REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2du6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFDPQKYRE LAEKDFEAAW KAGKEILAER SPNELYPRVG FSFGKEHPLF DATA SEQUENCE ATIQRLREAY LSIGFSEVVN PLIVEDVHVK KQFGREALAV LDRCFYLATL DATA SEQUENCE PKPNXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXLKPISST LTLRSHMTTG WFITLSHIAD DATA SEQUENCE KLPLPIKLFS IDRCFRREQG EDATRLYTYF SASCVLVDEE LSVDDGKAVA DATA SEQUENCE EALLRQFGFE NFRFRKDEKR SKYYIPDTQT EVFAFHPKLV GSSTKYSDGW DATA SEQUENCE IEIATFGIYS PTALAEYDIP YPVMNLGLGV ERLAMILYGY DDVRKMVYPQ DATA SEQUENCE IHGEIKLSDL DIAREIKVKE VPQTAVGLKI AQSIVETAEK HASEPSPCSF DATA SEQUENCE LAFEGEMMGR NVRVYVVNEN ENTKLCGPAY ANEVVVYKGD IYGIPKTKKW DATA SEQUENCE RSFFEEGVPT GIRYIDGFAY YAARKVEEAA MREQEEVKVK ARIVENLSDI DATA SEQUENCE NLYIHENVRR YILWKKGKID VRGPLFVTVK AEIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.057 0.000 1.140 1 M CA 0.000 55.331 55.300 0.052 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 2.415 122.809 120.400 -0.010 0.000 2.419 2 K HA 0.315 4.636 4.320 0.001 0.000 0.282 2 K C -1.111 175.467 176.600 -0.037 0.000 1.056 2 K CA -0.056 56.161 56.287 -0.117 0.000 1.035 2 K CB 0.198 32.630 32.500 -0.114 0.000 0.921 2 K HN 0.524 nan 8.250 nan 0.000 0.472 3 F N 1.314 121.277 119.950 0.021 0.000 2.362 3 F HA 0.411 4.939 4.527 0.001 0.000 0.340 3 F C 0.041 175.898 175.800 0.096 0.000 1.088 3 F CA -1.284 56.762 58.000 0.076 0.000 1.096 3 F CB 0.319 39.338 39.000 0.032 0.000 1.486 3 F HN 0.317 nan 8.300 nan 0.000 0.500 4 D N 0.464 121.203 120.400 0.565 0.000 2.414 4 D HA 0.332 4.973 4.640 0.001 0.000 0.232 4 D C -2.118 174.473 176.300 0.485 0.000 1.070 4 D CA -2.158 52.060 54.000 0.363 0.000 0.839 4 D CB 1.871 42.813 40.800 0.237 0.000 1.079 4 D HN 0.106 nan 8.370 nan 0.000 0.521 5 P HA -0.214 nan 4.420 nan 0.000 0.213 5 P C 1.454 178.909 177.300 0.258 0.000 1.176 5 P CA 1.199 64.501 63.100 0.337 0.000 0.919 5 P CB 0.354 32.169 31.700 0.193 0.000 0.791 6 Q N -0.115 119.792 119.800 0.177 0.000 1.985 6 Q HA -0.237 4.104 4.340 0.001 0.000 0.207 6 Q C 2.056 178.133 176.000 0.129 0.000 0.996 6 Q CA 1.994 57.873 55.803 0.128 0.000 0.851 6 Q CB -0.882 27.910 28.738 0.089 0.000 0.921 6 Q HN 0.019 nan 8.270 nan 0.000 0.418 7 K N -0.189 120.285 120.400 0.124 0.000 2.049 7 K HA -0.217 4.104 4.320 0.001 0.000 0.219 7 K C 2.075 178.685 176.600 0.017 0.000 1.056 7 K CA 2.018 58.340 56.287 0.057 0.000 0.946 7 K CB -0.992 31.540 32.500 0.053 0.000 0.723 7 K HN 0.303 nan 8.250 nan 0.000 0.453 8 Y N 0.142 120.476 120.300 0.057 0.000 2.293 8 Y HA -0.115 4.436 4.550 0.001 0.000 0.291 8 Y C 2.527 178.455 175.900 0.046 0.000 1.137 8 Y CA 1.494 59.602 58.100 0.012 0.000 1.202 8 Y CB -0.078 38.329 38.460 -0.089 0.000 0.990 8 Y HN 0.066 nan 8.280 nan 0.000 0.537 9 R N 0.862 121.490 120.500 0.213 0.000 2.082 9 R HA -0.221 4.120 4.340 0.001 0.000 0.234 9 R C 2.319 178.687 176.300 0.113 0.000 1.136 9 R CA 2.233 58.426 56.100 0.155 0.000 0.935 9 R CB -0.277 30.101 30.300 0.130 0.000 0.842 9 R HN 0.583 nan 8.270 nan 0.000 0.430 10 E N 0.296 120.544 120.200 0.081 0.000 2.047 10 E HA -0.222 4.129 4.350 0.001 0.000 0.191 10 E C 2.165 178.793 176.600 0.047 0.000 0.987 10 E CA 1.182 57.614 56.400 0.053 0.000 0.799 10 E CB -0.620 29.101 29.700 0.035 0.000 0.752 10 E HN 0.361 nan 8.360 nan 0.000 0.449 11 L N 0.891 122.126 121.223 0.019 0.000 2.197 11 L HA -0.227 4.114 4.340 0.001 0.000 0.215 11 L C 2.565 179.472 176.870 0.062 0.000 1.095 11 L CA 1.286 56.118 54.840 -0.013 0.000 0.764 11 L CB -0.308 41.667 42.059 -0.141 0.000 0.897 11 L HN 0.337 nan 8.230 nan 0.000 0.436 12 A N -1.309 121.592 122.820 0.135 0.000 2.123 12 A HA -0.129 4.191 4.320 0.001 0.000 0.214 12 A C 2.090 179.793 177.584 0.199 0.000 1.152 12 A CA 0.967 53.159 52.037 0.259 0.000 0.728 12 A CB -0.168 19.044 19.000 0.355 0.000 0.814 12 A HN 0.335 nan 8.150 nan 0.000 0.464 13 E N 0.550 120.816 120.200 0.109 0.000 2.107 13 E HA -0.090 4.261 4.350 0.001 0.000 0.191 13 E C 1.453 178.092 176.600 0.066 0.000 0.982 13 E CA 1.302 57.743 56.400 0.068 0.000 0.809 13 E CB -0.065 29.661 29.700 0.043 0.000 0.756 13 E HN 0.440 nan 8.360 nan 0.000 0.459 14 K N 0.647 121.087 120.400 0.067 0.000 2.057 14 K HA 0.046 4.366 4.320 0.001 0.000 0.197 14 K C 0.068 176.717 176.600 0.081 0.000 1.055 14 K CA 1.094 57.415 56.287 0.055 0.000 1.028 14 K CB -0.614 31.909 32.500 0.038 0.000 1.289 14 K HN -0.010 nan 8.250 nan 0.000 0.462 15 D N -0.148 120.301 120.400 0.082 0.000 2.347 15 D HA 0.083 4.724 4.640 0.001 0.000 0.235 15 D C 0.400 176.796 176.300 0.159 0.000 1.149 15 D CA -0.257 53.805 54.000 0.104 0.000 0.850 15 D CB 0.228 41.067 40.800 0.066 0.000 1.061 15 D HN 0.124 nan 8.370 nan 0.000 0.487 16 F N 3.588 123.561 119.950 0.037 0.000 2.010 16 F HA -0.136 4.391 4.527 0.001 0.000 0.296 16 F C 1.750 177.623 175.800 0.120 0.000 1.146 16 F CA 1.700 59.733 58.000 0.056 0.000 1.181 16 F CB -0.181 38.827 39.000 0.012 0.000 0.965 16 F HN 0.505 nan 8.300 nan 0.000 0.480 17 E N 0.005 120.156 120.200 -0.081 0.000 2.273 17 E HA -0.213 4.138 4.350 0.001 0.000 0.198 17 E C 2.155 178.777 176.600 0.037 0.000 1.002 17 E CA 0.829 57.191 56.400 -0.062 0.000 0.828 17 E CB -0.404 29.346 29.700 0.084 0.000 0.747 17 E HN 0.518 nan 8.360 nan 0.000 0.491 18 A N 0.981 123.812 122.820 0.019 0.000 2.016 18 A HA 0.087 4.408 4.320 0.001 0.000 0.217 18 A C 2.256 179.827 177.584 -0.020 0.000 1.162 18 A CA 1.220 53.261 52.037 0.008 0.000 0.662 18 A CB -0.099 18.909 19.000 0.013 0.000 0.812 18 A HN 0.270 nan 8.150 nan 0.000 0.450 19 A N -1.753 121.053 122.820 -0.025 0.000 1.984 19 A HA 0.083 4.404 4.320 0.001 0.000 0.214 19 A C 1.845 179.438 177.584 0.015 0.000 1.173 19 A CA 1.064 53.090 52.037 -0.018 0.000 0.673 19 A CB -0.689 18.330 19.000 0.031 0.000 0.830 19 A HN 0.765 nan 8.150 nan 0.000 0.453 20 W N 1.515 122.607 121.300 -0.347 0.000 2.353 20 W HA -0.150 4.511 4.660 0.001 0.000 0.319 20 W C 1.769 178.181 176.519 -0.180 0.000 1.207 20 W CA 2.110 59.225 57.345 -0.384 0.000 1.291 20 W CB -0.247 28.818 29.460 -0.659 0.000 1.159 20 W HN 0.200 nan 8.180 nan 0.000 0.478 21 K N 0.037 120.277 120.400 -0.266 0.000 2.360 21 K HA -0.081 4.240 4.320 0.001 0.000 0.201 21 K C 2.092 178.552 176.600 -0.232 0.000 1.046 21 K CA 1.035 57.081 56.287 -0.401 0.000 0.945 21 K CB -0.464 31.904 32.500 -0.218 0.000 0.750 21 K HN 0.218 nan 8.250 nan 0.000 0.464 22 A N 1.164 123.919 122.820 -0.108 0.000 2.015 22 A HA -0.041 4.280 4.320 0.001 0.000 0.219 22 A C 2.334 179.961 177.584 0.072 0.000 1.163 22 A CA 1.513 53.535 52.037 -0.023 0.000 0.646 22 A CB -0.804 18.173 19.000 -0.037 0.000 0.806 22 A HN 0.400 nan 8.150 nan 0.000 0.448 23 G N 0.095 108.899 108.800 0.008 0.000 2.442 23 G HA2 -0.261 3.700 3.960 0.001 0.000 0.219 23 G HA3 -0.261 3.700 3.960 0.001 0.000 0.219 23 G C 1.517 176.330 174.900 -0.145 0.000 1.141 23 G CA 0.977 46.011 45.100 -0.111 0.000 0.763 23 G HN 0.533 nan 8.290 nan 0.000 0.554 24 K N 0.377 120.664 120.400 -0.189 0.000 2.444 24 K HA -0.172 4.148 4.320 0.001 0.000 0.200 24 K C 2.162 178.719 176.600 -0.071 0.000 1.045 24 K CA 1.129 57.325 56.287 -0.151 0.000 0.934 24 K CB -0.071 32.325 32.500 -0.174 0.000 0.756 24 K HN 0.592 nan 8.250 nan 0.000 0.477 25 E N 1.417 121.602 120.200 -0.025 0.000 2.274 25 E HA -0.151 4.199 4.350 0.001 0.000 0.194 25 E C 1.906 178.529 176.600 0.039 0.000 0.996 25 E CA 0.619 57.033 56.400 0.023 0.000 0.840 25 E CB -0.046 29.700 29.700 0.076 0.000 0.772 25 E HN 0.498 nan 8.360 nan 0.000 0.491 26 I N -1.086 119.497 120.570 0.022 0.000 2.761 26 I HA 0.034 4.205 4.170 0.001 0.000 0.261 26 I C 0.592 176.728 176.117 0.032 0.000 1.198 26 I CA 0.007 61.338 61.300 0.052 0.000 1.482 26 I CB -0.188 37.847 38.000 0.059 0.000 1.100 26 I HN -0.119 nan 8.210 nan 0.000 0.445 27 L N 3.050 124.271 121.223 -0.003 0.000 2.499 27 L HA 0.246 4.586 4.340 0.001 0.000 0.273 27 L C 0.894 177.766 176.870 0.002 0.000 1.195 27 L CA -0.280 54.557 54.840 -0.006 0.000 0.882 27 L CB 0.147 42.188 42.059 -0.028 0.000 1.133 27 L HN 0.258 nan 8.230 nan 0.000 0.483 28 A N 3.129 125.952 122.820 0.005 0.000 2.407 28 A HA 0.221 4.542 4.320 0.001 0.000 0.248 28 A C 0.046 177.629 177.584 -0.002 0.000 1.082 28 A CA -0.279 51.761 52.037 0.005 0.000 0.785 28 A CB 0.430 19.432 19.000 0.004 0.000 1.020 28 A HN 0.715 nan 8.150 nan 0.000 0.489 29 E N 1.140 121.338 120.200 -0.002 0.000 2.200 29 E HA 0.360 4.710 4.350 0.001 0.000 0.283 29 E C -0.451 176.144 176.600 -0.009 0.000 1.015 29 E CA -0.268 56.129 56.400 -0.005 0.000 0.819 29 E CB 0.443 30.141 29.700 -0.004 0.000 1.081 29 E HN 0.463 nan 8.360 nan 0.000 0.397 30 R N 2.523 123.017 120.500 -0.010 0.000 2.407 30 R HA 0.315 4.655 4.340 0.001 0.000 0.303 30 R C 0.033 176.315 176.300 -0.029 0.000 0.981 30 R CA -0.590 55.499 56.100 -0.018 0.000 0.905 30 R CB 1.384 31.676 30.300 -0.014 0.000 1.099 30 R HN 0.680 nan 8.270 nan 0.000 0.459 31 S N 2.568 118.238 115.700 -0.050 0.000 2.641 31 S HA 0.215 4.686 4.470 0.001 0.000 0.261 31 S C -1.482 173.044 174.600 -0.124 0.000 1.257 31 S CA -1.038 57.108 58.200 -0.090 0.000 0.983 31 S CB 0.612 63.755 63.200 -0.096 0.000 0.990 31 S HN 0.266 nan 8.310 nan 0.000 0.572 32 P HA 0.032 nan 4.420 nan 0.000 0.216 32 P C 0.455 177.662 177.300 -0.156 0.000 1.153 32 P CA 1.000 63.942 63.100 -0.263 0.000 0.848 32 P CB 0.011 31.332 31.700 -0.631 0.000 0.787 33 N N -0.708 117.907 118.700 -0.141 0.000 2.313 33 N HA 0.010 4.751 4.740 0.001 0.000 0.207 33 N C 0.738 176.202 175.510 -0.077 0.000 1.141 33 N CA 0.448 53.443 53.050 -0.093 0.000 0.830 33 N CB -0.118 38.331 38.487 -0.063 0.000 1.008 33 N HN 0.359 nan 8.380 nan 0.000 0.481 34 E N -0.312 119.844 120.200 -0.072 0.000 2.511 34 E HA 0.100 4.451 4.350 0.001 0.000 0.209 34 E C -0.297 176.280 176.600 -0.038 0.000 0.986 34 E CA 0.005 56.372 56.400 -0.055 0.000 0.974 34 E CB 0.565 30.235 29.700 -0.049 0.000 1.030 34 E HN 0.130 nan 8.360 nan 0.000 0.490 35 L N -1.117 120.088 121.223 -0.030 0.000 2.358 35 L HA 0.384 4.725 4.340 0.001 0.000 0.268 35 L C -0.009 176.879 176.870 0.030 0.000 1.032 35 L CA -1.371 53.475 54.840 0.010 0.000 0.805 35 L CB -0.390 41.681 42.059 0.020 0.000 1.253 35 L HN -0.147 nan 8.230 nan 0.000 0.452 36 Y N 2.692 122.960 120.300 -0.055 0.000 2.702 36 Y HA 0.224 4.774 4.550 0.001 0.000 0.336 36 Y C -1.599 174.277 175.900 -0.039 0.000 1.235 36 Y CA -0.967 57.101 58.100 -0.052 0.000 1.492 36 Y CB 0.531 38.966 38.460 -0.041 0.000 1.308 36 Y HN 0.552 nan 8.280 nan 0.000 0.589 37 P HA 0.270 nan 4.420 nan 0.000 0.250 37 P C -0.136 176.908 177.300 -0.427 0.000 1.808 37 P CA 0.050 62.540 63.100 -1.016 0.000 1.117 37 P CB 0.275 31.171 31.700 -1.341 0.000 1.602 38 R N 0.325 120.685 120.500 -0.233 0.000 2.310 38 R HA 0.167 4.508 4.340 0.001 0.000 0.202 38 R C 0.611 176.834 176.300 -0.128 0.000 0.933 38 R CA 0.305 56.305 56.100 -0.166 0.000 1.054 38 R CB 0.263 30.486 30.300 -0.129 0.000 0.985 38 R HN 0.170 nan 8.270 nan 0.000 0.489 39 V N -3.241 116.607 119.914 -0.111 0.000 2.733 39 V HA 0.943 5.064 4.120 0.001 0.000 0.306 39 V C -0.467 175.580 176.094 -0.078 0.000 1.084 39 V CA -0.843 61.399 62.300 -0.097 0.000 0.905 39 V CB 1.785 33.553 31.823 -0.092 0.000 1.010 39 V HN 0.076 nan 8.190 nan 0.000 0.424 40 G N 2.680 111.398 108.800 -0.136 0.000 2.632 40 G HA2 0.638 4.599 3.960 0.001 0.000 0.292 40 G HA3 0.638 4.599 3.960 0.001 0.000 0.292 40 G C -1.539 173.278 174.900 -0.138 0.000 1.465 40 G CA -0.743 44.280 45.100 -0.128 0.000 0.824 40 G HN 0.629 nan 8.290 nan 0.000 0.509 41 F N 0.674 120.691 119.950 0.112 0.000 2.399 41 F HA 0.712 5.240 4.527 0.001 0.000 0.313 41 F C 1.176 177.072 175.800 0.159 0.000 1.202 41 F CA -0.010 58.058 58.000 0.113 0.000 1.192 41 F CB 1.533 40.599 39.000 0.109 0.000 1.256 41 F HN 0.403 nan 8.300 nan 0.000 0.558 42 S N -0.280 115.651 115.700 0.386 0.000 2.811 42 S HA 0.879 5.349 4.470 0.001 0.000 0.311 42 S C -1.434 173.391 174.600 0.375 0.000 1.152 42 S CA -0.670 57.673 58.200 0.239 0.000 0.864 42 S CB 2.412 65.637 63.200 0.042 0.000 1.226 42 S HN 0.476 nan 8.310 nan 0.000 0.541 43 F N -1.992 117.987 119.950 0.047 0.000 2.740 43 F HA 0.641 5.168 4.527 0.001 0.000 0.312 43 F C -0.157 175.654 175.800 0.017 0.000 1.121 43 F CA -1.197 56.819 58.000 0.026 0.000 0.977 43 F CB -0.009 39.004 39.000 0.021 0.000 1.265 43 F HN 0.748 nan 8.300 nan 0.000 0.443 44 G N 1.498 110.367 108.800 0.115 0.000 2.690 44 G HA2 0.467 4.428 3.960 0.001 0.000 0.239 44 G HA3 0.467 4.428 3.960 0.001 0.000 0.239 44 G C -1.179 173.777 174.900 0.092 0.000 1.233 44 G CA -0.704 44.423 45.100 0.044 0.000 0.847 44 G HN 0.746 nan 8.290 nan 0.000 0.588 45 K N 0.766 121.185 120.400 0.032 0.000 2.601 45 K HA 0.176 4.496 4.320 0.001 0.000 0.249 45 K C -0.285 176.341 176.600 0.043 0.000 0.966 45 K CA -0.513 55.806 56.287 0.054 0.000 0.827 45 K CB 2.207 34.700 32.500 -0.012 0.000 1.178 45 K HN 0.837 nan 8.250 nan 0.000 0.437 46 E N 1.647 121.879 120.200 0.054 0.000 2.392 46 E HA 0.049 4.400 4.350 0.001 0.000 0.259 46 E C -0.591 176.022 176.600 0.022 0.000 1.108 46 E CA -0.500 55.937 56.400 0.062 0.000 0.916 46 E CB 0.791 30.529 29.700 0.063 0.000 0.989 46 E HN 0.494 nan 8.360 nan 0.000 0.432 47 H N 2.114 121.150 119.070 -0.057 0.000 2.580 47 H HA 0.092 4.648 4.556 0.001 0.000 0.322 47 H C -1.465 173.669 175.328 -0.324 0.000 1.082 47 H CA -1.977 53.952 56.048 -0.198 0.000 1.383 47 H CB 1.262 30.872 29.762 -0.254 0.000 1.450 47 H HN 0.400 nan 8.280 nan 0.000 0.505 48 P HA -0.240 nan 4.420 nan 0.000 0.218 48 P C 1.533 178.668 177.300 -0.275 0.000 1.146 48 P CA 1.063 63.749 63.100 -0.690 0.000 0.813 48 P CB 0.525 31.693 31.700 -0.887 0.000 0.778 49 L N -1.295 119.896 121.223 -0.054 0.000 1.973 49 L HA -0.131 4.210 4.340 0.001 0.000 0.208 49 L C 2.836 179.577 176.870 -0.214 0.000 1.073 49 L CA 1.716 56.412 54.840 -0.241 0.000 0.746 49 L CB -0.805 40.904 42.059 -0.584 0.000 0.891 49 L HN -0.127 nan 8.230 nan 0.000 0.433 50 F N -0.062 119.763 119.950 -0.209 0.000 2.065 50 F HA -0.336 4.192 4.527 0.001 0.000 0.298 50 F C 2.700 178.439 175.800 -0.101 0.000 1.112 50 F CA 0.737 58.611 58.000 -0.210 0.000 1.212 50 F CB -0.615 38.280 39.000 -0.174 0.000 0.975 50 F HN 0.270 nan 8.300 nan 0.000 0.476 51 A N 0.495 123.391 122.820 0.127 0.000 1.859 51 A HA -0.294 4.027 4.320 0.001 0.000 0.218 51 A C 2.105 179.792 177.584 0.171 0.000 1.209 51 A CA 2.846 54.948 52.037 0.109 0.000 0.639 51 A CB -1.522 17.493 19.000 0.023 0.000 0.835 51 A HN 0.382 nan 8.150 nan 0.000 0.450 52 T N 0.353 115.033 114.554 0.211 0.000 2.721 52 T HA -0.185 4.165 4.350 0.001 0.000 0.268 52 T C 1.766 176.579 174.700 0.187 0.000 1.038 52 T CA 1.661 63.919 62.100 0.263 0.000 1.145 52 T CB -0.554 68.450 68.868 0.227 0.000 0.858 52 T HN 0.442 nan 8.240 nan 0.000 0.459 53 I N 0.758 121.387 120.570 0.098 0.000 2.113 53 I HA -0.228 3.943 4.170 0.001 0.000 0.238 53 I C 2.863 179.064 176.117 0.141 0.000 1.070 53 I CA 1.464 62.812 61.300 0.079 0.000 1.332 53 I CB -0.445 37.537 38.000 -0.030 0.000 1.044 53 I HN 0.199 nan 8.210 nan 0.000 0.402 54 Q N 1.483 121.354 119.800 0.117 0.000 2.061 54 Q HA -0.273 4.068 4.340 0.001 0.000 0.204 54 Q C 2.175 178.258 176.000 0.139 0.000 0.984 54 Q CA 1.898 57.769 55.803 0.114 0.000 0.846 54 Q CB -0.380 28.404 28.738 0.076 0.000 0.902 54 Q HN 0.240 nan 8.270 nan 0.000 0.421 55 R N -0.938 119.657 120.500 0.158 0.000 2.200 55 R HA -0.117 4.224 4.340 0.001 0.000 0.234 55 R C 1.670 178.118 176.300 0.247 0.000 1.127 55 R CA 1.141 57.331 56.100 0.150 0.000 0.989 55 R CB -0.316 30.108 30.300 0.207 0.000 0.869 55 R HN 0.378 nan 8.270 nan 0.000 0.459 56 L N 0.143 121.559 121.223 0.321 0.000 2.202 56 L HA 0.118 4.459 4.340 0.001 0.000 0.205 56 L C 1.879 178.908 176.870 0.265 0.000 1.083 56 L CA 1.360 56.408 54.840 0.347 0.000 0.790 56 L CB -0.297 41.919 42.059 0.261 0.000 0.942 56 L HN 0.092 nan 8.230 nan 0.000 0.452 57 R N -0.330 120.346 120.500 0.294 0.000 2.080 57 R HA -0.180 4.161 4.340 0.001 0.000 0.236 57 R C 2.020 178.398 176.300 0.130 0.000 1.137 57 R CA 1.823 58.139 56.100 0.360 0.000 0.943 57 R CB -0.529 29.974 30.300 0.338 0.000 0.846 57 R HN 0.454 nan 8.270 nan 0.000 0.431 58 E N 0.898 121.151 120.200 0.089 0.000 2.038 58 E HA -0.210 4.141 4.350 0.001 0.000 0.195 58 E C 2.214 178.783 176.600 -0.051 0.000 1.000 58 E CA 1.180 57.588 56.400 0.013 0.000 0.803 58 E CB -0.257 29.439 29.700 -0.007 0.000 0.750 58 E HN 0.381 nan 8.360 nan 0.000 0.448 59 A N 0.991 123.775 122.820 -0.060 0.000 1.884 59 A HA -0.261 4.060 4.320 0.001 0.000 0.219 59 A C 2.028 179.502 177.584 -0.184 0.000 1.197 59 A CA 1.842 53.810 52.037 -0.115 0.000 0.637 59 A CB -1.030 17.979 19.000 0.016 0.000 0.827 59 A HN 0.285 nan 8.150 nan 0.000 0.450 60 Y N -0.373 119.763 120.300 -0.274 0.000 2.145 60 Y HA -0.122 4.428 4.550 0.001 0.000 0.286 60 Y C 2.304 177.920 175.900 -0.473 0.000 1.145 60 Y CA 1.484 59.244 58.100 -0.566 0.000 1.148 60 Y CB -0.621 37.112 38.460 -1.211 0.000 0.981 60 Y HN 0.214 nan 8.280 nan 0.000 0.507 61 L N -1.184 119.869 121.223 -0.284 0.000 2.042 61 L HA -0.277 4.064 4.340 0.001 0.000 0.210 61 L C 2.323 179.189 176.870 -0.007 0.000 1.076 61 L CA 1.638 56.423 54.840 -0.092 0.000 0.749 61 L CB -0.671 41.385 42.059 -0.005 0.000 0.893 61 L HN 0.056 nan 8.230 nan 0.000 0.432 62 S N 0.073 115.754 115.700 -0.032 0.000 2.469 62 S HA -0.070 4.401 4.470 0.001 0.000 0.238 62 S C 1.529 176.133 174.600 0.007 0.000 0.998 62 S CA 1.133 59.321 58.200 -0.021 0.000 0.957 62 S CB -0.299 62.869 63.200 -0.053 0.000 0.764 62 S HN 0.557 nan 8.310 nan 0.000 0.514 63 I N -2.960 117.640 120.570 0.052 0.000 3.914 63 I HA 0.551 4.722 4.170 0.001 0.000 0.333 63 I C 1.162 177.412 176.117 0.221 0.000 1.449 63 I CA 0.140 61.511 61.300 0.119 0.000 1.135 63 I CB -0.095 37.977 38.000 0.119 0.000 1.073 63 I HN 0.227 nan 8.210 nan 0.000 0.401 64 G N 1.327 110.217 108.800 0.151 0.000 2.232 64 G HA2 -0.248 3.712 3.960 0.001 0.000 0.226 64 G HA3 -0.248 3.712 3.960 0.001 0.000 0.226 64 G C -0.085 174.837 174.900 0.036 0.000 0.996 64 G CA -0.407 44.725 45.100 0.053 0.000 0.626 64 G HN 0.289 nan 8.290 nan 0.000 0.509 65 F N 3.107 123.041 119.950 -0.027 0.000 2.467 65 F HA 0.575 5.103 4.527 0.001 0.000 0.362 65 F C 1.146 177.059 175.800 0.188 0.000 1.090 65 F CA -0.187 57.835 58.000 0.037 0.000 1.202 65 F CB 1.228 40.226 39.000 -0.003 0.000 1.113 65 F HN 0.018 nan 8.300 nan 0.000 0.541 66 S N 2.121 118.040 115.700 0.365 0.000 2.584 66 S HA 0.170 4.641 4.470 0.001 0.000 0.273 66 S C -0.029 174.837 174.600 0.443 0.000 1.311 66 S CA -0.902 57.513 58.200 0.359 0.000 1.034 66 S CB 0.944 64.238 63.200 0.156 0.000 0.939 66 S HN 0.607 nan 8.310 nan 0.000 0.513 67 E N 0.607 120.971 120.200 0.272 0.000 2.349 67 E HA 0.553 4.904 4.350 0.001 0.000 0.265 67 E C -1.150 175.346 176.600 -0.174 0.000 1.064 67 E CA -0.351 55.886 56.400 -0.273 0.000 0.886 67 E CB 0.997 30.552 29.700 -0.242 0.000 1.036 67 E HN 0.312 nan 8.360 nan 0.000 0.413 68 V N 3.367 123.116 119.914 -0.276 0.000 3.147 68 V HA 0.293 4.413 4.120 0.001 0.000 0.299 68 V C -1.443 174.513 176.094 -0.229 0.000 1.302 68 V CA -0.725 61.485 62.300 -0.150 0.000 1.015 68 V CB 2.450 34.266 31.823 -0.013 0.000 1.086 68 V HN 0.439 nan 8.190 nan 0.000 0.437 69 V N 5.573 125.375 119.914 -0.187 0.000 2.398 69 V HA 0.579 4.700 4.120 0.001 0.000 0.286 69 V C 0.011 175.963 176.094 -0.236 0.000 1.026 69 V CA -0.703 61.470 62.300 -0.212 0.000 0.868 69 V CB 1.740 33.475 31.823 -0.147 0.000 0.982 69 V HN 0.883 nan 8.190 nan 0.000 0.443 70 N N 4.457 122.958 118.700 -0.331 0.000 2.482 70 N HA 0.523 5.263 4.740 0.001 0.000 0.279 70 N C -2.564 172.805 175.510 -0.236 0.000 1.182 70 N CA -1.399 51.440 53.050 -0.351 0.000 0.969 70 N CB 1.383 39.500 38.487 -0.616 0.000 1.201 70 N HN 0.357 nan 8.380 nan 0.000 0.523 71 P HA 0.107 nan 4.420 nan 0.000 0.268 71 P C 0.532 177.757 177.300 -0.124 0.000 1.205 71 P CA -0.029 62.994 63.100 -0.128 0.000 0.771 71 P CB 1.023 32.656 31.700 -0.113 0.000 0.858 72 L N 2.536 123.711 121.223 -0.079 0.000 2.433 72 L HA 0.210 4.551 4.340 0.001 0.000 0.200 72 L C 0.395 177.252 176.870 -0.022 0.000 1.059 72 L CA 0.320 55.135 54.840 -0.042 0.000 0.835 72 L CB 0.289 42.339 42.059 -0.015 0.000 1.076 72 L HN 0.226 nan 8.230 nan 0.000 0.481 73 I N 2.063 122.612 120.570 -0.034 0.000 2.371 73 I HA 0.278 4.449 4.170 0.001 0.000 0.290 73 I C -0.064 176.046 176.117 -0.012 0.000 1.028 73 I CA -0.193 61.083 61.300 -0.039 0.000 1.345 73 I CB 0.831 38.806 38.000 -0.041 0.000 1.407 73 I HN -0.083 nan 8.210 nan 0.000 0.501 74 V N 3.456 123.370 119.914 -0.001 0.000 3.147 74 V HA 0.570 4.690 4.120 0.001 0.000 0.306 74 V C -0.447 175.695 176.094 0.078 0.000 1.209 74 V CA -0.996 61.348 62.300 0.074 0.000 1.023 74 V CB 2.456 34.335 31.823 0.094 0.000 1.059 74 V HN 0.565 nan 8.190 nan 0.000 0.435 75 E N 2.676 122.969 120.200 0.155 0.000 2.257 75 E HA 0.138 4.488 4.350 0.001 0.000 0.278 75 E C 0.473 177.105 176.600 0.053 0.000 1.049 75 E CA 0.363 56.800 56.400 0.062 0.000 0.876 75 E CB 1.407 31.111 29.700 0.007 0.000 1.035 75 E HN 0.976 nan 8.360 nan 0.000 0.419 76 D N 2.501 122.904 120.400 0.004 0.000 2.322 76 D HA -0.207 4.434 4.640 0.001 0.000 0.210 76 D C 1.472 177.792 176.300 0.033 0.000 0.983 76 D CA 0.637 54.645 54.000 0.012 0.000 0.902 76 D CB -0.382 40.442 40.800 0.040 0.000 0.905 76 D HN 0.276 nan 8.370 nan 0.000 0.483 77 V N 0.229 120.122 119.914 -0.036 0.000 2.660 77 V HA -0.298 3.823 4.120 0.001 0.000 0.257 77 V C 1.978 177.997 176.094 -0.125 0.000 1.088 77 V CA 1.829 64.064 62.300 -0.108 0.000 1.106 77 V CB -0.526 31.178 31.823 -0.199 0.000 0.686 77 V HN 0.335 nan 8.190 nan 0.000 0.481 78 H N -0.551 118.551 119.070 0.053 0.000 2.317 78 H HA 0.011 4.568 4.556 0.001 0.000 0.304 78 H C 2.422 177.817 175.328 0.111 0.000 1.067 78 H CA 1.890 58.005 56.048 0.112 0.000 1.352 78 H CB -0.444 29.417 29.762 0.164 0.000 1.398 78 H HN 0.420 nan 8.280 nan 0.000 0.510 79 V N 1.737 121.801 119.914 0.251 0.000 2.324 79 V HA -0.285 3.836 4.120 0.001 0.000 0.250 79 V C 2.323 178.590 176.094 0.288 0.000 1.060 79 V CA 1.866 64.339 62.300 0.288 0.000 1.042 79 V CB -0.392 31.540 31.823 0.182 0.000 0.650 79 V HN 0.384 nan 8.190 nan 0.000 0.450 80 K N -0.109 120.379 120.400 0.147 0.000 2.025 80 K HA -0.159 4.162 4.320 0.001 0.000 0.207 80 K C 2.280 178.911 176.600 0.051 0.000 1.049 80 K CA 1.297 57.639 56.287 0.093 0.000 0.933 80 K CB -0.273 32.246 32.500 0.031 0.000 0.714 80 K HN 0.357 nan 8.250 nan 0.000 0.438 81 K N 1.004 121.400 120.400 -0.006 0.000 2.152 81 K HA -0.218 4.103 4.320 0.001 0.000 0.206 81 K C 2.216 178.747 176.600 -0.116 0.000 1.048 81 K CA 1.624 57.850 56.287 -0.101 0.000 0.933 81 K CB 0.018 32.385 32.500 -0.221 0.000 0.721 81 K HN 0.248 nan 8.250 nan 0.000 0.447 82 Q N -0.678 119.064 119.800 -0.097 0.000 2.036 82 Q HA -0.001 4.340 4.340 0.001 0.000 0.195 82 Q C 1.665 177.538 176.000 -0.211 0.000 0.971 82 Q CA 1.061 56.673 55.803 -0.319 0.000 0.826 82 Q CB -0.021 28.402 28.738 -0.525 0.000 0.896 82 Q HN 0.193 nan 8.270 nan 0.000 0.449 83 F N 0.780 120.714 119.950 -0.027 0.000 2.722 83 F HA 0.023 4.550 4.527 0.001 0.000 0.298 83 F C 1.681 177.500 175.800 0.032 0.000 1.175 83 F CA 0.723 58.754 58.000 0.052 0.000 1.462 83 F CB -0.560 38.479 39.000 0.065 0.000 1.111 83 F HN 0.247 nan 8.300 nan 0.000 0.592 84 G N 0.777 109.658 108.800 0.135 0.000 2.596 84 G HA2 -0.445 3.516 3.960 0.001 0.000 0.304 84 G HA3 -0.445 3.516 3.960 0.001 0.000 0.304 84 G C 1.092 176.047 174.900 0.093 0.000 1.189 84 G CA 0.686 45.834 45.100 0.080 0.000 0.986 84 G HN 0.255 nan 8.290 nan 0.000 0.548 85 R N 1.266 121.815 120.500 0.083 0.000 2.297 85 R HA 0.300 4.640 4.340 0.001 0.000 0.197 85 R C 2.185 178.528 176.300 0.072 0.000 0.943 85 R CA 1.347 57.486 56.100 0.063 0.000 1.038 85 R CB -0.036 30.292 30.300 0.046 0.000 0.957 85 R HN 0.711 nan 8.270 nan 0.000 0.484 86 E N -0.046 120.227 120.200 0.122 0.000 2.474 86 E HA 0.067 4.418 4.350 0.001 0.000 0.194 86 E C 1.474 178.086 176.600 0.021 0.000 1.041 86 E CA 0.415 56.876 56.400 0.101 0.000 0.874 86 E CB 0.154 29.969 29.700 0.192 0.000 0.914 86 E HN 0.257 nan 8.360 nan 0.000 0.498 87 A N 1.297 124.166 122.820 0.082 0.000 1.971 87 A HA -0.242 4.079 4.320 0.001 0.000 0.222 87 A C 2.058 179.581 177.584 -0.102 0.000 1.182 87 A CA 1.455 53.496 52.037 0.006 0.000 0.649 87 A CB -0.675 18.384 19.000 0.098 0.000 0.818 87 A HN 0.372 nan 8.150 nan 0.000 0.458 88 L N -1.322 119.870 121.223 -0.052 0.000 2.072 88 L HA -0.132 4.209 4.340 0.001 0.000 0.205 88 L C 3.120 179.940 176.870 -0.083 0.000 1.079 88 L CA 0.894 55.705 54.840 -0.049 0.000 0.752 88 L CB -0.686 41.359 42.059 -0.024 0.000 0.906 88 L HN 0.432 nan 8.230 nan 0.000 0.436 89 A N -0.016 122.749 122.820 -0.092 0.000 1.927 89 A HA -0.199 4.121 4.320 0.001 0.000 0.220 89 A C 2.334 179.826 177.584 -0.153 0.000 1.185 89 A CA 2.261 54.241 52.037 -0.095 0.000 0.639 89 A CB -0.905 18.052 19.000 -0.071 0.000 0.820 89 A HN 0.223 nan 8.150 nan 0.000 0.451 90 V N -0.229 119.510 119.914 -0.291 0.000 2.283 90 V HA -0.207 3.913 4.120 0.001 0.000 0.243 90 V C 2.412 178.377 176.094 -0.214 0.000 1.039 90 V CA 1.691 63.755 62.300 -0.393 0.000 1.016 90 V CB -0.812 30.442 31.823 -0.947 0.000 0.650 90 V HN 0.582 nan 8.190 nan 0.000 0.449 91 L N 0.746 121.879 121.223 -0.151 0.000 2.369 91 L HA -0.272 4.069 4.340 0.001 0.000 0.220 91 L C 2.362 179.258 176.870 0.043 0.000 1.119 91 L CA 1.732 56.569 54.840 -0.006 0.000 0.780 91 L CB -0.644 41.459 42.059 0.074 0.000 0.906 91 L HN 0.559 nan 8.230 nan 0.000 0.442 92 D N 1.056 121.441 120.400 -0.025 0.000 2.077 92 D HA -0.221 4.420 4.640 0.001 0.000 0.196 92 D C 2.153 178.431 176.300 -0.037 0.000 0.986 92 D CA 1.496 55.479 54.000 -0.028 0.000 0.829 92 D CB 0.040 40.812 40.800 -0.046 0.000 0.983 92 D HN 0.436 nan 8.370 nan 0.000 0.453 93 R N 0.202 120.676 120.500 -0.042 0.000 2.285 93 R HA -0.004 4.337 4.340 0.001 0.000 0.213 93 R C 0.837 177.147 176.300 0.017 0.000 1.068 93 R CA 0.365 56.451 56.100 -0.023 0.000 1.004 93 R CB -0.682 29.608 30.300 -0.016 0.000 0.873 93 R HN 0.079 nan 8.270 nan 0.000 0.467 94 C N 0.823 120.137 119.300 0.023 0.000 2.443 94 C HA 0.481 4.942 4.460 0.001 0.000 0.369 94 C C 0.129 175.180 174.990 0.101 0.000 1.241 94 C CA -0.991 58.080 59.018 0.088 0.000 2.413 94 C CB 0.231 27.969 27.740 -0.004 0.000 2.451 94 C HN 0.228 nan 8.230 nan 0.000 0.595 95 F N -0.088 119.837 119.950 -0.041 0.000 2.411 95 F HA 0.538 5.066 4.527 0.001 0.000 0.324 95 F C 0.059 175.794 175.800 -0.109 0.000 1.086 95 F CA -0.044 57.938 58.000 -0.031 0.000 1.028 95 F CB 0.580 39.515 39.000 -0.110 0.000 1.284 95 F HN 0.453 nan 8.300 nan 0.000 0.501 96 Y N 0.623 120.990 120.300 0.112 0.000 2.536 96 Y HA 0.548 5.098 4.550 0.001 0.000 0.347 96 Y C -1.017 174.896 175.900 0.022 0.000 1.000 96 Y CA -1.071 57.051 58.100 0.037 0.000 1.051 96 Y CB 1.576 40.034 38.460 -0.003 0.000 1.259 96 Y HN 0.186 nan 8.280 nan 0.000 0.468 97 L N 2.546 123.843 121.223 0.124 0.000 2.275 97 L HA 0.754 5.095 4.340 0.001 0.000 0.288 97 L C -0.294 176.617 176.870 0.069 0.000 1.046 97 L CA -0.316 54.554 54.840 0.050 0.000 0.805 97 L CB 0.800 42.852 42.059 -0.011 0.000 1.193 97 L HN 0.723 nan 8.230 nan 0.000 0.426 98 A N 2.168 125.013 122.820 0.042 0.000 2.386 98 A HA 0.869 5.190 4.320 0.001 0.000 0.311 98 A C -0.269 177.322 177.584 0.011 0.000 1.068 98 A CA -0.213 51.842 52.037 0.029 0.000 0.743 98 A CB 1.502 20.517 19.000 0.025 0.000 1.258 98 A HN 0.672 nan 8.150 nan 0.000 0.429 99 T N -0.488 114.070 114.554 0.008 0.000 2.907 99 T HA 0.714 5.064 4.350 0.001 0.000 0.290 99 T C -0.498 174.203 174.700 0.001 0.000 1.066 99 T CA -0.744 61.357 62.100 0.002 0.000 1.012 99 T CB 0.745 69.614 68.868 0.001 0.000 1.184 99 T HN 0.499 nan 8.240 nan 0.000 0.522 100 L N 2.522 123.745 121.223 -0.000 0.000 2.326 100 L HA 0.456 4.796 4.340 0.001 0.000 0.278 100 L C -1.806 175.063 176.870 -0.001 0.000 1.092 100 L CA -2.085 52.755 54.840 -0.001 0.000 0.810 100 L CB 1.071 43.130 42.059 -0.000 0.000 1.153 100 L HN 0.594 nan 8.230 nan 0.000 0.439 101 P HA 0.127 nan 4.420 nan 0.000 0.282 101 P C -1.053 176.246 177.300 -0.002 0.000 1.274 101 P CA -0.684 62.414 63.100 -0.002 0.000 0.770 101 P CB 0.775 32.473 31.700 -0.003 0.000 0.867 102 K N 4.621 125.020 120.400 -0.002 0.000 2.430 102 K HA 0.053 4.374 4.320 0.001 0.000 0.280 102 K C -1.828 174.771 176.600 -0.002 0.000 1.063 102 K CA -1.021 55.265 56.287 -0.001 0.000 1.071 102 K CB -0.563 31.936 32.500 -0.001 0.000 0.899 102 K HN 0.338 nan 8.250 nan 0.000 0.473 103 P HA -0.005 nan 4.420 nan 0.000 0.262 103 P C -0.579 176.720 177.300 -0.001 0.000 1.647 103 P CA -0.006 63.093 63.100 -0.001 0.000 0.865 103 P CB -0.087 31.613 31.700 -0.001 0.000 1.834 175 K N 1.241 121.639 120.400 -0.003 0.000 2.640 175 K HA 0.489 4.810 4.320 0.001 0.000 0.245 175 K C -2.730 173.867 176.600 -0.005 0.000 0.962 175 K CA -1.346 54.938 56.287 -0.005 0.000 0.896 175 K CB 1.227 33.723 32.500 -0.007 0.000 1.147 175 K HN -0.133 nan 8.250 nan 0.000 0.445 176 P HA 0.014 nan 4.420 nan 0.000 0.265 176 P C -0.472 176.825 177.300 -0.006 0.000 1.187 176 P CA -0.036 63.062 63.100 -0.002 0.000 0.766 176 P CB 0.436 32.137 31.700 0.001 0.000 0.820 177 I N 1.697 122.265 120.570 -0.004 0.000 2.330 177 I HA 0.162 4.333 4.170 0.001 0.000 0.286 177 I C 0.922 177.038 176.117 -0.001 0.000 1.025 177 I CA -0.523 60.773 61.300 -0.006 0.000 1.197 177 I CB 0.176 38.173 38.000 -0.005 0.000 1.358 177 I HN 0.288 nan 8.210 nan 0.000 0.467 178 S N 4.841 120.537 115.700 -0.008 0.000 2.560 178 S HA 0.283 4.754 4.470 0.001 0.000 0.276 178 S C 0.574 175.186 174.600 0.021 0.000 1.350 178 S CA 0.060 58.264 58.200 0.006 0.000 1.024 178 S CB 0.485 63.661 63.200 -0.040 0.000 0.864 178 S HN 0.837 nan 8.310 nan 0.000 0.536 179 S N 1.300 117.043 115.700 0.072 0.000 2.851 179 S HA 0.444 4.915 4.470 0.001 0.000 0.317 179 S C 0.734 175.437 174.600 0.173 0.000 1.144 179 S CA 0.030 58.280 58.200 0.083 0.000 0.862 179 S CB 0.847 64.084 63.200 0.063 0.000 1.259 179 S HN 0.721 nan 8.310 nan 0.000 0.564 180 T N -0.094 114.542 114.554 0.138 0.000 3.113 180 T HA 0.299 4.650 4.350 0.001 0.000 0.256 180 T C 0.471 175.254 174.700 0.139 0.000 1.131 180 T CA -0.063 62.146 62.100 0.182 0.000 1.074 180 T CB -0.892 68.031 68.868 0.092 0.000 0.944 180 T HN 0.431 nan 8.240 nan 0.000 0.516 181 L N 2.721 123.994 121.223 0.083 0.000 2.417 181 L HA 0.433 4.774 4.340 0.001 0.000 0.268 181 L C 0.563 177.349 176.870 -0.141 0.000 1.158 181 L CA -0.394 54.439 54.840 -0.011 0.000 0.819 181 L CB 1.007 43.064 42.059 -0.003 0.000 1.112 181 L HN 0.300 nan 8.230 nan 0.000 0.458 182 T N 0.330 114.760 114.554 -0.206 0.000 2.933 182 T HA 0.527 4.878 4.350 0.001 0.000 0.305 182 T C -0.679 173.927 174.700 -0.156 0.000 1.092 182 T CA -0.888 61.025 62.100 -0.313 0.000 1.008 182 T CB 1.205 69.760 68.868 -0.522 0.000 1.102 182 T HN 0.316 nan 8.240 nan 0.000 0.469 183 L N 3.505 124.642 121.223 -0.144 0.000 2.319 183 L HA 0.441 4.781 4.340 0.001 0.000 0.280 183 L C 1.190 178.103 176.870 0.072 0.000 1.099 183 L CA -1.052 53.722 54.840 -0.110 0.000 0.828 183 L CB 0.637 42.422 42.059 -0.457 0.000 1.150 183 L HN 0.788 nan 8.230 nan 0.000 0.442 184 R N 1.407 121.973 120.500 0.111 0.000 2.494 184 R HA -0.033 4.308 4.340 0.001 0.000 0.291 184 R C 0.974 177.398 176.300 0.206 0.000 0.953 184 R CA 0.481 56.661 56.100 0.133 0.000 1.098 184 R CB 0.122 30.472 30.300 0.084 0.000 0.911 184 R HN 0.741 nan 8.270 nan 0.000 0.407 185 S N 2.090 117.902 115.700 0.187 0.000 2.489 185 S HA -0.081 4.390 4.470 0.001 0.000 0.228 185 S C 0.322 175.111 174.600 0.315 0.000 0.995 185 S CA 0.606 58.922 58.200 0.194 0.000 0.934 185 S CB -0.846 62.364 63.200 0.016 0.000 0.771 185 S HN 0.980 nan 8.310 nan 0.000 0.522 186 H N -4.218 114.966 119.070 0.190 0.000 3.024 186 H HA 0.424 4.980 4.556 0.001 0.000 0.324 186 H C 0.422 175.784 175.328 0.057 0.000 1.347 186 H CA -0.966 55.197 56.048 0.192 0.000 1.182 186 H CB 0.427 30.353 29.762 0.274 0.000 1.889 186 H HN -0.064 nan 8.280 nan 0.000 0.528 187 M N 1.299 120.923 119.600 0.040 0.000 2.082 187 M HA -0.138 4.343 4.480 0.001 0.000 0.258 187 M C 1.820 177.977 176.300 -0.240 0.000 1.069 187 M CA 2.624 57.815 55.300 -0.183 0.000 1.102 187 M CB -0.752 31.750 32.600 -0.163 0.000 1.336 187 M HN 0.824 nan 8.290 nan 0.000 0.404 188 T N -0.064 114.343 114.554 -0.245 0.000 2.751 188 T HA -0.226 4.125 4.350 0.001 0.000 0.268 188 T C 1.668 176.305 174.700 -0.105 0.000 1.045 188 T CA 2.020 64.018 62.100 -0.171 0.000 1.142 188 T CB -0.737 67.742 68.868 -0.648 0.000 0.851 188 T HN 0.537 nan 8.240 nan 0.000 0.474 189 T N 0.749 115.271 114.554 -0.054 0.000 2.720 189 T HA -0.058 4.293 4.350 0.001 0.000 0.268 189 T C 2.183 176.849 174.700 -0.057 0.000 1.037 189 T CA 1.437 63.575 62.100 0.063 0.000 1.144 189 T CB -0.656 68.304 68.868 0.152 0.000 0.864 189 T HN 0.566 nan 8.240 nan 0.000 0.444 190 G N -0.963 107.745 108.800 -0.154 0.000 2.551 190 G HA2 -0.055 3.906 3.960 0.001 0.000 0.216 190 G HA3 -0.055 3.906 3.960 0.001 0.000 0.216 190 G C 1.258 176.030 174.900 -0.213 0.000 1.137 190 G CA -0.163 44.792 45.100 -0.242 0.000 0.798 190 G HN 0.515 nan 8.290 nan 0.000 0.536 191 W N 0.470 121.675 121.300 -0.159 0.000 2.332 191 W HA -0.067 4.594 4.660 0.002 0.000 0.321 191 W C 2.300 178.654 176.519 -0.274 0.000 1.219 191 W CA 0.450 57.679 57.345 -0.194 0.000 1.277 191 W CB -0.415 28.940 29.460 -0.176 0.000 1.161 191 W HN 0.176 nan 8.180 nan 0.000 0.476 192 F N 0.122 119.996 119.950 -0.127 0.000 2.147 192 F HA -0.299 4.229 4.527 0.001 0.000 0.301 192 F C 2.105 177.510 175.800 -0.659 0.000 1.084 192 F CA 1.486 59.154 58.000 -0.554 0.000 1.268 192 F CB -1.002 37.292 39.000 -1.177 0.000 1.009 192 F HN -0.128 nan 8.300 nan 0.000 0.486 193 I N -0.941 119.418 120.570 -0.353 0.000 2.179 193 I HA -0.282 3.888 4.170 0.001 0.000 0.242 193 I C 2.318 178.448 176.117 0.022 0.000 1.088 193 I CA 1.619 62.821 61.300 -0.164 0.000 1.357 193 I CB -0.874 37.022 38.000 -0.175 0.000 1.051 193 I HN 0.082 nan 8.210 nan 0.000 0.409 194 T N 1.133 115.717 114.554 0.051 0.000 2.812 194 T HA -0.024 4.326 4.350 0.001 0.000 0.264 194 T C 1.932 176.746 174.700 0.191 0.000 1.042 194 T CA 1.031 63.223 62.100 0.154 0.000 1.140 194 T CB -0.177 68.766 68.868 0.125 0.000 0.870 194 T HN 0.223 nan 8.240 nan 0.000 0.445 195 L N 1.718 123.033 121.223 0.154 0.000 2.275 195 L HA -0.074 4.267 4.340 0.001 0.000 0.215 195 L C 2.826 179.754 176.870 0.096 0.000 1.119 195 L CA 1.007 55.913 54.840 0.110 0.000 0.790 195 L CB -0.623 41.462 42.059 0.044 0.000 0.919 195 L HN 0.395 nan 8.230 nan 0.000 0.443 196 S N -0.947 114.789 115.700 0.060 0.000 2.383 196 S HA -0.264 4.207 4.470 0.001 0.000 0.229 196 S C 1.634 176.202 174.600 -0.054 0.000 1.030 196 S CA 1.471 59.678 58.200 0.012 0.000 1.002 196 S CB -0.586 62.597 63.200 -0.027 0.000 0.829 196 S HN 0.550 nan 8.310 nan 0.000 0.467 197 H N 0.943 120.072 119.070 0.097 0.000 2.551 197 H HA 0.377 4.933 4.556 0.001 0.000 0.266 197 H C 1.844 177.213 175.328 0.068 0.000 0.964 197 H CA 1.131 57.225 56.048 0.078 0.000 1.180 197 H CB 0.023 29.822 29.762 0.062 0.000 1.408 197 H HN 0.719 nan 8.280 nan 0.000 0.563 198 I N -4.513 116.161 120.570 0.173 0.000 4.471 198 I HA 0.430 4.601 4.170 0.001 0.000 0.326 198 I C 2.051 178.230 176.117 0.104 0.000 1.300 198 I CA 0.279 61.651 61.300 0.121 0.000 1.237 198 I CB 0.155 38.214 38.000 0.098 0.000 1.195 198 I HN 0.012 nan 8.210 nan 0.000 0.427 199 A N 2.591 125.480 122.820 0.114 0.000 2.054 199 A HA -0.275 4.046 4.320 0.001 0.000 0.223 199 A C 1.710 179.427 177.584 0.221 0.000 1.169 199 A CA 2.500 54.625 52.037 0.146 0.000 0.655 199 A CB -0.754 18.339 19.000 0.155 0.000 0.812 199 A HN 0.801 nan 8.150 nan 0.000 0.462 200 D N -2.695 117.812 120.400 0.179 0.000 2.513 200 D HA 0.141 4.781 4.640 0.001 0.000 0.222 200 D C 0.920 177.301 176.300 0.134 0.000 1.210 200 D CA 0.056 54.182 54.000 0.210 0.000 0.825 200 D CB -0.041 40.845 40.800 0.144 0.000 1.037 200 D HN 0.475 nan 8.370 nan 0.000 0.506 201 K N -0.104 120.355 120.400 0.099 0.000 2.424 201 K HA 0.289 4.610 4.320 0.001 0.000 0.198 201 K C 0.821 177.447 176.600 0.044 0.000 1.190 201 K CA 0.051 56.380 56.287 0.069 0.000 0.935 201 K CB 1.275 33.816 32.500 0.069 0.000 1.087 201 K HN 0.005 nan 8.250 nan 0.000 0.524 202 L N 2.593 123.837 121.223 0.035 0.000 2.399 202 L HA 0.344 4.684 4.340 0.001 0.000 0.265 202 L C -2.317 174.538 176.870 -0.024 0.000 1.089 202 L CA -2.308 52.535 54.840 0.005 0.000 0.802 202 L CB 0.246 42.305 42.059 -0.000 0.000 1.180 202 L HN -0.176 nan 8.230 nan 0.000 0.454 203 P HA 0.247 nan 4.420 nan 0.000 0.275 203 P C -0.944 176.290 177.300 -0.111 0.000 1.227 203 P CA -0.440 62.618 63.100 -0.070 0.000 0.781 203 P CB 0.635 32.301 31.700 -0.056 0.000 0.906 204 L N 4.836 125.962 121.223 -0.162 0.000 2.399 204 L HA 0.469 4.809 4.340 0.001 0.000 0.266 204 L C -1.624 175.147 176.870 -0.165 0.000 1.114 204 L CA -1.392 53.325 54.840 -0.205 0.000 0.804 204 L CB -0.504 41.361 42.059 -0.324 0.000 1.146 204 L HN 0.383 nan 8.230 nan 0.000 0.451 205 P HA 0.297 nan 4.420 nan 0.000 0.281 205 P C -1.023 176.160 177.300 -0.195 0.000 1.249 205 P CA -0.376 62.608 63.100 -0.193 0.000 0.810 205 P CB 1.211 32.795 31.700 -0.193 0.000 1.008 206 I N 2.468 122.921 120.570 -0.195 0.000 2.331 206 I HA 0.253 4.423 4.170 0.001 0.000 0.292 206 I C 0.644 176.609 176.117 -0.253 0.000 0.998 206 I CA -0.457 60.736 61.300 -0.178 0.000 1.267 206 I CB 1.054 38.977 38.000 -0.128 0.000 1.386 206 I HN 0.312 nan 8.210 nan 0.000 0.476 207 K N 7.746 127.967 120.400 -0.299 0.000 2.572 207 K HA 0.605 4.925 4.320 0.001 0.000 0.244 207 K C -1.110 175.415 176.600 -0.126 0.000 0.965 207 K CA -0.429 55.555 56.287 -0.505 0.000 0.943 207 K CB 1.942 33.736 32.500 -1.178 0.000 1.154 207 K HN 0.449 nan 8.250 nan 0.000 0.447 208 L N 3.569 124.825 121.223 0.056 0.000 2.333 208 L HA 0.707 5.048 4.340 0.001 0.000 0.269 208 L C -0.476 176.595 176.870 0.335 0.000 1.010 208 L CA -1.297 53.662 54.840 0.199 0.000 0.818 208 L CB 1.111 43.223 42.059 0.089 0.000 1.306 208 L HN 0.529 nan 8.230 nan 0.000 0.430 209 F N -0.256 119.800 119.950 0.176 0.000 2.686 209 F HA 0.798 5.326 4.527 0.001 0.000 0.311 209 F C -0.868 174.992 175.800 0.101 0.000 1.128 209 F CA -0.716 57.276 58.000 -0.013 0.000 0.946 209 F CB 2.050 40.688 39.000 -0.603 0.000 1.336 209 F HN 0.382 nan 8.300 nan 0.000 0.457 210 S N 2.276 117.827 115.700 -0.249 0.000 2.570 210 S HA 0.627 5.098 4.470 0.001 0.000 0.286 210 S C -1.849 172.689 174.600 -0.103 0.000 1.143 210 S CA -0.569 57.397 58.200 -0.391 0.000 0.921 210 S CB 1.039 64.013 63.200 -0.377 0.000 1.108 210 S HN 0.780 nan 8.310 nan 0.000 0.456 211 I N 4.232 124.781 120.570 -0.034 0.000 2.371 211 I HA 0.479 4.649 4.170 0.001 0.000 0.282 211 I C -0.422 175.758 176.117 0.104 0.000 1.031 211 I CA -0.220 61.153 61.300 0.122 0.000 1.180 211 I CB 1.187 39.331 38.000 0.239 0.000 1.336 211 I HN 0.568 nan 8.210 nan 0.000 0.467 212 D N 4.475 124.907 120.400 0.054 0.000 2.732 212 D HA 0.469 5.110 4.640 0.001 0.000 0.292 212 D C -0.400 175.773 176.300 -0.211 0.000 1.135 212 D CA -0.707 53.294 54.000 0.000 0.000 1.071 212 D CB 2.018 42.737 40.800 -0.136 0.000 1.457 212 D HN 0.191 nan 8.370 nan 0.000 0.547 213 R N -0.220 120.005 120.500 -0.459 0.000 2.490 213 R HA 0.596 4.936 4.340 0.001 0.000 0.278 213 R C -0.671 175.157 176.300 -0.787 0.000 1.069 213 R CA -0.309 55.254 56.100 -0.895 0.000 1.080 213 R CB 0.966 30.759 30.300 -0.847 0.000 1.030 213 R HN 0.315 nan 8.270 nan 0.000 0.491 214 C N 1.530 120.190 119.300 -1.067 0.000 3.154 214 C HA 0.615 5.075 4.460 0.001 0.000 0.312 214 C C -1.447 173.024 174.990 -0.865 0.000 1.349 214 C CA -0.762 57.777 59.018 -0.798 0.000 1.518 214 C CB 1.359 28.631 27.740 -0.780 0.000 1.934 214 C HN 0.699 nan 8.230 nan 0.000 0.462 215 F N 1.331 121.301 119.950 0.034 0.000 2.539 215 F HA 0.651 5.179 4.527 0.001 0.000 0.328 215 F C 0.123 176.063 175.800 0.234 0.000 1.148 215 F CA -0.459 57.573 58.000 0.054 0.000 0.940 215 F CB 1.092 39.952 39.000 -0.232 0.000 1.194 215 F HN 0.354 nan 8.300 nan 0.000 0.438 216 R N 1.212 121.986 120.500 0.457 0.000 2.873 216 R HA 0.598 4.938 4.340 0.001 0.000 0.264 216 R C 0.495 177.100 176.300 0.508 0.000 1.026 216 R CA -0.737 55.587 56.100 0.375 0.000 1.002 216 R CB 1.599 31.994 30.300 0.158 0.000 1.174 216 R HN 0.701 nan 8.270 nan 0.000 0.488 217 R N 0.886 121.573 120.500 0.313 0.000 2.509 217 R HA 0.141 4.482 4.340 0.001 0.000 0.297 217 R C -0.699 175.683 176.300 0.138 0.000 0.951 217 R CA -0.152 56.058 56.100 0.183 0.000 1.103 217 R CB 0.590 30.784 30.300 -0.177 0.000 1.283 217 R HN 0.549 nan 8.270 nan 0.000 0.534 218 E N 2.289 122.568 120.200 0.131 0.000 3.446 218 E HA -0.224 4.126 4.350 0.001 0.000 0.221 218 E C 0.141 176.802 176.600 0.101 0.000 1.014 218 E CA 0.882 57.334 56.400 0.087 0.000 0.913 218 E CB -0.025 29.713 29.700 0.064 0.000 0.913 218 E HN 0.314 nan 8.360 nan 0.000 0.561 219 Q N 1.329 121.172 119.800 0.071 0.000 2.224 219 Q HA -0.262 4.079 4.340 0.001 0.000 0.189 219 Q C 0.775 176.844 176.000 0.115 0.000 0.639 219 Q CA 2.170 58.015 55.803 0.070 0.000 1.436 219 Q CB -1.536 27.239 28.738 0.063 0.000 1.626 219 Q HN 1.017 nan 8.270 nan 0.000 0.768 220 G N 0.032 108.952 108.800 0.199 0.000 2.323 220 G HA2 -0.337 3.623 3.960 0.001 0.000 0.292 220 G HA3 -0.337 3.623 3.960 0.001 0.000 0.292 220 G C -0.101 174.997 174.900 0.331 0.000 1.040 220 G CA 0.787 46.133 45.100 0.410 0.000 0.942 220 G HN 0.526 nan 8.290 nan 0.000 0.506 221 E N -1.278 119.026 120.200 0.173 0.000 2.359 221 E HA 0.517 4.868 4.350 0.001 0.000 0.255 221 E C 0.881 177.425 176.600 -0.094 0.000 1.191 221 E CA -0.333 56.094 56.400 0.045 0.000 0.952 221 E CB 0.775 30.503 29.700 0.047 0.000 1.152 221 E HN 0.124 nan 8.360 nan 0.000 0.496 222 D N -0.742 119.614 120.400 -0.073 0.000 2.680 222 D HA 0.145 4.786 4.640 0.001 0.000 0.295 222 D C 1.391 177.688 176.300 -0.005 0.000 1.097 222 D CA 0.836 54.775 54.000 -0.100 0.000 0.952 222 D CB -0.179 40.566 40.800 -0.092 0.000 1.491 222 D HN 0.359 nan 8.370 nan 0.000 0.486 223 A N 0.556 123.386 122.820 0.017 0.000 1.827 223 A HA -0.167 4.153 4.320 0.001 0.000 0.215 223 A C 2.303 179.921 177.584 0.056 0.000 1.212 223 A CA 3.782 55.846 52.037 0.045 0.000 0.624 223 A CB -1.703 17.318 19.000 0.036 0.000 0.853 223 A HN 0.429 nan 8.150 nan 0.000 0.450 224 T N -1.756 112.827 114.554 0.048 0.000 2.580 224 T HA -0.092 4.258 4.350 0.001 0.000 0.265 224 T C 1.159 175.895 174.700 0.060 0.000 1.063 224 T CA 1.434 63.567 62.100 0.056 0.000 1.170 224 T CB -0.248 68.651 68.868 0.051 0.000 0.863 224 T HN 0.541 nan 8.240 nan 0.000 0.418 225 R N -0.412 120.117 120.500 0.049 0.000 2.922 225 R HA 0.801 5.142 4.340 0.001 0.000 0.256 225 R C -0.870 175.449 176.300 0.032 0.000 1.138 225 R CA -0.979 55.151 56.100 0.050 0.000 0.995 225 R CB 1.425 31.750 30.300 0.042 0.000 1.226 225 R HN 0.194 nan 8.270 nan 0.000 0.481 226 L N -0.401 120.856 121.223 0.057 0.000 2.256 226 L HA 0.421 4.761 4.340 0.001 0.000 0.261 226 L C 0.692 177.667 176.870 0.176 0.000 1.022 226 L CA -0.850 54.006 54.840 0.027 0.000 0.828 226 L CB 1.049 43.163 42.059 0.092 0.000 1.374 226 L HN 0.660 nan 8.230 nan 0.000 0.436 227 Y N -0.215 120.182 120.300 0.162 0.000 2.373 227 Y HA -0.069 4.482 4.550 0.001 0.000 0.293 227 Y C 1.122 177.112 175.900 0.150 0.000 1.129 227 Y CA 0.445 58.666 58.100 0.203 0.000 1.226 227 Y CB 0.372 38.948 38.460 0.193 0.000 1.000 227 Y HN 0.612 nan 8.280 nan 0.000 0.549 228 T N -1.736 112.956 114.554 0.231 0.000 2.881 228 T HA 0.498 4.849 4.350 0.001 0.000 0.290 228 T C -0.964 173.761 174.700 0.042 0.000 1.000 228 T CA -0.692 61.379 62.100 -0.048 0.000 0.978 228 T CB 1.308 70.002 68.868 -0.289 0.000 0.997 228 T HN 0.247 nan 8.240 nan 0.000 0.443 229 Y N 0.821 120.957 120.300 -0.273 0.000 2.773 229 Y HA 0.884 5.435 4.550 0.001 0.000 0.323 229 Y C -1.610 174.105 175.900 -0.308 0.000 1.183 229 Y CA -2.252 55.765 58.100 -0.137 0.000 1.144 229 Y CB 1.376 39.835 38.460 -0.002 0.000 1.340 229 Y HN 0.509 nan 8.280 nan 0.000 0.531 230 F N 1.162 121.027 119.950 -0.141 0.000 2.427 230 F HA 0.463 4.990 4.527 0.001 0.000 0.348 230 F C 0.145 175.866 175.800 -0.133 0.000 1.125 230 F CA -0.620 57.252 58.000 -0.213 0.000 0.989 230 F CB 2.101 41.062 39.000 -0.063 0.000 1.165 230 F HN 0.542 nan 8.300 nan 0.000 0.442 231 S N 2.600 118.241 115.700 -0.099 0.000 2.525 231 S HA 0.732 5.203 4.470 0.001 0.000 0.278 231 S C -0.042 174.653 174.600 0.158 0.000 1.234 231 S CA -0.486 57.751 58.200 0.061 0.000 1.058 231 S CB 0.892 64.086 63.200 -0.011 0.000 0.983 231 S HN 0.719 nan 8.310 nan 0.000 0.495 232 A N 4.226 127.186 122.820 0.233 0.000 3.158 232 A HA 0.538 4.859 4.320 0.001 0.000 0.319 232 A C 0.392 178.190 177.584 0.357 0.000 1.204 232 A CA -0.516 51.720 52.037 0.332 0.000 0.992 232 A CB -0.121 19.090 19.000 0.351 0.000 1.110 232 A HN 0.664 nan 8.150 nan 0.000 0.519 233 S N -0.020 115.830 115.700 0.250 0.000 2.632 233 S HA 0.660 5.131 4.470 0.001 0.000 0.267 233 S C 0.065 174.747 174.600 0.138 0.000 1.276 233 S CA 0.272 58.643 58.200 0.285 0.000 0.998 233 S CB 0.560 64.042 63.200 0.470 0.000 0.953 233 S HN 1.561 nan 8.310 nan 0.000 0.547 234 C N 1.576 120.913 119.300 0.061 0.000 3.284 234 C HA 0.841 5.302 4.460 0.001 0.000 0.338 234 C C -0.989 173.759 174.990 -0.404 0.000 1.237 234 C CA -0.638 58.266 59.018 -0.191 0.000 1.276 234 C CB 0.305 27.739 27.740 -0.510 0.000 1.601 234 C HN 0.916 nan 8.230 nan 0.000 0.494 235 V N 0.528 120.126 119.914 -0.526 0.000 2.925 235 V HA 0.814 4.934 4.120 0.001 0.000 0.311 235 V C -1.170 174.765 176.094 -0.264 0.000 1.104 235 V CA -0.702 61.222 62.300 -0.627 0.000 0.954 235 V CB 1.728 32.840 31.823 -1.185 0.000 1.022 235 V HN 1.227 nan 8.190 nan 0.000 0.427 236 L N 4.063 125.148 121.223 -0.231 0.000 2.343 236 L HA 0.711 5.051 4.340 0.001 0.000 0.278 236 L C -1.172 175.585 176.870 -0.188 0.000 0.996 236 L CA -0.655 54.085 54.840 -0.167 0.000 0.831 236 L CB 1.875 43.884 42.059 -0.083 0.000 1.232 236 L HN 0.714 nan 8.230 nan 0.000 0.413 237 V N 4.057 123.864 119.914 -0.180 0.000 2.313 237 V HA 0.462 4.582 4.120 0.001 0.000 0.278 237 V C -0.582 175.423 176.094 -0.148 0.000 1.017 237 V CA -0.373 61.851 62.300 -0.127 0.000 0.823 237 V CB 1.257 33.023 31.823 -0.095 0.000 1.010 237 V HN 0.651 nan 8.190 nan 0.000 0.443 238 D N 1.961 122.291 120.400 -0.117 0.000 2.592 238 D HA 0.394 5.035 4.640 0.001 0.000 0.263 238 D C 0.910 177.148 176.300 -0.104 0.000 1.132 238 D CA -0.622 53.280 54.000 -0.163 0.000 0.996 238 D CB 2.249 42.974 40.800 -0.124 0.000 1.442 238 D HN 0.416 nan 8.370 nan 0.000 0.486 239 E N -0.288 119.835 120.200 -0.128 0.000 2.107 239 E HA -0.007 4.344 4.350 0.001 0.000 0.191 239 E C -0.147 176.495 176.600 0.071 0.000 0.982 239 E CA 0.730 57.153 56.400 0.038 0.000 0.809 239 E CB 0.419 30.126 29.700 0.012 0.000 0.756 239 E HN 0.257 nan 8.360 nan 0.000 0.459 240 E N 0.512 120.721 120.200 0.014 0.000 2.224 240 E HA 0.440 4.791 4.350 0.001 0.000 0.265 240 E C -0.897 175.703 176.600 -0.000 0.000 0.878 240 E CA -0.326 56.085 56.400 0.019 0.000 0.759 240 E CB 2.194 31.900 29.700 0.010 0.000 1.164 240 E HN 0.003 nan 8.360 nan 0.000 0.414 241 L N 1.443 122.672 121.223 0.010 0.000 2.464 241 L HA 0.389 4.729 4.340 0.001 0.000 0.266 241 L C -0.058 176.816 176.870 0.007 0.000 0.965 241 L CA -0.518 54.319 54.840 -0.005 0.000 0.833 241 L CB 2.155 44.208 42.059 -0.010 0.000 1.296 241 L HN 0.385 nan 8.230 nan 0.000 0.405 242 S N 0.642 116.341 115.700 -0.002 0.000 2.718 242 S HA 0.292 4.762 4.470 0.001 0.000 0.292 242 S C 0.588 175.199 174.600 0.019 0.000 1.125 242 S CA -0.574 57.632 58.200 0.010 0.000 1.013 242 S CB 2.053 65.256 63.200 0.005 0.000 1.192 242 S HN 0.455 nan 8.310 nan 0.000 0.535 243 V N 0.675 120.612 119.914 0.038 0.000 3.235 243 V HA -0.048 4.072 4.120 0.001 0.000 0.259 243 V C 0.917 177.042 176.094 0.051 0.000 1.133 243 V CA 1.405 63.766 62.300 0.101 0.000 1.128 243 V CB -0.957 30.912 31.823 0.076 0.000 0.757 243 V HN 0.743 nan 8.190 nan 0.000 0.469 244 D N 0.472 120.868 120.400 -0.007 0.000 2.097 244 D HA -0.192 4.449 4.640 0.001 0.000 0.195 244 D C 1.681 177.900 176.300 -0.134 0.000 0.989 244 D CA 1.796 55.766 54.000 -0.051 0.000 0.827 244 D CB -0.196 40.597 40.800 -0.012 0.000 0.966 244 D HN 0.494 nan 8.370 nan 0.000 0.456 245 D N -0.137 120.192 120.400 -0.118 0.000 2.158 245 D HA -0.102 4.539 4.640 0.001 0.000 0.197 245 D C 2.214 178.336 176.300 -0.296 0.000 0.995 245 D CA 1.421 55.332 54.000 -0.148 0.000 0.846 245 D CB -0.573 40.165 40.800 -0.103 0.000 0.941 245 D HN 0.300 nan 8.370 nan 0.000 0.456 246 G N 0.154 108.689 108.800 -0.442 0.000 2.443 246 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 246 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 246 G C 1.483 175.509 174.900 -1.457 0.000 1.131 246 G CA 0.468 44.909 45.100 -1.099 0.000 0.775 246 G HN 0.230 nan 8.290 nan 0.000 0.547 247 K N 0.452 120.328 120.400 -0.873 0.000 2.044 247 K HA 0.187 4.508 4.320 0.001 0.000 0.204 247 K C 2.990 179.392 176.600 -0.330 0.000 1.049 247 K CA 0.787 56.637 56.287 -0.729 0.000 0.945 247 K CB -0.185 32.105 32.500 -0.350 0.000 0.724 247 K HN 0.214 nan 8.250 nan 0.000 0.440 248 A N 1.317 123.998 122.820 -0.232 0.000 1.851 248 A HA -0.163 4.158 4.320 0.001 0.000 0.216 248 A C 2.379 179.848 177.584 -0.190 0.000 1.195 248 A CA 1.724 53.674 52.037 -0.146 0.000 0.622 248 A CB -0.986 17.956 19.000 -0.095 0.000 0.831 248 A HN 0.074 nan 8.150 nan 0.000 0.444 249 V N -0.133 119.648 119.914 -0.223 0.000 2.453 249 V HA -0.296 3.825 4.120 0.001 0.000 0.252 249 V C 2.957 178.885 176.094 -0.277 0.000 1.068 249 V CA 2.032 64.207 62.300 -0.208 0.000 1.070 249 V CB -1.229 30.478 31.823 -0.195 0.000 0.664 249 V HN 0.658 nan 8.190 nan 0.000 0.461 250 A N -0.440 122.175 122.820 -0.341 0.000 1.872 250 A HA -0.218 4.102 4.320 0.001 0.000 0.214 250 A C 2.324 179.687 177.584 -0.368 0.000 1.187 250 A CA 1.671 53.535 52.037 -0.287 0.000 0.614 250 A CB -0.424 18.464 19.000 -0.186 0.000 0.826 250 A HN 0.614 nan 8.150 nan 0.000 0.442 251 E N 0.102 120.003 120.200 -0.499 0.000 2.047 251 E HA -0.120 4.231 4.350 0.001 0.000 0.191 251 E C 2.151 178.543 176.600 -0.347 0.000 0.987 251 E CA 1.095 56.981 56.400 -0.855 0.000 0.799 251 E CB -0.298 28.979 29.700 -0.706 0.000 0.752 251 E HN 0.469 nan 8.360 nan 0.000 0.449 252 A N 1.281 123.978 122.820 -0.205 0.000 1.883 252 A HA -0.201 4.120 4.320 0.001 0.000 0.217 252 A C 2.177 179.708 177.584 -0.089 0.000 1.186 252 A CA 1.624 53.599 52.037 -0.103 0.000 0.624 252 A CB -0.773 18.181 19.000 -0.076 0.000 0.822 252 A HN 0.406 nan 8.150 nan 0.000 0.444 253 L N -1.248 119.881 121.223 -0.156 0.000 2.005 253 L HA -0.037 4.304 4.340 0.001 0.000 0.207 253 L C 2.175 179.075 176.870 0.050 0.000 1.072 253 L CA 1.669 56.405 54.840 -0.172 0.000 0.744 253 L CB -0.556 41.266 42.059 -0.395 0.000 0.895 253 L HN 0.258 nan 8.230 nan 0.000 0.433 254 L N -0.280 120.960 121.223 0.028 0.000 2.201 254 L HA -0.100 4.241 4.340 0.001 0.000 0.212 254 L C 2.692 179.935 176.870 0.622 0.000 1.105 254 L CA 1.447 56.465 54.840 0.296 0.000 0.775 254 L CB -0.847 41.297 42.059 0.142 0.000 0.913 254 L HN 0.270 nan 8.230 nan 0.000 0.440 255 R N -0.732 120.006 120.500 0.395 0.000 2.115 255 R HA -0.118 4.223 4.340 0.001 0.000 0.230 255 R C 1.672 178.061 176.300 0.149 0.000 1.111 255 R CA 0.860 57.166 56.100 0.343 0.000 0.976 255 R CB -0.225 30.218 30.300 0.239 0.000 0.870 255 R HN 0.549 nan 8.270 nan 0.000 0.445 256 Q N -0.575 119.290 119.800 0.109 0.000 2.594 256 Q HA -0.089 4.251 4.340 0.001 0.000 0.219 256 Q C 0.229 175.989 176.000 -0.400 0.000 0.980 256 Q CA 0.745 56.460 55.803 -0.145 0.000 0.962 256 Q CB 0.109 28.705 28.738 -0.237 0.000 0.987 256 Q HN 0.329 nan 8.270 nan 0.000 0.553 257 F N -2.281 117.579 119.950 -0.150 0.000 2.798 257 F HA 0.319 4.846 4.527 0.001 0.000 0.328 257 F C 1.334 176.756 175.800 -0.630 0.000 1.098 257 F CA 0.131 57.955 58.000 -0.293 0.000 1.172 257 F CB 1.679 40.559 39.000 -0.200 0.000 1.072 257 F HN 0.091 nan 8.300 nan 0.000 0.555 258 G N 0.089 108.583 108.800 -0.510 0.000 2.428 258 G HA2 -0.217 3.744 3.960 0.001 0.000 0.199 258 G HA3 -0.217 3.744 3.960 0.001 0.000 0.199 258 G C 0.177 174.501 174.900 -0.960 0.000 1.005 258 G CA -0.809 43.772 45.100 -0.865 0.000 0.671 258 G HN 0.068 nan 8.290 nan 0.000 0.485 259 F N 2.211 121.842 119.950 -0.531 0.000 2.612 259 F HA 0.361 4.889 4.527 0.001 0.000 0.389 259 F C 1.571 177.118 175.800 -0.422 0.000 1.055 259 F CA 1.045 58.765 58.000 -0.466 0.000 1.232 259 F CB 0.579 39.489 39.000 -0.149 0.000 1.044 259 F HN 0.226 nan 8.300 nan 0.000 0.560 260 E N 1.445 121.411 120.200 -0.391 0.000 2.175 260 E HA 0.037 4.388 4.350 0.001 0.000 0.195 260 E C 0.191 176.546 176.600 -0.408 0.000 0.934 260 E CA 0.014 56.258 56.400 -0.260 0.000 0.870 260 E CB 0.266 29.910 29.700 -0.093 0.000 0.838 260 E HN 0.596 nan 8.360 nan 0.000 0.474 261 N N -0.253 118.128 118.700 -0.531 0.000 2.361 261 N HA 0.343 5.083 4.740 0.001 0.000 0.302 261 N C -1.549 173.519 175.510 -0.736 0.000 1.074 261 N CA -0.435 52.333 53.050 -0.471 0.000 0.850 261 N CB 0.968 39.339 38.487 -0.194 0.000 1.228 261 N HN -0.189 nan 8.380 nan 0.000 0.491 262 F N 1.400 121.460 119.950 0.183 0.000 2.532 262 F HA 0.577 5.105 4.527 0.001 0.000 0.321 262 F C 0.048 175.837 175.800 -0.018 0.000 1.089 262 F CA -0.863 57.195 58.000 0.098 0.000 0.926 262 F CB 1.605 40.505 39.000 -0.166 0.000 1.168 262 F HN 0.153 nan 8.300 nan 0.000 0.459 263 R N 2.654 123.194 120.500 0.066 0.000 2.538 263 R HA 0.484 4.824 4.340 0.001 0.000 0.292 263 R C -1.757 174.463 176.300 -0.133 0.000 1.008 263 R CA -0.878 55.129 56.100 -0.155 0.000 0.896 263 R CB 1.726 31.893 30.300 -0.221 0.000 1.187 263 R HN 0.594 nan 8.270 nan 0.000 0.440 264 F N 2.390 122.483 119.950 0.238 0.000 2.480 264 F HA 0.593 5.120 4.527 0.001 0.000 0.329 264 F C 0.877 176.759 175.800 0.138 0.000 1.091 264 F CA -1.071 57.068 58.000 0.231 0.000 0.972 264 F CB 2.038 41.167 39.000 0.216 0.000 1.150 264 F HN 0.252 nan 8.300 nan 0.000 0.467 265 R N 1.865 122.568 120.500 0.339 0.000 2.628 265 R HA 0.466 4.807 4.340 0.001 0.000 0.288 265 R C -1.285 175.076 176.300 0.102 0.000 0.980 265 R CA -1.150 55.052 56.100 0.170 0.000 0.891 265 R CB 1.553 31.931 30.300 0.130 0.000 1.188 265 R HN 0.344 nan 8.270 nan 0.000 0.450 266 K N 1.966 122.387 120.400 0.035 0.000 2.436 266 K HA -0.006 4.315 4.320 0.001 0.000 0.275 266 K C -0.428 176.166 176.600 -0.010 0.000 0.999 266 K CA 0.103 56.374 56.287 -0.027 0.000 0.980 266 K CB 0.541 33.026 32.500 -0.025 0.000 0.919 266 K HN 0.638 nan 8.250 nan 0.000 0.484 267 D N 1.947 122.317 120.400 -0.050 0.000 2.256 267 D HA 0.038 4.678 4.640 0.001 0.000 0.250 267 D C 0.664 176.966 176.300 0.004 0.000 1.093 267 D CA -0.019 53.975 54.000 -0.011 0.000 0.882 267 D CB 0.890 41.665 40.800 -0.041 0.000 1.185 267 D HN 0.370 nan 8.370 nan 0.000 0.437 268 E N 2.208 122.427 120.200 0.031 0.000 2.107 268 E HA -0.162 4.189 4.350 0.001 0.000 0.191 268 E C 1.471 178.099 176.600 0.045 0.000 0.982 268 E CA 0.552 56.973 56.400 0.035 0.000 0.809 268 E CB 0.166 29.891 29.700 0.041 0.000 0.756 268 E HN 0.383 nan 8.360 nan 0.000 0.459 269 K N 1.441 121.878 120.400 0.061 0.000 2.189 269 K HA -0.215 4.106 4.320 0.001 0.000 0.207 269 K C 0.348 177.001 176.600 0.087 0.000 1.046 269 K CA 1.343 57.681 56.287 0.085 0.000 0.928 269 K CB -0.086 32.483 32.500 0.115 0.000 0.720 269 K HN -0.035 nan 8.250 nan 0.000 0.458 270 R N 0.467 121.004 120.500 0.061 0.000 3.484 270 R HA -0.155 4.186 4.340 0.001 0.000 0.260 270 R C -0.805 175.542 176.300 0.079 0.000 1.053 270 R CA 0.442 56.572 56.100 0.050 0.000 0.703 270 R CB -2.510 27.816 30.300 0.043 0.000 1.089 270 R HN 0.192 nan 8.270 nan 0.000 0.459 271 S N 1.095 116.863 115.700 0.113 0.000 2.817 271 S HA -0.113 4.358 4.470 0.001 0.000 0.333 271 S C 1.408 176.025 174.600 0.028 0.000 1.227 271 S CA 0.038 58.322 58.200 0.140 0.000 1.027 271 S CB 0.523 63.765 63.200 0.071 0.000 0.732 271 S HN 0.192 nan 8.310 nan 0.000 0.499 272 K N 2.185 122.686 120.400 0.167 0.000 2.442 272 K HA -0.101 4.220 4.320 0.001 0.000 0.198 272 K C 1.390 178.008 176.600 0.030 0.000 1.042 272 K CA 1.080 57.437 56.287 0.116 0.000 0.958 272 K CB -0.349 32.266 32.500 0.193 0.000 0.766 272 K HN 0.928 nan 8.250 nan 0.000 0.474 273 Y N -2.235 117.974 120.300 -0.150 0.000 2.490 273 Y HA 0.183 4.734 4.550 0.001 0.000 0.281 273 Y C -0.136 175.695 175.900 -0.115 0.000 1.174 273 Y CA -0.825 57.098 58.100 -0.295 0.000 1.295 273 Y CB -0.379 37.684 38.460 -0.662 0.000 1.062 273 Y HN -0.213 nan 8.280 nan 0.000 0.522 274 Y N 1.672 121.794 120.300 -0.297 0.000 2.335 274 Y HA 0.402 4.953 4.550 0.001 0.000 0.338 274 Y C 0.270 176.146 175.900 -0.040 0.000 0.977 274 Y CA -2.524 55.497 58.100 -0.132 0.000 1.114 274 Y CB 0.840 39.131 38.460 -0.282 0.000 1.182 274 Y HN -0.075 nan 8.280 nan 0.000 0.463 275 I N 6.988 127.689 120.570 0.219 0.000 2.989 275 I HA -0.122 4.049 4.170 0.001 0.000 0.311 275 I C -1.777 174.388 176.117 0.079 0.000 1.221 275 I CA -0.906 60.471 61.300 0.128 0.000 1.449 275 I CB 0.392 38.464 38.000 0.119 0.000 1.325 275 I HN 0.361 nan 8.210 nan 0.000 0.557 276 P HA -0.081 nan 4.420 nan 0.000 0.260 276 P C -0.178 177.130 177.300 0.014 0.000 1.185 276 P CA 0.462 63.582 63.100 0.034 0.000 0.763 276 P CB 0.434 32.155 31.700 0.035 0.000 0.776 277 D N 1.658 122.054 120.400 -0.008 0.000 2.846 277 D HA -0.119 4.522 4.640 0.001 0.000 0.231 277 D C 0.684 176.950 176.300 -0.057 0.000 1.102 277 D CA 1.818 55.800 54.000 -0.029 0.000 0.744 277 D CB -1.351 39.443 40.800 -0.009 0.000 1.092 277 D HN 0.501 nan 8.370 nan 0.000 0.437 278 T N -3.747 110.747 114.554 -0.100 0.000 3.057 278 T HA 0.103 4.453 4.350 0.001 0.000 0.254 278 T C 0.984 175.468 174.700 -0.359 0.000 0.965 278 T CA 0.288 62.297 62.100 -0.152 0.000 0.978 278 T CB -0.127 68.694 68.868 -0.077 0.000 1.169 278 T HN 0.260 nan 8.240 nan 0.000 0.489 279 Q N 2.684 122.246 119.800 -0.397 0.000 2.264 279 Q HA 0.249 4.590 4.340 0.001 0.000 0.296 279 Q C -0.856 174.830 176.000 -0.523 0.000 1.103 279 Q CA 0.531 55.968 55.803 -0.610 0.000 0.967 279 Q CB -0.019 28.478 28.738 -0.402 0.000 1.090 279 Q HN 0.467 nan 8.270 nan 0.000 0.379 280 T N 3.678 117.744 114.554 -0.812 0.000 2.910 280 T HA 0.487 4.837 4.350 0.001 0.000 0.287 280 T C -0.946 173.514 174.700 -0.400 0.000 1.050 280 T CA -0.891 60.834 62.100 -0.626 0.000 1.011 280 T CB 1.393 69.709 68.868 -0.920 0.000 1.195 280 T HN 0.594 nan 8.240 nan 0.000 0.540 281 E N 1.388 121.540 120.200 -0.080 0.000 2.255 281 E HA 0.453 4.804 4.350 0.001 0.000 0.256 281 E C -0.637 176.120 176.600 0.262 0.000 0.887 281 E CA -0.742 55.691 56.400 0.055 0.000 0.782 281 E CB 1.854 31.615 29.700 0.102 0.000 1.214 281 E HN 0.538 nan 8.360 nan 0.000 0.417 282 V N 1.004 121.087 119.914 0.281 0.000 2.555 282 V HA 0.446 4.566 4.120 0.001 0.000 0.286 282 V C -0.663 175.497 176.094 0.109 0.000 1.044 282 V CA -0.027 62.572 62.300 0.499 0.000 1.026 282 V CB 0.036 32.176 31.823 0.529 0.000 0.981 282 V HN 0.455 nan 8.190 nan 0.000 0.480 283 F N 3.895 123.996 119.950 0.251 0.000 2.477 283 F HA 0.812 5.339 4.527 0.001 0.000 0.335 283 F C 0.487 176.498 175.800 0.352 0.000 1.130 283 F CA -0.067 58.079 58.000 0.244 0.000 0.948 283 F CB 1.821 40.938 39.000 0.195 0.000 1.154 283 F HN 0.945 nan 8.300 nan 0.000 0.439 284 A N 4.312 127.321 122.820 0.315 0.000 2.355 284 A HA 0.708 5.029 4.320 0.001 0.000 0.324 284 A C -1.700 175.843 177.584 -0.068 0.000 1.117 284 A CA -0.597 51.458 52.037 0.030 0.000 0.785 284 A CB 0.881 19.677 19.000 -0.340 0.000 1.254 284 A HN 0.696 nan 8.150 nan 0.000 0.453 285 F N 1.825 121.341 119.950 -0.724 0.000 2.415 285 F HA 0.578 5.106 4.527 0.001 0.000 0.348 285 F C -0.147 175.477 175.800 -0.293 0.000 1.119 285 F CA -0.107 57.348 58.000 -0.908 0.000 1.069 285 F CB 0.882 38.793 39.000 -1.816 0.000 1.124 285 F HN 0.722 nan 8.300 nan 0.000 0.472 286 H N 7.799 126.214 119.070 -1.093 0.000 2.906 286 H HA 0.307 4.864 4.556 0.001 0.000 0.324 286 H C -2.011 172.669 175.328 -1.080 0.000 0.973 286 H CA -2.503 52.980 56.048 -0.942 0.000 1.321 286 H CB 2.107 31.589 29.762 -0.467 0.000 1.535 286 H HN 0.400 nan 8.280 nan 0.000 0.518 287 P HA -0.245 nan 4.420 nan 0.000 0.220 287 P C 1.150 178.331 177.300 -0.198 0.000 1.144 287 P CA 1.139 64.015 63.100 -0.374 0.000 0.800 287 P CB 0.291 31.889 31.700 -0.169 0.000 0.772 288 K N -0.243 119.996 120.400 -0.268 0.000 2.442 288 K HA -0.052 4.268 4.320 0.001 0.000 0.198 288 K C 1.948 178.362 176.600 -0.310 0.000 1.044 288 K CA 0.563 56.605 56.287 -0.408 0.000 0.948 288 K CB -0.317 31.665 32.500 -0.864 0.000 0.762 288 K HN 0.183 nan 8.250 nan 0.000 0.472 289 L N 0.689 121.757 121.223 -0.257 0.000 2.286 289 L HA 0.062 4.403 4.340 0.001 0.000 0.203 289 L C 0.424 177.314 176.870 0.032 0.000 1.068 289 L CA -0.184 54.608 54.840 -0.080 0.000 0.811 289 L CB 0.272 42.319 42.059 -0.019 0.000 0.989 289 L HN -0.017 nan 8.230 nan 0.000 0.467 290 V N 0.323 120.276 119.914 0.066 0.000 2.539 290 V HA 0.261 4.382 4.120 0.001 0.000 0.294 290 V C 1.062 177.206 176.094 0.082 0.000 0.994 290 V CA 0.656 63.038 62.300 0.136 0.000 1.169 290 V CB -0.717 31.224 31.823 0.197 0.000 0.898 290 V HN 0.617 nan 8.190 nan 0.000 0.471 291 G N 2.249 111.100 108.800 0.085 0.000 2.201 291 G HA2 -0.227 3.733 3.960 0.001 0.000 0.212 291 G HA3 -0.227 3.733 3.960 0.001 0.000 0.212 291 G C 0.451 175.380 174.900 0.048 0.000 0.994 291 G CA 0.206 45.340 45.100 0.058 0.000 0.644 291 G HN 1.560 nan 8.290 nan 0.000 0.508 292 S N 0.246 115.982 115.700 0.060 0.000 2.558 292 S HA 0.385 4.856 4.470 0.001 0.000 0.287 292 S C 1.264 175.893 174.600 0.048 0.000 1.321 292 S CA 0.923 59.158 58.200 0.058 0.000 1.048 292 S CB 0.526 63.785 63.200 0.098 0.000 0.844 292 S HN 0.752 nan 8.310 nan 0.000 0.512 293 S N 3.306 119.027 115.700 0.034 0.000 3.811 293 S HA 0.315 4.786 4.470 0.001 0.000 0.205 293 S C 0.251 174.854 174.600 0.005 0.000 1.445 293 S CA -0.207 58.004 58.200 0.019 0.000 1.097 293 S CB -0.699 62.509 63.200 0.014 0.000 1.350 293 S HN 0.766 nan 8.310 nan 0.000 0.471 294 T N -0.290 114.262 114.554 -0.005 0.000 2.649 294 T HA 0.259 4.609 4.350 0.001 0.000 0.305 294 T C -0.592 174.049 174.700 -0.099 0.000 1.409 294 T CA -0.593 61.459 62.100 -0.079 0.000 1.021 294 T CB 0.605 69.393 68.868 -0.133 0.000 1.726 294 T HN -0.089 nan 8.240 nan 0.000 0.475 295 K N 0.909 121.158 120.400 -0.252 0.000 2.476 295 K HA 0.222 4.542 4.320 0.001 0.000 0.196 295 K C 0.139 176.720 176.600 -0.031 0.000 1.025 295 K CA 0.357 56.549 56.287 -0.158 0.000 1.138 295 K CB -0.381 32.012 32.500 -0.178 0.000 0.860 295 K HN 0.595 nan 8.250 nan 0.000 0.515 296 Y N -0.485 119.887 120.300 0.119 0.000 2.658 296 Y HA 0.081 4.632 4.550 0.001 0.000 0.276 296 Y C 2.006 177.991 175.900 0.142 0.000 1.167 296 Y CA -0.452 57.739 58.100 0.150 0.000 1.230 296 Y CB 0.751 39.286 38.460 0.126 0.000 1.144 296 Y HN -0.019 nan 8.280 nan 0.000 0.529 297 S N 0.879 116.717 115.700 0.230 0.000 2.406 297 S HA -0.170 4.301 4.470 0.001 0.000 0.228 297 S C 1.729 176.460 174.600 0.219 0.000 1.020 297 S CA 1.794 60.100 58.200 0.177 0.000 0.965 297 S CB -0.225 63.042 63.200 0.112 0.000 0.798 297 S HN 0.708 nan 8.310 nan 0.000 0.488 298 D N -0.094 120.463 120.400 0.262 0.000 2.384 298 D HA 0.108 4.749 4.640 0.001 0.000 0.222 298 D C 1.461 178.029 176.300 0.446 0.000 0.976 298 D CA 1.118 55.304 54.000 0.311 0.000 0.915 298 D CB -0.929 40.059 40.800 0.313 0.000 0.896 298 D HN 0.549 nan 8.370 nan 0.000 0.523 299 G N -0.963 108.093 108.800 0.426 0.000 2.284 299 G HA2 -0.258 3.703 3.960 0.001 0.000 0.230 299 G HA3 -0.258 3.703 3.960 0.001 0.000 0.230 299 G C -0.140 174.982 174.900 0.369 0.000 1.021 299 G CA -0.030 45.337 45.100 0.446 0.000 0.619 299 G HN 0.251 nan 8.290 nan 0.000 0.510 300 W N 0.686 122.238 121.300 0.421 0.000 2.303 300 W HA 0.818 5.479 4.660 0.001 0.000 0.334 300 W C 0.549 177.238 176.519 0.284 0.000 1.197 300 W CA -0.426 57.125 57.345 0.343 0.000 1.262 300 W CB 0.818 30.446 29.460 0.280 0.000 1.153 300 W HN 0.313 nan 8.180 nan 0.000 0.596 301 I N 0.826 121.669 120.570 0.455 0.000 2.787 301 I HA 0.155 4.326 4.170 0.001 0.000 0.294 301 I C -0.910 175.212 176.117 0.008 0.000 1.365 301 I CA -0.969 60.418 61.300 0.145 0.000 1.029 301 I CB 1.825 39.626 38.000 -0.332 0.000 1.313 301 I HN 0.508 nan 8.210 nan 0.000 0.431 302 E N 5.787 125.826 120.200 -0.268 0.000 2.299 302 E HA 0.107 4.458 4.350 0.001 0.000 0.272 302 E C -0.325 176.023 176.600 -0.420 0.000 1.043 302 E CA 0.086 55.926 56.400 -0.934 0.000 0.895 302 E CB 1.133 30.262 29.700 -0.953 0.000 1.011 302 E HN 0.632 nan 8.360 nan 0.000 0.432 303 I N 4.030 124.387 120.570 -0.355 0.000 4.288 303 I HA 0.395 4.566 4.170 0.001 0.000 0.331 303 I C -0.552 175.472 176.117 -0.156 0.000 1.322 303 I CA 0.192 61.337 61.300 -0.258 0.000 1.149 303 I CB 0.802 38.563 38.000 -0.399 0.000 1.112 303 I HN 0.554 nan 8.210 nan 0.000 0.403 304 A N -0.799 121.956 122.820 -0.109 0.000 2.597 304 A HA 0.666 4.987 4.320 0.001 0.000 0.292 304 A C -0.479 177.144 177.584 0.064 0.000 1.057 304 A CA 0.069 52.109 52.037 0.004 0.000 0.674 304 A CB 0.423 19.434 19.000 0.019 0.000 1.278 304 A HN 0.149 nan 8.150 nan 0.000 0.416 305 T N -1.238 113.385 114.554 0.116 0.000 2.930 305 T HA 0.963 5.314 4.350 0.001 0.000 0.290 305 T C -0.545 174.265 174.700 0.184 0.000 1.052 305 T CA -0.193 61.963 62.100 0.092 0.000 1.017 305 T CB 1.430 70.342 68.868 0.073 0.000 1.137 305 T HN 2.046 nan 8.240 nan 0.000 0.511 306 F N -1.824 118.051 119.950 -0.124 0.000 2.769 306 F HA 0.791 5.318 4.527 0.001 0.000 0.313 306 F C -0.633 174.852 175.800 -0.524 0.000 1.146 306 F CA -0.459 57.413 58.000 -0.212 0.000 0.934 306 F CB 0.877 39.770 39.000 -0.178 0.000 1.283 306 F HN 1.067 nan 8.300 nan 0.000 0.443 307 G N 0.878 109.341 108.800 -0.563 0.000 2.634 307 G HA2 0.638 4.598 3.960 0.001 0.000 0.309 307 G HA3 0.638 4.598 3.960 0.001 0.000 0.309 307 G C -2.275 172.581 174.900 -0.072 0.000 1.299 307 G CA -0.970 43.621 45.100 -0.848 0.000 0.798 307 G HN 0.831 nan 8.290 nan 0.000 0.490 308 I N 1.159 121.811 120.570 0.137 0.000 2.411 308 I HA 0.257 4.428 4.170 0.001 0.000 0.284 308 I C -0.462 175.935 176.117 0.467 0.000 1.012 308 I CA -0.623 60.820 61.300 0.239 0.000 1.119 308 I CB 1.533 39.605 38.000 0.120 0.000 1.261 308 I HN 0.488 nan 8.210 nan 0.000 0.448 309 Y N 3.782 124.264 120.300 0.303 0.000 2.969 309 Y HA -0.138 4.412 4.550 0.001 0.000 0.339 309 Y C 1.407 177.447 175.900 0.233 0.000 1.272 309 Y CA -0.055 58.208 58.100 0.272 0.000 1.577 309 Y CB 0.528 39.107 38.460 0.199 0.000 1.234 309 Y HN 0.564 nan 8.280 nan 0.000 0.590 310 S N 5.039 120.946 115.700 0.345 0.000 2.549 310 S HA 0.070 4.541 4.470 0.001 0.000 0.283 310 S C -1.491 173.222 174.600 0.189 0.000 1.320 310 S CA -1.447 56.876 58.200 0.204 0.000 1.058 310 S CB 0.958 64.230 63.200 0.121 0.000 0.882 310 S HN 0.404 nan 8.310 nan 0.000 0.498 311 P HA -0.088 nan 4.420 nan 0.000 0.221 311 P C 1.560 178.909 177.300 0.082 0.000 1.145 311 P CA 1.294 64.463 63.100 0.116 0.000 0.795 311 P CB -0.212 31.537 31.700 0.081 0.000 0.775 312 T N -2.997 111.593 114.554 0.060 0.000 2.777 312 T HA -0.094 4.256 4.350 0.001 0.000 0.266 312 T C 1.870 176.560 174.700 -0.017 0.000 1.040 312 T CA 1.312 63.424 62.100 0.019 0.000 1.141 312 T CB -1.049 67.827 68.868 0.014 0.000 0.868 312 T HN 0.008 nan 8.240 nan 0.000 0.444 313 A N 1.680 124.479 122.820 -0.034 0.000 1.874 313 A HA 0.274 4.595 4.320 0.001 0.000 0.214 313 A C 2.428 179.993 177.584 -0.031 0.000 1.189 313 A CA 0.801 52.713 52.037 -0.209 0.000 0.615 313 A CB -0.694 17.995 19.000 -0.517 0.000 0.830 313 A HN 0.399 nan 8.150 nan 0.000 0.443 314 L N -0.027 121.338 121.223 0.237 0.000 2.013 314 L HA -0.224 4.117 4.340 0.001 0.000 0.212 314 L C 3.051 180.054 176.870 0.222 0.000 1.073 314 L CA 2.204 57.268 54.840 0.373 0.000 0.753 314 L CB -1.841 40.408 42.059 0.317 0.000 0.890 314 L HN 0.455 nan 8.230 nan 0.000 0.432 315 A N -0.460 122.428 122.820 0.114 0.000 1.917 315 A HA -0.274 4.047 4.320 0.001 0.000 0.219 315 A C 2.248 179.842 177.584 0.016 0.000 1.182 315 A CA 1.916 53.983 52.037 0.050 0.000 0.633 315 A CB -0.587 18.424 19.000 0.018 0.000 0.819 315 A HN 0.384 nan 8.150 nan 0.000 0.448 316 E N -1.319 118.864 120.200 -0.028 0.000 2.209 316 E HA -0.170 4.180 4.350 0.001 0.000 0.196 316 E C 0.793 177.231 176.600 -0.270 0.000 0.993 316 E CA 1.343 57.635 56.400 -0.181 0.000 0.819 316 E CB -0.307 29.222 29.700 -0.285 0.000 0.745 316 E HN 0.798 nan 8.360 nan 0.000 0.477 317 Y N -0.983 119.319 120.300 0.004 0.000 2.531 317 Y HA 0.213 4.764 4.550 0.001 0.000 0.249 317 Y C 0.309 176.229 175.900 0.034 0.000 1.168 317 Y CA 0.036 58.161 58.100 0.040 0.000 1.226 317 Y CB 0.869 39.402 38.460 0.120 0.000 1.177 317 Y HN -0.131 nan 8.280 nan 0.000 0.527 318 D N -0.333 120.149 120.400 0.136 0.000 3.099 318 D HA -0.143 4.498 4.640 0.001 0.000 0.213 318 D C -0.742 175.605 176.300 0.079 0.000 1.121 318 D CA 0.456 54.501 54.000 0.076 0.000 0.951 318 D CB -0.940 39.888 40.800 0.047 0.000 1.102 318 D HN 0.054 nan 8.370 nan 0.000 0.423 319 I N 1.739 122.391 120.570 0.137 0.000 2.406 319 I HA 0.096 4.267 4.170 0.001 0.000 0.293 319 I C -0.556 175.578 176.117 0.028 0.000 1.101 319 I CA -1.756 59.615 61.300 0.117 0.000 1.334 319 I CB 0.015 38.135 38.000 0.199 0.000 1.421 319 I HN -0.084 nan 8.210 nan 0.000 0.513 320 P HA -0.109 nan 4.420 nan 0.000 0.215 320 P C 0.182 177.298 177.300 -0.306 0.000 1.157 320 P CA 1.193 64.105 63.100 -0.313 0.000 0.856 320 P CB 0.165 31.503 31.700 -0.603 0.000 0.786 321 Y N 1.303 121.630 120.300 0.046 0.000 2.300 321 Y HA 0.297 4.848 4.550 0.001 0.000 0.328 321 Y C -1.270 174.657 175.900 0.045 0.000 1.270 321 Y CA -2.825 55.295 58.100 0.034 0.000 1.352 321 Y CB -1.016 37.450 38.460 0.010 0.000 1.286 321 Y HN 0.002 nan 8.280 nan 0.000 0.536 322 P HA 0.131 nan 4.420 nan 0.000 0.280 322 P C -0.987 176.364 177.300 0.084 0.000 1.278 322 P CA -0.075 63.106 63.100 0.135 0.000 0.787 322 P CB 1.005 32.766 31.700 0.102 0.000 1.163 323 V N 0.009 119.937 119.914 0.022 0.000 2.789 323 V HA 0.222 4.342 4.120 0.001 0.000 0.300 323 V C -0.209 175.740 176.094 -0.243 0.000 1.184 323 V CA -0.514 61.702 62.300 -0.141 0.000 0.930 323 V CB 1.929 33.624 31.823 -0.213 0.000 1.041 323 V HN 0.568 nan 8.190 nan 0.000 0.430 324 M N 4.784 124.237 119.600 -0.245 0.000 2.264 324 M HA 0.526 5.007 4.480 0.001 0.000 0.352 324 M C -0.657 175.446 176.300 -0.330 0.000 1.173 324 M CA 0.061 55.240 55.300 -0.201 0.000 1.075 324 M CB 1.069 33.593 32.600 -0.127 0.000 1.621 324 M HN 0.900 nan 8.290 nan 0.000 0.457 325 N N 5.417 123.976 118.700 -0.235 0.000 2.461 325 N HA 0.335 5.076 4.740 0.001 0.000 0.284 325 N C -2.107 173.446 175.510 0.072 0.000 1.049 325 N CA -0.604 52.317 53.050 -0.216 0.000 0.889 325 N CB 1.549 39.809 38.487 -0.378 0.000 1.365 325 N HN 0.583 nan 8.380 nan 0.000 0.499 326 L N 3.427 124.666 121.223 0.027 0.000 2.322 326 L HA 0.739 5.080 4.340 0.001 0.000 0.281 326 L C -0.368 176.609 176.870 0.177 0.000 1.014 326 L CA -0.185 54.720 54.840 0.109 0.000 0.815 326 L CB 0.861 42.886 42.059 -0.057 0.000 1.247 326 L HN 0.712 nan 8.230 nan 0.000 0.421 327 G N 5.554 114.492 108.800 0.230 0.000 2.530 327 G HA2 0.536 4.496 3.960 0.001 0.000 0.316 327 G HA3 0.536 4.496 3.960 0.001 0.000 0.316 327 G C -1.714 173.308 174.900 0.203 0.000 1.298 327 G CA -0.401 44.849 45.100 0.251 0.000 0.948 327 G HN 0.464 nan 8.290 nan 0.000 0.486 328 L N 2.857 124.201 121.223 0.202 0.000 2.325 328 L HA 0.674 5.015 4.340 0.001 0.000 0.281 328 L C 0.637 177.600 176.870 0.155 0.000 1.004 328 L CA -0.560 54.357 54.840 0.127 0.000 0.823 328 L CB 1.038 43.143 42.059 0.076 0.000 1.236 328 L HN 0.592 nan 8.230 nan 0.000 0.415 329 G N 4.414 113.289 108.800 0.125 0.000 2.508 329 G HA2 0.383 4.344 3.960 0.001 0.000 0.301 329 G HA3 0.383 4.344 3.960 0.001 0.000 0.301 329 G C 0.961 175.939 174.900 0.130 0.000 0.965 329 G CA -0.331 44.871 45.100 0.169 0.000 1.339 329 G HN 0.587 nan 8.290 nan 0.000 0.455 330 V N 3.226 123.241 119.914 0.169 0.000 2.214 330 V HA -0.250 3.870 4.120 0.001 0.000 0.247 330 V C 2.714 178.863 176.094 0.092 0.000 1.051 330 V CA 2.398 64.769 62.300 0.118 0.000 1.003 330 V CB -0.662 31.249 31.823 0.145 0.000 0.635 330 V HN 0.666 nan 8.190 nan 0.000 0.447 331 E N -0.322 119.957 120.200 0.132 0.000 2.208 331 E HA -0.290 4.061 4.350 0.001 0.000 0.202 331 E C 2.214 178.856 176.600 0.069 0.000 1.014 331 E CA 1.923 58.375 56.400 0.085 0.000 0.819 331 E CB -0.393 29.378 29.700 0.119 0.000 0.735 331 E HN 0.568 nan 8.360 nan 0.000 0.469 332 R N 0.354 120.901 120.500 0.078 0.000 2.062 332 R HA -0.065 4.276 4.340 0.001 0.000 0.231 332 R C 2.308 178.636 176.300 0.048 0.000 1.136 332 R CA 1.169 57.304 56.100 0.059 0.000 0.948 332 R CB -0.493 29.827 30.300 0.035 0.000 0.845 332 R HN 0.238 nan 8.270 nan 0.000 0.430 333 L N 0.559 121.801 121.223 0.032 0.000 2.012 333 L HA -0.187 4.154 4.340 0.001 0.000 0.210 333 L C 2.555 179.460 176.870 0.057 0.000 1.073 333 L CA 1.631 56.488 54.840 0.029 0.000 0.748 333 L CB -0.548 41.468 42.059 -0.070 0.000 0.891 333 L HN 0.492 nan 8.230 nan 0.000 0.431 334 A N -0.360 122.504 122.820 0.073 0.000 1.917 334 A HA -0.302 4.019 4.320 0.001 0.000 0.219 334 A C 2.192 179.872 177.584 0.160 0.000 1.182 334 A CA 2.259 54.381 52.037 0.142 0.000 0.633 334 A CB -0.514 18.514 19.000 0.046 0.000 0.819 334 A HN 0.476 nan 8.150 nan 0.000 0.448 335 M N -0.688 118.969 119.600 0.095 0.000 2.086 335 M HA -0.106 4.375 4.480 0.001 0.000 0.261 335 M C 2.038 178.418 176.300 0.133 0.000 1.067 335 M CA 1.257 56.641 55.300 0.140 0.000 1.116 335 M CB -0.458 32.221 32.600 0.133 0.000 1.348 335 M HN 0.313 nan 8.290 nan 0.000 0.407 336 I N 0.734 121.346 120.570 0.069 0.000 2.151 336 I HA -0.292 3.878 4.170 0.001 0.000 0.243 336 I C 2.368 178.435 176.117 -0.083 0.000 1.080 336 I CA 1.827 63.126 61.300 -0.001 0.000 1.339 336 I CB -1.288 36.730 38.000 0.030 0.000 1.039 336 I HN 0.367 nan 8.210 nan 0.000 0.409 337 L N -0.652 120.516 121.223 -0.092 0.000 1.976 337 L HA -0.247 4.094 4.340 0.001 0.000 0.209 337 L C 2.386 178.998 176.870 -0.429 0.000 1.071 337 L CA 1.796 56.456 54.840 -0.301 0.000 0.746 337 L CB -0.853 40.953 42.059 -0.422 0.000 0.890 337 L HN 0.183 nan 8.230 nan 0.000 0.432 338 Y N -0.273 120.094 120.300 0.112 0.000 2.466 338 Y HA 0.254 4.805 4.550 0.001 0.000 0.272 338 Y C 1.546 177.582 175.900 0.226 0.000 1.169 338 Y CA 0.239 58.454 58.100 0.191 0.000 1.285 338 Y CB -0.137 38.494 38.460 0.286 0.000 1.078 338 Y HN 0.297 nan 8.280 nan 0.000 0.523 339 G N 0.178 109.117 108.800 0.231 0.000 2.314 339 G HA2 -0.320 3.641 3.960 0.001 0.000 0.292 339 G HA3 -0.320 3.641 3.960 0.001 0.000 0.292 339 G C -0.679 174.319 174.900 0.163 0.000 1.059 339 G CA -0.302 44.885 45.100 0.145 0.000 0.982 339 G HN 0.293 nan 8.290 nan 0.000 0.505 340 Y N -0.705 119.636 120.300 0.068 0.000 2.352 340 Y HA 0.504 5.055 4.550 0.001 0.000 0.326 340 Y C 1.317 177.260 175.900 0.070 0.000 1.166 340 Y CA -0.701 57.435 58.100 0.060 0.000 1.182 340 Y CB 1.518 40.008 38.460 0.051 0.000 1.216 340 Y HN 0.171 nan 8.280 nan 0.000 0.474 341 D N -0.555 119.963 120.400 0.197 0.000 2.338 341 D HA -0.043 4.598 4.640 0.001 0.000 0.224 341 D C -0.443 175.953 176.300 0.161 0.000 0.967 341 D CA 0.702 54.795 54.000 0.155 0.000 0.896 341 D CB 0.402 41.260 40.800 0.097 0.000 1.028 341 D HN 0.373 nan 8.370 nan 0.000 0.493 342 D N 0.308 120.810 120.400 0.171 0.000 2.412 342 D HA 0.064 4.705 4.640 0.001 0.000 0.224 342 D C 1.171 177.572 176.300 0.167 0.000 1.093 342 D CA -0.277 53.820 54.000 0.162 0.000 0.850 342 D CB 1.475 42.375 40.800 0.167 0.000 1.046 342 D HN -0.207 nan 8.370 nan 0.000 0.507 343 V N 5.549 125.547 119.914 0.139 0.000 2.277 343 V HA -0.333 3.787 4.120 0.001 0.000 0.253 343 V C 2.295 178.440 176.094 0.085 0.000 1.067 343 V CA 2.095 64.457 62.300 0.103 0.000 1.047 343 V CB -0.190 31.696 31.823 0.105 0.000 0.649 343 V HN 0.625 nan 8.190 nan 0.000 0.447 344 R N -0.418 120.151 120.500 0.116 0.000 2.081 344 R HA -0.172 4.169 4.340 0.001 0.000 0.235 344 R C 2.302 178.536 176.300 -0.109 0.000 1.131 344 R CA 1.594 57.727 56.100 0.055 0.000 0.960 344 R CB -0.417 29.979 30.300 0.159 0.000 0.856 344 R HN 0.481 nan 8.270 nan 0.000 0.436 345 K N 0.278 120.724 120.400 0.077 0.000 2.442 345 K HA -0.095 4.225 4.320 0.001 0.000 0.198 345 K C 1.938 178.637 176.600 0.165 0.000 1.044 345 K CA 0.881 57.248 56.287 0.133 0.000 0.948 345 K CB 0.048 32.683 32.500 0.224 0.000 0.762 345 K HN 0.252 nan 8.250 nan 0.000 0.472 346 M N -0.250 119.415 119.600 0.107 0.000 2.329 346 M HA -0.072 4.409 4.480 0.001 0.000 0.244 346 M C 2.046 178.197 176.300 -0.249 0.000 1.156 346 M CA 1.017 56.247 55.300 -0.116 0.000 1.192 346 M CB -0.275 32.085 32.600 -0.401 0.000 1.241 346 M HN -0.042 nan 8.290 nan 0.000 0.465 347 V N 0.425 120.220 119.914 -0.198 0.000 2.453 347 V HA -0.240 3.881 4.120 0.001 0.000 0.252 347 V C 0.013 175.819 176.094 -0.479 0.000 1.068 347 V CA 1.655 63.784 62.300 -0.285 0.000 1.070 347 V CB -0.483 31.098 31.823 -0.404 0.000 0.664 347 V HN 0.609 nan 8.190 nan 0.000 0.461 348 Y N 0.714 120.959 120.300 -0.092 0.000 2.495 348 Y HA 0.446 4.997 4.550 0.001 0.000 0.362 348 Y C -1.691 174.109 175.900 -0.166 0.000 0.956 348 Y CA -1.876 56.147 58.100 -0.128 0.000 1.127 348 Y CB 0.786 39.124 38.460 -0.203 0.000 1.173 348 Y HN 0.243 nan 8.280 nan 0.000 0.639 349 P HA -0.101 nan 4.420 nan 0.000 0.227 349 P C 0.927 178.303 177.300 0.126 0.000 1.161 349 P CA 0.974 64.131 63.100 0.094 0.000 0.788 349 P CB 0.684 32.434 31.700 0.082 0.000 0.822 350 Q N -0.059 119.807 119.800 0.110 0.000 2.170 350 Q HA -0.071 4.270 4.340 0.001 0.000 0.203 350 Q C 2.245 178.309 176.000 0.106 0.000 0.976 350 Q CA 1.415 57.268 55.803 0.084 0.000 0.858 350 Q CB -0.857 27.927 28.738 0.076 0.000 0.907 350 Q HN 0.335 nan 8.270 nan 0.000 0.433 351 I N -1.016 119.666 120.570 0.188 0.000 2.270 351 I HA -0.144 4.027 4.170 0.001 0.000 0.239 351 I C 0.546 176.879 176.117 0.360 0.000 1.080 351 I CA 0.409 61.860 61.300 0.252 0.000 1.383 351 I CB -0.186 38.003 38.000 0.314 0.000 1.097 351 I HN 0.162 nan 8.210 nan 0.000 0.420 352 H N 1.932 121.090 119.070 0.147 0.000 4.154 352 H HA 0.115 4.672 4.556 0.001 0.000 0.224 352 H C 1.558 177.013 175.328 0.211 0.000 1.227 352 H CA 0.087 56.233 56.048 0.162 0.000 1.274 352 H CB -1.227 28.623 29.762 0.148 0.000 1.426 352 H HN 0.473 nan 8.280 nan 0.000 0.788 353 G N 0.329 109.363 108.800 0.390 0.000 2.391 353 G HA2 -0.389 3.571 3.960 0.001 0.000 0.261 353 G HA3 -0.389 3.571 3.960 0.001 0.000 0.261 353 G C 0.501 175.665 174.900 0.439 0.000 0.985 353 G CA 0.615 46.056 45.100 0.568 0.000 0.638 353 G HN 0.436 nan 8.290 nan 0.000 0.562 354 E N 0.942 121.317 120.200 0.292 0.000 2.161 354 E HA 0.389 4.740 4.350 0.001 0.000 0.263 354 E C 0.818 177.517 176.600 0.165 0.000 1.185 354 E CA 0.636 57.163 56.400 0.213 0.000 0.938 354 E CB -0.325 29.477 29.700 0.168 0.000 1.023 354 E HN 0.901 nan 8.360 nan 0.000 0.433 355 I N -0.714 119.968 120.570 0.187 0.000 2.680 355 I HA 0.562 4.732 4.170 0.001 0.000 0.291 355 I C -0.854 175.399 176.117 0.227 0.000 1.244 355 I CA -1.167 60.220 61.300 0.144 0.000 1.042 355 I CB 2.136 40.191 38.000 0.092 0.000 1.277 355 I HN -0.024 nan 8.210 nan 0.000 0.423 356 K N 5.707 126.188 120.400 0.135 0.000 2.443 356 K HA 0.841 5.161 4.320 0.001 0.000 0.251 356 K C -2.057 174.545 176.600 0.003 0.000 0.972 356 K CA -0.570 55.816 56.287 0.166 0.000 0.833 356 K CB 2.310 34.872 32.500 0.104 0.000 1.317 356 K HN 0.825 nan 8.250 nan 0.000 0.441 357 L N 1.871 123.094 121.223 0.000 0.000 2.388 357 L HA 0.516 4.857 4.340 0.001 0.000 0.264 357 L C -0.282 176.575 176.870 -0.020 0.000 0.998 357 L CA -1.220 53.532 54.840 -0.147 0.000 0.817 357 L CB 2.161 43.969 42.059 -0.419 0.000 1.338 357 L HN 0.902 nan 8.230 nan 0.000 0.414 358 S N -0.876 114.804 115.700 -0.034 0.000 2.632 358 S HA 0.167 4.638 4.470 0.001 0.000 0.267 358 S C 0.404 175.001 174.600 -0.005 0.000 1.276 358 S CA -0.594 57.607 58.200 0.001 0.000 0.998 358 S CB 1.312 64.517 63.200 0.009 0.000 0.953 358 S HN 0.611 nan 8.310 nan 0.000 0.547 359 D N 0.393 120.799 120.400 0.010 0.000 2.144 359 D HA -0.090 4.550 4.640 0.001 0.000 0.199 359 D C 1.758 178.039 176.300 -0.032 0.000 0.984 359 D CA 0.853 54.852 54.000 -0.002 0.000 0.834 359 D CB -0.468 40.349 40.800 0.028 0.000 0.955 359 D HN 0.444 nan 8.370 nan 0.000 0.465 360 L N 1.143 122.353 121.223 -0.023 0.000 2.079 360 L HA -0.151 4.189 4.340 0.001 0.000 0.210 360 L C 1.458 178.283 176.870 -0.075 0.000 1.081 360 L CA 1.814 56.627 54.840 -0.045 0.000 0.752 360 L CB -0.422 41.640 42.059 0.006 0.000 0.896 360 L HN -0.137 nan 8.230 nan 0.000 0.433 361 D N -0.479 119.884 120.400 -0.062 0.000 2.091 361 D HA -0.125 4.516 4.640 0.001 0.000 0.199 361 D C 2.320 178.556 176.300 -0.107 0.000 0.980 361 D CA 1.345 55.291 54.000 -0.090 0.000 0.831 361 D CB 0.012 40.748 40.800 -0.106 0.000 0.987 361 D HN 0.241 nan 8.370 nan 0.000 0.460 362 I N 1.889 122.406 120.570 -0.088 0.000 2.145 362 I HA -0.300 3.871 4.170 0.001 0.000 0.244 362 I C 2.516 178.575 176.117 -0.096 0.000 1.075 362 I CA 0.881 62.136 61.300 -0.075 0.000 1.332 362 I CB -1.491 36.490 38.000 -0.032 0.000 1.033 362 I HN -0.119 nan 8.210 nan 0.000 0.410 363 A N 0.994 123.751 122.820 -0.104 0.000 1.849 363 A HA -0.312 4.008 4.320 0.001 0.000 0.216 363 A C 2.513 180.005 177.584 -0.155 0.000 1.225 363 A CA 2.479 54.438 52.037 -0.131 0.000 0.653 363 A CB -1.142 17.768 19.000 -0.149 0.000 0.844 363 A HN 0.375 nan 8.150 nan 0.000 0.453 364 R N -0.698 119.694 120.500 -0.180 0.000 2.208 364 R HA -0.242 4.099 4.340 0.001 0.000 0.262 364 R C 1.765 177.966 176.300 -0.165 0.000 1.166 364 R CA 2.060 58.047 56.100 -0.188 0.000 0.987 364 R CB -0.324 29.876 30.300 -0.167 0.000 0.887 364 R HN 0.624 nan 8.270 nan 0.000 0.459 365 E N 0.122 120.232 120.200 -0.151 0.000 2.418 365 E HA -0.056 4.295 4.350 0.001 0.000 0.197 365 E C 0.332 176.803 176.600 -0.215 0.000 1.026 365 E CA 0.486 56.790 56.400 -0.161 0.000 0.862 365 E CB 0.043 29.669 29.700 -0.123 0.000 0.799 365 E HN 0.440 nan 8.360 nan 0.000 0.518 366 I N 3.228 123.688 120.570 -0.184 0.000 2.308 366 I HA 0.019 4.190 4.170 0.001 0.000 0.293 366 I C 0.359 176.359 176.117 -0.195 0.000 1.078 366 I CA 0.061 61.253 61.300 -0.181 0.000 1.292 366 I CB 0.253 38.187 38.000 -0.110 0.000 1.423 366 I HN -0.180 nan 8.210 nan 0.000 0.493 367 K N 5.055 125.274 120.400 -0.300 0.000 2.435 367 K HA 0.603 4.924 4.320 0.001 0.000 0.251 367 K C -0.962 175.662 176.600 0.040 0.000 0.954 367 K CA -0.987 55.183 56.287 -0.195 0.000 0.820 367 K CB 2.051 34.390 32.500 -0.268 0.000 1.292 367 K HN 0.074 nan 8.250 nan 0.000 0.436 368 V N 3.112 123.083 119.914 0.095 0.000 2.540 368 V HA -0.074 4.046 4.120 0.001 0.000 0.297 368 V C 1.441 177.691 176.094 0.260 0.000 1.024 368 V CA 0.152 62.543 62.300 0.152 0.000 1.105 368 V CB 0.599 32.411 31.823 -0.019 0.000 0.938 368 V HN 0.856 nan 8.190 nan 0.000 0.482 369 K N 4.731 125.268 120.400 0.227 0.000 1.979 369 K HA 0.017 4.338 4.320 0.001 0.000 0.213 369 K C 0.654 177.202 176.600 -0.087 0.000 1.036 369 K CA 1.353 57.624 56.287 -0.027 0.000 0.954 369 K CB 0.030 32.475 32.500 -0.092 0.000 0.743 369 K HN 0.763 nan 8.250 nan 0.000 0.443 370 E N 0.429 120.582 120.200 -0.078 0.000 2.146 370 E HA 0.293 4.644 4.350 0.001 0.000 0.282 370 E C -1.434 175.127 176.600 -0.066 0.000 0.989 370 E CA -0.542 55.779 56.400 -0.132 0.000 0.799 370 E CB 2.051 31.585 29.700 -0.277 0.000 1.088 370 E HN 0.070 nan 8.360 nan 0.000 0.397 371 V N 4.571 124.440 119.914 -0.075 0.000 2.789 371 V HA 0.355 4.476 4.120 0.001 0.000 0.311 371 V C -2.578 173.488 176.094 -0.046 0.000 1.073 371 V CA -2.713 59.549 62.300 -0.064 0.000 0.921 371 V CB 2.232 33.954 31.823 -0.168 0.000 1.009 371 V HN 0.494 nan 8.190 nan 0.000 0.426 372 P HA -0.001 nan 4.420 nan 0.000 0.255 372 P C -0.256 177.031 177.300 -0.022 0.000 1.161 372 P CA 0.768 63.869 63.100 0.002 0.000 0.768 372 P CB 0.276 32.000 31.700 0.039 0.000 0.746 373 Q N 2.478 122.263 119.800 -0.025 0.000 2.322 373 Q HA 0.051 4.392 4.340 0.001 0.000 0.203 373 Q C 0.138 176.129 176.000 -0.015 0.000 0.923 373 Q CA 0.278 56.065 55.803 -0.026 0.000 0.949 373 Q CB -0.091 28.629 28.738 -0.030 0.000 1.039 373 Q HN 0.513 nan 8.270 nan 0.000 0.496 374 T N -5.829 108.721 114.554 -0.007 0.000 2.906 374 T HA 0.727 5.078 4.350 0.001 0.000 0.295 374 T C 0.895 175.597 174.700 0.002 0.000 1.075 374 T CA -0.414 61.688 62.100 0.002 0.000 1.005 374 T CB 1.395 70.271 68.868 0.013 0.000 1.136 374 T HN -0.057 nan 8.240 nan 0.000 0.498 375 A N 1.495 124.320 122.820 0.007 0.000 1.892 375 A HA -0.035 4.286 4.320 0.001 0.000 0.218 375 A C 2.229 179.816 177.584 0.004 0.000 1.188 375 A CA 2.207 54.248 52.037 0.007 0.000 0.631 375 A CB -1.366 17.643 19.000 0.015 0.000 0.822 375 A HN 0.835 nan 8.150 nan 0.000 0.447 376 V N -0.067 119.862 119.914 0.024 0.000 2.270 376 V HA -0.156 3.965 4.120 0.001 0.000 0.245 376 V C 2.885 178.951 176.094 -0.046 0.000 1.043 376 V CA 1.832 64.149 62.300 0.028 0.000 1.014 376 V CB -1.822 30.079 31.823 0.131 0.000 0.645 376 V HN 0.625 nan 8.190 nan 0.000 0.447 377 G N 0.659 109.453 108.800 -0.010 0.000 2.597 377 G HA2 -0.294 3.667 3.960 0.001 0.000 0.222 377 G HA3 -0.294 3.667 3.960 0.001 0.000 0.222 377 G C 1.492 176.364 174.900 -0.047 0.000 1.135 377 G CA 1.394 46.480 45.100 -0.024 0.000 0.759 377 G HN 0.350 nan 8.290 nan 0.000 0.595 378 L N 1.344 122.550 121.223 -0.028 0.000 1.994 378 L HA -0.090 4.251 4.340 0.001 0.000 0.208 378 L C 2.914 179.743 176.870 -0.069 0.000 1.071 378 L CA 2.363 57.202 54.840 -0.003 0.000 0.745 378 L CB -1.106 40.953 42.059 -0.000 0.000 0.892 378 L HN 0.526 nan 8.230 nan 0.000 0.431 379 K N -0.679 119.635 120.400 -0.142 0.000 2.574 379 K HA -0.070 4.251 4.320 0.001 0.000 0.193 379 K C 1.764 178.079 176.600 -0.476 0.000 1.035 379 K CA 0.783 56.928 56.287 -0.238 0.000 0.982 379 K CB -0.018 32.359 32.500 -0.206 0.000 0.795 379 K HN 0.316 nan 8.250 nan 0.000 0.491 380 I N 1.646 121.932 120.570 -0.473 0.000 2.315 380 I HA -0.126 4.045 4.170 0.001 0.000 0.233 380 I C 2.582 178.529 176.117 -0.284 0.000 1.067 380 I CA 0.847 61.813 61.300 -0.557 0.000 1.376 380 I CB -0.518 37.286 38.000 -0.325 0.000 1.143 380 I HN 0.198 nan 8.210 nan 0.000 0.421 381 A N 0.195 122.905 122.820 -0.183 0.000 1.986 381 A HA -0.309 4.011 4.320 0.001 0.000 0.220 381 A C 2.258 179.727 177.584 -0.191 0.000 1.171 381 A CA 1.988 53.908 52.037 -0.196 0.000 0.640 381 A CB -0.900 17.964 19.000 -0.226 0.000 0.811 381 A HN 0.592 nan 8.150 nan 0.000 0.451 382 Q N 0.203 119.918 119.800 -0.140 0.000 2.291 382 Q HA -0.178 4.163 4.340 0.001 0.000 0.206 382 Q C 2.055 177.998 176.000 -0.096 0.000 0.976 382 Q CA 1.987 57.734 55.803 -0.093 0.000 0.875 382 Q CB -0.126 28.574 28.738 -0.064 0.000 0.927 382 Q HN 0.840 nan 8.270 nan 0.000 0.450 383 S N -0.585 115.036 115.700 -0.131 0.000 2.412 383 S HA -0.015 4.456 4.470 0.001 0.000 0.223 383 S C 1.899 176.475 174.600 -0.040 0.000 1.048 383 S CA 0.252 58.403 58.200 -0.082 0.000 0.954 383 S CB -0.267 62.870 63.200 -0.105 0.000 0.840 383 S HN 0.313 nan 8.310 nan 0.000 0.503 384 I N 2.718 123.252 120.570 -0.060 0.000 2.113 384 I HA -0.176 3.994 4.170 0.001 0.000 0.242 384 I C 2.515 178.640 176.117 0.013 0.000 1.057 384 I CA 1.170 62.459 61.300 -0.019 0.000 1.314 384 I CB -1.836 36.120 38.000 -0.074 0.000 1.022 384 I HN 0.212 nan 8.210 nan 0.000 0.408 385 V N 0.686 120.590 119.914 -0.017 0.000 2.307 385 V HA -0.233 3.888 4.120 0.001 0.000 0.245 385 V C 2.587 178.704 176.094 0.038 0.000 1.045 385 V CA 1.895 64.213 62.300 0.030 0.000 1.024 385 V CB -0.748 31.069 31.823 -0.010 0.000 0.651 385 V HN 0.334 nan 8.190 nan 0.000 0.449 386 E N 1.018 121.220 120.200 0.003 0.000 2.233 386 E HA -0.250 4.101 4.350 0.001 0.000 0.199 386 E C 2.114 178.701 176.600 -0.022 0.000 1.004 386 E CA 2.199 58.596 56.400 -0.006 0.000 0.819 386 E CB -0.342 29.349 29.700 -0.014 0.000 0.738 386 E HN 0.823 nan 8.360 nan 0.000 0.478 387 T N -3.240 111.313 114.554 -0.002 0.000 2.953 387 T HA 0.236 4.586 4.350 0.001 0.000 0.247 387 T C 2.062 176.730 174.700 -0.053 0.000 1.029 387 T CA 0.769 62.856 62.100 -0.021 0.000 1.144 387 T CB -0.583 68.340 68.868 0.091 0.000 0.870 387 T HN 0.147 nan 8.240 nan 0.000 0.446 388 A N 2.064 124.895 122.820 0.018 0.000 2.024 388 A HA -0.098 4.223 4.320 0.001 0.000 0.220 388 A C 2.113 179.656 177.584 -0.069 0.000 1.164 388 A CA 1.539 53.558 52.037 -0.030 0.000 0.643 388 A CB -0.857 18.191 19.000 0.079 0.000 0.806 388 A HN 0.706 nan 8.150 nan 0.000 0.451 389 E N -0.541 119.713 120.200 0.091 0.000 2.510 389 E HA -0.167 4.184 4.350 0.001 0.000 0.202 389 E C 1.505 178.117 176.600 0.019 0.000 1.072 389 E CA 1.259 57.773 56.400 0.189 0.000 0.883 389 E CB -0.043 29.720 29.700 0.105 0.000 0.818 389 E HN 0.916 nan 8.360 nan 0.000 0.548 390 K N -1.644 118.659 120.400 -0.161 0.000 2.703 390 K HA 0.110 4.431 4.320 0.001 0.000 0.196 390 K C 1.355 177.748 176.600 -0.345 0.000 1.457 390 K CA -0.254 55.863 56.287 -0.284 0.000 1.115 390 K CB 0.038 32.271 32.500 -0.445 0.000 1.661 390 K HN -0.003 nan 8.250 nan 0.000 0.552 391 H N 1.351 120.274 119.070 -0.244 0.000 2.536 391 H HA 0.315 4.872 4.556 0.001 0.000 0.276 391 H C 0.852 176.091 175.328 -0.148 0.000 1.019 391 H CA 0.557 56.440 56.048 -0.274 0.000 1.159 391 H CB 0.517 29.914 29.762 -0.608 0.000 1.373 391 H HN 0.398 nan 8.280 nan 0.000 0.584 392 A N 0.132 122.846 122.820 -0.177 0.000 2.268 392 A HA 0.106 4.427 4.320 0.001 0.000 0.221 392 A C 1.456 178.958 177.584 -0.138 0.000 1.287 392 A CA 0.354 52.210 52.037 -0.302 0.000 0.902 392 A CB -0.025 18.394 19.000 -0.969 0.000 0.877 392 A HN 0.214 nan 8.150 nan 0.000 0.487 393 S N -0.835 114.854 115.700 -0.019 0.000 3.142 393 S HA 0.099 4.569 4.470 0.001 0.000 0.223 393 S C 0.217 174.864 174.600 0.077 0.000 0.939 393 S CA -0.524 57.694 58.200 0.029 0.000 0.826 393 S CB -0.232 62.987 63.200 0.032 0.000 0.823 393 S HN 0.555 nan 8.310 nan 0.000 0.612 394 E N 2.872 123.153 120.200 0.135 0.000 3.655 394 E HA -0.118 4.233 4.350 0.001 0.000 0.282 394 E C -2.652 174.006 176.600 0.097 0.000 0.811 394 E CA 0.102 56.596 56.400 0.157 0.000 0.985 394 E CB -0.321 29.558 29.700 0.297 0.000 0.926 394 E HN 0.168 nan 8.360 nan 0.000 0.560 395 P HA -0.031 nan 4.420 nan 0.000 0.261 395 P C -0.590 176.722 177.300 0.020 0.000 1.203 395 P CA 0.442 63.564 63.100 0.037 0.000 0.767 395 P CB 0.568 32.283 31.700 0.026 0.000 0.785 396 S N 5.735 121.446 115.700 0.018 0.000 2.592 396 S HA 0.301 4.772 4.470 0.001 0.000 0.271 396 S C -2.030 172.558 174.600 -0.019 0.000 1.326 396 S CA -0.944 57.255 58.200 -0.002 0.000 1.024 396 S CB -0.187 63.015 63.200 0.004 0.000 0.921 396 S HN 0.332 nan 8.310 nan 0.000 0.527 397 P HA 0.349 nan 4.420 nan 0.000 0.272 397 P C -0.993 176.264 177.300 -0.071 0.000 1.230 397 P CA -0.378 62.692 63.100 -0.050 0.000 0.788 397 P CB 0.218 31.881 31.700 -0.061 0.000 0.949 398 C N -1.486 117.756 119.300 -0.097 0.000 3.259 398 C HA 0.596 5.057 4.460 0.001 0.000 0.451 398 C C -0.733 174.113 174.990 -0.239 0.000 0.923 398 C CA -0.809 58.094 59.018 -0.192 0.000 1.168 398 C CB 0.215 27.861 27.740 -0.156 0.000 1.590 398 C HN 0.516 nan 8.230 nan 0.000 0.644 399 S N 1.867 117.351 115.700 -0.359 0.000 2.472 399 S HA 0.930 5.400 4.470 0.001 0.000 0.303 399 S C -1.156 173.172 174.600 -0.453 0.000 1.099 399 S CA -0.231 57.809 58.200 -0.267 0.000 1.077 399 S CB 0.656 63.742 63.200 -0.190 0.000 1.031 399 S HN 0.645 nan 8.310 nan 0.000 0.487 400 F N 2.564 122.542 119.950 0.048 0.000 2.577 400 F HA 0.627 5.154 4.527 0.001 0.000 0.318 400 F C -0.429 175.451 175.800 0.134 0.000 1.065 400 F CA -0.937 57.076 58.000 0.022 0.000 0.929 400 F CB 1.730 40.667 39.000 -0.104 0.000 1.237 400 F HN 0.428 nan 8.300 nan 0.000 0.468 401 L N 1.922 123.334 121.223 0.315 0.000 2.309 401 L HA 0.773 5.114 4.340 0.001 0.000 0.282 401 L C 0.113 177.069 176.870 0.143 0.000 1.036 401 L CA 0.084 55.011 54.840 0.146 0.000 0.806 401 L CB 1.425 43.525 42.059 0.069 0.000 1.220 401 L HN 0.767 nan 8.230 nan 0.000 0.429 402 A N 4.718 127.599 122.820 0.102 0.000 2.026 402 A HA 0.323 4.644 4.320 0.001 0.000 0.198 402 A C 0.278 177.976 177.584 0.190 0.000 1.390 402 A CA -0.006 52.109 52.037 0.129 0.000 0.915 402 A CB -0.099 18.968 19.000 0.113 0.000 0.974 402 A HN 0.562 nan 8.150 nan 0.000 0.477 403 F N 0.279 120.201 119.950 -0.047 0.000 2.522 403 F HA 0.606 5.134 4.527 0.001 0.000 0.324 403 F C -0.538 175.224 175.800 -0.063 0.000 1.077 403 F CA -0.850 57.122 58.000 -0.047 0.000 0.944 403 F CB 1.438 40.410 39.000 -0.047 0.000 1.175 403 F HN 0.146 nan 8.300 nan 0.000 0.468 404 E N 4.280 124.185 120.200 -0.492 0.000 2.432 404 E HA 0.550 4.901 4.350 0.001 0.000 0.272 404 E C -1.027 175.126 176.600 -0.745 0.000 0.937 404 E CA -0.458 55.618 56.400 -0.539 0.000 0.812 404 E CB 1.406 30.987 29.700 -0.199 0.000 1.377 404 E HN 0.951 nan 8.360 nan 0.000 0.399 405 G N 2.994 111.260 108.800 -0.891 0.000 2.342 405 G HA2 0.285 4.246 3.960 0.001 0.000 0.297 405 G HA3 0.285 4.246 3.960 0.001 0.000 0.297 405 G C -1.627 173.044 174.900 -0.380 0.000 1.313 405 G CA -0.666 44.099 45.100 -0.559 0.000 0.830 405 G HN 0.468 nan 8.290 nan 0.000 0.506 406 E N -1.447 118.660 120.200 -0.156 0.000 2.266 406 E HA 0.703 5.054 4.350 0.001 0.000 0.268 406 E C -0.372 176.237 176.600 0.016 0.000 0.879 406 E CA -1.060 55.299 56.400 -0.069 0.000 0.762 406 E CB 2.197 31.867 29.700 -0.051 0.000 1.199 406 E HN 0.861 nan 8.360 nan 0.000 0.422 407 M N 2.661 122.280 119.600 0.033 0.000 2.326 407 M HA 0.464 4.945 4.480 0.001 0.000 0.306 407 M C 0.039 176.358 176.300 0.032 0.000 1.054 407 M CA -0.652 54.681 55.300 0.056 0.000 0.922 407 M CB 2.004 34.658 32.600 0.091 0.000 1.632 407 M HN 0.866 nan 8.290 nan 0.000 0.436 408 M N 0.377 119.993 119.600 0.027 0.000 2.811 408 M HA -0.281 4.200 4.480 0.001 0.000 0.150 408 M C 0.928 177.235 176.300 0.011 0.000 0.694 408 M CA 2.282 57.592 55.300 0.017 0.000 0.571 408 M CB -1.872 30.738 32.600 0.016 0.000 2.098 408 M HN 1.173 nan 8.290 nan 0.000 0.260 409 G N -0.871 107.934 108.800 0.008 0.000 4.242 409 G HA2 0.139 4.099 3.960 0.001 0.000 0.159 409 G HA3 0.139 4.099 3.960 0.001 0.000 0.159 409 G C -0.333 174.564 174.900 -0.004 0.000 0.921 409 G CA -0.250 44.851 45.100 0.002 0.000 0.910 409 G HN 0.222 nan 8.290 nan 0.000 0.419 410 R N 1.412 121.909 120.500 -0.005 0.000 2.604 410 R HA 0.504 4.845 4.340 0.001 0.000 0.287 410 R C -0.706 175.576 176.300 -0.030 0.000 0.970 410 R CA -1.080 55.012 56.100 -0.014 0.000 0.946 410 R CB 0.423 30.718 30.300 -0.008 0.000 1.127 410 R HN 0.064 nan 8.270 nan 0.000 0.473 411 N N 0.536 119.208 118.700 -0.047 0.000 2.416 411 N HA 0.163 4.904 4.740 0.001 0.000 0.246 411 N C -0.455 174.998 175.510 -0.095 0.000 1.260 411 N CA 0.291 53.290 53.050 -0.085 0.000 0.897 411 N CB 0.875 39.311 38.487 -0.085 0.000 1.110 411 N HN 0.234 nan 8.380 nan 0.000 0.439 412 V N 1.388 121.203 119.914 -0.165 0.000 3.087 412 V HA 0.525 4.646 4.120 0.001 0.000 0.306 412 V C -0.405 175.538 176.094 -0.251 0.000 1.187 412 V CA -0.855 61.354 62.300 -0.152 0.000 0.999 412 V CB 2.610 34.388 31.823 -0.075 0.000 1.049 412 V HN 0.615 nan 8.190 nan 0.000 0.431 413 R N 1.137 121.522 120.500 -0.191 0.000 2.725 413 R HA 0.833 5.174 4.340 0.001 0.000 0.277 413 R C -1.843 174.305 176.300 -0.255 0.000 0.987 413 R CA -0.782 55.157 56.100 -0.267 0.000 0.901 413 R CB 2.657 32.752 30.300 -0.342 0.000 1.207 413 R HN 0.480 nan 8.270 nan 0.000 0.463 414 V N 2.690 122.470 119.914 -0.224 0.000 2.495 414 V HA 0.447 4.568 4.120 0.001 0.000 0.298 414 V C -1.081 174.881 176.094 -0.220 0.000 1.031 414 V CA -0.838 61.382 62.300 -0.132 0.000 0.871 414 V CB 1.238 33.093 31.823 0.054 0.000 0.988 414 V HN 0.556 nan 8.190 nan 0.000 0.432 415 Y N 2.576 122.927 120.300 0.083 0.000 2.446 415 Y HA 0.766 5.317 4.550 0.001 0.000 0.338 415 Y C -0.016 175.942 175.900 0.096 0.000 1.055 415 Y CA -1.118 57.030 58.100 0.080 0.000 1.101 415 Y CB 2.242 40.732 38.460 0.049 0.000 1.221 415 Y HN 0.346 nan 8.280 nan 0.000 0.460 416 V N 3.303 123.401 119.914 0.306 0.000 2.567 416 V HA 0.651 4.772 4.120 0.001 0.000 0.298 416 V C -1.198 175.011 176.094 0.191 0.000 1.047 416 V CA -0.685 61.755 62.300 0.233 0.000 0.880 416 V CB 1.676 33.639 31.823 0.233 0.000 1.009 416 V HN 0.552 nan 8.190 nan 0.000 0.429 417 V N 4.183 124.178 119.914 0.134 0.000 3.167 417 V HA 0.552 4.672 4.120 0.001 0.000 0.293 417 V C -1.326 174.798 176.094 0.049 0.000 1.379 417 V CA -0.558 61.785 62.300 0.071 0.000 1.019 417 V CB 2.647 34.469 31.823 -0.000 0.000 1.115 417 V HN 0.851 nan 8.190 nan 0.000 0.442 418 N N 3.609 122.325 118.700 0.028 0.000 3.083 418 N HA 0.238 4.978 4.740 0.001 0.000 0.260 418 N C 0.975 176.467 175.510 -0.029 0.000 1.163 418 N CA 0.235 53.287 53.050 0.003 0.000 1.060 418 N CB 0.780 39.273 38.487 0.011 0.000 1.345 418 N HN 0.820 nan 8.380 nan 0.000 0.515 419 E N 0.833 121.013 120.200 -0.034 0.000 2.172 419 E HA -0.270 4.080 4.350 0.001 0.000 0.213 419 E C 0.171 176.737 176.600 -0.057 0.000 1.051 419 E CA 1.251 57.622 56.400 -0.048 0.000 0.860 419 E CB -0.156 29.517 29.700 -0.045 0.000 0.755 419 E HN 0.680 nan 8.360 nan 0.000 0.462 420 N N 1.030 119.687 118.700 -0.073 0.000 2.207 420 N HA -0.065 4.675 4.740 0.001 0.000 0.220 420 N C 0.502 175.975 175.510 -0.062 0.000 1.303 420 N CA -0.371 52.630 53.050 -0.081 0.000 0.875 420 N CB 0.371 38.782 38.487 -0.126 0.000 1.094 420 N HN 0.059 nan 8.380 nan 0.000 0.435 421 E N 0.784 120.951 120.200 -0.056 0.000 4.520 421 E HA -0.003 4.348 4.350 0.001 0.000 0.569 421 E C -0.283 176.299 176.600 -0.030 0.000 1.225 421 E CA 0.259 56.634 56.400 -0.040 0.000 3.810 421 E CB -0.049 29.630 29.700 -0.035 0.000 1.842 421 E HN 0.420 nan 8.360 nan 0.000 0.397 422 N N -0.038 118.650 118.700 -0.020 0.000 2.412 422 N HA 0.182 4.923 4.740 0.001 0.000 0.258 422 N C -0.170 175.341 175.510 0.002 0.000 1.236 422 N CA 0.793 53.839 53.050 -0.007 0.000 0.882 422 N CB 0.602 39.087 38.487 -0.002 0.000 1.066 422 N HN 0.410 nan 8.380 nan 0.000 0.465 423 T N 0.008 114.571 114.554 0.015 0.000 2.652 423 T HA 0.076 4.426 4.350 0.001 0.000 0.220 423 T C -1.701 173.024 174.700 0.041 0.000 2.326 423 T CA -0.692 61.428 62.100 0.035 0.000 0.968 423 T CB -0.299 68.593 68.868 0.040 0.000 2.427 423 T HN 0.415 nan 8.240 nan 0.000 0.334 424 K N 0.399 120.835 120.400 0.060 0.000 2.258 424 K HA 0.642 4.962 4.320 0.001 0.000 0.236 424 K C 0.790 177.428 176.600 0.063 0.000 1.008 424 K CA -0.774 55.548 56.287 0.059 0.000 0.869 424 K CB 1.458 33.993 32.500 0.058 0.000 1.171 424 K HN 0.346 nan 8.250 nan 0.000 0.447 425 L N 0.887 122.148 121.223 0.063 0.000 1.948 425 L HA -0.046 4.295 4.340 0.001 0.000 0.212 425 L C 0.168 177.078 176.870 0.067 0.000 1.074 425 L CA 1.749 56.634 54.840 0.074 0.000 0.753 425 L CB -0.055 42.073 42.059 0.116 0.000 0.888 425 L HN 0.595 nan 8.230 nan 0.000 0.432 426 C N 1.132 120.439 119.300 0.012 0.000 2.401 426 C HA 0.643 5.103 4.460 0.001 0.000 0.365 426 C C 1.164 176.203 174.990 0.081 0.000 1.250 426 C CA -1.071 57.955 59.018 0.013 0.000 2.131 426 C CB -0.291 27.336 27.740 -0.188 0.000 2.445 426 C HN 0.707 nan 8.230 nan 0.000 0.550 427 G N 3.264 112.164 108.800 0.168 0.000 2.750 427 G HA2 0.218 4.179 3.960 0.001 0.000 0.250 427 G HA3 0.218 4.179 3.960 0.001 0.000 0.250 427 G C -1.063 173.922 174.900 0.142 0.000 1.230 427 G CA -0.382 44.817 45.100 0.164 0.000 0.883 427 G HN 0.635 nan 8.290 nan 0.000 0.573 428 P HA 0.101 nan 4.420 nan 0.000 0.245 428 P C 0.578 177.927 177.300 0.082 0.000 1.212 428 P CA 0.986 64.145 63.100 0.099 0.000 0.774 428 P CB 0.506 32.233 31.700 0.044 0.000 0.999 429 A N -0.678 122.195 122.820 0.089 0.000 2.538 429 A HA 0.141 4.461 4.320 0.001 0.000 0.269 429 A C 1.454 179.091 177.584 0.088 0.000 1.231 429 A CA -0.445 51.604 52.037 0.019 0.000 0.948 429 A CB -0.915 18.154 19.000 0.114 0.000 1.110 429 A HN 0.144 nan 8.150 nan 0.000 0.529 430 Y N -1.603 118.724 120.300 0.046 0.000 2.333 430 Y HA 0.180 4.731 4.550 0.001 0.000 0.290 430 Y C 1.362 177.291 175.900 0.049 0.000 1.144 430 Y CA 0.929 59.086 58.100 0.095 0.000 1.228 430 Y CB -0.347 38.164 38.460 0.084 0.000 0.985 430 Y HN 0.224 nan 8.280 nan 0.000 0.542 431 A N 0.446 122.792 122.820 -0.790 0.000 2.684 431 A HA 0.288 4.609 4.320 0.001 0.000 0.288 431 A C -0.382 176.937 177.584 -0.441 0.000 1.337 431 A CA -0.557 51.021 52.037 -0.764 0.000 0.946 431 A CB -1.000 17.451 19.000 -0.914 0.000 1.093 431 A HN 0.398 nan 8.150 nan 0.000 0.543 432 N N 1.376 119.743 118.700 -0.555 0.000 2.422 432 N HA 0.294 5.035 4.740 0.001 0.000 0.264 432 N C -0.323 174.945 175.510 -0.405 0.000 1.063 432 N CA 0.063 52.697 53.050 -0.693 0.000 0.959 432 N CB 0.887 38.417 38.487 -1.594 0.000 1.087 432 N HN 0.578 nan 8.380 nan 0.000 0.483 433 E N 1.486 121.602 120.200 -0.140 0.000 2.277 433 E HA 0.366 4.716 4.350 0.001 0.000 0.274 433 E C -0.895 175.686 176.600 -0.033 0.000 1.022 433 E CA -0.781 55.611 56.400 -0.015 0.000 0.853 433 E CB 0.937 30.683 29.700 0.076 0.000 1.086 433 E HN 0.165 nan 8.360 nan 0.000 0.397 434 V N 4.598 124.514 119.914 0.003 0.000 2.465 434 V HA 0.334 4.455 4.120 0.001 0.000 0.279 434 V C -0.037 175.987 176.094 -0.116 0.000 1.045 434 V CA -0.403 61.891 62.300 -0.009 0.000 0.938 434 V CB 0.912 32.761 31.823 0.042 0.000 0.986 434 V HN 0.516 nan 8.190 nan 0.000 0.467 435 V N 3.722 123.544 119.914 -0.155 0.000 2.925 435 V HA 0.796 4.917 4.120 0.001 0.000 0.311 435 V C -0.764 175.258 176.094 -0.120 0.000 1.104 435 V CA -0.638 61.531 62.300 -0.217 0.000 0.954 435 V CB 2.147 33.685 31.823 -0.475 0.000 1.022 435 V HN 0.456 nan 8.190 nan 0.000 0.427 436 V N 4.554 124.399 119.914 -0.115 0.000 2.532 436 V HA 0.626 4.747 4.120 0.001 0.000 0.295 436 V C -0.795 175.303 176.094 0.007 0.000 1.041 436 V CA -0.335 61.906 62.300 -0.099 0.000 0.926 436 V CB 1.507 33.276 31.823 -0.089 0.000 0.992 436 V HN 1.012 nan 8.190 nan 0.000 0.457 437 Y N 3.120 123.294 120.300 -0.209 0.000 2.436 437 Y HA 0.269 4.820 4.550 0.001 0.000 0.327 437 Y C 0.564 176.360 175.900 -0.173 0.000 1.138 437 Y CA -1.277 56.717 58.100 -0.175 0.000 1.042 437 Y CB 1.345 39.686 38.460 -0.198 0.000 1.302 437 Y HN 0.615 nan 8.280 nan 0.000 0.439 438 K N 3.545 123.805 120.400 -0.233 0.000 2.905 438 K HA -0.271 4.050 4.320 0.001 0.000 0.256 438 K C 0.741 177.223 176.600 -0.197 0.000 1.008 438 K CA 1.599 57.676 56.287 -0.349 0.000 0.752 438 K CB -1.645 30.441 32.500 -0.691 0.000 1.216 438 K HN 1.408 nan 8.250 nan 0.000 0.479 439 G N -0.495 108.229 108.800 -0.127 0.000 2.218 439 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 439 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 439 G C -0.279 174.529 174.900 -0.152 0.000 0.994 439 G CA 0.179 45.224 45.100 -0.092 0.000 0.637 439 G HN 0.335 nan 8.290 nan 0.000 0.505 440 D N 0.249 120.479 120.400 -0.284 0.000 2.217 440 D HA 0.591 5.232 4.640 0.001 0.000 0.248 440 D C 0.247 176.170 176.300 -0.628 0.000 1.008 440 D CA -0.274 53.446 54.000 -0.467 0.000 0.914 440 D CB 1.702 42.115 40.800 -0.645 0.000 1.182 440 D HN 0.226 nan 8.370 nan 0.000 0.451 441 I N 2.369 122.644 120.570 -0.492 0.000 2.337 441 I HA 0.151 4.322 4.170 0.001 0.000 0.285 441 I C -0.692 175.249 176.117 -0.293 0.000 1.041 441 I CA -0.629 60.474 61.300 -0.330 0.000 1.199 441 I CB 0.119 38.034 38.000 -0.141 0.000 1.370 441 I HN 0.094 nan 8.210 nan 0.000 0.470 442 Y N 3.511 123.810 120.300 -0.001 0.000 2.453 442 Y HA 0.659 5.209 4.550 0.001 0.000 0.326 442 Y C 0.912 176.774 175.900 -0.063 0.000 1.186 442 Y CA -1.518 56.560 58.100 -0.037 0.000 1.200 442 Y CB 1.567 39.989 38.460 -0.063 0.000 1.247 442 Y HN 0.477 nan 8.280 nan 0.000 0.482 443 G N 2.801 111.683 108.800 0.137 0.000 2.744 443 G HA2 0.611 4.572 3.960 0.001 0.000 0.309 443 G HA3 0.611 4.572 3.960 0.001 0.000 0.309 443 G C -1.057 173.783 174.900 -0.099 0.000 1.328 443 G CA -0.549 44.617 45.100 0.109 0.000 1.034 443 G HN 0.630 nan 8.290 nan 0.000 0.518 444 I N -0.134 120.300 120.570 -0.227 0.000 2.894 444 I HA 0.737 4.908 4.170 0.001 0.000 0.302 444 I C -2.812 173.194 176.117 -0.186 0.000 1.188 444 I CA -3.254 57.822 61.300 -0.374 0.000 1.014 444 I CB 3.179 40.585 38.000 -0.990 0.000 1.242 444 I HN 0.160 nan 8.210 nan 0.000 0.430 445 P HA 0.116 nan 4.420 nan 0.000 0.277 445 P C -1.120 176.134 177.300 -0.076 0.000 1.240 445 P CA -0.408 62.641 63.100 -0.085 0.000 0.798 445 P CB 1.218 32.893 31.700 -0.041 0.000 0.979 446 K N 2.097 122.369 120.400 -0.213 0.000 2.155 446 K HA 0.174 4.495 4.320 0.001 0.000 0.240 446 K C -0.073 176.321 176.600 -0.342 0.000 1.193 446 K CA -0.154 55.785 56.287 -0.580 0.000 1.104 446 K CB -0.621 31.613 32.500 -0.442 0.000 1.558 446 K HN 0.491 nan 8.250 nan 0.000 0.313 447 T N -0.406 114.024 114.554 -0.208 0.000 2.925 447 T HA 0.220 4.571 4.350 0.001 0.000 0.285 447 T C 0.880 175.482 174.700 -0.163 0.000 1.021 447 T CA -1.077 60.943 62.100 -0.132 0.000 1.042 447 T CB 1.454 70.281 68.868 -0.068 0.000 1.037 447 T HN 0.316 nan 8.240 nan 0.000 0.481 448 K N 1.236 121.551 120.400 -0.141 0.000 2.633 448 K HA -0.093 4.228 4.320 0.001 0.000 0.193 448 K C 1.171 177.685 176.600 -0.142 0.000 1.033 448 K CA 0.720 56.934 56.287 -0.121 0.000 0.980 448 K CB -0.276 32.167 32.500 -0.094 0.000 0.800 448 K HN 0.794 nan 8.250 nan 0.000 0.493 449 K N -0.148 120.121 120.400 -0.218 0.000 2.313 449 K HA 0.037 4.358 4.320 0.001 0.000 0.197 449 K C 0.901 177.263 176.600 -0.398 0.000 1.061 449 K CA -0.008 56.062 56.287 -0.362 0.000 0.980 449 K CB 0.071 32.240 32.500 -0.551 0.000 0.888 449 K HN 0.191 nan 8.250 nan 0.000 0.502 450 W N 1.431 122.621 121.300 -0.184 0.000 3.077 450 W HA 0.216 4.877 4.660 0.001 0.000 0.266 450 W C 1.804 178.360 176.519 0.062 0.000 1.300 450 W CA -0.482 56.772 57.345 -0.150 0.000 1.586 450 W CB 0.315 29.697 29.460 -0.130 0.000 1.103 450 W HN 0.099 nan 8.180 nan 0.000 0.652 451 R N 1.529 122.122 120.500 0.155 0.000 2.290 451 R HA -0.403 3.937 4.340 0.001 0.000 0.232 451 R C 2.331 178.804 176.300 0.288 0.000 1.110 451 R CA 3.713 59.903 56.100 0.150 0.000 0.871 451 R CB -1.043 29.294 30.300 0.062 0.000 0.964 451 R HN 0.194 nan 8.270 nan 0.000 0.410 452 S N -0.877 114.989 115.700 0.277 0.000 2.400 452 S HA -0.229 4.242 4.470 0.001 0.000 0.234 452 S C 1.971 176.651 174.600 0.132 0.000 1.049 452 S CA 1.768 60.113 58.200 0.241 0.000 1.039 452 S CB -0.764 62.623 63.200 0.310 0.000 0.856 452 S HN 0.379 nan 8.310 nan 0.000 0.465 453 F N 0.903 120.888 119.950 0.057 0.000 2.234 453 F HA 0.224 4.752 4.527 0.001 0.000 0.299 453 F C 1.809 177.483 175.800 -0.210 0.000 1.087 453 F CA 0.007 57.887 58.000 -0.200 0.000 1.340 453 F CB -0.782 38.359 39.000 0.235 0.000 1.031 453 F HN 0.174 nan 8.300 nan 0.000 0.500 454 F N -0.138 119.854 119.950 0.070 0.000 2.743 454 F HA 0.053 4.581 4.527 0.001 0.000 0.297 454 F C 1.451 177.230 175.800 -0.034 0.000 1.131 454 F CA 0.577 58.585 58.000 0.013 0.000 1.426 454 F CB -0.419 38.610 39.000 0.050 0.000 1.116 454 F HN 0.020 nan 8.300 nan 0.000 0.583 455 E N -0.515 119.746 120.200 0.101 0.000 2.624 455 E HA 0.120 4.470 4.350 0.001 0.000 0.210 455 E C 0.538 177.116 176.600 -0.037 0.000 0.997 455 E CA 0.156 56.581 56.400 0.043 0.000 0.999 455 E CB 0.252 29.995 29.700 0.072 0.000 1.040 455 E HN 0.458 nan 8.360 nan 0.000 0.469 456 E N -0.191 119.908 120.200 -0.169 0.000 2.673 456 E HA 0.114 4.464 4.350 0.001 0.000 0.215 456 E C 0.558 177.031 176.600 -0.212 0.000 0.935 456 E CA -0.171 56.128 56.400 -0.168 0.000 1.341 456 E CB 1.401 30.999 29.700 -0.170 0.000 1.277 456 E HN 0.120 nan 8.360 nan 0.000 0.667 457 G N 1.022 109.624 108.800 -0.331 0.000 2.887 457 G HA2 0.506 4.467 3.960 0.001 0.000 0.277 457 G HA3 0.506 4.467 3.960 0.001 0.000 0.277 457 G C -0.549 174.281 174.900 -0.116 0.000 1.346 457 G CA -0.501 44.482 45.100 -0.196 0.000 1.058 457 G HN 0.052 nan 8.290 nan 0.000 0.535 458 V N -1.217 118.640 119.914 -0.095 0.000 2.284 458 V HA 0.526 4.647 4.120 0.001 0.000 0.274 458 V C -2.434 173.577 176.094 -0.139 0.000 1.023 458 V CA -2.447 59.798 62.300 -0.091 0.000 0.808 458 V CB 1.003 32.784 31.823 -0.070 0.000 1.035 458 V HN 0.517 nan 8.190 nan 0.000 0.445 459 P HA 0.117 nan 4.420 nan 0.000 0.265 459 P C 1.031 178.255 177.300 -0.127 0.000 1.222 459 P CA 0.312 63.287 63.100 -0.208 0.000 0.767 459 P CB 1.291 32.879 31.700 -0.187 0.000 0.801 460 T N 2.990 117.470 114.554 -0.123 0.000 2.737 460 T HA -0.132 4.218 4.350 0.001 0.000 0.269 460 T C 1.566 176.234 174.700 -0.052 0.000 1.040 460 T CA 2.184 64.230 62.100 -0.090 0.000 1.142 460 T CB -0.761 68.070 68.868 -0.062 0.000 0.861 460 T HN 0.754 nan 8.240 nan 0.000 0.456 461 G N 0.180 108.966 108.800 -0.025 0.000 2.213 461 G HA2 -0.191 3.770 3.960 0.001 0.000 0.236 461 G HA3 -0.191 3.770 3.960 0.001 0.000 0.236 461 G C 0.108 175.036 174.900 0.047 0.000 0.991 461 G CA -0.235 44.875 45.100 0.017 0.000 0.629 461 G HN 0.481 nan 8.290 nan 0.000 0.517 462 I N 2.352 122.953 120.570 0.051 0.000 2.312 462 I HA 0.419 4.590 4.170 0.001 0.000 0.291 462 I C 1.020 177.208 176.117 0.119 0.000 1.031 462 I CA -0.403 60.960 61.300 0.105 0.000 1.293 462 I CB 0.702 38.769 38.000 0.112 0.000 1.403 462 I HN 0.165 nan 8.210 nan 0.000 0.484 463 R N 4.225 124.801 120.500 0.128 0.000 2.607 463 R HA 0.290 4.631 4.340 0.001 0.000 0.261 463 R C 0.580 177.038 176.300 0.263 0.000 1.051 463 R CA -0.712 55.466 56.100 0.129 0.000 1.110 463 R CB 0.807 31.126 30.300 0.031 0.000 1.158 463 R HN 0.302 nan 8.270 nan 0.000 0.543 464 Y N 1.342 121.655 120.300 0.022 0.000 2.081 464 Y HA -0.262 4.289 4.550 0.001 0.000 0.280 464 Y C 2.279 178.249 175.900 0.116 0.000 1.163 464 Y CA 1.555 59.686 58.100 0.051 0.000 1.135 464 Y CB -0.761 37.707 38.460 0.015 0.000 0.970 464 Y HN 0.528 nan 8.280 nan 0.000 0.498 465 I N -2.280 118.468 120.570 0.297 0.000 2.226 465 I HA -0.238 3.933 4.170 0.001 0.000 0.245 465 I C 1.832 178.045 176.117 0.161 0.000 1.100 465 I CA 1.967 63.441 61.300 0.290 0.000 1.374 465 I CB -0.648 37.531 38.000 0.298 0.000 1.057 465 I HN 0.051 nan 8.210 nan 0.000 0.413 466 D N 2.002 122.455 120.400 0.089 0.000 2.084 466 D HA -0.136 4.505 4.640 0.001 0.000 0.194 466 D C 2.361 178.647 176.300 -0.022 0.000 0.990 466 D CA 2.047 56.017 54.000 -0.051 0.000 0.826 466 D CB -0.479 40.377 40.800 0.094 0.000 0.971 466 D HN 0.549 nan 8.370 nan 0.000 0.453 467 G N 0.304 109.223 108.800 0.199 0.000 2.442 467 G HA2 -0.273 3.688 3.960 0.001 0.000 0.219 467 G HA3 -0.273 3.688 3.960 0.001 0.000 0.219 467 G C 1.512 176.592 174.900 0.300 0.000 1.141 467 G CA 0.377 45.648 45.100 0.285 0.000 0.763 467 G HN 0.283 nan 8.290 nan 0.000 0.554 468 F N 1.829 121.815 119.950 0.061 0.000 2.022 468 F HA 0.099 4.627 4.527 0.001 0.000 0.293 468 F C 2.984 178.812 175.800 0.047 0.000 1.142 468 F CA 1.379 59.410 58.000 0.051 0.000 1.177 468 F CB -0.249 38.767 39.000 0.026 0.000 0.982 468 F HN 0.288 nan 8.300 nan 0.000 0.473 469 A N 0.870 123.543 122.820 -0.245 0.000 1.883 469 A HA -0.382 3.939 4.320 0.001 0.000 0.226 469 A C 1.867 179.263 177.584 -0.314 0.000 1.512 469 A CA 2.693 54.473 52.037 -0.428 0.000 0.738 469 A CB -1.991 16.734 19.000 -0.459 0.000 0.848 469 A HN 0.647 nan 8.150 nan 0.000 0.477 470 Y N -1.877 118.407 120.300 -0.028 0.000 2.133 470 Y HA -0.329 4.222 4.550 0.001 0.000 0.279 470 Y C 2.315 178.209 175.900 -0.010 0.000 1.209 470 Y CA 1.682 59.773 58.100 -0.015 0.000 1.152 470 Y CB -1.440 37.031 38.460 0.019 0.000 0.961 470 Y HN 0.528 nan 8.280 nan 0.000 0.512 471 Y N -0.011 120.307 120.300 0.029 0.000 2.097 471 Y HA -0.279 4.271 4.550 0.001 0.000 0.282 471 Y C 2.507 178.353 175.900 -0.090 0.000 1.152 471 Y CA 1.434 59.532 58.100 -0.004 0.000 1.136 471 Y CB -0.906 37.581 38.460 0.044 0.000 0.975 471 Y HN 0.073 nan 8.280 nan 0.000 0.498 472 A N 0.369 123.206 122.820 0.029 0.000 1.845 472 A HA -0.113 4.208 4.320 0.001 0.000 0.215 472 A C 2.422 179.990 177.584 -0.026 0.000 1.195 472 A CA 2.139 54.144 52.037 -0.053 0.000 0.616 472 A CB -1.683 17.130 19.000 -0.312 0.000 0.832 472 A HN 0.608 nan 8.150 nan 0.000 0.443 473 A N -1.027 121.757 122.820 -0.060 0.000 2.148 473 A HA -0.211 4.110 4.320 0.001 0.000 0.222 473 A C 2.121 179.705 177.584 0.000 0.000 1.161 473 A CA 2.403 54.424 52.037 -0.027 0.000 0.662 473 A CB -0.396 18.585 19.000 -0.031 0.000 0.799 473 A HN 0.469 nan 8.150 nan 0.000 0.466 474 R N -1.361 119.135 120.500 -0.006 0.000 2.279 474 R HA 0.209 4.550 4.340 0.001 0.000 0.195 474 R C 1.644 177.921 176.300 -0.038 0.000 0.905 474 R CA 0.966 57.048 56.100 -0.030 0.000 1.044 474 R CB -0.220 30.040 30.300 -0.066 0.000 1.056 474 R HN 0.222 nan 8.270 nan 0.000 0.535 475 K N -0.005 120.387 120.400 -0.014 0.000 2.155 475 K HA 0.002 4.323 4.320 0.001 0.000 0.203 475 K C 1.656 178.279 176.600 0.038 0.000 1.052 475 K CA 1.390 57.691 56.287 0.024 0.000 0.948 475 K CB -0.123 32.461 32.500 0.140 0.000 0.728 475 K HN 0.155 nan 8.250 nan 0.000 0.448 476 V N -1.512 118.425 119.914 0.038 0.000 2.871 476 V HA -0.019 4.101 4.120 0.001 0.000 0.256 476 V C 1.847 177.961 176.094 0.034 0.000 1.082 476 V CA 1.606 63.932 62.300 0.044 0.000 1.105 476 V CB -0.227 31.627 31.823 0.052 0.000 0.713 476 V HN 0.301 nan 8.190 nan 0.000 0.473 477 E N 0.655 120.869 120.200 0.023 0.000 2.274 477 E HA -0.188 4.163 4.350 0.001 0.000 0.194 477 E C 2.085 178.690 176.600 0.008 0.000 0.996 477 E CA 1.269 57.679 56.400 0.016 0.000 0.840 477 E CB -0.025 29.678 29.700 0.005 0.000 0.772 477 E HN 0.819 nan 8.360 nan 0.000 0.491 478 E N -0.362 119.840 120.200 0.005 0.000 2.230 478 E HA -0.043 4.308 4.350 0.001 0.000 0.192 478 E C 1.795 178.403 176.600 0.012 0.000 0.987 478 E CA 0.605 57.006 56.400 0.002 0.000 0.841 478 E CB 0.183 29.880 29.700 -0.004 0.000 0.783 478 E HN 0.272 nan 8.360 nan 0.000 0.481 479 A N 1.337 124.170 122.820 0.021 0.000 1.935 479 A HA 0.139 4.459 4.320 0.001 0.000 0.214 479 A C 2.348 179.945 177.584 0.021 0.000 1.178 479 A CA 1.003 53.055 52.037 0.025 0.000 0.640 479 A CB -0.313 18.707 19.000 0.034 0.000 0.825 479 A HN 0.243 nan 8.150 nan 0.000 0.447 480 A N 0.440 123.273 122.820 0.022 0.000 2.024 480 A HA -0.099 4.221 4.320 0.001 0.000 0.220 480 A C 2.152 179.745 177.584 0.014 0.000 1.164 480 A CA 1.863 53.912 52.037 0.020 0.000 0.643 480 A CB -0.652 18.363 19.000 0.026 0.000 0.806 480 A HN 0.829 nan 8.150 nan 0.000 0.451 481 M N -3.153 116.454 119.600 0.011 0.000 2.337 481 M HA 0.359 4.840 4.480 0.001 0.000 0.256 481 M C 1.473 177.777 176.300 0.007 0.000 1.075 481 M CA 0.601 55.905 55.300 0.007 0.000 1.024 481 M CB 0.305 32.907 32.600 0.004 0.000 1.429 481 M HN 0.146 nan 8.290 nan 0.000 0.497 482 R N 0.998 121.504 120.500 0.009 0.000 2.359 482 R HA 0.064 4.405 4.340 0.001 0.000 0.231 482 R C 0.005 176.312 176.300 0.011 0.000 0.913 482 R CA 0.473 56.578 56.100 0.010 0.000 1.075 482 R CB 0.241 30.548 30.300 0.012 0.000 1.087 482 R HN 0.364 nan 8.270 nan 0.000 0.515 483 E N -1.111 119.095 120.200 0.011 0.000 4.278 483 E HA -0.293 4.057 4.350 0.001 0.000 0.339 483 E C -0.381 176.227 176.600 0.013 0.000 0.624 483 E CA 1.238 57.645 56.400 0.011 0.000 1.405 483 E CB -1.117 28.588 29.700 0.009 0.000 1.797 483 E HN 0.576 nan 8.360 nan 0.000 0.400 484 Q N 0.021 119.830 119.800 0.016 0.000 2.560 484 Q HA -0.079 4.262 4.340 0.001 0.000 0.303 484 Q C 1.344 177.356 176.000 0.021 0.000 1.230 484 Q CA 1.764 57.579 55.803 0.020 0.000 1.023 484 Q CB 0.180 28.932 28.738 0.025 0.000 1.317 484 Q HN 0.308 nan 8.270 nan 0.000 0.482 485 E N -0.345 119.870 120.200 0.025 0.000 2.453 485 E HA 0.204 4.555 4.350 0.001 0.000 0.211 485 E C -0.337 176.285 176.600 0.037 0.000 0.897 485 E CA 0.162 56.578 56.400 0.027 0.000 1.063 485 E CB 0.663 30.377 29.700 0.023 0.000 1.080 485 E HN 0.471 nan 8.360 nan 0.000 0.512 486 E N 0.117 120.341 120.200 0.041 0.000 2.380 486 E HA 0.477 4.828 4.350 0.001 0.000 0.281 486 E C -1.698 174.936 176.600 0.056 0.000 0.999 486 E CA -0.955 55.478 56.400 0.055 0.000 0.800 486 E CB 2.221 31.956 29.700 0.057 0.000 1.228 486 E HN 0.034 nan 8.360 nan 0.000 0.436 487 V N 0.197 120.152 119.914 0.069 0.000 2.932 487 V HA 0.625 4.746 4.120 0.001 0.000 0.307 487 V C -1.092 175.054 176.094 0.086 0.000 1.147 487 V CA -0.943 61.401 62.300 0.073 0.000 0.951 487 V CB 1.789 33.656 31.823 0.073 0.000 1.031 487 V HN 0.697 nan 8.190 nan 0.000 0.426 488 K N 3.088 123.538 120.400 0.084 0.000 2.540 488 K HA 0.628 4.948 4.320 0.001 0.000 0.218 488 K C -1.250 175.414 176.600 0.106 0.000 1.017 488 K CA -0.487 55.856 56.287 0.092 0.000 1.029 488 K CB 1.544 34.086 32.500 0.070 0.000 1.348 488 K HN 0.739 nan 8.250 nan 0.000 0.508 489 V N 5.771 125.764 119.914 0.132 0.000 2.427 489 V HA 0.138 4.259 4.120 0.001 0.000 0.268 489 V C 0.076 176.311 176.094 0.235 0.000 1.046 489 V CA -0.095 62.305 62.300 0.166 0.000 0.970 489 V CB 0.461 32.377 31.823 0.155 0.000 1.001 489 V HN 0.686 nan 8.190 nan 0.000 0.476 490 K N 4.095 124.597 120.400 0.170 0.000 2.352 490 K HA 0.988 5.309 4.320 0.001 0.000 0.240 490 K C -0.882 175.714 176.600 -0.006 0.000 1.017 490 K CA -1.089 55.269 56.287 0.118 0.000 0.851 490 K CB 2.689 35.219 32.500 0.050 0.000 1.261 490 K HN 0.625 nan 8.250 nan 0.000 0.451 491 A N 1.158 123.900 122.820 -0.131 0.000 2.518 491 A HA 0.366 4.686 4.320 0.001 0.000 0.295 491 A C -0.643 176.887 177.584 -0.091 0.000 1.052 491 A CA -0.842 51.042 52.037 -0.255 0.000 0.824 491 A CB 1.242 19.802 19.000 -0.732 0.000 1.325 491 A HN 0.811 nan 8.150 nan 0.000 0.394 492 R N 1.522 122.046 120.500 0.040 0.000 1.758 492 R HA 0.403 4.744 4.340 0.001 0.000 0.141 492 R C 1.060 177.470 176.300 0.184 0.000 2.075 492 R CA 0.182 56.501 56.100 0.365 0.000 1.687 492 R CB -0.240 30.256 30.300 0.328 0.000 1.239 492 R HN 0.783 nan 8.270 nan 0.000 0.477 493 I N -0.021 120.615 120.570 0.110 0.000 3.156 493 I HA 0.252 4.423 4.170 0.001 0.000 0.306 493 I C -0.124 175.934 176.117 -0.098 0.000 1.048 493 I CA -0.549 60.714 61.300 -0.061 0.000 1.207 493 I CB 0.670 38.667 38.000 -0.006 0.000 1.456 493 I HN -0.073 nan 8.210 nan 0.000 0.616 494 V N 3.455 123.299 119.914 -0.117 0.000 2.385 494 V HA 0.296 4.416 4.120 0.001 0.000 0.277 494 V C 0.808 176.854 176.094 -0.080 0.000 1.012 494 V CA -0.410 61.798 62.300 -0.152 0.000 0.832 494 V CB 0.699 32.339 31.823 -0.305 0.000 1.028 494 V HN 0.734 nan 8.190 nan 0.000 0.436 495 E N 2.981 123.152 120.200 -0.049 0.000 2.358 495 E HA 0.006 4.356 4.350 0.001 0.000 0.195 495 E C 0.766 177.362 176.600 -0.007 0.000 1.010 495 E CA 0.720 57.111 56.400 -0.015 0.000 0.856 495 E CB 0.404 30.103 29.700 -0.002 0.000 0.795 495 E HN 0.919 nan 8.360 nan 0.000 0.504 496 N N -1.579 117.106 118.700 -0.025 0.000 3.669 496 N HA -0.023 4.718 4.740 0.001 0.000 0.357 496 N C 0.686 176.180 175.510 -0.027 0.000 1.397 496 N CA -0.386 52.659 53.050 -0.008 0.000 0.725 496 N CB 0.191 38.687 38.487 0.014 0.000 2.980 496 N HN -0.142 nan 8.380 nan 0.000 0.498 497 L N 1.161 122.389 121.223 0.008 0.000 2.145 497 L HA 0.166 4.507 4.340 0.001 0.000 0.201 497 L C 2.762 179.658 176.870 0.043 0.000 1.075 497 L CA 1.835 56.688 54.840 0.021 0.000 0.773 497 L CB -1.035 41.057 42.059 0.055 0.000 0.936 497 L HN 0.754 nan 8.230 nan 0.000 0.451 498 S N 0.081 115.818 115.700 0.061 0.000 2.380 498 S HA -0.289 4.182 4.470 0.001 0.000 0.229 498 S C 1.586 176.227 174.600 0.067 0.000 1.043 498 S CA 1.882 60.132 58.200 0.084 0.000 1.038 498 S CB -0.972 62.271 63.200 0.072 0.000 0.872 498 S HN 0.439 nan 8.310 nan 0.000 0.456 499 D N 0.896 121.299 120.400 0.005 0.000 2.263 499 D HA 0.056 4.697 4.640 0.001 0.000 0.208 499 D C 1.345 177.592 176.300 -0.088 0.000 0.971 499 D CA 0.737 54.706 54.000 -0.053 0.000 0.867 499 D CB -0.224 40.523 40.800 -0.088 0.000 0.929 499 D HN 0.489 nan 8.370 nan 0.000 0.492 500 I N 0.006 120.534 120.570 -0.069 0.000 3.976 500 I HA 0.146 4.317 4.170 0.001 0.000 0.337 500 I C -0.496 175.685 176.117 0.108 0.000 1.359 500 I CA -0.020 61.236 61.300 -0.074 0.000 1.098 500 I CB -0.552 37.321 38.000 -0.212 0.000 1.027 500 I HN -0.098 nan 8.210 nan 0.000 0.394 501 N N 1.176 119.978 118.700 0.170 0.000 2.568 501 N HA -0.201 4.540 4.740 0.001 0.000 0.277 501 N C -1.616 174.031 175.510 0.228 0.000 1.200 501 N CA 0.612 53.826 53.050 0.273 0.000 0.702 501 N CB -0.944 37.800 38.487 0.429 0.000 0.889 501 N HN 0.248 nan 8.380 nan 0.000 0.546 502 L N 2.132 123.480 121.223 0.208 0.000 2.672 502 L HA 0.616 4.957 4.340 0.001 0.000 0.256 502 L C -1.141 175.899 176.870 0.285 0.000 0.946 502 L CA -0.737 54.239 54.840 0.227 0.000 0.889 502 L CB 1.282 43.424 42.059 0.137 0.000 1.441 502 L HN 0.355 nan 8.230 nan 0.000 0.418 503 Y N 2.610 122.929 120.300 0.032 0.000 2.677 503 Y HA 0.931 5.482 4.550 0.001 0.000 0.334 503 Y C -1.242 174.675 175.900 0.027 0.000 1.154 503 Y CA -1.711 56.408 58.100 0.031 0.000 1.070 503 Y CB 1.401 39.880 38.460 0.032 0.000 1.294 503 Y HN 0.428 nan 8.280 nan 0.000 0.475 504 I N 0.004 120.545 120.570 -0.048 0.000 2.607 504 I HA 0.363 4.534 4.170 0.001 0.000 0.290 504 I C -0.672 175.484 176.117 0.066 0.000 1.129 504 I CA -0.750 60.471 61.300 -0.132 0.000 1.042 504 I CB 1.162 39.133 38.000 -0.049 0.000 1.242 504 I HN 1.112 nan 8.210 nan 0.000 0.421 505 H N 5.813 124.835 119.070 -0.081 0.000 3.152 505 H HA -0.056 4.501 4.556 0.001 0.000 0.319 505 H C 1.197 176.550 175.328 0.042 0.000 0.994 505 H CA 1.088 57.152 56.048 0.026 0.000 1.370 505 H CB 1.249 31.002 29.762 -0.015 0.000 1.322 505 H HN 0.803 nan 8.280 nan 0.000 0.590 506 E N 3.017 123.384 120.200 0.278 0.000 2.284 506 E HA -0.305 4.046 4.350 0.001 0.000 0.200 506 E C 0.800 177.304 176.600 -0.161 0.000 1.008 506 E CA 1.882 58.315 56.400 0.054 0.000 0.829 506 E CB -0.064 29.705 29.700 0.115 0.000 0.744 506 E HN 0.666 nan 8.360 nan 0.000 0.491 507 N N 0.761 119.124 118.700 -0.562 0.000 2.290 507 N HA -0.083 4.657 4.740 0.001 0.000 0.179 507 N C 2.003 177.406 175.510 -0.179 0.000 1.016 507 N CA 1.471 54.269 53.050 -0.420 0.000 0.871 507 N CB 0.018 38.128 38.487 -0.630 0.000 0.987 507 N HN 0.305 nan 8.380 nan 0.000 0.431 508 V N -0.749 119.074 119.914 -0.152 0.000 2.759 508 V HA -0.044 4.077 4.120 0.001 0.000 0.256 508 V C 2.210 178.364 176.094 0.100 0.000 1.080 508 V CA 1.266 63.560 62.300 -0.010 0.000 1.101 508 V CB -0.526 31.279 31.823 -0.031 0.000 0.698 508 V HN 0.105 nan 8.190 nan 0.000 0.477 509 R N 0.590 121.111 120.500 0.035 0.000 2.061 509 R HA -0.018 4.323 4.340 0.001 0.000 0.230 509 R C 2.662 179.002 176.300 0.066 0.000 1.140 509 R CA 1.637 57.768 56.100 0.052 0.000 0.940 509 R CB -0.332 29.992 30.300 0.039 0.000 0.839 509 R HN 0.406 nan 8.270 nan 0.000 0.429 510 R N -0.889 119.643 120.500 0.053 0.000 2.249 510 R HA -0.199 4.142 4.340 0.001 0.000 0.230 510 R C 1.896 178.276 176.300 0.134 0.000 1.121 510 R CA 1.449 57.594 56.100 0.075 0.000 0.997 510 R CB -0.312 30.012 30.300 0.041 0.000 0.867 510 R HN 0.355 nan 8.270 nan 0.000 0.465 511 Y N 1.297 121.608 120.300 0.018 0.000 2.109 511 Y HA -0.182 4.368 4.550 0.001 0.000 0.281 511 Y C 2.093 178.053 175.900 0.099 0.000 1.113 511 Y CA 1.181 59.312 58.100 0.051 0.000 1.098 511 Y CB -0.383 38.066 38.460 -0.018 0.000 0.996 511 Y HN -0.201 nan 8.280 nan 0.000 0.485 512 I N 0.358 120.898 120.570 -0.050 0.000 2.147 512 I HA -0.377 3.794 4.170 0.001 0.000 0.245 512 I C 2.344 178.364 176.117 -0.162 0.000 1.059 512 I CA 1.695 62.904 61.300 -0.151 0.000 1.320 512 I CB -1.526 36.467 38.000 -0.011 0.000 1.021 512 I HN 0.361 nan 8.210 nan 0.000 0.415 513 L N -0.509 120.680 121.223 -0.057 0.000 1.994 513 L HA -0.226 4.115 4.340 0.001 0.000 0.208 513 L C 2.446 179.286 176.870 -0.050 0.000 1.071 513 L CA 1.814 56.631 54.840 -0.038 0.000 0.745 513 L CB -1.190 40.879 42.059 0.015 0.000 0.892 513 L HN 0.427 nan 8.230 nan 0.000 0.431 514 W N 1.205 122.404 121.300 -0.168 0.000 2.302 514 W HA -0.255 4.405 4.660 0.001 0.000 0.320 514 W C 1.428 177.819 176.519 -0.214 0.000 1.241 514 W CA 1.460 58.712 57.345 -0.156 0.000 1.264 514 W CB -0.170 29.217 29.460 -0.121 0.000 1.154 514 W HN 0.032 nan 8.180 nan 0.000 0.483 515 K N 1.689 121.977 120.400 -0.187 0.000 2.836 515 K HA -0.045 4.275 4.320 0.001 0.000 0.236 515 K C 0.481 176.931 176.600 -0.250 0.000 1.015 515 K CA 0.301 56.422 56.287 -0.275 0.000 1.194 515 K CB -0.873 31.340 32.500 -0.479 0.000 1.002 515 K HN 0.253 nan 8.250 nan 0.000 0.479 516 K N 0.300 120.558 120.400 -0.237 0.000 3.273 516 K HA -0.224 4.096 4.320 0.001 0.000 0.262 516 K C 0.730 177.252 176.600 -0.131 0.000 0.850 516 K CA 0.583 56.767 56.287 -0.173 0.000 0.626 516 K CB -1.273 31.120 32.500 -0.177 0.000 1.488 516 K HN 0.419 nan 8.250 nan 0.000 0.469 517 G N 0.918 109.634 108.800 -0.140 0.000 2.537 517 G HA2 0.495 4.455 3.960 0.001 0.000 0.297 517 G HA3 0.495 4.455 3.960 0.001 0.000 0.297 517 G C -0.442 174.413 174.900 -0.076 0.000 1.310 517 G CA -0.633 44.400 45.100 -0.111 0.000 1.027 517 G HN 0.244 nan 8.290 nan 0.000 0.505 518 K N -1.548 118.813 120.400 -0.065 0.000 2.536 518 K HA 0.596 4.916 4.320 0.001 0.000 0.269 518 K C -1.560 175.011 176.600 -0.049 0.000 0.965 518 K CA -0.906 55.365 56.287 -0.027 0.000 0.860 518 K CB 2.148 34.666 32.500 0.029 0.000 1.423 518 K HN 0.341 nan 8.250 nan 0.000 0.438 519 I N 1.311 121.876 120.570 -0.009 0.000 2.355 519 I HA 0.182 4.353 4.170 0.001 0.000 0.288 519 I C -0.711 175.445 176.117 0.065 0.000 0.999 519 I CA -0.502 60.794 61.300 -0.007 0.000 1.163 519 I CB 1.538 39.536 38.000 -0.003 0.000 1.316 519 I HN 0.677 nan 8.210 nan 0.000 0.454 520 D N 7.412 127.894 120.400 0.135 0.000 2.551 520 D HA 0.189 4.830 4.640 0.001 0.000 0.294 520 D C -0.865 175.533 176.300 0.162 0.000 1.201 520 D CA -0.206 53.905 54.000 0.186 0.000 0.941 520 D CB 1.126 42.110 40.800 0.307 0.000 0.995 520 D HN 0.178 nan 8.370 nan 0.000 0.502 521 V N 4.232 124.212 119.914 0.109 0.000 2.217 521 V HA 0.388 4.508 4.120 0.001 0.000 0.264 521 V C 0.514 176.658 176.094 0.084 0.000 1.107 521 V CA -0.421 61.948 62.300 0.115 0.000 0.913 521 V CB 0.201 32.064 31.823 0.067 0.000 1.153 521 V HN 0.202 nan 8.190 nan 0.000 0.469 522 R N 1.949 122.524 120.500 0.125 0.000 2.854 522 R HA 0.916 5.257 4.340 0.001 0.000 0.271 522 R C -0.033 176.361 176.300 0.158 0.000 0.996 522 R CA -0.763 55.389 56.100 0.086 0.000 0.961 522 R CB 2.462 32.801 30.300 0.065 0.000 1.182 522 R HN 0.738 nan 8.270 nan 0.000 0.479 523 G N 1.628 110.480 108.800 0.086 0.000 2.351 523 G HA2 0.095 4.056 3.960 0.001 0.000 0.296 523 G HA3 0.095 4.056 3.960 0.001 0.000 0.296 523 G C -3.117 171.759 174.900 -0.039 0.000 1.685 523 G CA -0.904 44.272 45.100 0.128 0.000 0.936 523 G HN 0.354 nan 8.290 nan 0.000 0.714 524 P HA 0.227 nan 4.420 nan 0.000 0.262 524 P C 1.097 178.140 177.300 -0.428 0.000 1.620 524 P CA -0.403 62.344 63.100 -0.588 0.000 1.089 524 P CB 1.212 32.462 31.700 -0.751 0.000 1.601 525 L N 4.162 125.238 121.223 -0.245 0.000 2.044 525 L HA 0.053 4.394 4.340 0.001 0.000 0.205 525 L C 0.782 177.675 176.870 0.038 0.000 1.075 525 L CA 0.767 55.579 54.840 -0.047 0.000 0.747 525 L CB -0.473 41.510 42.059 -0.128 0.000 0.903 525 L HN 0.251 nan 8.230 nan 0.000 0.435 526 F N 0.251 120.165 119.950 -0.060 0.000 2.526 526 F HA -0.215 4.312 4.527 0.001 0.000 0.225 526 F C -0.723 175.046 175.800 -0.051 0.000 1.031 526 F CA -0.561 57.408 58.000 -0.052 0.000 0.915 526 F CB -1.044 37.952 39.000 -0.008 0.000 0.952 526 F HN -0.051 nan 8.300 nan 0.000 0.834 527 V N 1.178 121.125 119.914 0.054 0.000 2.697 527 V HA 0.399 4.519 4.120 0.001 0.000 0.300 527 V C -0.069 176.045 176.094 0.034 0.000 1.115 527 V CA -0.523 61.801 62.300 0.041 0.000 0.912 527 V CB 2.547 34.402 31.823 0.053 0.000 1.024 527 V HN 0.321 nan 8.190 nan 0.000 0.431 528 T N 3.887 118.533 114.554 0.153 0.000 2.908 528 T HA 0.775 5.126 4.350 0.001 0.000 0.290 528 T C -0.845 174.013 174.700 0.263 0.000 1.034 528 T CA -0.577 61.650 62.100 0.211 0.000 1.010 528 T CB 2.091 71.025 68.868 0.110 0.000 1.068 528 T HN 0.375 nan 8.240 nan 0.000 0.481 529 V N 3.005 123.080 119.914 0.268 0.000 2.569 529 V HA 0.459 4.579 4.120 0.001 0.000 0.301 529 V C -0.499 175.692 176.094 0.160 0.000 1.044 529 V CA -0.972 61.446 62.300 0.197 0.000 0.874 529 V CB 1.821 33.717 31.823 0.122 0.000 1.002 529 V HN 0.731 nan 8.190 nan 0.000 0.424 530 K N 3.030 123.540 120.400 0.183 0.000 2.164 530 K HA 0.916 5.237 4.320 0.001 0.000 0.258 530 K C -0.504 176.224 176.600 0.213 0.000 0.951 530 K CA -0.516 55.880 56.287 0.182 0.000 0.844 530 K CB 2.482 35.088 32.500 0.177 0.000 1.099 530 K HN 0.822 nan 8.250 nan 0.000 0.435 531 A N 2.494 125.408 122.820 0.158 0.000 2.486 531 A HA 0.445 4.766 4.320 0.001 0.000 0.300 531 A C -1.409 176.237 177.584 0.104 0.000 1.048 531 A CA -0.785 51.318 52.037 0.110 0.000 0.696 531 A CB 1.194 20.236 19.000 0.071 0.000 1.278 531 A HN 0.752 nan 8.150 nan 0.000 0.405 532 E N 2.031 122.279 120.200 0.080 0.000 2.191 532 E HA 0.473 4.823 4.350 0.001 0.000 0.263 532 E C -0.912 175.704 176.600 0.028 0.000 0.881 532 E CA -0.662 55.781 56.400 0.071 0.000 0.757 532 E CB 2.279 32.047 29.700 0.114 0.000 1.147 532 E HN 0.614 nan 8.360 nan 0.000 0.414 533 I N -0.004 120.582 120.570 0.026 0.000 2.418 533 I HA 0.561 4.732 4.170 0.001 0.000 0.287 533 I C -0.449 175.675 176.117 0.011 0.000 1.008 533 I CA -0.561 60.745 61.300 0.010 0.000 1.104 533 I CB 1.031 39.040 38.000 0.015 0.000 1.264 533 I HN 0.548 nan 8.210 nan 0.000 0.438 534 E N 0.000 120.201 120.200 0.002 0.000 2.725 534 E HA 0.000 4.351 4.350 0.001 0.000 0.291 534 E CA 0.000 56.402 56.400 0.004 0.000 0.976 534 E CB 0.000 29.704 29.700 0.008 0.000 0.812 534 E HN 0.000 nan 8.360 nan 0.000 0.440