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 2j07_1_A DATA FIRST_RESID 2 DATA SEQUENCE GPLLVWHRGD LRLHDHPALL EALARGPVVG LVVLDPNNLK TTPRRRAWFL DATA SEQUENCE ENVRALREAY RARGGALWVL EGLPWEKVPE AARRLKAKAV YALTSHTPYG DATA SEQUENCE RYRDGRVREA LPVPLHLLPA PHLLPPDLPR AYRVYTPFSR LYRGAAPPLP DATA SEQUENCE PPEALPKGPE EGEIPREDPG LPLPEPGEEA ALAGLRAFLE AKLPRYAEER DATA SEQUENCE DRLDGEGGSR LSPYFALGVL SPRLAAWEAE RRGGEGARKW VAELLWRDFS DATA SEQUENCE YHLLYHFPWM AERPLDPRFQ AFPWQEDEAL FQAWYEGKTG VPLVDAAMRE DATA SEQUENCE LHATGFLSNR ARMNAAQFAV KHLLLPWKRC EEAFRHLLLD GDRAVNLQGW DATA SEQUENCE QWAGGLGVDA APYFRVFNPV LQGERHDPEG RWLKRWAPEY PSYAPKDPVV DATA SEQUENCE DLEEARRRYL RLARDLARG 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.901 174.900 0.001 0.000 0.946 2 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 3 P HA 0.513 nan 4.420 nan 0.000 0.274 3 P C -0.311 176.997 177.300 0.013 0.000 1.256 3 P CA -0.493 62.603 63.100 -0.007 0.000 0.795 3 P CB 1.248 32.926 31.700 -0.037 0.000 1.038 4 L N 0.381 121.629 121.223 0.042 0.000 2.309 4 L HA 0.415 4.754 4.340 -0.001 0.000 0.282 4 L C 0.466 177.384 176.870 0.080 0.000 1.036 4 L CA -0.863 54.046 54.840 0.114 0.000 0.806 4 L CB 0.854 43.024 42.059 0.184 0.000 1.220 4 L HN 0.200 nan 8.230 nan 0.000 0.429 5 L N 3.360 124.638 121.223 0.091 0.000 2.305 5 L HA 0.376 4.715 4.340 -0.001 0.000 0.281 5 L C -0.543 176.423 176.870 0.160 0.000 1.085 5 L CA -0.552 54.315 54.840 0.046 0.000 0.813 5 L CB 1.640 43.680 42.059 -0.032 0.000 1.157 5 L HN 0.309 nan 8.230 nan 0.000 0.436 6 V N 3.262 123.254 119.914 0.130 0.000 2.311 6 V HA 0.138 4.258 4.120 -0.001 0.000 0.275 6 V C -0.683 175.525 176.094 0.190 0.000 1.022 6 V CA -0.482 61.892 62.300 0.123 0.000 0.830 6 V CB 1.086 32.913 31.823 0.007 0.000 1.012 6 V HN 0.627 nan 8.190 nan 0.000 0.452 7 W N 6.838 128.138 121.300 -0.001 0.000 2.311 7 W HA 0.417 5.076 4.660 -0.001 0.000 0.317 7 W C 0.137 176.689 176.519 0.055 0.000 1.065 7 W CA -0.994 56.379 57.345 0.045 0.000 1.364 7 W CB -0.069 29.418 29.460 0.045 0.000 1.233 7 W HN 0.581 nan 8.180 nan 0.000 0.409 8 H N 6.305 125.559 119.070 0.308 0.000 2.646 8 H HA 0.238 4.793 4.556 -0.001 0.000 0.325 8 H C 0.166 175.554 175.328 0.101 0.000 1.075 8 H CA 0.254 56.405 56.048 0.173 0.000 1.421 8 H CB 1.524 31.390 29.762 0.172 0.000 1.461 8 H HN 0.348 nan 8.280 nan 0.000 0.525 9 R N 1.442 121.997 120.500 0.092 0.000 2.228 9 R HA 0.228 4.567 4.340 -0.001 0.000 0.117 9 R C 1.178 177.618 176.300 0.233 0.000 1.672 9 R CA 0.038 56.194 56.100 0.094 0.000 1.446 9 R CB -0.449 29.738 30.300 -0.188 0.000 1.215 9 R HN 0.606 nan 8.270 nan 0.000 0.451 10 G N 1.460 110.347 108.800 0.144 0.000 3.401 10 G HA2 0.196 4.155 3.960 -0.001 0.000 0.251 10 G HA3 0.196 4.155 3.960 -0.001 0.000 0.251 10 G C -1.103 173.870 174.900 0.123 0.000 0.960 10 G CA 0.045 45.254 45.100 0.181 0.000 1.900 10 G HN 0.598 nan 8.290 nan 0.000 0.645 11 D N -0.602 119.896 120.400 0.163 0.000 3.407 11 D HA 0.029 4.668 4.640 -0.001 0.000 0.291 11 D C 0.301 176.784 176.300 0.305 0.000 1.309 11 D CA -0.542 53.552 54.000 0.157 0.000 0.747 11 D CB -0.362 40.456 40.800 0.029 0.000 1.343 11 D HN 0.148 nan 8.370 nan 0.000 0.631 12 L N 1.876 123.186 121.223 0.145 0.000 2.437 12 L HA 0.350 4.689 4.340 -0.001 0.000 0.243 12 L C 0.437 177.312 176.870 0.009 0.000 1.346 12 L CA 0.054 54.904 54.840 0.017 0.000 1.233 12 L CB -0.828 41.145 42.059 -0.145 0.000 1.436 12 L HN 0.337 nan 8.230 nan 0.000 0.416 13 R N -0.089 120.470 120.500 0.098 0.000 2.752 13 R HA 0.528 4.867 4.340 -0.001 0.000 0.271 13 R C -0.362 176.011 176.300 0.121 0.000 1.026 13 R CA -1.023 55.102 56.100 0.042 0.000 0.901 13 R CB 1.182 31.382 30.300 -0.166 0.000 1.243 13 R HN 0.030 nan 8.270 nan 0.000 0.463 14 L N 0.056 121.315 121.223 0.060 0.000 2.425 14 L HA 0.189 4.528 4.340 -0.001 0.000 0.215 14 L C 0.865 177.779 176.870 0.075 0.000 1.065 14 L CA -0.328 54.538 54.840 0.045 0.000 0.842 14 L CB -0.217 41.819 42.059 -0.039 0.000 1.033 14 L HN 0.664 nan 8.230 nan 0.000 0.474 15 H N -0.037 119.072 119.070 0.065 0.000 2.707 15 H HA -0.012 4.543 4.556 -0.001 0.000 0.359 15 H C -0.409 174.962 175.328 0.072 0.000 1.113 15 H CA -0.114 55.963 56.048 0.047 0.000 1.422 15 H CB 0.636 30.416 29.762 0.030 0.000 1.443 15 H HN 0.036 nan 8.280 nan 0.000 0.591 16 D N 1.189 121.660 120.400 0.118 0.000 2.803 16 D HA -0.238 4.401 4.640 -0.001 0.000 0.233 16 D C -1.070 175.212 176.300 -0.030 0.000 1.182 16 D CA 0.827 54.852 54.000 0.041 0.000 0.726 16 D CB -1.503 39.356 40.800 0.098 0.000 0.987 16 D HN 0.710 nan 8.370 nan 0.000 0.412 17 H N 0.189 119.223 119.070 -0.060 0.000 2.791 17 H HA 0.303 4.858 4.556 -0.001 0.000 0.272 17 H C -2.002 173.287 175.328 -0.066 0.000 1.188 17 H CA -1.859 54.147 56.048 -0.069 0.000 1.436 17 H CB 1.377 31.107 29.762 -0.054 0.000 1.467 17 H HN 0.050 nan 8.280 nan 0.000 0.500 18 P HA -0.148 nan 4.420 nan 0.000 0.216 18 P C 1.316 178.671 177.300 0.091 0.000 1.153 18 P CA 2.045 65.162 63.100 0.029 0.000 0.858 18 P CB 0.317 32.007 31.700 -0.016 0.000 0.789 19 A N -0.724 122.223 122.820 0.212 0.000 1.877 19 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 19 A C 2.130 179.712 177.584 -0.004 0.000 1.186 19 A CA 1.495 53.630 52.037 0.163 0.000 0.620 19 A CB -1.675 17.466 19.000 0.234 0.000 0.822 19 A HN 0.152 nan 8.150 nan 0.000 0.443 20 L N 0.014 121.217 121.223 -0.034 0.000 1.989 20 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 20 L C 2.293 179.083 176.870 -0.134 0.000 1.071 20 L CA 1.917 56.645 54.840 -0.186 0.000 0.749 20 L CB -0.588 41.301 42.059 -0.283 0.000 0.890 20 L HN 0.422 nan 8.230 nan 0.000 0.431 21 L N -0.993 120.185 121.223 -0.076 0.000 2.072 21 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 21 L C 2.552 179.330 176.870 -0.154 0.000 1.079 21 L CA 1.299 56.082 54.840 -0.095 0.000 0.752 21 L CB -0.686 41.341 42.059 -0.054 0.000 0.906 21 L HN 0.308 nan 8.230 nan 0.000 0.436 22 E N 0.768 120.862 120.200 -0.176 0.000 2.097 22 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 22 E C 2.108 178.396 176.600 -0.520 0.000 1.000 22 E CA 1.778 58.015 56.400 -0.272 0.000 0.804 22 E CB -0.069 29.509 29.700 -0.203 0.000 0.740 22 E HN 0.406 nan 8.360 nan 0.000 0.454 23 A N 0.065 122.465 122.820 -0.701 0.000 1.872 23 A HA -0.079 4.240 4.320 -0.001 0.000 0.214 23 A C 2.312 179.706 177.584 -0.317 0.000 1.187 23 A CA 1.219 52.805 52.037 -0.752 0.000 0.614 23 A CB -0.715 17.947 19.000 -0.563 0.000 0.826 23 A HN 0.328 nan 8.150 nan 0.000 0.442 24 L N -0.582 120.513 121.223 -0.213 0.000 2.083 24 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 24 L C 2.993 179.799 176.870 -0.107 0.000 1.083 24 L CA 0.964 55.730 54.840 -0.123 0.000 0.752 24 L CB -0.383 41.615 42.059 -0.101 0.000 0.899 24 L HN 0.452 nan 8.230 nan 0.000 0.433 25 A N -0.387 122.359 122.820 -0.125 0.000 2.070 25 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 25 A C 2.281 179.819 177.584 -0.076 0.000 1.159 25 A CA 1.207 53.190 52.037 -0.090 0.000 0.656 25 A CB -0.338 18.609 19.000 -0.088 0.000 0.800 25 A HN 0.348 nan 8.150 nan 0.000 0.453 26 R N -1.323 119.120 120.500 -0.094 0.000 2.223 26 R HA 0.274 4.613 4.340 -0.001 0.000 0.198 26 R C 0.908 177.192 176.300 -0.025 0.000 0.984 26 R CA 0.819 56.890 56.100 -0.049 0.000 1.018 26 R CB 0.239 30.521 30.300 -0.030 0.000 0.945 26 R HN 0.519 nan 8.270 nan 0.000 0.479 27 G N 0.687 109.466 108.800 -0.036 0.000 2.317 27 G HA2 0.153 4.113 3.960 -0.001 0.000 0.293 27 G HA3 0.153 4.113 3.960 -0.001 0.000 0.293 27 G C -3.110 171.779 174.900 -0.018 0.000 1.287 27 G CA -1.066 44.025 45.100 -0.015 0.000 0.850 27 G HN -0.240 nan 8.290 nan 0.000 0.515 28 P HA 0.413 nan 4.420 nan 0.000 0.269 28 P C 0.117 177.420 177.300 0.004 0.000 1.209 28 P CA -0.165 62.935 63.100 0.001 0.000 0.776 28 P CB 1.228 32.933 31.700 0.008 0.000 0.876 29 V N 0.539 120.463 119.914 0.016 0.000 2.960 29 V HA 0.764 4.884 4.120 -0.001 0.000 0.315 29 V C -0.756 175.373 176.094 0.059 0.000 1.087 29 V CA -0.942 61.377 62.300 0.032 0.000 0.982 29 V CB 2.312 34.156 31.823 0.035 0.000 1.039 29 V HN 0.201 nan 8.190 nan 0.000 0.437 30 V N 2.115 122.047 119.914 0.031 0.000 2.638 30 V HA 0.813 4.933 4.120 -0.001 0.000 0.306 30 V C 0.800 176.909 176.094 0.025 0.000 1.052 30 V CA 0.211 62.515 62.300 0.007 0.000 0.885 30 V CB 1.657 33.367 31.823 -0.189 0.000 0.999 30 V HN 1.347 nan 8.190 nan 0.000 0.424 31 G N 2.650 111.474 108.800 0.041 0.000 2.476 31 G HA2 0.638 4.597 3.960 -0.001 0.000 0.286 31 G HA3 0.638 4.597 3.960 -0.001 0.000 0.286 31 G C -1.320 173.574 174.900 -0.009 0.000 1.177 31 G CA -0.317 44.803 45.100 0.032 0.000 0.870 31 G HN 0.662 nan 8.290 nan 0.000 0.528 32 L N 1.100 122.406 121.223 0.138 0.000 2.455 32 L HA 0.703 5.042 4.340 -0.001 0.000 0.264 32 L C -1.024 176.022 176.870 0.294 0.000 0.968 32 L CA -0.653 54.275 54.840 0.148 0.000 0.827 32 L CB 2.453 44.530 42.059 0.029 0.000 1.317 32 L HN 0.367 nan 8.230 nan 0.000 0.407 33 V N 4.958 125.009 119.914 0.229 0.000 2.495 33 V HA 0.596 4.715 4.120 -0.001 0.000 0.298 33 V C -0.632 175.615 176.094 0.255 0.000 1.031 33 V CA -0.695 61.795 62.300 0.317 0.000 0.871 33 V CB 2.061 34.009 31.823 0.209 0.000 0.988 33 V HN 0.537 nan 8.190 nan 0.000 0.432 34 V N 6.023 126.144 119.914 0.345 0.000 2.370 34 V HA 0.380 4.500 4.120 -0.001 0.000 0.283 34 V C 0.039 176.277 176.094 0.240 0.000 1.023 34 V CA -0.538 61.887 62.300 0.208 0.000 0.857 34 V CB 1.528 33.408 31.823 0.094 0.000 0.985 34 V HN 0.643 nan 8.190 nan 0.000 0.443 35 L N 4.677 125.998 121.223 0.164 0.000 2.454 35 L HA 0.317 4.657 4.340 -0.001 0.000 0.284 35 L C 0.074 176.974 176.870 0.049 0.000 1.139 35 L CA 0.057 54.978 54.840 0.135 0.000 0.911 35 L CB -0.019 42.111 42.059 0.119 0.000 1.262 35 L HN 0.595 nan 8.230 nan 0.000 0.453 36 D N 6.069 126.486 120.400 0.029 0.000 2.280 36 D HA 0.225 4.864 4.640 -0.001 0.000 0.236 36 D C -1.516 174.765 176.300 -0.031 0.000 1.082 36 D CA -2.299 51.708 54.000 0.012 0.000 0.834 36 D CB 2.034 42.898 40.800 0.106 0.000 1.100 36 D HN 0.123 nan 8.370 nan 0.000 0.486 37 P HA -0.114 nan 4.420 nan 0.000 0.222 37 P C 0.828 178.087 177.300 -0.069 0.000 1.147 37 P CA 0.628 63.700 63.100 -0.045 0.000 0.790 37 P CB 0.432 32.113 31.700 -0.033 0.000 0.780 38 N N -0.063 118.585 118.700 -0.088 0.000 2.289 38 N HA -0.076 4.663 4.740 -0.001 0.000 0.184 38 N C 1.201 176.574 175.510 -0.228 0.000 1.016 38 N CA 0.904 53.825 53.050 -0.215 0.000 0.872 38 N CB -0.247 37.950 38.487 -0.483 0.000 0.973 38 N HN 0.290 nan 8.380 nan 0.000 0.433 39 N N 0.037 118.639 118.700 -0.163 0.000 2.322 39 N HA 0.116 4.856 4.740 -0.001 0.000 0.181 39 N C 1.397 176.821 175.510 -0.143 0.000 1.088 39 N CA 0.057 53.013 53.050 -0.156 0.000 0.885 39 N CB 0.543 38.914 38.487 -0.193 0.000 1.013 39 N HN 0.208 nan 8.380 nan 0.000 0.472 40 L N 0.561 121.713 121.223 -0.118 0.000 2.585 40 L HA 0.181 4.520 4.340 -0.001 0.000 0.226 40 L C 0.299 177.134 176.870 -0.057 0.000 1.113 40 L CA 0.239 55.030 54.840 -0.082 0.000 0.876 40 L CB 0.275 42.302 42.059 -0.054 0.000 1.072 40 L HN -0.167 nan 8.230 nan 0.000 0.468 41 K N 0.993 121.352 120.400 -0.068 0.000 2.307 41 K HA 0.158 4.477 4.320 -0.001 0.000 0.240 41 K C 0.023 176.562 176.600 -0.100 0.000 1.214 41 K CA 0.018 56.266 56.287 -0.066 0.000 1.149 41 K CB 0.319 32.785 32.500 -0.056 0.000 1.668 41 K HN -0.007 nan 8.250 nan 0.000 0.314 42 T N -0.708 113.782 114.554 -0.107 0.000 2.654 42 T HA 0.236 4.585 4.350 -0.001 0.000 0.289 42 T C -0.471 174.149 174.700 -0.132 0.000 1.062 42 T CA -0.552 61.437 62.100 -0.185 0.000 1.041 42 T CB 1.141 69.936 68.868 -0.122 0.000 1.417 42 T HN 0.417 nan 8.240 nan 0.000 0.510 43 T N 1.237 115.710 114.554 -0.135 0.000 2.898 43 T HA 0.316 4.665 4.350 -0.001 0.000 0.301 43 T C -1.886 172.822 174.700 0.013 0.000 1.049 43 T CA -0.965 61.108 62.100 -0.044 0.000 1.095 43 T CB 0.333 69.200 68.868 -0.002 0.000 0.976 43 T HN 0.324 nan 8.240 nan 0.000 0.539 44 P HA -0.188 nan 4.420 nan 0.000 0.215 44 P C 1.822 179.166 177.300 0.074 0.000 1.157 44 P CA 1.336 64.466 63.100 0.049 0.000 0.874 44 P CB -0.060 31.668 31.700 0.045 0.000 0.790 45 R N 0.202 120.743 120.500 0.067 0.000 2.103 45 R HA -0.136 4.204 4.340 -0.001 0.000 0.242 45 R C 2.048 178.433 176.300 0.142 0.000 1.142 45 R CA 1.596 57.745 56.100 0.080 0.000 0.960 45 R CB -0.909 29.411 30.300 0.034 0.000 0.858 45 R HN 0.167 nan 8.270 nan 0.000 0.439 46 R N 0.226 120.808 120.500 0.136 0.000 2.093 46 R HA 0.088 4.427 4.340 -0.001 0.000 0.224 46 R C 2.542 178.981 176.300 0.232 0.000 1.101 46 R CA 1.141 57.365 56.100 0.206 0.000 0.979 46 R CB -0.138 30.250 30.300 0.148 0.000 0.877 46 R HN 0.281 nan 8.270 nan 0.000 0.441 47 R N 0.583 121.176 120.500 0.155 0.000 2.073 47 R HA -0.068 4.271 4.340 -0.001 0.000 0.234 47 R C 2.342 178.766 176.300 0.207 0.000 1.134 47 R CA 1.577 57.770 56.100 0.154 0.000 0.952 47 R CB -0.383 29.971 30.300 0.091 0.000 0.850 47 R HN 0.175 nan 8.270 nan 0.000 0.433 48 A N 0.835 123.766 122.820 0.186 0.000 1.898 48 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 48 A C 1.935 179.669 177.584 0.249 0.000 1.181 48 A CA 0.948 53.094 52.037 0.181 0.000 0.620 48 A CB -0.984 18.106 19.000 0.151 0.000 0.819 48 A HN 0.643 nan 8.150 nan 0.000 0.442 49 W N -0.539 120.809 121.300 0.080 0.000 2.335 49 W HA -0.256 4.403 4.660 -0.002 0.000 0.311 49 W C 1.910 178.489 176.519 0.100 0.000 1.213 49 W CA 1.669 59.054 57.345 0.066 0.000 1.274 49 W CB -0.316 29.179 29.460 0.058 0.000 1.148 49 W HN 0.396 nan 8.180 nan 0.000 0.498 50 F N 1.291 121.239 119.950 -0.003 0.000 2.075 50 F HA -0.220 4.307 4.527 -0.001 0.000 0.297 50 F C 2.398 178.129 175.800 -0.115 0.000 1.113 50 F CA 2.278 60.207 58.000 -0.119 0.000 1.218 50 F CB -0.952 38.049 39.000 0.002 0.000 0.984 50 F HN -0.268 nan 8.300 nan 0.000 0.472 51 L N 0.093 121.362 121.223 0.078 0.000 2.013 51 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 51 L C 2.498 179.283 176.870 -0.142 0.000 1.073 51 L CA 1.543 56.372 54.840 -0.020 0.000 0.753 51 L CB -0.826 41.276 42.059 0.072 0.000 0.890 51 L HN 0.140 nan 8.230 nan 0.000 0.432 52 E N -0.206 119.923 120.200 -0.119 0.000 2.150 52 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 52 E C 1.902 178.355 176.600 -0.246 0.000 0.985 52 E CA 0.713 57.038 56.400 -0.126 0.000 0.814 52 E CB -0.416 29.272 29.700 -0.019 0.000 0.752 52 E HN 0.529 nan 8.360 nan 0.000 0.466 53 N N 0.615 119.046 118.700 -0.448 0.000 2.244 53 N HA -0.088 4.651 4.740 -0.001 0.000 0.183 53 N C 1.941 177.212 175.510 -0.400 0.000 1.016 53 N CA 0.638 53.401 53.050 -0.479 0.000 0.866 53 N CB 0.147 38.217 38.487 -0.694 0.000 0.980 53 N HN 0.019 nan 8.380 nan 0.000 0.430 54 V N 1.529 121.160 119.914 -0.472 0.000 2.358 54 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 54 V C 2.574 178.540 176.094 -0.213 0.000 1.047 54 V CA 1.346 63.423 62.300 -0.372 0.000 1.035 54 V CB -0.462 31.142 31.823 -0.366 0.000 0.658 54 V HN 0.261 nan 8.190 nan 0.000 0.452 55 R N 0.327 120.725 120.500 -0.171 0.000 2.083 55 R HA -0.208 4.131 4.340 -0.001 0.000 0.237 55 R C 2.312 178.561 176.300 -0.086 0.000 1.137 55 R CA 1.863 57.900 56.100 -0.104 0.000 0.951 55 R CB -0.510 29.744 30.300 -0.076 0.000 0.851 55 R HN 0.485 nan 8.270 nan 0.000 0.434 56 A N 0.884 123.644 122.820 -0.100 0.000 1.940 56 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 56 A C 2.027 179.583 177.584 -0.048 0.000 1.176 56 A CA 1.328 53.326 52.037 -0.064 0.000 0.631 56 A CB -0.559 18.398 19.000 -0.072 0.000 0.814 56 A HN 0.402 nan 8.150 nan 0.000 0.446 57 L N -0.231 120.941 121.223 -0.084 0.000 2.056 57 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 57 L C 2.427 179.324 176.870 0.045 0.000 1.078 57 L CA 2.282 57.098 54.840 -0.040 0.000 0.749 57 L CB -0.617 41.353 42.059 -0.149 0.000 0.901 57 L HN 0.479 nan 8.230 nan 0.000 0.433 58 R N -0.638 119.838 120.500 -0.040 0.000 2.083 58 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 58 R C 2.091 178.423 176.300 0.053 0.000 1.137 58 R CA 1.617 57.705 56.100 -0.021 0.000 0.951 58 R CB -0.191 30.070 30.300 -0.066 0.000 0.851 58 R HN 0.369 nan 8.270 nan 0.000 0.434 59 E N 0.409 120.622 120.200 0.022 0.000 2.085 59 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 59 E C 1.886 178.517 176.600 0.051 0.000 0.994 59 E CA 1.431 57.848 56.400 0.029 0.000 0.801 59 E CB -0.348 29.358 29.700 0.009 0.000 0.743 59 E HN 0.506 nan 8.360 nan 0.000 0.453 60 A N 0.352 123.207 122.820 0.059 0.000 1.877 60 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 60 A C 2.120 179.737 177.584 0.055 0.000 1.186 60 A CA 1.355 53.418 52.037 0.044 0.000 0.620 60 A CB -0.901 18.115 19.000 0.027 0.000 0.822 60 A HN 0.235 nan 8.150 nan 0.000 0.443 61 Y N -0.087 120.195 120.300 -0.030 0.000 2.097 61 Y HA -0.231 4.318 4.550 -0.001 0.000 0.282 61 Y C 2.753 178.651 175.900 -0.002 0.000 1.152 61 Y CA 2.236 60.329 58.100 -0.013 0.000 1.136 61 Y CB -0.304 38.151 38.460 -0.009 0.000 0.975 61 Y HN 0.236 nan 8.280 nan 0.000 0.498 62 R N -0.480 120.123 120.500 0.171 0.000 2.083 62 R HA -0.205 4.134 4.340 -0.001 0.000 0.237 62 R C 2.463 178.795 176.300 0.054 0.000 1.137 62 R CA 1.317 57.473 56.100 0.093 0.000 0.951 62 R CB -0.771 29.565 30.300 0.059 0.000 0.851 62 R HN 0.336 nan 8.270 nan 0.000 0.434 63 A N 0.933 123.777 122.820 0.039 0.000 2.024 63 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 63 A C 1.830 179.418 177.584 0.006 0.000 1.164 63 A CA 1.309 53.356 52.037 0.017 0.000 0.643 63 A CB -0.260 18.745 19.000 0.009 0.000 0.806 63 A HN 0.233 nan 8.150 nan 0.000 0.451 64 R N -1.869 118.631 120.500 -0.001 0.000 2.359 64 R HA 0.267 4.607 4.340 -0.001 0.000 0.231 64 R C 1.087 177.385 176.300 -0.004 0.000 0.913 64 R CA 0.524 56.611 56.100 -0.022 0.000 1.075 64 R CB 0.151 30.408 30.300 -0.071 0.000 1.087 64 R HN 0.649 nan 8.270 nan 0.000 0.515 65 G N 0.016 108.831 108.800 0.024 0.000 2.141 65 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.242 65 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.242 65 G C 0.245 175.183 174.900 0.064 0.000 0.982 65 G CA -0.146 44.975 45.100 0.036 0.000 0.662 65 G HN 0.528 nan 8.290 nan 0.000 0.527 66 G N -0.983 107.878 108.800 0.102 0.000 2.601 66 G HA2 0.882 4.841 3.960 -0.001 0.000 0.317 66 G HA3 0.882 4.841 3.960 -0.001 0.000 0.317 66 G C -0.217 174.853 174.900 0.283 0.000 1.246 66 G CA -0.023 45.190 45.100 0.188 0.000 1.012 66 G HN 1.579 nan 8.290 nan 0.000 0.494 67 A N -0.354 122.670 122.820 0.340 0.000 2.311 67 A HA 0.625 4.944 4.320 -0.001 0.000 0.306 67 A C -1.255 176.356 177.584 0.044 0.000 1.189 67 A CA -0.462 51.703 52.037 0.213 0.000 0.791 67 A CB 1.394 20.524 19.000 0.216 0.000 1.172 67 A HN 0.901 nan 8.150 nan 0.000 0.481 68 L N 3.023 124.155 121.223 -0.152 0.000 2.316 68 L HA 0.718 5.057 4.340 -0.001 0.000 0.280 68 L C -1.346 175.535 176.870 0.018 0.000 1.006 68 L CA -0.374 54.230 54.840 -0.393 0.000 0.836 68 L CB 0.425 42.033 42.059 -0.752 0.000 1.221 68 L HN 0.696 nan 8.230 nan 0.000 0.418 69 W N 4.764 125.954 121.300 -0.183 0.000 2.218 69 W HA 0.527 5.186 4.660 -0.002 0.000 0.326 69 W C -0.423 176.040 176.519 -0.094 0.000 1.276 69 W CA -0.379 56.900 57.345 -0.110 0.000 1.210 69 W CB 1.168 30.579 29.460 -0.081 0.000 1.143 69 W HN 0.204 nan 8.180 nan 0.000 0.563 70 V N 5.725 125.686 119.914 0.079 0.000 2.482 70 V HA 0.426 4.545 4.120 -0.001 0.000 0.295 70 V C -0.243 175.869 176.094 0.031 0.000 1.026 70 V CA -0.975 61.357 62.300 0.054 0.000 0.856 70 V CB 0.849 32.672 31.823 -0.000 0.000 1.001 70 V HN 0.333 nan 8.190 nan 0.000 0.424 71 L N 3.343 124.603 121.223 0.062 0.000 2.319 71 L HA 0.718 5.057 4.340 -0.001 0.000 0.267 71 L C -0.351 176.530 176.870 0.017 0.000 1.011 71 L CA -0.679 54.177 54.840 0.026 0.000 0.818 71 L CB 2.580 44.665 42.059 0.043 0.000 1.316 71 L HN 0.616 nan 8.230 nan 0.000 0.432 72 E N 0.410 120.605 120.200 -0.009 0.000 2.176 72 E HA 0.678 5.027 4.350 -0.001 0.000 0.267 72 E C -0.422 176.151 176.600 -0.045 0.000 0.893 72 E CA -0.196 56.197 56.400 -0.011 0.000 0.761 72 E CB 1.804 31.500 29.700 -0.008 0.000 1.133 72 E HN 0.751 nan 8.360 nan 0.000 0.409 73 G N 2.487 111.249 108.800 -0.064 0.000 2.340 73 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.282 73 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.282 73 G C -1.302 173.472 174.900 -0.211 0.000 1.312 73 G CA -1.023 44.005 45.100 -0.121 0.000 0.942 73 G HN 0.493 nan 8.290 nan 0.000 0.495 74 L N 1.269 122.275 121.223 -0.361 0.000 2.410 74 L HA 0.229 4.568 4.340 -0.001 0.000 0.273 74 L C -1.237 175.183 176.870 -0.750 0.000 1.152 74 L CA -1.382 53.001 54.840 -0.763 0.000 0.855 74 L CB 1.186 42.538 42.059 -1.179 0.000 1.129 74 L HN 0.328 nan 8.230 nan 0.000 0.463 75 P HA -0.179 nan 4.420 nan 0.000 0.217 75 P C 1.009 178.147 177.300 -0.269 0.000 1.148 75 P CA 1.491 64.414 63.100 -0.294 0.000 0.828 75 P CB 0.026 31.803 31.700 0.128 0.000 0.783 76 W N -0.337 120.932 121.300 -0.052 0.000 2.800 76 W HA 0.152 4.811 4.660 -0.001 0.000 0.249 76 W C 1.408 177.884 176.519 -0.072 0.000 1.294 76 W CA 0.197 57.494 57.345 -0.081 0.000 1.402 76 W CB -1.163 28.258 29.460 -0.064 0.000 1.126 76 W HN 0.008 nan 8.180 nan 0.000 0.652 77 E N 1.014 121.068 120.200 -0.244 0.000 2.099 77 E HA -0.065 4.284 4.350 -0.001 0.000 0.191 77 E C 2.125 178.636 176.600 -0.149 0.000 0.962 77 E CA 0.526 56.838 56.400 -0.147 0.000 0.826 77 E CB -0.108 29.484 29.700 -0.180 0.000 0.788 77 E HN 0.044 nan 8.360 nan 0.000 0.461 78 K N 0.921 121.194 120.400 -0.212 0.000 2.116 78 K HA 0.006 4.325 4.320 -0.001 0.000 0.203 78 K C 2.262 178.732 176.600 -0.217 0.000 1.052 78 K CA 0.535 56.718 56.287 -0.173 0.000 0.952 78 K CB -0.317 32.084 32.500 -0.164 0.000 0.729 78 K HN 0.009 nan 8.250 nan 0.000 0.446 79 V N 1.931 121.640 119.914 -0.342 0.000 2.295 79 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 79 V C -0.921 175.023 176.094 -0.250 0.000 1.049 79 V CA 1.767 63.809 62.300 -0.430 0.000 1.024 79 V CB -1.242 30.144 31.823 -0.729 0.000 0.648 79 V HN 0.152 nan 8.190 nan 0.000 0.447 80 P HA -0.144 nan 4.420 nan 0.000 0.218 80 P C 1.654 178.901 177.300 -0.088 0.000 1.149 80 P CA 1.335 64.370 63.100 -0.109 0.000 0.817 80 P CB 0.077 31.740 31.700 -0.062 0.000 0.785 81 E N 0.066 120.220 120.200 -0.077 0.000 2.033 81 E HA -0.255 4.094 4.350 -0.001 0.000 0.199 81 E C 1.940 178.523 176.600 -0.028 0.000 1.011 81 E CA 1.563 57.943 56.400 -0.032 0.000 0.815 81 E CB -0.599 29.095 29.700 -0.010 0.000 0.755 81 E HN 0.046 nan 8.360 nan 0.000 0.451 82 A N 1.234 124.017 122.820 -0.061 0.000 1.892 82 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 82 A C 2.431 179.857 177.584 -0.264 0.000 1.188 82 A CA 2.321 54.252 52.037 -0.177 0.000 0.631 82 A CB -0.970 17.884 19.000 -0.244 0.000 0.822 82 A HN 0.461 nan 8.150 nan 0.000 0.447 83 A N -0.627 122.073 122.820 -0.200 0.000 1.933 83 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 83 A C 2.279 179.791 177.584 -0.121 0.000 1.175 83 A CA 1.602 53.539 52.037 -0.167 0.000 0.628 83 A CB -0.454 18.467 19.000 -0.132 0.000 0.814 83 A HN 0.561 nan 8.150 nan 0.000 0.444 84 R N -0.866 119.582 120.500 -0.085 0.000 2.066 84 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 84 R C 2.466 178.745 176.300 -0.036 0.000 1.131 84 R CA 1.507 57.578 56.100 -0.048 0.000 0.955 84 R CB -0.287 29.997 30.300 -0.025 0.000 0.851 84 R HN 0.484 nan 8.270 nan 0.000 0.432 85 R N 0.392 120.880 120.500 -0.021 0.000 2.120 85 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 85 R C 2.019 178.316 176.300 -0.005 0.000 1.123 85 R CA 1.022 57.148 56.100 0.044 0.000 0.975 85 R CB -0.155 30.264 30.300 0.198 0.000 0.866 85 R HN 0.201 nan 8.270 nan 0.000 0.446 86 L N 0.502 121.639 121.223 -0.143 0.000 2.558 86 L HA 0.077 4.416 4.340 -0.001 0.000 0.225 86 L C 0.200 177.013 176.870 -0.095 0.000 1.128 86 L CA 0.189 54.928 54.840 -0.169 0.000 0.868 86 L CB 0.018 41.860 42.059 -0.362 0.000 1.006 86 L HN 0.077 nan 8.230 nan 0.000 0.454 87 K N -0.031 120.326 120.400 -0.071 0.000 3.077 87 K HA -0.197 4.123 4.320 -0.001 0.000 0.264 87 K C 0.354 176.922 176.600 -0.054 0.000 1.008 87 K CA 0.310 56.567 56.287 -0.049 0.000 0.740 87 K CB -1.727 30.758 32.500 -0.026 0.000 1.273 87 K HN 0.349 nan 8.250 nan 0.000 0.477 88 A N 1.049 123.821 122.820 -0.081 0.000 2.445 88 A HA 0.079 4.398 4.320 -0.001 0.000 0.242 88 A C 1.174 178.738 177.584 -0.032 0.000 1.075 88 A CA 0.029 52.028 52.037 -0.064 0.000 0.777 88 A CB 0.405 19.349 19.000 -0.094 0.000 1.013 88 A HN 0.357 nan 8.150 nan 0.000 0.493 89 K N 0.440 120.841 120.400 0.002 0.000 2.243 89 K HA 0.279 4.598 4.320 -0.001 0.000 0.201 89 K C 0.524 177.131 176.600 0.013 0.000 1.051 89 K CA 1.242 57.539 56.287 0.017 0.000 0.970 89 K CB 0.073 32.601 32.500 0.047 0.000 0.755 89 K HN 0.849 nan 8.250 nan 0.000 0.465 90 A N 0.163 122.999 122.820 0.026 0.000 2.601 90 A HA 0.511 4.830 4.320 -0.001 0.000 0.291 90 A C -1.543 176.028 177.584 -0.021 0.000 1.075 90 A CA -0.743 51.268 52.037 -0.042 0.000 0.671 90 A CB 1.417 20.404 19.000 -0.022 0.000 1.277 90 A HN -0.120 nan 8.150 nan 0.000 0.417 91 V N 0.721 120.556 119.914 -0.132 0.000 2.555 91 V HA 0.597 4.716 4.120 -0.001 0.000 0.302 91 V C -1.321 174.716 176.094 -0.096 0.000 1.038 91 V CA -0.403 61.891 62.300 -0.010 0.000 0.887 91 V CB 1.264 33.094 31.823 0.011 0.000 0.991 91 V HN 0.743 nan 8.190 nan 0.000 0.434 92 Y N 2.153 122.532 120.300 0.132 0.000 2.429 92 Y HA 0.853 5.402 4.550 -0.001 0.000 0.342 92 Y C 0.335 176.303 175.900 0.115 0.000 1.004 92 Y CA -0.401 57.777 58.100 0.131 0.000 1.075 92 Y CB 2.257 40.774 38.460 0.095 0.000 1.214 92 Y HN 0.841 nan 8.280 nan 0.000 0.455 93 A N 2.181 125.121 122.820 0.200 0.000 2.610 93 A HA 0.714 5.033 4.320 -0.001 0.000 0.291 93 A C -1.925 175.661 177.584 0.004 0.000 1.086 93 A CA -0.910 51.158 52.037 0.053 0.000 0.677 93 A CB 1.113 20.040 19.000 -0.121 0.000 1.278 93 A HN 0.691 nan 8.150 nan 0.000 0.414 94 L N 1.682 122.862 121.223 -0.070 0.000 2.331 94 L HA 0.320 4.659 4.340 -0.001 0.000 0.278 94 L C 0.546 177.321 176.870 -0.159 0.000 1.106 94 L CA -0.473 54.302 54.840 -0.107 0.000 0.824 94 L CB 1.023 42.980 42.059 -0.171 0.000 1.142 94 L HN 0.809 nan 8.230 nan 0.000 0.443 95 T N 1.716 116.183 114.554 -0.145 0.000 2.923 95 T HA -0.050 4.300 4.350 -0.001 0.000 0.304 95 T C 0.340 174.854 174.700 -0.309 0.000 1.044 95 T CA 0.319 62.270 62.100 -0.249 0.000 1.141 95 T CB 0.418 69.114 68.868 -0.287 0.000 1.023 95 T HN 0.598 nan 8.240 nan 0.000 0.533 96 S N 1.413 116.913 115.700 -0.334 0.000 2.498 96 S HA 0.316 4.785 4.470 -0.001 0.000 0.317 96 S C 0.107 174.534 174.600 -0.287 0.000 1.090 96 S CA -0.813 57.235 58.200 -0.254 0.000 1.089 96 S CB 0.396 63.501 63.200 -0.160 0.000 0.997 96 S HN 0.773 nan 8.310 nan 0.000 0.470 97 H N 2.054 121.122 119.070 -0.003 0.000 2.524 97 H HA 0.193 4.749 4.556 -0.001 0.000 0.280 97 H C 1.076 176.488 175.328 0.139 0.000 1.018 97 H CA 0.361 56.448 56.048 0.065 0.000 1.165 97 H CB 0.255 30.009 29.762 -0.012 0.000 1.411 97 H HN 0.635 nan 8.280 nan 0.000 0.569 98 T N -2.698 111.945 114.554 0.148 0.000 2.899 98 T HA 0.103 4.452 4.350 -0.001 0.000 0.284 98 T C -1.583 173.196 174.700 0.131 0.000 1.004 98 T CA -2.058 60.134 62.100 0.154 0.000 1.043 98 T CB 1.780 70.740 68.868 0.154 0.000 1.013 98 T HN -0.149 nan 8.240 nan 0.000 0.518 99 P HA -0.119 nan 4.420 nan 0.000 0.215 99 P C 1.061 178.468 177.300 0.178 0.000 1.157 99 P CA 0.962 64.138 63.100 0.127 0.000 0.874 99 P CB -0.161 31.606 31.700 0.112 0.000 0.790 100 Y N 0.498 120.871 120.300 0.122 0.000 2.200 100 Y HA -0.039 4.510 4.550 -0.001 0.000 0.290 100 Y C 2.434 178.444 175.900 0.182 0.000 1.137 100 Y CA 1.821 60.027 58.100 0.177 0.000 1.163 100 Y CB -1.131 37.422 38.460 0.156 0.000 0.988 100 Y HN -0.141 nan 8.280 nan 0.000 0.518 101 G N 0.350 109.130 108.800 -0.033 0.000 2.476 101 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 101 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 101 G C 1.847 176.655 174.900 -0.153 0.000 1.164 101 G CA 1.012 46.035 45.100 -0.129 0.000 0.768 101 G HN 0.358 nan 8.290 nan 0.000 0.560 102 R N -1.184 119.277 120.500 -0.065 0.000 2.073 102 R HA -0.030 4.309 4.340 -0.001 0.000 0.229 102 R C 2.312 178.560 176.300 -0.088 0.000 1.120 102 R CA 1.173 57.239 56.100 -0.056 0.000 0.967 102 R CB -0.528 29.780 30.300 0.013 0.000 0.862 102 R HN 0.517 nan 8.270 nan 0.000 0.436 103 Y N 1.865 122.072 120.300 -0.154 0.000 2.089 103 Y HA -0.275 4.274 4.550 -0.001 0.000 0.282 103 Y C 2.572 178.314 175.900 -0.265 0.000 1.139 103 Y CA 1.814 59.802 58.100 -0.187 0.000 1.123 103 Y CB -0.317 38.061 38.460 -0.137 0.000 0.980 103 Y HN -0.129 nan 8.280 nan 0.000 0.493 104 R N 0.267 120.439 120.500 -0.546 0.000 2.080 104 R HA -0.187 4.153 4.340 -0.001 0.000 0.236 104 R C 1.727 177.923 176.300 -0.172 0.000 1.137 104 R CA 2.268 58.131 56.100 -0.395 0.000 0.943 104 R CB -0.596 29.489 30.300 -0.358 0.000 0.846 104 R HN 0.371 nan 8.270 nan 0.000 0.431 105 D N -0.336 119.985 120.400 -0.132 0.000 2.144 105 D HA -0.092 4.547 4.640 -0.001 0.000 0.199 105 D C 1.772 178.021 176.300 -0.086 0.000 0.984 105 D CA 1.466 55.450 54.000 -0.026 0.000 0.834 105 D CB -0.592 40.168 40.800 -0.067 0.000 0.955 105 D HN 0.544 nan 8.370 nan 0.000 0.465 106 G N 0.900 109.588 108.800 -0.187 0.000 2.446 106 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 106 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 106 G C 1.779 176.525 174.900 -0.255 0.000 1.168 106 G CA 0.334 45.311 45.100 -0.205 0.000 0.771 106 G HN 0.127 nan 8.290 nan 0.000 0.551 107 R N -0.014 120.217 120.500 -0.447 0.000 2.096 107 R HA -0.004 4.335 4.340 -0.001 0.000 0.235 107 R C 2.765 178.990 176.300 -0.126 0.000 1.127 107 R CA 0.890 56.719 56.100 -0.451 0.000 0.968 107 R CB -0.896 28.786 30.300 -1.031 0.000 0.861 107 R HN 0.363 nan 8.270 nan 0.000 0.440 108 V N 0.810 120.725 119.914 0.003 0.000 2.307 108 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 108 V C 2.614 178.711 176.094 0.005 0.000 1.045 108 V CA 1.927 64.276 62.300 0.083 0.000 1.024 108 V CB -0.548 31.373 31.823 0.164 0.000 0.651 108 V HN 0.313 nan 8.190 nan 0.000 0.449 109 R N 0.191 120.678 120.500 -0.022 0.000 2.105 109 R HA -0.215 4.124 4.340 -0.001 0.000 0.239 109 R C 2.189 178.453 176.300 -0.060 0.000 1.135 109 R CA 1.995 58.064 56.100 -0.051 0.000 0.967 109 R CB -0.201 30.060 30.300 -0.064 0.000 0.861 109 R HN 0.631 nan 8.270 nan 0.000 0.442 110 E N -0.314 119.844 120.200 -0.069 0.000 2.072 110 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 110 E C 1.805 178.382 176.600 -0.039 0.000 0.985 110 E CA 1.310 57.673 56.400 -0.063 0.000 0.801 110 E CB -0.050 29.598 29.700 -0.087 0.000 0.750 110 E HN 0.499 nan 8.360 nan 0.000 0.452 111 A N 0.599 123.407 122.820 -0.020 0.000 2.123 111 A HA 0.085 4.405 4.320 -0.001 0.000 0.214 111 A C 1.007 178.581 177.584 -0.017 0.000 1.152 111 A CA 0.046 52.085 52.037 0.003 0.000 0.728 111 A CB -0.038 18.998 19.000 0.059 0.000 0.814 111 A HN 0.065 nan 8.150 nan 0.000 0.464 112 L N 0.919 122.121 121.223 -0.035 0.000 2.380 112 L HA 0.206 4.545 4.340 -0.001 0.000 0.273 112 L C -1.274 175.563 176.870 -0.054 0.000 1.138 112 L CA -1.362 53.446 54.840 -0.055 0.000 0.832 112 L CB 1.235 43.249 42.059 -0.074 0.000 1.124 112 L HN 0.157 nan 8.230 nan 0.000 0.454 113 P HA 0.055 nan 4.420 nan 0.000 0.262 113 P C -0.383 176.883 177.300 -0.056 0.000 1.304 113 P CA 0.275 63.346 63.100 -0.047 0.000 0.859 113 P CB 0.313 31.991 31.700 -0.036 0.000 1.310 114 V N -4.271 115.598 119.914 -0.075 0.000 3.074 114 V HA 0.735 4.854 4.120 -0.001 0.000 0.314 114 V C -3.084 172.921 176.094 -0.148 0.000 1.117 114 V CA -3.220 59.025 62.300 -0.092 0.000 1.014 114 V CB 1.130 32.905 31.823 -0.081 0.000 1.057 114 V HN -0.324 nan 8.190 nan 0.000 0.438 115 P HA 0.329 nan 4.420 nan 0.000 0.268 115 P C -0.960 176.066 177.300 -0.456 0.000 1.205 115 P CA -0.025 62.839 63.100 -0.394 0.000 0.771 115 P CB 0.414 31.734 31.700 -0.634 0.000 0.858 116 L N 4.586 125.571 121.223 -0.396 0.000 2.276 116 L HA 0.322 4.661 4.340 -0.001 0.000 0.286 116 L C -0.708 175.931 176.870 -0.385 0.000 1.024 116 L CA -0.189 54.470 54.840 -0.302 0.000 0.826 116 L CB -0.164 41.836 42.059 -0.098 0.000 1.211 116 L HN 0.354 nan 8.230 nan 0.000 0.422 117 H N 6.749 125.654 119.070 -0.275 0.000 2.594 117 H HA 0.407 4.962 4.556 -0.001 0.000 0.304 117 H C -0.764 174.513 175.328 -0.085 0.000 1.068 117 H CA -0.330 55.573 56.048 -0.242 0.000 1.308 117 H CB 1.173 30.620 29.762 -0.525 0.000 1.409 117 H HN 0.559 nan 8.280 nan 0.000 0.460 118 L N 4.918 126.182 121.223 0.067 0.000 2.296 118 L HA 0.326 4.666 4.340 -0.001 0.000 0.286 118 L C -0.353 176.551 176.870 0.056 0.000 1.023 118 L CA -0.706 54.156 54.840 0.036 0.000 0.812 118 L CB 1.230 43.269 42.059 -0.034 0.000 1.223 118 L HN 0.221 nan 8.230 nan 0.000 0.421 119 L N 4.685 125.941 121.223 0.056 0.000 2.330 119 L HA 0.589 4.929 4.340 -0.001 0.000 0.271 119 L C -2.265 174.614 176.870 0.015 0.000 1.013 119 L CA -1.574 53.297 54.840 0.052 0.000 0.816 119 L CB 1.585 43.687 42.059 0.071 0.000 1.287 119 L HN 0.308 nan 8.230 nan 0.000 0.435 120 P HA 0.130 nan 4.420 nan 0.000 0.267 120 P C -0.862 176.450 177.300 0.021 0.000 1.209 120 P CA -0.232 62.905 63.100 0.062 0.000 0.763 120 P CB 0.612 32.363 31.700 0.085 0.000 0.816 121 A N 6.369 129.194 122.820 0.007 0.000 2.483 121 A HA 0.311 4.630 4.320 -0.001 0.000 0.238 121 A C -2.004 175.505 177.584 -0.125 0.000 1.070 121 A CA -0.932 51.039 52.037 -0.110 0.000 0.770 121 A CB -1.154 17.744 19.000 -0.170 0.000 1.008 121 A HN 0.399 nan 8.150 nan 0.000 0.497 122 P HA 0.251 nan 4.420 nan 0.000 0.271 122 P C -0.389 176.777 177.300 -0.223 0.000 1.220 122 P CA 0.645 63.681 63.100 -0.107 0.000 0.768 122 P CB 0.432 32.086 31.700 -0.077 0.000 0.848 123 H N 1.222 120.335 119.070 0.072 0.000 2.949 123 H HA 0.250 4.806 4.556 -0.001 0.000 0.356 123 H C 0.687 176.080 175.328 0.110 0.000 1.212 123 H CA -0.510 55.595 56.048 0.095 0.000 1.136 123 H CB 1.515 31.340 29.762 0.105 0.000 1.869 123 H HN 0.093 nan 8.280 nan 0.000 0.556 124 L N 0.202 121.569 121.223 0.241 0.000 2.102 124 L HA 0.134 4.474 4.340 -0.001 0.000 0.202 124 L C 0.520 177.512 176.870 0.204 0.000 1.076 124 L CA 1.347 56.302 54.840 0.192 0.000 0.761 124 L CB 0.111 42.081 42.059 -0.149 0.000 0.921 124 L HN 0.254 nan 8.230 nan 0.000 0.444 125 L N 0.192 121.487 121.223 0.121 0.000 2.408 125 L HA 0.434 4.773 4.340 -0.001 0.000 0.268 125 L C -2.443 174.462 176.870 0.059 0.000 0.986 125 L CA -1.898 52.967 54.840 0.041 0.000 0.820 125 L CB 2.345 44.259 42.059 -0.241 0.000 1.303 125 L HN -0.152 nan 8.230 nan 0.000 0.411 126 P HA 0.189 nan 4.420 nan 0.000 0.274 126 P C -2.376 174.869 177.300 -0.092 0.000 1.231 126 P CA -1.441 61.565 63.100 -0.157 0.000 0.790 126 P CB 0.538 32.190 31.700 -0.081 0.000 0.951 127 P HA -0.058 nan 4.420 nan 0.000 0.231 127 P C 0.311 177.452 177.300 -0.265 0.000 1.168 127 P CA 1.230 64.250 63.100 -0.134 0.000 0.779 127 P CB 0.117 31.664 31.700 -0.255 0.000 0.844 128 D N -1.264 118.816 120.400 -0.533 0.000 2.623 128 D HA 0.087 4.726 4.640 -0.001 0.000 0.252 128 D C 0.370 176.558 176.300 -0.187 0.000 1.294 128 D CA -0.709 52.791 54.000 -0.834 0.000 0.824 128 D CB -0.401 39.579 40.800 -1.367 0.000 1.070 128 D HN -0.081 nan 8.370 nan 0.000 0.487 129 L N 1.433 122.717 121.223 0.102 0.000 2.499 129 L HA 0.166 4.505 4.340 -0.001 0.000 0.281 129 L C -1.009 176.043 176.870 0.302 0.000 1.234 129 L CA -1.273 53.682 54.840 0.192 0.000 0.839 129 L CB 0.236 42.442 42.059 0.244 0.000 1.104 129 L HN -0.122 nan 8.230 nan 0.000 0.500 130 P HA -0.068 nan 4.420 nan 0.000 0.216 130 P C 0.250 177.648 177.300 0.164 0.000 1.153 130 P CA 0.799 63.994 63.100 0.159 0.000 0.844 130 P CB 0.143 31.895 31.700 0.086 0.000 0.787 131 R N 0.809 121.362 120.500 0.089 0.000 2.442 131 R HA 0.380 4.720 4.340 -0.001 0.000 0.291 131 R C -0.216 175.934 176.300 -0.251 0.000 1.069 131 R CA -0.061 55.969 56.100 -0.116 0.000 1.022 131 R CB 0.197 30.338 30.300 -0.266 0.000 0.976 131 R HN 0.036 nan 8.270 nan 0.000 0.443 132 A N 5.311 127.951 122.820 -0.300 0.000 2.289 132 A HA 0.396 4.716 4.320 -0.001 0.000 0.298 132 A C -1.158 176.319 177.584 -0.179 0.000 1.208 132 A CA -0.302 51.518 52.037 -0.362 0.000 0.845 132 A CB 0.336 19.211 19.000 -0.207 0.000 1.125 132 A HN 0.676 nan 8.150 nan 0.000 0.517 133 Y N 1.107 121.648 120.300 0.402 0.000 2.393 133 Y HA 0.449 4.998 4.550 -0.001 0.000 0.341 133 Y C 1.244 177.441 175.900 0.495 0.000 0.988 133 Y CA -0.602 57.710 58.100 0.353 0.000 1.078 133 Y CB 2.291 40.862 38.460 0.185 0.000 1.203 133 Y HN 0.767 nan 8.280 nan 0.000 0.453 134 R N 1.072 121.861 120.500 0.482 0.000 2.312 134 R HA 0.256 4.595 4.340 -0.001 0.000 0.205 134 R C -0.704 175.855 176.300 0.433 0.000 0.904 134 R CA 0.184 56.485 56.100 0.334 0.000 1.052 134 R CB 0.574 30.925 30.300 0.084 0.000 1.014 134 R HN 0.290 nan 8.270 nan 0.000 0.503 135 V N 0.224 120.373 119.914 0.392 0.000 2.604 135 V HA 0.083 4.203 4.120 -0.001 0.000 0.305 135 V C -0.049 175.944 176.094 -0.169 0.000 1.043 135 V CA -0.861 61.559 62.300 0.200 0.000 0.888 135 V CB 1.731 33.639 31.823 0.142 0.000 0.995 135 V HN 0.083 nan 8.190 nan 0.000 0.429 136 Y N 3.188 123.084 120.300 -0.673 0.000 2.220 136 Y HA -0.165 4.385 4.550 -0.001 0.000 0.291 136 Y C 2.302 177.799 175.900 -0.672 0.000 1.129 136 Y CA 2.543 59.812 58.100 -1.384 0.000 1.161 136 Y CB 0.013 37.550 38.460 -1.537 0.000 0.997 136 Y HN 0.695 nan 8.280 nan 0.000 0.522 137 T N 1.924 116.282 114.554 -0.326 0.000 2.652 137 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 137 T C -0.532 173.931 174.700 -0.395 0.000 1.039 137 T CA 2.255 64.179 62.100 -0.294 0.000 1.153 137 T CB -1.135 67.700 68.868 -0.055 0.000 0.863 137 T HN 0.278 nan 8.240 nan 0.000 0.428 138 P HA -0.018 nan 4.420 nan 0.000 0.218 138 P C 1.222 178.056 177.300 -0.776 0.000 1.149 138 P CA 0.680 63.569 63.100 -0.351 0.000 0.817 138 P CB -0.142 31.511 31.700 -0.079 0.000 0.785 139 F N 1.316 120.578 119.950 -1.147 0.000 2.113 139 F HA -0.190 4.336 4.527 -0.001 0.000 0.297 139 F C 2.235 177.507 175.800 -0.880 0.000 1.103 139 F CA 1.961 59.197 58.000 -1.274 0.000 1.248 139 F CB -0.855 37.528 39.000 -1.028 0.000 0.999 139 F HN -0.073 nan 8.300 nan 0.000 0.475 140 S N 0.374 115.513 115.700 -0.935 0.000 2.423 140 S HA -0.175 4.294 4.470 -0.001 0.000 0.231 140 S C 1.994 176.287 174.600 -0.512 0.000 1.014 140 S CA 0.901 58.585 58.200 -0.859 0.000 0.965 140 S CB -0.750 61.825 63.200 -1.042 0.000 0.785 140 S HN 0.543 nan 8.310 nan 0.000 0.495 141 R N 0.610 120.838 120.500 -0.454 0.000 2.237 141 R HA 0.241 4.581 4.340 -0.001 0.000 0.219 141 R C 1.851 177.999 176.300 -0.254 0.000 1.080 141 R CA 0.883 56.817 56.100 -0.276 0.000 0.995 141 R CB -0.490 29.678 30.300 -0.220 0.000 0.875 141 R HN 0.446 nan 8.270 nan 0.000 0.462 142 L N -0.442 120.564 121.223 -0.363 0.000 2.376 142 L HA -0.047 4.293 4.340 -0.001 0.000 0.219 142 L C 0.614 177.363 176.870 -0.201 0.000 1.133 142 L CA 0.147 54.819 54.840 -0.281 0.000 0.816 142 L CB -0.207 41.634 42.059 -0.363 0.000 0.933 142 L HN 0.144 nan 8.230 nan 0.000 0.449 143 Y N 1.335 121.427 120.300 -0.347 0.000 2.359 143 Y HA 0.151 4.701 4.550 -0.001 0.000 0.334 143 Y C 0.907 176.718 175.900 -0.149 0.000 1.058 143 Y CA -0.467 57.488 58.100 -0.242 0.000 1.244 143 Y CB 0.407 38.713 38.460 -0.257 0.000 1.187 143 Y HN -0.069 nan 8.280 nan 0.000 0.510 144 R N 4.347 124.457 120.500 -0.649 0.000 2.613 144 R HA 0.345 4.685 4.340 -0.001 0.000 0.361 144 R C -0.155 175.776 176.300 -0.614 0.000 1.072 144 R CA 0.263 56.070 56.100 -0.488 0.000 1.089 144 R CB 0.136 30.279 30.300 -0.261 0.000 1.343 144 R HN 0.959 nan 8.270 nan 0.000 0.571 145 G N 0.549 108.589 108.800 -1.266 0.000 2.697 145 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.686 145 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.686 145 G C -0.675 174.001 174.900 -0.374 0.000 1.179 145 G CA -0.575 44.127 45.100 -0.663 0.000 0.765 145 G HN 0.314 nan 8.290 nan 0.000 0.649 146 A N 0.896 123.779 122.820 0.106 0.000 2.425 146 A HA 0.881 5.200 4.320 -0.001 0.000 0.249 146 A C 1.203 178.989 177.584 0.336 0.000 1.084 146 A CA 1.182 53.415 52.037 0.327 0.000 0.781 146 A CB 0.459 19.748 19.000 0.481 0.000 1.019 146 A HN 2.581 nan 8.150 nan 0.000 0.490 147 A N 3.488 126.440 122.820 0.220 0.000 2.366 147 A HA 0.600 4.920 4.320 -0.001 0.000 0.249 147 A C -2.346 175.224 177.584 -0.022 0.000 1.084 147 A CA -1.259 50.853 52.037 0.125 0.000 0.794 147 A CB -0.520 18.504 19.000 0.040 0.000 1.034 147 A HN 0.638 nan 8.150 nan 0.000 0.491 148 P HA 0.255 nan 4.420 nan 0.000 0.271 148 P C -2.474 174.498 177.300 -0.546 0.000 1.216 148 P CA -0.979 61.485 63.100 -1.060 0.000 0.776 148 P CB 0.065 31.201 31.700 -0.939 0.000 0.881 149 P HA 0.192 nan 4.420 nan 0.000 0.276 149 P C -0.497 176.688 177.300 -0.192 0.000 1.252 149 P CA -0.203 62.760 63.100 -0.229 0.000 0.802 149 P CB 0.833 32.467 31.700 -0.111 0.000 1.035 150 L N 2.231 123.401 121.223 -0.088 0.000 2.371 150 L HA 0.347 4.687 4.340 -0.001 0.000 0.272 150 L C -1.648 175.206 176.870 -0.027 0.000 1.124 150 L CA -2.061 52.742 54.840 -0.062 0.000 0.816 150 L CB 0.537 42.577 42.059 -0.032 0.000 1.129 150 L HN 0.292 nan 8.230 nan 0.000 0.448 151 P HA 0.182 nan 4.420 nan 0.000 0.272 151 P C -2.658 174.651 177.300 0.015 0.000 1.230 151 P CA -1.360 61.735 63.100 -0.008 0.000 0.788 151 P CB -0.021 31.665 31.700 -0.023 0.000 0.949 152 P HA 0.235 nan 4.420 nan 0.000 0.274 152 P C -2.253 175.034 177.300 -0.021 0.000 1.246 152 P CA -1.565 61.546 63.100 0.019 0.000 0.795 152 P CB -1.071 30.650 31.700 0.035 0.000 1.006 153 P HA 0.121 nan 4.420 nan 0.000 0.271 153 P C 0.590 177.857 177.300 -0.055 0.000 1.244 153 P CA 0.143 63.204 63.100 -0.064 0.000 0.793 153 P CB 1.093 32.732 31.700 -0.102 0.000 0.984 154 E N 0.107 120.278 120.200 -0.048 0.000 2.034 154 E HA 0.173 4.523 4.350 -0.001 0.000 0.192 154 E C 0.525 177.098 176.600 -0.044 0.000 0.963 154 E CA 0.444 56.820 56.400 -0.039 0.000 0.831 154 E CB -0.143 29.540 29.700 -0.029 0.000 0.801 154 E HN 0.587 nan 8.360 nan 0.000 0.463 155 A N 0.506 123.301 122.820 -0.041 0.000 2.337 155 A HA 0.639 4.958 4.320 -0.001 0.000 0.331 155 A C -0.957 176.597 177.584 -0.050 0.000 1.137 155 A CA -0.563 51.450 52.037 -0.040 0.000 0.807 155 A CB 0.759 19.745 19.000 -0.023 0.000 1.250 155 A HN 0.169 nan 8.150 nan 0.000 0.468 156 L N 1.868 123.060 121.223 -0.051 0.000 2.334 156 L HA 0.494 4.833 4.340 -0.001 0.000 0.272 156 L C -2.013 174.855 176.870 -0.003 0.000 1.020 156 L CA -2.079 52.732 54.840 -0.048 0.000 0.812 156 L CB 2.003 44.013 42.059 -0.083 0.000 1.264 156 L HN 0.513 nan 8.230 nan 0.000 0.439 157 P HA 0.046 nan 4.420 nan 0.000 0.271 157 P C -0.921 176.407 177.300 0.047 0.000 1.216 157 P CA -0.429 62.684 63.100 0.022 0.000 0.776 157 P CB 0.705 32.416 31.700 0.018 0.000 0.881 158 K N 1.296 121.722 120.400 0.043 0.000 2.485 158 K HA 0.356 4.675 4.320 -0.001 0.000 0.277 158 K C 0.277 176.918 176.600 0.068 0.000 0.990 158 K CA 0.445 56.765 56.287 0.056 0.000 0.994 158 K CB -0.097 32.428 32.500 0.042 0.000 0.906 158 K HN 0.793 nan 8.250 nan 0.000 0.488 159 G N 3.430 112.286 108.800 0.092 0.000 2.649 159 G HA2 0.401 4.360 3.960 -0.001 0.000 0.290 159 G HA3 0.401 4.360 3.960 -0.001 0.000 0.290 159 G C -2.934 172.054 174.900 0.146 0.000 1.426 159 G CA -0.944 44.221 45.100 0.108 0.000 0.794 159 G HN 0.523 nan 8.290 nan 0.000 0.483 160 P HA 0.327 nan 4.420 nan 0.000 0.279 160 P C -0.822 176.681 177.300 0.339 0.000 1.239 160 P CA -0.190 63.044 63.100 0.224 0.000 0.789 160 P CB 2.081 33.931 31.700 0.250 0.000 0.933 161 E N 1.368 121.632 120.200 0.106 0.000 2.179 161 E HA 0.334 4.684 4.350 -0.001 0.000 0.275 161 E C -0.982 175.342 176.600 -0.459 0.000 0.945 161 E CA -0.475 55.890 56.400 -0.059 0.000 0.792 161 E CB 1.089 30.767 29.700 -0.036 0.000 1.125 161 E HN 0.334 nan 8.360 nan 0.000 0.397 162 E N 1.976 121.540 120.200 -1.060 0.000 2.343 162 E HA 0.653 5.002 4.350 -0.001 0.000 0.270 162 E C -1.042 175.165 176.600 -0.655 0.000 0.895 162 E CA 0.166 55.945 56.400 -1.036 0.000 0.767 162 E CB 1.869 30.515 29.700 -1.757 0.000 1.248 162 E HN 0.714 nan 8.360 nan 0.000 0.440 163 G N 2.321 110.875 108.800 -0.410 0.000 2.650 163 G HA2 0.059 4.018 3.960 -0.001 0.000 0.686 163 G HA3 0.059 4.018 3.960 -0.001 0.000 0.686 163 G C -1.235 173.574 174.900 -0.152 0.000 1.205 163 G CA -0.676 44.281 45.100 -0.239 0.000 0.781 163 G HN 0.414 nan 8.290 nan 0.000 0.648 164 E N -0.278 119.862 120.200 -0.100 0.000 2.207 164 E HA 0.644 4.993 4.350 -0.001 0.000 0.270 164 E C 0.112 176.686 176.600 -0.044 0.000 0.927 164 E CA -0.827 55.531 56.400 -0.070 0.000 0.799 164 E CB 1.903 31.568 29.700 -0.059 0.000 1.172 164 E HN 0.546 nan 8.360 nan 0.000 0.404 165 I N 3.277 123.825 120.570 -0.037 0.000 2.337 165 I HA 0.218 4.387 4.170 -0.001 0.000 0.285 165 I C -2.100 174.012 176.117 -0.008 0.000 1.041 165 I CA -1.964 59.324 61.300 -0.020 0.000 1.199 165 I CB 0.920 38.899 38.000 -0.034 0.000 1.370 165 I HN 0.055 nan 8.210 nan 0.000 0.470 166 P HA 0.111 nan 4.420 nan 0.000 0.267 166 P C -0.589 176.721 177.300 0.017 0.000 1.200 166 P CA -0.170 62.937 63.100 0.011 0.000 0.772 166 P CB 0.479 32.192 31.700 0.022 0.000 0.855 167 R N 2.666 123.175 120.500 0.016 0.000 2.198 167 R HA 0.305 4.645 4.340 -0.001 0.000 0.339 167 R C 0.073 176.390 176.300 0.029 0.000 1.020 167 R CA -0.269 55.844 56.100 0.022 0.000 0.864 167 R CB 0.938 31.247 30.300 0.015 0.000 1.105 167 R HN 0.556 nan 8.270 nan 0.000 0.463 168 E N 1.071 121.296 120.200 0.042 0.000 2.277 168 E HA 0.102 4.452 4.350 -0.001 0.000 0.266 168 E C -1.209 175.422 176.600 0.052 0.000 0.901 168 E CA -0.923 55.504 56.400 0.046 0.000 0.782 168 E CB 1.972 31.705 29.700 0.054 0.000 1.228 168 E HN 0.288 nan 8.360 nan 0.000 0.424 169 D N 2.631 123.059 120.400 0.046 0.000 2.339 169 D HA 0.107 4.746 4.640 -0.001 0.000 0.241 169 D C -1.473 174.860 176.300 0.055 0.000 1.183 169 D CA -2.243 51.785 54.000 0.046 0.000 0.859 169 D CB 1.140 41.962 40.800 0.037 0.000 1.067 169 D HN 0.123 nan 8.370 nan 0.000 0.484 170 P HA 0.025 nan 4.420 nan 0.000 0.221 170 P C 0.915 178.246 177.300 0.050 0.000 1.150 170 P CA 1.170 64.311 63.100 0.069 0.000 0.800 170 P CB 0.262 32.011 31.700 0.082 0.000 0.787 171 G N -0.413 108.413 108.800 0.044 0.000 2.179 171 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.260 171 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.260 171 G C -0.099 174.821 174.900 0.034 0.000 0.977 171 G CA 0.390 45.513 45.100 0.038 0.000 0.641 171 G HN 0.597 nan 8.290 nan 0.000 0.533 172 L N -4.644 116.597 121.223 0.031 0.000 2.775 172 L HA 0.829 5.169 4.340 -0.001 0.000 0.263 172 L C -2.958 173.925 176.870 0.022 0.000 1.017 172 L CA -2.700 52.155 54.840 0.025 0.000 0.891 172 L CB 0.047 42.113 42.059 0.012 0.000 1.482 172 L HN -0.150 nan 8.230 nan 0.000 0.410 173 P HA 0.408 nan 4.420 nan 0.000 0.270 173 P C -0.725 176.567 177.300 -0.015 0.000 1.242 173 P CA 0.190 63.299 63.100 0.015 0.000 0.768 173 P CB 0.357 32.069 31.700 0.020 0.000 0.820 174 L N 5.858 127.085 121.223 0.007 0.000 2.418 174 L HA 0.357 4.696 4.340 -0.001 0.000 0.265 174 L C -1.493 175.351 176.870 -0.044 0.000 1.143 174 L CA -1.985 52.837 54.840 -0.030 0.000 0.809 174 L CB -0.158 41.988 42.059 0.144 0.000 1.124 174 L HN 0.253 nan 8.230 nan 0.000 0.456 175 P HA -0.015 nan 4.420 nan 0.000 0.271 175 P C -0.677 176.743 177.300 0.201 0.000 1.238 175 P CA -0.449 62.611 63.100 -0.066 0.000 0.794 175 P CB 0.358 31.881 31.700 -0.296 0.000 0.959 176 E N 2.018 122.365 120.200 0.246 0.000 2.351 176 E HA 0.063 4.413 4.350 -0.001 0.000 0.266 176 E C -1.941 174.923 176.600 0.439 0.000 1.031 176 E CA -1.626 54.941 56.400 0.278 0.000 0.911 176 E CB 0.011 29.826 29.700 0.192 0.000 0.986 176 E HN 0.215 nan 8.360 nan 0.000 0.446 177 P HA 0.288 nan 4.420 nan 0.000 0.276 177 P C -0.091 177.302 177.300 0.155 0.000 1.244 177 P CA 0.094 63.317 63.100 0.205 0.000 0.801 177 P CB 1.065 32.744 31.700 -0.035 0.000 1.006 178 G N 1.162 110.024 108.800 0.103 0.000 2.662 178 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.686 178 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.686 178 G C 0.615 175.527 174.900 0.019 0.000 1.271 178 G CA 0.152 45.272 45.100 0.032 0.000 0.816 178 G HN 0.664 nan 8.290 nan 0.000 0.608 179 E N -0.287 119.918 120.200 0.008 0.000 2.285 179 E HA -0.054 4.295 4.350 -0.001 0.000 0.194 179 E C 1.709 178.271 176.600 -0.063 0.000 0.997 179 E CA 1.214 57.617 56.400 0.006 0.000 0.845 179 E CB 0.029 29.824 29.700 0.159 0.000 0.782 179 E HN 0.681 nan 8.360 nan 0.000 0.491 180 E N 0.775 120.951 120.200 -0.041 0.000 2.077 180 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 180 E C 2.035 178.582 176.600 -0.088 0.000 0.989 180 E CA 1.154 57.521 56.400 -0.054 0.000 0.800 180 E CB -0.107 29.579 29.700 -0.024 0.000 0.746 180 E HN 0.403 nan 8.360 nan 0.000 0.452 181 A N 1.096 123.865 122.820 -0.085 0.000 1.930 181 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 181 A C 2.335 179.735 177.584 -0.306 0.000 1.175 181 A CA 1.625 53.602 52.037 -0.100 0.000 0.627 181 A CB -0.608 18.415 19.000 0.038 0.000 0.815 181 A HN 0.391 nan 8.150 nan 0.000 0.443 182 A N 0.012 122.481 122.820 -0.585 0.000 1.858 182 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 182 A C 2.160 179.498 177.584 -0.410 0.000 1.190 182 A CA 1.543 53.035 52.037 -0.909 0.000 0.617 182 A CB -0.730 17.758 19.000 -0.854 0.000 0.827 182 A HN 0.461 nan 8.150 nan 0.000 0.443 183 L N -0.649 120.411 121.223 -0.272 0.000 2.079 183 L HA -0.215 4.125 4.340 -0.001 0.000 0.210 183 L C 3.085 179.883 176.870 -0.120 0.000 1.081 183 L CA 1.082 55.811 54.840 -0.185 0.000 0.752 183 L CB -0.605 41.337 42.059 -0.194 0.000 0.896 183 L HN 0.447 nan 8.230 nan 0.000 0.433 184 A N 0.412 123.165 122.820 -0.112 0.000 1.908 184 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 184 A C 2.429 179.983 177.584 -0.049 0.000 1.181 184 A CA 1.833 53.831 52.037 -0.065 0.000 0.627 184 A CB -1.295 17.675 19.000 -0.049 0.000 0.818 184 A HN 0.448 nan 8.150 nan 0.000 0.445 185 G N -0.269 108.485 108.800 -0.076 0.000 2.418 185 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.217 185 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.217 185 G C 1.487 176.395 174.900 0.013 0.000 1.158 185 G CA 1.207 46.290 45.100 -0.028 0.000 0.771 185 G HN 0.531 nan 8.290 nan 0.000 0.545 186 L N 0.904 122.118 121.223 -0.016 0.000 2.017 186 L HA 0.066 4.405 4.340 -0.001 0.000 0.208 186 L C 2.749 179.650 176.870 0.051 0.000 1.073 186 L CA 2.437 57.309 54.840 0.053 0.000 0.745 186 L CB -0.605 41.486 42.059 0.052 0.000 0.894 186 L HN 0.309 nan 8.230 nan 0.000 0.432 187 R N -0.286 120.217 120.500 0.006 0.000 2.092 187 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 187 R C 2.104 178.387 176.300 -0.029 0.000 1.119 187 R CA 1.338 57.430 56.100 -0.014 0.000 0.970 187 R CB -0.509 29.779 30.300 -0.021 0.000 0.864 187 R HN 0.432 nan 8.270 nan 0.000 0.440 188 A N 0.528 123.344 122.820 -0.008 0.000 1.902 188 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 188 A C 2.006 179.577 177.584 -0.022 0.000 1.181 188 A CA 1.252 53.282 52.037 -0.011 0.000 0.623 188 A CB -0.796 18.211 19.000 0.012 0.000 0.818 188 A HN 0.574 nan 8.150 nan 0.000 0.443 189 F N 0.618 120.495 119.950 -0.122 0.000 2.113 189 F HA -0.079 4.447 4.527 -0.001 0.000 0.297 189 F C 1.803 177.456 175.800 -0.246 0.000 1.103 189 F CA 1.585 59.478 58.000 -0.178 0.000 1.248 189 F CB -0.267 38.597 39.000 -0.226 0.000 0.999 189 F HN 0.119 nan 8.300 nan 0.000 0.475 190 L N -0.020 120.964 121.223 -0.398 0.000 2.201 190 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 190 L C 2.539 179.180 176.870 -0.383 0.000 1.105 190 L CA 1.364 55.906 54.840 -0.497 0.000 0.775 190 L CB -0.682 41.237 42.059 -0.233 0.000 0.913 190 L HN 0.270 nan 8.230 nan 0.000 0.440 191 E N 0.116 120.161 120.200 -0.258 0.000 2.042 191 E HA -0.116 4.233 4.350 -0.001 0.000 0.189 191 E C 2.120 178.603 176.600 -0.195 0.000 0.974 191 E CA 1.199 57.492 56.400 -0.178 0.000 0.806 191 E CB 0.220 29.854 29.700 -0.110 0.000 0.769 191 E HN 0.416 nan 8.360 nan 0.000 0.451 192 A N 0.488 123.184 122.820 -0.206 0.000 1.924 192 A HA 0.030 4.349 4.320 -0.001 0.000 0.211 192 A C 1.912 179.379 177.584 -0.196 0.000 1.198 192 A CA 0.792 52.737 52.037 -0.153 0.000 0.657 192 A CB 0.126 19.074 19.000 -0.086 0.000 0.852 192 A HN 0.006 nan 8.150 nan 0.000 0.454 193 K N -1.185 119.004 120.400 -0.352 0.000 2.365 193 K HA 0.250 4.569 4.320 -0.001 0.000 0.195 193 K C 1.622 177.945 176.600 -0.461 0.000 1.079 193 K CA 0.125 56.219 56.287 -0.322 0.000 0.979 193 K CB 0.047 32.462 32.500 -0.142 0.000 0.929 193 K HN 0.266 nan 8.250 nan 0.000 0.523 194 L N 2.313 123.034 121.223 -0.837 0.000 2.043 194 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 194 L C -1.317 175.434 176.870 -0.199 0.000 1.075 194 L CA 2.022 56.464 54.840 -0.662 0.000 0.752 194 L CB -0.799 40.839 42.059 -0.701 0.000 0.891 194 L HN 0.016 nan 8.230 nan 0.000 0.432 195 P HA -0.180 nan 4.420 nan 0.000 0.217 195 P C 0.707 178.002 177.300 -0.008 0.000 1.151 195 P CA 1.587 64.647 63.100 -0.067 0.000 0.849 195 P CB -0.063 31.592 31.700 -0.075 0.000 0.787 196 R N -2.482 118.019 120.500 0.002 0.000 2.586 196 R HA 0.151 4.490 4.340 -0.001 0.000 0.336 196 R C 1.291 177.633 176.300 0.068 0.000 1.060 196 R CA -0.252 55.865 56.100 0.029 0.000 1.079 196 R CB -0.527 29.779 30.300 0.009 0.000 1.317 196 R HN 0.277 nan 8.270 nan 0.000 0.568 197 Y N 1.613 121.928 120.300 0.024 0.000 2.224 197 Y HA -0.179 4.370 4.550 -0.001 0.000 0.289 197 Y C 2.148 178.114 175.900 0.110 0.000 1.146 197 Y CA 1.595 59.763 58.100 0.113 0.000 1.182 197 Y CB 0.011 38.593 38.460 0.203 0.000 0.983 197 Y HN 0.112 nan 8.280 nan 0.000 0.524 198 A N -0.030 122.777 122.820 -0.022 0.000 1.969 198 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 198 A C 1.866 179.373 177.584 -0.129 0.000 1.169 198 A CA 1.820 53.799 52.037 -0.097 0.000 0.635 198 A CB -0.490 18.531 19.000 0.035 0.000 0.810 198 A HN 0.530 nan 8.150 nan 0.000 0.445 199 E N -0.377 119.779 120.200 -0.074 0.000 2.442 199 E HA 0.019 4.368 4.350 -0.001 0.000 0.195 199 E C 1.063 177.625 176.600 -0.064 0.000 1.030 199 E CA 0.661 57.031 56.400 -0.051 0.000 0.869 199 E CB 0.261 29.951 29.700 -0.017 0.000 0.857 199 E HN 0.555 nan 8.360 nan 0.000 0.505 200 E N -0.341 119.798 120.200 -0.103 0.000 2.641 200 E HA 0.071 4.420 4.350 -0.001 0.000 0.224 200 E C 1.137 177.662 176.600 -0.126 0.000 0.951 200 E CA 0.021 56.379 56.400 -0.069 0.000 1.102 200 E CB 0.509 30.209 29.700 0.001 0.000 1.091 200 E HN 0.276 nan 8.360 nan 0.000 0.507 201 R N 0.702 121.023 120.500 -0.300 0.000 2.307 201 R HA 0.084 4.423 4.340 -0.001 0.000 0.199 201 R C 0.526 176.676 176.300 -0.250 0.000 1.000 201 R CA 0.840 56.733 56.100 -0.345 0.000 1.023 201 R CB 0.030 29.850 30.300 -0.801 0.000 0.908 201 R HN -0.131 nan 8.270 nan 0.000 0.473 202 D N 1.143 121.400 120.400 -0.239 0.000 2.368 202 D HA 0.065 4.705 4.640 -0.001 0.000 0.218 202 D C -0.177 175.926 176.300 -0.329 0.000 1.112 202 D CA -0.149 53.649 54.000 -0.337 0.000 0.834 202 D CB 0.364 40.938 40.800 -0.375 0.000 0.953 202 D HN 0.186 nan 8.370 nan 0.000 0.505 203 R N 0.775 121.171 120.500 -0.173 0.000 2.640 203 R HA 0.084 4.424 4.340 -0.001 0.000 0.270 203 R C 1.608 177.726 176.300 -0.305 0.000 1.024 203 R CA -0.108 55.903 56.100 -0.148 0.000 1.085 203 R CB 1.100 31.355 30.300 -0.075 0.000 0.963 203 R HN 0.056 nan 8.270 nan 0.000 0.426 204 L N 1.950 122.925 121.223 -0.413 0.000 2.201 204 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 204 L C 1.764 178.007 176.870 -1.044 0.000 1.105 204 L CA 1.248 55.579 54.840 -0.848 0.000 0.775 204 L CB -0.324 41.064 42.059 -1.118 0.000 0.913 204 L HN 0.753 nan 8.230 nan 0.000 0.440 205 D N -0.515 119.518 120.400 -0.611 0.000 2.347 205 D HA -0.059 4.580 4.640 -0.001 0.000 0.215 205 D C 1.559 177.871 176.300 0.020 0.000 0.976 205 D CA 0.838 54.712 54.000 -0.210 0.000 0.884 205 D CB -0.300 40.606 40.800 0.175 0.000 0.915 205 D HN 0.207 nan 8.370 nan 0.000 0.526 206 G N 0.573 109.349 108.800 -0.041 0.000 2.187 206 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.261 206 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.261 206 G C 0.814 175.812 174.900 0.163 0.000 1.000 206 G CA 0.471 45.627 45.100 0.093 0.000 0.718 206 G HN 0.366 nan 8.290 nan 0.000 0.519 207 E N -0.215 120.060 120.200 0.125 0.000 2.481 207 E HA 0.071 4.421 4.350 -0.001 0.000 0.195 207 E C 2.362 179.056 176.600 0.156 0.000 1.047 207 E CA 0.789 57.273 56.400 0.139 0.000 0.867 207 E CB -0.208 29.566 29.700 0.124 0.000 0.858 207 E HN 0.574 nan 8.360 nan 0.000 0.513 208 G N 0.658 109.552 108.800 0.157 0.000 2.712 208 G HA2 0.051 4.011 3.960 -0.001 0.000 0.212 208 G HA3 0.051 4.011 3.960 -0.001 0.000 0.212 208 G C 0.824 175.988 174.900 0.439 0.000 1.142 208 G CA 0.491 45.721 45.100 0.217 0.000 0.789 208 G HN 0.248 nan 8.290 nan 0.000 0.535 209 G N -0.398 108.635 108.800 0.389 0.000 2.552 209 G HA2 0.395 4.355 3.960 -0.001 0.000 0.318 209 G HA3 0.395 4.355 3.960 -0.001 0.000 0.318 209 G C 1.189 176.163 174.900 0.123 0.000 1.240 209 G CA 0.632 45.988 45.100 0.427 0.000 1.002 209 G HN 0.300 nan 8.290 nan 0.000 0.493 210 S N -1.275 114.253 115.700 -0.288 0.000 2.446 210 S HA -0.003 4.466 4.470 -0.001 0.000 0.225 210 S C 1.319 175.873 174.600 -0.077 0.000 1.016 210 S CA 0.742 58.631 58.200 -0.518 0.000 0.943 210 S CB -0.153 62.593 63.200 -0.757 0.000 0.786 210 S HN 0.707 nan 8.310 nan 0.000 0.508 211 R N -0.059 120.455 120.500 0.024 0.000 3.651 211 R HA -0.112 4.228 4.340 -0.001 0.000 0.292 211 R C 0.097 176.403 176.300 0.011 0.000 1.161 211 R CA 0.942 56.979 56.100 -0.105 0.000 0.787 211 R CB -2.465 27.650 30.300 -0.309 0.000 1.249 211 R HN 0.485 nan 8.270 nan 0.000 0.476 212 L N -0.391 120.934 121.223 0.169 0.000 2.585 212 L HA 0.016 4.356 4.340 -0.001 0.000 0.226 212 L C 2.189 179.221 176.870 0.270 0.000 1.113 212 L CA 0.777 55.747 54.840 0.217 0.000 0.876 212 L CB 0.178 42.269 42.059 0.054 0.000 1.072 212 L HN 0.288 nan 8.230 nan 0.000 0.468 213 S N 0.450 116.385 115.700 0.391 0.000 2.387 213 S HA -0.106 4.364 4.470 -0.001 0.000 0.230 213 S C -0.627 174.171 174.600 0.331 0.000 1.035 213 S CA 0.926 59.398 58.200 0.453 0.000 1.014 213 S CB -1.678 61.745 63.200 0.372 0.000 0.836 213 S HN 0.257 nan 8.310 nan 0.000 0.466 214 P HA -0.005 nan 4.420 nan 0.000 0.221 214 P C 0.774 178.286 177.300 0.354 0.000 1.150 214 P CA 0.998 64.162 63.100 0.106 0.000 0.800 214 P CB -0.225 31.210 31.700 -0.442 0.000 0.787 215 Y N -2.176 118.333 120.300 0.348 0.000 2.220 215 Y HA -0.046 4.503 4.550 -0.001 0.000 0.291 215 Y C 2.235 178.223 175.900 0.146 0.000 1.129 215 Y CA 0.794 59.021 58.100 0.211 0.000 1.161 215 Y CB -1.267 37.196 38.460 0.006 0.000 0.997 215 Y HN -0.138 nan 8.280 nan 0.000 0.522 216 F N -0.139 120.040 119.950 0.382 0.000 2.126 216 F HA -0.272 4.255 4.527 -0.001 0.000 0.299 216 F C 2.532 178.493 175.800 0.268 0.000 1.096 216 F CA 0.753 58.921 58.000 0.279 0.000 1.255 216 F CB -0.505 38.630 39.000 0.224 0.000 0.997 216 F HN 0.041 nan 8.300 nan 0.000 0.479 217 A N 0.014 123.118 122.820 0.473 0.000 1.940 217 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 217 A C 1.974 179.764 177.584 0.343 0.000 1.176 217 A CA 1.327 53.601 52.037 0.395 0.000 0.631 217 A CB -0.890 18.334 19.000 0.373 0.000 0.814 217 A HN 0.431 nan 8.150 nan 0.000 0.446 218 L N -1.267 120.154 121.223 0.330 0.000 2.592 218 L HA 0.220 4.559 4.340 -0.001 0.000 0.227 218 L C 1.581 178.570 176.870 0.198 0.000 1.127 218 L CA 0.413 55.406 54.840 0.255 0.000 0.884 218 L CB -0.321 41.825 42.059 0.146 0.000 1.065 218 L HN 0.576 nan 8.230 nan 0.000 0.457 219 G N 0.111 109.042 108.800 0.219 0.000 2.168 219 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.257 219 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.257 219 G C 0.807 175.778 174.900 0.118 0.000 0.997 219 G CA 0.510 45.705 45.100 0.158 0.000 0.708 219 G HN 0.187 nan 8.290 nan 0.000 0.520 220 V N -0.940 119.064 119.914 0.150 0.000 2.626 220 V HA 0.139 4.259 4.120 -0.001 0.000 0.252 220 V C 1.236 177.430 176.094 0.167 0.000 1.067 220 V CA 1.886 64.266 62.300 0.134 0.000 1.081 220 V CB -0.080 31.875 31.823 0.220 0.000 0.686 220 V HN 0.474 nan 8.190 nan 0.000 0.468 221 L N -0.361 120.964 121.223 0.170 0.000 2.356 221 L HA 0.511 4.851 4.340 -0.001 0.000 0.277 221 L C 0.072 177.147 176.870 0.342 0.000 0.996 221 L CA -0.040 54.933 54.840 0.222 0.000 0.822 221 L CB 1.812 43.776 42.059 -0.159 0.000 1.256 221 L HN -0.004 nan 8.230 nan 0.000 0.413 222 S N 6.158 122.120 115.700 0.437 0.000 2.533 222 S HA 0.326 4.795 4.470 -0.001 0.000 0.282 222 S C -1.548 173.317 174.600 0.442 0.000 1.304 222 S CA -0.806 57.581 58.200 0.312 0.000 1.063 222 S CB 0.715 64.058 63.200 0.239 0.000 0.881 222 S HN 0.644 nan 8.310 nan 0.000 0.493 223 P HA -0.062 nan 4.420 nan 0.000 0.220 223 P C 1.398 178.810 177.300 0.186 0.000 1.152 223 P CA 0.610 63.830 63.100 0.200 0.000 0.812 223 P CB 0.068 31.754 31.700 -0.022 0.000 0.792 224 R N 0.262 120.866 120.500 0.173 0.000 2.083 224 R HA -0.111 4.228 4.340 -0.001 0.000 0.237 224 R C 2.484 178.949 176.300 0.275 0.000 1.137 224 R CA 1.249 57.469 56.100 0.201 0.000 0.951 224 R CB -1.098 29.282 30.300 0.134 0.000 0.851 224 R HN 0.110 nan 8.270 nan 0.000 0.434 225 L N 0.328 121.713 121.223 0.271 0.000 2.012 225 L HA -0.137 4.202 4.340 -0.001 0.000 0.210 225 L C 2.418 179.514 176.870 0.378 0.000 1.073 225 L CA 1.836 56.855 54.840 0.299 0.000 0.748 225 L CB -0.432 41.789 42.059 0.269 0.000 0.891 225 L HN 0.360 nan 8.230 nan 0.000 0.431 226 A N -0.150 122.915 122.820 0.409 0.000 1.883 226 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 226 A C 2.444 180.321 177.584 0.489 0.000 1.186 226 A CA 1.901 54.245 52.037 0.511 0.000 0.624 226 A CB -1.126 18.288 19.000 0.690 0.000 0.822 226 A HN 0.601 nan 8.150 nan 0.000 0.444 227 A N -1.350 121.687 122.820 0.362 0.000 1.902 227 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 227 A C 2.113 179.909 177.584 0.353 0.000 1.181 227 A CA 1.428 53.657 52.037 0.321 0.000 0.623 227 A CB -0.905 18.245 19.000 0.250 0.000 0.818 227 A HN 0.878 nan 8.150 nan 0.000 0.443 228 W N 1.157 122.576 121.300 0.199 0.000 2.355 228 W HA -0.157 4.501 4.660 -0.002 0.000 0.309 228 W C 1.732 178.335 176.519 0.139 0.000 1.206 228 W CA 2.001 59.437 57.345 0.151 0.000 1.284 228 W CB -0.297 29.236 29.460 0.122 0.000 1.145 228 W HN 0.541 nan 8.180 nan 0.000 0.502 229 E N 0.367 120.749 120.200 0.304 0.000 2.072 229 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 229 E C 2.392 179.033 176.600 0.068 0.000 0.985 229 E CA 1.325 57.821 56.400 0.160 0.000 0.801 229 E CB -0.510 29.324 29.700 0.223 0.000 0.750 229 E HN 0.249 nan 8.360 nan 0.000 0.452 230 A N 1.612 124.539 122.820 0.178 0.000 1.933 230 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 230 A C 1.907 179.526 177.584 0.057 0.000 1.175 230 A CA 1.418 53.548 52.037 0.155 0.000 0.628 230 A CB -0.380 18.864 19.000 0.406 0.000 0.814 230 A HN 0.169 nan 8.150 nan 0.000 0.444 231 E N -0.660 119.551 120.200 0.018 0.000 2.208 231 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 231 E C 2.236 178.721 176.600 -0.192 0.000 0.988 231 E CA 0.594 56.951 56.400 -0.073 0.000 0.828 231 E CB -0.091 29.562 29.700 -0.078 0.000 0.763 231 E HN 0.464 nan 8.360 nan 0.000 0.478 232 R N 0.449 120.777 120.500 -0.286 0.000 2.115 232 R HA 0.033 4.372 4.340 -0.001 0.000 0.226 232 R C 2.264 178.479 176.300 -0.142 0.000 1.100 232 R CA 0.411 56.344 56.100 -0.277 0.000 0.980 232 R CB -0.068 30.035 30.300 -0.330 0.000 0.875 232 R HN 0.058 nan 8.270 nan 0.000 0.445 233 R N 0.508 120.947 120.500 -0.102 0.000 2.062 233 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 233 R C 1.183 177.443 176.300 -0.067 0.000 1.136 233 R CA 1.190 57.243 56.100 -0.078 0.000 0.948 233 R CB -0.735 29.516 30.300 -0.080 0.000 0.845 233 R HN 0.367 nan 8.270 nan 0.000 0.430 234 G N -0.793 107.977 108.800 -0.050 0.000 2.641 234 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.254 234 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.254 234 G C 0.253 175.140 174.900 -0.023 0.000 1.315 234 G CA 0.232 45.315 45.100 -0.029 0.000 0.907 234 G HN 0.844 nan 8.290 nan 0.000 0.572 235 G N -1.893 106.900 108.800 -0.012 0.000 2.728 235 G HA2 0.184 4.143 3.960 -0.001 0.000 0.294 235 G HA3 0.184 4.143 3.960 -0.001 0.000 0.294 235 G C 0.684 175.597 174.900 0.020 0.000 1.342 235 G CA 1.019 46.116 45.100 -0.005 0.000 0.866 235 G HN 1.813 nan 8.290 nan 0.000 0.534 236 E N -0.135 120.081 120.200 0.026 0.000 2.051 236 E HA -0.015 4.334 4.350 -0.001 0.000 0.189 236 E C 2.642 179.301 176.600 0.098 0.000 0.979 236 E CA 1.483 57.917 56.400 0.055 0.000 0.803 236 E CB -0.822 28.906 29.700 0.046 0.000 0.761 236 E HN 1.079 nan 8.360 nan 0.000 0.451 237 G N 1.098 109.955 108.800 0.095 0.000 2.550 237 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.222 237 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.222 237 G C 1.625 176.652 174.900 0.213 0.000 1.113 237 G CA 1.329 46.535 45.100 0.176 0.000 0.748 237 G HN 0.447 nan 8.290 nan 0.000 0.585 238 A N 0.592 123.490 122.820 0.131 0.000 1.873 238 A HA 0.016 4.335 4.320 -0.001 0.000 0.215 238 A C 2.491 180.208 177.584 0.221 0.000 1.186 238 A CA 1.510 53.639 52.037 0.154 0.000 0.616 238 A CB -0.334 18.715 19.000 0.082 0.000 0.823 238 A HN 0.332 nan 8.150 nan 0.000 0.442 239 R N -0.621 119.986 120.500 0.178 0.000 2.096 239 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 239 R C 2.184 178.615 176.300 0.218 0.000 1.127 239 R CA 1.598 57.804 56.100 0.177 0.000 0.968 239 R CB -0.294 30.085 30.300 0.133 0.000 0.861 239 R HN 0.437 nan 8.270 nan 0.000 0.440 240 K N 0.221 120.782 120.400 0.268 0.000 2.103 240 K HA -0.153 4.166 4.320 -0.001 0.000 0.204 240 K C 1.649 178.503 176.600 0.424 0.000 1.052 240 K CA 1.007 57.489 56.287 0.325 0.000 0.945 240 K CB -0.388 32.320 32.500 0.346 0.000 0.722 240 K HN 0.141 nan 8.250 nan 0.000 0.443 241 W N 0.090 121.501 121.300 0.184 0.000 2.388 241 W HA -0.099 4.561 4.660 -0.001 0.000 0.294 241 W C 1.540 178.054 176.519 -0.007 0.000 1.212 241 W CA 1.158 58.446 57.345 -0.096 0.000 1.271 241 W CB -0.169 29.143 29.460 -0.247 0.000 1.126 241 W HN -0.127 nan 8.180 nan 0.000 0.535 242 V N 0.888 120.905 119.914 0.172 0.000 2.548 242 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 242 V C 2.448 178.496 176.094 -0.077 0.000 1.055 242 V CA 1.769 64.065 62.300 -0.006 0.000 1.065 242 V CB -1.485 30.412 31.823 0.122 0.000 0.681 242 V HN 0.251 nan 8.190 nan 0.000 0.462 243 A N -0.096 122.760 122.820 0.061 0.000 1.940 243 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 243 A C 2.188 179.869 177.584 0.162 0.000 1.176 243 A CA 1.790 53.915 52.037 0.147 0.000 0.631 243 A CB -0.325 18.811 19.000 0.227 0.000 0.814 243 A HN 0.552 nan 8.150 nan 0.000 0.446 244 E N 0.196 120.414 120.200 0.030 0.000 2.072 244 E HA -0.087 4.263 4.350 -0.001 0.000 0.190 244 E C 2.103 178.598 176.600 -0.175 0.000 0.982 244 E CA 0.784 57.158 56.400 -0.044 0.000 0.803 244 E CB -0.580 29.048 29.700 -0.120 0.000 0.755 244 E HN 0.687 nan 8.360 nan 0.000 0.453 245 L N 0.658 121.628 121.223 -0.422 0.000 2.051 245 L HA -0.226 4.113 4.340 -0.001 0.000 0.214 245 L C 2.662 179.408 176.870 -0.207 0.000 1.076 245 L CA 1.167 55.735 54.840 -0.454 0.000 0.758 245 L CB -0.647 41.091 42.059 -0.535 0.000 0.890 245 L HN 0.114 nan 8.230 nan 0.000 0.433 246 L N -1.960 119.190 121.223 -0.121 0.000 2.141 246 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 246 L C 2.399 179.380 176.870 0.185 0.000 1.094 246 L CA 1.234 56.069 54.840 -0.009 0.000 0.763 246 L CB -0.384 41.634 42.059 -0.069 0.000 0.908 246 L HN 0.323 nan 8.230 nan 0.000 0.437 247 W N 0.126 121.462 121.300 0.059 0.000 2.350 247 W HA -0.197 4.462 4.660 -0.001 0.000 0.289 247 W C 2.822 179.323 176.519 -0.031 0.000 1.215 247 W CA 1.274 58.636 57.345 0.029 0.000 1.236 247 W CB -0.192 29.139 29.460 -0.214 0.000 1.130 247 W HN 0.056 nan 8.180 nan 0.000 0.541 248 R N 0.352 120.894 120.500 0.070 0.000 2.073 248 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 248 R C 1.664 177.837 176.300 -0.211 0.000 1.134 248 R CA 2.118 58.143 56.100 -0.124 0.000 0.952 248 R CB -0.514 29.706 30.300 -0.133 0.000 0.850 248 R HN 0.029 nan 8.270 nan 0.000 0.433 249 D N -0.305 120.139 120.400 0.073 0.000 2.144 249 D HA -0.159 4.480 4.640 -0.001 0.000 0.200 249 D C 1.508 177.905 176.300 0.161 0.000 0.978 249 D CA 0.777 54.928 54.000 0.252 0.000 0.833 249 D CB -0.264 40.744 40.800 0.347 0.000 0.961 249 D HN 0.152 nan 8.370 nan 0.000 0.470 250 F N 1.755 121.605 119.950 -0.167 0.000 2.161 250 F HA -0.199 4.327 4.527 -0.001 0.000 0.300 250 F C 2.302 177.911 175.800 -0.318 0.000 1.089 250 F CA 1.075 58.675 58.000 -0.666 0.000 1.282 250 F CB -0.346 38.273 39.000 -0.636 0.000 1.010 250 F HN -0.162 nan 8.300 nan 0.000 0.485 251 S N -0.495 115.047 115.700 -0.262 0.000 2.356 251 S HA -0.214 4.255 4.470 -0.001 0.000 0.223 251 S C 1.916 176.382 174.600 -0.223 0.000 1.032 251 S CA 1.577 59.586 58.200 -0.318 0.000 1.005 251 S CB -0.885 62.131 63.200 -0.308 0.000 0.867 251 S HN 0.557 nan 8.310 nan 0.000 0.449 252 Y N 0.734 121.044 120.300 0.017 0.000 2.181 252 Y HA -0.241 4.309 4.550 -0.001 0.000 0.288 252 Y C 2.651 178.571 175.900 0.033 0.000 1.146 252 Y CA 1.522 59.649 58.100 0.045 0.000 1.164 252 Y CB -0.616 37.886 38.460 0.069 0.000 0.982 252 Y HN 0.397 nan 8.280 nan 0.000 0.515 253 H N 0.405 119.500 119.070 0.042 0.000 2.319 253 H HA -0.197 4.358 4.556 -0.001 0.000 0.297 253 H C 1.971 177.330 175.328 0.052 0.000 1.097 253 H CA 2.151 58.226 56.048 0.046 0.000 1.285 253 H CB -0.431 29.199 29.762 -0.220 0.000 1.368 253 H HN 0.253 nan 8.280 nan 0.000 0.495 254 L N -0.720 120.395 121.223 -0.181 0.000 2.027 254 L HA -0.134 4.206 4.340 -0.001 0.000 0.206 254 L C 2.442 179.256 176.870 -0.094 0.000 1.074 254 L CA 0.954 55.697 54.840 -0.163 0.000 0.745 254 L CB -0.360 41.508 42.059 -0.320 0.000 0.898 254 L HN 0.320 nan 8.230 nan 0.000 0.433 255 L N -1.301 119.886 121.223 -0.059 0.000 2.141 255 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 255 L C 2.323 179.148 176.870 -0.076 0.000 1.094 255 L CA 1.610 56.426 54.840 -0.039 0.000 0.763 255 L CB -0.675 41.419 42.059 0.058 0.000 0.908 255 L HN 0.171 nan 8.230 nan 0.000 0.437 256 Y N -0.410 119.795 120.300 -0.159 0.000 2.145 256 Y HA -0.284 4.266 4.550 -0.001 0.000 0.286 256 Y C 2.475 178.081 175.900 -0.490 0.000 1.145 256 Y CA 2.257 60.194 58.100 -0.273 0.000 1.148 256 Y CB -0.219 38.066 38.460 -0.292 0.000 0.981 256 Y HN 0.393 nan 8.280 nan 0.000 0.507 257 H N -2.111 116.609 119.070 -0.584 0.000 2.502 257 H HA 0.124 4.679 4.556 -0.001 0.000 0.283 257 H C -0.203 174.474 175.328 -1.085 0.000 1.015 257 H CA 1.165 56.648 56.048 -0.941 0.000 1.298 257 H CB -0.124 28.844 29.762 -1.324 0.000 1.411 257 H HN 0.253 nan 8.280 nan 0.000 0.556 258 F N 0.169 119.889 119.950 -0.383 0.000 2.564 258 F HA 0.274 4.800 4.527 -0.001 0.000 0.329 258 F C -1.879 173.380 175.800 -0.902 0.000 1.458 258 F CA -1.890 55.612 58.000 -0.831 0.000 1.117 258 F CB 1.556 40.003 39.000 -0.922 0.000 1.383 258 F HN -0.015 nan 8.300 nan 0.000 0.571 259 P HA -0.167 nan 4.420 nan 0.000 0.222 259 P C 1.427 178.666 177.300 -0.101 0.000 1.147 259 P CA 1.293 64.269 63.100 -0.208 0.000 0.790 259 P CB -0.120 31.514 31.700 -0.110 0.000 0.780 260 W N 0.762 122.121 121.300 0.098 0.000 2.961 260 W HA 0.091 4.750 4.660 -0.001 0.000 0.240 260 W C 1.440 178.042 176.519 0.139 0.000 1.305 260 W CA 0.232 57.640 57.345 0.106 0.000 1.465 260 W CB -1.673 27.844 29.460 0.096 0.000 1.135 260 W HN 0.025 nan 8.180 nan 0.000 0.688 261 M N 0.647 120.169 119.600 -0.129 0.000 2.557 261 M HA 0.257 4.736 4.480 -0.001 0.000 0.259 261 M C 1.964 178.387 176.300 0.206 0.000 1.086 261 M CA 1.793 57.103 55.300 0.016 0.000 1.096 261 M CB -0.722 31.747 32.600 -0.219 0.000 1.424 261 M HN -0.105 nan 8.290 nan 0.000 0.488 262 A N 0.821 123.752 122.820 0.186 0.000 2.172 262 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 262 A C 2.072 179.818 177.584 0.270 0.000 1.154 262 A CA 1.619 53.795 52.037 0.231 0.000 0.701 262 A CB -0.541 18.537 19.000 0.130 0.000 0.789 262 A HN 0.745 nan 8.150 nan 0.000 0.465 263 E N -0.811 119.585 120.200 0.327 0.000 2.399 263 E HA 0.074 4.423 4.350 -0.001 0.000 0.205 263 E C 0.279 177.126 176.600 0.412 0.000 0.906 263 E CA -0.006 56.556 56.400 0.270 0.000 0.998 263 E CB 0.325 30.162 29.700 0.227 0.000 1.002 263 E HN 0.732 nan 8.360 nan 0.000 0.501 264 R N -0.407 120.444 120.500 0.585 0.000 2.690 264 R HA 0.423 4.763 4.340 -0.001 0.000 0.269 264 R C -3.150 173.412 176.300 0.438 0.000 1.037 264 R CA -1.953 54.501 56.100 0.591 0.000 0.877 264 R CB 0.523 31.065 30.300 0.403 0.000 1.255 264 R HN -0.267 nan 8.270 nan 0.000 0.467 265 P HA -0.043 nan 4.420 nan 0.000 0.265 265 P C 0.655 178.085 177.300 0.216 0.000 1.187 265 P CA -0.070 63.081 63.100 0.084 0.000 0.766 265 P CB 0.541 32.338 31.700 0.161 0.000 0.820 266 L N 1.253 122.522 121.223 0.077 0.000 2.042 266 L HA -0.133 4.206 4.340 -0.001 0.000 0.210 266 L C 1.005 177.969 176.870 0.156 0.000 1.076 266 L CA 1.459 56.362 54.840 0.104 0.000 0.749 266 L CB -0.296 41.675 42.059 -0.147 0.000 0.893 266 L HN 0.465 nan 8.230 nan 0.000 0.432 267 D N 0.155 120.616 120.400 0.101 0.000 2.338 267 D HA 0.028 4.667 4.640 -0.001 0.000 0.255 267 D C -1.517 174.907 176.300 0.207 0.000 1.237 267 D CA -2.155 51.939 54.000 0.156 0.000 0.883 267 D CB 1.211 42.129 40.800 0.197 0.000 1.087 267 D HN 0.049 nan 8.370 nan 0.000 0.485 268 P HA -0.118 nan 4.420 nan 0.000 0.222 268 P C 0.831 178.171 177.300 0.067 0.000 1.147 268 P CA 0.627 63.776 63.100 0.081 0.000 0.790 268 P CB 0.403 32.110 31.700 0.012 0.000 0.780 269 R N -1.151 119.393 120.500 0.073 0.000 2.193 269 R HA -0.010 4.329 4.340 -0.001 0.000 0.229 269 R C 1.641 177.823 176.300 -0.197 0.000 1.110 269 R CA 1.041 57.099 56.100 -0.070 0.000 0.988 269 R CB -1.179 29.055 30.300 -0.110 0.000 0.871 269 R HN 0.245 nan 8.270 nan 0.000 0.458 270 F N 0.291 120.269 119.950 0.046 0.000 2.727 270 F HA 0.164 4.691 4.527 -0.001 0.000 0.302 270 F C 1.484 177.381 175.800 0.160 0.000 1.097 270 F CA 0.027 58.093 58.000 0.112 0.000 1.330 270 F CB 0.230 39.307 39.000 0.128 0.000 1.084 270 F HN -0.036 nan 8.300 nan 0.000 0.578 271 Q N -0.010 119.920 119.800 0.217 0.000 2.369 271 Q HA 0.034 4.373 4.340 -0.001 0.000 0.206 271 Q C 1.724 177.817 176.000 0.155 0.000 0.963 271 Q CA 0.943 56.880 55.803 0.223 0.000 0.894 271 Q CB 0.008 28.837 28.738 0.152 0.000 0.965 271 Q HN 0.326 nan 8.270 nan 0.000 0.475 272 A N -0.126 122.719 122.820 0.043 0.000 2.545 272 A HA 0.182 4.502 4.320 -0.001 0.000 0.277 272 A C -0.283 177.203 177.584 -0.163 0.000 1.301 272 A CA -0.592 51.415 52.037 -0.049 0.000 0.935 272 A CB -0.191 18.747 19.000 -0.103 0.000 1.093 272 A HN 0.284 nan 8.150 nan 0.000 0.519 273 F N 2.241 122.007 119.950 -0.308 0.000 2.578 273 F HA 0.275 4.801 4.527 -0.001 0.000 0.376 273 F C -1.681 173.640 175.800 -0.799 0.000 1.085 273 F CA -1.595 56.012 58.000 -0.654 0.000 1.260 273 F CB 0.988 39.413 39.000 -0.959 0.000 1.095 273 F HN 0.111 nan 8.300 nan 0.000 0.573 274 P HA 0.030 nan 4.420 nan 0.000 0.238 274 P C -1.085 176.139 177.300 -0.126 0.000 1.794 274 P CA -0.167 62.702 63.100 -0.385 0.000 1.088 274 P CB -0.526 30.946 31.700 -0.380 0.000 1.923 275 W N 1.561 123.060 121.300 0.332 0.000 2.123 275 W HA 0.163 4.822 4.660 -0.001 0.000 0.351 275 W C 0.824 177.437 176.519 0.157 0.000 1.292 275 W CA -0.451 57.066 57.345 0.287 0.000 1.263 275 W CB 0.344 29.942 29.460 0.229 0.000 1.165 275 W HN 0.248 nan 8.180 nan 0.000 0.590 276 Q N 1.636 121.684 119.800 0.414 0.000 2.464 276 Q HA 0.119 4.458 4.340 -0.001 0.000 0.256 276 Q C -0.655 175.462 176.000 0.195 0.000 1.020 276 Q CA -0.852 55.094 55.803 0.239 0.000 0.716 276 Q CB 1.607 30.465 28.738 0.199 0.000 1.230 276 Q HN 0.279 nan 8.270 nan 0.000 0.494 277 E N 2.128 122.417 120.200 0.149 0.000 2.398 277 E HA 0.099 4.449 4.350 -0.001 0.000 0.263 277 E C -0.932 175.731 176.600 0.104 0.000 1.046 277 E CA 0.549 57.010 56.400 0.101 0.000 0.908 277 E CB 0.614 30.343 29.700 0.049 0.000 0.963 277 E HN 0.414 nan 8.360 nan 0.000 0.431 278 D N 3.110 123.580 120.400 0.116 0.000 2.192 278 D HA -0.008 4.631 4.640 -0.001 0.000 0.200 278 D C 0.114 176.520 176.300 0.176 0.000 1.281 278 D CA -0.295 53.785 54.000 0.134 0.000 0.895 278 D CB 0.391 41.280 40.800 0.147 0.000 1.643 278 D HN 0.435 nan 8.370 nan 0.000 0.510 279 E N 2.857 123.145 120.200 0.146 0.000 2.058 279 E HA -0.087 4.262 4.350 -0.001 0.000 0.194 279 E C 1.794 178.535 176.600 0.235 0.000 0.997 279 E CA 2.158 58.664 56.400 0.178 0.000 0.801 279 E CB -0.106 29.662 29.700 0.113 0.000 0.746 279 E HN 0.511 nan 8.360 nan 0.000 0.450 280 A N 0.666 123.593 122.820 0.179 0.000 1.883 280 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 280 A C 2.465 180.170 177.584 0.203 0.000 1.186 280 A CA 1.622 53.761 52.037 0.171 0.000 0.624 280 A CB -0.927 18.152 19.000 0.132 0.000 0.822 280 A HN 0.374 nan 8.150 nan 0.000 0.444 281 L N -2.106 119.245 121.223 0.214 0.000 2.046 281 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 281 L C 2.489 179.536 176.870 0.294 0.000 1.077 281 L CA 1.708 56.691 54.840 0.238 0.000 0.747 281 L CB -0.448 41.741 42.059 0.216 0.000 0.896 281 L HN 0.539 nan 8.230 nan 0.000 0.432 282 F N 0.655 120.736 119.950 0.220 0.000 2.091 282 F HA -0.316 4.211 4.527 -0.001 0.000 0.299 282 F C 2.688 178.725 175.800 0.396 0.000 1.103 282 F CA 1.706 59.877 58.000 0.284 0.000 1.228 282 F CB -0.181 38.919 39.000 0.167 0.000 0.984 282 F HN 0.105 nan 8.300 nan 0.000 0.477 283 Q N 0.329 120.279 119.800 0.249 0.000 2.119 283 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 283 Q C 2.537 178.623 176.000 0.143 0.000 0.972 283 Q CA 1.359 57.282 55.803 0.200 0.000 0.847 283 Q CB -1.060 27.817 28.738 0.231 0.000 0.903 283 Q HN 0.545 nan 8.270 nan 0.000 0.433 284 A N -0.049 122.870 122.820 0.166 0.000 1.902 284 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 284 A C 1.895 179.570 177.584 0.151 0.000 1.181 284 A CA 1.444 53.570 52.037 0.149 0.000 0.623 284 A CB -1.012 18.098 19.000 0.183 0.000 0.818 284 A HN 0.546 nan 8.150 nan 0.000 0.443 285 W N -0.746 120.578 121.300 0.039 0.000 2.378 285 W HA -0.198 4.461 4.660 -0.001 0.000 0.313 285 W C 2.034 178.562 176.519 0.014 0.000 1.197 285 W CA 1.875 59.251 57.345 0.053 0.000 1.304 285 W CB -0.774 28.734 29.460 0.080 0.000 1.148 285 W HN 0.428 nan 8.180 nan 0.000 0.494 286 Y N 1.698 121.801 120.300 -0.328 0.000 2.207 286 Y HA -0.209 4.340 4.550 -0.001 0.000 0.287 286 Y C 1.905 177.651 175.900 -0.257 0.000 1.156 286 Y CA 2.431 60.220 58.100 -0.518 0.000 1.182 286 Y CB -0.381 37.846 38.460 -0.388 0.000 0.979 286 Y HN -0.028 nan 8.280 nan 0.000 0.521 287 E N -0.157 119.904 120.200 -0.233 0.000 2.444 287 E HA 0.166 4.516 4.350 -0.001 0.000 0.191 287 E C 1.149 177.589 176.600 -0.267 0.000 1.041 287 E CA 0.616 56.814 56.400 -0.336 0.000 0.883 287 E CB -0.320 29.268 29.700 -0.186 0.000 1.024 287 E HN 0.517 nan 8.360 nan 0.000 0.470 288 G N 2.936 111.583 108.800 -0.255 0.000 2.338 288 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.296 288 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.296 288 G C 0.279 175.139 174.900 -0.067 0.000 1.040 288 G CA 0.272 45.268 45.100 -0.173 0.000 1.004 288 G HN 0.042 nan 8.290 nan 0.000 0.509 289 K N 0.309 120.697 120.400 -0.020 0.000 3.045 289 K HA 0.204 4.523 4.320 -0.001 0.000 0.211 289 K C 1.729 178.379 176.600 0.083 0.000 1.141 289 K CA 0.473 56.783 56.287 0.038 0.000 1.036 289 K CB 0.356 32.873 32.500 0.029 0.000 0.851 289 K HN 0.559 nan 8.250 nan 0.000 0.462 290 T N -3.120 111.477 114.554 0.072 0.000 3.043 290 T HA 0.045 4.395 4.350 -0.001 0.000 0.263 290 T C 1.449 176.201 174.700 0.086 0.000 1.094 290 T CA 1.019 63.183 62.100 0.107 0.000 1.127 290 T CB 0.016 68.918 68.868 0.055 0.000 0.905 290 T HN 0.425 nan 8.240 nan 0.000 0.490 291 G N 0.511 109.356 108.800 0.074 0.000 2.159 291 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.256 291 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.256 291 G C 0.040 174.852 174.900 -0.148 0.000 0.977 291 G CA 0.019 45.166 45.100 0.078 0.000 0.652 291 G HN 0.765 nan 8.290 nan 0.000 0.531 292 V N 1.239 121.001 119.914 -0.253 0.000 2.311 292 V HA 0.307 4.427 4.120 -0.001 0.000 0.275 292 V C -0.427 175.382 176.094 -0.476 0.000 1.022 292 V CA -0.903 61.176 62.300 -0.369 0.000 0.830 292 V CB 1.645 33.175 31.823 -0.488 0.000 1.012 292 V HN 0.010 nan 8.190 nan 0.000 0.452 293 P HA -0.196 nan 4.420 nan 0.000 0.215 293 P C 1.842 179.039 177.300 -0.172 0.000 1.163 293 P CA 1.066 63.755 63.100 -0.685 0.000 0.894 293 P CB 0.200 31.555 31.700 -0.575 0.000 0.791 294 L N -0.200 121.086 121.223 0.105 0.000 2.012 294 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 294 L C 2.148 179.089 176.870 0.117 0.000 1.073 294 L CA 2.071 57.104 54.840 0.323 0.000 0.748 294 L CB -1.497 40.696 42.059 0.223 0.000 0.891 294 L HN -0.151 nan 8.230 nan 0.000 0.431 295 V N 0.151 120.000 119.914 -0.109 0.000 2.358 295 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 295 V C 2.333 178.358 176.094 -0.114 0.000 1.047 295 V CA 1.835 64.041 62.300 -0.156 0.000 1.035 295 V CB -0.739 30.807 31.823 -0.462 0.000 0.658 295 V HN 0.398 nan 8.190 nan 0.000 0.452 296 D N 0.356 120.676 120.400 -0.133 0.000 2.117 296 D HA -0.059 4.580 4.640 -0.001 0.000 0.198 296 D C 2.245 178.501 176.300 -0.073 0.000 0.982 296 D CA 1.504 55.457 54.000 -0.079 0.000 0.828 296 D CB -0.358 40.455 40.800 0.023 0.000 0.967 296 D HN 0.402 nan 8.370 nan 0.000 0.464 297 A N 1.143 123.907 122.820 -0.093 0.000 1.883 297 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 297 A C 2.317 179.751 177.584 -0.251 0.000 1.186 297 A CA 2.471 54.356 52.037 -0.253 0.000 0.624 297 A CB -0.900 17.752 19.000 -0.580 0.000 0.822 297 A HN 0.235 nan 8.150 nan 0.000 0.444 298 A N -0.948 121.878 122.820 0.010 0.000 1.883 298 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 298 A C 2.181 179.696 177.584 -0.115 0.000 1.186 298 A CA 2.165 54.269 52.037 0.112 0.000 0.624 298 A CB -0.484 18.628 19.000 0.187 0.000 0.822 298 A HN 0.439 nan 8.150 nan 0.000 0.444 299 M N -0.926 118.583 119.600 -0.151 0.000 2.254 299 M HA -0.010 4.469 4.480 -0.001 0.000 0.265 299 M C 2.138 178.333 176.300 -0.175 0.000 1.066 299 M CA 1.167 56.325 55.300 -0.236 0.000 1.123 299 M CB -1.095 31.290 32.600 -0.358 0.000 1.388 299 M HN 0.410 nan 8.290 nan 0.000 0.425 300 R N 0.015 120.418 120.500 -0.161 0.000 2.073 300 R HA -0.126 4.214 4.340 -0.001 0.000 0.229 300 R C 2.154 178.312 176.300 -0.237 0.000 1.120 300 R CA 1.287 57.319 56.100 -0.114 0.000 0.967 300 R CB -0.242 30.034 30.300 -0.039 0.000 0.862 300 R HN 0.480 nan 8.270 nan 0.000 0.436 301 E N 0.921 120.794 120.200 -0.545 0.000 2.051 301 E HA -0.228 4.121 4.350 -0.001 0.000 0.192 301 E C 1.909 178.131 176.600 -0.629 0.000 0.991 301 E CA 1.047 56.759 56.400 -1.147 0.000 0.799 301 E CB -0.006 28.777 29.700 -1.528 0.000 0.748 301 E HN 0.112 nan 8.360 nan 0.000 0.449 302 L N 1.317 122.273 121.223 -0.446 0.000 2.012 302 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 302 L C 2.293 178.932 176.870 -0.386 0.000 1.073 302 L CA 1.999 56.588 54.840 -0.418 0.000 0.748 302 L CB -0.812 40.943 42.059 -0.506 0.000 0.891 302 L HN 0.290 nan 8.230 nan 0.000 0.431 303 H N -0.623 118.257 119.070 -0.316 0.000 2.352 303 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 303 H C 2.006 177.240 175.328 -0.156 0.000 1.097 303 H CA 1.707 57.610 56.048 -0.241 0.000 1.311 303 H CB -0.092 29.520 29.762 -0.250 0.000 1.377 303 H HN 0.529 nan 8.280 nan 0.000 0.504 304 A N 0.011 122.806 122.820 -0.042 0.000 2.021 304 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 304 A C 2.399 179.980 177.584 -0.005 0.000 1.163 304 A CA 1.713 53.762 52.037 0.021 0.000 0.676 304 A CB -0.167 18.924 19.000 0.153 0.000 0.818 304 A HN 0.564 nan 8.150 nan 0.000 0.453 305 T N -6.617 107.879 114.554 -0.096 0.000 2.964 305 T HA 0.417 4.766 4.350 -0.001 0.000 0.250 305 T C 1.422 176.070 174.700 -0.087 0.000 0.982 305 T CA 1.147 63.210 62.100 -0.061 0.000 0.959 305 T CB 0.201 69.040 68.868 -0.048 0.000 1.141 305 T HN 1.660 nan 8.240 nan 0.000 0.494 306 G N 1.273 109.993 108.800 -0.134 0.000 2.148 306 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.254 306 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.254 306 G C -0.168 174.687 174.900 -0.075 0.000 0.981 306 G CA 0.354 45.370 45.100 -0.140 0.000 0.670 306 G HN 0.816 nan 8.290 nan 0.000 0.528 307 F N -0.827 118.978 119.950 -0.241 0.000 2.613 307 F HA 0.817 5.344 4.527 -0.001 0.000 0.310 307 F C -1.332 174.351 175.800 -0.195 0.000 1.085 307 F CA -1.449 56.432 58.000 -0.198 0.000 0.945 307 F CB 1.708 40.614 39.000 -0.157 0.000 1.298 307 F HN 0.113 nan 8.300 nan 0.000 0.455 308 L N 2.873 123.518 121.223 -0.964 0.000 2.506 308 L HA 0.459 4.798 4.340 -0.001 0.000 0.257 308 L C -0.695 175.658 176.870 -0.862 0.000 0.964 308 L CA -0.566 53.908 54.840 -0.610 0.000 0.836 308 L CB 2.268 44.106 42.059 -0.368 0.000 1.384 308 L HN 0.734 nan 8.230 nan 0.000 0.410 309 S N 1.347 116.796 115.700 -0.418 0.000 2.584 309 S HA 0.106 4.575 4.470 -0.001 0.000 0.270 309 S C 0.971 175.379 174.600 -0.320 0.000 1.346 309 S CA 0.287 58.302 58.200 -0.308 0.000 1.018 309 S CB 0.483 63.543 63.200 -0.234 0.000 0.899 309 S HN 0.688 nan 8.310 nan 0.000 0.542 310 N N 1.339 119.880 118.700 -0.265 0.000 2.061 310 N HA -0.197 4.542 4.740 -0.001 0.000 0.193 310 N C 1.830 177.161 175.510 -0.299 0.000 1.030 310 N CA 1.733 54.622 53.050 -0.268 0.000 0.856 310 N CB -0.425 37.900 38.487 -0.269 0.000 1.023 310 N HN 0.724 nan 8.380 nan 0.000 0.424 311 R N 0.322 120.613 120.500 -0.349 0.000 2.092 311 R HA 0.128 4.467 4.340 -0.001 0.000 0.231 311 R C 1.853 177.899 176.300 -0.423 0.000 1.119 311 R CA 1.581 57.419 56.100 -0.437 0.000 0.970 311 R CB -0.877 29.096 30.300 -0.545 0.000 0.864 311 R HN 0.270 nan 8.270 nan 0.000 0.440 312 A N 0.352 122.946 122.820 -0.376 0.000 1.929 312 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 312 A C 2.159 179.662 177.584 -0.136 0.000 1.176 312 A CA 1.248 53.126 52.037 -0.266 0.000 0.628 312 A CB -0.372 18.499 19.000 -0.216 0.000 0.816 312 A HN 0.342 nan 8.150 nan 0.000 0.444 313 R N -0.401 120.026 120.500 -0.123 0.000 2.073 313 R HA -0.163 4.177 4.340 -0.001 0.000 0.234 313 R C 2.479 178.676 176.300 -0.172 0.000 1.134 313 R CA 1.913 58.011 56.100 -0.003 0.000 0.952 313 R CB -0.575 29.728 30.300 0.005 0.000 0.850 313 R HN 0.836 nan 8.270 nan 0.000 0.433 314 M N -0.058 119.429 119.600 -0.189 0.000 2.159 314 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 314 M C 1.490 177.721 176.300 -0.114 0.000 1.063 314 M CA 1.751 56.991 55.300 -0.101 0.000 1.110 314 M CB -0.433 32.244 32.600 0.129 0.000 1.374 314 M HN -0.014 nan 8.290 nan 0.000 0.411 315 N N 1.308 119.819 118.700 -0.315 0.000 2.084 315 N HA -0.074 4.665 4.740 -0.001 0.000 0.190 315 N C 2.024 177.542 175.510 0.014 0.000 1.030 315 N CA 1.900 54.809 53.050 -0.234 0.000 0.849 315 N CB -0.241 38.039 38.487 -0.345 0.000 1.012 315 N HN 0.554 nan 8.380 nan 0.000 0.423 316 A N 1.146 123.980 122.820 0.023 0.000 1.902 316 A HA 0.017 4.337 4.320 -0.001 0.000 0.217 316 A C 2.372 180.101 177.584 0.241 0.000 1.181 316 A CA 1.849 54.019 52.037 0.221 0.000 0.623 316 A CB -0.646 18.527 19.000 0.288 0.000 0.818 316 A HN 0.350 nan 8.150 nan 0.000 0.443 317 A N -0.981 121.671 122.820 -0.280 0.000 1.872 317 A HA -0.176 4.143 4.320 -0.001 0.000 0.214 317 A C 2.213 179.472 177.584 -0.541 0.000 1.187 317 A CA 1.668 53.110 52.037 -0.993 0.000 0.614 317 A CB -0.613 17.198 19.000 -1.982 0.000 0.826 317 A HN 0.619 nan 8.150 nan 0.000 0.442 318 Q N -1.716 117.922 119.800 -0.269 0.000 2.124 318 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 318 Q C 1.826 177.819 176.000 -0.013 0.000 0.977 318 Q CA 1.669 57.384 55.803 -0.146 0.000 0.850 318 Q CB -0.248 28.485 28.738 -0.009 0.000 0.901 318 Q HN 0.638 nan 8.270 nan 0.000 0.429 319 F N 0.717 120.676 119.950 0.014 0.000 2.095 319 F HA -0.230 4.296 4.527 -0.001 0.000 0.298 319 F C 2.108 177.920 175.800 0.019 0.000 1.104 319 F CA 1.613 59.678 58.000 0.107 0.000 1.232 319 F CB -0.500 38.581 39.000 0.136 0.000 0.987 319 F HN 0.165 nan 8.300 nan 0.000 0.475 320 A N -0.370 122.440 122.820 -0.018 0.000 1.865 320 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 320 A C 2.312 179.756 177.584 -0.234 0.000 1.191 320 A CA 2.301 54.132 52.037 -0.345 0.000 0.623 320 A CB -1.373 17.102 19.000 -0.875 0.000 0.826 320 A HN 0.269 nan 8.150 nan 0.000 0.444 321 V N -0.287 119.502 119.914 -0.208 0.000 2.283 321 V HA -0.195 3.924 4.120 -0.001 0.000 0.243 321 V C 2.472 178.460 176.094 -0.177 0.000 1.039 321 V CA 2.340 64.486 62.300 -0.257 0.000 1.016 321 V CB -0.557 31.091 31.823 -0.293 0.000 0.650 321 V HN 0.534 nan 8.190 nan 0.000 0.449 322 K N -1.068 119.145 120.400 -0.312 0.000 2.099 322 K HA 0.020 4.339 4.320 -0.001 0.000 0.203 322 K C 2.163 178.545 176.600 -0.362 0.000 1.047 322 K CA 1.025 56.981 56.287 -0.551 0.000 0.963 322 K CB -0.168 31.739 32.500 -0.988 0.000 0.759 322 K HN 0.479 nan 8.250 nan 0.000 0.451 323 H N 0.284 119.104 119.070 -0.417 0.000 2.436 323 H HA 0.111 4.666 4.556 -0.001 0.000 0.294 323 H C 1.640 176.754 175.328 -0.357 0.000 1.048 323 H CA 0.951 56.705 56.048 -0.490 0.000 1.353 323 H CB 0.332 29.431 29.762 -1.105 0.000 1.414 323 H HN -0.010 nan 8.280 nan 0.000 0.536 324 L N -0.506 120.597 121.223 -0.200 0.000 2.609 324 L HA 0.142 4.481 4.340 -0.001 0.000 0.230 324 L C 0.336 177.262 176.870 0.094 0.000 1.087 324 L CA 0.115 54.928 54.840 -0.043 0.000 0.874 324 L CB 0.648 42.687 42.059 -0.033 0.000 1.114 324 L HN 0.245 nan 8.230 nan 0.000 0.488 325 L N 0.369 121.681 121.223 0.150 0.000 4.040 325 L HA -0.241 4.098 4.340 -0.001 0.000 0.410 325 L C 0.055 177.132 176.870 0.346 0.000 1.187 325 L CA 0.156 55.244 54.840 0.414 0.000 0.956 325 L CB -1.753 40.587 42.059 0.468 0.000 2.022 325 L HN 0.217 nan 8.230 nan 0.000 0.897 326 L N 1.072 122.344 121.223 0.082 0.000 2.416 326 L HA 0.236 4.575 4.340 -0.001 0.000 0.272 326 L C -1.501 175.273 176.870 -0.159 0.000 1.161 326 L CA -1.603 53.251 54.840 0.022 0.000 0.845 326 L CB 0.269 42.316 42.059 -0.019 0.000 1.119 326 L HN -0.207 nan 8.230 nan 0.000 0.464 327 P HA -0.144 nan 4.420 nan 0.000 0.258 327 P C 0.443 177.455 177.300 -0.480 0.000 1.172 327 P CA 0.144 63.037 63.100 -0.346 0.000 0.762 327 P CB 0.200 31.777 31.700 -0.204 0.000 0.764 328 W N 4.829 125.725 121.300 -0.673 0.000 2.402 328 W HA -0.079 4.580 4.660 -0.001 0.000 0.286 328 W C 0.979 177.184 176.519 -0.524 0.000 1.221 328 W CA 0.756 57.761 57.345 -0.566 0.000 1.257 328 W CB -1.157 28.014 29.460 -0.482 0.000 1.120 328 W HN 0.242 nan 8.180 nan 0.000 0.551 329 K N 0.831 120.493 120.400 -1.229 0.000 2.002 329 K HA -0.175 4.145 4.320 -0.001 0.000 0.209 329 K C 2.507 178.724 176.600 -0.639 0.000 1.048 329 K CA 2.138 57.761 56.287 -1.107 0.000 0.930 329 K CB -0.452 31.415 32.500 -1.055 0.000 0.714 329 K HN -0.075 nan 8.250 nan 0.000 0.438 330 R N 0.284 120.465 120.500 -0.532 0.000 2.094 330 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 330 R C 2.219 178.357 176.300 -0.270 0.000 1.137 330 R CA 2.134 57.983 56.100 -0.419 0.000 0.943 330 R CB -0.573 29.418 30.300 -0.516 0.000 0.850 330 R HN 0.323 nan 8.270 nan 0.000 0.433 331 C N 0.723 119.865 119.300 -0.264 0.000 2.413 331 C HA -0.083 4.376 4.460 -0.001 0.000 0.276 331 C C 2.652 177.287 174.990 -0.592 0.000 1.236 331 C CA 0.716 59.590 59.018 -0.240 0.000 1.735 331 C CB -0.928 26.392 27.740 -0.699 0.000 2.031 331 C HN 0.607 nan 8.230 nan 0.000 0.474 332 E N 1.173 120.706 120.200 -1.112 0.000 2.058 332 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 332 E C 2.082 178.430 176.600 -0.419 0.000 0.997 332 E CA 1.605 57.289 56.400 -1.192 0.000 0.801 332 E CB -0.428 28.834 29.700 -0.729 0.000 0.746 332 E HN 0.732 nan 8.360 nan 0.000 0.450 333 E N -0.357 119.634 120.200 -0.348 0.000 2.072 333 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 333 E C 1.986 178.370 176.600 -0.361 0.000 0.985 333 E CA 0.904 57.091 56.400 -0.356 0.000 0.801 333 E CB -0.110 29.373 29.700 -0.361 0.000 0.750 333 E HN 0.289 nan 8.360 nan 0.000 0.452 334 A N 0.467 123.253 122.820 -0.055 0.000 1.933 334 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 334 A C 1.939 179.751 177.584 0.381 0.000 1.175 334 A CA 1.086 53.258 52.037 0.226 0.000 0.628 334 A CB -0.793 18.502 19.000 0.491 0.000 0.814 334 A HN 0.429 nan 8.150 nan 0.000 0.444 335 F N 0.197 120.295 119.950 0.246 0.000 2.102 335 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 335 F C 2.440 178.344 175.800 0.173 0.000 1.105 335 F CA 2.027 60.205 58.000 0.297 0.000 1.239 335 F CB -0.215 39.129 39.000 0.575 0.000 0.991 335 F HN 0.206 nan 8.300 nan 0.000 0.474 336 R N -0.670 119.999 120.500 0.280 0.000 2.091 336 R HA -0.197 4.142 4.340 -0.001 0.000 0.238 336 R C 2.165 178.575 176.300 0.184 0.000 1.136 336 R CA 2.102 58.315 56.100 0.188 0.000 0.959 336 R CB -0.688 29.685 30.300 0.123 0.000 0.856 336 R HN 0.470 nan 8.270 nan 0.000 0.437 337 H N -0.466 118.668 119.070 0.107 0.000 2.489 337 H HA -0.071 4.484 4.556 -0.001 0.000 0.293 337 H C 1.765 177.109 175.328 0.026 0.000 1.066 337 H CA 0.944 57.037 56.048 0.075 0.000 1.305 337 H CB 0.156 29.976 29.762 0.096 0.000 1.386 337 H HN 0.235 nan 8.280 nan 0.000 0.551 338 L N 0.624 121.893 121.223 0.075 0.000 2.446 338 L HA 0.077 4.416 4.340 -0.001 0.000 0.219 338 L C 0.136 176.919 176.870 -0.145 0.000 1.116 338 L CA 0.063 54.839 54.840 -0.106 0.000 0.844 338 L CB 0.302 42.166 42.059 -0.325 0.000 0.970 338 L HN 0.139 nan 8.230 nan 0.000 0.457 339 L N 0.240 121.406 121.223 -0.095 0.000 2.276 339 L HA 0.162 4.501 4.340 -0.001 0.000 0.286 339 L C 1.165 178.022 176.870 -0.021 0.000 1.061 339 L CA -0.390 54.392 54.840 -0.097 0.000 0.807 339 L CB 1.704 43.721 42.059 -0.070 0.000 1.177 339 L HN 0.083 nan 8.230 nan 0.000 0.429 340 L N 1.712 122.885 121.223 -0.083 0.000 2.083 340 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 340 L C 1.411 178.291 176.870 0.016 0.000 1.083 340 L CA 1.199 55.955 54.840 -0.139 0.000 0.752 340 L CB -0.424 41.318 42.059 -0.528 0.000 0.899 340 L HN 0.803 nan 8.230 nan 0.000 0.433 341 D N -0.343 120.089 120.400 0.054 0.000 2.325 341 D HA 0.041 4.680 4.640 -0.001 0.000 0.225 341 D C 1.024 177.439 176.300 0.192 0.000 1.096 341 D CA -0.136 53.967 54.000 0.172 0.000 0.844 341 D CB -0.372 40.539 40.800 0.185 0.000 0.925 341 D HN 0.075 nan 8.370 nan 0.000 0.513 342 G N 0.546 109.445 108.800 0.165 0.000 2.272 342 G HA2 0.258 4.218 3.960 -0.001 0.000 0.247 342 G HA3 0.258 4.218 3.960 -0.001 0.000 0.247 342 G C -0.581 174.448 174.900 0.216 0.000 1.272 342 G CA -0.169 45.040 45.100 0.182 0.000 0.921 342 G HN 0.231 nan 8.290 nan 0.000 0.495 343 D N 1.877 122.411 120.400 0.223 0.000 2.616 343 D HA 0.136 4.775 4.640 -0.001 0.000 0.238 343 D C 1.130 177.568 176.300 0.231 0.000 1.354 343 D CA -0.754 53.394 54.000 0.247 0.000 0.970 343 D CB 1.364 42.333 40.800 0.281 0.000 1.369 343 D HN 0.351 nan 8.370 nan 0.000 0.585 344 R N 2.765 123.396 120.500 0.218 0.000 2.094 344 R HA -0.174 4.165 4.340 -0.001 0.000 0.239 344 R C 1.857 178.268 176.300 0.185 0.000 1.137 344 R CA 2.292 58.503 56.100 0.185 0.000 0.943 344 R CB -0.043 30.354 30.300 0.162 0.000 0.850 344 R HN 0.457 nan 8.270 nan 0.000 0.433 345 A N -0.166 122.782 122.820 0.215 0.000 1.902 345 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 345 A C 2.254 179.882 177.584 0.074 0.000 1.181 345 A CA 1.666 53.801 52.037 0.162 0.000 0.623 345 A CB -0.426 18.734 19.000 0.266 0.000 0.818 345 A HN 0.246 nan 8.150 nan 0.000 0.443 346 V N 0.474 120.426 119.914 0.063 0.000 2.379 346 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 346 V C 2.377 178.539 176.094 0.113 0.000 1.044 346 V CA 2.183 64.491 62.300 0.014 0.000 1.036 346 V CB -1.091 30.734 31.823 0.002 0.000 0.664 346 V HN 0.707 nan 8.190 nan 0.000 0.453 347 N N 0.091 118.908 118.700 0.195 0.000 2.120 347 N HA -0.150 4.590 4.740 -0.001 0.000 0.188 347 N C 1.627 177.354 175.510 0.360 0.000 1.024 347 N CA 1.099 54.342 53.050 0.321 0.000 0.852 347 N CB -0.224 38.474 38.487 0.351 0.000 1.003 347 N HN 0.210 nan 8.380 nan 0.000 0.424 348 L N 1.325 122.695 121.223 0.245 0.000 2.017 348 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 348 L C 2.410 179.376 176.870 0.160 0.000 1.073 348 L CA 1.581 56.556 54.840 0.225 0.000 0.745 348 L CB -1.581 40.576 42.059 0.163 0.000 0.894 348 L HN 0.412 nan 8.230 nan 0.000 0.432 349 Q N -0.265 119.594 119.800 0.100 0.000 2.045 349 Q HA -0.196 4.144 4.340 -0.001 0.000 0.206 349 Q C 2.012 178.092 176.000 0.135 0.000 0.991 349 Q CA 2.246 58.093 55.803 0.072 0.000 0.851 349 Q CB -0.535 28.219 28.738 0.027 0.000 0.911 349 Q HN 0.516 nan 8.270 nan 0.000 0.418 350 G N -0.483 108.390 108.800 0.122 0.000 2.440 350 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 350 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 350 G C 1.076 175.996 174.900 0.033 0.000 1.154 350 G CA 0.755 45.890 45.100 0.058 0.000 0.767 350 G HN 0.454 nan 8.290 nan 0.000 0.552 351 W N 0.827 122.124 121.300 -0.006 0.000 2.379 351 W HA 0.032 4.692 4.660 -0.001 0.000 0.307 351 W C 3.084 179.499 176.519 -0.172 0.000 1.200 351 W CA 1.276 58.571 57.345 -0.083 0.000 1.297 351 W CB -0.129 29.311 29.460 -0.033 0.000 1.140 351 W HN 0.213 nan 8.180 nan 0.000 0.507 352 Q N -1.723 118.084 119.800 0.011 0.000 2.291 352 Q HA -0.213 4.127 4.340 -0.001 0.000 0.205 352 Q C 1.871 177.805 176.000 -0.109 0.000 0.970 352 Q CA 1.436 57.128 55.803 -0.186 0.000 0.876 352 Q CB -0.570 28.024 28.738 -0.239 0.000 0.935 352 Q HN 0.467 nan 8.270 nan 0.000 0.455 353 W N 0.892 122.100 121.300 -0.154 0.000 2.452 353 W HA -0.040 4.620 4.660 -0.001 0.000 0.313 353 W C 2.296 178.690 176.519 -0.209 0.000 1.176 353 W CA 1.609 58.871 57.345 -0.138 0.000 1.350 353 W CB -0.384 29.033 29.460 -0.070 0.000 1.148 353 W HN 0.025 nan 8.180 nan 0.000 0.498 354 A N 0.512 123.293 122.820 -0.065 0.000 1.978 354 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 354 A C 2.087 179.403 177.584 -0.447 0.000 1.170 354 A CA 1.868 53.721 52.037 -0.306 0.000 0.636 354 A CB -1.594 17.300 19.000 -0.176 0.000 0.810 354 A HN 0.469 nan 8.150 nan 0.000 0.448 355 G N -1.902 106.669 108.800 -0.383 0.000 2.985 355 G HA2 0.368 4.327 3.960 -0.001 0.000 0.209 355 G HA3 0.368 4.327 3.960 -0.001 0.000 0.209 355 G C 1.081 175.716 174.900 -0.441 0.000 1.165 355 G CA 0.504 45.373 45.100 -0.384 0.000 0.776 355 G HN 1.626 nan 8.290 nan 0.000 0.541 356 G N 0.082 108.574 108.800 -0.512 0.000 2.272 356 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.280 356 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.280 356 G C 0.682 175.183 174.900 -0.666 0.000 1.067 356 G CA 0.397 45.171 45.100 -0.544 0.000 0.902 356 G HN 0.503 nan 8.290 nan 0.000 0.500 357 L N -0.953 119.955 121.223 -0.524 0.000 2.808 357 L HA 0.485 4.824 4.340 -0.001 0.000 0.246 357 L C 1.880 178.570 176.870 -0.299 0.000 1.153 357 L CA 0.653 55.196 54.840 -0.496 0.000 0.956 357 L CB 0.406 42.158 42.059 -0.511 0.000 1.270 357 L HN 0.892 nan 8.230 nan 0.000 0.528 358 G N -0.456 108.199 108.800 -0.242 0.000 2.318 358 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.172 358 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.172 358 G C 0.089 174.958 174.900 -0.051 0.000 1.002 358 G CA -0.473 44.558 45.100 -0.115 0.000 0.697 358 G HN -0.034 nan 8.290 nan 0.000 0.483 359 V N 1.703 121.608 119.914 -0.016 0.000 2.572 359 V HA 0.429 4.548 4.120 -0.001 0.000 0.291 359 V C 1.247 177.527 176.094 0.310 0.000 1.039 359 V CA 1.432 63.819 62.300 0.144 0.000 1.055 359 V CB 1.243 33.207 31.823 0.235 0.000 0.969 359 V HN 0.569 nan 8.190 nan 0.000 0.482 360 D N 4.410 125.032 120.400 0.369 0.000 3.012 360 D HA -0.268 4.371 4.640 -0.001 0.000 0.222 360 D C 0.870 177.322 176.300 0.253 0.000 1.167 360 D CA 1.479 55.726 54.000 0.411 0.000 0.854 360 D CB -1.019 40.172 40.800 0.653 0.000 1.107 360 D HN 1.569 nan 8.370 nan 0.000 0.421 361 A N -2.147 120.762 122.820 0.149 0.000 2.744 361 A HA -0.036 4.283 4.320 -0.001 0.000 0.300 361 A C 1.060 178.644 177.584 0.000 0.000 1.512 361 A CA 1.876 53.953 52.037 0.066 0.000 0.851 361 A CB -2.016 17.033 19.000 0.082 0.000 0.987 361 A HN 1.674 nan 8.150 nan 0.000 0.507 362 A N 0.003 122.801 122.820 -0.036 0.000 2.520 362 A HA 0.525 4.844 4.320 -0.001 0.000 0.245 362 A C -1.419 175.931 177.584 -0.388 0.000 1.072 362 A CA -0.319 51.576 52.037 -0.236 0.000 0.761 362 A CB -0.162 18.503 19.000 -0.559 0.000 1.004 362 A HN 0.475 nan 8.150 nan 0.000 0.499 363 P HA 0.212 nan 4.420 nan 0.000 0.279 363 P C 0.344 177.153 177.300 -0.818 0.000 1.239 363 P CA -0.317 62.318 63.100 -0.774 0.000 0.789 363 P CB 0.303 31.118 31.700 -1.475 0.000 0.933 364 Y N 1.921 121.938 120.300 -0.471 0.000 2.241 364 Y HA -0.223 4.326 4.550 -0.001 0.000 0.286 364 Y C 1.517 177.350 175.900 -0.112 0.000 1.166 364 Y CA 1.074 59.057 58.100 -0.194 0.000 1.203 364 Y CB -1.638 36.897 38.460 0.125 0.000 0.977 364 Y HN 0.249 nan 8.280 nan 0.000 0.529 365 F N 0.615 120.138 119.950 -0.711 0.000 2.748 365 F HA 0.275 4.802 4.527 -0.001 0.000 0.299 365 F C 1.044 176.679 175.800 -0.274 0.000 1.154 365 F CA -0.899 56.797 58.000 -0.506 0.000 1.446 365 F CB -0.779 37.812 39.000 -0.682 0.000 1.112 365 F HN -0.125 nan 8.300 nan 0.000 0.584 366 R N 2.035 122.334 120.500 -0.335 0.000 2.309 366 R HA 0.399 4.738 4.340 -0.001 0.000 0.331 366 R C -1.612 174.440 176.300 -0.413 0.000 1.116 366 R CA -0.051 55.879 56.100 -0.284 0.000 0.970 366 R CB -0.113 29.915 30.300 -0.453 0.000 1.024 366 R HN 0.137 nan 8.270 nan 0.000 0.472 367 V N 6.930 126.688 119.914 -0.260 0.000 2.378 367 V HA 0.340 4.459 4.120 -0.001 0.000 0.288 367 V C -0.433 175.582 176.094 -0.131 0.000 1.016 367 V CA -0.871 61.270 62.300 -0.264 0.000 0.840 367 V CB 0.933 32.677 31.823 -0.132 0.000 0.994 367 V HN 0.532 nan 8.190 nan 0.000 0.431 368 F N 3.607 123.572 119.950 0.024 0.000 2.602 368 F HA 0.122 4.649 4.527 -0.001 0.000 0.385 368 F C 1.068 176.952 175.800 0.140 0.000 1.063 368 F CA 0.026 58.063 58.000 0.062 0.000 1.233 368 F CB 0.091 39.117 39.000 0.043 0.000 1.067 368 F HN 0.478 nan 8.300 nan 0.000 0.564 369 N N 6.467 125.340 118.700 0.288 0.000 2.406 369 N HA 0.156 4.895 4.740 -0.001 0.000 0.251 369 N C -1.813 173.776 175.510 0.133 0.000 1.069 369 N CA -2.011 51.158 53.050 0.199 0.000 0.947 369 N CB 1.222 39.790 38.487 0.134 0.000 1.111 369 N HN 0.168 nan 8.380 nan 0.000 0.497 370 P HA -0.097 nan 4.420 nan 0.000 0.229 370 P C 1.306 178.590 177.300 -0.026 0.000 1.160 370 P CA 0.465 63.575 63.100 0.016 0.000 0.777 370 P CB 0.434 32.121 31.700 -0.022 0.000 0.814 371 V N -1.100 118.822 119.914 0.014 0.000 2.379 371 V HA -0.103 4.017 4.120 -0.001 0.000 0.243 371 V C 2.220 178.268 176.094 -0.077 0.000 1.035 371 V CA 0.909 63.218 62.300 0.015 0.000 1.035 371 V CB -1.279 30.592 31.823 0.079 0.000 0.673 371 V HN -0.067 nan 8.190 nan 0.000 0.457 372 L N -0.033 121.167 121.223 -0.039 0.000 2.013 372 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 372 L C 3.013 179.796 176.870 -0.145 0.000 1.073 372 L CA 2.367 57.169 54.840 -0.064 0.000 0.753 372 L CB -0.626 41.430 42.059 -0.005 0.000 0.890 372 L HN 0.446 nan 8.230 nan 0.000 0.432 373 Q N -0.536 119.193 119.800 -0.118 0.000 2.112 373 Q HA -0.187 4.152 4.340 -0.001 0.000 0.206 373 Q C 2.054 177.874 176.000 -0.300 0.000 0.987 373 Q CA 1.837 57.565 55.803 -0.125 0.000 0.858 373 Q CB -0.695 27.966 28.738 -0.127 0.000 0.905 373 Q HN 0.633 nan 8.270 nan 0.000 0.420 374 G N 0.621 109.042 108.800 -0.631 0.000 2.408 374 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 374 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 374 G C 1.306 175.781 174.900 -0.709 0.000 1.150 374 G CA 0.670 44.966 45.100 -1.340 0.000 0.776 374 G HN 0.388 nan 8.290 nan 0.000 0.542 375 E N -0.237 119.722 120.200 -0.402 0.000 2.077 375 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 375 E C 2.519 179.005 176.600 -0.191 0.000 0.989 375 E CA 0.833 57.140 56.400 -0.156 0.000 0.800 375 E CB -0.051 29.598 29.700 -0.085 0.000 0.746 375 E HN 0.347 nan 8.360 nan 0.000 0.452 376 R N -0.163 120.139 120.500 -0.329 0.000 2.153 376 R HA -0.050 4.289 4.340 -0.001 0.000 0.218 376 R C 1.173 177.106 176.300 -0.612 0.000 1.072 376 R CA 1.101 56.894 56.100 -0.512 0.000 0.990 376 R CB 0.288 30.158 30.300 -0.717 0.000 0.889 376 R HN 0.206 nan 8.270 nan 0.000 0.452 377 H N -2.006 116.971 119.070 -0.155 0.000 2.923 377 H HA 0.213 4.768 4.556 -0.001 0.000 0.268 377 H C -0.709 174.539 175.328 -0.133 0.000 1.148 377 H CA -0.154 55.795 56.048 -0.166 0.000 1.146 377 H CB 0.890 30.508 29.762 -0.241 0.000 1.607 377 H HN 0.094 nan 8.280 nan 0.000 0.566 378 D N 0.827 121.239 120.400 0.020 0.000 2.429 378 D HA 0.207 4.846 4.640 -0.001 0.000 0.255 378 D C -1.961 174.433 176.300 0.156 0.000 1.257 378 D CA -1.861 52.228 54.000 0.148 0.000 0.890 378 D CB 1.631 42.651 40.800 0.365 0.000 1.267 378 D HN -0.092 nan 8.370 nan 0.000 0.521 379 P HA -0.146 nan 4.420 nan 0.000 0.208 379 P C 0.250 177.603 177.300 0.088 0.000 1.180 379 P CA 1.432 64.573 63.100 0.069 0.000 0.935 379 P CB 0.271 32.004 31.700 0.054 0.000 0.785 380 E N -1.620 118.636 120.200 0.093 0.000 2.403 380 E HA 0.321 4.671 4.350 -0.001 0.000 0.188 380 E C 0.918 177.580 176.600 0.103 0.000 1.056 380 E CA 0.359 56.808 56.400 0.082 0.000 0.892 380 E CB -0.558 29.177 29.700 0.059 0.000 1.049 380 E HN 0.247 nan 8.360 nan 0.000 0.465 381 G N 2.094 110.992 108.800 0.163 0.000 2.179 381 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.257 381 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.257 381 G C 0.955 175.945 174.900 0.150 0.000 1.010 381 G CA 0.543 45.758 45.100 0.191 0.000 0.736 381 G HN 0.315 nan 8.290 nan 0.000 0.513 382 R N -1.738 118.859 120.500 0.162 0.000 2.096 382 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 382 R C 2.217 178.626 176.300 0.181 0.000 1.127 382 R CA 1.817 57.995 56.100 0.130 0.000 0.968 382 R CB -0.208 30.165 30.300 0.123 0.000 0.861 382 R HN 0.617 nan 8.270 nan 0.000 0.440 383 W N 1.399 122.767 121.300 0.113 0.000 2.409 383 W HA -0.118 4.541 4.660 -0.001 0.000 0.299 383 W C 1.873 178.507 176.519 0.191 0.000 1.203 383 W CA 0.705 58.163 57.345 0.189 0.000 1.298 383 W CB -0.369 29.232 29.460 0.235 0.000 1.127 383 W HN -0.021 nan 8.180 nan 0.000 0.528 384 L N 2.009 123.342 121.223 0.182 0.000 2.042 384 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 384 L C 2.414 179.181 176.870 -0.173 0.000 1.076 384 L CA 2.618 57.382 54.840 -0.127 0.000 0.749 384 L CB -1.250 40.630 42.059 -0.298 0.000 0.893 384 L HN -0.023 nan 8.230 nan 0.000 0.432 385 K N -0.410 119.922 120.400 -0.113 0.000 2.097 385 K HA -0.167 4.152 4.320 -0.001 0.000 0.206 385 K C 2.320 178.785 176.600 -0.225 0.000 1.049 385 K CA 1.426 57.632 56.287 -0.134 0.000 0.933 385 K CB -0.358 32.093 32.500 -0.082 0.000 0.717 385 K HN 0.197 nan 8.250 nan 0.000 0.442 386 R N -1.061 119.249 120.500 -0.316 0.000 2.092 386 R HA -0.079 4.260 4.340 -0.001 0.000 0.231 386 R C 1.557 177.398 176.300 -0.764 0.000 1.119 386 R CA 1.806 57.543 56.100 -0.606 0.000 0.970 386 R CB -0.233 29.584 30.300 -0.804 0.000 0.864 386 R HN 0.388 nan 8.270 nan 0.000 0.440 387 W N -1.443 119.635 121.300 -0.369 0.000 2.915 387 W HA 0.323 4.982 4.660 -0.001 0.000 0.276 387 W C 0.437 176.779 176.519 -0.295 0.000 1.215 387 W CA 0.071 57.180 57.345 -0.393 0.000 1.514 387 W CB 0.686 29.767 29.460 -0.631 0.000 1.017 387 W HN -0.040 nan 8.180 nan 0.000 0.598 388 A N 0.893 123.663 122.820 -0.084 0.000 3.422 388 A HA 0.293 4.612 4.320 -0.001 0.000 0.271 388 A C -1.973 175.564 177.584 -0.078 0.000 1.104 388 A CA -0.674 51.341 52.037 -0.037 0.000 0.899 388 A CB -0.007 19.068 19.000 0.125 0.000 1.309 388 A HN -0.106 nan 8.150 nan 0.000 0.580 389 P HA -0.125 nan 4.420 nan 0.000 0.234 389 P C 1.047 178.245 177.300 -0.169 0.000 1.167 389 P CA 0.710 63.726 63.100 -0.139 0.000 0.763 389 P CB 0.351 31.963 31.700 -0.147 0.000 0.835 390 E N -0.324 119.714 120.200 -0.269 0.000 2.164 390 E HA -0.195 4.154 4.350 -0.001 0.000 0.206 390 E C -0.114 176.243 176.600 -0.406 0.000 1.032 390 E CA 1.138 57.276 56.400 -0.436 0.000 0.832 390 E CB -0.321 28.893 29.700 -0.809 0.000 0.742 390 E HN 0.383 nan 8.360 nan 0.000 0.460 391 Y N -0.458 119.777 120.300 -0.108 0.000 2.335 391 Y HA 0.168 4.718 4.550 -0.001 0.000 0.339 391 Y C -1.444 174.383 175.900 -0.121 0.000 0.987 391 Y CA -2.197 55.836 58.100 -0.111 0.000 1.140 391 Y CB 1.217 39.593 38.460 -0.140 0.000 1.173 391 Y HN 0.055 nan 8.280 nan 0.000 0.486 392 P HA -0.071 nan 4.420 nan 0.000 0.221 392 P C 0.077 177.371 177.300 -0.010 0.000 1.150 392 P CA 0.956 64.059 63.100 0.005 0.000 0.800 392 P CB 0.598 32.305 31.700 0.013 0.000 0.787 393 S N -2.594 113.100 115.700 -0.009 0.000 2.776 393 S HA 0.324 4.793 4.470 -0.001 0.000 0.292 393 S C 0.342 174.861 174.600 -0.135 0.000 1.187 393 S CA -0.655 57.516 58.200 -0.047 0.000 0.834 393 S CB -0.033 63.186 63.200 0.032 0.000 1.199 393 S HN -0.150 nan 8.310 nan 0.000 0.514 394 Y N 1.065 121.374 120.300 0.015 0.000 2.632 394 Y HA 0.330 4.879 4.550 -0.001 0.000 0.301 394 Y C 1.622 177.487 175.900 -0.058 0.000 1.172 394 Y CA 0.673 58.758 58.100 -0.026 0.000 1.328 394 Y CB -0.445 38.016 38.460 0.002 0.000 1.016 394 Y HN 0.799 nan 8.280 nan 0.000 0.529 395 A N 1.749 124.612 122.820 0.072 0.000 2.524 395 A HA 0.163 4.482 4.320 -0.001 0.000 0.250 395 A C -2.274 175.299 177.584 -0.019 0.000 1.078 395 A CA -1.257 50.805 52.037 0.041 0.000 0.761 395 A CB -0.402 18.628 19.000 0.050 0.000 1.012 395 A HN 0.051 nan 8.150 nan 0.000 0.500 396 P HA 0.209 nan 4.420 nan 0.000 0.269 396 P C -0.529 176.782 177.300 0.017 0.000 1.209 396 P CA 0.135 63.206 63.100 -0.048 0.000 0.776 396 P CB 0.452 32.153 31.700 0.002 0.000 0.876 397 K N 2.296 122.724 120.400 0.047 0.000 2.616 397 K HA 0.120 4.439 4.320 -0.001 0.000 0.241 397 K C -0.847 175.831 176.600 0.131 0.000 0.961 397 K CA -0.435 55.931 56.287 0.132 0.000 0.942 397 K CB 0.597 33.267 32.500 0.283 0.000 1.153 397 K HN 0.478 nan 8.250 nan 0.000 0.452 398 D N 2.889 123.348 120.400 0.097 0.000 2.740 398 D HA -0.143 4.497 4.640 -0.001 0.000 0.231 398 D C -2.181 174.181 176.300 0.102 0.000 1.194 398 D CA 0.432 54.487 54.000 0.091 0.000 0.673 398 D CB -0.735 40.116 40.800 0.084 0.000 0.995 398 D HN 0.377 nan 8.370 nan 0.000 0.411 399 P HA -0.037 nan 4.420 nan 0.000 0.266 399 P C 1.554 178.939 177.300 0.142 0.000 1.195 399 P CA -0.250 62.922 63.100 0.120 0.000 0.768 399 P CB 0.856 32.633 31.700 0.127 0.000 0.838 400 V N 1.247 121.264 119.914 0.172 0.000 2.867 400 V HA -0.069 4.050 4.120 -0.001 0.000 0.260 400 V C 0.991 177.187 176.094 0.169 0.000 1.099 400 V CA 1.296 63.698 62.300 0.170 0.000 1.122 400 V CB -1.266 30.675 31.823 0.197 0.000 0.708 400 V HN 0.452 nan 8.190 nan 0.000 0.490 401 V N -3.366 116.661 119.914 0.189 0.000 3.130 401 V HA 0.590 4.709 4.120 -0.001 0.000 0.310 401 V C -0.706 175.482 176.094 0.156 0.000 1.158 401 V CA -0.847 61.548 62.300 0.160 0.000 1.029 401 V CB 1.881 33.795 31.823 0.152 0.000 1.057 401 V HN 0.204 nan 8.190 nan 0.000 0.436 402 D N 1.612 122.092 120.400 0.132 0.000 2.346 402 D HA 0.203 4.842 4.640 -0.001 0.000 0.260 402 D C 1.080 177.474 176.300 0.157 0.000 1.252 402 D CA 0.158 54.235 54.000 0.127 0.000 0.895 402 D CB 1.218 42.079 40.800 0.102 0.000 1.097 402 D HN 0.639 nan 8.370 nan 0.000 0.489 403 L N 3.497 124.827 121.223 0.178 0.000 2.056 403 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 403 L C 2.311 179.331 176.870 0.251 0.000 1.078 403 L CA 1.339 56.327 54.840 0.247 0.000 0.749 403 L CB -0.425 41.755 42.059 0.202 0.000 0.901 403 L HN 0.529 nan 8.230 nan 0.000 0.433 404 E N 0.104 120.406 120.200 0.170 0.000 2.072 404 E HA -0.264 4.085 4.350 -0.001 0.000 0.191 404 E C 1.945 178.613 176.600 0.113 0.000 0.985 404 E CA 1.038 57.521 56.400 0.138 0.000 0.801 404 E CB -0.249 29.514 29.700 0.104 0.000 0.750 404 E HN 0.240 nan 8.360 nan 0.000 0.452 405 E N 1.567 121.830 120.200 0.105 0.000 2.051 405 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 405 E C 2.061 178.715 176.600 0.091 0.000 0.991 405 E CA 1.822 58.274 56.400 0.088 0.000 0.799 405 E CB -0.699 29.050 29.700 0.081 0.000 0.748 405 E HN 0.347 nan 8.360 nan 0.000 0.449 406 A N 1.252 124.139 122.820 0.111 0.000 1.892 406 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 406 A C 2.356 179.952 177.584 0.020 0.000 1.188 406 A CA 2.159 54.250 52.037 0.089 0.000 0.631 406 A CB -0.755 18.324 19.000 0.132 0.000 0.822 406 A HN 0.300 nan 8.150 nan 0.000 0.447 407 R N -0.513 119.984 120.500 -0.006 0.000 2.097 407 R HA -0.185 4.154 4.340 -0.001 0.000 0.236 407 R C 2.493 178.840 176.300 0.078 0.000 1.135 407 R CA 1.939 58.012 56.100 -0.044 0.000 0.934 407 R CB -0.326 29.996 30.300 0.037 0.000 0.846 407 R HN 0.570 nan 8.270 nan 0.000 0.431 408 R N -0.101 120.447 120.500 0.081 0.000 2.105 408 R HA -0.187 4.152 4.340 -0.001 0.000 0.239 408 R C 2.534 178.881 176.300 0.078 0.000 1.135 408 R CA 1.732 57.879 56.100 0.079 0.000 0.967 408 R CB -0.498 29.839 30.300 0.061 0.000 0.861 408 R HN 0.335 nan 8.270 nan 0.000 0.442 409 R N 0.390 120.940 120.500 0.084 0.000 2.070 409 R HA -0.231 4.108 4.340 -0.001 0.000 0.233 409 R C 2.256 178.625 176.300 0.116 0.000 1.137 409 R CA 1.844 57.991 56.100 0.079 0.000 0.945 409 R CB -0.639 29.712 30.300 0.086 0.000 0.845 409 R HN 0.233 nan 8.270 nan 0.000 0.430 410 Y N 1.423 121.767 120.300 0.073 0.000 2.081 410 Y HA -0.262 4.287 4.550 -0.001 0.000 0.280 410 Y C 1.999 178.003 175.900 0.172 0.000 1.163 410 Y CA 2.137 60.332 58.100 0.159 0.000 1.135 410 Y CB -0.430 38.070 38.460 0.068 0.000 0.970 410 Y HN 0.093 nan 8.280 nan 0.000 0.498 411 L N -0.116 121.173 121.223 0.110 0.000 2.046 411 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 411 L C 2.776 179.629 176.870 -0.028 0.000 1.077 411 L CA 1.798 56.690 54.840 0.087 0.000 0.747 411 L CB -0.622 41.563 42.059 0.210 0.000 0.896 411 L HN 0.190 nan 8.230 nan 0.000 0.432 412 R N 0.608 121.091 120.500 -0.027 0.000 2.094 412 R HA -0.209 4.130 4.340 -0.001 0.000 0.239 412 R C 2.354 178.546 176.300 -0.179 0.000 1.137 412 R CA 1.723 57.776 56.100 -0.078 0.000 0.943 412 R CB -0.363 29.905 30.300 -0.053 0.000 0.850 412 R HN 0.248 nan 8.270 nan 0.000 0.433 413 L N 0.024 121.115 121.223 -0.219 0.000 2.012 413 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 413 L C 2.703 179.318 176.870 -0.425 0.000 1.073 413 L CA 1.514 56.130 54.840 -0.373 0.000 0.748 413 L CB -0.482 41.297 42.059 -0.467 0.000 0.891 413 L HN 0.391 nan 8.230 nan 0.000 0.431 414 A N -0.484 122.101 122.820 -0.392 0.000 1.968 414 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 414 A C 2.371 179.492 177.584 -0.772 0.000 1.169 414 A CA 0.931 52.670 52.037 -0.497 0.000 0.638 414 A CB -0.347 18.297 19.000 -0.594 0.000 0.812 414 A HN 0.284 nan 8.150 nan 0.000 0.446 415 R N -0.148 120.012 120.500 -0.567 0.000 2.075 415 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 415 R C 1.479 177.589 176.300 -0.316 0.000 1.126 415 R CA 1.484 57.342 56.100 -0.403 0.000 0.963 415 R CB -0.410 29.832 30.300 -0.096 0.000 0.858 415 R HN 0.438 nan 8.270 nan 0.000 0.435 416 D N 0.759 120.979 120.400 -0.299 0.000 2.123 416 D HA -0.160 4.479 4.640 -0.001 0.000 0.196 416 D C 1.944 178.048 176.300 -0.327 0.000 0.992 416 D CA 1.084 54.919 54.000 -0.274 0.000 0.833 416 D CB -0.127 40.510 40.800 -0.272 0.000 0.954 416 D HN 0.168 nan 8.370 nan 0.000 0.455 417 L N 0.121 121.070 121.223 -0.458 0.000 2.068 417 L HA -0.010 4.329 4.340 -0.001 0.000 0.204 417 L C 2.382 178.967 176.870 -0.475 0.000 1.076 417 L CA 0.990 55.514 54.840 -0.525 0.000 0.753 417 L CB -0.360 41.233 42.059 -0.775 0.000 0.910 417 L HN -0.008 nan 8.230 nan 0.000 0.439 418 A N 0.632 123.144 122.820 -0.513 0.000 2.014 418 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 418 A C 2.021 179.523 177.584 -0.137 0.000 1.163 418 A CA 1.456 53.322 52.037 -0.285 0.000 0.652 418 A CB -0.239 18.616 19.000 -0.242 0.000 0.808 418 A HN 0.462 nan 8.150 nan 0.000 0.449 419 R N -0.383 120.022 120.500 -0.158 0.000 2.543 419 R HA 0.317 4.656 4.340 -0.001 0.000 0.323 419 R C 0.575 176.823 176.300 -0.087 0.000 1.002 419 R CA 0.081 56.138 56.100 -0.073 0.000 1.106 419 R CB -1.203 29.079 30.300 -0.031 0.000 1.280 419 R HN 0.211 nan 8.270 nan 0.000 0.549 420 G N 0.000 108.723 108.800 -0.128 0.000 5.446 420 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 420 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 420 G CA 0.000 45.030 45.100 -0.116 0.000 0.502 420 G HN 0.000 nan 8.290 nan 0.000 0.925