 1.41 1.08 2zciA1 VAL 28 H -0.15 0.85 -0.01 -0.55 8.24 8.38 2zciA1 VAL 28 HA -0.06 -0.04 0.42 -0.75 4.13 3.70 2zciA1 VAL 28 HB -0.08 0.15 0.19 -0.04 2.12 2.34 2zciA1 VAL 28 HG13 -0.04 -0.00 -0.17 -0.04 0.97 0.71 2zciA1 VAL 28 HG23 -0.12 -0.02 -0.05 -0.04 0.95 0.73 2zciA1 GLU 29 H -0.05 0.73 0.04 -0.55 8.60 8.78 2zciA1 GLU 29 HA -0.04 -0.01 0.45 -0.75 4.29 3.93 2zciA1 GLU 29 HB2 -0.04 0.09 0.14 -0.04 2.09 2.25 2zciA1 GLU 29 HB3 -0.05 0.10 0.11 -0.04 1.99 2.10 2zciA1 GLU 29 HG2 -0.03 -0.06 -0.02 -0.04 2.34 2.19 2zciA1 GLU 29 HG3 -0.04 0.01 -0.12 -0.04 2.34 2.16 2zciA1 LEU 30 H -0.10 0.44 -0.24 -0.55 8.37 7.91 2zciA1 LEU 30 HA -0.12 -0.00 0.51 -0.75 4.35 3.98 2zciA1 LEU 30 HB2 -0.23 0.17 0.24 -0.04 1.64 1.78 2zciA1 LEU 30 HB3 -0.54 0.01 0.10 -0.04 1.64 1.18 2zciA1 LEU 30 HG -0.18 -0.03 0.02 -0.04 1.64 1.40 2zciA1 LEU 30 HD13 -0.62 -0.02 -0.06 -0.04 0.93 0.19 2zciA1 LEU 30 HD23 -0.16 -0.01 -0.03 -0.04 0.89 0.65 2zciA1 PHE 31 H 0.01 0.93 0.11 -0.55 8.34 8.84 2zciA1 PHE 31 HA -0.08 0.10 0.32 -0.75 4.62 4.20 2zciA1 PHE 31 HB2 -0.20 0.14 0.03 -0.04 3.15 3.08 2zciA1 PHE 31 HB3 -0.15 -0.13 -0.10 -0.04 3.06 2.63 2zciA1 PHE 31 HD2 -0.24 0.04 0.01 -0.04 7.28 7.05 2zciA1 PHE 31 HE2 -0.52 -0.04 -0.05 -0.04 7.38 6.72 2zciA1 PHE 31 HZ -1.65 -0.02 -0.12 -0.04 7.32 5.48 2zciA1 GLN 32 H 0.02 0.59 -0.29 -0.55 8.47 8.24 2zciA1 GLN 32 HA -0.01 0.10 0.27 -0.75 4.36 3.96 2zciA1 GLN 32 HB2 0.00 -0.03 0.16 -0.04 2.15 2.24 2zciA1 GLN 32 HB3 -0.01 -0.06 0.08 -0.04 2.02 1.99 2zciA1 GLN 32 HG2 -0.02 0.11 0.01 -0.04 2.40 2.46 2zciA1 GLN 32 HG3 -0.01 0.10 -0.29 -0.04 2.39 2.15 2zciA1 GLN 32 HE21 -0.02 -0.10 0.01 -0.04 6.97 6.83 2zciA1 GLN 32 HE22 -0.02 0.11 0.05 -0.04 7.69 7.79 2zciA1 PRO 33 HA -0.06 0.34 0.37 -0.51 4.44 4.57 2zciA1 PRO 33 HB2 -0.14 -0.03 0.06 -0.04 2.28 2.13 2zciA1 PRO 33 HB3 -0.16 -0.00 -0.07 -0.04 2.02 1.75 2zciA1 PRO 33 HG2 -0.11 -0.01 -0.12 -0.04 2.03 1.75 2zciA1 PRO 33 HG3 -0.16 -0.03 -0.05 -0.04 2.03 1.75 2zciA1 PRO 33 HD2 -0.04 0.13 0.10 -0.04 3.68 3.83 2zciA1 PRO 33 HD3 -0.01 0.04 -0.09 -0.04 3.65 3.55 2zciA1 GLU 34 H -0.07 0.41 0.28 -0.55 8.60 8.68 2zciA1 GLU 34 HA -0.04 0.05 0.55 -0.75 4.29 4.10 2zciA1 GLU 34 HB2 -0.06 0.08 -0.02 -0.04 2.09 2.05 2zciA1 GLU 34 HB3 -0.05 -0.03 -0.11 -0.04 1.99 1.76 2zciA1 GLU 34 HG2 -0.03 -0.01 0.07 -0.04 2.34 2.32 2zciA1 GLU 34 HG3 -0.03 -0.10 0.11 -0.04 2.34 2.28 2zciA1 ALA 35 H -0.11 0.27 -0.07 -0.55 8.40 7.94 2zciA1 ALA 35 HA -0.06 0.13 0.72 -0.75 4.34 4.38 2zciA1 ALA 35 HB3 -0.09 0.01 -0.17 -0.04 1.41 1.12 2zciA1 VAL 36 H -0.06 0.21 0.14 -0.55 8.24 7.98 2zciA1 VAL 36 HA -0.18 0.31 0.95 -0.75 4.13 4.45 2zciA1 VAL 36 HB -0.00 -0.01 0.09 -0.04 2.12 2.16 2zciA1 VAL 36 HG13 -0.14 -0.01 -0.11 -0.04 0.97 0.68 2zciA1 VAL 36 HG23 -0.09 0.01 -0.15 -0.04 0.95 0.68 2zciA1 VAL 37 H -0.16 0.66 0.22 -0.55 8.24 8.41 2zciA1 VAL 37 HA 0.10 0.16 0.99 -0.75 4.13 4.62 2zciA1 VAL 37 HB -0.06 -0.01 0.04 -0.04 2.12 2.05 2zciA1 VAL 37 HG13 0.17 0.00 -0.13 -0.04 0.97 0.97 2zciA1 VAL 37 HG23 -0.06 0.00 -0.28 -0.04 0.95 0.58 2zciA1 PHE 38 H 0.42 0.17 0.11 -0.55 8.34 8.50 2zciA1 PHE 38 HA 0.04 0.08 0.74 -0.75 4.62 4.73 2zciA1 PHE 38 HB2 0.02 -0.01 0.15 -0.04 3.15 3.27 2zciA1 PHE 38 HB3 0.02 0.04 -0.05 -0.04 3.06 3.03 2zciA1 PHE 38 HD2 0.00 0.01 -0.04 -0.04 7.28 7.21 2zciA1 PHE 38 HE2 -0.00 0.02 -0.08 -0.04 7.38 7.28 2zciA1 PHE 38 HZ 0.01 0.02 -0.08 -0.04 7.32 7.24 2zciA1 VAL 39 H 0.11 0.60 0.36 -0.55 8.24 8.76 2zciA1 VAL 39 HA 0.10 0.04 0.51 -0.75 4.13 4.03 2zciA1 VAL 39 HB 0.06 0.31 0.27 -0.04 2.12 2.71 2zciA1 VAL 39 HG13 0.02 -0.04 -0.13 -0.04 0.97 0.77 2zciA1 VAL 39 HG23 0.03 -0.00 -0.09 -0.04 0.95 0.84 2zciA1 ASP 40 H 0.07 0.13 0.19 -0.55 8.40 8.24 2zciA1 ASP 40 HA 0.07 0.20 1.06 -0.75 4.63 5.21 2zciA1 ASP 40 HB2 0.04 -0.01 0.21 -0.04 2.71 2.91 2zciA1 ASP 40 HB3 0.06 0.12 0.09 -0.04 2.70 2.93 2zciA1 GLY 41 H 0.05 0.11 -0.04 -0.55 8.43 8.00 2zciA1 GLY 41 HA2 0.04 0.07 0.28 -0.51 4.01 3.89 2zciA1 GLY 41 HA3 0.03 0.34 0.87 -0.51 4.01 4.74 2zciA1 SER 42 H 0.05 -0.07 -0.15 -0.55 8.46 7.74 2zciA1 SER 42 HA 0.02 0.22 0.28 -0.75 4.49 4.26 2zciA1 SER 42 HB2 0.04 -0.07 0.15 -0.04 3.95 4.02 2zciA1 SER 42 HB3 0.03 0.14 0.08 -0.04 3.93 4.15 2zciA1 GLN 43 H 0.02 0.21 0.22 -0.55 8.47 8.37 2zciA1 GLN 43 HA 0.03 0.19 0.55 -0.75 4.36 4.37 2zciA1 GLN 43 HB2 -0.03 0.09 0.18 -0.04 2.15 2.35 2zciA1 GLN 43 HB3 0.02 -0.02 0.11 -0.04 2.02 2.08 2zciA1 GLN 43 HG2 -0.03 0.07 0.03 -0.04 2.40 2.43 2zciA1 GLN 43 HG3 0.04 -0.04 -0.04 -0.04 2.39 2.31 2zciA1 GLN 43 HE21 -0.72 0.09 0.04 -0.04 6.97 6.34 2zciA1 GLN 43 HE22 0.06 -0.06 0.06 -0.04 7.69 7.70 2zciA1 ALA 44 H 0.06 0.08 -0.05 -0.55 8.40 7.95 2zciA1 ALA 44 HA 0.09 0.13 0.43 -0.75 4.34 4.24 2zciA1 ALA 44 HB3 0.05 0.03 0.04 -0.04 1.41 1.48 2zciA1 GLU 45 H 0.08 -0.02 -0.38 -0.55 8.60 7.73 2zciA1 GLU 45 HA 0.05 0.12 0.43 -0.75 4.29 4.13 2zciA1 GLU 45 HB2 0.05 -0.04 0.08 -0.04 2.09 2.13 2zciA1 GLU 45 HB3 0.08 0.16 0.04 -0.04 1.99 2.22 2zciA1 GLU 45 HG2 0.01 0.09 -0.46 -0.04 2.34 1.93 2zciA1 GLU 45 HG3 0.01 0.05 -0.02 -0.04 2.34 2.35 2zciA1 TRP 46 H 0.25 0.45 -0.14 -0.55 7.97 7.99 2zciA1 TRP 46 HA -0.08 0.02 0.49 -0.75 4.62 4.29 2zciA1 TRP 46 HB2 -0.05 0.05 0.06 -0.04 3.23 3.25 2zciA1 TRP 46 HB3 -0.02 0.05 0.18 -0.04 3.23 3.40 2zciA1 TRP 46 HD1 0.01 -0.02 -0.18 -0.04 7.22 6.99 2zciA1 TRP 46 HE1 0.12 0.05 -0.07 -0.04 10.20 10.26 2zciA1 TRP 46 HE3 -0.08 -0.01 0.02 -0.04 7.59 7.47 2zciA1 TRP 46 HZ2 0.13 0.12 -0.12 -0.04 7.44 7.53 2zciA1 TRP 46 HZ3 -0.10 0.22 -0.06 -0.04 7.13 7.15 2zciA1 TRP 46 HH2 -0.01 0.01 -0.16 -0.04 7.19 6.99 2zciA1 ASP 47 H 0.40 0.64 -0.04 -0.55 8.40 8.86 2zciA1 ASP 47 HA 0.17 0.03 0.44 -0.75 4.63 4.51 2zciA1 ASP 47 HB2 0.14 0.08 0.22 -0.04 2.71 3.11 2zciA1 ASP 47 HB3 0.12 -0.03 -0.02 -0.04 2.70 2.73 2zciA1 ARG 48 H 0.04 0.46 -0.36 -0.55 8.46 8.05 2zciA1 ARG 48 HA -0.00 0.03 0.45 -0.75 4.34 4.06 2zciA1 ARG 48 HB2 0.03 0.09 0.14 -0.04 1.90 2.12 2zciA1 ARG 48 HB3 0.01 0.12 0.16 -0.04 1.80 2.05 2zciA1 ARG 48 HG2 0.01 -0.00 -0.01 -0.04 1.67 1.63 2zciA1 ARG 48 HG3 0.02 -0.02 0.06 -0.04 1.67 1.68 2zciA1 ARG 48 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 2zciA1 ARG 48 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.19 2zciA1 MET 49 H -0.16 0.38 -0.29 -0.55 8.47 7.85 2zciA1 MET 49 HA -0.14 0.05 0.55 -0.75 4.52 4.22 2zciA1 MET 49 HB2 -0.37 0.10 0.17 -0.04 2.15 2.01 2zciA1 MET 49 HB3 -0.30 -0.04 0.04 -0.04 2.03 1.68 2zciA1 MET 49 HG2 -0.17 -0.04 -0.02 -0.04 2.63 2.37 2zciA1 MET 49 HG3 -0.13 0.38 0.08 -0.04 2.56 2.85 2zciA1 MET 49 HE3 -0.33 -0.02 -0.08 -0.04 2.10 1.63 2zciA1 ALA 50 H -0.45 0.63 0.02 -0.55 8.40 8.05 2zciA1 ALA 50 HA -0.53 0.02 0.43 -0.75 4.34 3.51 2zciA1 ALA 50 HB3 -0.91 0.03 0.01 -0.04 1.41 0.50 2zciA1 GLU 51 H -0.11 0.52 -0.24 -0.55 8.60 8.22 2zciA1 GLU 51 HA 0.02 0.03 0.50 -0.75 4.29 4.09 2zciA1 GLU 51 HB2 -0.01 0.08 0.14 -0.04 2.09 2.27 2zciA1 GLU 51 HB3 0.01 -0.01 -0.05 -0.04 1.99 1.89 2zciA1 GLU 51 HG2 0.04 -0.03 0.04 -0.04 2.34 2.35 2zciA1 GLU 51 HG3 0.06 -0.01 0.04 -0.04 2.34 2.39 2zciA1 ASP 52 H -0.07 0.41 -0.20 -0.55 8.40 8.00 2zciA1 ASP 52 HA -0.01 0.04 0.53 -0.75 4.63 4.44 2zciA1 ASP 52 HB2 -0.07 0.09 0.18 -0.04 2.71 2.87 2zciA1 ASP 52 HB3 -0.02 -0.04 0.00 -0.04 2.70 2.60 2zciA1 LEU 53 H -0.10 0.48 -0.25 -0.55 8.37 7.95 2zciA1 LEU 53 HA -0.02 0.08 0.64 -0.75 4.35 4.31 2zciA1 LEU 53 HB2 -0.13 0.09 0.08 -0.04 1.64 1.63 2zciA1 LEU 53 HB3 -0.01 -0.06 -0.05 -0.04 1.64 1.47 2zciA1 LEU 53 HG -0.12 0.10 -0.03 -0.04 1.64 1.55 2zciA1 LEU 53 HD13 -0.09 -0.03 -0.26 -0.04 0.93 0.50 2zciA1 LEU 53 HD23 -0.03 -0.03 -0.02 -0.04 0.89 0.77 2zciA1 VAL 54 H -0.01 0.67 -0.05 -0.55 8.24 8.30 2zciA1 VAL 54 HA 0.09 0.32 0.61 -0.75 4.13 4.39 2zciA1 VAL 54 HB 0.07 0.07 0.19 -0.04 2.12 2.41 2zciA1 VAL 54 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.89 2zciA1 VAL 54 HG23 0.21 -0.01 -0.09 -0.04 0.95 1.02 2zciA1 GLU 55 H 0.02 0.47 -0.16 -0.55 8.60 8.39 2zciA1 GLU 55 HA 0.03 0.03 0.56 -0.75 4.29 4.16 2zciA1 GLU 55 HB2 0.01 0.13 0.24 -0.04 2.09 2.43 2zciA1 GLU 55 HB3 0.02 -0.02 0.01 -0.04 1.99 1.96 2zciA1 GLU 55 HG2 0.02 -0.05 0.06 -0.04 2.34 2.34 2zciA1 GLU 55 HG3 0.03 -0.03 0.07 -0.04 2.34 2.36 2zciA1 ALA 56 H 0.02 0.55 0.01 -0.55 8.40 8.43 2zciA1 ALA 56 HA 0.02 0.04 0.41 -0.75 4.34 4.06 2zciA1 ALA 56 HB3 0.01 -0.00 0.22 -0.04 1.41 1.60 2zciA1 GLY 57 H 0.05 0.21 -1.16 -0.55 8.43 6.98 2zciA1 GLY 57 HA2 0.06 0.11 0.29 -0.51 4.01 3.97 2zciA1 GLY 57 HA3 0.06 -0.02 0.47 -0.51 4.01 4.00 2zciA1 THR 58 H 0.06 0.09 -0.37 -0.55 8.28 7.52 2zciA1 THR 58 HA 0.16 0.13 0.57 -0.75 4.39 4.49 2zciA1 THR 58 HB 0.06 -0.07 0.14 -0.04 4.32 4.40 2zciA1 THR 58 HG23 0.13 -0.05 -0.07 -0.04 1.22 1.20 2zciA1 LEU 59 H 0.10 0.28 -0.18 -0.55 8.37 8.02 2zciA1 LEU 59 HA 0.18 0.41 0.86 -0.75 4.35 5.05 2zciA1 LEU 59 HB2 0.12 -0.06 -0.26 -0.04 1.64 1.40 2zciA1 LEU 59 HB3 0.28 -0.03 -0.16 -0.04 1.64 1.68 2zciA1 LEU 59 HG 0.09 -0.07 -0.27 -0.04 1.64 1.35 2zciA1 LEU 59 HD13 -0.23 -0.01 -0.13 -0.04 0.93 0.51 2zciA1 LEU 59 HD23 0.28 0.01 -0.24 -0.04 0.89 0.89 2zciA1 ILE 60 H 0.20 0.38 0.26 -0.55 8.25 8.54 2zciA1 ILE 60 HA 0.11 0.13 0.74 -0.75 4.18 4.41 2zciA1 ILE 60 HB 0.11 -0.10 0.09 -0.04 1.89 1.96 2zciA1 ILE 60 HG12 0.08 0.08 -0.15 -0.04 1.49 1.46 2zciA1 ILE 60 HG13 0.10 0.07 -0.15 -0.04 1.21 1.19 2zciA1 ILE 60 HG23 0.06 0.04 -0.14 -0.04 0.93 0.85 2zciA1 ILE 60 HD13 0.06 -0.01 -0.08 -0.04 0.88 0.81 2zciA1 LYS 61 H 0.09 0.13 0.15 -0.55 8.42 8.23 2zciA1 LYS 61 HA -0.26 0.15 0.72 -0.75 4.32 4.18 2zciA1 LYS 61 HB2 0.10 -0.05 0.09 -0.04 1.87 1.97 2zciA1 LYS 61 HB3 0.01 -0.03 0.13 -0.04 1.79 1.86 2zciA1 LYS 61 HG2 -0.13 0.17 0.04 -0.04 1.46 1.50 2zciA1 LYS 61 HG3 -0.56 0.05 0.08 -0.04 1.46 1.00 2zciA1 LYS 61 HD2 0.15 -0.02 -0.01 -0.04 1.69 1.77 2zciA1 LYS 61 HD3 0.05 -0.02 0.02 -0.04 1.68 1.69 2zciA1 LYS 61 HE2 0.09 -0.03 0.03 -0.04 2.99 3.04 2zciA1 LYS 61 HE3 0.02 -0.03 0.05 -0.04 2.99 2.99 2zciA1 LEU 62 H -0.17 0.57 0.29 -0.55 8.37 8.51 2zciA1 LEU 62 HA -0.00 0.13 0.54 -0.75 4.35 4.26 2zciA1 LEU 62 HB2 0.01 0.09 -0.00 -0.04 1.64 1.69 2zciA1 LEU 62 HB3 0.00 -0.02 0.17 -0.04 1.64 1.76 2zciA1 LEU 62 HG 0.08 0.02 -0.35 -0.04 1.64 1.34 2zciA1 LEU 62 HD13 0.11 -0.03 -0.21 -0.04 0.93 0.76 2zciA1 LEU 62 HD23 0.02 0.00 -0.32 -0.04 0.89 0.56 2zciA1 ASN 63 H -0.01 0.66 0.25 -0.55 8.53 8.89 2zciA1 ASN 63 HA -0.00 0.02 0.53 -0.75 4.76 4.56 2zciA1 ASN 63 HB2 -0.00 0.17 0.04 -0.04 2.88 3.05 2zciA1 ASN 63 HB3 -0.00 -0.10 0.07 -0.04 2.79 2.72 2zciA1 ASN 63 HD21 0.00 -0.06 0.01 -0.04 7.03 6.93 2zciA1 ASN 63 HD22 -0.00 0.41 0.08 -0.04 7.74 8.19 2zciA1 GLU 64 H 0.00 0.18 0.20 -0.55 8.60 8.44 2zciA1 GLU 64 HA 0.01 0.18 0.23 -0.75 4.29 3.95 2zciA1 GLU 64 HB2 0.01 0.07 0.16 -0.04 2.09 2.29 2zciA1 GLU 64 HB3 0.01 -0.00 0.05 -0.04 1.99 2.01 2zciA1 GLU 64 HG2 0.02 0.03 0.02 -0.04 2.34 2.37 2zciA1 GLU 64 HG3 0.02 -0.05 0.18 -0.04 2.34 2.46 2zciA1 GLU 65 H 0.01 0.05 -0.28 -0.55 8.60 7.83 2zciA1 GLU 65 HA 0.01 0.11 0.36 -0.75 4.29 4.02 2zciA1 GLU 65 HB2 0.01 -0.06 0.05 -0.04 2.09 2.05 2zciA1 GLU 65 HB3 0.01 0.01 -0.06 -0.04 1.99 1.90 2zciA1 GLU 65 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2zciA1 GLU 65 HG3 0.01 0.04 0.06 -0.04 2.34 2.41 2zciA1 LYS 66 H 0.01 0.11 -0.60 -0.55 8.42 7.39 2zciA1 LYS 66 HA 0.01 0.17 0.79 -0.75 4.32 4.54 2zciA1 LYS 66 HB2 0.00 -0.07 -0.01 -0.04 1.87 1.75 2zciA1 LYS 66 HB3 0.00 0.00 -0.09 -0.04 1.79 1.67 2zciA1 LYS 66 HG2 -0.00 0.05 -0.00 -0.04 1.46 1.46 2zciA1 LYS 66 HG3 -0.00 -0.03 -0.21 -0.04 1.46 1.18 2zciA1 LYS 66 HD2 -0.01 -0.01 -0.10 -0.04 1.69 1.52 2zciA1 LYS 66 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.56 2zciA1 LYS 66 HE2 -0.01 0.02 -0.07 -0.04 2.99 2.89 2zciA1 LYS 66 HE3 -0.01 -0.02 -0.06 -0.04 2.99 2.85 2zciA1 ARG 67 H 0.02 0.69 0.01 -0.55 8.46 8.63 2zciA1 ARG 67 HA 0.07 0.28 0.63 -0.75 4.34 4.56 2zciA1 ARG 67 HB2 0.07 -0.10 0.08 -0.04 1.90 1.92 2zciA1 ARG 67 HB3 0.17 0.01 0.04 -0.04 1.80 1.98 2zciA1 ARG 67 HG2 0.07 0.35 -0.09 -0.04 1.67 1.96 2zciA1 ARG 67 HG3 0.02 -0.19 -0.42 -0.04 1.67 1.04 2zciA1 ARG 67 HD2 -0.05 -0.16 -0.03 -0.04 3.22 2.94 2zciA1 ARG 67 HD3 0.06 -0.05 -0.05 -0.04 3.22 3.13 2zciA1 PRO 68 HA 0.03 -0.06 0.48 -0.51 4.44 4.38 2zciA1 PRO 68 HB2 0.04 0.10 0.14 -0.04 2.28 2.52 2zciA1 PRO 68 HB3 0.04 -0.06 0.13 -0.04 2.02 2.08 2zciA1 PRO 68 HG2 0.03 0.13 0.01 -0.04 2.03 2.16 2zciA1 PRO 68 HG3 0.03 0.09 0.03 -0.04 2.03 2.14 2zciA1 PRO 68 HD2 0.05 0.15 -0.30 -0.04 3.68 3.54 2zciA1 PRO 68 HD3 0.04 0.17 -0.36 -0.04 3.65 3.46 2zciA1 ASN 69 H 0.03 0.11 0.24 -0.55 8.53 8.36 2zciA1 ASN 69 HA 0.15 0.00 0.36 -0.75 4.76 4.52 2zciA1 ASN 69 HB2 0.12 -0.02 -0.05 -0.04 2.88 2.89 2zciA1 ASN 69 HB3 0.10 0.11 -0.38 -0.04 2.79 2.58 2zciA1 ASN 69 HD21 -0.13 -0.03 0.04 -0.04 7.03 6.87 2zciA1 ASN 69 HD22 -0.01 0.06 0.02 -0.04 7.74 7.77 2zciA1 SER 70 H -0.05 0.23 -0.30 -0.55 8.46 7.78 2zciA1 SER 70 HA 0.31 0.30 0.99 -0.75 4.49 5.33 2zciA1 SER 70 HB2 0.18 -0.02 -0.07 -0.04 3.95 4.00 2zciA1 SER 70 HB3 0.41 0.02 0.07 -0.04 3.93 4.38 2zciA1 TYR 71 H 0.44 0.45 0.34 -0.55 8.29 8.98 2zciA1 TYR 71 HA 0.19 0.30 0.98 -0.75 4.56 5.28 2zciA1 TYR 71 HB2 0.17 -0.05 0.00 -0.04 3.06 3.14 2zciA1 TYR 71 HB3 0.14 0.00 -0.09 -0.04 2.98 2.98 2zciA1 TYR 71 HD2 0.18 0.06 -0.24 -0.04 7.15 7.10 2zciA1 TYR 71 HE2 0.22 0.08 -0.19 -0.04 6.85 6.92 2zciA1 LEU 72 H 0.25 0.62 0.30 -0.55 8.37 9.00 2zciA1 LEU 72 HA 0.33 0.16 0.91 -0.75 4.35 5.00 2zciA1 LEU 72 HB2 0.13 -0.01 -0.03 -0.04 1.64 1.69 2zciA1 LEU 72 HB3 0.14 -0.03 0.12 -0.04 1.64 1.83 2zciA1 LEU 72 HG 0.15 0.00 -0.45 -0.04 1.64 1.29 2zciA1 LEU 72 HD13 0.19 0.02 -0.11 -0.04 0.93 0.98 2zciA1 LEU 72 HD23 0.09 0.03 -0.22 -0.04 0.89 0.74 2zciA1 ALA 73 H 0.29 0.95 0.36 -0.55 8.40 9.45 2zciA1 ALA 73 HA 0.18 0.37 1.06 -0.75 4.34 5.20 2zciA1 ALA 73 HB3 0.23 -0.03 0.05 -0.04 1.41 1.62 2zciA1 ARG 74 H 0.07 0.51 0.17 -0.55 8.46 8.66 2zciA1 ARG 74 HA 0.00 -0.03 0.95 -0.75 4.34 4.51 2zciA1 ARG 74 HB2 0.02 0.00 0.05 -0.04 1.90 1.93 2zciA1 ARG 74 HB3 0.06 0.38 0.17 -0.04 1.80 2.37 2zciA1 ARG 74 HG2 0.10 -0.16 -0.60 -0.04 1.67 0.97 2zciA1 ARG 74 HG3 0.07 0.04 -0.13 -0.04 1.67 1.62 2zciA1 ARG 74 HD2 0.08 0.33 -0.01 -0.04 3.22 3.58 2zciA1 ARG 74 HD3 0.14 -0.02 -0.10 -0.04 3.22 3.20 2zciA1 SER 75 H -0.30 0.08 0.07 -0.55 8.46 7.77 2zciA1 SER 75 HA -1.66 0.14 0.74 -0.75 4.49 2.96 2zciA1 SER 75 HB2 -1.96 0.03 0.04 -0.04 3.95 2.02 2zciA1 SER 75 HB3 -1.50 -0.06 -0.06 -0.04 3.93 2.27 2zciA1 ASN 76 H -0.56 0.16 0.09 -0.55 8.53 7.67 2zciA1 ASN 76 HA -0.04 0.18 0.68 -0.75 4.76 4.83 2zciA1 ASN 76 HB2 0.17 0.13 0.14 -0.04 2.88 3.27 2zciA1 ASN 76 HB3 0.18 -0.03 0.12 -0.04 2.79 3.01 2zciA1 ASN 76 HD21 0.07 -0.01 -0.02 -0.04 7.03 7.04 2zciA1 ASN 76 HD22 0.14 0.11 0.01 -0.04 7.74 7.95 2zciA1 PRO 77 HA 0.38 0.05 0.31 -0.51 4.44 4.67 2zciA1 PRO 77 HB2 0.04 -0.01 -0.00 -0.04 2.28 2.26 2zciA1 PRO 77 HB3 0.12 0.01 0.02 -0.04 2.02 2.13 2zciA1 PRO 77 HG2 -0.11 0.04 0.08 -0.04 2.03 2.00 2zciA1 PRO 77 HG3 -0.30 0.04 0.07 -0.04 2.03 1.79 2zciA1 PRO 77 HD2 -0.05 0.06 0.27 -0.04 3.68 3.92 2zciA1 PRO 77 HD3 -0.12 0.46 0.22 -0.04 3.65 4.17 2zciA1 SER 78 H 0.04 0.06 -0.50 -0.55 8.46 7.51 2zciA1 SER 78 HA 0.03 0.05 0.32 -0.75 4.49 4.14 2zciA1 SER 78 HB2 0.07 0.08 -0.19 -0.04 3.95 3.87 2zciA1 SER 78 HB3 0.04 0.01 0.04 -0.04 3.93 3.99 2zciA1 ASP 79 H 0.02 0.59 -0.25 -0.55 8.40 8.21 2zciA1 ASP 79 HA -0.03 0.21 0.62 -0.75 4.63 4.67 2zciA1 ASP 79 HB2 0.11 0.01 0.14 -0.04 2.71 2.93 2zciA1 ASP 79 HB3 0.12 0.10 -0.08 -0.04 2.70 2.80 2zciA1 VAL 80 H -0.19 0.21 -0.21 -0.55 8.24 7.49 2zciA1 VAL 80 HA -0.91 0.27 0.80 -0.75 4.13 3.53 2zciA1 VAL 80 HB -0.30 0.19 0.03 -0.04 2.12 2.00 2zciA1 VAL 80 HG13 -1.26 -0.03 -0.01 -0.04 0.97 -0.37 2zciA1 VAL 80 HG23 -0.36 0.01 -0.28 -0.04 0.95 0.27 2zciA1 ALA 81 H -0.31 0.23 -0.18 -0.55 8.40 7.60 2zciA1 ALA 81 HA -0.13 0.06 0.26 -0.75 4.34 3.77 2zciA1 ALA 81 HB3 -0.07 0.02 -0.01 -0.04 1.41 1.31 2zciA1 ARG 82 H 0.07 0.14 0.04 -0.55 8.46 8.16 2zciA1 ARG 82 HA 0.02 0.06 0.25 -0.75 4.34 3.91 2zciA1 ARG 82 HB2 -0.03 0.09 -0.64 -0.04 1.90 1.29 2zciA1 ARG 82 HB3 -0.01 -0.39 0.08 -0.04 1.80 1.44 2zciA1 ARG 82 HG2 -0.01 0.01 -0.04 -0.04 1.67 1.59 2zciA1 ARG 82 HG3 -0.02 0.06 -0.09 -0.04 1.67 1.58 2zciA1 ARG 82 HD2 -0.01 0.03 -0.00 -0.04 3.22 3.20 2zciA1 ARG 82 HD3 -0.01 0.05 -0.02 -0.04 3.22 3.21 2zciA1 VAL 83 H 0.00 0.12 0.02 -0.55 8.24 7.84 2zciA1 VAL 83 HA -0.01 -0.05 0.25 -0.75 4.13 3.57 2zciA1 VAL 83 HB 0.01 0.05 0.07 -0.04 2.12 2.21 2zciA1 VAL 83 HG13 0.00 0.00 0.01 -0.04 0.97 0.95 2zciA1 VAL 83 HG23 0.07 0.05 -0.24 -0.04 0.95 0.79 2zciA1 GLU 84 H -0.02 -0.00 -0.45 -0.55 8.60 7.58 2zciA1 GLU 84 HA -0.06 0.19 0.55 -0.75 4.29 4.21 2zciA1 GLU 84 HB2 -0.05 -0.09 0.06 -0.04 2.09 1.97 2zciA1 GLU 84 HB3 -0.07 0.09 0.04 -0.04 1.99 2.01 2zciA1 GLU 84 HG2 -0.08 0.12 0.04 -0.04 2.34 2.38 2zciA1 GLU 84 HG3 -0.02 0.01 -0.08 -0.04 2.34 2.20 2zciA1 SER 85 H -0.05 -0.01 -0.19 -0.55 8.46 7.67 2zciA1 SER 85 HA -0.09 0.07 0.41 -0.75 4.49 4.12 2zciA1 SER 85 HB2 -0.03 -0.06 0.06 -0.04 3.95 3.87 2zciA1 SER 85 HB3 -0.04 0.01 -0.13 -0.04 3.93 3.73 2zciA1 ARG 86 H -0.10 0.52 -0.68 -0.55 8.46 7.65 2zciA1 ARG 86 HA -0.24 0.13 0.79 -0.75 4.34 4.27 2zciA1 ARG 86 HB2 -0.02 -0.03 0.06 -0.04 1.90 1.87 2zciA1 ARG 86 HB3 0.09 0.00 0.36 -0.04 1.80 2.21 2zciA1 ARG 86 HG2 -0.03 -0.15 -0.32 -0.04 1.67 1.13 2zciA1 ARG 86 HG3 -0.15 0.05 0.07 -0.04 1.67 1.61 2zciA1 ARG 86 HD2 0.11 -0.03 0.06 -0.04 3.22 3.33 2zciA1 ARG 86 HD3 0.25 0.12 0.11 -0.04 3.22 3.66 2zciA1 THR 87 H -0.38 0.41 -0.03 -0.55 8.28 7.73 2zciA1 THR 87 HA 0.03 0.28 0.95 -0.75 4.39 4.91 2zciA1 THR 87 HB -0.10 0.02 0.23 -0.04 4.32 4.43 2zciA1 THR 87 HG23 0.03 -0.02 -0.04 -0.04 1.22 1.16 2zciA1 PHE 88 H 0.13 0.50 0.33 -0.55 8.34 8.75 2zciA1 PHE 88 HA -0.01 0.21 0.65 -0.75 4.62 4.71 2zciA1 PHE 88 HB2 -0.12 -0.04 0.14 -0.04 3.15 3.09 2zciA1 PHE 88 HB3 -0.16 -0.05 -0.27 -0.04 3.06 2.54 2zciA1 PHE 88 HD2 0.00 0.04 -0.41 -0.04 7.28 6.88 2zciA1 PHE 88 HE2 0.11 0.05 -0.10 -0.04 7.38 7.40 2zciA1 PHE 88 HZ 0.08 0.01 -0.03 -0.04 7.32 7.34 2zciA1 ILE 89 H 0.11 0.70 0.27 -0.55 8.25 8.77 2zciA1 ILE 89 HA -0.00 0.11 1.06 -0.75 4.18 4.59 2zciA1 ILE 89 HB 0.06 0.01 0.15 -0.04 1.89 2.07 2zciA1 ILE 89 HG12 0.10 0.11 -0.02 -0.04 1.49 1.63 2zciA1 ILE 89 HG13 0.19 -0.15 0.12 -0.04 1.21 1.33 2zciA1 ILE 89 HG23 0.04 0.05 -0.07 -0.04 0.93 0.90 2zciA1 ILE 89 HD13 0.12 0.06 -0.04 -0.04 0.88 0.98 2zciA1 CYS 90 H -0.17 0.73 0.20 -0.55 8.50 8.71 2zciA1 CYS 90 HA -0.17 0.16 0.82 -0.75 4.58 4.63 2zciA1 CYS 90 HB2 -0.54 0.07 0.15 -0.04 2.97 2.61 2zciA1 CYS 90 HB3 -0.09 -0.12 0.07 -0.04 2.97 2.80 2zciA1 SER 91 H 0.35 0.30 -0.11 -0.55 8.46 8.45 2zciA1 SER 91 HA 0.15 0.00 0.54 -0.75 4.49 4.43 2zciA1 SER 91 HB2 0.17 -0.13 0.05 -0.04 3.95 3.99 2zciA1 SER 91 HB3 0.15 0.10 -0.01 -0.04 3.93 4.12 2zciA1 GLU 92 H 0.14 0.11 0.19 -0.55 8.60 8.49 2zciA1 GLU 92 HA 0.21 0.09 0.67 -0.75 4.29 4.51 2zciA1 GLU 92 HB2 0.08 -0.01 0.19 -0.04 2.09 2.31 2zciA1 GLU 92 HB3 0.09 0.02 0.01 -0.04 1.99 2.07 2zciA1 GLU 92 HG2 0.06 -0.00 0.09 -0.04 2.34 2.45 2zciA1 GLU 92 HG3 0.08 0.01 0.12 -0.04 2.34 2.50 2zciA1 LYS 93 H 0.12 0.10 -0.09 -0.55 8.42 8.00 2zciA1 LYS 93 HA -0.03 0.20 0.85 -0.75 4.32 4.59 2zciA1 LYS 93 HB2 -0.01 0.03 0.10 -0.04 1.87 1.95 2zciA1 LYS 93 HB3 -0.09 -0.12 -0.03 -0.04 1.79 1.51 2zciA1 LYS 93 HG2 -0.04 0.03 0.01 -0.04 1.46 1.43 2zciA1 LYS 93 HG3 0.00 0.10 -0.05 -0.04 1.46 1.47 2zciA1 LYS 93 HD2 0.01 0.05 -0.04 -0.04 1.69 1.67 2zciA1 LYS 93 HD3 0.03 -0.08 -0.03 -0.04 1.68 1.56 2zciA1 LYS 93 HE2 0.00 0.03 0.00 -0.04 2.99 2.99 2zciA1 LYS 93 HE3 -0.02 -0.03 -0.00 -0.04 2.99 2.89 2zciA1 GLU 94 H -0.57 0.23 0.16 -0.55 8.60 7.87 2zciA1 GLU 94 HA -2.01 0.19 0.13 -0.75 4.29 1.85 2zciA1 GLU 94 HB2 -1.79 0.10 0.08 -0.04 2.09 0.44 2zciA1 GLU 94 HB3 -2.14 0.05 0.11 -0.04 1.99 -0.04 2zciA1 GLU 94 HG2 -0.56 0.05 0.01 -0.04 2.34 1.80 2zciA1 GLU 94 HG3 -0.49 -0.09 0.05 -0.04 2.34 1.78 2zciA1 GLU 95 H -0.26 0.00 -0.36 -0.55 8.60 7.44 2zciA1 GLU 95 HA -0.18 0.15 0.66 -0.75 4.29 4.17 2zciA1 GLU 95 HB2 -0.10 0.05 0.05 -0.04 2.09 2.05 2zciA1 GLU 95 HB3 -0.15 0.07 0.04 -0.04 1.99 1.90 2zciA1 GLU 95 HG2 -0.14 0.07 -0.00 -0.04 2.34 2.23 2zciA1 GLU 95 HG3 -0.19 0.00 -0.01 -0.04 2.34 2.10 2zciA1 ASP 96 H -0.10 0.24 -0.24 -0.55 8.40 7.75 2zciA1 ASP 96 HA 0.04 0.08 0.71 -0.75 4.63 4.70 2zciA1 ASP 96 HB2 0.04 0.20 0.17 -0.04 2.71 3.08 2zciA1 ASP 96 HB3 0.07 0.03 0.10 -0.04 2.70 2.86 2zciA1 ALA 97 H -0.06 0.07 -0.42 -0.55 8.40 7.44 2zciA1 ALA 97 HA 0.10 0.14 0.56 -0.75 4.34 4.39 2zciA1 ALA 97 HB3 0.23 0.05 0.06 -0.04 1.41 1.70 2zciA1 GLY 98 H -0.11 0.35 0.18 -0.55 8.43 8.31 2zciA1 GLY 98 HA2 -0.12 -0.01 0.39 -0.51 4.01 3.77 2zciA1 GLY 98 HA3 -0.10 -0.05 0.31 -0.51 4.01 3.67 2zciA1 PRO 99 HA -0.12 0.11 0.16 -0.51 4.44 4.08 2zciA1 PRO 99 HB2 -0.81 0.07 0.07 -0.04 2.28 1.57 2zciA1 PRO 99 HB3 -0.35 -0.03 0.13 -0.04 2.02 1.73 2zciA1 PRO 99 HG2 -0.54 -0.01 0.01 -0.04 2.03 1.46 2zciA1 PRO 99 HG3 -0.54 0.21 0.06 -0.04 2.03 1.72 2zciA1 PRO 99 HD2 -0.20 -0.09 0.27 -0.04 3.68 3.62 2zciA1 PRO 99 HD3 -0.21 0.06 0.24 -0.04 3.65 3.70 2zciA1 THR 100 H -0.14 0.03 -0.18 -0.55 8.28 7.45 2zciA1 THR 100 HA 0.07 0.21 0.97 -0.75 4.39 4.89 2zciA1 THR 100 HB 0.02 0.02 0.19 -0.04 4.32 4.50 2zciA1 THR 100 HG23 -0.09 -0.03 0.00 -0.04 1.22 1.06 2zciA1 ASN 101 H -0.03 0.44 -0.07 -0.55 8.53 8.33 2zciA1 ASN 101 HA -0.03 0.17 0.97 -0.75 4.76 5.12 2zciA1 ASN 101 HB2 0.02 0.11 -0.16 -0.04 2.88 2.81 2zciA1 ASN 101 HB3 0.05 0.00 0.01 -0.04 2.79 2.81 2zciA1 ASN 101 HD21 -0.05 0.29 -0.10 -0.04 7.03 7.13 2zciA1 ASN 101 HD22 0.00 0.07 -0.13 -0.04 7.74 7.64 2zciA1 ASN 102 H -0.04 0.20 0.19 -0.55 8.53 8.34 2zciA1 ASN 102 HA 0.06 0.07 0.79 -0.75 4.76 4.92 2zciA1 ASN 102 HB2 -0.31 0.35 0.27 -0.04 2.88 3.15 2zciA1 ASN 102 HB3 -0.25 -0.05 0.01 -0.04 2.79 2.46 2zciA1 ASN 102 HD21 -0.14 -0.12 0.01 -0.04 7.03 6.74 2zciA1 ASN 102 HD22 -0.28 0.27 0.18 -0.04 7.74 7.87 2zciA1 TRP 103 H 0.30 0.22 0.20 -0.55 7.97 8.14 2zciA1 TRP 103 HA 0.14 0.29 0.94 -0.75 4.62 5.24 2zciA1 TRP 103 HB2 0.03 0.10 -0.16 -0.04 3.23 3.16 2zciA1 TRP 103 HB3 0.05 -0.05 0.03 -0.04 3.23 3.22 2zciA1 TRP 103 HD1 0.03 0.15 0.15 -0.04 7.22 7.51 2zciA1 TRP 103 HE1 0.02 0.52 -0.23 -0.04 10.20 10.47 2zciA1 TRP 103 HE3 0.04 0.03 -0.21 -0.04 7.59 7.42 2zciA1 TRP 103 HZ2 0.01 0.21 -0.07 -0.04 7.44 7.55 2zciA1 TRP 103 HZ3 0.02 -0.01 -0.06 -0.04 7.13 7.04 2zciA1 TRP 103 HH2 0.01 -0.03 -0.00 -0.04 7.19 7.12 2zciA1 ALA 104 H -0.94 0.35 0.12 -0.55 8.40 7.38 2zciA1 ALA 104 HA -0.76 0.09 0.25 -0.75 4.34 3.17 2zciA1 ALA 104 HB3 -0.43 0.04 0.00 -0.04 1.41 0.98 2zciA1 PRO 105 HA -0.63 0.23 0.52 -0.51 4.44 4.05 2zciA1 PRO 105 HB2 -0.19 -0.18 0.08 -0.04 2.28 1.95 2zciA1 PRO 105 HB3 -0.08 0.07 0.12 -0.04 2.02 2.09 2zciA1 PRO 105 HG2 -0.11 0.04 0.08 -0.04 2.03 2.00 2zciA1 PRO 105 HG3 -0.28 0.08 0.06 -0.04 2.03 1.85 2zciA1 PRO 105 HD2 -0.34 0.06 0.14 -0.04 3.68 3.50 2zciA1 PRO 105 HD3 -0.48 0.17 0.16 -0.04 3.65 3.46 2zciA1 PRO 106 HA 0.08 0.11 0.31 -0.51 4.44 4.43 2zciA1 PRO 106 HB2 -0.05 -0.05 0.05 -0.04 2.28 2.19 2zciA1 PRO 106 HB3 0.08 0.10 0.07 -0.04 2.02 2.23 2zciA1 PRO 106 HG2 0.04 -0.05 0.07 -0.04 2.03 2.05 2zciA1 PRO 106 HG3 0.09 0.12 -0.31 -0.04 2.03 1.90 2zciA1 PRO 106 HD2 0.00 0.06 0.25 -0.04 3.68 3.95 2zciA1 PRO 106 HD3 -0.10 0.41 0.03 -0.04 3.65 3.95 2zciA1 GLN 107 H -0.09 0.13 -0.11 -0.55 8.47 7.85 2zciA1 GLN 107 HA -0.15 0.09 0.26 -0.75 4.36 3.80 2zciA1 GLN 107 HB2 -0.07 0.02 0.10 -0.04 2.15 2.16 2zciA1 GLN 107 HB3 -0.06 -0.01 0.08 -0.04 2.02 1.98 2zciA1 GLN 107 HG2 -0.05 0.03 -0.00 -0.04 2.40 2.34 2zciA1 GLN 107 HG3 -0.06 0.02 -0.07 -0.04 2.39 2.24 2zciA1 GLN 107 HE21 -0.05 0.04 -0.02 -0.04 6.97 6.89 2zciA1 GLN 107 HE22 -0.05 0.01 -0.04 -0.04 7.69 7.58 2zciA1 ALA 108 H -0.11 0.06 -0.13 -0.55 8.40 7.68 2zciA1 ALA 108 HA -0.09 0.01 0.38 -0.75 4.34 3.88 2zciA1 ALA 108 HB3 -0.13 0.05 0.05 -0.04 1.41 1.34 2zciA1 MET 109 H -0.18 0.44 -0.45 -0.55 8.47 7.73 2zciA1 MET 109 HA -0.26 0.05 0.71 -0.75 4.52 4.27 2zciA1 MET 109 HB2 -0.27 0.12 -0.14 -0.04 2.15 1.82 2zciA1 MET 109 HB3 -0.05 0.03 -0.05 -0.04 2.03 1.91 2zciA1 MET 109 HG2 -0.57 0.02 -0.13 -0.04 2.63 1.91 2zciA1 MET 109 HG3 -0.41 -0.04 -0.03 -0.04 2.56 2.04 2zciA1 MET 109 HE3 -0.55 -0.01 -0.04 -0.04 2.10 1.47 2zciA1 LYS 110 H -0.17 0.55 0.05 -0.55 8.42 8.29 2zciA1 LYS 110 HA -0.02 0.01 0.40 -0.75 4.32 3.95 2zciA1 LYS 110 HB2 -0.16 0.02 0.12 -0.04 1.87 1.81 2zciA1 LYS 110 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.73 2zciA1 LYS 110 HG2 -1.41 -0.02 -0.02 -0.04 1.46 -0.03 2zciA1 LYS 110 HG3 -0.64 0.17 0.03 -0.04 1.46 0.98 2zciA1 LYS 110 HD2 -0.45 -0.05 -0.05 -0.04 1.69 1.10 2zciA1 LYS 110 HD3 -0.33 0.00 -0.03 -0.04 1.68 1.28 2zciA1 LYS 110 HE2 -1.90 0.02 -0.07 -0.04 2.99 1.00 2zciA1 LYS 110 HE3 -1.73 -0.02 -0.06 -0.04 2.99 1.15 2zciA1 ASP 111 H -0.07 0.49 -0.15 -0.55 8.40 8.12 2zciA1 ASP 111 HA -0.01 0.04 0.47 -0.75 4.63 4.37 2zciA1 ASP 111 HB2 -0.06 0.06 0.05 -0.04 2.71 2.71 2zciA1 ASP 111 HB3 -0.05 -0.01 -0.04 -0.04 2.70 2.56 2zciA1 GLU 112 H -0.12 0.53 -0.06 -0.55 8.60 8.41 2zciA1 GLU 112 HA -0.08 0.01 0.52 -0.75 4.29 3.98 2zciA1 GLU 112 HB2 -0.16 0.01 0.15 -0.04 2.09 2.04 2zciA1 GLU 112 HB3 -0.31 0.09 0.19 -0.04 1.99 1.92 2zciA1 GLU 112 HG2 -0.28 -0.00 -0.04 -0.04 2.34 1.98 2zciA1 GLU 112 HG3 -0.44 0.01 -0.27 -0.04 2.34 1.59 2zciA1 MET 113 H -0.19 0.68 -0.09 -0.55 8.47 8.32 2zciA1 MET 113 HA -0.36 -0.00 0.28 -0.75 4.52 3.68 2zciA1 MET 113 HB2 0.19 0.06 -0.00 -0.04 2.15 2.35 2zciA1 MET 113 HB3 -0.42 -0.05 -0.10 -0.04 2.03 1.42 2zciA1 MET 113 HG2 -0.59 -0.06 -0.07 -0.04 2.63 1.87 2zciA1 MET 113 HG3 -0.17 0.25 -0.04 -0.04 2.56 2.57 2zciA1 MET 113 HE3 0.05 0.02 -0.24 -0.04 2.10 1.89 2zciA1 SER 114 H 0.04 0.81 -0.07 -0.55 8.46 8.69 2zciA1 SER 114 HA 0.00 -0.04 0.51 -0.75 4.49 4.20 2zciA1 SER 114 HB2 -0.00 0.03 -0.02 -0.04 3.95 3.92 2zciA1 SER 114 HB3 -0.02 -0.06 0.07 -0.04 3.93 3.87 2zciA1 LYS 115 H -0.10 0.59 -0.36 -0.55 8.42 8.00 2zciA1 LYS 115 HA -0.12 0.02 0.56 -0.75 4.32 4.02 2zciA1 LYS 115 HB2 -0.13 -0.11 0.12 -0.04 1.87 1.71 2zciA1 LYS 115 HB3 -0.11 0.19 0.22 -0.04 1.79 2.05 2zciA1 LYS 115 HG2 -0.29 0.16 0.10 -0.04 1.46 1.39 2zciA1 LYS 115 HG3 -0.46 -0.03 -0.18 -0.04 1.46 0.75 2zciA1 LYS 115 HD2 -0.13 -0.05 0.00 -0.04 1.69 1.47 2zciA1 LYS 115 HD3 -0.10 -0.03 0.03 -0.04 1.68 1.54 2zciA1 LYS 115 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 2zciA1 LYS 115 HE3 -0.01 0.01 0.00 -0.04 2.99 2.94 2zciA1 HIS 116 H -0.16 0.30 -0.16 -0.55 8.41 7.85 2zciA1 HIS 116 HA -0.18 0.09 0.50 -0.75 4.63 4.28 2zciA1 HIS 116 HB2 -0.88 0.09 0.08 -0.04 3.26 2.50 2zciA1 HIS 116 HB3 -1.41 -0.05 0.01 -0.04 3.20 1.70 2zciA1 HIS 116 HD2 -0.27 0.21 -0.14 -0.04 6.97 6.73 2zciA1 HIS 116 HE1 0.09 -0.05 -0.04 -0.04 7.75 7.70 2zciA1 TYR 117 H -0.12 0.29 -0.18 -0.55 8.29 7.73 2zciA1 TYR 117 HA -0.02 -0.04 0.25 -0.75 4.56 3.99 2zciA1 TYR 117 HB2 -0.37 0.02 0.10 -0.04 3.06 2.77 2zciA1 TYR 117 HB3 -1.00 -0.08 -0.13 -0.04 2.98 1.73 2zciA1 TYR 117 HD2 -0.07 -0.03 -0.11 -0.04 7.15 6.90 2zciA1 TYR 117 HE2 -0.11 -0.01 -0.02 -0.04 6.85 6.68 2zciA1 ALA 118 H -0.08 0.43 -0.18 -0.55 8.40 8.03 2zciA1 ALA 118 HA -0.12 0.03 0.43 -0.75 4.34 3.93 2zciA1 ALA 118 HB3 -0.07 0.03 0.10 -0.04 1.41 1.43 2zciA1 GLY 119 H -0.04 0.59 0.32 -0.55 8.43 8.76 2zciA1 GLY 119 HA2 0.02 0.04 0.25 -0.51 4.01 3.81 2zciA1 GLY 119 HA3 0.01 -0.00 0.50 -0.51 4.01 4.01 2zciA1 SER 120 H 0.13 0.58 -0.13 -0.55 8.46 8.49 2zciA1 SER 120 HA 0.12 0.12 0.25 -0.75 4.49 4.22 2zciA1 SER 120 HB2 0.24 -0.30 0.09 -0.04 3.95 3.94 2zciA1 SER 120 HB3 0.29 0.21 0.04 -0.04 3.93 4.43 2zciA1 MET 121 H 0.12 0.59 -0.25 -0.55 8.47 8.38 2zciA1 MET 121 HA -0.02 0.18 0.80 -0.75 4.52 4.73 2zciA1 MET 121 HB2 -0.03 0.08 -0.32 -0.04 2.15 1.85 2zciA1 MET 121 HB3 -0.12 -0.08 -0.09 -0.04 2.03 1.70 2zciA1 MET 121 HG2 -0.15 -0.05 -0.19 -0.04 2.63 2.19 2zciA1 MET 121 HG3 -0.03 -0.01 -0.18 -0.04 2.56 2.30 2zciA1 MET 121 HE3 -1.12 -0.04 -0.18 -0.04 2.10 0.72 2zciA1 LYS 122 H 0.03 0.34 -0.26 -0.55 8.42 7.97 2zciA1 LYS 122 HA -0.01 0.10 0.58 -0.75 4.32 4.23 2zciA1 LYS 122 HB2 0.01 0.20 0.20 -0.04 1.87 2.24 2zciA1 LYS 122 HB3 0.01 -0.10 0.03 -0.04 1.79 1.69 2zciA1 LYS 122 HG2 -0.00 0.08 -0.03 -0.04 1.46 1.46 2zciA1 LYS 122 HG3 -0.00 -0.03 0.10 -0.04 1.46 1.49 2zciA1 LYS 122 HD2 0.01 -0.02 -0.07 -0.04 1.69 1.57 2zciA1 LYS 122 HD3 0.00 -0.10 -0.00 -0.04 1.68 1.53 2zciA1 LYS 122 HE2 -0.00 -0.00 0.05 -0.04 2.99 3.00 2zciA1 LYS 122 HE3 0.01 0.14 0.08 -0.04 2.99 3.18 2zciA1 GLY 123 H -0.02 0.08 0.26 -0.55 8.43 8.20 2zciA1 GLY 123 HA2 -0.02 -0.05 0.40 -0.51 4.01 3.83 2zciA1 GLY 123 HA3 -0.01 0.19 0.56 -0.51 4.01 4.23 2zciA1 ARG 124 H -0.05 0.73 0.01 -0.55 8.46 8.60 2zciA1 ARG 124 HA -0.06 0.20 1.08 -0.75 4.34 4.80 2zciA1 ARG 124 HB2 -0.09 -0.03 0.01 -0.04 1.90 1.74 2zciA1 ARG 124 HB3 -0.08 -0.07 0.19 -0.04 1.80 1.80 2zciA1 ARG 124 HG2 -0.03 0.06 -0.39 -0.04 1.67 1.26 2zciA1 ARG 124 HG3 -0.04 0.11 -0.17 -0.04 1.67 1.53 2zciA1 ARG 124 HD2 -0.06 -0.13 0.02 -0.04 3.22 3.01 2zciA1 ARG 124 HD3 -0.04 -0.04 0.07 -0.04 3.22 3.17 2zciA1 THR 125 H -0.15 0.14 0.16 -0.55 8.28 7.88 2zciA1 THR 125 HA -0.26 0.16 0.93 -0.75 4.39 4.48 2zciA1 THR 125 HB -0.61 -0.05 0.05 -0.04 4.32 3.67 2zciA1 THR 125 HG23 -0.61 -0.00 -0.28 -0.04 1.22 0.28 2zciA1 MET 126 H -0.29 0.63 0.32 -0.55 8.47 8.58 2zciA1 MET 126 HA -0.33 0.18 0.81 -0.75 4.52 4.43 2zciA1 MET 126 HB2 -0.28 0.02 0.06 -0.04 2.15 1.91 2zciA1 MET 126 HB3 -0.26 -0.04 0.22 -0.04 2.03 1.91 2zciA1 MET 126 HG2 -0.30 -0.02 -0.30 -0.04 2.63 1.96 2zciA1 MET 126 HG3 -0.40 -0.00 -0.02 -0.04 2.56 2.10 2zciA1 MET 126 HE3 -0.48 -0.01 -0.24 -0.04 2.10 1.33 2zciA1 TYR 127 H -0.15 0.70 0.29 -0.55 8.29 8.58 2zciA1 TYR 127 HA -0.12 0.29 0.92 -0.75 4.56 4.90 2zciA1 TYR 127 HB2 -0.09 -0.03 0.06 -0.04 3.06 2.96 2zciA1 TYR 127 HB3 -0.07 -0.02 -0.08 -0.04 2.98 2.76 2zciA1 TYR 127 HD2 -0.06 0.04 -0.16 -0.04 7.15 6.93 2zciA1 TYR 127 HE2 -0.05 -0.00 -0.16 -0.04 6.85 6.60 2zciA1 VAL 128 H -0.06 0.56 0.28 -0.55 8.24 8.48 2zciA1 VAL 128 HA -0.14 0.16 0.70 -0.75 4.13 4.09 2zciA1 VAL 128 HB -0.85 -0.10 0.11 -0.04 2.12 1.25 2zciA1 VAL 128 HG13 -0.49 0.01 -0.12 -0.04 0.97 0.32 2zciA1 VAL 128 HG23 -0.51 0.02 -0.24 -0.04 0.95 0.18 2zciA1 VAL 129 H 0.06 0.49 0.13 -0.55 8.24 8.37 2zciA1 VAL 129 HA 0.07 0.15 0.85 -0.75 4.13 4.44 2zciA1 VAL 129 HB 0.09 -0.01 0.15 -0.04 2.12 2.31 2zciA1 VAL 129 HG13 0.00 -0.00 -0.12 -0.04 0.97 0.81 2zciA1 VAL 129 HG23 0.01 0.01 -0.28 -0.04 0.95 0.65 2zciA1 PRO 130 HA 0.06 0.21 0.80 -0.51 4.44 5.00 2zciA1 PRO 130 HB2 0.08 0.03 0.00 -0.04 2.28 2.35 2zciA1 PRO 130 HB3 0.03 0.07 -0.02 -0.04 2.02 2.06 2zciA1 PRO 130 HG2 0.13 0.03 -0.02 -0.04 2.03 2.13 2zciA1 PRO 130 HG3 0.10 0.02 -0.03 -0.04 2.03 2.07 2zciA1 PRO 130 HD2 0.10 0.05 0.27 -0.04 3.68 4.06 2zciA1 PRO 130 HD3 0.08 0.25 -0.04 -0.04 3.65 3.89 2zciA1 PHE 131 H -0.09 0.73 0.41 -0.55 8.34 8.84 2zciA1 PHE 131 HA 0.02 0.15 0.80 -0.75 4.62 4.84 2zciA1 PHE 131 HB2 0.00 0.03 -0.01 -0.04 3.15 3.13 2zciA1 PHE 131 HB3 0.02 0.02 -0.49 -0.04 3.06 2.57 2zciA1 PHE 131 HD2 0.03 0.17 -0.35 -0.04 7.28 7.08 2zciA1 PHE 131 HE2 0.09 0.01 -0.32 -0.04 7.38 7.12 2zciA1 PHE 131 HZ 0.42 0.00 -0.27 -0.04 7.32 7.43 2zciA1 CYS 132 H 0.18 0.64 0.37 -0.55 8.50 9.15 2zciA1 CYS 132 HA 0.00 0.19 1.09 -0.75 4.58 5.11 2zciA1 CYS 132 HB2 0.02 -0.08 -0.06 -0.04 2.97 2.81 2zciA1 CYS 132 HB3 0.03 -0.05 0.12 -0.04 2.97 3.04 2zciA1 MET 133 H -0.00 0.94 0.29 -0.55 8.47 9.15 2zciA1 MET 133 HA -0.14 0.16 0.88 -0.75 4.52 4.67 2zciA1 MET 133 HB2 0.02 0.05 0.23 -0.04 2.15 2.40 2zciA1 MET 133 HB3 -0.48 -0.03 0.07 -0.04 2.03 1.55 2zciA1 MET 133 HG2 -0.17 -0.04 -0.29 -0.04 2.63 2.09 2zciA1 MET 133 HG3 -0.89 -0.06 -0.20 -0.04 2.56 1.38 2zciA1 MET 133 HE3 -0.22 0.01 -0.14 -0.04 2.10 1.71 2zciA1 GLY 134 H -0.10 0.25 -0.02 -0.55 8.43 8.01 2zciA1 GLY 134 HA2 -0.15 0.18 0.25 -0.51 4.01 3.77 2zciA1 GLY 134 HA3 -0.12 0.15 0.87 -0.51 4.01 4.40 2zciA1 PRO 135 HA -0.03 -0.00 0.57 -0.51 4.44 4.46 2zciA1 PRO 135 HB2 0.12 -0.10 -0.07 -0.04 2.28 2.20 2zciA1 PRO 135 HB3 0.02 0.20 -0.01 -0.04 2.02 2.19 2zciA1 PRO 135 HG2 -0.02 0.19 -0.53 -0.04 2.03 1.63 2zciA1 PRO 135 HG3 -0.09 0.13 -0.02 -0.04 2.03 2.01 2zciA1 PRO 135 HD2 0.01 0.07 0.11 -0.04 3.68 3.82 2zciA1 PRO 135 HD3 -0.04 0.29 0.12 -0.04 3.65 3.98 2zciA1 ILE 136 H -0.02 0.15 0.19 -0.55 8.25 8.02 2zciA1 ILE 136 HA -0.00 0.17 0.39 -0.75 4.18 3.98 2zciA1 ILE 136 HB -0.00 0.02 0.07 -0.04 1.89 1.93 2zciA1 ILE 136 HG12 -0.01 -0.04 -0.07 -0.04 1.49 1.32 2zciA1 ILE 136 HG13 -0.02 0.09 0.07 -0.04 1.21 1.31 2zciA1 ILE 136 HG23 -0.02 -0.00 0.05 -0.04 0.93 0.92 2zciA1 ILE 136 HD13 0.00 -0.01 -0.16 -0.04 0.88 0.67 2zciA1 SER 137 H 0.03 0.02 -0.56 -0.55 8.46 7.41 2zciA1 SER 137 HA -0.05 0.11 0.28 -0.75 4.49 4.07 2zciA1 SER 137 HB2 0.09 -0.01 0.08 -0.04 3.95 4.07 2zciA1 SER 137 HB3 0.05 -0.03 0.02 -0.04 3.93 3.94 2zciA1 ASP 138 H -0.02 0.27 -0.53 -0.55 8.40 7.58 2zciA1 ASP 138 HA -0.37 0.03 0.34 -0.75 4.63 3.88 2zciA1 ASP 138 HB2 0.12 -0.00 -0.01 -0.04 2.71 2.78 2zciA1 ASP 138 HB3 -0.00 0.05 -0.08 -0.04 2.70 2.63 2zciA1 PRO 139 HA -0.23 0.10 0.42 -0.51 4.44 4.22 2zciA1 PRO 139 HB2 -0.24 0.01 0.00 -0.04 2.28 2.01 2zciA1 PRO 139 HB3 -0.34 -0.01 0.09 -0.04 2.02 1.72 2zciA1 PRO 139 HG2 -0.45 0.02 0.06 -0.04 2.03 1.62 2zciA1 PRO 139 HG3 -0.82 -0.00 0.07 -0.04 2.03 1.23 2zciA1 PRO 139 HD2 -0.65 0.08 0.15 -0.04 3.68 3.22 2zciA1 PRO 139 HD3 -1.38 0.21 0.23 -0.04 3.65 2.67 2zciA1 ASP 140 H -0.13 0.09 -0.27 -0.55 8.40 7.55 2zciA1 ASP 140 HA -0.05 0.23 0.67 -0.75 4.63 4.73 2zciA1 ASP 140 HB2 -0.06 -0.09 -0.05 -0.04 2.71 2.46 2zciA1 ASP 140 HB3 -0.04 -0.01 0.15 -0.04 2.70 2.75 2zciA1 PRO 141 HA 0.05 0.07 0.40 -0.51 4.44 4.45 2zciA1 PRO 141 HB2 0.03 -0.04 -0.24 -0.04 2.28 1.99 2zciA1 PRO 141 HB3 0.02 0.08 -0.10 -0.04 2.02 1.98 2zciA1 PRO 141 HG2 -0.01 -0.02 -0.07 -0.04 2.03 1.89 2zciA1 PRO 141 HG3 -0.04 0.42 -0.12 -0.04 2.03 2.25 2zciA1 PRO 141 HD2 0.00 0.06 0.06 -0.04 3.68 3.75 2zciA1 PRO 141 HD3 -0.04 0.25 -0.23 -0.04 3.65 3.58 2zciA1 LYS 142 H 0.20 0.23 0.15 -0.55 8.42 8.44 2zciA1 LYS 142 HA 0.19 0.10 0.91 -0.75 4.32 4.76 2zciA1 LYS 142 HB2 0.57 0.04 0.16 -0.04 1.87 2.61 2zciA1 LYS 142 HB3 0.49 -0.03 0.03 -0.04 1.79 2.24 2zciA1 LYS 142 HG2 0.19 0.03 -0.02 -0.04 1.46 1.62 2zciA1 LYS 142 HG3 0.12 -0.01 -0.01 -0.04 1.46 1.52 2zciA1 LYS 142 HD2 0.23 -0.05 -0.03 -0.04 1.69 1.80 2zciA1 LYS 142 HD3 0.15 0.07 -0.03 -0.04 1.68 1.82 2zciA1 LYS 142 HE2 0.03 0.06 -0.12 -0.04 2.99 2.93 2zciA1 LYS 142 HE3 0.07 -0.01 -0.08 -0.04 2.99 2.93 2zciA1 LEU 143 H 0.16 0.20 0.15 -0.55 8.37 8.33 2zciA1 LEU 143 HA -0.04 0.22 0.96 -0.75 4.35 4.74 2zciA1 LEU 143 HB2 0.09 0.06 0.05 -0.04 1.64 1.80 2zciA1 LEU 143 HB3 -0.01 -0.01 0.09 -0.04 1.64 1.67 2zciA1 LEU 143 HG 0.05 -0.01 -0.41 -0.04 1.64 1.22 2zciA1 LEU 143 HD13 0.04 0.00 -0.16 -0.04 0.93 0.77 2zciA1 LEU 143 HD23 0.01 0.01 -0.06 -0.04 0.89 0.80 2zciA1 GLY 144 H -0.45 0.68 0.42 -0.55 8.43 8.53 2zciA1 GLY 144 HA2 -0.05 0.10 0.87 -0.51 4.01 4.42 2zciA1 GLY 144 HA3 -0.75 -0.01 0.22 -0.51 4.01 2.96 2zciA1 VAL 145 H 0.03 0.68 0.29 -0.55 8.24 8.70 2zciA1 VAL 145 HA 0.15 0.26 0.75 -0.75 4.13 4.54 2zciA1 VAL 145 HB -0.23 -0.01 0.04 -0.04 2.12 1.88 2zciA1 VAL 145 HG13 0.16 -0.02 -0.25 -0.04 0.97 0.81 2zciA1 VAL 145 HG23 -0.39 -0.03 -0.21 -0.04 0.95 0.27 2zciA1 GLN 146 H 0.35 0.52 0.23 -0.55 8.47 9.02 2zciA1 GLN 146 HA 0.40 0.46 1.17 -0.75 4.36 5.63 2zciA1 GLN 146 HB2 0.33 -0.05 -0.08 -0.04 2.15 2.30 2zciA1 GLN 146 HB3 0.16 -0.05 0.04 -0.04 2.02 2.13 2zciA1 GLN 146 HG2 0.09 -0.06 -0.50 -0.04 2.40 1.89 2zciA1 GLN 146 HG3 0.19 0.12 -0.21 -0.04 2.39 2.45 2zciA1 GLN 146 HE21 -0.18 0.60 0.11 -0.04 6.97 7.45 2zciA1 GLN 146 HE22 -0.03 -0.05 -0.12 -0.04 7.69 7.45 2zciA1 LEU 147 H 0.14 0.50 0.41 -0.55 8.37 8.87 2zciA1 LEU 147 HA -0.12 0.34 0.92 -0.75 4.35 4.73 2zciA1 LEU 147 HB2 -0.40 -0.09 0.21 -0.04 1.64 1.32 2zciA1 LEU 147 HB3 -0.43 0.02 0.06 -0.04 1.64 1.24 2zciA1 LEU 147 HG -0.52 0.06 0.01 -0.04 1.64 1.14 2zciA1 LEU 147 HD13 -0.98 -0.01 -0.07 -0.04 0.93 -0.17 2zciA1 LEU 147 HD23 -0.26 -0.01 -0.20 -0.04 0.89 0.39 2zciA1 THR 148 H -0.08 0.51 0.40 -0.55 8.28 8.56 2zciA1 THR 148 HA -0.04 0.59 1.01 -0.75 4.39 5.20 2zciA1 THR 148 HB 0.13 0.10 -0.27 -0.04 4.32 4.24 2zciA1 THR 148 HG23 0.07 -0.00 -0.12 -0.04 1.22 1.13 2zciA1 ASP 149 H -0.09 0.15 0.20 -0.55 8.40 8.11 2zciA1 ASP 149 HA -0.06 0.47 1.07 -0.75 4.63 5.35 2zciA1 ASP 149 HB2 -0.11 0.06 0.19 -0.04 2.71 2.81 2zciA1 ASP 149 HB3 -0.20 0.04 -0.02 -0.04 2.70 2.49 2zciA1 SER 150 H 0.11 0.10 -0.19 -0.55 8.46 7.94 2zciA1 SER 150 HA -0.01 0.32 1.04 -0.75 4.49 5.09 2zciA1 SER 150 HB2 -0.03 0.16 -0.04 -0.04 3.95 4.00 2zciA1 SER 150 HB3 0.13 0.02 0.09 -0.04 3.93 4.13 2zciA1 GLU 151 H -0.03 0.33 0.13 -0.55 8.60 8.48 2zciA1 GLU 151 HA -0.43 0.09 0.38 -0.75 4.29 3.57 2zciA1 GLU 151 HB2 -0.13 0.07 -0.01 -0.04 2.09 1.98 2zciA1 GLU 151 HB3 -0.27 -0.03 0.07 -0.04 1.99 1.72 2zciA1 GLU 151 HG2 -0.47 -0.01 -0.02 -0.04 2.34 1.81 2zciA1 GLU 151 HG3 0.05 0.04 0.01 -0.04 2.34 2.40 2zciA1 TYR 152 H -0.01 0.05 -0.29 -0.55 8.29 7.49 2zciA1 TYR 152 HA -0.17 0.13 0.54 -0.75 4.56 4.30 2zciA1 TYR 152 HB2 -0.08 0.08 -0.01 -0.04 3.06 3.00 2zciA1 TYR 152 HB3 -0.21 -0.00 0.05 -0.04 2.98 2.78 2zciA1 TYR 152 HD2 -0.01 -0.01 -0.16 -0.04 7.15 6.92 2zciA1 TYR 152 HE2 0.16 0.03 -0.09 -0.04 6.85 6.91 2zciA1 VAL 153 H 0.00 0.06 -0.22 -0.55 8.24 7.54 2zciA1 VAL 153 HA -0.23 0.06 0.42 -0.75 4.13 3.63 2zciA1 VAL 153 HB -0.06 0.14 0.08 -0.04 2.12 2.24 2zciA1 VAL 153 HG13 -0.16 0.01 -0.29 -0.04 0.97 0.49 2zciA1 VAL 153 HG23 -0.09 -0.00 -0.09 -0.04 0.95 0.72 2zciA1 VAL 154 H -0.17 0.38 -0.19 -0.55 8.24 7.71 2zciA1 VAL 154 HA -0.14 0.01 0.21 -0.75 4.13 3.46 2zciA1 VAL 154 HB -0.32 0.05 0.04 -0.04 2.12 1.85 2zciA1 VAL 154 HG13 -0.15 -0.00 -0.23 -0.04 0.97 0.54 2zciA1 VAL 154 HG23 -0.32 0.06 -0.04 -0.04 0.95 0.60 2zciA1 MET 155 H -0.25 0.51 -0.24 -0.55 8.47 7.94 2zciA1 MET 155 HA -0.00 -0.02 0.44 -0.75 4.52 4.19 2zciA1 MET 155 HB2 -0.36 0.08 0.14 -0.04 2.15 1.96 2zciA1 MET 155 HB3 -0.45 0.01 -0.10 -0.04 2.03 1.44 2zciA1 MET 155 HG2 -0.91 -0.05 0.02 -0.04 2.63 1.65 2zciA1 MET 155 HG3 -0.40 -0.00 0.05 -0.04 2.56 2.16 2zciA1 MET 155 HE3 -1.43 0.00 -0.10 -0.04 2.10 0.53 2zciA1 SER 156 H -0.35 0.60 -0.17 -0.55 8.46 8.00 2zciA1 SER 156 HA -0.12 0.02 0.44 -0.75 4.49 4.08 2zciA1 SER 156 HB2 -0.38 0.15 0.15 -0.04 3.95 3.83 2zciA1 SER 156 HB3 -0.36 -0.09 -0.03 -0.04 3.93 3.41 2zciA1 MET 157 H -0.19 0.69 -0.13 -0.55 8.47 8.30 2zciA1 MET 157 HA -0.22 -0.08 0.25 -0.75 4.52 3.71 2zciA1 MET 157 HB2 -0.15 0.14 0.02 -0.04 2.15 2.11 2zciA1 MET 157 HB3 -0.22 -0.04 -0.08 -0.04 2.03 1.65 2zciA1 MET 157 HG2 -0.23 0.10 -0.13 -0.04 2.63 2.32 2zciA1 MET 157 HG3 -0.21 -0.02 -0.19 -0.04 2.56 2.10 2zciA1 MET 157 HE3 -0.98 0.02 -0.16 -0.04 2.10 0.94 2zciA1 ARG 158 H -0.01 0.40 -0.59 -0.55 8.46 7.70 2zciA1 ARG 158 HA -0.02 0.01 0.25 -0.75 4.34 3.83 2zciA1 ARG 158 HB2 0.09 -0.04 0.04 -0.04 1.90 1.96 2zciA1 ARG 158 HB3 0.18 0.14 0.06 -0.04 1.80 2.15 2zciA1 ARG 158 HG2 -0.04 0.05 0.04 -0.04 1.67 1.68 2zciA1 ARG 158 HG3 0.03 -0.07 0.05 -0.04 1.67 1.64 2zciA1 ARG 158 HD2 0.23 -0.13 -0.07 -0.04 3.22 3.21 2zciA1 ARG 158 HD3 -0.07 0.02 -0.05 -0.04 3.22 3.08 2zciA1 ILE 159 H -0.00 0.29 -0.09 -0.55 8.25 7.90 2zciA1 ILE 159 HA -0.10 0.07 0.62 -0.75 4.18 4.01 2zciA1 ILE 159 HB -0.03 0.11 0.07 -0.04 1.89 2.00 2zciA1 ILE 159 HG12 0.16 0.06 0.01 -0.04 1.49 1.69 2zciA1 ILE 159 HG13 0.04 0.02 -0.10 -0.04 1.21 1.13 2zciA1 ILE 159 HG23 -0.04 -0.06 -0.39 -0.04 0.93 0.40 2zciA1 ILE 159 HD13 -0.29 -0.04 -0.08 -0.04 0.88 0.43 2zciA1 MET 160 H -0.12 0.29 -0.26 -0.55 8.47 7.85 2zciA1 MET 160 HA -0.13 -0.01 0.11 -0.75 4.52 3.74 2zciA1 MET 160 HB2 -0.21 0.05 -0.07 -0.04 2.15 1.89 2zciA1 MET 160 HB3 -0.20 -0.10 -0.12 -0.04 2.03 1.57 2zciA1 MET 160 HG2 -0.20 0.14 -0.10 -0.04 2.63 2.42 2zciA1 MET 160 HG3 -0.37 -0.08 -0.16 -0.04 2.56 1.91 2zciA1 MET 160 HE3 -0.10 -0.04 -0.08 -0.04 2.10 1.85 2zciA1 THR 161 H -0.11 0.61 -0.07 -0.55 8.28 8.15 2zciA1 THR 161 HA -0.07 0.15 0.70 -0.75 4.39 4.41 2zciA1 THR 161 HB 0.05 0.06 0.08 -0.04 4.32 4.46 2zciA1 THR 161 HG23 -0.27 -0.05 -0.23 -0.04 1.22 0.63 2zciA1 ARG 162 H 0.03 0.46 0.20 -0.55 8.46 8.60 2zciA1 ARG 162 HA 0.00 0.14 0.74 -0.75 4.34 4.47 2zciA1 ARG 162 HB2 0.02 0.09 0.27 -0.04 1.90 2.24 2zciA1 ARG 162 HB3 0.02 -0.09 0.08 -0.04 1.80 1.76 2zciA1 ARG 162 HG2 -0.00 -0.12 0.07 -0.04 1.67 1.57 2zciA1 ARG 162 HG3 0.00 0.01 0.06 -0.04 1.67 1.70 2zciA1 ARG 162 HD2 -0.01 -0.07 -0.19 -0.04 3.22 2.91 2zciA1 ARG 162 HD3 -0.02 0.22 -0.01 -0.04 3.22 3.38 2zciA1 MET 163 H 0.02 0.28 0.11 -0.55 8.47 8.33 2zciA1 MET 163 HA 0.12 0.23 0.89 -0.75 4.52 5.00 2zciA1 MET 163 HB2 0.01 0.08 -0.32 -0.04 2.15 1.87 2zciA1 MET 163 HB3 0.02 -0.03 -0.05 -0.04 2.03 1.92 2zciA1 MET 163 HG2 0.08 0.23 -0.01 -0.04 2.63 2.90 2zciA1 MET 163 HG3 0.00 -0.06 -0.21 -0.04 2.56 2.26 2zciA1 MET 163 HE3 -0.04 -0.03 -0.19 -0.04 2.10 1.80 2zciA1 GLY 164 H 0.09 0.66 0.21 -0.55 8.43 8.85 2zciA1 GLY 164 HA2 0.07 0.17 0.11 -0.51 4.01 3.85 2zciA1 GLY 164 HA3 0.05 0.27 0.46 -0.51 4.01 4.28 2zciA1 ILE 165 H 0.05 0.43 0.32 -0.55 8.25 8.50 2zciA1 ILE 165 HA 0.05 0.02 0.50 -0.75 4.18 3.99 2zciA1 ILE 165 HB 0.04 -0.02 0.20 -0.04 1.89 2.07 2zciA1 ILE 165 HG12 0.01 0.01 0.03 -0.04 1.49 1.50 2zciA1 ILE 165 HG13 0.02 -0.01 -0.02 -0.04 1.21 1.16 2zciA1 ILE 165 HG23 0.02 0.06 0.16 -0.04 0.93 1.13 2zciA1 ILE 165 HD13 0.01 0.01 0.02 -0.04 0.88 0.89 2zciA1 GLU 166 H 0.02 0.16 -0.12 -0.55 8.60 8.12 2zciA1 GLU 166 HA 0.01 0.05 0.40 -0.75 4.29 4.00 2zciA1 GLU 166 HB2 0.02 0.00 -0.02 -0.04 2.09 2.04 2zciA1 GLU 166 HB3 0.01 0.09 -0.08 -0.04 1.99 1.97 2zciA1 GLU 166 HG2 0.00 0.04 0.02 -0.04 2.34 2.36 2zciA1 GLU 166 HG3 0.01 -0.07 0.04 -0.04 2.34 2.27 2zciA1 ALA 167 H 0.03 0.12 -0.43 -0.55 8.40 7.58 2zciA1 ALA 167 HA 0.02 0.11 0.32 -0.75 4.34 4.04 2zciA1 ALA 167 HB3 0.05 0.06 -0.22 -0.04 1.41 1.26 2zciA1 LEU 168 H 0.04 0.34 -0.19 -0.55 8.37 8.02 2zciA1 LEU 168 HA 0.02 0.02 0.44 -0.75 4.35 4.07 2zciA1 LEU 168 HB2 0.09 -0.01 0.06 -0.04 1.64 1.73 2zciA1 LEU 168 HB3 0.05 0.07 0.14 -0.04 1.64 1.86 2zciA1 LEU 168 HG 0.04 0.02 -0.19 -0.04 1.64 1.48 2zciA1 LEU 168 HD13 0.13 -0.02 -0.04 -0.04 0.93 0.96 2zciA1 LEU 168 HD23 0.09 -0.01 -0.12 -0.04 0.89 0.80 2zciA1 ASP 169 H 0.02 0.67 0.04 -0.55 8.40 8.58 2zciA1 ASP 169 HA 0.01 -0.03 0.60 -0.75 4.63 4.46 2zciA1 ASP 169 HB2 0.00 0.11 0.12 -0.04 2.71 2.91 2zciA1 ASP 169 HB3 -0.00 -0.03 0.05 -0.04 2.70 2.68 2zciA1 LYS 170 H 0.01 0.30 -0.38 -0.55 8.42 7.79 2zciA1 LYS 170 HA -0.01 0.04 0.40 -0.75 4.32 4.00 2zciA1 LYS 170 HB2 0.01 0.06 0.10 -0.04 1.87 1.99 2zciA1 LYS 170 HB3 -0.00 0.02 -0.08 -0.04 1.79 1.68 2zciA1 LYS 170 HG2 -0.01 -0.05 -0.04 -0.04 1.46 1.31 2zciA1 LYS 170 HG3 -0.01 -0.05 -0.06 -0.04 1.46 1.31 2zciA1 LYS 170 HD2 -0.03 0.09 -0.03 -0.04 1.69 1.68 2zciA1 LYS 170 HD3 -0.03 -0.04 0.02 -0.04 1.68 1.59 2zciA1 LYS 170 HE2 -0.03 -0.13 -0.05 -0.04 2.99 2.74 2zciA1 LYS 170 HE3 -0.05 0.36 0.03 -0.04 2.99 3.29 2zciA1 ILE 171 H 0.02 0.31 -0.08 -0.55 8.25 7.94 2zciA1 ILE 171 HA 0.06 0.06 0.53 -0.75 4.18 4.07 2zciA1 ILE 171 HB 0.01 0.08 0.24 -0.04 1.89 2.18 2zciA1 ILE 171 HG12 0.07 0.07 -0.02 -0.04 1.49 1.57 2zciA1 ILE 171 HG13 0.01 0.19 0.10 -0.04 1.21 1.46 2zciA1 ILE 171 HG23 0.09 0.01 -0.16 -0.04 0.93 0.83 2zciA1 ILE 171 HD13 -0.14 -0.05 -0.07 -0.04 0.88 0.57 2zciA1 GLY 172 H 0.03 0.58 0.00 -0.55 8.43 8.49 2zciA1 GLY 172 HA2 0.02 0.08 0.32 -0.51 4.01 3.91 2zciA1 GLY 172 HA3 0.02 0.12 0.46 -0.51 4.01 4.10 2zciA1 ALA 173 H 0.02 0.20 0.19 -0.55 8.40 8.26 2zciA1 ALA 173 HA 0.04 -0.04 0.38 -0.75 4.34 3.97 2zciA1 ALA 173 HB3 0.02 0.03 0.05 -0.04 1.41 1.46 2zciA1 ASN 174 H 0.04 0.12 -0.09 -0.55 8.53 8.05 2zciA1 ASN 174 HA 0.04 0.11 0.80 -0.75 4.76 4.95 2zciA1 ASN 174 HB2 0.01 0.05 -0.02 -0.04 2.88 2.89 2zciA1 ASN 174 HB3 0.01 0.01 0.09 -0.04 2.79 2.86 2zciA1 ASN 174 HD21 0.01 0.01 -0.06 -0.04 7.03 6.95 2zciA1 ASN 174 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 2zciA1 GLY 175 H 0.06 0.17 -0.13 -0.55 8.43 7.99 2zciA1 GLY 175 HA2 0.03 -0.02 0.60 -0.51 4.01 4.11 2zciA1 GLY 175 HA3 0.07 0.28 0.46 -0.51 4.01 4.32 2zciA1 SER 176 H 0.01 0.11 0.22 -0.55 8.46 8.26 2zciA1 SER 176 HA -0.18 0.03 0.64 -0.75 4.49 4.22 2zciA1 SER 176 HB2 -0.02 0.01 0.13 -0.04 3.95 4.02 2zciA1 SER 176 HB3 -0.08 0.04 -0.07 -0.04 3.93 3.78 2zciA1 PHE 177 H -0.63 0.25 0.16 -0.55 8.34 7.56 2zciA1 PHE 177 HA -0.05 0.15 0.29 -0.75 4.62 4.25 2zciA1 PHE 177 HB2 -0.14 -0.05 -0.18 -0.04 3.15 2.74 2zciA1 PHE 177 HB3 -0.07 0.14 -0.18 -0.04 3.06 2.90 2zciA1 PHE 177 HD2 -0.20 0.18 -0.57 -0.04 7.28 6.64 2zciA1 PHE 177 HE2 -0.64 -0.06 -0.15 -0.04 7.38 6.49 2zciA1 PHE 177 HZ -0.12 -0.06 -0.19 -0.04 7.32 6.91 2zciA1 VAL 178 H 0.06 0.51 0.33 -0.55 8.24 8.59 2zciA1 VAL 178 HA -0.17 0.31 1.02 -0.75 4.13 4.54 2zciA1 VAL 178 HB -0.44 -0.04 0.11 -0.04 2.12 1.72 2zciA1 VAL 178 HG13 -0.24 0.00 -0.30 -0.04 0.97 0.40 2zciA1 VAL 178 HG23 -0.33 0.02 0.00 -0.04 0.95 0.61 2zciA1 ARG 179 H -0.12 0.46 0.34 -0.55 8.46 8.59 2zciA1 ARG 179 HA -0.33 0.12 0.67 -0.75 4.34 4.05 2zciA1 ARG 179 HB2 -0.07 -0.02 0.20 -0.04 1.90 1.98 2zciA1 ARG 179 HB3 -0.61 -0.03 -0.00 -0.04 1.80 1.12 2zciA1 ARG 179 HG2 -1.36 -0.04 -0.07 -0.04 1.67 0.16 2zciA1 ARG 179 HG3 -0.66 0.12 0.01 -0.04 1.67 1.10 2zciA1 ARG 179 HD2 -0.53 -0.05 -0.01 -0.04 3.22 2.59 2zciA1 ARG 179 HD3 -0.80 -0.06 -0.03 -0.04 3.22 2.29 2zciA1 CYS 180 H 0.48 0.55 0.39 -0.55 8.50 9.38 2zciA1 CYS 180 HA 0.45 0.26 1.00 -0.75 4.58 5.54 2zciA1 CYS 180 HB2 0.40 -0.07 0.16 -0.04 2.97 3.42 2zciA1 CYS 180 HB3 0.34 0.01 -0.03 -0.04 2.97 3.25 2zciA1 LEU 181 H 0.44 0.65 0.48 -0.55 8.37 9.39 2zciA1 LEU 181 HA 0.05 0.06 1.02 -0.75 4.35 4.72 2zciA1 LEU 181 HB2 -0.31 0.02 0.22 -0.04 1.64 1.53 2zciA1 LEU 181 HB3 -0.28 0.03 -0.04 -0.04 1.64 1.30 2zciA1 LEU 181 HG -0.27 -0.00 0.02 -0.04 1.64 1.34 2zciA1 LEU 181 HD13 0.38 0.02 -0.25 -0.04 0.93 1.04 2zciA1 LEU 181 HD23 -1.31 0.00 -0.05 -0.04 0.89 -0.51 2zciA1 HIS 182 H -0.09 0.50 0.35 -0.55 8.41 8.63 2zciA1 HIS 182 HA 0.22 0.35 1.01 -0.75 4.63 5.46 2zciA1 HIS 182 HB2 0.12 0.03 -0.18 -0.04 3.26 3.19 2zciA1 HIS 182 HB3 0.01 0.04 0.16 -0.04 3.20 3.37 2zciA1 HIS 182 HD2 0.15 0.07 -0.11 -0.04 6.97 7.03 2zciA1 HIS 182 HE1 -0.04 -0.11 -0.12 -0.04 7.75 7.44 2zciA1 SER 183 H 0.13 0.53 0.29 -0.55 8.46 8.86 2zciA1 SER 183 HA -0.37 0.01 0.79 -0.75 4.49 4.16 2zciA1 SER 183 HB2 0.14 0.07 -0.04 -0.04 3.95 4.08 2zciA1 SER 183 HB3 0.50 0.07 0.09 -0.04 3.93 4.56 2zciA1 VAL 184 H -0.25 0.16 0.04 -0.55 8.24 7.63 2zciA1 VAL 184 HA -0.19 0.11 0.42 -0.75 4.13 3.71 2zciA1 VAL 184 HB -0.16 0.16 -0.31 -0.04 2.12 1.77 2zciA1 VAL 184 HG13 -0.11 -0.01 -0.15 -0.04 0.97 0.66 2zciA1 VAL 184 HG23 -0.12 0.01 -0.19 -0.04 0.95 0.60 2zciA1 GLY 185 H -0.08 0.03 -0.27 -0.55 8.43 7.56 2zciA1 GLY 185 HA2 0.15 0.10 0.24 -0.51 4.01 3.99 2zciA1 GLY 185 HA3 -0.41 0.09 0.40 -0.51 4.01 3.57 2zciA1 ALA 186 H -0.03 -0.05 -0.23 -0.55 8.40 7.54 2zciA1 ALA 186 HA 0.03 0.27 0.84 -0.75 4.34 4.73 2zciA1 ALA 186 HB3 -0.02 -0.01 0.04 -0.04 1.41 1.37 2zciA1 PRO 187 HA 0.02 0.24 0.27 -0.51 4.44 4.46 2zciA1 PRO 187 HB2 0.03 -0.04 -0.08 -0.04 2.28 2.16 2zciA1 PRO 187 HB3 0.05 0.05 0.09 -0.04 2.02 2.17 2zciA1 PRO 187 HG2 0.05 -0.06 -0.01 -0.04 2.03 1.96 2zciA1 PRO 187 HG3 0.07 0.07 -0.05 -0.04 2.03 2.08 2zciA1 PRO 187 HD2 0.07 0.12 -0.02 -0.04 3.68 3.81 2zciA1 PRO 187 HD3 0.10 -0.01 -0.10 -0.04 3.65 3.61 2zciA1 LEU 188 H 0.00 0.69 0.07 -0.55 8.37 8.59 2zciA1 LEU 188 HA 0.01 0.04 0.87 -0.75 4.35 4.52 2zciA1 LEU 188 HB2 -0.00 -0.04 0.13 -0.04 1.64 1.68 2zciA1 LEU 188 HB3 0.00 0.14 0.02 -0.04 1.64 1.76 2zciA1 LEU 188 HG -0.00 0.17 -0.33 -0.04 1.64 1.45 2zciA1 LEU 188 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.86 2zciA1 LEU 188 HD23 0.01 -0.03 -0.13 -0.04 0.89 0.69 2zciA1 GLU 189 H 0.01 0.07 0.06 -0.55 8.60 8.19 2zciA1 GLU 189 HA 0.00 0.12 0.49 -0.75 4.29 4.15 2zciA1 GLU 189 HB2 0.01 -0.11 0.09 -0.04 2.09 2.04 2zciA1 GLU 189 HB3 0.01 -0.04 0.12 -0.04 1.99 2.03 2zciA1 GLU 189 HG2 0.01 0.06 0.01 -0.04 2.34 2.38 2zciA1 GLU 189 HG3 0.01 -0.04 0.03 -0.04 2.34 2.30 2zciA1 PRO 190 HA -0.00 0.12 0.46 -0.51 4.44 4.51 2zciA1 PRO 190 HB2 0.00 -0.10 0.09 -0.04 2.28 2.23 2zciA1 PRO 190 HB3 -0.00 0.03 0.05 -0.04 2.02 2.07 2zciA1 PRO 190 HG2 -0.00 0.01 0.09 -0.04 2.03 2.09 2zciA1 PRO 190 HG3 -0.00 0.07 0.10 -0.04 2.03 2.16 2zciA1 PRO 190 HD2 0.00 0.04 0.22 -0.04 3.68 3.90 2zciA1 PRO 190 HD3 -0.00 0.20 0.14 -0.04 3.65 3.95 2zciA1 GLY 191 H 0.00 0.00 -0.16 -0.55 8.43 7.73 2zciA1 GLY 191 HA2 0.00 0.06 0.49 -0.51 4.01 4.05 2zciA1 GLY 191 HA3 0.01 -0.07 0.30 -0.51 4.01 3.74 2zciA1 GLN 192 H 0.01 -0.08 -0.13 -0.55 8.47 7.72 2zciA1 GLN 192 HA 0.01 -0.17 0.25 -0.75 4.36 3.70 2zciA1 GLN 192 HB2 0.01 -0.17 0.12 -0.04 2.15 2.07 2zciA1 GLN 192 HB3 0.01 0.12 0.10 -0.04 2.02 2.21 2zciA1 GLN 192 HG2 0.01 0.33 -0.21 -0.04 2.40 2.49 2zciA1 GLN 192 HG3 0.01 -0.10 0.04 -0.04 2.39 2.30 2zciA1 GLN 192 HE21 0.02 0.05 0.03 -0.04 6.97 7.03 2zciA1 GLN 192 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 2zciA1 GLU 193 H 0.01 -0.04 0.08 -0.55 8.60 8.11 2zciA1 GLU 193 HA 0.01 0.09 0.56 -0.75 4.29 4.19 2zciA1 GLU 193 HB2 0.01 -0.08 0.14 -0.04 2.09 2.12 2zciA1 GLU 193 HB3 0.01 0.01 0.07 -0.04 1.99 2.05 2zciA1 GLU 193 HG2 0.01 -0.06 0.06 -0.04 2.34 2.31 2zciA1 GLU 193 HG3 0.02 0.11 0.11 -0.04 2.34 2.54 2zciA1 ASP 194 H 0.01 0.04 0.18 -0.55 8.40 8.09 2zciA1 ASP 194 HA 0.01 0.18 0.70 -0.75 4.63 4.77 2zciA1 ASP 194 HB2 0.00 0.00 0.15 -0.04 2.71 2.82 2zciA1 ASP 194 HB3 0.01 0.04 0.10 -0.04 2.70 2.80 2zciA1 VAL 195 H 0.02 0.17 0.19 -0.55 8.24 8.07 2zciA1 VAL 195 HA 0.04 0.17 0.78 -0.75 4.13 4.37 2zciA1 VAL 195 HB 0.08 -0.09 0.04 -0.04 2.12 2.10 2zciA1 VAL 195 HG13 0.04 0.02 -0.07 -0.04 0.97 0.92 2zciA1 VAL 195 HG23 0.04 0.01 -0.12 -0.04 0.95 0.84 2zciA1 ALA 196 H 0.08 0.11 0.09 -0.55 8.40 8.13 2zciA1 ALA 196 HA 0.08 0.24 0.55 -0.75 4.34 4.46 2zciA1 ALA 196 HB3 0.11 0.03 0.00 -0.04 1.41 1.51 2zciA1 TRP 197 H 0.20 0.01 -0.30 -0.55 7.97 7.33 2zciA1 TRP 197 HA -0.01 0.22 0.85 -0.75 4.62 4.93 2zciA1 TRP 197 HB2 0.00 0.25 -0.09 -0.04 3.23 3.35 2zciA1 TRP 197 HB3 0.02 -0.12 0.13 -0.04 3.23 3.22 2zciA1 TRP 197 HD1 0.03 -0.02 -0.06 -0.04 7.22 7.13 2zciA1 TRP 197 HE1 0.08 -0.08 -0.00 -0.04 10.20 10.15 2zciA1 TRP 197 HE3 -0.11 0.23 0.02 -0.04 7.59 7.70 2zciA1 TRP 197 HZ2 0.08 -0.09 -0.43 -0.04 7.44 6.95 2zciA1 TRP 197 HZ3 -0.72 -0.02 -0.10 -0.04 7.13 6.25 2zciA1 TRP 197 HH2 -0.92 -0.04 -0.11 -0.04 7.19 6.08 2zciA1 PRO 198 HA 0.01 0.12 0.37 -0.51 4.44 4.44 2zciA1 PRO 198 HB2 -0.08 0.03 0.02 -0.04 2.28 2.21 2zciA1 PRO 198 HB3 -0.03 0.04 0.09 -0.04 2.02 2.08 2zciA1 PRO 198 HG2 -0.17 -0.05 0.05 -0.04 2.03 1.82 2zciA1 PRO 198 HG3 -0.09 0.11 0.08 -0.04 2.03 2.09 2zciA1 PRO 198 HD2 -0.44 -0.00 0.13 -0.04 3.68 3.32 2zciA1 PRO 198 HD3 -0.12 0.26 -0.07 -0.04 3.65 3.68 2zciA1 CYS 199 H 0.00 0.40 0.23 -0.55 8.50 8.58 2zciA1 CYS 199 HA -0.08 0.17 0.24 -0.75 4.58 4.15 2zciA1 CYS 199 HB2 0.07 0.36 0.35 -0.04 2.97 3.70 2zciA1 CYS 199 HB3 0.07 -0.03 0.21 -0.04 2.97 3.18 2zciA1 ASN 200 H -0.02 0.86 0.38 -0.55 8.53 9.21 2zciA1 ASN 200 HA 0.04 0.06 0.93 -0.75 4.76 5.04 2zciA1 ASN 200 HB2 -0.11 0.12 0.01 -0.04 2.88 2.87 2zciA1 ASN 200 HB3 -0.10 0.16 0.15 -0.04 2.79 2.96 2zciA1 ASN 200 HD21 0.19 -0.10 0.13 -0.04 7.03 7.20 2zciA1 ASN 200 HD22 0.11 0.45 0.20 -0.04 7.74 8.46 2zciA1 ASP 201 H 0.06 0.13 0.17 -0.55 8.40 8.21 2zciA1 ASP 201 HA 0.04 0.10 0.63 -0.75 4.63 4.65 2zciA1 ASP 201 HB2 0.06 -0.00 0.15 -0.04 2.71 2.88 2zciA1 ASP 201 HB3 0.04 -0.00 0.09 -0.04 2.70 2.79 2zciA1 THR 202 H 0.11 0.08 -0.15 -0.55 8.28 7.77 2zciA1 THR 202 HA -0.05 0.11 0.74 -0.75 4.39 4.43 2zciA1 THR 202 HB 0.23 -0.01 0.09 -0.04 4.32 4.58 2zciA1 THR 202 HG23 -0.27 0.01 -0.23 -0.04 1.22 0.69 2zciA1 LYS 203 H -0.19 0.18 0.13 -0.55 8.42 7.99 2zciA1 LYS 203 HA 0.06 0.35 0.87 -0.75 4.32 4.84 2zciA1 LYS 203 HB2 -0.03 -0.09 0.05 -0.04 1.87 1.76 2zciA1 LYS 203 HB3 0.05 0.00 -0.01 -0.04 1.79 1.79 2zciA1 LYS 203 HG2 0.02 0.08 -0.34 -0.04 1.46 1.18 2zciA1 LYS 203 HG3 0.01 0.01 -0.44 -0.04 1.46 1.00 2zciA1 LYS 203 HD2 0.03 -0.10 -0.03 -0.04 1.69 1.55 2zciA1 LYS 203 HD3 0.08 -0.10 -0.07 -0.04 1.68 1.54 2zciA1 LYS 203 HE2 0.03 -0.03 0.01 -0.04 2.99 2.96 2zciA1 LYS 203 HE3 0.06 -0.04 0.05 -0.04 2.99 3.01 2zciA1 TYR 204 H 0.25 0.61 0.39 -0.55 8.29 8.99 2zciA1 TYR 204 HA 0.20 0.28 0.95 -0.75 4.56 5.24 2zciA1 TYR 204 HB2 0.15 -0.09 0.02 -0.04 3.06 3.11 2zciA1 TYR 204 HB3 0.14 -0.01 -0.15 -0.04 2.98 2.92 2zciA1 TYR 204 HD2 0.03 0.02 -0.14 -0.04 7.15 7.02 2zciA1 TYR 204 HE2 -0.35 -0.02 -0.11 -0.04 6.85 6.33 2zciA1 ILE 205 H 0.35 0.72 0.35 -0.55 8.25 9.12 2zciA1 ILE 205 HA 0.28 0.18 0.96 -0.75 4.18 4.85 2zciA1 ILE 205 HB 0.15 -0.01 0.24 -0.04 1.89 2.23 2zciA1 ILE 205 HG12 0.16 0.01 -0.02 -0.04 1.49 1.61 2zciA1 ILE 205 HG13 0.22 0.10 0.04 -0.04 1.21 1.53 2zciA1 ILE 205 HG23 0.17 -0.01 -0.07 -0.04 0.93 0.97 2zciA1 ILE 205 HD13 0.15 -0.07 -0.35 -0.04 0.88 0.57 2zciA1 THR 206 H 0.23 0.80 0.35 -0.55 8.28 9.10 2zciA1 THR 206 HA 0.03 0.20 1.07 -0.75 4.39 4.93 2zciA1 THR 206 HB -0.01 -0.03 0.14 -0.04 4.32 4.38 2zciA1 THR 206 HG23 -0.99 -0.02 -0.27 -0.04 1.22 -0.11 2zciA1 GLN 207 H -0.18 0.76 0.40 -0.55 8.47 8.91 2zciA1 GLN 207 HA -0.07 0.13 0.89 -0.75 4.36 4.56 2zciA1 GLN 207 HB2 -0.03 0.08 0.26 -0.04 2.15 2.42 2zciA1 GLN 207 HB3 -0.00 -0.02 -0.02 -0.04 2.02 1.94 2zciA1 GLN 207 HG2 0.09 0.00 -0.02 -0.04 2.40 2.43 2zciA1 GLN 207 HG3 0.09 -0.02 -0.02 -0.04 2.39 2.40 2zciA1 GLN 207 HE21 0.07 -0.00 -0.15 -0.04 6.97 6.86 2zciA1 GLN 207 HE22 0.04 0.10 -0.11 -0.04 7.69 7.68 2zciA1 PHE 208 H -0.02 0.76 0.27 -0.55 8.34 8.79 2zciA1 PHE 208 HA -0.06 0.24 0.81 -0.75 4.62 4.85 2zciA1 PHE 208 HB2 -0.15 -0.04 0.23 -0.04 3.15 3.15 2zciA1 PHE 208 HB3 -0.14 -0.08 0.14 -0.04 3.06 2.94 2zciA1 PHE 208 HD2 -0.33 0.08 -0.06 -0.04 7.28 6.92 2zciA1 PHE 208 HE2 -0.75 0.02 -0.08 -0.04 7.38 6.53 2zciA1 PHE 208 HZ -0.51 -0.01 -0.19 -0.04 7.32 6.56 2zciA1 PRO 209 HA 0.03 0.11 0.38 -0.51 4.44 4.45 2zciA1 PRO 209 HB2 0.04 -0.02 -0.13 -0.04 2.28 2.13 2zciA1 PRO 209 HB3 0.05 0.15 0.08 -0.04 2.02 2.25 2zciA1 PRO 209 HG2 0.09 -0.06 -0.07 -0.04 2.03 1.95 2zciA1 PRO 209 HG3 0.08 0.25 0.01 -0.04 2.03 2.32 2zciA1 PRO 209 HD2 0.07 0.19 -0.15 -0.04 3.68 3.75 2zciA1 PRO 209 HD3 -0.00 0.24 -0.26 -0.04 3.65 3.58 2zciA1 GLU 210 H 0.06 0.08 -0.23 -0.55 8.60 7.97 2zciA1 GLU 210 HA -0.00 0.17 0.57 -0.75 4.29 4.28 2zciA1 GLU 210 HB2 0.03 -0.05 0.12 -0.04 2.09 2.16 2zciA1 GLU 210 HB3 0.00 0.05 0.02 -0.04 1.99 2.02 2zciA1 GLU 210 HG2 0.02 0.01 0.07 -0.04 2.34 2.39 2zciA1 GLU 210 HG3 0.01 0.09 0.05 -0.04 2.34 2.45 2zciA1 THR 211 H 0.04 0.12 -0.14 -0.55 8.28 7.74 2zciA1 THR 211 HA -0.04 0.17 0.41 -0.75 4.39 4.18 2zciA1 THR 211 HB -0.05 0.04 0.05 -0.04 4.32 4.32 2zciA1 THR 211 HG23 -0.05 -0.02 -0.08 -0.04 1.22 1.03 2zciA1 LYS 212 H 0.01 0.03 -0.40 -0.55 8.42 7.51 2zciA1 LYS 212 HA -0.01 0.01 0.31 -0.75 4.32 3.87 2zciA1 LYS 212 HB2 -0.10 0.13 0.08 -0.04 1.87 1.94 2zciA1 LYS 212 HB3 -0.10 -0.06 0.13 -0.04 1.79 1.72 2zciA1 LYS 212 HG2 -0.04 0.05 -0.33 -0.04 1.46 1.11 2zciA1 LYS 212 HG3 -0.05 -0.01 -0.11 -0.04 1.46 1.24 2zciA1 LYS 212 HD2 -0.03 -0.05 -0.01 -0.04 1.69 1.57 2zciA1 LYS 212 HD3 -0.03 -0.04 0.05 -0.04 1.68 1.63 2zciA1 LYS 212 HE2 -0.04 -0.07 -0.02 -0.04 2.99 2.82 2zciA1 LYS 212 HE3 -0.04 -0.04 0.05 -0.04 2.99 2.92 2zciA1 GLU 213 H 0.12 0.29 0.14 -0.55 8.60 8.61 2zciA1 GLU 213 HA 0.15 0.28 0.85 -0.75 4.29 4.82 2zciA1 GLU 213 HB2 0.26 -0.10 -0.11 -0.04 2.09 2.11 2zciA1 GLU 213 HB3 0.42 0.10 0.15 -0.04 1.99 2.62 2zciA1 GLU 213 HG2 0.03 0.23 -0.26 -0.04 2.34 2.31 2zciA1 GLU 213 HG3 0.05 -0.19 -0.33 -0.04 2.34 1.82 2zciA1 ILE 214 H 0.45 0.70 0.41 -0.55 8.25 9.26 2zciA1 ILE 214 HA 0.23 0.17 1.06 -0.75 4.18 4.89 2zciA1 ILE 214 HB 0.31 -0.08 0.08 -0.04 1.89 2.17 2zciA1 ILE 214 HG12 0.15 0.04 -0.18 -0.04 1.49 1.47 2zciA1 ILE 214 HG13 0.13 -0.08 -0.53 -0.04 1.21 0.70 2zciA1 ILE 214 HG23 0.27 0.00 -0.18 -0.04 0.93 0.99 2zciA1 ILE 214 HD13 0.18 -0.00 -0.32 -0.04 0.88 0.70 2zciA1 TRP 215 H 0.40 0.94 0.41 -0.55 7.97 9.17 2zciA1 TRP 215 HA 0.40 0.20 1.11 -0.75 4.62 5.58 2zciA1 TRP 215 HB2 0.39 -0.04 0.08 -0.04 3.23 3.62 2zciA1 TRP 215 HB3 0.49 0.04 -0.08 -0.04 3.23 3.63 2zciA1 TRP 215 HD1 0.40 0.24 -0.75 -0.04 7.22 7.07 2zciA1 TRP 215 HE1 0.32 0.01 -0.13 -0.04 10.20 10.35 2zciA1 TRP 215 HE3 0.24 0.02 -0.11 -0.04 7.59 7.69 2zciA1 TRP 215 HZ2 0.10 -0.01 -0.07 -0.04 7.44 7.42 2zciA1 TRP 215 HZ3 0.06 0.09 0.00 -0.04 7.13 7.24 2zciA1 TRP 215 HH2 -0.00 -0.02 -0.05 -0.04 7.19 7.08 2zciA1 SER 216 H 0.55 0.72 0.40 -0.55 8.46 9.58 2zciA1 SER 216 HA 0.40 0.34 1.19 -0.75 4.49 5.67 2zciA1 SER 216 HB2 0.35 -0.09 -0.02 -0.04 3.95 4.15 2zciA1 SER 216 HB3 0.51 -0.09 0.24 -0.04 3.93 4.55 2zciA1 TYR 217 H 0.38 0.64 0.44 -0.55 8.29 9.21 2zciA1 TYR 217 HA 0.23 0.18 0.90 -0.75 4.56 5.12 2zciA1 TYR 217 HB2 -0.04 -0.00 -0.15 -0.04 3.06 2.82 2zciA1 TYR 217 HB3 0.17 -0.04 0.01 -0.04 2.98 3.08 2zciA1 TYR 217 HD2 0.19 -0.06 -0.18 -0.04 7.15 7.06 2zciA1 TYR 217 HE2 0.12 0.00 -0.05 -0.04 6.85 6.88 2zciA1 GLY 218 H -0.41 0.51 0.20 -0.55 8.43 8.18 2zciA1 GLY 218 HA2 -0.61 0.13 0.16 -0.51 4.01 3.17 2zciA1 GLY 218 HA3 -0.29 0.34 0.30 -0.51 4.01 3.86 2zciA1 SER 219 H 0.06 0.19 -0.18 -0.55 8.46 7.99 2zciA1 SER 219 HA 0.14 0.17 0.94 -0.75 4.49 4.99 2zciA1 SER 219 HB2 0.13 0.11 -0.09 -0.04 3.95 4.06 2zciA1 SER 219 HB3 0.18 0.06 -0.07 -0.04 3.93 4.07 2zciA1 GLY 220 H 0.26 0.25 0.12 -0.55 8.43 8.51 2zciA1 GLY 220 HA2 0.11 0.12 0.70 -0.51 4.01 4.43 2zciA1 GLY 220 HA3 -0.29 0.08 0.29 -0.51 4.01 3.59 2zciA1 TYR 221 H 0.41 0.10 -0.30 -0.55 8.29 7.95 2zciA1 TYR 221 HA 0.50 0.17 0.61 -0.75 4.56 5.09 2zciA1 TYR 221 HB2 0.42 0.08 -0.04 -0.04 3.06 3.47 2zciA1 TYR 221 HB3 0.22 -0.01 -0.05 -0.04 2.98 3.10 2zciA1 TYR 221 HD2 0.02 -0.08 -0.37 -0.04 7.15 6.68 2zciA1 TYR 221 HE2 -0.05 -0.07 -0.13 -0.04 6.85 6.56 2zciA1 GLY 222 H -0.34 0.20 0.09 -0.55 8.43 7.83 2zciA1 GLY 222 HA2 -0.03 0.09 0.29 -0.51 4.01 3.85 2zciA1 GLY 222 HA3 -0.02 0.04 0.20 -0.51 4.01 3.72 2zciA1 GLY 223 H 0.21 0.15 0.04 -0.55 8.43 8.29 2zciA1 GLY 223 HA2 0.03 0.19 0.39 -0.51 4.01 4.11 2zciA1 GLY 223 HA3 0.14 0.04 0.24 -0.51 4.01 3.92 2zciA1 ASN 224 H 0.20 0.72 -0.35 -0.55 8.53 8.56 2zciA1 ASN 224 HA 0.16 0.17 0.69 -0.75 4.76 5.04 2zciA1 ASN 224 HB2 0.24 -0.09 -0.12 -0.04 2.88 2.86 2zciA1 ASN 224 HB3 0.19 -0.02 -0.07 -0.04 2.79 2.86 2zciA1 ASN 224 HD21 0.15 0.38 -0.14 -0.04 7.03 7.38 2zciA1 ASN 224 HD22 0.23 -0.18 -0.09 -0.04 7.74 7.66 2zciA1 ALA 225 H 0.05 0.27 -0.42 -0.55 8.40 7.75 2zciA1 ALA 225 HA -0.39 0.15 0.41 -0.75 4.34 3.76 2zciA1 ALA 225 HB3 -0.11 -0.01 -0.39 -0.04 1.41 0.86 2zciA1 ILE 226 H -0.10 0.71 -0.00 -0.55 8.25 8.30 2zciA1 ILE 226 HA -0.20 0.02 0.50 -0.75 4.18 3.74 2zciA1 ILE 226 HB -0.27 0.04 -0.04 -0.04 1.89 1.58 2zciA1 ILE 226 HG12 -0.29 0.05 -0.06 -0.04 1.49 1.14 2zciA1 ILE 226 HG13 -0.45 -0.01 -0.12 -0.04 1.21 0.59 2zciA1 ILE 226 HG23 -0.30 -0.06 -0.19 -0.04 0.93 0.34 2zciA1 ILE 226 HD13 -0.24 -0.01 -0.15 -0.04 0.88 0.43 2zciA1 LEU 227 H -0.08 0.25 0.01 -0.55 8.37 8.01 2zciA1 LEU 227 HA 0.09 0.19 -0.00 -0.75 4.35 3.88 2zciA1 LEU 227 HB2 0.17 -0.03 -0.08 -0.04 1.64 1.66 2zciA1 LEU 227 HB3 0.23 -0.05 -0.09 -0.04 1.64 1.69 2zciA1 LEU 227 HG 0.03 0.20 -0.21 -0.04 1.64 1.63 2zciA1 LEU 227 HD13 0.28 -0.01 -0.18 -0.04 0.93 0.98 2zciA1 LEU 227 HD23 0.18 0.02 -0.31 -0.04 0.89 0.74 2zciA1 ALA 228 H -0.14 0.06 -0.29 -0.55 8.40 7.48 2zciA1 ALA 228 HA 0.24 0.03 0.30 -0.75 4.34 4.15 2zciA1 ALA 228 HB3 -0.26 0.02 -0.16 -0.04 1.41 0.97 2zciA1 LYS 229 H -0.09 0.15 -0.32 -0.55 8.42 7.61 2zciA1 LYS 229 HA -0.02 0.02 0.43 -0.75 4.32 3.99 2zciA1 LYS 229 HB2 -0.15 0.02 -0.03 -0.04 1.87 1.67 2zciA1 LYS 229 HB3 -0.16 0.07 0.01 -0.04 1.79 1.66 2zciA1 LYS 229 HG2 -0.06 -0.03 -0.13 -0.04 1.46 1.19 2zciA1 LYS 229 HG3 0.01 0.04 -0.38 -0.04 1.46 1.08 2zciA1 LYS 229 HD2 0.04 -0.02 -0.08 -0.04 1.69 1.58 2zciA1 LYS 229 HD3 0.15 0.02 -0.07 -0.04 1.68 1.74 2zciA1 LYS 229 HE2 -0.07 -0.03 -0.04 -0.04 2.99 2.81 2zciA1 LYS 229 HE3 -0.10 0.01 -0.08 -0.04 2.99 2.78 2zciA1 LYS 230 H 0.02 0.15 0.01 -0.55 8.42 8.05 2zciA1 LYS 230 HA -0.09 0.02 0.30 -0.75 4.32 3.80 2zciA1 LYS 230 HB2 0.11 0.29 -0.08 -0.04 1.87 2.15 2zciA1 LYS 230 HB3 0.19 0.06 -0.08 -0.04 1.79 1.92 2zciA1 LYS 230 HG2 0.04 -0.06 -0.26 -0.04 1.46 1.15 2zciA1 LYS 230 HG3 0.13 0.04 -0.12 -0.04 1.46 1.48 2zciA1 LYS 230 HD2 -1.19 0.07 -0.07 -0.04 1.69 0.46 2zciA1 LYS 230 HD3 -0.29 -0.09 -0.03 -0.04 1.68 1.23 2zciA1 LYS 230 HE2 -0.02 -0.06 -0.07 -0.04 2.99 2.80 2zciA1 LYS 230 HE3 0.02 0.01 -0.07 -0.04 2.99 2.91 2zciA1 CYS 231 H 0.15 0.67 0.04 -0.55 8.50 8.82 2zciA1 CYS 231 HA 0.19 0.05 0.24 -0.75 4.58 4.32 2zciA1 CYS 231 HB2 0.20 0.19 0.07 -0.04 2.97 3.40 2zciA1 CYS 231 HB3 0.20 -0.08 -0.10 -0.04 2.97 2.95 2zciA1 TYR 232 H 0.35 0.64 -0.08 -0.55 8.29 8.65 2zciA1 TYR 232 HA 0.24 0.01 0.60 -0.75 4.56 4.66 2zciA1 TYR 232 HB2 0.29 0.01 -0.13 -0.04 3.06 3.20 2zciA1 TYR 232 HB3 0.28 0.03 0.09 -0.04 2.98 3.34 2zciA1 TYR 232 HD2 0.45 -0.07 -0.23 -0.04 7.15 7.26 2zciA1 TYR 232 HE2 0.13 0.01 -0.29 -0.04 6.85 6.67 2zciA1 ALA 233 H 0.27 0.83 -0.07 -0.55 8.40 8.88 2zciA1 ALA 233 HA 0.59 0.04 0.10 -0.75 4.34 4.32 2zciA1 ALA 233 HB3 0.11 -0.07 0.05 -0.04 1.41 1.45 2zciA1 LEU 234 H 0.24 0.32 -0.50 -0.55 8.37 7.88 2zciA1 LEU 234 HA 0.30 0.23 1.05 -0.75 4.35 5.17 2zciA1 LEU 234 HB2 0.05 0.08 0.10 -0.04 1.64 1.83 2zciA1 LEU 234 HB3 0.18 0.09 -0.05 -0.04 1.64 1.82 2zciA1 LEU 234 HG 0.02 -0.17 -0.25 -0.04 1.64 1.20 2zciA1 LEU 234 HD13 -0.33 -0.00 -0.11 -0.04 0.93 0.45 2zciA1 LEU 234 HD23 0.28 0.10 -0.25 -0.04 0.89 0.98 2zciA1 ARG 235 H 0.23 0.40 0.08 -0.55 8.46 8.61 2zciA1 ARG 235 HA 0.16 0.22 0.15 -0.75 4.34 4.11 2zciA1 ARG 235 HB2 0.17 0.10 0.24 -0.04 1.90 2.37 2zciA1 ARG 235 HB3 0.13 -0.06 -0.03 -0.04 1.80 1.80 2zciA1 ARG 235 HG2 0.19 0.25 -0.16 -0.04 1.67 1.91 2zciA1 ARG 235 HG3 0.26 0.01 -0.06 -0.04 1.67 1.84 2zciA1 ARG 235 HD2 0.14 -0.09 -0.08 -0.04 3.22 3.15 2zciA1 ARG 235 HD3 0.09 0.00 -0.13 -0.04 3.22 3.15 2zciA1 ILE 236 H 0.19 0.73 0.29 -0.55 8.25 8.92 2zciA1 ILE 236 HA 0.07 0.02 0.56 -0.75 4.18 4.08 2zciA1 ILE 236 HB 0.15 0.06 0.18 -0.04 1.89 2.24 2zciA1 ILE 236 HG12 0.10 0.18 -0.00 -0.04 1.49 1.73 2zciA1 ILE 236 HG13 -0.01 -0.04 -0.17 -0.04 1.21 0.95 2zciA1 ILE 236 HG23 -0.07 -0.01 -0.12 -0.04 0.93 0.69 2zciA1 ILE 236 HD13 0.04 -0.01 -0.09 -0.04 0.88 0.78 2zciA1 ALA 237 H 0.26 0.24 -0.60 -0.55 8.40 7.75 2zciA1 ALA 237 HA 0.08 -0.01 0.19 -0.75 4.34 3.85 2zciA1 ALA 237 HB3 0.30 0.05 -0.20 -0.04 1.41 1.51 2zciA1 SER 238 H 0.10 0.72 -0.18 -0.55 8.46 8.55 2zciA1 SER 238 HA -0.14 -0.06 0.59 -0.75 4.49 4.13 2zciA1 SER 238 HB2 0.35 -0.12 0.12 -0.04 3.95 4.27 2zciA1 SER 238 HB3 0.17 0.21 0.24 -0.04 3.93 4.51 2zciA1 VAL 239 H 0.03 0.37 -0.35 -0.55 8.24 7.75 2zciA1 VAL 239 HA -0.30 0.00 0.50 -0.75 4.13 3.58 2zciA1 VAL 239 HB -0.03 0.17 0.26 -0.04 2.12 2.48 2zciA1 VAL 239 HG13 -0.08 -0.02 -0.02 -0.04 0.97 0.80 2zciA1 VAL 239 HG23 0.10 0.05 0.07 -0.04 0.95 1.12 2zciA1 MET 240 H -0.11 0.49 0.06 -0.55 8.47 8.36 2zciA1 MET 240 HA -0.12 -0.01 0.41 -0.75 4.52 4.05 2zciA1 MET 240 HB2 -0.13 0.12 0.15 -0.04 2.15 2.25 2zciA1 MET 240 HB3 0.08 -0.00 -0.15 -0.04 2.03 1.92 2zciA1 MET 240 HG2 0.06 -0.02 0.00 -0.04 2.63 2.63 2zciA1 MET 240 HG3 -0.00 0.02 0.06 -0.04 2.56 2.60 2zciA1 MET 240 HE3 0.04 -0.01 -0.07 -0.04 2.10 2.02 2zciA1 ALA 241 H -0.86 0.81 -0.15 -0.55 8.40 7.67 2zciA1 ALA 241 HA -2.74 -0.06 0.29 -0.75 4.34 1.07 2zciA1 ALA 241 HB3 -1.08 0.09 -0.12 -0.04 1.41 0.26 2zciA1 ARG 242 H -0.42 0.56 -0.34 -0.55 8.46 7.71 2zciA1 ARG 242 HA -0.22 0.01 0.39 -0.75 4.34 3.76 2zciA1 ARG 242 HB2 -0.48 0.03 0.15 -0.04 1.90 1.55 2zciA1 ARG 242 HB3 -0.57 0.10 0.18 -0.04 1.80 1.48 2zciA1 ARG 242 HG2 -0.59 -0.09 -0.03 -0.04 1.67 0.92 2zciA1 ARG 242 HG3 -0.27 -0.02 -0.14 -0.04 1.67 1.19 2zciA1 ARG 242 HD2 -0.08 0.02 0.14 -0.04 3.22 3.25 2zciA1 ARG 242 HD3 0.03 -0.01 0.05 -0.04 3.22 3.26 2zciA1 GLU 243 H -0.27 0.47 -0.06 -0.55 8.60 8.19 2zciA1 GLU 243 HA -0.12 0.00 0.57 -0.75 4.29 3.98 2zciA1 GLU 243 HB2 -0.12 0.08 0.12 -0.04 2.09 2.13 2zciA1 GLU 243 HB3 -0.07 -0.06 0.02 -0.04 1.99 1.83 2zciA1 GLU 243 HG2 -0.10 -0.08 0.02 -0.04 2.34 2.14 2zciA1 GLU 243 HG3 -0.18 0.05 -0.01 -0.04 2.34 2.16 2zciA1 GLU 244 H -0.20 0.50 -0.13 -0.55 8.60 8.23 2zciA1 GLU 244 HA 0.03 0.10 0.73 -0.75 4.29 4.40 2zciA1 GLU 244 HB2 0.32 0.03 -0.02 -0.04 2.09 2.38 2zciA1 GLU 244 HB3 0.23 -0.04 0.08 -0.04 1.99 2.21 2zciA1 GLU 244 HG2 0.07 -0.04 -0.08 -0.04 2.34 2.25 2zciA1 GLU 244 HG3 0.02 -0.06 -0.15 -0.04 2.34 2.10 2zciA1 GLY 245 H -0.15 0.40 -0.03 -0.55 8.43 8.10 2zciA1 GLY 245 HA2 -0.04 -0.01 0.33 -0.51 4.01 3.78 2zciA1 GLY 245 HA3 0.04 0.05 0.55 -0.51 4.01 4.13 2zciA1 TRP 246 H -0.34 0.50 0.24 -0.55 7.97 7.82 2zciA1 TRP 246 HA -0.06 0.06 0.51 -0.75 4.62 4.38 2zciA1 TRP 246 HB2 -0.04 0.25 0.32 -0.04 3.23 3.72 2zciA1 TRP 246 HB3 -0.04 0.06 0.05 -0.04 3.23 3.26 2zciA1 TRP 246 HD1 -0.06 0.08 -0.40 -0.04 7.22 6.80 2zciA1 TRP 246 HE1 -0.12 -0.01 -0.20 -0.04 10.20 9.83 2zciA1 TRP 246 HE3 -0.14 0.15 0.01 -0.04 7.59 7.56 2zciA1 TRP 246 HZ2 -0.41 -0.05 -0.13 -0.04 7.44 6.81 2zciA1 TRP 246 HZ3 -1.09 0.00 -0.05 -0.04 7.13 5.95 2zciA1 TRP 246 HH2 -1.78 -0.04 -0.06 -0.04 7.19 5.27 2zciA1 MET 247 H 0.52 0.60 0.33 -0.55 8.47 9.37 2zciA1 MET 247 HA -0.14 0.17 0.95 -0.75 4.52 4.74 2zciA1 MET 247 HB2 0.08 -0.05 0.06 -0.04 2.15 2.19 2zciA1 MET 247 HB3 -0.03 -0.01 -0.08 -0.04 2.03 1.87 2zciA1 MET 247 HG2 -0.28 0.02 -0.16 -0.04 2.63 2.18 2zciA1 MET 247 HG3 -0.08 0.00 -0.56 -0.04 2.56 1.87 2zciA1 MET 247 HE3 -1.31 -0.01 -0.11 -0.04 2.10 0.63 2zciA1 ALA 248 H -0.04 0.20 0.15 -0.55 8.40 8.16 2zciA1 ALA 248 HA 0.42 0.26 0.93 -0.75 4.34 5.20 2zciA1 ALA 248 HB3 0.05 0.04 -0.01 -0.04 1.41 1.44 2zciA1 GLU 249 H 0.43 0.62 0.35 -0.55 8.60 9.46 2zciA1 GLU 249 HA 0.40 0.18 0.77 -0.75 4.29 4.89 2zciA1 GLU 249 HB2 0.29 0.03 -0.06 -0.04 2.09 2.30 2zciA1 GLU 249 HB3 0.38 -0.03 -0.07 -0.04 1.99 2.23 2zciA1 GLU 249 HG2 0.22 -0.04 -0.40 -0.04 2.34 2.08 2zciA1 GLU 249 HG3 0.23 -0.01 -0.18 -0.04 2.34 2.34 2zciA1 HIS 250 H 0.40 0.24 0.04 -0.55 8.41 8.55 2zciA1 HIS 250 HA 0.12 0.23 0.74 -0.75 4.63 4.97 2zciA1 HIS 250 HB2 0.18 -0.07 -0.00 -0.04 3.26 3.34 2zciA1 HIS 250 HB3 0.20 0.08 0.15 -0.04 3.20 3.59 2zciA1 HIS 250 HD2 -0.05 -0.01 -0.05 -0.04 6.97 6.83 2zciA1 HIS 250 HE1 0.18 -0.13 0.05 -0.04 7.75 7.81 2zciA1 MET 251 H 0.14 0.24 -0.17 -0.55 8.47 8.14 2zciA1 MET 251 HA -0.05 0.32 0.59 -0.75 4.52 4.62 2zciA1 MET 251 HB2 0.12 -0.03 -0.15 -0.04 2.15 2.06 2zciA1 MET 251 HB3 0.04 0.09 -0.12 -0.04 2.03 1.99 2zciA1 MET 251 HG2 0.01 -0.10 -0.44 -0.04 2.63 2.06 2zciA1 MET 251 HG3 0.17 -0.03 -0.47 -0.04 2.56 2.19 2zciA1 MET 251 HE3 0.28 0.01 -0.16 -0.04 2.10 2.19 2zciA1 LEU 252 H -0.07 0.25 0.04 -0.55 8.37 8.04 2zciA1 LEU 252 HA 0.04 -0.10 0.25 -0.75 4.35 3.79 2zciA1 LEU 252 HB2 0.06 0.14 0.15 -0.04 1.64 1.95 2zciA1 LEU 252 HB3 0.03 0.00 0.00 -0.04 1.64 1.63 2zciA1 LEU 252 HG -0.06 -0.14 -0.08 -0.04 1.64 1.32 2zciA1 LEU 252 HD13 0.06 0.01 -0.38 -0.04 0.93 0.58 2zciA1 LEU 252 HD23 0.02 0.04 0.03 -0.04 0.89 0.94 2zciA1 ILE 253 H 0.07 0.57 0.17 -0.55 8.25 8.51 2zciA1 ILE 253 HA 0.08 0.23 0.74 -0.75 4.18 4.47 2zciA1 ILE 253 HB 0.08 -0.16 0.04 -0.04 1.89 1.80 2zciA1 ILE 253 HG12 0.07 0.02 -0.23 -0.04 1.49 1.31 2zciA1 ILE 253 HG13 0.07 -0.00 -0.91 -0.04 1.21 0.33 2zciA1 ILE 253 HG23 0.08 0.01 -0.19 -0.04 0.93 0.79 2zciA1 ILE 253 HD13 0.06 0.00 -0.27 -0.04 0.88 0.64 2zciA1 LEU 254 H 0.11 0.55 0.30 -0.55 8.37 8.78 2zciA1 LEU 254 HA 0.11 0.19 1.07 -0.75 4.35 4.97 2zciA1 LEU 254 HB2 0.09 -0.05 -0.11 -0.04 1.64 1.53 2zciA1 LEU 254 HB3 0.10 -0.06 0.17 -0.04 1.64 1.81 2zciA1 LEU 254 HG 0.09 -0.00 -0.37 -0.04 1.64 1.32 2zciA1 LEU 254 HD13 0.08 0.03 -0.00 -0.04 0.93 1.00 2zciA1 LEU 254 HD23 0.10 -0.03 -0.16 -0.04 0.89 0.75 2zciA1 LYS 255 H 0.13 0.74 0.38 -0.55 8.42 9.12 2zciA1 LYS 255 HA -0.05 0.26 1.01 -0.75 4.32 4.78 2zciA1 LYS 255 HB2 0.23 -0.08 0.07 -0.04 1.87 2.05 2zciA1 LYS 255 HB3 0.10 -0.03 0.17 -0.04 1.79 1.98 2zciA1 LYS 255 HG2 -0.05 0.02 -0.21 -0.04 1.46 1.18 2zciA1 LYS 255 HG3 -0.25 0.05 -0.01 -0.04 1.46 1.21 2zciA1 LYS 255 HD2 0.17 -0.08 -0.04 -0.04 1.69 1.70 2zciA1 LYS 255 HD3 0.07 0.01 -0.07 -0.04 1.68 1.64 2zciA1 LYS 255 HE2 0.00 0.03 -0.06 -0.04 2.99 2.93 2zciA1 LYS 255 HE3 0.14 -0.02 -0.04 -0.04 2.99 3.03 2zciA1 LEU 256 H -0.02 0.74 0.23 -0.55 8.37 8.77 2zciA1 LEU 256 HA 0.14 0.29 1.09 -0.75 4.35 5.12 2zciA1 LEU 256 HB2 0.13 -0.05 -0.19 -0.04 1.64 1.49 2zciA1 LEU 256 HB3 0.23 -0.08 0.04 -0.04 1.64 1.79 2zciA1 LEU 256 HG 0.54 0.00 -0.18 -0.04 1.64 1.96 2zciA1 LEU 256 HD13 0.21 0.06 -0.09 -0.04 0.93 1.08 2zciA1 LEU 256 HD23 0.07 -0.02 -0.15 -0.04 0.89 0.74 2zciA1 ILE 257 H 0.12 0.66 0.29 -0.55 8.25 8.77 2zciA1 ILE 257 HA -0.00 0.31 1.14 -0.75 4.18 4.88 2zciA1 ILE 257 HB -0.02 -0.09 0.13 -0.04 1.89 1.87 2zciA1 ILE 257 HG12 -0.02 -0.01 -0.08 -0.04 1.49 1.34 2zciA1 ILE 257 HG13 -0.01 -0.07 -0.37 -0.04 1.21 0.72 2zciA1 ILE 257 HG23 -0.07 0.01 -0.13 -0.04 0.93 0.70 2zciA1 ILE 257 HD13 0.03 0.02 -0.19 -0.04 0.88 0.70 2zciA1 ASN 258 H -0.16 0.58 0.20 -0.55 8.53 8.61 2zciA1 ASN 258 HA -1.65 0.14 0.64 -0.75 4.76 3.14 2zciA1 ASN 258 HB2 -1.44 -0.00 0.07 -0.04 2.88 1.46 2zciA1 ASN 258 HB3 -0.39 -0.02 0.01 -0.04 2.79 2.35 2zciA1 ASN 258 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 2zciA1 ASN 258 HD22 0.07 -0.02 -0.03 -0.04 7.74 7.72 2zciA1 PRO 259 HA -0.26 0.14 0.37 -0.51 4.44 4.17 2zciA1 PRO 259 HB2 -0.14 -0.02 -0.02 -0.04 2.28 2.06 2zciA1 PRO 259 HB3 -0.15 -0.00 0.05 -0.04 2.02 1.88 2zciA1 PRO 259 HG2 -0.07 -0.00 0.02 -0.04 2.03 1.94 2zciA1 PRO 259 HG3 -0.47 0.11 -0.07 -0.04 2.03 1.55 2zciA1 PRO 259 HD2 -0.51 0.07 0.10 -0.04 3.68 3.31 2zciA1 PRO 259 HD3 -2.12 0.07 0.11 -0.04 3.65 1.67 2zciA1 GLU 260 H -0.11 0.05 0.12 -0.55 8.60 8.11 2zciA1 GLU 260 HA -0.08 -0.04 0.35 -0.75 4.29 3.77 2zciA1 GLU 260 HB2 -0.06 -0.04 0.12 -0.04 2.09 2.07 2zciA1 GLU 260 HB3 -0.05 0.02 0.17 -0.04 1.99 2.09 2zciA1 GLU 260 HG2 -0.04 -0.03 0.06 -0.04 2.34 2.30 2zciA1 GLU 260 HG3 -0.03 -0.03 0.03 -0.04 2.34 2.27 2zciA1 GLY 261 H -0.10 0.19 -0.10 -0.55 8.43 7.87 2zciA1 GLY 261 HA2 -0.07 -0.05 0.18 -0.51 4.01 3.56 2zciA1 GLY 261 HA3 -0.08 0.19 0.35 -0.51 4.01 3.96 2zciA1 LYS 262 H -0.11 0.23 0.02 -0.55 8.42 8.00 2zciA1 LYS 262 HA -0.14 -0.01 -0.12 -0.75 4.32 3.29 2zciA1 LYS 262 HB2 -0.06 0.05 0.14 -0.04 1.87 1.96 2zciA1 LYS 262 HB3 -0.07 -0.00 0.03 -0.04 1.79 1.71 2zciA1 LYS 262 HG2 -0.34 0.05 -0.02 -0.04 1.46 1.10 2zciA1 LYS 262 HG3 -0.13 -0.03 0.01 -0.04 1.46 1.27 2zciA1 LYS 262 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.62 2zciA1 LYS 262 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.60 2zciA1 LYS 262 HE2 -0.12 -0.03 -0.01 -0.04 2.99 2.79 2zciA1 LYS 262 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2zciA1 ALA 263 H -0.19 0.09 0.10 -0.55 8.40 7.86 2zciA1 ALA 263 HA -0.11 0.28 1.22 -0.75 4.34 4.99 2zciA1 ALA 263 HB3 -0.13 -0.01 0.07 -0.04 1.41 1.30 2zciA1 TYR 264 H 0.15 0.76 0.36 -0.55 8.29 9.01 2zciA1 TYR 264 HA -0.08 0.20 1.00 -0.75 4.56 4.93 2zciA1 TYR 264 HB2 0.03 0.00 0.06 -0.04 3.06 3.12 2zciA1 TYR 264 HB3 0.01 -0.02 0.09 -0.04 2.98 3.02 2zciA1 TYR 264 HD2 0.03 0.08 -0.01 -0.04 7.15 7.21 2zciA1 TYR 264 HE2 -0.01 0.00 -0.06 -0.04 6.85 6.74 2zciA1 HIS 265 H 0.15 0.27 0.24 -0.55 8.41 8.52 2zciA1 HIS 265 HA 0.08 0.35 0.91 -0.75 4.63 5.22 2zciA1 HIS 265 HB2 -0.01 0.31 0.09 -0.04 3.26 3.62 2zciA1 HIS 265 HB3 0.03 -0.05 -0.05 -0.04 3.20 3.08 2zciA1 HIS 265 HD2 0.04 -0.01 -0.11 -0.04 6.97 6.85 2zciA1 HIS 265 HE1 -0.03 -0.02 -0.07 -0.04 7.75 7.59 2zciA1 ILE 266 H 0.13 0.57 0.31 -0.55 8.25 8.71 2zciA1 ILE 266 HA 0.08 0.21 0.90 -0.75 4.18 4.62 2zciA1 ILE 266 HB 0.08 -0.02 0.06 -0.04 1.89 1.97 2zciA1 ILE 266 HG12 0.03 0.02 -0.07 -0.04 1.49 1.43 2zciA1 ILE 266 HG13 0.08 -0.08 -0.38 -0.04 1.21 0.79 2zciA1 ILE 266 HG23 0.03 -0.00 -0.24 -0.04 0.93 0.68 2zciA1 ILE 266 HD13 0.02 0.01 -0.12 -0.04 0.88 0.74 2zciA1 ALA 267 H 0.06 0.46 0.31 -0.55 8.40 8.69 2zciA1 ALA 267 HA 0.03 0.38 0.87 -0.75 4.34 4.87 2zciA1 ALA 267 HB3 0.06 -0.01 0.00 -0.04 1.41 1.42 2zciA1 ALA 268 H -0.08 0.35 0.04 -0.55 8.40 8.16 2zciA1 ALA 268 HA -0.27 0.22 0.92 -0.75 4.34 4.46 2zciA1 ALA 268 HB3 -0.46 0.00 -0.28 -0.04 1.41 0.63 2zciA1 ALA 269 H -0.23 0.54 0.23 -0.55 8.40 8.39 2zciA1 ALA 269 HA -0.10 0.30 1.22 -0.75 4.34 5.01 2zciA1 ALA 269 HB3 0.27 0.00 -0.01 -0.04 1.41 1.63 2zciA1 PHE 270 H -0.06 0.26 0.16 -0.55 8.34 8.15 2zciA1 PHE 270 HA 0.05 0.39 0.82 -0.75 4.62 5.12 2zciA1 PHE 270 HB2 0.05 -0.16 -0.04 -0.04 3.15 2.96 2zciA1 PHE 270 HB3 0.05 -0.01 -0.14 -0.04 3.06 2.91 2zciA1 PHE 270 HD2 0.06 0.05 -0.22 -0.04 7.28 7.12 2zciA1 PHE 270 HE2 0.05 0.03 -0.31 -0.04 7.38 7.11 2zciA1 PHE 270 HZ 0.03 0.00 -0.22 -0.04 7.32 7.09 2zciA1 PRO 271 HA 0.22 0.19 0.76 -0.51 4.44 5.10 2zciA1 PRO 271 HB2 0.05 -0.01 0.21 -0.04 2.28 2.49 2zciA1 PRO 271 HB3 0.08 0.03 0.15 -0.04 2.02 2.24 2zciA1 PRO 271 HG2 0.01 -0.11 0.19 -0.04 2.03 2.09 2zciA1 PRO 271 HG3 0.01 0.04 0.10 -0.04 2.03 2.13 2zciA1 PRO 271 HD2 0.15 0.45 0.40 -0.04 3.68 4.63 2zciA1 PRO 271 HD3 0.13 0.11 0.11 -0.04 3.65 3.96 2zciA1 SER 272 H 0.17 0.38 -0.04 -0.55 8.46 8.43 2zciA1 SER 272 HA 0.06 0.20 0.59 -0.75 4.49 4.59 2zciA1 SER 272 HB2 0.11 0.14 -0.32 -0.04 3.95 3.84 2zciA1 SER 272 HB3 0.13 -0.54 0.11 -0.04 3.93 3.59 2zciA1 ALA 273 H 0.10 -0.04 -0.03 -0.55 8.40 7.88 2zciA1 ALA 273 HA 0.06 0.17 0.49 -0.75 4.34 4.30 2zciA1 ALA 273 HB3 0.01 0.06 0.24 -0.04 1.41 1.69 2zciA1 CYS 274 H 0.02 0.27 0.03 -0.55 8.50 8.28 2zciA1 CYS 274 HA 0.02 0.12 0.49 -0.75 4.58 4.46 2zciA1 CYS 274 HB2 0.05 0.04 -0.10 -0.04 2.97 2.93 2zciA1 CYS 274 HB3 -0.02 0.13 0.04 -0.04 2.97 3.08 2zciA1 GLY 275 H 0.10 0.04 -0.05 -0.55 8.43 7.99 2zciA1 GLY 275 HA2 0.21 0.16 0.62 -0.51 4.01 4.49 2zciA1 GLY 275 HA3 0.17 0.08 0.21 -0.51 4.01 3.96 2zciA1 LYS 276 H 0.21 -0.09 -0.21 -0.55 8.42 7.77 2zciA1 LYS 276 HA 0.40 0.10 0.53 -0.75 4.32 4.60 2zciA1 LYS 276 HB2 0.08 0.17 0.19 -0.04 1.87 2.26 2zciA1 LYS 276 HB3 0.06 0.07 0.01 -0.04 1.79 1.89 2zciA1 LYS 276 HG2 0.11 0.02 0.08 -0.04 1.46 1.63 2zciA1 LYS 276 HG3 0.23 -0.28 0.04 -0.04 1.46 1.42 2zciA1 LYS 276 HD2 -0.15 0.34 0.21 -0.04 1.69 2.06 2zciA1 LYS 276 HD3 -0.03 -0.15 0.09 -0.04 1.68 1.55 2zciA1 LYS 276 HE2 -0.10 0.12 0.09 -0.04 2.99 3.06 2zciA1 LYS 276 HE3 -0.08 -0.16 -0.04 -0.04 2.99 2.67 2zciA1 THR 277 H 0.08 0.67 0.21 -0.55 8.28 8.70 2zciA1 THR 277 HA -0.00 0.04 0.57 -0.75 4.39 4.24 2zciA1 THR 277 HB 0.01 -0.08 0.14 -0.04 4.32 4.35 2zciA1 THR 277 HG23 -0.04 0.01 -0.15 -0.04 1.22 0.99 2zciA1 ASN 278 H 0.10 0.40 -0.34 -0.55 8.53 8.15 2zciA1 ASN 278 HA 0.04 0.04 0.30 -0.75 4.76 4.39 2zciA1 ASN 278 HB2 0.16 0.05 0.11 -0.04 2.88 3.16 2zciA1 ASN 278 HB3 0.15 -0.03 -0.03 -0.04 2.79 2.84 2zciA1 ASN 278 HD21 0.24 -0.04 -0.05 -0.04 7.03 7.14 2zciA1 ASN 278 HD22 0.25 -0.08 0.01 -0.04 7.74 7.88 2zciA1 LEU 279 H 0.22 0.27 -0.30 -0.55 8.37 8.01 2zciA1 LEU 279 HA 0.13 0.08 0.64 -0.75 4.35 4.46 2zciA1 LEU 279 HB2 0.51 0.01 0.04 -0.04 1.64 2.17 2zciA1 LEU 279 HB3 0.35 0.03 0.02 -0.04 1.64 2.00 2zciA1 LEU 279 HG 0.24 0.03 -0.22 -0.04 1.64 1.65 2zciA1 LEU 279 HD13 0.18 -0.01 -0.08 -0.04 0.93 0.98 2zciA1 LEU 279 HD23 0.69 -0.02 -0.16 -0.04 0.89 1.36 2zciA1 ALA 280 H 0.11 0.80 -0.00 -0.55 8.40 8.76 2zciA1 ALA 280 HA 0.08 -0.01 0.31 -0.75 4.34 3.96 2zciA1 ALA 280 HB3 0.04 -0.02 0.14 -0.04 1.41 1.53 2zciA1 MET 281 H -0.01 0.41 -0.39 -0.55 8.47 7.94 2zciA1 MET 281 HA -0.02 0.15 0.63 -0.75 4.52 4.53 2zciA1 MET 281 HB2 -0.08 -0.03 0.01 -0.04 2.15 2.01 2zciA1 MET 281 HB3 -0.10 -0.11 0.01 -0.04 2.03 1.78 2zciA1 MET 281 HG2 -0.27 -0.02 -0.21 -0.04 2.63 2.09 2zciA1 MET 281 HG3 -0.16 0.22 0.01 -0.04 2.56 2.59 2zciA1 MET 281 HE3 -0.94 -0.01 -0.06 -0.04 2.10 1.05 2zciA1 ILE 282 H 0.04 0.39 -0.58 -0.55 8.25 7.56 2zciA1 ILE 282 HA 0.01 0.03 0.43 -0.75 4.18 3.89 2zciA1 ILE 282 HB 0.04 0.14 0.13 -0.04 1.89 2.16 2zciA1 ILE 282 HG12 -0.01 -0.04 -0.34 -0.04 1.49 1.06 2zciA1 ILE 282 HG13 -0.01 -0.00 -0.07 -0.04 1.21 1.09 2zciA1 ILE 282 HG23 0.05 -0.02 -0.15 -0.04 0.93 0.76 2zciA1 ILE 282 HD13 -0.05 -0.03 -0.16 -0.04 0.88 0.60 2zciA1 THR 283 H -0.00 0.13 0.14 -0.55 8.28 8.00 2zciA1 THR 283 HA 0.03 0.26 0.79 -0.75 4.39 4.71 2zciA1 THR 283 HB 0.02 0.04 0.14 -0.04 4.32 4.48 2zciA1 THR 283 HG23 -0.00 -0.00 0.03 -0.04 1.22 1.20 2zciA1 PRO 284 HA -0.01 0.06 0.35 -0.51 4.44 4.33 2zciA1 PRO 284 HB2 0.13 0.31 -0.04 -0.04 2.28 2.64 2zciA1 PRO 284 HB3 0.06 -0.11 0.03 -0.04 2.02 1.96 2zciA1 PRO 284 HG2 0.18 0.01 -0.50 -0.04 2.03 1.67 2zciA1 PRO 284 HG3 0.08 0.01 -0.17 -0.04 2.03 1.91 2zciA1 PRO 284 HD2 0.08 0.12 0.12 -0.04 3.68 3.96 2zciA1 PRO 284 HD3 0.06 0.29 0.02 -0.04 3.65 3.98 2zciA1 THR 285 H -0.03 0.03 0.15 -0.55 8.28 7.88 2zciA1 THR 285 HA -0.01 0.18 0.49 -0.75 4.39 4.30 2zciA1 THR 285 HB -0.07 0.16 -0.20 -0.04 4.32 4.17 2zciA1 THR 285 HG23 -0.07 -0.03 -0.22 -0.04 1.22 0.85 2zciA1 ILE 286 H 0.03 0.06 -0.01 -0.55 8.25 7.78 2zciA1 ILE 286 HA 0.05 0.22 0.74 -0.75 4.18 4.44 2zciA1 ILE 286 HB 0.07 0.10 0.03 -0.04 1.89 2.05 2zciA1 ILE 286 HG12 -0.15 -0.28 0.01 -0.04 1.49 1.04 2zciA1 ILE 286 HG13 -0.30 0.04 -0.07 -0.04 1.21 0.84 2zciA1 ILE 286 HG23 -0.06 0.00 -0.18 -0.04 0.93 0.65 2zciA1 ILE 286 HD13 -0.61 0.02 -0.18 -0.04 0.88 0.06 2zciA1 PRO 287 HA 0.10 0.01 0.41 -0.51 4.44 4.45 2zciA1 PRO 287 HB2 0.10 0.02 0.12 -0.04 2.28 2.48 2zciA1 PRO 287 HB3 0.06 0.01 0.05 -0.04 2.02 2.11 2zciA1 PRO 287 HG2 0.06 0.05 0.09 -0.04 2.03 2.19 2zciA1 PRO 287 HG3 0.06 0.05 0.05 -0.04 2.03 2.15 2zciA1 PRO 287 HD2 0.12 0.12 0.20 -0.04 3.68 4.08 2zciA1 PRO 287 HD3 0.07 0.23 0.26 -0.04 3.65 4.17 2zciA1 GLY 288 H 0.08 0.14 0.12 -0.55 8.43 8.22 2zciA1 GLY 288 HA2 0.00 -0.02 0.27 -0.51 4.01 3.76 2zciA1 GLY 288 HA3 -0.04 0.04 0.50 -0.51 4.01 4.00 2zciA1 TRP 289 H 0.43 0.25 -0.43 -0.55 7.97 7.67 2zciA1 TRP 289 HA 0.02 0.42 0.88 -0.75 4.62 5.20 2zciA1 TRP 289 HB2 0.02 -0.08 0.03 -0.04 3.23 3.16 2zciA1 TRP 289 HB3 0.02 0.03 -0.05 -0.04 3.23 3.19 2zciA1 TRP 289 HD1 0.02 0.02 -0.37 -0.04 7.22 6.85 2zciA1 TRP 289 HE1 0.02 0.00 -0.06 -0.04 10.20 10.13 2zciA1 TRP 289 HE3 0.02 0.05 -0.21 -0.04 7.59 7.42 2zciA1 TRP 289 HZ2 0.01 0.00 -0.02 -0.04 7.44 7.39 2zciA1 TRP 289 HZ3 -0.06 0.01 -0.17 -0.04 7.13 6.86 2zciA1 TRP 289 HH2 -0.08 -0.01 -0.03 -0.04 7.19 7.03 2zciA1 THR 290 H 0.12 0.45 0.23 -0.55 8.28 8.52 2zciA1 THR 290 HA 0.11 0.18 0.82 -0.75 4.39 4.74 2zciA1 THR 290 HB 0.05 0.03 0.07 -0.04 4.32 4.43 2zciA1 THR 290 HG23 0.03 0.03 -0.20 -0.04 1.22 1.04 2zciA1 ALA 291 H 0.08 0.25 0.21 -0.55 8.40 8.39 2zciA1 ALA 291 HA 0.10 0.29 1.07 -0.75 4.34 5.05 2zciA1 ALA 291 HB3 0.08 0.05 0.01 -0.04 1.41 1.51 2zciA1 GLN 292 H 0.08 0.80 0.43 -0.55 8.47 9.22 2zciA1 GLN 292 HA 0.06 0.23 0.70 -0.75 4.36 4.60 2zciA1 GLN 292 HB2 0.08 -0.16 0.02 -0.04 2.15 2.06 2zciA1 GLN 292 HB3 0.09 0.06 -0.11 -0.04 2.02 2.02 2zciA1 GLN 292 HG2 0.06 0.09 -0.03 -0.04 2.40 2.47 2zciA1 GLN 292 HG3 0.06 -0.06 -0.55 -0.04 2.39 1.80 2zciA1 GLN 292 HE21 0.04 -0.07 -0.06 -0.04 6.97 6.84 2zciA1 GLN 292 HE22 0.04 0.05 -0.08 -0.04 7.69 7.66 2zciA1 VAL 293 H 0.08 0.43 0.23 -0.55 8.24 8.43 2zciA1 VAL 293 HA 0.10 0.14 0.72 -0.75 4.13 4.34 2zciA1 VAL 293 HB 0.04 0.38 -0.16 -0.04 2.12 2.34 2zciA1 VAL 293 HG13 0.06 -0.01 -0.11 -0.04 0.97 0.87 2zciA1 VAL 293 HG23 0.14 0.00 -0.25 -0.04 0.95 0.80 2zciA1 VAL 294 H 0.12 0.56 0.44 -0.55 8.24 8.81 2zciA1 VAL 294 HA 0.14 0.10 0.76 -0.75 4.13 4.37 2zciA1 VAL 294 HB 0.10 -0.02 0.01 -0.04 2.12 2.17 2zciA1 VAL 294 HG13 0.10 -0.00 -0.05 -0.04 0.97 0.98 2zciA1 VAL 294 HG23 0.14 -0.02 -0.11 -0.04 0.95 0.92 2zciA1 GLY 295 H 0.11 0.57 0.47 -0.55 8.43 9.03 2zciA1 GLY 295 HA2 0.07 0.17 0.68 -0.51 4.01 4.42 2zciA1 GLY 295 HA3 0.06 0.09 0.35 -0.51 4.01 4.00 2zciA1 ASP 296 H 0.22 0.17 0.14 -0.55 8.40 8.38 2zciA1 ASP 296 HA 0.08 0.20 0.86 -0.75 4.63 5.02 2zciA1 ASP 296 HB2 0.03 0.00 0.13 -0.04 2.71 2.84 2zciA1 ASP 296 HB3 0.05 0.04 -0.07 -0.04 2.70 2.69 2zciA1 ASP 297 H 0.06 0.13 -0.05 -0.55 8.40 7.99 2zciA1 ASP 297 HA -0.01 0.14 0.74 -0.75 4.63 4.74 2zciA1 ASP 297 HB2 0.09 -0.04 -0.29 -0.04 2.71 2.42 2zciA1 ASP 297 HB3 0.06 -0.02 0.05 -0.04 2.70 2.75 2zciA1 ILE 298 H 0.04 0.06 0.20 -0.55 8.25 8.00 2zciA1 ILE 298 HA 0.18 0.32 0.98 -0.75 4.18 4.90 2zciA1 ILE 298 HB -0.03 -0.07 0.12 -0.04 1.89 1.87 2zciA1 ILE 298 HG12 0.07 -0.24 -0.26 -0.04 1.49 1.02 2zciA1 ILE 298 HG13 0.01 -0.04 -0.04 -0.04 1.21 1.10 2zciA1 ILE 298 HG23 0.23 0.01 -0.09 -0.04 0.93 1.04 2zciA1 ILE 298 HD13 0.09 0.03 -0.17 -0.04 0.88 0.78 2zciA1 ALA 299 H 0.27 0.62 0.35 -0.55 8.40 9.10 2zciA1 ALA 299 HA 0.14 0.29 0.93 -0.75 4.34 4.95 2zciA1 ALA 299 HB3 0.18 -0.00 -0.11 -0.04 1.41 1.43 2zciA1 TRP 300 H 0.32 0.68 0.30 -0.55 7.97 8.72 2zciA1 TRP 300 HA 0.37 0.25 1.10 -0.75 4.62 5.58 2zciA1 TRP 300 HB2 0.02 -0.01 0.21 -0.04 3.23 3.41 2zciA1 TRP 300 HB3 -0.13 0.03 0.09 -0.04 3.23 3.18 2zciA1 TRP 300 HD1 0.28 0.06 -0.51 -0.04 7.22 7.01 2zciA1 TRP 300 HE1 0.25 0.36 0.07 -0.04 10.20 10.84 2zciA1 TRP 300 HE3 -0.24 0.01 -0.00 -0.04 7.59 7.32 2zciA1 TRP 300 HZ2 0.18 -0.03 -0.14 -0.04 7.44 7.41 2zciA1 TRP 300 HZ3 -0.04 -0.02 0.07 -0.04 7.13 7.10 2zciA1 TRP 300 HH2 -0.05 -0.06 -0.06 -0.04 7.19 6.98 2zciA1 LEU 301 H 0.42 0.65 0.35 -0.55 8.37 9.23 2zciA1 LEU 301 HA 0.18 0.44 1.25 -0.75 4.35 5.46 2zciA1 LEU 301 HB2 0.12 -0.07 -0.11 -0.04 1.64 1.54 2zciA1 LEU 301 HB3 0.11 -0.01 -0.15 -0.04 1.64 1.55 2zciA1 LEU 301 HG 0.20 -0.02 -0.55 -0.04 1.64 1.23 2zciA1 LEU 301 HD13 0.16 0.01 -0.19 -0.04 0.93 0.88 2zciA1 LEU 301 HD23 0.11 -0.01 -0.24 -0.04 0.89 0.72 2zciA1 LYS 302 H 0.13 0.54 0.35 -0.55 8.42 8.88 2zciA1 LYS 302 HA 0.14 0.10 0.92 -0.75 4.32 4.72 2zciA1 LYS 302 HB2 -0.02 -0.01 -0.38 -0.04 1.87 1.43 2zciA1 LYS 302 HB3 0.02 -0.00 -0.01 -0.04 1.79 1.76 2zciA1 LYS 302 HG2 0.00 0.15 -0.08 -0.04 1.46 1.50 2zciA1 LYS 302 HG3 0.03 0.05 0.04 -0.04 1.46 1.54 2zciA1 LYS 302 HD2 -0.23 -0.02 -0.10 -0.04 1.69 1.30 2zciA1 LYS 302 HD3 -0.06 -0.02 -0.09 -0.04 1.68 1.47 2zciA1 LYS 302 HE2 -0.06 -0.04 -0.04 -0.04 2.99 2.81 2zciA1 LYS 302 HE3 -0.04 0.04 -0.02 -0.04 2.99 2.92 2zciA1 LEU 303 H 0.04 0.21 0.22 -0.55 8.37 8.29 2zciA1 LEU 303 HA 0.05 0.07 0.79 -0.75 4.35 4.51 2zciA1 LEU 303 HB2 -0.02 -0.04 0.18 -0.04 1.64 1.72 2zciA1 LEU 303 HB3 -0.01 0.03 0.08 -0.04 1.64 1.70 2zciA1 LEU 303 HG -0.04 0.12 -0.06 -0.04 1.64 1.62 2zciA1 LEU 303 HD13 -0.10 -0.02 -0.21 -0.04 0.93 0.56 2zciA1 LEU 303 HD23 -0.09 -0.02 -0.07 -0.04 0.89 0.67 2zciA1 ARG 304 H 0.11 0.69 0.41 -0.55 8.46 9.12 2zciA1 ARG 304 HA -0.07 0.22 0.78 -0.75 4.34 4.51 2zciA1 ARG 304 HB2 -0.55 0.01 0.12 -0.04 1.90 1.43 2zciA1 ARG 304 HB3 -0.31 -0.22 0.23 -0.04 1.80 1.46 2zciA1 ARG 304 HG2 -0.18 0.03 0.01 -0.04 1.67 1.49 2zciA1 ARG 304 HG3 -0.17 0.07 -0.32 -0.04 1.67 1.21 2zciA1 ARG 304 HD2 -0.31 0.10 -0.02 -0.04 3.22 2.94 2zciA1 ARG 304 HD3 -1.21 -0.00 -0.04 -0.04 3.22 1.93 2zciA1 GLU 305 H -0.11 0.09 0.16 -0.55 8.60 8.20 2zciA1 GLU 305 HA -0.02 0.13 0.41 -0.75 4.29 4.06 2zciA1 GLU 305 HB2 -0.03 -0.02 0.09 -0.04 2.09 2.09 2zciA1 GLU 305 HB3 -0.02 0.01 0.06 -0.04 1.99 2.01 2zciA1 GLU 305 HG2 -0.04 0.00 0.05 -0.04 2.34 2.31 2zciA1 GLU 305 HG3 -0.05 0.04 0.05 -0.04 2.34 2.33 2zciA1 ASP 306 H 0.07 0.03 -0.01 -0.55 8.40 7.94 2zciA1 ASP 306 HA 0.04 0.34 1.07 -0.75 4.63 5.33 2zciA1 ASP 306 HB2 0.06 0.04 0.16 -0.04 2.71 2.94 2zciA1 ASP 306 HB3 0.05 -0.04 -0.04 -0.04 2.70 2.63 2zciA1 GLY 307 H 0.13 0.20 -0.38 -0.55 8.43 7.83 2zciA1 GLY 307 HA2 0.04 0.29 0.37 -0.51 4.01 4.20 2zciA1 GLY 307 HA3 0.07 0.12 0.54 -0.51 4.01 4.22 2zciA1 LEU 308 H -0.01 0.35 0.21 -0.55 8.37 8.37 2zciA1 LEU 308 HA 0.10 0.13 0.79 -0.75 4.35 4.62 2zciA1 LEU 308 HB2 -0.07 0.05 0.03 -0.04 1.64 1.61 2zciA1 LEU 308 HB3 0.01 -0.01 0.12 -0.04 1.64 1.72 2zciA1 LEU 308 HG 0.05 0.01 -0.26 -0.04 1.64 1.39 2zciA1 LEU 308 HD13 -0.06 0.01 -0.30 -0.04 0.93 0.54 2zciA1 LEU 308 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 2zciA1 TYR 309 H 0.26 0.70 0.35 -0.55 8.29 9.05 2zciA1 TYR 309 HA -0.02 0.29 0.90 -0.75 4.56 4.97 2zciA1 TYR 309 HB2 -0.03 0.11 0.14 -0.04 3.06 3.24 2zciA1 TYR 309 HB3 -0.05 0.09 -0.08 -0.04 2.98 2.90 2zciA1 TYR 309 HD2 -0.07 0.07 -0.54 -0.04 7.15 6.57 2zciA1 TYR 309 HE2 -0.06 -0.05 -0.25 -0.04 6.85 6.44 2zciA1 ALA 310 H 0.01 0.67 0.34 -0.55 8.40 8.87 2zciA1 ALA 310 HA 0.13 0.43 1.16 -0.75 4.34 5.31 2zciA1 ALA 310 HB3 0.07 -0.02 -0.08 -0.04 1.41 1.34 2zciA1 VAL 311 H 0.14 0.57 0.28 -0.55 8.24 8.68 2zciA1 VAL 311 HA 0.02 0.12 0.83 -0.75 4.13 4.34 2zciA1 VAL 311 HB 0.08 -0.05 0.06 -0.04 2.12 2.17 2zciA1 VAL 311 HG13 -0.04 0.04 -0.13 -0.04 0.97 0.80 2zciA1 VAL 311 HG23 0.05 0.01 -0.13 -0.04 0.95 0.85 2zciA1 ASN 312 H 0.01 0.20 0.11 -0.55 8.53 8.31 2zciA1 ASN 312 HA -0.08 0.26 0.86 -0.75 4.76 5.04 2zciA1 ASN 312 HB2 0.02 -0.03 0.09 -0.04 2.88 2.92 2zciA1 ASN 312 HB3 0.05 0.14 0.29 -0.04 2.79 3.22 2zciA1 ASN 312 HD21 -0.14 -0.20 0.10 -0.04 7.03 6.74 2zciA1 ASN 312 HD22 -0.09 0.48 0.30 -0.04 7.74 8.39 2zciA1 PRO 313 HA -0.55 0.13 0.38 -0.51 4.44 3.89 2zciA1 PRO 313 HB2 -0.98 -0.04 -0.12 -0.04 2.28 1.10 2zciA1 PRO 313 HB3 -2.62 0.08 -0.02 -0.04 2.02 -0.59 2zciA1 PRO 313 HG2 -0.47 -0.07 -0.04 -0.04 2.03 1.40 2zciA1 PRO 313 HG3 -1.36 0.08 -0.08 -0.04 2.03 0.63 2zciA1 PRO 313 HD2 -0.27 0.26 0.11 -0.04 3.68 3.75 2zciA1 PRO 313 HD3 -0.61 0.17 -0.06 -0.04 3.65 3.11 2zciA1 GLU 314 H -0.22 -0.01 -0.35 -0.55 8.60 7.48 2zciA1 GLU 314 HA -0.17 0.18 0.60 -0.75 4.29 4.15 2zciA1 GLU 314 HB2 -0.14 -0.06 0.09 -0.04 2.09 1.95 2zciA1 GLU 314 HB3 -0.14 0.05 0.16 -0.04 1.99 2.03 2zciA1 GLU 314 HG2 -0.16 0.05 -0.13 -0.04 2.34 2.07 2zciA1 GLU 314 HG3 -0.14 -0.04 0.02 -0.04 2.34 2.14 2zciA1 ASN 315 H -0.14 0.71 0.17 -0.55 8.53 8.72 2zciA1 ASN 315 HA -0.06 0.17 0.83 -0.75 4.76 4.94 2zciA1 ASN 315 HB2 -0.05 -0.10 -0.39 -0.04 2.88 2.30 2zciA1 ASN 315 HB3 -0.08 0.19 -0.41 -0.04 2.79 2.45 2zciA1 ASN 315 HD21 0.01 -0.15 0.05 -0.04 7.03 6.90 2zciA1 ASN 315 HD22 -0.03 0.48 -0.07 -0.04 7.74 8.09 2zciA1 GLY 316 H -0.26 0.27 0.07 -0.55 8.43 7.97 2zciA1 GLY 316 HA2 -0.30 -0.06 1.03 -0.51 4.01 4.16 2zciA1 GLY 316 HA3 -0.15 0.08 -0.14 -0.51 4.01 3.30 2zciA1 PHE 317 H -0.06 0.90 0.33 -0.55 8.34 8.96 2zciA1 PHE 317 HA 0.01 0.04 0.77 -0.75 4.62 4.68 2zciA1 PHE 317 HB2 0.11 0.10 0.07 -0.04 3.15 3.38 2zciA1 PHE 317 HB3 0.11 -0.07 0.01 -0.04 3.06 3.07 2zciA1 PHE 317 HD2 -0.02 0.02 -0.08 -0.04 7.28 7.16 2zciA1 PHE 317 HE2 -0.08 -0.03 -0.10 -0.04 7.38 7.12 2zciA1 PHE 317 HZ -0.11 0.04 -0.19 -0.04 7.32 7.02 2zciA1 PHE 318 H 0.17 0.11 -0.04 -0.55 8.34 8.03 2zciA1 PHE 318 HA -0.15 0.36 0.87 -0.75 4.62 4.94 2zciA1 PHE 318 HB2 -0.07 0.02 -0.28 -0.04 3.15 2.78 2zciA1 PHE 318 HB3 -0.06 -0.05 0.08 -0.04 3.06 2.99 2zciA1 PHE 318 HD2 -0.07 0.03 -0.04 -0.04 7.28 7.16 2zciA1 PHE 318 HE2 -0.06 -0.04 -0.08 -0.04 7.38 7.16 2zciA1 PHE 318 HZ -0.19 -0.10 -0.03 -0.04 7.32 6.96 2zciA1 GLY 319 H -0.84 0.35 0.10 -0.55 8.43 7.50 2zciA1 GLY 319 HA2 -0.31 0.14 0.59 -0.51 4.01 3.92 2zciA1 GLY 319 HA3 -0.43 0.00 0.21 -0.51 4.01 3.28 2zciA1 VAL 320 H -0.28 0.03 0.11 -0.55 8.24 7.55 2zciA1 VAL 320 HA -0.37 0.33 0.38 -0.75 4.13 3.71 2zciA1 VAL 320 HB -0.17 -0.17 0.13 -0.04 2.12 1.86 2zciA1 VAL 320 HG13 -0.19 0.05 -0.10 -0.04 0.97 0.68 2zciA1 VAL 320 HG23 -0.14 0.00 0.04 -0.04 0.95 0.81 2zciA1 ALA 321 H -0.43 0.74 0.18 -0.55 8.40 8.34 2zciA1 ALA 321 HA -0.62 0.05 0.35 -0.75 4.34 3.38 2zciA1 ALA 321 HB3 -1.12 -0.03 -0.19 -0.04 1.41 0.03 2zciA1 PRO 322 HA -0.42 0.07 0.45 -0.51 4.44 4.03 2zciA1 PRO 322 HB2 -0.15 0.03 0.02 -0.04 2.28 2.14 2zciA1 PRO 322 HB3 -0.12 -0.06 0.06 -0.04 2.02 1.86 2zciA1 PRO 322 HG2 -0.17 0.11 0.08 -0.04 2.03 2.00 2zciA1 PRO 322 HG3 -0.16 -0.10 0.02 -0.04 2.03 1.75 2zciA1 PRO 322 HD2 -0.26 0.20 0.05 -0.04 3.68 3.62 2zciA1 PRO 322 HD3 -0.33 0.07 0.09 -0.04 3.65 3.45 2zciA1 GLY 323 H -0.02 0.38 0.22 -0.55 8.43 8.46 2zciA1 GLY 323 HA2 -0.02 -0.06 0.30 -0.51 4.01 3.72 2zciA1 GLY 323 HA3 -0.05 0.13 0.64 -0.51 4.01 4.23 2zciA1 THR 324 H -0.10 0.33 -0.08 -0.55 8.28 7.88 2zciA1 THR 324 HA -0.03 0.03 0.47 -0.75 4.39 4.11 2zciA1 THR 324 HB -0.16 0.05 0.08 -0.04 4.32 4.25 2zciA1 THR 324 HG23 -0.02 -0.03 -0.18 -0.04 1.22 0.95 2zciA1 ASN 325 H -0.06 0.17 0.25 -0.55 8.53 8.35 2zciA1 ASN 325 HA -0.03 0.13 0.58 -0.75 4.76 4.68 2zciA1 ASN 325 HB2 0.00 -0.20 0.20 -0.04 2.88 2.85 2zciA1 ASN 325 HB3 0.00 0.38 -0.06 -0.04 2.79 3.07 2zciA1 ASN 325 HD21 -0.14 0.08 -0.04 -0.04 7.03 6.88 2zciA1 ASN 325 HD22 -0.04 -0.01 0.00 -0.04 7.74 7.65 2zciA1 TYR 326 H 0.11 0.14 0.15 -0.55 8.29 8.14 2zciA1 TYR 326 HA -0.05 0.11 0.55 -0.75 4.56 4.42 2zciA1 TYR 326 HB2 -0.05 -0.04 0.10 -0.04 3.06 3.04 2zciA1 TYR 326 HB3 -0.04 0.09 0.03 -0.04 2.98 3.02 2zciA1 TYR 326 HD2 -0.04 -0.04 0.07 -0.04 7.15 7.10 2zciA1 TYR 326 HE2 -0.03 0.05 -0.03 -0.04 6.85 6.79 2zciA1 ALA 327 H -0.00 0.02 -0.03 -0.55 8.40 7.84 2zciA1 ALA 327 HA -0.07 0.24 0.88 -0.75 4.34 4.63 2zciA1 ALA 327 HB3 -0.11 0.01 0.04 -0.04 1.41 1.31 2zciA1 SER 328 H -0.21 -0.04 -0.18 -0.55 8.46 7.49 2zciA1 SER 328 HA -0.70 0.18 0.87 -0.75 4.49 4.09 2zciA1 SER 328 HB2 -0.78 0.00 0.10 -0.04 3.95 3.23 2zciA1 SER 328 HB3 -0.71 -0.02 0.06 -0.04 3.93 3.22 2zciA1 ASN 329 H -0.15 0.27 0.04 -0.55 8.53 8.14 2zciA1 ASN 329 HA -0.08 0.23 0.70 -0.75 4.76 4.86 2zciA1 ASN 329 HB2 -0.06 0.04 -0.27 -0.04 2.88 2.55 2zciA1 ASN 329 HB3 -0.09 -0.06 0.16 -0.04 2.79 2.76 2zciA1 ASN 329 HD21 -0.06 0.18 -0.29 -0.04 7.03 6.82 2zciA1 ASN 329 HD22 -0.02 -0.04 -0.25 -0.04 7.74 7.39 2zciA1 PRO 330 HA -0.23 -0.04 0.45 -0.51 4.44 4.11 2zciA1 PRO 330 HB2 0.05 0.05 -0.00 -0.04 2.28 2.33 2zciA1 PRO 330 HB3 0.18 0.00 0.21 -0.04 2.02 2.37 2zciA1 PRO 330 HG2 -0.00 0.04 0.07 -0.04 2.03 2.09 2zciA1 PRO 330 HG3 0.01 0.65 0.20 -0.04 2.03 2.85 2zciA1 PRO 330 HD2 -0.05 0.18 -0.02 -0.04 3.68 3.74 2zciA1 PRO 330 HD3 -0.08 -0.00 -0.48 -0.04 3.65 3.04 2zciA1 ILE 331 H -0.05 0.26 -0.16 -0.55 8.25 7.74 2zciA1 ILE 331 HA -0.03 0.07 0.59 -0.75 4.18 4.05 2zciA1 ILE 331 HB -0.06 0.14 0.06 -0.04 1.89 1.98 2zciA1 ILE 331 HG12 -0.01 -0.09 0.00 -0.04 1.49 1.35 2zciA1 ILE 331 HG13 -0.01 0.23 -0.13 -0.04 1.21 1.26 2zciA1 ILE 331 HG23 -0.06 -0.02 -0.16 -0.04 0.93 0.65 2zciA1 ILE 331 HD13 0.01 -0.02 -0.01 -0.04 0.88 0.82 2zciA1 ALA 332 H -0.12 0.19 -0.22 -0.55 8.40 7.69 2zciA1 ALA 332 HA -0.22 0.05 0.39 -0.75 4.34 3.81 2zciA1 ALA 332 HB3 -0.16 0.07 0.06 -0.04 1.41 1.33 2zciA1 MET 333 H -0.23 0.28 -0.21 -0.55 8.47 7.76 2zciA1 MET 333 HA -0.21 0.04 0.17 -0.75 4.52 3.76 2zciA1 MET 333 HB2 -0.74 0.05 0.11 -0.04 2.15 1.53 2zciA1 MET 333 HB3 -1.15 -0.01 -0.08 -0.04 2.03 0.76 2zciA1 MET 333 HG2 -0.38 0.19 -0.38 -0.04 2.63 2.01 2zciA1 MET 333 HG3 -1.04 -0.19 -0.34 -0.04 2.56 0.95 2zciA1 MET 333 HE3 -0.19 -0.02 -0.06 -0.04 2.10 1.78 2zciA1 LYS 334 H -0.09 0.81 0.05 -0.55 8.42 8.64 2zciA1 LYS 334 HA 0.05 0.00 0.61 -0.75 4.32 4.23 2zciA1 LYS 334 HB2 0.01 0.03 0.19 -0.04 1.87 2.07 2zciA1 LYS 334 HB3 0.04 0.00 0.09 -0.04 1.79 1.88 2zciA1 LYS 334 HG2 0.12 -0.03 0.05 -0.04 1.46 1.56 2zciA1 LYS 334 HG3 0.26 -0.10 0.04 -0.04 1.46 1.62 2zciA1 LYS 334 HD2 0.14 -0.03 -0.04 -0.04 1.69 1.72 2zciA1 LYS 334 HD3 0.06 -0.02 -0.08 -0.04 1.68 1.60 2zciA1 LYS 334 HE2 0.07 0.01 0.00 -0.04 2.99 3.03 2zciA1 LYS 334 HE3 0.13 -0.05 0.00 -0.04 2.99 3.03 2zciA1 THR 335 H -0.06 0.70 -0.11 -0.55 8.28 8.26 2zciA1 THR 335 HA 0.00 0.14 0.51 -0.75 4.39 4.28 2zciA1 THR 335 HB -0.10 0.12 0.07 -0.04 4.32 4.36 2zciA1 THR 335 HG23 0.10 -0.04 -0.15 -0.04 1.22 1.08 2zciA1 MET 336 H -0.07 0.26 -0.53 -0.55 8.47 7.59 2zciA1 MET 336 HA -0.02 0.17 0.46 -0.75 4.52 4.38 2zciA1 MET 336 HB2 -0.04 0.10 0.04 -0.04 2.15 2.22 2zciA1 MET 336 HB3 0.11 -0.10 -0.01 -0.04 2.03 1.99 2zciA1 MET 336 HG2 -0.16 -0.01 -0.15 -0.04 2.63 2.26 2zciA1 MET 336 HG3 -0.31 0.07 -0.15 -0.04 2.56 2.12 2zciA1 MET 336 HE3 -0.58 -0.01 -0.25 -0.04 2.10 1.23 2zciA1 GLU 337 H 0.02 0.23 -0.14 -0.55 8.60 8.17 2zciA1 GLU 337 HA 0.07 -0.02 0.37 -0.75 4.29 3.95 2zciA1 GLU 337 HB2 0.06 0.16 0.21 -0.04 2.09 2.47 2zciA1 GLU 337 HB3 0.06 -0.05 -0.01 -0.04 1.99 1.95 2zciA1 GLU 337 HG2 0.13 -0.06 0.04 -0.04 2.34 2.41 2zciA1 GLU 337 HG3 0.13 0.14 -0.03 -0.04 2.34 2.53 2zciA1 PRO 338 HA 0.03 0.06 0.75 -0.51 4.44 4.76 2zciA1 PRO 338 HB2 0.01 0.09 -0.14 -0.04 2.28 2.20 2zciA1 PRO 338 HB3 0.01 -0.09 0.07 -0.04 2.02 1.97 2zciA1 PRO 338 HG2 0.02 0.15 0.04 -0.04 2.03 2.19 2zciA1 PRO 338 HG3 0.02 -0.08 0.02 -0.04 2.03 1.95 2zciA1 PRO 338 HD2 0.02 0.31 -0.37 -0.04 3.68 3.59 2zciA1 PRO 338 HD3 0.03 0.10 0.06 -0.04 3.65 3.80 2zciA1 GLY 339 H 0.05 0.45 -0.30 -0.55 8.43 8.09 2zciA1 GLY 339 HA2 0.10 -0.07 0.24 -0.51 4.01 3.77 2zciA1 GLY 339 HA3 0.06 0.22 0.67 -0.51 4.01 4.46 2zciA1 ASN 340 H 0.09 0.46 0.02 -0.55 8.53 8.55 2zciA1 ASN 340 HA 0.09 0.13 0.29 -0.75 4.76 4.52 2zciA1 ASN 340 HB2 -0.07 0.09 0.07 -0.04 2.88 2.93 2zciA1 ASN 340 HB3 -0.19 -0.10 0.16 -0.04 2.79 2.62 2zciA1 ASN 340 HD21 -0.02 -0.01 -0.16 -0.04 7.03 6.80 2zciA1 ASN 340 HD22 -0.03 0.07 -0.32 -0.04 7.74 7.42 2zciA1 THR 341 H 0.11 0.05 -0.33 -0.55 8.28 7.56 2zciA1 THR 341 HA -0.02 0.35 0.88 -0.75 4.39 4.85 2zciA1 THR 341 HB -0.23 -0.10 -0.02 -0.04 4.32 3.93 2zciA1 THR 341 HG23 -0.79 -0.01 -0.18 -0.04 1.22 0.20 2zciA1 LEU 342 H 0.04 0.53 0.30 -0.55 8.37 8.70 2zciA1 LEU 342 HA 0.33 0.09 0.79 -0.75 4.35 4.79 2zciA1 LEU 342 HB2 0.36 0.05 -0.01 -0.04 1.64 1.99 2zciA1 LEU 342 HB3 0.16 -0.05 0.18 -0.04 1.64 1.89 2zciA1 LEU 342 HG 0.25 0.02 -0.17 -0.04 1.64 1.69 2zciA1 LEU 342 HD13 0.18 0.01 -0.02 -0.04 0.93 1.06 2zciA1 LEU 342 HD23 -0.11 -0.02 -0.14 -0.04 0.89 0.58 2zciA1 PHE 343 H 0.47 0.77 0.35 -0.55 8.34 9.39 2zciA1 PHE 343 HA 0.19 0.21 0.94 -0.75 4.62 5.21 2zciA1 PHE 343 HB2 0.21 0.03 0.19 -0.04 3.15 3.53 2zciA1 PHE 343 HB3 0.21 -0.05 0.07 -0.04 3.06 3.25 2zciA1 PHE 343 HD2 0.27 0.10 -0.07 -0.04 7.28 7.55 2zciA1 PHE 343 HE2 0.36 0.01 -0.11 -0.04 7.38 7.59 2zciA1 PHE 343 HZ 0.17 0.08 -0.09 -0.04 7.32 7.44 2zciA1 THR 344 H 0.23 0.72 0.32 -0.55 8.28 9.00 2zciA1 THR 344 HA 0.17 0.35 0.90 -0.75 4.39 5.05 2zciA1 THR 344 HB 0.11 -0.05 0.15 -0.04 4.32 4.49 2zciA1 THR 344 HG23 0.02 -0.02 -0.07 -0.04 1.22 1.11 2zciA1 ASN 345 H 0.13 0.71 0.34 -0.55 8.53 9.16 2zciA1 ASN 345 HA 0.25 0.14 0.47 -0.75 4.76 4.86 2zciA1 ASN 345 HB2 -0.15 0.11 -0.22 -0.04 2.88 2.58 2zciA1 ASN 345 HB3 -0.43 -0.12 0.23 -0.04 2.79 2.43 2zciA1 ASN 345 HD21 -0.25 0.01 -0.08 -0.04 7.03 6.67 2zciA1 ASN 345 HD22 -0.41 0.04 -0.08 -0.04 7.74 7.24 2zciA1 VAL 346 H 0.17 0.05 -0.26 -0.55 8.24 7.65 2zciA1 VAL 346 HA 0.15 0.05 1.04 -0.75 4.13 4.62 2zciA1 VAL 346 HB 0.35 0.03 0.13 -0.04 2.12 2.58 2zciA1 VAL 346 HG13 0.25 0.01 -0.13 -0.04 0.97 1.06 2zciA1 VAL 346 HG23 0.08 0.06 -0.09 -0.04 0.95 0.96 2zciA1 ALA 347 H 0.16 0.46 0.28 -0.55 8.40 8.76 2zciA1 ALA 347 HA 0.10 0.22 0.53 -0.75 4.34 4.43 2zciA1 ALA 347 HB3 0.09 -0.05 -0.10 -0.04 1.41 1.31 2zciA1 LEU 348 H -0.02 0.46 0.25 -0.55 8.37 8.52 2zciA1 LEU 348 HA -0.01 0.22 0.91 -0.75 4.35 4.71 2zciA1 LEU 348 HB2 0.04 0.05 -0.28 -0.04 1.64 1.40 2zciA1 LEU 348 HB3 0.01 -0.11 0.10 -0.04 1.64 1.60 2zciA1 LEU 348 HG 0.04 0.00 -0.11 -0.04 1.64 1.53 2zciA1 LEU 348 HD13 0.03 -0.00 -0.10 -0.04 0.93 0.82 2zciA1 LEU 348 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 2zciA1 THR 349 H -0.03 0.59 0.12 -0.55 8.28 8.41 2zciA1 THR 349 HA -0.06 0.15 0.48 -0.75 4.39 4.21 2zciA1 THR 349 HB -0.03 -0.02 0.11 -0.04 4.32 4.33 2zciA1 THR 349 HG23 -0.04 0.06 -0.25 -0.04 1.22 0.95 2zciA1 ASP 350 H 0.02 0.20 0.16 -0.55 8.40 8.23 2zciA1 ASP 350 HA 0.08 0.16 0.40 -0.75 4.63 4.51 2zciA1 ASP 350 HB2 0.04 -0.05 0.08 -0.04 2.71 2.74 2zciA1 ASP 350 HB3 0.05 0.04 0.00 -0.04 2.70 2.74 2zciA1 ASP 351 H 0.01 -0.00 -0.18 -0.55 8.40 7.68 2zciA1 ASP 351 HA 0.01 0.27 0.82 -0.75 4.63 4.98 2zciA1 ASP 351 HB2 0.00 0.04 0.14 -0.04 2.71 2.85 2zciA1 ASP 351 HB3 0.00 -0.00 0.02 -0.04 2.70 2.68 2zciA1 GLY 352 H 0.01 0.41 -0.32 -0.55 8.43 7.99 2zciA1 GLY 352 HA2 0.01 0.13 0.27 -0.51 4.01 3.91 2zciA1 GLY 352 HA3 0.00 0.12 0.60 -0.51 4.01 4.22 2zciA1 ASP 353 H -0.02 -0.07 -0.08 -0.55 8.40 7.69 2zciA1 ASP 353 HA -0.05 0.19 0.77 -0.75 4.63 4.79 2zciA1 ASP 353 HB2 -0.03 -0.03 -0.01 -0.04 2.71 2.59 2zciA1 ASP 353 HB3 -0.05 0.02 0.01 -0.04 2.70 2.64 2zciA1 ILE 354 H -0.19 0.17 0.12 -0.55 8.25 7.80 2zciA1 ILE 354 HA -0.09 0.28 0.90 -0.75 4.18 4.51 2zciA1 ILE 354 HB -0.24 -0.03 0.05 -0.04 1.89 1.63 2zciA1 ILE 354 HG12 -1.49 0.04 -0.09 -0.04 1.49 -0.09 2zciA1 ILE 354 HG13 -0.44 -0.07 -0.02 -0.04 1.21 0.64 2zciA1 ILE 354 HG23 -0.22 0.07 -0.13 -0.04 0.93 0.61 2zciA1 ILE 354 HD13 -0.51 -0.00 -0.14 -0.04 0.88 0.18 2zciA1 TRP 355 H 0.00 0.51 0.11 -0.55 7.97 8.05 2zciA1 TRP 355 HA -0.61 0.12 0.50 -0.75 4.62 3.88 2zciA1 TRP 355 HB2 -0.25 0.06 -0.31 -0.04 3.23 2.69 2zciA1 TRP 355 HB3 -0.25 -0.08 -0.24 -0.04 3.23 2.62 2zciA1 TRP 355 HD1 -0.25 -0.01 0.02 -0.04 7.22 6.94 2zciA1 TRP 355 HE1 -0.13 0.56 -0.10 -0.04 10.20 10.50 2zciA1 TRP 355 HE3 -0.38 -0.06 -0.38 -0.04 7.59 6.73 2zciA1 TRP 355 HZ2 -0.02 -0.01 -0.12 -0.04 7.44 7.25 2zciA1 TRP 355 HZ3 -0.53 -0.12 -0.11 -0.04 7.13 6.32 2zciA1 TRP 355 HH2 -0.03 -0.01 -0.08 -0.04 7.19 7.04 2zciA1 TRP 356 H -1.57 0.36 0.14 -0.55 7.97 6.36 2zciA1 TRP 356 HA -0.41 -0.00 0.44 -0.75 4.62 3.89 2zciA1 TRP 356 HB2 -0.32 0.06 -0.02 -0.04 3.23 2.92 2zciA1 TRP 356 HB3 -0.22 0.05 -0.02 -0.04 3.23 3.00 2zciA1 TRP 356 HD1 -0.41 0.12 -0.36 -0.04 7.22 6.53 2zciA1 TRP 356 HE1 -0.20 0.71 0.09 -0.04 10.20 10.75 2zciA1 TRP 356 HE3 -0.10 -0.02 -0.28 -0.04 7.59 7.15 2zciA1 TRP 356 HZ2 -0.12 -0.00 -0.14 -0.04 7.44 7.13 2zciA1 TRP 356 HZ3 0.11 0.02 -0.16 -0.04 7.13 7.06 2zciA1 TRP 356 HH2 0.10 0.05 -0.15 -0.04 7.19 7.15 2zciA1 GLU 357 H -0.33 0.08 0.12 -0.55 8.60 7.93 2zciA1 GLU 357 HA -0.57 0.07 0.42 -0.75 4.29 3.46 2zciA1 GLU 357 HB2 -0.06 0.02 0.11 -0.04 2.09 2.12 2zciA1 GLU 357 HB3 -0.00 0.08 -0.02 -0.04 1.99 2.00 2zciA1 GLU 357 HG2 0.16 0.09 0.02 -0.04 2.34 2.56 2zciA1 GLU 357 HG3 0.32 0.06 0.04 -0.04 2.34 2.72 2zciA1 GLY 358 H -0.05 0.15 0.14 -0.55 8.43 8.13 2zciA1 GLY 358 HA2 0.00 0.05 0.29 -0.51 4.01 3.85 2zciA1 GLY 358 HA3 -0.00 0.01 0.54 -0.51 4.01 4.05 2zciA1 MET 359 H -0.47 0.36 -0.32 -0.55 8.47 7.49 2zciA1 MET 359 HA -0.14 0.19 0.61 -0.75 4.52 4.42 2zciA1 MET 359 HB2 -1.24 0.21 0.10 -0.04 2.15 1.18 2zciA1 MET 359 HB3 -0.34 -0.11 -0.13 -0.04 2.03 1.41 2zciA1 MET 359 HG2 -0.68 0.04 0.12 -0.04 2.63 2.07 2zciA1 MET 359 HG3 -2.20 0.02 0.04 -0.04 2.56 0.38 2zciA1 MET 359 HE3 -1.57 0.03 -0.11 -0.04 2.10 0.40 2zciA1 ASP 360 H -0.04 0.11 0.17 -0.55 8.40 8.09 2zciA1 ASP 360 HA 0.03 0.11 0.16 -0.75 4.63 4.18 2zciA1 ASP 360 HB2 0.05 0.08 -0.01 -0.04 2.71 2.79 2zciA1 ASP 360 HB3 0.04 0.03 0.10 -0.04 2.70 2.83 2zciA1 GLY 361 H 0.02 -0.02 -0.16 -0.55 8.43 7.73 2zciA1 GLY 361 HA2 0.07 0.08 0.48 -0.51 4.01 4.13 2zciA1 GLY 361 HA3 0.12 -0.00 0.30 -0.51 4.01 3.92 2zciA1 ASP 362 H 0.12 0.63 0.02 -0.55 8.40 8.62 2zciA1 ASP 362 HA 0.29 0.02 0.31 -0.75 4.63 4.50 2zciA1 ASP 362 HB2 0.11 -0.08 0.10 -0.04 2.71 2.79 2zciA1 ASP 362 HB3 0.09 0.10 0.14 -0.04 2.70 2.99 2zciA1 ALA 363 H 0.14 0.04 0.07 -0.55 8.40 8.10 2zciA1 ALA 363 HA -0.05 0.04 0.26 -0.75 4.34 3.83 2zciA1 ALA 363 HB3 0.04 0.00 0.06 -0.04 1.41 1.47 2zciA1 PRO 364 HA -0.12 0.07 0.72 -0.51 4.44 4.60 2zciA1 PRO 364 HB2 -0.32 -0.02 -0.18 -0.04 2.28 1.72 2zciA1 PRO 364 HB3 -0.20 -0.02 0.07 -0.04 2.02 1.82 2zciA1 PRO 364 HG2 -1.01 -0.05 -0.07 -0.04 2.03 0.86 2zciA1 PRO 364 HG3 -0.39 0.12 -0.01 -0.04 2.03 1.72 2zciA1 PRO 364 HD2 -1.33 -0.03 -0.02 -0.04 3.68 2.26 2zciA1 PRO 364 HD3 -0.81 0.26 -0.23 -0.04 3.65 2.83 2zciA1 ALA 365 H -0.03 0.09 0.16 -0.55 8.40 8.08 2zciA1 ALA 365 HA -0.02 0.09 0.44 -0.75 4.34 4.09 2zciA1 ALA 365 HB3 -0.00 -0.01 0.07 -0.04 1.41 1.43 2zciA1 HIS 366 H 0.06 0.08 -0.10 -0.55 8.41 7.91 2zciA1 HIS 366 HA 0.09 0.35 0.63 -0.75 4.63 4.94 2zciA1 HIS 366 HB2 -0.00 0.04 0.00 -0.04 3.26 3.27 2zciA1 HIS 366 HB3 -0.00 -0.11 0.04 -0.04 3.20 3.08 2zciA1 HIS 366 HD2 0.03 -0.04 0.02 -0.04 6.97 6.94 2zciA1 HIS 366 HE1 0.02 -0.01 -0.20 -0.04 7.75 7.52 2zciA1 LEU 367 H -0.21 0.61 0.29 -0.55 8.37 8.52 2zciA1 LEU 367 HA -0.26 0.13 0.66 -0.75 4.35 4.12 2zciA1 LEU 367 HB2 -0.15 -0.05 -0.12 -0.04 1.64 1.28 2zciA1 LEU 367 HB3 -0.20 0.07 -0.04 -0.04 1.64 1.43 2zciA1 LEU 367 HG -0.29 0.00 -0.46 -0.04 1.64 0.85 2zciA1 LEU 367 HD13 -1.22 -0.01 -0.21 -0.04 0.93 -0.56 2zciA1 LEU 367 HD23 -0.25 0.02 -0.13 -0.04 0.89 0.49 2zciA1 ILE 368 H -0.12 0.70 0.27 -0.55 8.25 8.54 2zciA1 ILE 368 HA -0.02 0.13 0.44 -0.75 4.18 3.97 2zciA1 ILE 368 HB 0.00 0.01 0.11 -0.04 1.89 1.97 2zciA1 ILE 368 HG12 0.07 0.04 -0.07 -0.04 1.49 1.48 2zciA1 ILE 368 HG13 0.09 -0.04 -0.07 -0.04 1.21 1.15 2zciA1 ILE 368 HG23 0.02 0.05 -0.15 -0.04 0.93 0.80 2zciA1 ILE 368 HD13 0.06 -0.00 -0.15 -0.04 0.88 0.75 2zciA1 ASP 369 H 0.02 0.75 0.15 -0.55 8.40 8.78 2zciA1 ASP 369 HA 0.03 0.21 0.88 -0.75 4.63 4.99 2zciA1 ASP 369 HB2 0.10 0.13 0.22 -0.04 2.71 3.11 2zciA1 ASP 369 HB3 0.13 -0.01 0.00 -0.04 2.70 2.78 2zciA1 TRP 370 H 0.34 0.43 0.16 -0.55 7.97 8.34 2zciA1 TRP 370 HA 0.00 0.18 0.13 -0.75 4.62 4.18 2zciA1 TRP 370 HB2 -0.01 -0.15 0.19 -0.04 3.23 3.22 2zciA1 TRP 370 HB3 0.03 0.19 -0.05 -0.04 3.23 3.36 2zciA1 TRP 370 HD1 0.04 0.25 -0.35 -0.04 7.22 7.12 2zciA1 TRP 370 HE1 0.09 0.03 -0.16 -0.04 10.20 10.12 2zciA1 TRP 370 HE3 -0.12 -0.02 -0.04 -0.04 7.59 7.36 2zciA1 TRP 370 HZ2 0.15 -0.02 -0.03 -0.04 7.44 7.50 2zciA1 TRP 370 HZ3 -0.22 0.05 -0.23 -0.04 7.13 6.69 2zciA1 TRP 370 HH2 -0.07 -0.02 -0.00 -0.04 7.19 7.06 2zciA1 MET 371 H -0.71 -0.09 -0.61 -0.55 8.47 6.51 2zciA1 MET 371 HA -0.54 0.30 0.87 -0.75 4.52 4.40 2zciA1 MET 371 HB2 -0.53 -0.09 -0.02 -0.04 2.15 1.48 2zciA1 MET 371 HB3 -0.47 0.02 0.10 -0.04 2.03 1.65 2zciA1 MET 371 HG2 -1.70 0.10 -0.03 -0.04 2.63 0.96 2zciA1 MET 371 HG3 -2.62 -0.07 -0.11 -0.04 2.56 -0.29 2zciA1 MET 371 HE3 -0.22 0.00 0.01 -0.04 2.10 1.86 2zciA1 GLY 372 H -0.13 0.57 -0.04 -0.55 8.43 8.28 2zciA1 GLY 372 HA2 -0.03 0.04 0.24 -0.51 4.01 3.75 2zciA1 GLY 372 HA3 -0.06 0.20 0.62 -0.51 4.01 4.26 2zciA1 ASN 373 H -0.10 -0.05 -0.16 -0.55 8.53 7.67 2zciA1 ASN 373 HA 0.01 0.24 0.97 -0.75 4.76 5.23 2zciA1 ASN 373 HB2 -0.01 -0.05 -0.07 -0.04 2.88 2.72 2zciA1 ASN 373 HB3 0.01 0.04 0.06 -0.04 2.79 2.86 2zciA1 ASN 373 HD21 -0.12 0.05 -0.09 -0.04 7.03 6.84 2zciA1 ASN 373 HD22 -0.09 -0.05 -0.08 -0.04 7.74 7.48 2zciA1 ASP 374 H 0.07 0.13 0.19 -0.55 8.40 8.24 2zciA1 ASP 374 HA 0.14 0.22 0.69 -0.75 4.63 4.93 2zciA1 ASP 374 HB2 0.12 -0.05 0.14 -0.04 2.71 2.88 2zciA1 ASP 374 HB3 0.34 0.04 0.07 -0.04 2.70 3.10 2zciA1 TRP 375 H 0.09 0.68 0.37 -0.55 7.97 8.56 2zciA1 TRP 375 HA -0.02 0.09 0.82 -0.75 4.62 4.77 2zciA1 TRP 375 HB2 -0.04 0.02 -0.19 -0.04 3.23 2.98 2zciA1 TRP 375 HB3 -0.13 -0.07 -0.06 -0.04 3.23 2.93 2zciA1 TRP 375 HD1 0.05 0.00 -0.18 -0.04 7.22 7.05 2zciA1 TRP 375 HE1 0.10 0.47 -0.02 -0.04 10.20 10.71 2zciA1 TRP 375 HE3 -0.22 -0.09 -0.55 -0.04 7.59 6.69 2zciA1 TRP 375 HZ2 0.10 0.02 -0.11 -0.04 7.44 7.40 2zciA1 TRP 375 HZ3 -0.40 0.19 -0.26 -0.04 7.13 6.62 2zciA1 TRP 375 HH2 -0.15 -0.02 -0.10 -0.04 7.19 6.88 2zciA1 THR 376 H -0.72 0.13 0.23 -0.55 8.28 7.37 2zciA1 THR 376 HA -0.22 0.43 0.76 -0.75 4.39 4.61 2zciA1 THR 376 HB -0.15 0.12 0.05 -0.04 4.32 4.30 2zciA1 THR 376 HG23 -0.29 -0.04 0.06 -0.04 1.22 0.91 2zciA1 PRO 377 HA -1.05 0.15 0.73 -0.51 4.44 3.76 2zciA1 PRO 377 HB2 -0.12 0.01 0.03 -0.04 2.28 2.16 2zciA1 PRO 377 HB3 0.00 -0.02 0.15 -0.04 2.02 2.11 2zciA1 PRO 377 HG2 -0.04 0.03 -0.04 -0.04 2.03 1.94 2zciA1 PRO 377 HG3 0.09 0.03 -0.02 -0.04 2.03 2.09 2zciA1 PRO 377 HD2 -0.18 0.04 0.18 -0.04 3.68 3.68 2zciA1 PRO 377 HD3 -0.10 0.32 0.16 -0.04 3.65 4.00 2zciA1 GLU 378 H -0.43 -0.06 -0.54 -0.55 8.60 7.02 2zciA1 GLU 378 HA -0.17 0.15 0.74 -0.75 4.29 4.26 2zciA1 GLU 378 HB2 -0.21 -0.06 0.02 -0.04 2.09 1.80 2zciA1 GLU 378 HB3 -0.16 -0.01 -0.18 -0.04 1.99 1.60 2zciA1 GLU 378 HG2 -0.09 -0.00 0.02 -0.04 2.34 2.23 2zciA1 GLU 378 HG3 -0.11 0.03 0.01 -0.04 2.34 2.23 2zciA1 SER 379 H -0.67 0.32 0.06 -0.55 8.46 7.62 2zciA1 SER 379 HA -0.17 0.00 0.36 -0.75 4.49 3.92 2zciA1 SER 379 HB2 -0.10 0.15 -0.01 -0.04 3.95 3.95 2zciA1 SER 379 HB3 -0.14 -0.03 0.17 -0.04 3.93 3.88 2zciA1 ASP 380 H 0.00 0.09 0.19 -0.55 8.40 8.14 2zciA1 ASP 380 HA 0.05 0.28 0.79 -0.75 4.63 4.99 2zciA1 ASP 380 HB2 0.03 -0.05 0.09 -0.04 2.71 2.73 2zciA1 ASP 380 HB3 0.04 -0.01 0.13 -0.04 2.70 2.83 2zciA1 GLU 381 H 0.13 -0.03 -0.04 -0.55 8.60 8.11 2zciA1 GLU 381 HA 0.18 0.11 0.64 -0.75 4.29 4.46 2zciA1 GLU 381 HB2 0.21 -0.06 0.06 -0.04 2.09 2.26 2zciA1 GLU 381 HB3 0.23 0.12 -0.09 -0.04 1.99 2.22 2zciA1 GLU 381 HG2 0.12 0.07 -0.03 -0.04 2.34 2.46 2zciA1 GLU 381 HG3 0.09 -0.14 -0.06 -0.04 2.34 2.19 2zciA1 ASN 382 H 0.22 0.13 0.10 -0.55 8.53 8.43 2zciA1 ASN 382 HA 0.29 -0.00 0.39 -0.75 4.76 4.69 2zciA1 ASN 382 HB2 0.13 -0.02 0.11 -0.04 2.88 3.06 2zciA1 ASN 382 HB3 0.09 0.24 0.03 -0.04 2.79 3.11 2zciA1 ASN 382 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2zciA1 ASN 382 HD22 -0.04 0.09 0.03 -0.04 7.74 7.78 2zciA1 ALA 383 H -0.10 0.09 0.13 -0.55 8.40 7.97 2zciA1 ALA 383 HA -0.12 0.05 0.59 -0.75 4.34 4.11 2zciA1 ALA 383 HB3 -0.84 -0.00 -0.01 -0.04 1.41 0.51 2zciA1 ALA 384 H 0.07 0.00 0.02 -0.55 8.40 7.95 2zciA1 ALA 384 HA 0.15 0.26 0.85 -0.75 4.34 4.84 2zciA1 ALA 384 HB3 0.05 -0.01 0.19 -0.04 1.41 1.60 2zciA1 HIS 385 H -0.41 0.69 0.37 -0.55 8.41 8.51 2zciA1 HIS 385 HA -0.58 0.07 0.37 -0.75 4.63 3.74 2zciA1 HIS 385 HB2 -2.47 0.04 0.15 -0.04 3.26 0.95 2zciA1 HIS 385 HB3 -0.79 -0.02 0.13 -0.04 3.20 2.48 2zciA1 HIS 385 HD2 -0.66 0.00 0.02 -0.04 6.97 6.30 2zciA1 HIS 385 HE1 -0.23 0.03 -0.03 -0.04 7.75 7.47 2zciA1 PRO 386 HA -0.20 0.11 0.57 -0.51 4.44 4.41 2zciA1 PRO 386 HB2 -0.29 0.03 0.00 -0.04 2.28 1.98 2zciA1 PRO 386 HB3 -0.17 0.04 0.11 -0.04 2.02 1.96 2zciA1 PRO 386 HG2 -0.26 0.04 0.10 -0.04 2.03 1.87 2zciA1 PRO 386 HG3 -0.18 0.03 0.11 -0.04 2.03 1.95 2zciA1 PRO 386 HD2 -1.42 0.09 0.21 -0.04 3.68 2.52 2zciA1 PRO 386 HD3 -0.52 0.13 0.27 -0.04 3.65 3.48 2zciA1 ASN 387 H 0.03 0.09 -0.18 -0.55 8.53 7.92 2zciA1 ASN 387 HA -0.08 0.17 0.83 -0.75 4.76 4.93 2zciA1 ASN 387 HB2 0.05 -0.06 0.04 -0.04 2.88 2.87 2zciA1 ASN 387 HB3 0.10 0.07 0.01 -0.04 2.79 2.93 2zciA1 ASN 387 HD21 0.24 -0.11 0.03 -0.04 7.03 7.15 2zciA1 ASN 387 HD22 0.10 0.21 0.06 -0.04 7.74 8.07 2zciA1 SER 388 H -0.12 0.28 -0.50 -0.55 8.46 7.57 2zciA1 SER 388 HA -0.10 0.07 0.50 -0.75 4.49 4.21 2zciA1 SER 388 HB2 -0.05 0.01 -0.07 -0.04 3.95 3.80 2zciA1 SER 388 HB3 -0.13 -0.01 0.04 -0.04 3.93 3.79 2zciA1 ARG 389 H -0.09 0.45 0.37 -0.55 8.46 8.63 2zciA1 ARG 389 HA -0.50 0.37 0.89 -0.75 4.34 4.36 2zciA1 ARG 389 HB2 -0.24 -0.12 0.04 -0.04 1.90 1.54 2zciA1 ARG 389 HB3 -0.86 0.07 -0.09 -0.04 1.80 0.87 2zciA1 ARG 389 HG2 -0.28 0.15 -0.16 -0.04 1.67 1.33 2zciA1 ARG 389 HG3 -0.66 -0.13 -0.08 -0.04 1.67 0.77 2zciA1 ARG 389 HD2 -1.43 0.01 -0.31 -0.04 3.22 1.45 2zciA1 ARG 389 HD3 -0.63 0.14 -0.49 -0.04 3.22 2.21 2zciA1 TYR 390 H -0.83 0.45 0.21 -0.55 8.29 7.57 2zciA1 TYR 390 HA -0.17 0.17 0.59 -0.75 4.56 4.38 2zciA1 TYR 390 HB2 -0.38 0.06 -0.11 -0.04 3.06 2.58 2zciA1 TYR 390 HB3 -0.06 -0.03 -0.02 -0.04 2.98 2.83 2zciA1 TYR 390 HD2 -0.26 0.02 -0.40 -0.04 7.15 6.46 2zciA1 TYR 390 HE2 -0.20 0.04 -0.23 -0.04 6.85 6.41 2zciA1 CYS 391 H 0.01 0.44 0.22 -0.55 8.50 8.62 2zciA1 CYS 391 HA 0.18 0.50 0.99 -0.75 4.58 5.50 2zciA1 CYS 391 HB2 0.28 -0.05 -0.07 -0.04 2.97 3.08 2zciA1 CYS 391 HB3 0.12 -0.06 0.20 -0.04 2.97 3.20 2zciA1 VAL 392 H 0.14 0.56 0.26 -0.55 8.24 8.64 2zciA1 VAL 392 HA 0.00 0.22 0.74 -0.75 4.13 4.35 2zciA1 VAL 392 HB 0.02 -0.03 -0.37 -0.04 2.12 1.70 2zciA1 VAL 392 HG13 0.23 -0.02 -0.20 -0.04 0.97 0.93 2zciA1 VAL 392 HG23 0.00 0.08 -0.12 -0.04 0.95 0.87 2zciA1 ALA 393 H -0.07 0.22 0.18 -0.55 8.40 8.18 2zciA1 ALA 393 HA -0.15 0.26 0.79 -0.75 4.34 4.49 2zciA1 ALA 393 HB3 -0.09 0.01 0.14 -0.04 1.41 1.43 2zciA1 ILE 394 H -0.41 0.47 0.25 -0.55 8.25 8.02 2zciA1 ILE 394 HA -0.42 0.02 0.47 -0.75 4.18 3.49 2zciA1 ILE 394 HB -0.98 0.05 -0.05 -0.04 1.89 0.87 2zciA1 ILE 394 HG12 -2.00 -0.08 -0.19 -0.04 1.49 -0.82 2zciA1 ILE 394 HG13 -0.91 -0.04 -0.38 -0.04 1.21 -0.16 2zciA1 ILE 394 HG23 -0.85 0.02 -0.19 -0.04 0.93 -0.13 2zciA1 ILE 394 HD13 -0.57 0.05 -0.19 -0.04 0.88 0.13 2zciA1 ASP 395 H -0.14 0.16 -0.13 -0.55 8.40 7.73 2zciA1 ASP 395 HA 0.14 0.05 0.34 -0.75 4.63 4.41 2zciA1 ASP 395 HB2 -0.02 -0.07 -0.05 -0.04 2.71 2.53 2zciA1 ASP 395 HB3 0.01 0.05 -0.39 -0.04 2.70 2.34 2zciA1 GLN 396 H -0.02 0.20 -0.98 -0.55 8.47 7.12 2zciA1 GLN 396 HA 0.01 0.07 0.42 -0.75 4.36 4.11 2zciA1 GLN 396 HB2 -0.02 -0.14 -0.05 -0.04 2.15 1.90 2zciA1 GLN 396 HB3 0.01 0.14 -0.01 -0.04 2.02 2.11 2zciA1 GLN 396 HG2 0.01 0.14 0.03 -0.04 2.40 2.54 2zciA1 GLN 396 HG3 0.00 -0.10 0.04 -0.04 2.39 2.29 2zciA1 GLN 396 HE21 -0.00 0.25 0.04 -0.04 6.97 7.21 2zciA1 GLN 396 HE22 0.00 0.72 0.15 -0.04 7.69 8.53 2zciA1 SER 397 H 0.05 0.27 -0.03 -0.55 8.46 8.20 2zciA1 SER 397 HA 0.04 0.09 0.63 -0.75 4.49 4.50 2zciA1 SER 397 HB2 0.21 0.01 0.12 -0.04 3.95 4.25 2zciA1 SER 397 HB3 0.10 0.04 0.07 -0.04 3.93 4.09 2zciA1 PRO 398 HA 0.03 0.16 0.65 -0.51 4.44 4.77 2zciA1 PRO 398 HB2 0.03 -0.01 0.05 -0.04 2.28 2.30 2zciA1 PRO 398 HB3 0.02 0.05 0.11 -0.04 2.02 2.16 2zciA1 PRO 398 HG2 0.01 -0.05 0.09 -0.04 2.03 2.04 2zciA1 PRO 398 HG3 0.02 0.01 0.01 -0.04 2.03 2.03 2zciA1 PRO 398 HD2 0.01 0.02 0.19 -0.04 3.68 3.85 2zciA1 PRO 398 HD3 0.02 0.37 0.01 -0.04 3.65 4.00 2zciA1 ALA 399 H 0.03 0.06 -0.18 -0.55 8.40 7.77 2zciA1 ALA 399 HA 0.04 0.20 0.51 -0.75 4.34 4.33 2zciA1 ALA 399 HB3 0.02 -0.00 0.09 -0.04 1.41 1.48 2zciA1 ALA 400 H 0.06 0.35 -0.57 -0.55 8.40 7.69 2zciA1 ALA 400 HA 0.08 0.01 0.40 -0.75 4.34 4.08 2zciA1 ALA 400 HB3 0.06 0.03 -0.04 -0.04 1.41 1.42 2zciA1 ALA 401 H 0.13 0.80 0.27 -0.55 8.40 9.05 2zciA1 ALA 401 HA 0.11 0.12 0.41 -0.75 4.34 4.23 2zciA1 ALA 401 HB3 0.15 -0.03 -0.04 -0.04 1.41 1.45 2zciA1 PRO 402 HA 0.09 0.12 0.30 -0.51 4.44 4.44 2zciA1 PRO 402 HB2 0.01 -0.01 -0.02 -0.04 2.28 2.22 2zciA1 PRO 402 HB3 0.03 0.05 0.11 -0.04 2.02 2.17 2zciA1 PRO 402 HG2 0.04 -0.02 0.07 -0.04 2.03 2.08 2zciA1 PRO 402 HG3 0.03 0.05 0.08 -0.04 2.03 2.15 2zciA1 PRO 402 HD2 0.07 0.04 0.20 -0.04 3.68 3.95 2zciA1 PRO 402 HD3 0.07 0.27 0.20 -0.04 3.65 4.15 2zciA1 GLU 403 H 0.06 0.09 -0.44 -0.55 8.60 7.76 2zciA1 GLU 403 HA -0.07 0.08 0.42 -0.75 4.29 3.97 2zciA1 GLU 403 HB2 -0.06 0.02 0.10 -0.04 2.09 2.10 2zciA1 GLU 403 HB3 -0.01 -0.00 0.02 -0.04 1.99 1.96 2zciA1 GLU 403 HG2 0.05 0.05 -0.17 -0.04 2.34 2.23 2zciA1 GLU 403 HG3 -0.03 0.03 -0.07 -0.04 2.34 2.23 2zciA1 PHE 404 H 0.21 0.63 -0.31 -0.55 8.34 8.31 2zciA1 PHE 404 HA -0.03 0.00 0.40 -0.75 4.62 4.23 2zciA1 PHE 404 HB2 -0.02 0.12 0.23 -0.04 3.15 3.43 2zciA1 PHE 404 HB3 0.00 0.08 0.18 -0.04 3.06 3.29 2zciA1 PHE 404 HD2 -0.04 0.13 -0.08 -0.04 7.28 7.24 2zciA1 PHE 404 HE2 -0.07 0.02 -0.09 -0.04 7.38 7.20 2zciA1 PHE 404 HZ -0.07 -0.06 -0.04 -0.04 7.32 7.11 2zciA1 ASN 405 H -0.57 0.21 -0.41 -0.55 8.53 7.21 2zciA1 ASN 405 HA -0.49 0.21 0.88 -0.75 4.76 4.61 2zciA1 ASN 405 HB2 -0.58 0.12 0.05 -0.04 2.88 2.43 2zciA1 ASN 405 HB3 -0.28 -0.08 -0.01 -0.04 2.79 2.38 2zciA1 ASN 405 HD21 -0.24 -0.03 0.01 -0.04 7.03 6.74 2zciA1 ASN 405 HD22 -0.42 0.06 0.01 -0.04 7.74 7.35 2zciA1 ASP 406 H -0.17 0.67 -0.07 -0.55 8.40 8.28 2zciA1 ASP 406 HA -0.13 0.02 0.73 -0.75 4.63 4.50 2zciA1 ASP 406 HB2 -0.17 0.12 0.13 -0.04 2.71 2.76 2zciA1 ASP 406 HB3 -0.32 -0.15 0.03 -0.04 2.70 2.21 2zciA1 TRP 407 H -0.11 0.13 0.11 -0.55 7.97 7.56 2zciA1 TRP 407 HA -0.05 0.17 0.33 -0.75 4.62 4.31 2zciA1 TRP 407 HB2 -0.05 0.03 -0.01 -0.04 3.23 3.16 2zciA1 TRP 407 HB3 -0.06 -0.07 -0.14 -0.04 3.23 2.93 2zciA1 TRP 407 HD1 -0.05 -0.04 -0.05 -0.04 7.22 7.03 2zciA1 TRP 407 HE1 -0.04 -0.02 -0.02 -0.04 10.20 10.08 2zciA1 TRP 407 HE3 -0.06 0.04 -0.23 -0.04 7.59 7.29 2zciA1 TRP 407 HZ2 -0.04 -0.02 -0.02 -0.04 7.44 7.31 2zciA1 TRP 407 HZ3 -0.07 0.01 -0.05 -0.04 7.13 6.98 2zciA1 TRP 407 HH2 -0.06 -0.02 -0.02 -0.04 7.19 7.05 2zciA1 GLU 408 H -0.85 -0.02 -0.27 -0.55 8.60 6.92 2zciA1 GLU 408 HA -0.41 0.20 0.77 -0.75 4.29 4.09 2zciA1 GLU 408 HB2 -0.58 0.01 0.02 -0.04 2.09 1.50 2zciA1 GLU 408 HB3 -1.59 -0.02 0.00 -0.04 1.99 0.35 2zciA1 GLU 408 HG2 -0.49 0.12 -0.06 -0.04 2.34 1.87 2zciA1 GLU 408 HG3 -0.55 -0.01 -0.03 -0.04 2.34 1.70 2zciA1 GLY 409 H -0.20 0.06 -0.30 -0.55 8.43 7.44 2zciA1 GLY 409 HA2 -0.04 0.14 0.10 -0.51 4.01 3.70 2zciA1 GLY 409 HA3 0.04 0.09 0.17 -0.51 4.01 3.81 2zciA1 VAL 410 H -0.05 0.48 0.22 -0.55 8.24 8.34 2zciA1 VAL 410 HA -0.25 0.12 0.77 -0.75 4.13 4.02 2zciA1 VAL 410 HB -1.21 0.05 0.00 -0.04 2.12 0.92 2zciA1 VAL 410 HG13 -0.30 0.00 -0.13 -0.04 0.97 0.50 2zciA1 VAL 410 HG23 -0.16 0.04 -0.05 -0.04 0.95 0.75 2zciA1 LYS 411 H -0.39 0.12 0.03 -0.55 8.42 7.63 2zciA1 LYS 411 HA -1.03 0.16 0.75 -0.75 4.32 3.45 2zciA1 LYS 411 HB2 -0.89 -0.05 -0.00 -0.04 1.87 0.88 2zciA1 LYS 411 HB3 -0.27 -0.02 0.03 -0.04 1.79 1.50 2zciA1 LYS 411 HG2 -0.32 0.19 -0.12 -0.04 1.46 1.16 2zciA1 LYS 411 HG3 -0.67 -0.10 -0.19 -0.04 1.46 0.46 2zciA1 LYS 411 HD2 -0.05 -0.05 -0.08 -0.04 1.69 1.47 2zciA1 LYS 411 HD3 -0.10 -0.06 -0.08 -0.04 1.68 1.39 2zciA1 LYS 411 HE2 -0.04 0.09 -0.10 -0.04 2.99 2.90 2zciA1 LYS 411 HE3 -0.02 0.11 0.09 -0.04 2.99 3.12 2zciA1 ILE 412 H -0.21 0.78 0.38 -0.55 8.25 8.64 2zciA1 ILE 412 HA 0.05 0.06 0.64 -0.75 4.18 4.17 2zciA1 ILE 412 HB 0.03 0.05 0.08 -0.04 1.89 2.01 2zciA1 ILE 412 HG12 -0.02 0.09 -0.04 -0.04 1.49 1.47 2zciA1 ILE 412 HG13 0.06 -0.05 -0.15 -0.04 1.21 1.04 2zciA1 ILE 412 HG23 0.10 -0.05 -0.18 -0.04 0.93 0.76 2zciA1 ILE 412 HD13 0.05 -0.02 -0.29 -0.04 0.88 0.58 2zciA1 ASP 413 H 0.11 0.50 0.42 -0.55 8.40 8.89 2zciA1 ASP 413 HA 0.10 0.18 0.79 -0.75 4.63 4.94 2zciA1 ASP 413 HB2 0.19 0.01 0.15 -0.04 2.71 3.02 2zciA1 ASP 413 HB3 0.20 -0.01 0.07 -0.04 2.70 2.92 2zciA1 ALA 414 H 0.11 0.26 0.37 -0.55 8.40 8.60 2zciA1 ALA 414 HA 0.22 0.25 0.45 -0.75 4.34 4.51 2zciA1 ALA 414 HB3 0.13 0.01 0.04 -0.04 1.41 1.55 2zciA1 ILE 415 H 0.19 0.61 0.12 -0.55 8.25 8.62 2zciA1 ILE 415 HA 0.00 0.28 0.80 -0.75 4.18 4.51 2zciA1 ILE 415 HB -0.01 -0.03 -0.06 -0.04 1.89 1.74 2zciA1 ILE 415 HG12 0.10 -0.00 -0.12 -0.04 1.49 1.43 2zciA1 ILE 415 HG13 0.19 -0.03 -0.39 -0.04 1.21 0.94 2zciA1 ILE 415 HG23 -0.33 -0.01 -0.28 -0.04 0.93 0.27 2zciA1 ILE 415 HD13 0.30 0.00 -0.16 -0.04 0.88 0.99 2zciA1 LEU 416 H -0.14 0.56 0.32 -0.55 8.37 8.57 2zciA1 LEU 416 HA 0.05 0.17 0.85 -0.75 4.35 4.66 2zciA1 LEU 416 HB2 -0.09 0.02 0.05 -0.04 1.64 1.57 2zciA1 LEU 416 HB3 0.04 0.01 -0.19 -0.04 1.64 1.46 2zciA1 LEU 416 HG 0.09 -0.01 -0.17 -0.04 1.64 1.52 2zciA1 LEU 416 HD13 0.01 0.02 -0.31 -0.04 0.93 0.61 2zciA1 LEU 416 HD23 0.19 -0.01 -0.20 -0.04 0.89 0.84 2zciA1 PHE 417 H 0.11 0.71 0.44 -0.55 8.34 9.06 2zciA1 PHE 417 HA 0.01 0.24 0.76 -0.75 4.62 4.87 2zciA1 PHE 417 HB2 -0.04 0.08 0.18 -0.04 3.15 3.33 2zciA1 PHE 417 HB3 -0.04 0.00 0.06 -0.04 3.06 3.04 2zciA1 PHE 417 HD2 -0.08 0.08 0.02 -0.04 7.28 7.25 2zciA1 PHE 417 HE2 -0.19 0.02 -0.10 -0.04 7.38 7.07 2zciA1 PHE 417 HZ -0.89 0.01 -0.08 -0.04 7.32 6.32 2zciA1 GLY 418 H 0.38 0.54 0.29 -0.55 8.43 9.10 2zciA1 GLY 418 HA2 -0.00 0.25 0.52 -0.51 4.01 4.26 2zciA1 GLY 418 HA3 -0.03 -0.08 0.41 -0.51 4.01 3.80 2zciA1 GLY 419 H -0.08 0.32 0.27 -0.55 8.43 8.40 2zciA1 GLY 419 HA2 -0.05 0.10 0.70 -0.51 4.01 4.25 2zciA1 GLY 419 HA3 -0.08 0.28 0.41 -0.51 4.01 4.10 2zciA1 ARG 420 H -0.14 0.10 0.17 -0.55 8.46 8.04 2zciA1 ARG 420 HA -0.02 0.10 0.83 -0.75 4.34 4.50 2zciA1 ARG 420 HB2 -0.26 -0.16 0.26 -0.04 1.90 1.70 2zciA1 ARG 420 HB3 -0.35 0.05 0.03 -0.04 1.80 1.49 2zciA1 ARG 420 HG2 -2.16 0.03 -0.02 -0.04 1.67 -0.51 2zciA1 ARG 420 HG3 -0.55 -0.01 -0.06 -0.04 1.67 1.00 2zciA1 ARG 420 HD2 -0.31 -0.04 0.07 -0.04 3.22 2.91 2zciA1 ARG 420 HD3 -0.50 0.06 0.03 -0.04 3.22 2.77 2zciA1 ARG 421 H 0.05 0.23 0.07 -0.55 8.46 8.25 2zciA1 ARG 421 HA -0.09 0.15 0.90 -0.75 4.34 4.55 2zciA1 ARG 421 HB2 -0.07 0.04 0.12 -0.04 1.90 1.95 2zciA1 ARG 421 HB3 -0.12 0.08 0.05 -0.04 1.80 1.76 2zciA1 ARG 421 HG2 -0.12 -0.09 -0.41 -0.04 1.67 1.00 2zciA1 ARG 421 HG3 -0.15 0.01 -0.07 -0.04 1.67 1.42 2zciA1 ARG 421 HD2 -0.16 0.13 0.00 -0.04 3.22 3.15 2zciA1 ARG 421 HD3 -0.20 -0.05 -0.28 -0.04 3.22 2.65 2zciA1 ALA 422 H -0.07 0.17 0.05 -0.55 8.40 8.00 2zciA1 ALA 422 HA -0.03 0.27 0.47 -0.75 4.34 4.29 2zciA1 ALA 422 HB3 -0.08 -0.00 0.04 -0.04 1.41 1.32 2zciA1 ASP 423 H -0.09 0.09 -0.25 -0.55 8.40 7.60 2zciA1 ASP 423 HA -0.05 0.20 0.57 -0.75 4.63 4.60 2zciA1 ASP 423 HB2 -0.07 -0.11 0.14 -0.04 2.71 2.63 2zciA1 ASP 423 HB3 -0.06 0.10 -0.07 -0.04 2.70 2.62 2zciA1 THR 424 H -0.06 0.12 0.02 -0.55 8.28 7.82 2zciA1 THR 424 HA -0.08 -0.04 0.32 -0.75 4.39 3.84 2zciA1 THR 424 HB -0.42 0.16 -0.26 -0.04 4.32 3.76 2zciA1 THR 424 HG23 -1.31 -0.01 -0.25 -0.04 1.22 -0.38 2zciA1 VAL 425 H -0.09 0.56 0.25 -0.55 8.24 8.42 2zciA1 VAL 425 HA 0.24 0.08 0.38 -0.75 4.13 4.08 2zciA1 VAL 425 HB -0.05 -0.04 0.09 -0.04 2.12 2.08 2zciA1 VAL 425 HG13 0.03 0.04 -0.26 -0.04 0.97 0.73 2zciA1 VAL 425 HG23 -0.16 -0.02 -0.07 -0.04 0.95 0.67 2zciA1 PRO 426 HA -0.01 0.27 0.28 -0.51 4.44 4.47 2zciA1 PRO 426 HB2 -0.06 -0.08 -0.21 -0.04 2.28 1.90 2zciA1 PRO 426 HB3 -0.05 0.13 0.00 -0.04 2.02 2.07 2zciA1 PRO 426 HG2 0.01 -0.11 -0.06 -0.04 2.03 1.82 2zciA1 PRO 426 HG3 0.07 0.06 -0.16 -0.04 2.03 1.96 2zciA1 PRO 426 HD2 0.17 0.02 0.04 -0.04 3.68 3.87 2zciA1 PRO 426 HD3 0.41 0.21 0.28 -0.04 3.65 4.50 2zciA1 LEU 427 H -0.12 0.35 0.20 -0.55 8.37 8.25 2zciA1 LEU 427 HA -0.14 0.19 0.58 -0.75 4.35 4.22 2zciA1 LEU 427 HB2 -0.26 0.02 0.02 -0.04 1.64 1.38 2zciA1 LEU 427 HB3 -0.32 -0.06 0.02 -0.04 1.64 1.25 2zciA1 LEU 427 HG -0.52 -0.01 -0.24 -0.04 1.64 0.82 2zciA1 LEU 427 HD13 -0.91 -0.01 -0.01 -0.04 0.93 -0.03 2zciA1 LEU 427 HD23 -1.02 -0.02 -0.07 -0.04 0.89 -0.27 2zciA1 VAL 428 H -0.24 0.20 -0.08 -0.55 8.24 7.56 2zciA1 VAL 428 HA -0.08 0.29 0.54 -0.75 4.13 4.13 2zciA1 VAL 428 HB -0.10 0.03 -0.01 -0.04 2.12 2.00 2zciA1 VAL 428 HG13 -0.63 -0.05 -0.09 -0.04 0.97 0.16 2zciA1 VAL 428 HG23 0.23 0.01 -0.19 -0.04 0.95 0.96 2zciA1 THR 429 H 0.10 0.41 0.19 -0.55 8.28 8.43 2zciA1 THR 429 HA 0.04 0.18 0.62 -0.75 4.39 4.47 2zciA1 THR 429 HB -0.05 0.01 -0.13 -0.04 4.32 4.11 2zciA1 THR 429 HG23 -0.01 -0.01 -0.27 -0.04 1.22 0.88 2zciA1 GLN 430 H 0.25 0.72 0.18 -0.55 8.47 9.08 2zciA1 GLN 430 HA -0.44 0.18 1.12 -0.75 4.36 4.47 2zciA1 GLN 430 HB2 -0.61 -0.03 -0.01 -0.04 2.15 1.46 2zciA1 GLN 430 HB3 0.26 0.01 0.14 -0.04 2.02 2.40 2zciA1 GLN 430 HG2 -0.02 0.28 -0.08 -0.04 2.40 2.54 2zciA1 GLN 430 HG3 -0.70 -0.02 0.04 -0.04 2.39 1.67 2zciA1 GLN 430 HE21 0.03 0.08 -0.06 -0.04 6.97 6.97 2zciA1 GLN 430 HE22 -0.13 -0.05 -0.04 -0.04 7.69 7.43 2zciA1 THR 431 H -0.30 0.65 0.35 -0.55 8.28 8.43 2zciA1 THR 431 HA -0.24 0.15 0.67 -0.75 4.39 4.21 2zciA1 THR 431 HB -0.53 -0.20 0.04 -0.04 4.32 3.59 2zciA1 THR 431 HG23 -0.32 0.04 -0.14 -0.04 1.22 0.76 2zciA1 TYR 432 H 0.49 0.07 0.16 -0.55 8.29 8.46 2zciA1 TYR 432 HA 0.14 0.16 0.39 -0.75 4.56 4.50 2zciA1 TYR 432 HB2 0.12 -0.14 0.11 -0.04 3.06 3.10 2zciA1 TYR 432 HB3 0.06 0.02 -0.01 -0.04 2.98 3.01 2zciA1 TYR 432 HD2 -0.24 -0.02 -0.07 -0.04 7.15 6.78 2zciA1 TYR 432 HE2 -0.28 -0.02 -0.04 -0.04 6.85 6.47 2zciA1 ASP 433 H 0.24 0.12 0.12 -0.55 8.40 8.33 2zciA1 ASP 433 HA 0.21 0.29 0.38 -0.75 4.63 4.74 2zciA1 ASP 433 HB2 0.20 0.04 0.20 -0.04 2.71 3.10 2zciA1 ASP 433 HB3 0.18 0.32 -0.10 -0.04 2.70 3.06 2zciA1 TRP 434 H 0.39 0.30 0.14 -0.55 7.97 8.25 2zciA1 TRP 434 HA 0.15 0.13 0.36 -0.75 4.62 4.51 2zciA1 TRP 434 HB2 0.11 0.17 0.09 -0.04 3.23 3.56 2zciA1 TRP 434 HB3 0.11 -0.02 0.07 -0.04 3.23 3.36 2zciA1 TRP 434 HD1 0.16 -0.09 -0.18 -0.04 7.22 7.07 2zciA1 TRP 434 HE1 0.20 0.69 0.05 -0.04 10.20 11.10 2zciA1 TRP 434 HE3 0.12 0.14 -0.08 -0.04 7.59 7.73 2zciA1 TRP 434 HZ2 -0.51 -0.00 -0.06 -0.04 7.44 6.82 2zciA1 TRP 434 HZ3 0.07 0.07 -0.11 -0.04 7.13 7.12 2zciA1 TRP 434 HH2 -0.20 -0.00 -0.12 -0.04 7.19 6.83 2zciA1 GLU 435 H 0.27 0.09 -0.20 -0.55 8.60 8.21 2zciA1 GLU 435 HA 0.18 0.17 0.40 -0.75 4.29 4.28 2zciA1 GLU 435 HB2 0.22 0.07 0.02 -0.04 2.09 2.35 2zciA1 GLU 435 HB3 0.18 -0.01 0.04 -0.04 1.99 2.16 2zciA1 GLU 435 HG2 0.11 0.03 -0.21 -0.04 2.34 2.23 2zciA1 GLU 435 HG3 0.13 -0.03 -0.03 -0.04 2.34 2.36 2zciA1 HIS 436 H 0.21 0.02 -0.24 -0.55 8.41 7.85 2zciA1 HIS 436 HA -0.03 0.14 0.55 -0.75 4.63 4.53 2zciA1 HIS 436 HB2 0.03 0.03 0.08 -0.04 3.26 3.37 2zciA1 HIS 436 HB3 -0.02 -0.10 0.16 -0.04 3.20 3.20 2zciA1 HIS 436 HD2 -0.13 -0.04 0.05 -0.04 6.97 6.80 2zciA1 HIS 436 HE1 -0.78 0.34 0.16 -0.04 7.75 7.42 2zciA1 GLY 437 H -0.05 0.50 -0.00 -0.55 8.43 8.33 2zciA1 GLY 437 HA2 -0.23 0.06 0.42 -0.51 4.01 3.75 2zciA1 GLY 437 HA3 -0.16 0.13 0.26 -0.51 4.01 3.74 2zciA1 THR 438 H -0.22 0.44 -0.36 -0.55 8.28 7.58 2zciA1 THR 438 HA -0.52 0.04 0.39 -0.75 4.39 3.54 2zciA1 THR 438 HB -0.06 0.16 0.06 -0.04 4.32 4.44 2zciA1 THR 438 HG23 -0.13 -0.02 -0.11 -0.04 1.22 0.92 2zciA1 MET 439 H -0.08 0.35 -0.18 -0.55 8.47 8.01 2zciA1 MET 439 HA -0.13 0.01 0.59 -0.75 4.52 4.24 2zciA1 MET 439 HB2 0.01 -0.02 0.15 -0.04 2.15 2.25 2zciA1 MET 439 HB3 0.06 0.13 0.13 -0.04 2.03 2.31 2zciA1 MET 439 HG2 0.04 -0.03 -0.09 -0.04 2.63 2.50 2zciA1 MET 439 HG3 0.07 0.02 -0.00 -0.04 2.56 2.61 2zciA1 MET 439 HE3 0.14 0.02 -0.24 -0.04 2.10 1.97 2zciA1 VAL 440 H -0.23 0.35 -0.38 -0.55 8.24 7.42 2zciA1 VAL 440 HA -0.11 0.03 0.24 -0.75 4.13 3.54 2zciA1 VAL 440 HB -0.25 0.06 0.18 -0.04 2.12 2.06 2zciA1 VAL 440 HG13 -0.07 -0.01 -0.19 -0.04 0.97 0.65 2zciA1 VAL 440 HG23 -0.32 0.02 -0.07 -0.04 0.95 0.53 2zciA1 GLY 441 H -0.57 0.64 -0.04 -0.55 8.43 7.91 2zciA1 GLY 441 HA2 -1.12 0.03 0.59 -0.51 4.01 3.00 2zciA1 GLY 441 HA3 -1.52 0.05 0.32 -0.51 4.01 2.35 2zciA1 ALA 442 H -0.38 0.43 -0.32 -0.55 8.40 7.58 2zciA1 ALA 442 HA -0.19 -0.05 0.34 -0.75 4.34 3.69 2zciA1 ALA 442 HB3 -0.16 0.03 0.13 -0.04 1.41 1.38 2zciA1 LEU 443 H -0.17 0.33 -0.55 -0.55 8.37 7.44 2zciA1 LEU 443 HA -0.01 0.09 0.43 -0.75 4.35 4.10 2zciA1 LEU 443 HB2 -0.02 0.12 -0.01 -0.04 1.64 1.69 2zciA1 LEU 443 HB3 0.02 -0.08 0.06 -0.04 1.64 1.60 2zciA1 LEU 443 HG -0.06 0.00 -0.08 -0.04 1.64 1.46 2zciA1 LEU 443 HD13 0.12 -0.01 -0.08 -0.04 0.93 0.92 2zciA1 LEU 443 HD23 -0.07 -0.01 -0.08 -0.04 0.89 0.69 2zciA1 LEU 444 H -0.20 0.39 -0.45 -0.55 8.37 7.57 2zciA1 LEU 444 HA -0.14 0.03 0.38 -0.75 4.35 3.87 2zciA1 LEU 444 HB2 -0.29 0.08 0.23 -0.04 1.64 1.61 2zciA1 LEU 444 HB3 -0.16 0.03 0.12 -0.04 1.64 1.58 2zciA1 LEU 444 HG -0.05 -0.03 -0.09 -0.04 1.64 1.44 2zciA1 LEU 444 HD13 -0.04 -0.02 0.06 -0.04 0.93 0.88 2zciA1 LEU 444 HD23 -0.03 0.06 -0.16 -0.04 0.89 0.73 2zciA1 ALA 445 H -0.17 0.25 0.24 -0.55 8.40 8.17 2zciA1 ALA 445 HA -0.27 0.20 0.67 -0.75 4.34 4.18 2zciA1 ALA 445 HB3 -0.56 -0.02 -0.21 -0.04 1.41 0.59 2zciA1 SER 446 H -0.21 0.40 0.14 -0.55 8.46 8.24 2zciA1 SER 446 HA -0.15 0.22 0.61 -0.75 4.49 4.41 2zciA1 SER 446 HB2 -0.13 -0.38 0.41 -0.04 3.95 3.81 2zciA1 SER 446 HB3 -0.15 0.01 0.34 -0.04 3.93 4.09 2zciA1 GLY 447 H -0.13 0.08 0.29 -0.55 8.43 8.12 2zciA1 GLY 447 HA2 -0.11 0.11 0.55 -0.51 4.01 4.04 2zciA1 GLY 447 HA3 -0.12 0.18 0.83 -0.51 4.01 4.39 2zciA1 GLN 448 H -0.12 -0.05 0.16 -0.55 8.47 7.90 2zciA1 GLN 448 HA -0.08 0.26 0.74 -0.75 4.36 4.52 2zciA1 GLN 448 HB2 -0.18 -0.02 0.04 -0.04 2.15 1.95 2zciA1 GLN 448 HB3 -0.09 0.03 0.00 -0.04 2.02 1.92 2zciA1 GLN 448 HG2 -0.08 0.10 -0.45 -0.04 2.40 1.92 2zciA1 GLN 448 HG3 -0.11 0.17 -0.22 -0.04 2.39 2.19 2zciA1 GLN 448 HE21 0.03 0.09 -0.12 -0.04 6.97 6.92 2zciA1 GLN 448 HE22 -0.10 -0.04 -0.10 -0.04 7.69 7.41 2zciA1 VAL 457 HA -0.01 0.01 0.17 -0.75 4.13 3.54 2zciA1 VAL 457 HB -0.03 -0.13 0.14 -0.04 2.12 2.06 2zciA1 VAL 457 HG13 -0.02 0.01 0.00 -0.04 0.97 0.93 2zciA1 VAL 457 HG23 -0.03 0.01 0.03 -0.04 0.95 0.92 2zciA1 GLY 458 H -0.03 0.11 0.00 -0.55 8.43 7.97 2zciA1 GLY 458 HA2 -0.00 0.12 0.28 -0.51 4.01 3.90 2zciA1 GLY 458 HA3 -0.02 0.03 0.45 -0.51 4.01 3.96 2zciA1 THR 459 H -0.05 0.13 0.03 -0.55 8.28 7.84 2zciA1 THR 459 HA -0.06 0.24 0.58 -0.75 4.39 4.39 2zciA1 THR 459 HB -0.06 0.03 0.18 -0.04 4.32 4.42 2zciA1 THR 459 HG23 -0.04 -0.03 -0.02 -0.04 1.22 1.09 2zciA1 LEU 460 H -0.11 -0.02 -0.03 -0.55 8.37 7.66 2zciA1 LEU 460 HA -0.22 0.14 0.72 -0.75 4.35 4.23 2zciA1 LEU 460 HB2 -0.25 -0.03 0.01 -0.04 1.64 1.33 2zciA1 LEU 460 HB3 -0.72 0.01 -0.21 -0.04 1.64 0.68 2zciA1 LEU 460 HG -0.39 0.03 -0.07 -0.04 1.64 1.17 2zciA1 LEU 460 HD13 -0.21 0.02 0.00 -0.04 0.93 0.70 2zciA1 LEU 460 HD23 -0.19 0.00 -0.04 -0.04 0.89 0.62 2zciA1 ARG 461 H -0.24 0.05 -0.15 -0.55 8.46 7.58 2zciA1 ARG 461 HA -0.11 0.25 0.81 -0.75 4.34 4.54 2zciA1 ARG 461 HB2 -0.09 0.12 -0.02 -0.04 1.90 1.87 2zciA1 ARG 461 HB3 -0.13 -0.23 0.13 -0.04 1.80 1.53 2zciA1 ARG 461 HG2 -0.10 0.12 -0.27 -0.04 1.67 1.38 2zciA1 ARG 461 HG3 -0.07 0.10 -0.04 -0.04 1.67 1.61 2zciA1 ARG 461 HD2 -0.10 -0.43 0.14 -0.04 3.22 2.78 2zciA1 ARG 461 HD3 -0.07 0.08 0.02 -0.04 3.22 3.20 2zciA1 HIS 462 H -0.07 0.21 -0.06 -0.55 8.41 7.95 2zciA1 HIS 462 HA -0.28 0.13 0.52 -0.75 4.63 4.24 2zciA1 HIS 462 HB2 -0.68 -0.01 0.06 -0.04 3.26 2.58 2zciA1 HIS 462 HB3 -0.80 0.11 0.03 -0.04 3.20 2.50 2zciA1 HIS 462 HD2 -0.31 0.08 -0.12 -0.04 6.97 6.57 2zciA1 HIS 462 HE1 -0.23 -0.02 -0.12 -0.04 7.75 7.33 2zciA1 ASP 463 H -0.10 0.83 0.15 -0.55 8.40 8.72 2zciA1 ASP 463 HA -0.00 0.08 0.46 -0.75 4.63 4.41 2zciA1 ASP 463 HB2 -0.03 0.05 -0.08 -0.04 2.71 2.61 2zciA1 ASP 463 HB3 -0.00 -0.07 0.18 -0.04 2.70 2.77 2zciA1 PRO 464 HA -0.13 0.26 0.42 -0.51 4.44 4.48 2zciA1 PRO 464 HB2 -0.02 -0.04 0.02 -0.04 2.28 2.20 2zciA1 PRO 464 HB3 0.01 0.36 0.25 -0.04 2.02 2.61 2zciA1 PRO 464 HG2 0.02 -0.03 0.09 -0.04 2.03 2.07 2zciA1 PRO 464 HG3 0.19 0.07 0.09 -0.04 2.03 2.33 2zciA1 PRO 464 HD2 0.07 0.04 0.09 -0.04 3.68 3.84 2zciA1 PRO 464 HD3 0.10 0.15 0.05 -0.04 3.65 3.91 2zciA1 MET 465 H -0.32 0.43 0.25 -0.55 8.47 8.28 2zciA1 MET 465 HA -0.20 0.02 0.35 -0.75 4.52 3.94 2zciA1 MET 465 HB2 0.17 0.11 -0.25 -0.04 2.15 2.14 2zciA1 MET 465 HB3 0.38 -0.02 0.15 -0.04 2.03 2.50 2zciA1 MET 465 HG2 -0.28 0.02 -0.06 -0.04 2.63 2.27 2zciA1 MET 465 HG3 -0.44 -0.00 0.02 -0.04 2.56 2.10 2zciA1 MET 465 HE3 -1.68 0.05 0.01 -0.04 2.10 0.44 2zciA1 ALA 466 H 0.04 0.51 -0.20 -0.55 8.40 8.20 2zciA1 ALA 466 HA 0.15 -0.00 0.15 -0.75 4.34 3.88 2zciA1 ALA 466 HB3 0.27 0.05 -0.11 -0.04 1.41 1.57 2zciA1 MET 467 H 0.10 0.42 -0.36 -0.55 8.47 8.09 2zciA1 MET 467 HA 0.24 0.18 0.61 -0.75 4.52 4.80 2zciA1 MET 467 HB2 0.00 0.27 0.00 -0.04 2.15 2.38 2zciA1 MET 467 HB3 -0.13 -0.09 -0.07 -0.04 2.03 1.69 2zciA1 MET 467 HG2 0.32 0.15 -0.18 -0.04 2.63 2.89 2zciA1 MET 467 HG3 0.26 -0.01 -0.03 -0.04 2.56 2.74 2zciA1 MET 467 HE3 0.11 0.02 -0.07 -0.04 2.10 2.12 2zciA1 LEU 468 H 0.01 0.03 -0.12 -0.55 8.37 7.74 2zciA1 LEU 468 HA -0.09 0.03 0.18 -0.75 4.35 3.71 2zciA1 LEU 468 HB2 -0.01 -0.12 0.15 -0.04 1.64 1.62 2zciA1 LEU 468 HB3 -0.06 0.06 0.06 -0.04 1.64 1.65 2zciA1 LEU 468 HG 0.08 -0.03 0.02 -0.04 1.64 1.67 2zciA1 LEU 468 HD13 0.02 0.04 -0.00 -0.04 0.93 0.95 2zciA1 LEU 468 HD23 0.02 0.01 0.08 -0.04 0.89 0.96 2zciA1 PRO 469 HA -0.31 0.30 0.85 -0.51 4.44 4.76 2zciA1 PRO 469 HB2 -0.96 0.01 0.08 -0.04 2.28 1.37 2zciA1 PRO 469 HB3 -0.36 -0.02 0.10 -0.04 2.02 1.70 2zciA1 PRO 469 HG2 -0.90 0.02 -0.04 -0.04 2.03 1.07 2zciA1 PRO 469 HG3 -0.28 -0.02 0.01 -0.04 2.03 1.69 2zciA1 PRO 469 HD2 -0.38 0.13 -0.29 -0.04 3.68 3.10 2zciA1 PRO 469 HD3 -0.17 0.00 -0.03 -0.04 3.65 3.41 2zciA1 PHE 470 H -0.22 0.57 -0.31 -0.55 8.34 7.82 2zciA1 PHE 470 HA -0.02 0.18 0.55 -0.75 4.62 4.58 2zciA1 PHE 470 HB2 -0.07 0.08 -0.03 -0.04 3.15 3.08 2zciA1 PHE 470 HB3 -0.00 -0.10 -0.03 -0.04 3.06 2.89 2zciA1 PHE 470 HD2 -0.14 0.07 -0.13 -0.04 7.28 7.03 2zciA1 PHE 470 HE2 -0.13 0.00 -0.09 -0.04 7.38 7.11 2zciA1 PHE 470 HZ -0.03 -0.04 -0.07 -0.04 7.32 7.14 2zciA1 ILE 471 H -0.12 0.16 0.00 -0.55 8.25 7.75 2zciA1 ILE 471 HA -0.14 0.04 0.39 -0.75 4.18 3.72 2zciA1 ILE 471 HB -0.26 0.05 0.09 -0.04 1.89 1.73 2zciA1 ILE 471 HG12 -1.04 -0.01 -0.03 -0.04 1.49 0.37 2zciA1 ILE 471 HG13 -0.30 0.06 -0.06 -0.04 1.21 0.87 2zciA1 ILE 471 HG23 -0.54 -0.07 -0.10 -0.04 0.93 0.18 2zciA1 ILE 471 HD13 -0.32 -0.00 -0.02 -0.04 0.88 0.49 2zciA1 GLY 472 H 0.07 0.11 0.17 -0.55 8.43 8.23 2zciA1 GLY 472 HA2 0.08 0.14 0.54 -0.51 4.01 4.25 2zciA1 GLY 472 HA3 0.16 0.17 0.40 -0.51 4.01 4.23 2zciA1 TYR 473 H -0.21 0.14 -0.34 -0.55 8.29 7.32 2zciA1 TYR 473 HA 0.02 0.27 0.50 -0.75 4.56 4.61 2zciA1 TYR 473 HB2 0.02 -0.10 0.22 -0.04 3.06 3.15 2zciA1 TYR 473 HB3 0.02 0.08 -0.04 -0.04 2.98 3.00 2zciA1 TYR 473 HD2 0.03 -0.10 -0.24 -0.04 7.15 6.80 2zciA1 TYR 473 HE2 0.09 -0.01 -0.31 -0.04 6.85 6.58 2zciA1 ASN 474 H 0.19 0.15 0.05 -0.55 8.53 8.38 2zciA1 ASN 474 HA -0.07 0.11 0.15 -0.75 4.76 4.19 2zciA1 ASN 474 HB2 0.02 0.31 0.11 -0.04 2.88 3.27 2zciA1 ASN 474 HB3 0.07 -0.11 0.15 -0.04 2.79 2.86 2zciA1 ASN 474 HD21 -0.09 -0.08 0.12 -0.04 7.03 6.94 2zciA1 ASN 474 HD22 -0.06 0.74 0.24 -0.04 7.74 8.62 2zciA1 ALA 475 H -0.14 0.19 0.23 -0.55 8.40 8.14 2zciA1 ALA 475 HA -0.15 0.11 0.42 -0.75 4.34 3.96 2zciA1 ALA 475 HB3 -0.14 0.05 0.16 -0.04 1.41 1.44 2zciA1 GLY 476 H -0.08 0.15 -0.14 -0.55 8.43 7.81 2zciA1 GLY 476 HA2 -0.03 0.11 0.41 -0.51 4.01 3.99 2zciA1 GLY 476 HA3 -0.05 -0.02 0.08 -0.51 4.01 3.51 2zciA1 GLU 477 H 0.02 0.07 -0.27 -0.55 8.60 7.88 2zciA1 GLU 477 HA 0.09 0.14 0.63 -0.75 4.29 4.40 2zciA1 GLU 477 HB2 0.09 -0.05 0.09 -0.04 2.09 2.18 2zciA1 GLU 477 HB3 0.21 0.09 0.09 -0.04 1.99 2.34 2zciA1 GLU 477 HG2 0.29 0.03 -0.05 -0.04 2.34 2.57 2zciA1 GLU 477 HG3 0.11 -0.01 0.09 -0.04 2.34 2.48 2zciA1 TYR 478 H 0.10 0.29 -0.48 -0.55 8.29 7.64 2zciA1 TYR 478 HA 0.22 0.08 0.51 -0.75 4.56 4.61 2zciA1 TYR 478 HB2 -0.59 0.00 -0.05 -0.04 3.06 2.39 2zciA1 TYR 478 HB3 -0.20 0.11 0.13 -0.04 2.98 2.99 2zciA1 TYR 478 HD2 0.04 0.05 -0.03 -0.04 7.15 7.17 2zciA1 TYR 478 HE2 0.12 0.04 -0.08 -0.04 6.85 6.88 2zciA1 LEU 479 H 0.11 0.43 -0.04 -0.55 8.37 8.33 2zciA1 LEU 479 HA -0.12 0.03 0.54 -0.75 4.35 4.06 2zciA1 LEU 479 HB2 -0.01 0.18 0.23 -0.04 1.64 2.01 2zciA1 LEU 479 HB3 -0.05 -0.09 0.05 -0.04 1.64 1.50 2zciA1 LEU 479 HG 0.04 0.18 0.12 -0.04 1.64 1.94 2zciA1 LEU 479 HD13 -0.10 -0.02 0.05 -0.04 0.93 0.82 2zciA1 LEU 479 HD23 -0.21 -0.01 0.01 -0.04 0.89 0.64 2zciA1 GLN 480 H 0.07 0.44 -0.35 -0.55 8.47 8.08 2zciA1 GLN 480 HA 0.08 -0.09 0.55 -0.75 4.36 4.14 2zciA1 GLN 480 HB2 0.06 0.18 0.21 -0.04 2.15 2.55 2zciA1 GLN 480 HB3 0.09 0.26 0.17 -0.04 2.02 2.50 2zciA1 GLN 480 HG2 0.05 -0.00 0.06 -0.04 2.40 2.46 2zciA1 GLN 480 HG3 0.06 0.02 -0.05 -0.04 2.39 2.38 2zciA1 GLN 480 HE21 0.05 -0.14 0.08 -0.04 6.97 6.92 2zciA1 GLN 480 HE22 0.05 0.15 0.07 -0.04 7.69 7.91 2zciA1 ASN 481 H 0.11 0.30 -0.41 -0.55 8.53 7.99 2zciA1 ASN 481 HA 0.06 0.04 0.64 -0.75 4.76 4.75 2zciA1 ASN 481 HB2 0.15 0.03 0.17 -0.04 2.88 3.19 2zciA1 ASN 481 HB3 0.00 0.05 0.00 -0.04 2.79 2.80 2zciA1 ASN 481 HD21 -0.15 0.39 0.02 -0.04 7.03 7.25 2zciA1 ASN 481 HD22 -0.06 -0.10 -0.01 -0.04 7.74 7.53 2zciA1 TRP 482 H 0.33 0.40 -0.12 -0.55 7.97 8.03 2zciA1 TRP 482 HA 0.29 0.06 0.47 -0.75 4.62 4.69 2zciA1 TRP 482 HB2 -0.05 0.18 0.20 -0.04 3.23 3.52 2zciA1 TRP 482 HB3 0.05 -0.06 -0.03 -0.04 3.23 3.15 2zciA1 TRP 482 HD1 -0.64 0.27 0.03 -0.04 7.22 6.84 2zciA1 TRP 482 HE1 -0.15 0.02 -0.06 -0.04 10.20 9.97 2zciA1 TRP 482 HE3 -0.67 -0.02 -0.06 -0.04 7.59 6.80 2zciA1 TRP 482 HZ2 0.29 0.01 -0.07 -0.04 7.44 7.64 2zciA1 TRP 482 HZ3 -0.64 -0.01 -0.12 -0.04 7.13 6.31 2zciA1 TRP 482 HH2 0.09 -0.00 -0.11 -0.04 7.19 7.12 2zciA1 ILE 483 H 0.29 0.39 -0.25 -0.55 8.25 8.13 2zciA1 ILE 483 HA 0.37 -0.01 0.32 -0.75 4.18 4.10 2zciA1 ILE 483 HB 0.14 0.18 0.21 -0.04 1.89 2.37 2zciA1 ILE 483 HG12 0.14 0.32 0.07 -0.04 1.49 1.98 2zciA1 ILE 483 HG13 0.09 -0.14 0.00 -0.04 1.21 1.13 2zciA1 ILE 483 HG23 0.12 -0.04 -0.05 -0.04 0.93 0.92 2zciA1 ILE 483 HD13 0.16 -0.02 -0.05 -0.04 0.88 0.93 2zciA1 ASP 484 H 0.12 0.55 0.03 -0.55 8.40 8.55 2zciA1 ASP 484 HA 0.05 -0.03 0.49 -0.75 4.63 4.38 2zciA1 ASP 484 HB2 0.05 0.14 0.20 -0.04 2.71 3.06 2zciA1 ASP 484 HB3 0.01 0.02 -0.03 -0.04 2.70 2.66 2zciA1 MET 485 H 0.06 0.56 -0.31 -0.55 8.47 8.23 2zciA1 MET 485 HA -0.10 0.03 0.52 -0.75 4.52 4.22 2zciA1 MET 485 HB2 0.03 0.11 0.08 -0.04 2.15 2.34 2zciA1 MET 485 HB3 -0.26 -0.07 -0.11 -0.04 2.03 1.55 2zciA1 MET 485 HG2 -0.05 0.10 0.01 -0.04 2.63 2.65 2zciA1 MET 485 HG3 -0.13 -0.04 -0.12 -0.04 2.56 2.22 2zciA1 MET 485 HE3 -0.02 0.06 -0.21 -0.04 2.10 1.90 2zciA1 GLY 486 H 0.06 0.46 -0.20 -0.55 8.43 8.20 2zciA1 GLY 486 HA2 -0.99 0.04 0.46 -0.51 4.01 3.01 2zciA1 GLY 486 HA3 -0.12 -0.05 0.30 -0.51 4.01 3.63 2zciA1 ASN 487 H 0.01 0.48 -0.12 -0.55 8.53 8.35 2zciA1 ASN 487 HA -0.00 -0.04 0.44 -0.75 4.76 4.41 2zciA1 ASN 487 HB2 0.02 0.13 0.20 -0.04 2.88 3.19 2zciA1 ASN 487 HB3 0.01 -0.03 0.02 -0.04 2.79 2.76 2zciA1 ASN 487 HD21 0.07 -0.11 -0.05 -0.04 7.03 6.90 2zciA1 ASN 487 HD22 0.06 0.00 -0.08 -0.04 7.74 7.68 2zciA1 LYS 488 H -0.06 0.52 -0.03 -0.55 8.42 8.29 2zciA1 LYS 488 HA -0.03 -0.03 0.40 -0.75 4.32 3.90 2zciA1 LYS 488 HB2 -0.07 0.05 0.20 -0.04 1.87 2.01 2zciA1 LYS 488 HB3 -0.06 0.02 -0.08 -0.04 1.79 1.63 2zciA1 LYS 488 HG2 -0.02 0.02 0.03 -0.04 1.46 1.45 2zciA1 LYS 488 HG3 -0.02 -0.06 0.06 -0.04 1.46 1.39 2zciA1 LYS 488 HD2 -0.01 -0.08 0.00 -0.04 1.69 1.56 2zciA1 LYS 488 HD3 -0.02 0.14 -0.02 -0.04 1.68 1.74 2zciA1 LYS 488 HE2 -0.00 -0.02 0.02 -0.04 2.99 2.94 2zciA1 LYS 488 HE3 -0.02 -0.03 -0.06 -0.04 2.99 2.84 2zciA1 GLY 489 H -0.18 0.51 -0.26 -0.55 8.43 7.95 2zciA1 GLY 489 HA2 -0.10 0.06 0.23 -0.51 4.01 3.69 2zciA1 GLY 489 HA3 -0.21 0.01 0.21 -0.51 4.01 3.51 2zciA1 GLY 490 H -0.12 0.60 -0.07 -0.55 8.43 8.29 2zciA1 GLY 490 HA2 -0.03 -0.00 0.34 -0.51 4.01 3.81 2zciA1 GLY 490 HA3 -0.03 -0.03 0.43 -0.51 4.01 3.88 2zciA1 ASP 491 H -0.01 0.13 0.23 -0.55 8.40 8.21 2zciA1 ASP 491 HA 0.02 0.08 0.38 -0.75 4.63 4.36 2zciA1 ASP 491 HB2 0.02 0.04 0.18 -0.04 2.71 2.91 2zciA1 ASP 491 HB3 0.02 -0.06 0.13 -0.04 2.70 2.75 2zciA1 LYS 492 H -0.03 0.42 -0.30 -0.55 8.42 7.96 2zciA1 LYS 492 HA 0.00 0.21 0.72 -0.75 4.32 4.50 2zciA1 LYS 492 HB2 0.00 -0.15 -0.08 -0.04 1.87 1.60 2zciA1 LYS 492 HB3 0.01 -0.01 -0.10 -0.04 1.79 1.64 2zciA1 LYS 492 HG2 -0.03 0.03 0.09 -0.04 1.46 1.52 2zciA1 LYS 492 HG3 -0.06 0.00 -0.05 -0.04 1.46 1.31 2zciA1 LYS 492 HD2 -0.02 -0.01 -0.06 -0.04 1.69 1.56 2zciA1 LYS 492 HD3 0.02 -0.25 -0.21 -0.04 1.68 1.19 2zciA1 LYS 492 HE2 -0.02 -0.03 0.05 -0.04 2.99 2.96 2zciA1 LYS 492 HE3 -0.00 0.17 0.11 -0.04 2.99 3.22 2zciA1 MET 493 H -0.04 0.24 -0.59 -0.55 8.47 7.52 2zciA1 MET 493 HA -0.16 0.05 0.44 -0.75 4.52 4.09 2zciA1 MET 493 HB2 -0.04 0.03 0.06 -0.04 2.15 2.16 2zciA1 MET 493 HB3 -0.11 -0.02 -0.07 -0.04 2.03 1.79 2zciA1 MET 493 HG2 -0.35 0.18 -0.07 -0.04 2.63 2.34 2zciA1 MET 493 HG3 -1.10 -0.15 0.01 -0.04 2.56 1.28 2zciA1 MET 493 HE3 -1.53 -0.03 -0.19 -0.04 2.10 0.30 2zciA1 PRO 494 HA 0.15 0.16 0.32 -0.51 4.44 4.56 2zciA1 PRO 494 HB2 0.20 -0.11 -0.52 -0.04 2.28 1.82 2zciA1 PRO 494 HB3 0.12 0.35 -0.31 -0.04 2.02 2.14 2zciA1 PRO 494 HG2 0.47 -0.07 -0.15 -0.04 2.03 2.25 2zciA1 PRO 494 HG3 0.18 0.01 -0.11 -0.04 2.03 2.07 2zciA1 PRO 494 HD2 -0.01 0.00 0.11 -0.04 3.68 3.75 2zciA1 PRO 494 HD3 0.01 0.18 0.22 -0.04 3.65 4.02 2zciA1 SER 495 H 0.20 0.30 0.19 -0.55 8.46 8.60 2zciA1 SER 495 HA 0.17 0.01 0.58 -0.75 4.49 4.50 2zciA1 SER 495 HB2 0.14 0.07 0.16 -0.04 3.95 4.28 2zciA1 SER 495 HB3 0.34 0.00 0.18 -0.04 3.93 4.42 2zciA1 ILE 496 H 0.05 0.06 0.10 -0.55 8.25 7.92 2zciA1 ILE 496 HA 0.08 0.34 0.88 -0.75 4.18 4.73 2zciA1 ILE 496 HB -0.05 -0.15 0.09 -0.04 1.89 1.74 2zciA1 ILE 496 HG12 -0.14 0.02 -0.12 -0.04 1.49 1.21 2zciA1 ILE 496 HG13 0.06 0.13 -0.21 -0.04 1.21 1.15 2zciA1 ILE 496 HG23 0.02 0.00 -0.13 -0.04 0.93 0.78 2zciA1 ILE 496 HD13 -0.65 -0.03 -0.08 -0.04 0.88 0.08 2zciA1 PHE 497 H 0.18 0.71 0.48 -0.55 8.34 9.16 2zciA1 PHE 497 HA 0.06 0.21 1.07 -0.75 4.62 5.21 2zciA1 PHE 497 HB2 0.06 -0.05 -0.05 -0.04 3.15 3.08 2zciA1 PHE 497 HB3 0.10 -0.03 -0.06 -0.04 3.06 3.03 2zciA1 PHE 497 HD2 0.23 0.01 -0.28 -0.04 7.28 7.20 2zciA1 PHE 497 HE2 0.25 0.03 -0.11 -0.04 7.38 7.51 2zciA1 PHE 497 HZ -0.03 0.08 -0.04 -0.04 7.32 7.29 2zciA1 LEU 498 H 0.13 0.52 0.25 -0.55 8.37 8.73 2zciA1 LEU 498 HA 0.11 0.24 0.95 -0.75 4.35 4.90 2zciA1 LEU 498 HB2 0.03 -0.04 -0.08 -0.04 1.64 1.51 2zciA1 LEU 498 HB3 0.02 -0.04 0.07 -0.04 1.64 1.65 2zciA1 LEU 498 HG 0.02 0.07 -0.26 -0.04 1.64 1.43 2zciA1 LEU 498 HD13 0.03 0.02 -0.10 -0.04 0.93 0.84 2zciA1 LEU 498 HD23 0.11 -0.02 -0.11 -0.04 0.89 0.84 2zciA1 VAL 499 H -0.03 0.58 0.38 -0.55 8.24 8.62 2zciA1 VAL 499 HA -0.17 0.32 0.95 -0.75 4.13 4.48 2zciA1 VAL 499 HB -1.06 -0.05 0.12 -0.04 2.12 1.09 2zciA1 VAL 499 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.80 2zciA1 VAL 499 HG23 -0.54 -0.00 -0.11 -0.04 0.95 0.26 2zciA1 ASN 500 H -0.33 0.52 0.16 -0.55 8.53 8.34 2zciA1 ASN 500 HA -0.25 0.08 0.72 -0.75 4.76 4.56 2zciA1 ASN 500 HB2 -0.08 0.05 -0.19 -0.04 2.88 2.61 2zciA1 ASN 500 HB3 -0.07 0.25 -0.11 -0.04 2.79 2.83 2zciA1 ASN 500 HD21 0.02 0.37 0.03 -0.04 7.03 7.41 2zciA1 ASN 500 HD22 -0.01 0.65 0.05 -0.04 7.74 8.38 2zciA1 TRP 501 H -0.44 0.17 0.07 -0.55 7.97 7.22 2zciA1 TRP 501 HA -0.15 0.10 0.57 -0.75 4.62 4.39 2zciA1 TRP 501 HB2 -1.40 0.03 -0.05 -0.04 3.23 1.77 2zciA1 TRP 501 HB3 -0.52 -0.03 0.10 -0.04 3.23 2.74 2zciA1 TRP 501 HD1 -0.23 -0.00 -0.03 -0.04 7.22 6.91 2zciA1 TRP 501 HE1 -0.26 0.06 -0.07 -0.04 10.20 9.89 2zciA1 TRP 501 HE3 -0.22 0.05 -0.14 -0.04 7.59 7.23 2zciA1 TRP 501 HZ2 0.14 0.05 -0.11 -0.04 7.44 7.47 2zciA1 TRP 501 HZ3 -0.20 0.05 -0.03 -0.04 7.13 6.91 2zciA1 TRP 501 HH2 0.02 0.04 -0.08 -0.04 7.19 7.13 2zciA1 PHE 502 H 0.17 0.15 -0.37 -0.55 8.34 7.74 2zciA1 PHE 502 HA 0.45 0.18 0.46 -0.75 4.62 4.96 2zciA1 PHE 502 HB2 0.06 -0.07 -0.06 -0.04 3.15 3.04 2zciA1 PHE 502 HB3 0.20 0.02 -0.01 -0.04 3.06 3.24 2zciA1 PHE 502 HD2 0.16 0.05 -0.03 -0.04 7.28 7.43 2zciA1 PHE 502 HE2 -0.06 0.02 -0.08 -0.04 7.38 7.22 2zciA1 PHE 502 HZ 0.07 -0.01 -0.06 -0.04 7.32 7.29 2zciA1 ARG 503 H 0.15 0.10 -0.14 -0.55 8.46 8.01 2zciA1 ARG 503 HA 0.02 0.18 0.53 -0.75 4.34 4.31 2zciA1 ARG 503 HB2 0.05 0.13 0.05 -0.04 1.90 2.08 2zciA1 ARG 503 HB3 0.07 -0.19 -0.04 -0.04 1.80 1.61 2zciA1 ARG 503 HG2 0.01 -0.10 -0.11 -0.04 1.67 1.43 2zciA1 ARG 503 HG3 0.00 0.00 -0.06 -0.04 1.67 1.58 2zciA1 ARG 503 HD2 -0.01 0.03 -0.48 -0.04 3.22 2.72 2zciA1 ARG 503 HD3 -0.00 0.33 -0.22 -0.04 3.22 3.30 2zciA1 ARG 504 H -0.05 0.54 0.27 -0.55 8.46 8.67 2zciA1 ARG 504 HA -0.11 0.22 0.92 -0.75 4.34 4.61 2zciA1 ARG 504 HB2 -0.13 0.02 0.05 -0.04 1.90 1.80 2zciA1 ARG 504 HB3 -0.18 -0.09 -0.20 -0.04 1.80 1.29 2zciA1 ARG 504 HG2 -0.57 0.06 -0.62 -0.04 1.67 0.50 2zciA1 ARG 504 HG3 -0.27 0.04 -0.12 -0.04 1.67 1.28 2zciA1 ARG 504 HD2 -0.26 -0.07 -0.17 -0.04 3.22 2.68 2zciA1 ARG 504 HD3 -0.60 0.03 -0.42 -0.04 3.22 2.19 2zciA1 GLY 505 H -0.05 0.58 0.22 -0.55 8.43 8.63 2zciA1 GLY 505 HA2 -0.01 0.14 0.45 -0.51 4.01 4.07 2zciA1 GLY 505 HA3 -0.01 -0.04 0.37 -0.51 4.01 3.82 2zciA1 GLU 506 H -0.01 0.14 0.16 -0.55 8.60 8.35 2zciA1 GLU 506 HA -0.02 0.14 0.39 -0.75 4.29 4.05 2zciA1 GLU 506 HB2 -0.01 -0.04 0.12 -0.04 2.09 2.12 2zciA1 GLU 506 HB3 -0.01 0.05 0.09 -0.04 1.99 2.07 2zciA1 GLU 506 HG2 -0.01 0.04 0.08 -0.04 2.34 2.41 2zciA1 GLU 506 HG3 -0.01 -0.03 0.10 -0.04 2.34 2.37 2zciA1 ASP 507 H -0.01 -0.05 -0.43 -0.55 8.40 7.36 2zciA1 ASP 507 HA -0.01 0.29 0.94 -0.75 4.63 5.09 2zciA1 ASP 507 HB2 -0.00 0.06 0.13 -0.04 2.71 2.85 2zciA1 ASP 507 HB3 -0.00 -0.02 -0.01 -0.04 2.70 2.63 2zciA1 GLY 508 H -0.05 0.56 -0.20 -0.55 8.43 8.20 2zciA1 GLY 508 HA2 -0.09 0.06 0.22 -0.51 4.01 3.69 2zciA1 GLY 508 HA3 -0.05 0.12 0.41 -0.51 4.01 3.97 2zciA1 ARG 509 H -0.04 -0.11 -0.25 -0.55 8.46 7.51 2zciA1 ARG 509 HA -0.05 0.29 0.97 -0.75 4.34 4.80 2zciA1 ARG 509 HB2 0.08 0.05 0.06 -0.04 1.90 2.04 2zciA1 ARG 509 HB3 0.02 0.00 -0.12 -0.04 1.80 1.66 2zciA1 ARG 509 HG2 0.07 0.24 -0.16 -0.04 1.67 1.79 2zciA1 ARG 509 HG3 0.04 -0.01 -0.06 -0.04 1.67 1.60 2zciA1 ARG 509 HD2 0.01 -0.14 -0.05 -0.04 3.22 2.99 2zciA1 ARG 509 HD3 0.01 -0.09 -0.23 -0.04 3.22 2.87 2zciA1 PHE 510 H 0.35 0.13 0.13 -0.55 8.34 8.41 2zciA1 PHE 510 HA 0.04 0.31 0.49 -0.75 4.62 4.70 2zciA1 PHE 510 HB2 -0.02 -0.04 0.11 -0.04 3.15 3.16 2zciA1 PHE 510 HB3 -0.01 0.13 0.08 -0.04 3.06 3.22 2zciA1 PHE 510 HD2 0.02 -0.01 0.05 -0.04 7.28 7.30 2zciA1 PHE 510 HE2 0.22 -0.04 -0.01 -0.04 7.38 7.51 2zciA1 PHE 510 HZ 0.14 -0.03 -0.03 -0.04 7.32 7.36 2zciA1 LEU 511 H 0.19 0.54 0.24 -0.55 8.37 8.79 2zciA1 LEU 511 HA 0.11 0.03 0.47 -0.75 4.35 4.21 2zciA1 LEU 511 HB2 0.11 0.17 -0.07 -0.04 1.64 1.80 2zciA1 LEU 511 HB3 0.12 -0.05 -0.12 -0.04 1.64 1.55 2zciA1 LEU 511 HG 0.06 -0.07 -0.02 -0.04 1.64 1.57 2zciA1 LEU 511 HD13 0.03 0.02 -0.17 -0.04 0.93 0.77 2zciA1 LEU 511 HD23 0.02 -0.04 -0.25 -0.04 0.89 0.59 2zciA1 TRP 512 H 0.28 0.27 -0.07 -0.55 7.97 7.90 2zciA1 TRP 512 HA -0.05 0.13 0.74 -0.75 4.62 4.69 2zciA1 TRP 512 HB2 -0.01 -0.02 -0.10 -0.04 3.23 3.06 2zciA1 TRP 512 HB3 -0.04 0.18 0.09 -0.04 3.23 3.43 2zciA1 TRP 512 HD1 -0.21 0.11 0.03 -0.04 7.22 7.11 2zciA1 TRP 512 HE1 -0.56 -0.05 -0.07 -0.04 10.20 9.48 2zciA1 TRP 512 HE3 -0.05 0.05 0.07 -0.04 7.59 7.62 2zciA1 TRP 512 HZ2 -0.20 0.10 -0.23 -0.04 7.44 7.08 2zciA1 TRP 512 HZ3 -0.06 -0.06 0.02 -0.04 7.13 6.99 2zciA1 TRP 512 HH2 -0.09 -0.02 -0.01 -0.04 7.19 7.03 2zciA1 PRO 513 HA -0.35 0.13 0.66 -0.51 4.44 4.37 2zciA1 PRO 513 HB2 -0.43 0.06 0.06 -0.04 2.28 1.93 2zciA1 PRO 513 HB3 -0.30 0.06 0.12 -0.04 2.02 1.86 2zciA1 PRO 513 HG2 -0.96 -0.02 0.11 -0.04 2.03 1.12 2zciA1 PRO 513 HG3 -0.46 0.20 0.11 -0.04 2.03 1.84 2zciA1 PRO 513 HD2 -1.74 0.01 0.23 -0.04 3.68 2.14 2zciA1 PRO 513 HD3 -0.38 0.17 0.13 -0.04 3.65 3.53 2zciA1 GLY 514 H -1.86 -0.00 -0.19 -0.55 8.43 5.83 2zciA1 GLY 514 HA2 -0.60 -0.04 0.21 -0.51 4.01 3.07 2zciA1 GLY 514 HA3 -0.69 0.11 0.36 -0.51 4.01 3.28 2zciA1 PHE 515 H -0.72 0.12 0.14 -0.55 8.34 7.32 2zciA1 PHE 515 HA -0.22 0.09 0.37 -0.75 4.62 4.10 2zciA1 PHE 515 HB2 -0.24 0.11 0.09 -0.04 3.15 3.07 2zciA1 PHE 515 HB3 -0.16 0.10 0.30 -0.04 3.06 3.25 2zciA1 PHE 515 HD2 -0.16 0.06 0.05 -0.04 7.28 7.19 2zciA1 PHE 515 HE2 -0.10 -0.01 0.01 -0.04 7.38 7.24 2zciA1 PHE 515 HZ -0.07 -0.01 0.01 -0.04 7.32 7.21 2zciA1 GLY 516 H 0.00 0.22 0.24 -0.55 8.43 8.35 2zciA1 GLY 516 HA2 -0.05 0.11 0.24 -0.51 4.01 3.80 2zciA1 GLY 516 HA3 -0.07 0.11 0.35 -0.51 4.01 3.89 2zciA1 ASP 517 H -0.24 0.42 -0.40 -0.55 8.40 7.63 2zciA1 ASP 517 HA -0.14 0.06 0.28 -0.75 4.63 4.07 2zciA1 ASP 517 HB2 -0.65 0.15 0.02 -0.04 2.71 2.18 2zciA1 ASP 517 HB3 -0.60 -0.09 0.05 -0.04 2.70 2.01 2zciA1 ASN 518 H -0.28 0.37 -0.47 -0.55 8.53 7.59 2zciA1 ASN 518 HA -0.03 -0.03 0.44 -0.75 4.76 4.40 2zciA1 ASN 518 HB2 -0.42 0.21 -0.10 -0.04 2.88 2.54 2zciA1 ASN 518 HB3 -0.95 -0.01 0.00 -0.04 2.79 1.78 2zciA1 ASN 518 HD21 -1.26 -0.13 0.06 -0.04 7.03 5.67 2zciA1 ASN 518 HD22 -0.78 0.13 -0.03 -0.04 7.74 7.02 2zciA1 SER 519 H -0.10 0.46 -0.47 -0.55 8.46 7.81 2zciA1 SER 519 HA -0.09 0.06 0.47 -0.75 4.49 4.17 2zciA1 SER 519 HB2 -0.18 -0.01 -0.00 -0.04 3.95 3.72 2zciA1 SER 519 HB3 -0.07 0.12 0.05 -0.04 3.93 3.99 2zciA1 ARG 520 H 0.03 0.81 -0.15 -0.55 8.46 8.59 2zciA1 ARG 520 HA -0.10 0.13 0.46 -0.75 4.34 4.06 2zciA1 ARG 520 HB2 0.42 0.01 0.12 -0.04 1.90 2.40 2zciA1 ARG 520 HB3 0.15 -0.04 0.07 -0.04 1.80 1.93 2zciA1 ARG 520 HG2 0.01 0.11 -0.07 -0.04 1.67 1.67 2zciA1 ARG 520 HG3 -0.01 -0.05 0.04 -0.04 1.67 1.61 2zciA1 ARG 520 HD2 0.04 0.01 0.04 -0.04 3.22 3.27 2zciA1 ARG 520 HD3 0.14 -0.15 -0.01 -0.04 3.22 3.16 2zciA1 VAL 521 H 0.10 0.20 -0.15 -0.55 8.24 7.84 2zciA1 VAL 521 HA -0.02 0.02 0.47 -0.75 4.13 3.85 2zciA1 VAL 521 HB 0.06 0.16 0.14 -0.04 2.12 2.44 2zciA1 VAL 521 HG13 0.28 0.00 -0.14 -0.04 0.97 1.07 2zciA1 VAL 521 HG23 -0.42 -0.01 -0.04 -0.04 0.95 0.43 2zciA1 LEU 522 H -0.03 0.39 -0.28 -0.55 8.37 7.91 2zciA1 LEU 522 HA -0.01 -0.00 0.19 -0.75 4.35 3.77 2zciA1 LEU 522 HB2 -0.10 0.06 0.11 -0.04 1.64 1.67 2zciA1 LEU 522 HB3 -0.05 -0.00 -0.06 -0.04 1.64 1.48 2zciA1 LEU 522 HG 0.07 0.12 -0.13 -0.04 1.64 1.66 2zciA1 LEU 522 HD13 0.08 0.00 -0.15 -0.04 0.93 0.83 2zciA1 LEU 522 HD23 0.17 -0.03 -0.15 -0.04 0.89 0.84 2zciA1 LYS 523 H -0.24 0.40 -0.45 -0.55 8.42 7.58 2zciA1 LYS 523 HA -0.54 0.05 0.51 -0.75 4.32 3.58 2zciA1 LYS 523 HB2 -1.17 -0.01 0.05 -0.04 1.87 0.71 2zciA1 LYS 523 HB3 -0.33 0.18 0.16 -0.04 1.79 1.76 2zciA1 LYS 523 HG2 -0.06 0.03 -0.28 -0.04 1.46 1.11 2zciA1 LYS 523 HG3 -0.13 -0.08 -0.01 -0.04 1.46 1.20 2zciA1 LYS 523 HD2 -0.22 -0.03 -0.03 -0.04 1.69 1.37 2zciA1 LYS 523 HD3 -0.18 0.06 -0.01 -0.04 1.68 1.51 2zciA1 LYS 523 HE2 0.19 -0.02 -0.03 -0.04 2.99 3.09 2zciA1 LYS 523 HE3 0.08 0.07 -0.07 -0.04 2.99 3.03 2zciA1 TRP 524 H 0.12 0.39 -0.14 -0.55 7.97 7.79 2zciA1 TRP 524 HA -0.03 0.03 0.46 -0.75 4.62 4.32 2zciA1 TRP 524 HB2 -0.06 0.07 0.07 -0.04 3.23 3.27 2zciA1 TRP 524 HB3 -0.08 0.07 0.09 -0.04 3.23 3.27 2zciA1 TRP 524 HD1 0.01 0.23 -0.12 -0.04 7.22 7.29 2zciA1 TRP 524 HE1 0.04 -0.07 -0.07 -0.04 10.20 10.06 2zciA1 TRP 524 HE3 -0.03 0.08 -0.45 -0.04 7.59 7.15 2zciA1 TRP 524 HZ2 0.10 0.12 -0.17 -0.04 7.44 7.45 2zciA1 TRP 524 HZ3 0.63 -0.01 -0.24 -0.04 7.13 7.46 2zciA1 TRP 524 HH2 0.21 0.11 -0.09 -0.04 7.19 7.38 2zciA1 VAL 525 H 0.08 0.48 -0.25 -0.55 8.24 7.99 2zciA1 VAL 525 HA -0.39 0.00 0.36 -0.75 4.13 3.35 2zciA1 VAL 525 HB -0.22 0.12 0.06 -0.04 2.12 2.03 2zciA1 VAL 525 HG13 -0.58 -0.00 -0.18 -0.04 0.97 0.17 2zciA1 VAL 525 HG23 -0.42 0.01 -0.12 -0.04 0.95 0.38 2zciA1 ILE 526 H -0.18 0.36 -0.47 -0.55 8.25 7.41 2zciA1 ILE 526 HA -0.25 0.02 0.38 -0.75 4.18 3.58 2zciA1 ILE 526 HB -0.07 0.08 0.16 -0.04 1.89 2.02 2zciA1 ILE 526 HG12 -0.45 -0.05 -0.05 -0.04 1.49 0.89 2zciA1 ILE 526 HG13 -0.19 0.17 0.02 -0.04 1.21 1.18 2zciA1 ILE 526 HG23 -0.47 -0.01 -0.15 -0.04 0.93 0.25 2zciA1 ILE 526 HD13 -0.20 -0.02 -0.08 -0.04 0.88 0.54 2zciA1 ASP 527 H -0.10 0.69 0.12 -0.55 8.40 8.55 2zciA1 ASP 527 HA -0.04 0.00 0.54 -0.75 4.63 4.38 2zciA1 ASP 527 HB2 -0.24 0.05 0.11 -0.04 2.71 2.59 2zciA1 ASP 527 HB3 -0.10 -0.07 -0.13 -0.04 2.70 2.36 2zciA1 ARG 528 H -0.60 0.73 -0.28 -0.55 8.46 7.76 2zciA1 ARG 528 HA -0.43 0.01 0.63 -0.75 4.34 3.80 2zciA1 ARG 528 HB2 -1.81 -0.08 0.06 -0.04 1.90 0.04 2zciA1 ARG 528 HB3 -0.71 0.25 0.21 -0.04 1.80 1.51 2zciA1 ARG 528 HG2 -0.32 -0.10 -0.05 -0.04 1.67 1.16 2zciA1 ARG 528 HG3 0.08 0.03 -0.17 -0.04 1.67 1.57 2zciA1 ARG 528 HD2 0.02 -0.07 -0.04 -0.04 3.22 3.09 2zciA1 ARG 528 HD3 -0.12 0.01 0.01 -0.04 3.22 3.07 2zciA1 ILE 529 H -0.15 0.53 -0.01 -0.55 8.25 8.07 2zciA1 ILE 529 HA 0.03 0.01 0.43 -0.75 4.18 3.89 2zciA1 ILE 529 HB -0.06 0.10 0.17 -0.04 1.89 2.07 2zciA1 ILE 529 HG12 -0.05 0.29 0.01 -0.04 1.49 1.69 2zciA1 ILE 529 HG13 0.07 -0.03 -0.03 -0.04 1.21 1.17 2zciA1 ILE 529 HG23 0.08 -0.02 -0.07 -0.04 0.93 0.88 2zciA1 ILE 529 HD13 0.34 -0.05 0.03 -0.04 0.88 1.15 2zciA1 GLU 530 H -0.15 0.44 -0.11 -0.55 8.60 8.23 2zciA1 GLU 530 HA -0.13 0.04 0.54 -0.75 4.29 4.00 2zciA1 GLU 530 HB2 -0.40 0.00 0.03 -0.04 2.09 1.68 2zciA1 GLU 530 HB3 -0.40 -0.07 0.06 -0.04 1.99 1.53 2zciA1 GLU 530 HG2 -0.03 0.16 0.08 -0.04 2.34 2.50 2zciA1 GLU 530 HG3 0.06 -0.08 -0.04 -0.04 2.34 2.24 2zciA1 GLY 531 H -0.27 0.35 -0.18 -0.55 8.43 7.79 2zciA1 GLY 531 HA2 -0.14 0.12 0.26 -0.51 4.01 3.74 2zciA1 GLY 531 HA3 -0.14 0.03 0.07 -0.51 4.01 3.46 2zciA1 HIS 532 H -0.19 0.63 0.17 -0.55 8.41 8.47 2zciA1 HIS 532 HA -0.02 0.11 0.54 -0.75 4.63 4.50 2zciA1 HIS 532 HB2 -0.04 -0.01 0.01 -0.04 3.26 3.18 2zciA1 HIS 532 HB3 -0.00 -0.06 0.10 -0.04 3.20 3.19 2zciA1 HIS 532 HD2 -0.00 0.03 -0.18 -0.04 6.97 6.77 2zciA1 HIS 532 HE1 0.03 -0.03 -0.03 -0.04 7.75 7.67 2zciA1 VAL 533 H -0.09 0.28 -0.16 -0.55 8.24 7.72 2zciA1 VAL 533 HA 0.05 0.02 0.55 -0.75 4.13 4.00 2zciA1 VAL 533 HB 0.13 -0.08 0.03 -0.04 2.12 2.16 2zciA1 VAL 533 HG13 0.03 0.01 -0.18 -0.04 0.97 0.79 2zciA1 VAL 533 HG23 -0.75 0.02 -0.24 -0.04 0.95 -0.07 2zciA1 GLY 534 H 0.10 0.02 -0.00 -0.55 8.43 8.00 2zciA1 GLY 534 HA2 0.04 0.19 0.56 -0.51 4.01 4.28 2zciA1 GLY 534 HA3 0.08 -0.06 0.34 -0.51 4.01 3.86 2zciA1 ALA 535 H 0.13 0.11 0.04 -0.55 8.40 8.13 2zciA1 ALA 535 HA 0.28 0.14 0.54 -0.75 4.34 4.55 2zciA1 ALA 535 HB3 0.25 0.06 -0.40 -0.04 1.41 1.27 2zciA1 ASP 536 H 0.10 0.56 0.09 -0.55 8.40 8.61 2zciA1 ASP 536 HA 0.06 0.08 0.86 -0.75 4.63 4.88 2zciA1 ASP 536 HB2 0.02 0.10 0.08 -0.04 2.71 2.87 2zciA1 ASP 536 HB3 0.02 0.07 0.01 -0.04 2.70 2.76 2zciA1 GLU 537 H 0.06 0.12 0.10 -0.55 8.60 8.34 2zciA1 GLU 537 HA 0.12 0.15 0.68 -0.75 4.29 4.48 2zciA1 GLU 537 HB2 0.05 -0.07 0.16 -0.04 2.09 2.18 2zciA1 GLU 537 HB3 0.04 0.05 -0.03 -0.04 1.99 2.01 2zciA1 GLU 537 HG2 0.06 -0.04 0.00 -0.04 2.34 2.32 2zciA1 GLU 537 HG3 0.10 0.06 -0.02 -0.04 2.34 2.44 2zciA1 THR 538 H -0.00 0.61 0.41 -0.55 8.28 8.75 2zciA1 THR 538 HA -0.07 0.20 0.71 -0.75 4.39 4.48 2zciA1 THR 538 HB -0.15 -0.07 0.26 -0.04 4.32 4.32 2zciA1 THR 538 HG23 -0.03 0.06 -0.05 -0.04 1.22 1.16 2zciA1 VAL 539 H -0.27 0.18 0.14 -0.55 8.24 7.75 2zciA1 VAL 539 HA -0.23 0.14 0.51 -0.75 4.13 3.80 2zciA1 VAL 539 HB -0.44 0.04 -0.02 -0.04 2.12 1.66 2zciA1 VAL 539 HG13 -0.16 0.02 -0.11 -0.04 0.97 0.68 2zciA1 VAL 539 HG23 -0.88 -0.00 -0.01 -0.04 0.95 0.02 2zciA1 VAL 540 H -0.45 -0.03 -0.17 -0.55 8.24 7.05 2zciA1 VAL 540 HA -0.51 0.14 0.37 -0.75 4.13 3.38 2zciA1 VAL 540 HB -0.17 -0.01 -0.08 -0.04 2.12 1.82 2zciA1 VAL 540 HG13 -0.07 0.01 -0.13 -0.04 0.97 0.74 2zciA1 VAL 540 HG23 -0.73 -0.00 -0.03 -0.04 0.95 0.15 2zciA1 GLY 541 H -0.16 0.11 -0.21 -0.55 8.43 7.63 2zciA1 GLY 541 HA2 -0.11 0.04 0.22 -0.51 4.01 3.64 2zciA1 GLY 541 HA3 -0.26 0.23 0.53 -0.51 4.01 3.99 2zciA1 HIS 542 H -0.29 0.71 0.15 -0.55 8.41 8.43 2zciA1 HIS 542 HA 0.12 0.10 0.46 -0.75 4.63 4.55 2zciA1 HIS 542 HB2 0.23 -0.07 0.20 -0.04 3.26 3.58 2zciA1 HIS 542 HB3 0.19 0.02 -0.09 -0.04 3.20 3.28 2zciA1 HIS 542 HD2 0.08 0.05 -0.10 -0.04 6.97 6.96 2zciA1 HIS 542 HE1 -0.06 -0.03 -0.08 -0.04 7.75 7.54 2zciA1 THR 543 H 0.08 0.53 0.28 -0.55 8.28 8.63 2zciA1 THR 543 HA -0.05 0.17 1.10 -0.75 4.39 4.84 2zciA1 THR 543 HB -0.09 0.10 0.14 -0.04 4.32 4.43 2zciA1 THR 543 HG23 -0.04 0.00 -0.07 -0.04 1.22 1.07 2zciA1 ALA 544 H -0.62 0.39 0.22 -0.55 8.40 7.85 2zciA1 ALA 544 HA -0.37 0.09 0.36 -0.75 4.34 3.67 2zciA1 ALA 544 HB3 -1.37 0.01 -0.04 -0.04 1.41 -0.04 2zciA1 LYS 545 H 0.13 0.18 0.10 -0.55 8.42 8.28 2zciA1 LYS 545 HA -0.02 0.19 0.78 -0.75 4.32 4.51 2zciA1 LYS 545 HB2 0.08 -0.11 -0.08 -0.04 1.87 1.72 2zciA1 LYS 545 HB3 0.04 0.01 0.05 -0.04 1.79 1.85 2zciA1 LYS 545 HG2 0.09 0.03 -0.09 -0.04 1.46 1.45 2zciA1 LYS 545 HG3 0.16 0.04 -0.09 -0.04 1.46 1.53 2zciA1 LYS 545 HD2 0.07 -0.00 -0.07 -0.04 1.69 1.65 2zciA1 LYS 545 HD3 0.06 0.03 -0.06 -0.04 1.68 1.67 2zciA1 LYS 545 HE2 0.10 -0.23 -0.13 -0.04 2.99 2.69 2zciA1 LYS 545 HE3 0.08 0.01 -0.04 -0.04 2.99 3.01 2zciA1 ALA 546 H -0.03 0.21 0.04 -0.55 8.40 8.07 2zciA1 ALA 546 HA -0.08 0.12 0.07 -0.75 4.34 3.69 2zciA1 ALA 546 HB3 -0.01 0.01 -0.06 -0.04 1.41 1.31 2zciA1 GLU 547 H 0.02 0.04 -0.30 -0.55 8.60 7.81 2zciA1 GLU 547 HA 0.04 0.05 0.27 -0.75 4.29 3.90 2zciA1 GLU 547 HB2 0.04 0.03 0.04 -0.04 2.09 2.16 2zciA1 GLU 547 HB3 0.04 -0.08 0.02 -0.04 1.99 1.93 2zciA1 GLU 547 HG2 0.08 0.16 -0.72 -0.04 2.34 1.82 2zciA1 GLU 547 HG3 0.06 0.04 -0.17 -0.04 2.34 2.23 2zciA1 ASP 548 H 0.08 0.38 -0.55 -0.55 8.40 7.77 2zciA1 ASP 548 HA 0.14 0.17 0.69 -0.75 4.63 4.87 2zciA1 ASP 548 HB2 0.30 0.04 0.06 -0.04 2.71 3.07 2zciA1 ASP 548 HB3 0.43 0.04 0.11 -0.04 2.70 3.23 2zciA1 LEU 549 H 0.07 0.32 -0.42 -0.55 8.37 7.80 2zciA1 LEU 549 HA 0.14 0.25 0.69 -0.75 4.35 4.67 2zciA1 LEU 549 HB2 -0.02 0.21 0.08 -0.04 1.64 1.87 2zciA1 LEU 549 HB3 0.04 -0.72 0.23 -0.04 1.64 1.15 2zciA1 LEU 549 HG -0.14 0.02 -0.14 -0.04 1.64 1.34 2zciA1 LEU 549 HD13 -0.33 0.04 -0.23 -0.04 0.93 0.37 2zciA1 LEU 549 HD23 -0.28 -0.03 -0.09 -0.04 0.89 0.44 2zciA1 ASP 550 H 0.10 0.05 0.07 -0.55 8.40 8.07 2zciA1 ASP 550 HA 0.12 0.00 0.34 -0.75 4.63 4.33 2zciA1 ASP 550 HB2 0.07 0.18 -0.01 -0.04 2.71 2.90 2zciA1 ASP 550 HB3 0.05 -0.59 0.40 -0.04 2.70 2.53 2zciA1 LEU 551 H 0.05 0.00 0.25 -0.55 8.37 8.13 2zciA1 LEU 551 HA 0.05 0.05 0.36 -0.75 4.35 4.06 2zciA1 LEU 551 HB2 0.02 0.06 -0.25 -0.04 1.64 1.43 2zciA1 LEU 551 HB3 0.04 0.01 0.16 -0.04 1.64 1.82 2zciA1 LEU 551 HG 0.07 -0.06 0.15 -0.04 1.64 1.76 2zciA1 LEU 551 HD13 0.04 -0.02 -0.25 -0.04 0.93 0.67 2zciA1 LEU 551 HD23 0.09 -0.02 0.05 -0.04 0.89 0.97 2zciA1 ASP 552 H 0.04 -0.09 0.18 -0.55 8.40 7.98 2zciA1 ASP 552 HA 0.02 -0.10 0.44 -0.75 4.63 4.24 2zciA1 ASP 552 HB2 0.02 0.45 0.26 -0.04 2.71 3.40 2zciA1 ASP 552 HB3 0.01 -0.06 0.12 -0.04 2.70 2.73 2zciA1 GLY 553 H -0.00 0.07 0.12 -0.55 8.43 8.07 2zciA1 GLY 553 HA2 -0.01 0.02 0.37 -0.51 4.01 3.88 2zciA1 GLY 553 HA3 -0.01 0.39 0.87 -0.51 4.01 4.74 2zciA1 LEU 554 H -0.02 -0.05 -0.13 -0.55 8.37 7.62 2zciA1 LEU 554 HA -0.09 0.12 -0.13 -0.75 4.35 3.49 2zciA1 LEU 554 HB2 -0.00 -0.13 0.06 -0.04 1.64 1.53 2zciA1 LEU 554 HB3 -0.05 0.07 -0.06 -0.04 1.64 1.57 2zciA1 LEU 554 HG 0.03 -0.06 0.01 -0.04 1.64 1.57 2zciA1 LEU 554 HD13 0.03 0.01 0.02 -0.04 0.93 0.94 2zciA1 LEU 554 HD23 -0.38 0.03 0.06 -0.04 0.89 0.55 2zciA1 ASP 555 H -0.05 -0.14 -0.72 -0.55 8.40 6.95 2zciA1 ASP 555 HA -0.04 -0.04 0.35 -0.75 4.63 4.14 2zciA1 ASP 555 HB2 -0.07 0.10 0.07 -0.04 2.71 2.77 2zciA1 ASP 555 HB3 -0.10 0.12 0.42 -0.04 2.70 3.10 2zciA1 THR 556 H -0.03 -0.03 -0.05 -0.55 8.28 7.63 2zciA1 THR 556 HA -0.02 -0.04 0.21 -0.75 4.39 3.79 2zciA1 THR 556 HB -0.04 0.38 -0.52 -0.04 4.32 4.10 2zciA1 THR 556 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.08 2zciA1 PRO 557 HA 0.01 0.07 0.92 -0.51 4.44 4.93 2zciA1 PRO 557 HB2 0.05 -0.12 0.08 -0.04 2.28 2.25 2zciA1 PRO 557 HB3 0.06 0.11 0.17 -0.04 2.02 2.32 2zciA1 PRO 557 HG2 -0.18 -0.01 0.05 -0.04 2.03 1.86 2zciA1 PRO 557 HG3 -0.08 0.09 0.02 -0.04 2.03 2.01 2zciA1 PRO 557 HD2 -0.08 -0.18 -0.44 -0.04 3.68 2.94 2zciA1 PRO 557 HD3 -0.10 0.81 -0.14 -0.04 3.65 4.18 2zciA1 ILE 558 H 0.02 0.00 0.21 -0.55 8.25 7.93 2zciA1 ILE 558 HA 0.02 0.11 0.56 -0.75 4.18 4.13 2zciA1 ILE 558 HB 0.03 -0.08 -0.44 -0.04 1.89 1.35 2zciA1 ILE 558 HG12 0.02 0.03 -0.01 -0.04 1.49 1.48 2zciA1 ILE 558 HG13 0.01 0.08 0.07 -0.04 1.21 1.34 2zciA1 ILE 558 HG23 0.02 0.01 0.01 -0.04 0.93 0.93 2zciA1 ILE 558 HD13 0.02 -0.01 0.27 -0.04 0.88 1.11 2zciA1 GLU 559 H 0.03 0.20 0.02 -0.55 8.60 8.31 2zciA1 GLU 559 HA 0.05 0.01 0.58 -0.75 4.29 4.17 2zciA1 GLU 559 HB2 0.02 0.07 0.15 -0.04 2.09 2.29 2zciA1 GLU 559 HB3 0.02 -0.03 0.13 -0.04 1.99 2.07 2zciA1 GLU 559 HG2 0.03 -0.04 0.13 -0.04 2.34 2.41 2zciA1 GLU 559 HG3 0.02 0.07 0.05 -0.04 2.34 2.44 2zciA1 ASP 560 H 0.05 1.11 -0.19 -0.55 8.40 8.82 2zciA1 ASP 560 HA 0.04 0.04 0.44 -0.75 4.63 4.39 2zciA1 ASP 560 HB2 0.07 0.16 0.27 -0.04 2.71 3.17 2zciA1 ASP 560 HB3 0.08 0.06 0.01 -0.04 2.70 2.81 2zciA1 VAL 561 H 0.11 0.36 0.24 -0.55 8.24 8.40 2zciA1 VAL 561 HA 0.10 0.13 0.52 -0.75 4.13 4.13 2zciA1 VAL 561 HB 0.06 -0.11 0.02 -0.04 2.12 2.05 2zciA1 VAL 561 HG13 -0.03 0.01 -0.09 -0.04 0.97 0.83 2zciA1 VAL 561 HG23 0.25 0.06 0.05 -0.04 0.95 1.27 2zciA1 LYS 562 H 0.02 0.03 -0.51 -0.55 8.42 7.42 2zciA1 LYS 562 HA -0.02 0.05 0.27 -0.75 4.32 3.86 2zciA1 LYS 562 HB2 0.01 0.08 0.04 -0.04 1.87 1.96 2zciA1 LYS 562 HB3 0.00 0.07 -0.10 -0.04 1.79 1.73 2zciA1 LYS 562 HG2 -0.00 -0.10 -0.00 -0.04 1.46 1.31 2zciA1 LYS 562 HG3 0.01 0.02 0.02 -0.04 1.46 1.47 2zciA1 LYS 562 HD2 -0.00 0.01 0.01 -0.04 1.69 1.66 2zciA1 LYS 562 HD3 0.01 -0.01 0.01 -0.04 1.68 1.64 2zciA1 LYS 562 HE2 0.01 0.02 -0.02 -0.04 2.99 2.95 2zciA1 LYS 562 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2zciA1 GLU 563 H 0.02 0.11 -0.30 -0.55 8.60 7.88 2zciA1 GLU 563 HA 0.01 0.04 0.39 -0.75 4.29 3.98 2zciA1 GLU 563 HB2 0.02 -0.04 0.12 -0.04 2.09 2.15 2zciA1 GLU 563 HB3 0.02 0.06 0.02 -0.04 1.99 2.05 2zciA1 GLU 563 HG2 0.01 0.01 0.05 -0.04 2.34 2.36 2zciA1 GLU 563 HG3 0.01 -0.03 0.03 -0.04 2.34 2.32 2zciA1 ALA 564 H 0.03 0.38 -0.12 -0.55 8.40 8.14 2zciA1 ALA 564 HA 0.01 0.07 0.36 -0.75 4.34 4.02 2zciA1 ALA 564 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 2zciA1 LEU 565 H -0.04 0.34 -0.69 -0.55 8.37 7.43 2zciA1 LEU 565 HA -0.11 -0.13 0.63 -0.75 4.35 3.99 2zciA1 LEU 565 HB2 -0.08 0.05 0.10 -0.04 1.64 1.67 2zciA1 LEU 565 HB3 -0.12 0.06 0.13 -0.04 1.64 1.67 2zciA1 LEU 565 HG -0.18 0.09 -0.08 -0.04 1.64 1.43 2zciA1 LEU 565 HD13 -0.18 0.03 -0.23 -0.04 0.93 0.51 2zciA1 LEU 565 HD23 -0.33 -0.02 0.02 -0.04 0.89 0.52 2zciA1 THR 566 H -0.01 0.30 -0.15 -0.55 8.28 7.87 2zciA1 THR 566 HA 0.01 -0.02 0.59 -0.75 4.39 4.21 2zciA1 THR 566 HB 0.01 0.09 0.23 -0.04 4.32 4.60 2zciA1 THR 566 HG23 0.02 0.04 -0.01 -0.04 1.22 1.23 2zciA1 ALA 567 H 0.04 0.07 0.02 -0.55 8.40 7.99 2zciA1 ALA 567 HA 0.29 0.42 0.79 -0.75 4.34 5.09 2zciA1 ALA 567 HB3 -0.01 -0.01 0.11 -0.04 1.41 1.47 2zciA1 PRO 568 HA 0.08 0.07 0.38 -0.51 4.44 4.45 2zciA1 PRO 568 HB2 0.07 -0.17 0.15 -0.04 2.28 2.29 2zciA1 PRO 568 HB3 0.05 0.06 0.14 -0.04 2.02 2.23 2zciA1 PRO 568 HG2 0.04 0.05 0.07 -0.04 2.03 2.14 2zciA1 PRO 568 HG3 0.05 0.07 0.05 -0.04 2.03 2.15 2zciA1 PRO 568 HD2 0.13 0.03 0.14 -0.04 3.68 3.93 2zciA1 PRO 568 HD3 0.10 0.29 -0.31 -0.04 3.65 3.69 2zciA1 ALA 569 H 0.07 0.19 0.28 -0.55 8.40 8.39 2zciA1 ALA 569 HA 0.20 0.12 0.53 -0.75 4.34 4.43 2zciA1 ALA 569 HB3 0.03 0.09 0.21 -0.04 1.41 1.69 2zciA1 GLU 570 H 0.07 0.03 -0.22 -0.55 8.60 7.94 2zciA1 GLU 570 HA 0.05 0.18 0.59 -0.75 4.29 4.35 2zciA1 GLU 570 HB2 0.03 -0.04 0.10 -0.04 2.09 2.13 2zciA1 GLU 570 HB3 0.02 0.04 -0.06 -0.04 1.99 1.95 2zciA1 GLU 570 HG2 0.02 0.03 0.03 -0.04 2.34 2.38 2zciA1 GLU 570 HG3 0.01 0.01 0.01 -0.04 2.34 2.32 2zciA1 GLN 571 H 0.07 0.13 -0.16 -0.55 8.47 7.97 2zciA1 GLN 571 HA -0.04 0.08 0.33 -0.75 4.36 3.97 2zciA1 GLN 571 HB2 0.01 0.19 0.16 -0.04 2.15 2.47 2zciA1 GLN 571 HB3 -0.16 0.02 -0.00 -0.04 2.02 1.84 2zciA1 GLN 571 HG2 -0.06 0.04 0.01 -0.04 2.40 2.35 2zciA1 GLN 571 HG3 -0.01 -0.07 0.02 -0.04 2.39 2.28 2zciA1 GLN 571 HE21 -0.01 0.04 0.04 -0.04 6.97 6.99 2zciA1 GLN 571 HE22 -0.02 0.01 0.01 -0.04 7.69 7.66 2zciA1 TRP 572 H 0.26 0.33 -0.17 -0.55 7.97 7.85 2zciA1 TRP 572 HA -0.01 0.06 0.35 -0.75 4.62 4.27 2zciA1 TRP 572 HB2 -0.02 0.00 0.08 -0.04 3.23 3.25 2zciA1 TRP 572 HB3 -0.02 0.04 -0.09 -0.04 3.23 3.12 2zciA1 TRP 572 HD1 -0.03 0.11 -0.28 -0.04 7.22 6.99 2zciA1 TRP 572 HE1 -0.04 0.34 0.03 -0.04 10.20 10.49 2zciA1 TRP 572 HE3 -0.00 -0.02 -0.10 -0.04 7.59 7.42 2zciA1 TRP 572 HZ2 -0.05 0.03 -0.10 -0.04 7.44 7.28 2zciA1 TRP 572 HZ3 0.01 0.01 -0.11 -0.04 7.13 7.00 2zciA1 TRP 572 HH2 -0.04 0.03 -0.11 -0.04 7.19 7.03 2zciA1 ALA 573 H 0.17 0.45 -0.24 -0.55 8.40 8.23 2zciA1 ALA 573 HA 0.10 0.02 0.45 -0.75 4.34 4.15 2zciA1 ALA 573 HB3 0.05 0.03 0.12 -0.04 1.41 1.57 2zciA1 ASN 574 H 0.03 0.37 -0.52 -0.55 8.53 7.86 2zciA1 ASN 574 HA 0.01 0.02 0.58 -0.75 4.76 4.61 2zciA1 ASN 574 HB2 -0.02 0.14 0.22 -0.04 2.88 3.18 2zciA1 ASN 574 HB3 -0.06 0.02 -0.03 -0.04 2.79 2.69 2zciA1 ASN 574 HD21 -0.01 -0.06 0.00 -0.04 7.03 6.92 2zciA1 ASN 574 HD22 0.00 0.08 0.01 -0.04 7.74 7.79 2zciA1 ASP 575 H -0.02 0.43 -0.22 -0.55 8.40 8.04 2zciA1 ASP 575 HA -0.04 0.09 0.49 -0.75 4.63 4.42 2zciA1 ASP 575 HB2 -0.10 0.17 0.04 -0.04 2.71 2.78 2zciA1 ASP 575 HB3 -0.10 -0.08 0.07 -0.04 2.70 2.55 2zciA1 VAL 576 H 0.08 0.33 -0.54 -0.55 8.24 7.56 2zciA1 VAL 576 HA 0.26 0.04 0.22 -0.75 4.13 3.90 2zciA1 VAL 576 HB 0.08 0.10 0.13 -0.04 2.12 2.39 2zciA1 VAL 576 HG13 0.07 -0.02 -0.11 -0.04 0.97 0.88 2zciA1 VAL 576 HG23 0.08 0.03 0.04 -0.04 0.95 1.07 2zciA1 GLU 577 H 0.08 0.25 -0.10 -0.55 8.60 8.28 2zciA1 GLU 577 HA 0.11 0.03 0.38 -0.75 4.29 4.05 2zciA1 GLU 577 HB2 0.05 -0.00 0.10 -0.04 2.09 2.20 2zciA1 GLU 577 HB3 0.04 0.09 0.14 -0.04 1.99 2.22 2zciA1 GLU 577 HG2 0.03 0.02 -0.01 -0.04 2.34 2.34 2zciA1 GLU 577 HG3 0.04 0.06 -0.27 -0.04 2.34 2.12 2zciA1 ASP 578 H 0.05 0.19 -0.14 -0.55 8.40 7.96 2zciA1 ASP 578 HA 0.05 0.08 0.45 -0.75 4.63 4.45 2zciA1 ASP 578 HB2 0.02 0.09 0.08 -0.04 2.71 2.86 2zciA1 ASP 578 HB3 0.05 0.18 0.05 -0.04 2.70 2.95 2zciA1 ASN 579 H 0.12 0.52 -0.19 -0.55 8.53 8.44 2zciA1 ASN 579 HA 0.05 0.03 0.41 -0.75 4.76 4.50 2zciA1 ASN 579 HB2 0.30 0.08 0.12 -0.04 2.88 3.34 2zciA1 ASN 579 HB3 -0.04 -0.05 -0.01 -0.04 2.79 2.66 2zciA1 ASN 579 HD21 0.01 -0.06 -0.07 -0.04 7.03 6.87 2zciA1 ASN 579 HD22 0.26 -0.04 -0.18 -0.04 7.74 7.74 2zciA1 ALA 580 H 0.17 0.70 0.02 -0.55 8.40 8.74 2zciA1 ALA 580 HA -0.34 -0.03 0.41 -0.75 4.34 3.63 2zciA1 ALA 580 HB3 0.26 0.02 0.10 -0.04 1.41 1.74 2zciA1 GLU 581 H 0.03 0.58 -0.23 -0.55 8.60 8.43 2zciA1 GLU 581 HA 0.00 -0.00 0.52 -0.75 4.29 4.06 2zciA1 GLU 581 HB2 0.02 0.20 0.18 -0.04 2.09 2.45 2zciA1 GLU 581 HB3 -0.00 -0.06 0.02 -0.04 1.99 1.90 2zciA1 GLU 581 HG2 0.01 -0.07 0.04 -0.04 2.34 2.28 2zciA1 GLU 581 HG3 0.03 0.06 0.04 -0.04 2.34 2.43 2zciA1 TYR 582 H 0.02 0.46 -0.15 -0.55 8.29 8.07 2zciA1 TYR 582 HA -0.11 0.04 0.59 -0.75 4.56 4.32 2zciA1 TYR 582 HB2 -0.52 0.11 0.14 -0.04 3.06 2.74 2zciA1 TYR 582 HB3 -0.36 0.07 0.11 -0.04 2.98 2.77 2zciA1 TYR 582 HD2 -0.38 0.02 -0.10 -0.04 7.15 6.64 2zciA1 TYR 582 HE2 -0.20 0.04 0.01 -0.04 6.85 6.66 2zciA1 LEU 583 H -0.12 0.58 -0.04 -0.55 8.37 8.24 2zciA1 LEU 583 HA -0.14 0.02 0.50 -0.75 4.35 3.98 2zciA1 LEU 583 HB2 -0.16 0.08 0.04 -0.04 1.64 1.56 2zciA1 LEU 583 HB3 -0.12 -0.07 -0.06 -0.04 1.64 1.35 2zciA1 LEU 583 HG -0.31 0.19 0.01 -0.04 1.64 1.49 2zciA1 LEU 583 HD13 -0.58 -0.02 -0.10 -0.04 0.93 0.18 2zciA1 LEU 583 HD23 -0.15 -0.01 -0.07 -0.04 0.89 0.62 2zciA1 THR 584 H -0.04 0.38 -0.27 -0.55 8.28 7.80 2zciA1 THR 584 HA 0.00 0.02 0.57 -0.75 4.39 4.23 2zciA1 THR 584 HB -0.01 0.15 0.21 -0.04 4.32 4.64 2zciA1 THR 584 HG23 -0.01 -0.02 -0.11 -0.04 1.22 1.04 2zciA1 PHE 585 H -0.01 0.72 0.00 -0.55 8.34 8.51 2zciA1 PHE 585 HA -0.16 -0.04 0.44 -0.75 4.62 4.11 2zciA1 PHE 585 HB2 -0.22 -0.03 0.16 -0.04 3.15 3.02 2zciA1 PHE 585 HB3 -0.55 0.11 0.29 -0.04 3.06 2.88 2zciA1 PHE 585 HD2 -0.67 0.01 0.01 -0.04 7.28 6.60 2zciA1 PHE 585 HE2 -0.16 -0.02 -0.01 -0.04 7.38 7.15 2zciA1 PHE 585 HZ -0.09 0.14 -0.01 -0.04 7.32 7.32 2zciA1 LEU 586 H -0.29 0.37 -0.39 -0.55 8.37 7.51 2zciA1 LEU 586 HA -0.63 -0.01 0.32 -0.75 4.35 3.28 2zciA1 LEU 586 HB2 -0.22 0.13 0.13 -0.04 1.64 1.65 2zciA1 LEU 586 HB3 -0.20 -0.19 0.04 -0.04 1.64 1.25 2zciA1 LEU 586 HG -0.44 0.16 0.03 -0.04 1.64 1.34 2zciA1 LEU 586 HD13 -0.02 -0.01 0.00 -0.04 0.93 0.86 2zciA1 LEU 586 HD23 -0.15 -0.03 -0.01 -0.04 0.89 0.66 2zciA1 GLY 587 H -0.16 0.38 -0.33 -0.55 8.43 7.77 2zciA1 GLY 587 HA2 -0.13 0.14 0.25 -0.51 4.01 3.75 2zciA1 GLY 587 HA3 -0.16 0.01 0.35 -0.51 4.01 3.70 2zciA1 PRO 588 HA -0.00 0.17 0.53 -0.51 4.44 4.63 2zciA1 PRO 588 HB2 -0.02 0.02 0.09 -0.04 2.28 2.32 2zciA1 PRO 588 HB3 -0.03 0.03 0.13 -0.04 2.02 2.11 2zciA1 PRO 588 HG2 -0.05 0.01 0.02 -0.04 2.03 1.97 2zciA1 PRO 588 HG3 -0.05 0.03 0.07 -0.04 2.03 2.04 2zciA1 PRO 588 HD2 -0.10 0.11 0.23 -0.04 3.68 3.89 2zciA1 PRO 588 HD3 -0.07 0.15 0.17 -0.04 3.65 3.86 2zciA1 ARG 589 H -0.04 0.06 -0.31 -0.55 8.46 7.62 2zciA1 ARG 589 HA 0.01 0.21 0.77 -0.75 4.34 4.58 2zciA1 ARG 589 HB2 -0.01 -0.17 -0.14 -0.04 1.90 1.53 2zciA1 ARG 589 HB3 0.02 0.03 -0.09 -0.04 1.80 1.72 2zciA1 ARG 589 HG2 -0.00 0.10 -0.13 -0.04 1.67 1.59 2zciA1 ARG 589 HG3 -0.03 -0.02 -0.09 -0.04 1.67 1.49 2zciA1 ARG 589 HD2 0.02 -0.05 0.02 -0.04 3.22 3.16 2zciA1 ARG 589 HD3 0.03 0.03 0.01 -0.04 3.22 3.24 2zciA1 VAL 590 H -0.03 0.18 -0.16 -0.55 8.24 7.69 2zciA1 VAL 590 HA -0.06 0.07 0.64 -0.75 4.13 4.02 2zciA1 VAL 590 HB 0.03 0.07 0.06 -0.04 2.12 2.23 2zciA1 VAL 590 HG13 -0.40 0.00 -0.08 -0.04 0.97 0.45 2zciA1 VAL 590 HG23 -0.11 0.05 -0.05 -0.04 0.95 0.81 2zciA1 PRO 591 HA 0.04 0.15 0.33 -0.51 4.44 4.45 2zciA1 PRO 591 HB2 0.02 -0.20 0.06 -0.04 2.28 2.12 2zciA1 PRO 591 HB3 0.05 0.04 0.14 -0.04 2.02 2.21 2zciA1 PRO 591 HG2 0.04 0.09 -0.22 -0.04 2.03 1.90 2zciA1 PRO 591 HG3 0.04 0.14 0.10 -0.04 2.03 2.27 2zciA1 PRO 591 HD2 -0.06 0.01 0.15 -0.04 3.68 3.73 2zciA1 PRO 591 HD3 -0.02 0.35 0.34 -0.04 3.65 4.28 2zciA1 ALA 592 H 0.08 0.23 0.19 -0.55 8.40 8.35 2zciA1 ALA 592 HA 0.24 0.11 0.47 -0.75 4.34 4.40 2zciA1 ALA 592 HB3 0.08 0.03 0.06 -0.04 1.41 1.53 2zciA1 GLU 593 H 0.06 0.11 -0.17 -0.55 8.60 8.06 2zciA1 GLU 593 HA 0.07 0.09 0.50 -0.75 4.29 4.19 2zciA1 GLU 593 HB2 0.06 -0.01 0.03 -0.04 2.09 2.13 2zciA1 GLU 593 HB3 0.08 0.05 -0.05 -0.04 1.99 2.02 2zciA1 GLU 593 HG2 0.09 0.05 0.00 -0.04 2.34 2.44 2zciA1 GLU 593 HG3 0.07 0.01 0.02 -0.04 2.34 2.40 2zciA1 VAL 594 H -0.03 0.32 -0.47 -0.55 8.24 7.51 2zciA1 VAL 594 HA -0.01 0.07 0.36 -0.75 4.13 3.79 2zciA1 VAL 594 HB -0.24 0.17 0.06 -0.04 2.12 2.07 2zciA1 VAL 594 HG13 -0.16 -0.00 -0.09 -0.04 0.97 0.68 2zciA1 VAL 594 HG23 -0.07 -0.02 -0.07 -0.04 0.95 0.76 2zciA1 HIS 595 H -0.15 0.40 -0.07 -0.55 8.41 8.05 2zciA1 HIS 595 HA 0.12 0.04 0.43 -0.75 4.63 4.46 2zciA1 HIS 595 HB2 0.05 0.04 0.12 -0.04 3.26 3.43 2zciA1 HIS 595 HB3 0.07 -0.03 0.01 -0.04 3.20 3.21 2zciA1 HIS 595 HD2 0.01 -0.04 -0.24 -0.04 6.97 6.65 2zciA1 HIS 595 HE1 -0.05 0.08 -0.21 -0.04 7.75 7.53 2zciA1 SER 596 H 0.13 0.67 -0.24 -0.55 8.46 8.47 2zciA1 SER 596 HA 0.10 0.01 0.43 -0.75 4.49 4.28 2zciA1 SER 596 HB2 0.06 -0.05 0.08 -0.04 3.95 3.99 2zciA1 SER 596 HB3 0.08 0.00 0.08 -0.04 3.93 4.05 2zciA1 GLN 597 H 0.09 0.44 -0.28 -0.55 8.47 8.16 2zciA1 GLN 597 HA 0.04 -0.00 0.38 -0.75 4.36 4.02 2zciA1 GLN 597 HB2 0.09 0.15 0.15 -0.04 2.15 2.49 2zciA1 GLN 597 HB3 0.11 -0.03 0.01 -0.04 2.02 2.07 2zciA1 GLN 597 HG2 0.08 0.08 -0.03 -0.04 2.40 2.49 2zciA1 GLN 597 HG3 0.10 0.14 -0.21 -0.04 2.39 2.38 2zciA1 GLN 597 HE21 0.09 -0.00 -0.08 -0.04 6.97 6.94 2zciA1 GLN 597 HE22 0.09 0.03 -0.12 -0.04 7.69 7.64 2zciA1 PHE 598 H 0.23 0.44 -0.20 -0.55 8.34 8.25 2zciA1 PHE 598 HA 0.03 0.07 0.59 -0.75 4.62 4.55 2zciA1 PHE 598 HB2 0.03 0.06 0.08 -0.04 3.15 3.27 2zciA1 PHE 598 HB3 0.07 0.08 0.15 -0.04 3.06 3.32 2zciA1 PHE 598 HD2 0.07 0.02 -0.05 -0.04 7.28 7.29 2zciA1 PHE 598 HE2 0.08 0.00 -0.04 -0.04 7.38 7.38 2zciA1 PHE 598 HZ 0.07 0.16 0.07 -0.04 7.32 7.58 2zciA1 ASP 599 H 0.13 0.58 -0.05 -0.55 8.40 8.51 2zciA1 ASP 599 HA -0.13 0.00 0.49 -0.75 4.63 4.24 2zciA1 ASP 599 HB2 0.03 0.19 0.17 -0.04 2.71 3.06 2zciA1 ASP 599 HB3 -0.01 -0.05 -0.03 -0.04 2.70 2.57 2zciA1 ALA 600 H -0.01 0.56 -0.07 -0.55 8.40 8.34 2zciA1 ALA 600 HA -0.04 -0.01 0.53 -0.75 4.34 4.06 2zciA1 ALA 600 HB3 -0.02 0.03 0.11 -0.04 1.41 1.48 2zciA1 LEU 601 H -0.10 0.39 -0.35 -0.55 8.37 7.76 2zciA1 LEU 601 HA -0.15 0.05 0.37 -0.75 4.35 3.87 2zciA1 LEU 601 HB2 -0.04 0.03 0.10 -0.04 1.64 1.69 2zciA1 LEU 601 HB3 -0.15 0.11 0.22 -0.04 1.64 1.78 2zciA1 LEU 601 HG -0.07 -0.03 -0.29 -0.04 1.64 1.21 2zciA1 LEU 601 HD13 -0.23 -0.01 -0.08 -0.04 0.93 0.57 2zciA1 LEU 601 HD23 0.30 -0.01 -0.06 -0.04 0.89 1.07 2zciA1 LYS 602 H -0.37 0.70 0.02 -0.55 8.42 8.22 2zciA1 LYS 602 HA -0.17 -0.02 0.43 -0.75 4.32 3.81 2zciA1 LYS 602 HB2 -0.22 0.04 0.14 -0.04 1.87 1.79 2zciA1 LYS 602 HB3 -0.15 -0.07 0.03 -0.04 1.79 1.55 2zciA1 LYS 602 HG2 -0.43 -0.06 0.02 -0.04 1.46 0.96 2zciA1 LYS 602 HG3 -1.06 0.23 0.04 -0.04 1.46 0.63 2zciA1 LYS 602 HD2 -0.11 -0.04 -0.02 -0.04 1.69 1.48 2zciA1 LYS 602 HD3 -0.15 -0.02 -0.04 -0.04 1.68 1.43 2zciA1 LYS 602 HE2 -0.29 0.01 -0.13 -0.04 2.99 2.54 2zciA1 LYS 602 HE3 -0.14 0.01 0.01 -0.04 2.99 2.84 2zciA1 ALA 603 H -0.11 0.61 -0.17 -0.55 8.40 8.19 2zciA1 ALA 603 HA -0.05 -0.07 0.48 -0.75 4.34 3.95 2zciA1 ALA 603 HB3 -0.05 0.03 0.11 -0.04 1.41 1.46 2zciA1 ARG 604 H -0.08 0.60 -0.03 -0.55 8.46 8.40 2zciA1 ARG 604 HA -0.05 -0.03 0.37 -0.75 4.34 3.87 2zciA1 ARG 604 HB2 -0.14 0.10 0.15 -0.04 1.90 1.98 2zciA1 ARG 604 HB3 -0.10 -0.08 0.07 -0.04 1.80 1.65 2zciA1 ARG 604 HG2 -0.03 -0.11 0.02 -0.04 1.67 1.51 2zciA1 ARG 604 HG3 -0.07 0.30 0.07 -0.04 1.67 1.93 2zciA1 ARG 604 HD2 -0.03 0.01 0.01 -0.04 3.22 3.16 2zciA1 ARG 604 HD3 0.07 -0.11 -0.04 -0.04 3.22 3.10 2zciA1 ILE 605 H -0.09 0.44 -0.25 -0.55 8.25 7.80 2zciA1 ILE 605 HA -0.06 -0.00 0.45 -0.75 4.18 3.82 2zciA1 ILE 605 HB -0.02 0.08 0.09 -0.04 1.89 2.00 2zciA1 ILE 605 HG12 0.02 -0.14 -0.07 -0.04 1.49 1.25 2zciA1 ILE 605 HG13 -0.12 0.13 -0.03 -0.04 1.21 1.15 2zciA1 ILE 605 HG23 0.07 -0.03 -0.10 -0.04 0.93 0.83 2zciA1 ILE 605 HD13 0.15 -0.01 -0.24 -0.04 0.88 0.74 2zciA1 SER 606 H -0.03 0.40 -0.04 -0.55 8.46 8.24 2zciA1 SER 606 HA -0.01 0.06 0.59 -0.75 4.49 4.38 2zciA1 SER 606 HB2 -0.02 0.04 0.08 -0.04 3.95 4.01 2zciA1 SER 606 HB3 -0.01 -0.09 0.08 -0.04 3.93 3.87