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 1pgq_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQADIALIGL AVMGQNLILN MNDHGFVVCA FNRTVSKVDD FLANEAKGTK DATA SEQUENCE VLGAHSLEEM VSKLKKPRRI ILLVKAGQAV DNFIEKLVPL LDIGDIIIDG DATA SEQUENCE GNSEYRDTMR RCRDLKDKGI LFVGSGVSGG EDGARYGPSL MPGGNKEAWP DATA SEQUENCE HIKAIFQGIA AKVGTGEPCC DWVGDDGAGH FVKMVHNGIE YGDMQLICEA DATA SEQUENCE YHLMKDVLGL GHKEMAKAFE EWNKTELDSF LIEITASILK FQDADGKHLL DATA SEQUENCE PKIRDSAGQK GTGKWTAISA LEYGVPVTLI GEAVFARCLS SLKDERIQAS DATA SEQUENCE KKLKGPQNIP FEGDKKSFLE DIRKALYASK IISYAQGFML LRQAATEFGW DATA SEQUENCE TLNYGGIALM WRGGCIIRSV FLGKIKDAFD RNPGLQNLLL DDFFKSAVEN DATA SEQUENCE CQDSWRRAIS TGVQAGIPMP CFTTALSFYD GYRHAMLPAN LIQAQRDYFG DATA SEQUENCE AHTYELLAKP GQFIHTNWTG HGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.592 177.584 0.013 0.000 1.274 1 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1 A CB 0.000 19.001 19.000 0.002 0.000 0.831 2 Q N 0.500 120.312 119.800 0.020 0.000 2.135 2 Q HA 0.300 4.641 4.340 0.001 0.000 0.175 2 Q C 0.685 176.708 176.000 0.039 0.000 0.703 2 Q CA 0.527 56.346 55.803 0.026 0.000 0.834 2 Q CB 0.547 29.299 28.738 0.024 0.000 1.229 2 Q HN 1.484 nan 8.270 nan 0.000 0.388 3 A N 1.620 124.465 122.820 0.043 0.000 2.454 3 A HA 0.091 4.412 4.320 0.001 0.000 0.260 3 A C 0.318 177.940 177.584 0.064 0.000 1.106 3 A CA 0.115 52.187 52.037 0.059 0.000 0.780 3 A CB 0.186 19.218 19.000 0.053 0.000 1.044 3 A HN 0.316 nan 8.150 nan 0.000 0.498 4 D N 1.100 121.559 120.400 0.099 0.000 2.117 4 D HA -0.026 4.615 4.640 0.001 0.000 0.198 4 D C 0.457 176.797 176.300 0.066 0.000 0.982 4 D CA 1.722 55.790 54.000 0.112 0.000 0.828 4 D CB 0.213 41.154 40.800 0.235 0.000 0.967 4 D HN 0.613 nan 8.370 nan 0.000 0.464 5 I N -0.884 119.723 120.570 0.062 0.000 2.913 5 I HA 0.442 4.612 4.170 0.001 0.000 0.302 5 I C -1.829 174.314 176.117 0.044 0.000 1.246 5 I CA -0.761 60.560 61.300 0.036 0.000 1.010 5 I CB 2.191 40.194 38.000 0.006 0.000 1.259 5 I HN -0.165 nan 8.210 nan 0.000 0.434 6 A N 6.790 129.631 122.820 0.036 0.000 2.340 6 A HA 0.833 5.154 4.320 0.001 0.000 0.331 6 A C -1.680 175.922 177.584 0.030 0.000 1.140 6 A CA -0.597 51.464 52.037 0.041 0.000 0.801 6 A CB 1.495 20.515 19.000 0.033 0.000 1.234 6 A HN 0.749 nan 8.150 nan 0.000 0.469 7 L N 2.473 123.712 121.223 0.027 0.000 2.409 7 L HA 0.646 4.986 4.340 0.001 0.000 0.272 7 L C -1.498 175.354 176.870 -0.030 0.000 0.980 7 L CA -0.551 54.281 54.840 -0.014 0.000 0.826 7 L CB 1.364 43.405 42.059 -0.031 0.000 1.268 7 L HN 0.660 nan 8.230 nan 0.000 0.407 8 I N 5.080 125.598 120.570 -0.086 0.000 2.330 8 I HA 0.628 4.799 4.170 0.001 0.000 0.289 8 I C 0.349 176.343 176.117 -0.205 0.000 1.001 8 I CA -0.501 60.701 61.300 -0.162 0.000 1.193 8 I CB 1.421 39.201 38.000 -0.368 0.000 1.345 8 I HN 0.827 nan 8.210 nan 0.000 0.461 9 G N 6.503 115.183 108.800 -0.201 0.000 2.220 9 G HA2 -0.027 3.934 3.960 0.001 0.000 0.221 9 G HA3 -0.027 3.934 3.960 0.001 0.000 0.221 9 G C -0.515 174.265 174.900 -0.200 0.000 2.189 9 G CA -0.856 44.141 45.100 -0.173 0.000 1.153 9 G HN 0.528 nan 8.290 nan 0.000 0.621 10 L N 1.266 122.346 121.223 -0.238 0.000 2.939 10 L HA 0.445 4.786 4.340 0.001 0.000 0.239 10 L C 1.497 178.219 176.870 -0.246 0.000 1.325 10 L CA 0.354 55.002 54.840 -0.319 0.000 1.170 10 L CB -0.284 41.558 42.059 -0.363 0.000 1.538 10 L HN 0.668 nan 8.230 nan 0.000 0.452 11 A N -0.124 122.587 122.820 -0.181 0.000 2.249 11 A HA 0.368 4.689 4.320 0.001 0.000 0.281 11 A C 1.482 178.983 177.584 -0.139 0.000 1.127 11 A CA -0.362 51.599 52.037 -0.128 0.000 0.833 11 A CB 0.600 19.546 19.000 -0.090 0.000 1.140 11 A HN 0.093 nan 8.150 nan 0.000 0.502 12 V N -0.778 119.078 119.914 -0.096 0.000 2.287 12 V HA -0.301 3.819 4.120 0.001 0.000 0.248 12 V C 2.419 178.457 176.094 -0.093 0.000 1.053 12 V CA 2.684 64.934 62.300 -0.084 0.000 1.027 12 V CB -1.302 30.490 31.823 -0.052 0.000 0.646 12 V HN 0.887 nan 8.190 nan 0.000 0.447 13 M N 1.919 121.468 119.600 -0.085 0.000 2.108 13 M HA -0.060 4.421 4.480 0.001 0.000 0.261 13 M C 2.003 178.238 176.300 -0.108 0.000 1.066 13 M CA 2.293 57.541 55.300 -0.086 0.000 1.107 13 M CB -1.038 31.521 32.600 -0.068 0.000 1.356 13 M HN 0.346 nan 8.290 nan 0.000 0.406 14 G N -1.116 107.605 108.800 -0.132 0.000 2.404 14 G HA2 -0.208 3.753 3.960 0.001 0.000 0.215 14 G HA3 -0.208 3.753 3.960 0.001 0.000 0.215 14 G C 1.399 176.182 174.900 -0.195 0.000 1.174 14 G CA 0.756 45.760 45.100 -0.160 0.000 0.780 14 G HN 0.579 nan 8.290 nan 0.000 0.537 15 Q N 0.203 119.845 119.800 -0.263 0.000 2.020 15 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 15 Q C 2.523 178.504 176.000 -0.032 0.000 0.982 15 Q CA 1.572 57.205 55.803 -0.284 0.000 0.838 15 Q CB -0.253 28.324 28.738 -0.267 0.000 0.899 15 Q HN 0.550 nan 8.270 nan 0.000 0.423 16 N N 0.032 118.696 118.700 -0.059 0.000 2.166 16 N HA -0.161 4.579 4.740 0.001 0.000 0.186 16 N C 1.554 177.019 175.510 -0.075 0.000 1.019 16 N CA 0.582 53.590 53.050 -0.070 0.000 0.856 16 N CB 0.002 38.421 38.487 -0.114 0.000 0.993 16 N HN 0.056 nan 8.380 nan 0.000 0.426 17 L N 0.902 122.077 121.223 -0.080 0.000 2.044 17 L HA 0.013 4.353 4.340 0.001 0.000 0.205 17 L C 1.801 178.652 176.870 -0.032 0.000 1.075 17 L CA 1.213 56.003 54.840 -0.085 0.000 0.747 17 L CB -0.347 41.642 42.059 -0.116 0.000 0.903 17 L HN 0.192 nan 8.230 nan 0.000 0.435 18 I N -1.289 119.284 120.570 0.005 0.000 2.145 18 I HA -0.366 3.805 4.170 0.001 0.000 0.244 18 I C 2.268 178.466 176.117 0.134 0.000 1.075 18 I CA 1.109 62.462 61.300 0.089 0.000 1.332 18 I CB -0.328 37.774 38.000 0.170 0.000 1.033 18 I HN 0.252 nan 8.210 nan 0.000 0.410 19 L N 0.756 122.063 121.223 0.141 0.000 1.994 19 L HA -0.248 4.092 4.340 0.001 0.000 0.208 19 L C 2.339 179.265 176.870 0.095 0.000 1.071 19 L CA 1.819 56.726 54.840 0.111 0.000 0.745 19 L CB -1.252 40.861 42.059 0.089 0.000 0.892 19 L HN 0.323 nan 8.230 nan 0.000 0.431 20 N N -0.395 118.341 118.700 0.060 0.000 2.104 20 N HA -0.229 4.511 4.740 0.001 0.000 0.190 20 N C 1.823 177.477 175.510 0.240 0.000 1.024 20 N CA 1.750 54.874 53.050 0.123 0.000 0.853 20 N CB -0.059 38.436 38.487 0.014 0.000 1.008 20 N HN 0.326 nan 8.380 nan 0.000 0.424 21 M N 0.134 119.831 119.600 0.160 0.000 2.067 21 M HA -0.161 4.320 4.480 0.001 0.000 0.260 21 M C 2.093 178.622 176.300 0.382 0.000 1.069 21 M CA 1.656 57.104 55.300 0.247 0.000 1.117 21 M CB -0.708 31.960 32.600 0.113 0.000 1.334 21 M HN 0.224 nan 8.290 nan 0.000 0.407 22 N N 0.791 119.634 118.700 0.238 0.000 2.037 22 N HA -0.238 4.503 4.740 0.001 0.000 0.196 22 N C 1.118 176.712 175.510 0.141 0.000 1.034 22 N CA 2.192 55.344 53.050 0.170 0.000 0.861 22 N CB -0.086 38.464 38.487 0.105 0.000 1.039 22 N HN 0.196 nan 8.380 nan 0.000 0.427 23 D N -1.011 119.480 120.400 0.151 0.000 2.271 23 D HA -0.142 4.499 4.640 0.001 0.000 0.207 23 D C 0.683 176.980 176.300 -0.006 0.000 0.983 23 D CA 1.151 55.198 54.000 0.079 0.000 0.878 23 D CB -0.398 40.465 40.800 0.104 0.000 0.920 23 D HN 0.586 nan 8.370 nan 0.000 0.479 24 H N -1.011 118.113 119.070 0.090 0.000 2.519 24 H HA 0.390 4.947 4.556 0.001 0.000 0.289 24 H C 0.978 176.138 175.328 -0.279 0.000 1.040 24 H CA 0.302 56.368 56.048 0.031 0.000 1.165 24 H CB 0.175 30.092 29.762 0.259 0.000 1.462 24 H HN 0.075 nan 8.280 nan 0.000 0.555 25 G N 0.644 109.353 108.800 -0.151 0.000 2.324 25 G HA2 -0.264 3.697 3.960 0.001 0.000 0.292 25 G HA3 -0.264 3.697 3.960 0.001 0.000 0.292 25 G C -0.637 173.954 174.900 -0.515 0.000 1.079 25 G CA -0.238 44.688 45.100 -0.290 0.000 1.026 25 G HN 0.245 nan 8.290 nan 0.000 0.506 26 F N -0.967 119.023 119.950 0.066 0.000 2.518 26 F HA 0.528 5.056 4.527 0.001 0.000 0.323 26 F C 0.456 176.283 175.800 0.046 0.000 1.129 26 F CA -1.194 56.839 58.000 0.054 0.000 0.920 26 F CB 2.176 41.213 39.000 0.062 0.000 1.160 26 F HN 0.054 nan 8.300 nan 0.000 0.440 27 V N 4.565 124.593 119.914 0.190 0.000 2.470 27 V HA 0.330 4.451 4.120 0.001 0.000 0.276 27 V C -0.134 176.041 176.094 0.135 0.000 1.040 27 V CA -0.477 61.897 62.300 0.123 0.000 1.008 27 V CB 0.831 32.701 31.823 0.078 0.000 0.990 27 V HN 0.501 nan 8.190 nan 0.000 0.477 28 V N 4.632 124.618 119.914 0.119 0.000 2.495 28 V HA 0.306 4.427 4.120 0.001 0.000 0.298 28 V C 0.028 176.181 176.094 0.099 0.000 1.031 28 V CA -0.597 61.769 62.300 0.110 0.000 0.871 28 V CB 1.757 33.652 31.823 0.120 0.000 0.988 28 V HN 0.999 nan 8.190 nan 0.000 0.432 29 C N 5.969 125.321 119.300 0.087 0.000 2.246 29 C HA 0.798 5.259 4.460 0.001 0.000 0.329 29 C C 0.837 175.891 174.990 0.108 0.000 1.221 29 C CA -0.477 58.594 59.018 0.087 0.000 1.697 29 C CB -0.867 26.912 27.740 0.066 0.000 2.312 29 C HN 1.048 nan 8.230 nan 0.000 0.509 30 A N 5.702 128.602 122.820 0.133 0.000 2.316 30 A HA 0.823 5.143 4.320 0.001 0.000 0.284 30 A C -0.889 176.792 177.584 0.163 0.000 1.115 30 A CA -0.253 51.862 52.037 0.129 0.000 0.812 30 A CB 0.473 19.587 19.000 0.190 0.000 1.064 30 A HN 0.994 nan 8.150 nan 0.000 0.489 31 F N 1.461 121.380 119.950 -0.053 0.000 2.626 31 F HA 0.625 5.153 4.527 0.001 0.000 0.311 31 F C -0.680 175.071 175.800 -0.081 0.000 1.088 31 F CA -0.861 57.103 58.000 -0.060 0.000 0.949 31 F CB 1.871 40.842 39.000 -0.048 0.000 1.322 31 F HN 0.709 nan 8.300 nan 0.000 0.461 32 N N 3.082 121.036 118.700 -1.243 0.000 2.710 32 N HA 0.232 4.973 4.740 0.001 0.000 0.257 32 N C -0.061 174.973 175.510 -0.793 0.000 1.327 32 N CA -0.476 52.137 53.050 -0.729 0.000 0.861 32 N CB 2.378 40.627 38.487 -0.396 0.000 1.532 32 N HN 0.889 nan 8.380 nan 0.000 0.499 33 R N 0.348 120.698 120.500 -0.249 0.000 2.070 33 R HA -0.042 4.299 4.340 0.001 0.000 0.233 33 R C 0.338 176.595 176.300 -0.072 0.000 1.137 33 R CA 1.972 58.059 56.100 -0.022 0.000 0.945 33 R CB -0.628 29.744 30.300 0.119 0.000 0.845 33 R HN 0.645 nan 8.270 nan 0.000 0.430 34 T N -0.197 114.311 114.554 -0.078 0.000 3.162 34 T HA 0.164 4.515 4.350 0.001 0.000 0.316 34 T C 1.074 175.724 174.700 -0.084 0.000 1.182 34 T CA -0.375 61.697 62.100 -0.048 0.000 1.015 34 T CB 1.362 70.214 68.868 -0.027 0.000 1.089 34 T HN 0.044 nan 8.240 nan 0.000 0.646 35 V N 3.353 123.223 119.914 -0.072 0.000 2.636 35 V HA -0.261 3.860 4.120 0.001 0.000 0.258 35 V C 2.342 178.450 176.094 0.023 0.000 1.092 35 V CA 2.510 64.781 62.300 -0.047 0.000 1.110 35 V CB -0.872 31.020 31.823 0.115 0.000 0.685 35 V HN 0.985 nan 8.190 nan 0.000 0.481 36 S N -0.447 115.275 115.700 0.037 0.000 2.359 36 S HA -0.243 4.228 4.470 0.001 0.000 0.224 36 S C 2.019 176.636 174.600 0.028 0.000 1.035 36 S CA 1.396 59.628 58.200 0.052 0.000 1.018 36 S CB -0.430 62.791 63.200 0.036 0.000 0.876 36 S HN 0.502 nan 8.310 nan 0.000 0.448 37 K N 1.320 121.712 120.400 -0.014 0.000 2.211 37 K HA -0.041 4.280 4.320 0.001 0.000 0.204 37 K C 2.004 178.601 176.600 -0.006 0.000 1.047 37 K CA 0.821 57.093 56.287 -0.025 0.000 0.935 37 K CB -0.726 31.729 32.500 -0.076 0.000 0.728 37 K HN 0.325 nan 8.250 nan 0.000 0.452 38 V N 1.472 121.364 119.914 -0.037 0.000 2.295 38 V HA -0.240 3.880 4.120 0.001 0.000 0.246 38 V C 1.934 178.074 176.094 0.076 0.000 1.049 38 V CA 1.981 64.279 62.300 -0.004 0.000 1.024 38 V CB -0.378 31.362 31.823 -0.139 0.000 0.648 38 V HN 0.258 nan 8.190 nan 0.000 0.447 39 D N -0.198 120.239 120.400 0.061 0.000 2.117 39 D HA -0.187 4.454 4.640 0.001 0.000 0.197 39 D C 1.919 178.273 176.300 0.091 0.000 0.987 39 D CA 1.756 55.816 54.000 0.098 0.000 0.829 39 D CB -0.266 40.620 40.800 0.144 0.000 0.961 39 D HN 0.516 nan 8.370 nan 0.000 0.460 40 D N -0.275 120.181 120.400 0.092 0.000 2.087 40 D HA -0.199 4.442 4.640 0.001 0.000 0.192 40 D C 1.925 178.307 176.300 0.136 0.000 0.993 40 D CA 0.686 54.740 54.000 0.090 0.000 0.828 40 D CB -0.356 40.487 40.800 0.072 0.000 0.968 40 D HN 0.019 nan 8.370 nan 0.000 0.448 41 F N 0.854 120.794 119.950 -0.017 0.000 2.063 41 F HA -0.186 4.342 4.527 0.001 0.000 0.298 41 F C 2.093 177.888 175.800 -0.010 0.000 1.109 41 F CA 1.404 59.392 58.000 -0.019 0.000 1.212 41 F CB -0.732 38.249 39.000 -0.033 0.000 0.973 41 F HN 0.056 nan 8.300 nan 0.000 0.480 42 L N -0.465 120.743 121.223 -0.024 0.000 2.083 42 L HA -0.202 4.139 4.340 0.001 0.000 0.209 42 L C 2.716 179.525 176.870 -0.102 0.000 1.083 42 L CA 1.309 56.067 54.840 -0.137 0.000 0.752 42 L CB -1.081 40.962 42.059 -0.027 0.000 0.899 42 L HN 0.238 nan 8.230 nan 0.000 0.433 43 A N -0.546 122.255 122.820 -0.032 0.000 1.897 43 A HA -0.090 4.230 4.320 0.001 0.000 0.215 43 A C 1.902 179.467 177.584 -0.032 0.000 1.181 43 A CA 1.196 53.221 52.037 -0.019 0.000 0.620 43 A CB -0.263 18.744 19.000 0.012 0.000 0.821 43 A HN 0.393 nan 8.150 nan 0.000 0.443 44 N N -0.508 118.178 118.700 -0.024 0.000 1.903 44 N HA 0.018 4.759 4.740 0.001 0.000 0.238 44 N C 1.409 176.887 175.510 -0.054 0.000 1.090 44 N CA 0.793 53.836 53.050 -0.012 0.000 1.095 44 N CB -0.731 37.779 38.487 0.037 0.000 1.462 44 N HN 0.268 nan 8.380 nan 0.000 0.536 45 E N 1.113 121.299 120.200 -0.023 0.000 2.171 45 E HA -0.079 4.272 4.350 0.001 0.000 0.197 45 E C 1.138 177.605 176.600 -0.221 0.000 0.997 45 E CA 1.294 57.669 56.400 -0.042 0.000 0.810 45 E CB -0.157 29.628 29.700 0.142 0.000 0.738 45 E HN 0.463 nan 8.360 nan 0.000 0.467 46 A N 0.296 122.808 122.820 -0.514 0.000 2.308 46 A HA 0.110 4.431 4.320 0.001 0.000 0.217 46 A C 0.747 178.156 177.584 -0.292 0.000 1.216 46 A CA -0.316 51.377 52.037 -0.574 0.000 0.864 46 A CB -0.000 18.314 19.000 -1.143 0.000 0.902 46 A HN -0.051 nan 8.150 nan 0.000 0.499 47 K N 0.432 120.719 120.400 -0.187 0.000 2.447 47 K HA 0.354 4.675 4.320 0.001 0.000 0.281 47 K C 1.167 177.717 176.600 -0.083 0.000 1.031 47 K CA 1.140 57.362 56.287 -0.109 0.000 1.019 47 K CB -0.214 32.245 32.500 -0.068 0.000 0.918 47 K HN 0.844 nan 8.250 nan 0.000 0.476 48 G N 2.328 111.087 108.800 -0.067 0.000 2.176 48 G HA2 -0.305 3.656 3.960 0.001 0.000 0.253 48 G HA3 -0.305 3.656 3.960 0.001 0.000 0.253 48 G C 0.301 175.173 174.900 -0.047 0.000 0.979 48 G CA 0.570 45.642 45.100 -0.046 0.000 0.641 48 G HN 0.979 nan 8.290 nan 0.000 0.530 49 T N -2.012 112.500 114.554 -0.069 0.000 2.788 49 T HA 0.594 4.945 4.350 0.001 0.000 0.280 49 T C 1.134 175.811 174.700 -0.039 0.000 0.984 49 T CA 0.315 62.383 62.100 -0.054 0.000 0.972 49 T CB 1.213 70.033 68.868 -0.079 0.000 1.039 49 T HN 0.170 nan 8.240 nan 0.000 0.530 50 K N 0.295 120.686 120.400 -0.016 0.000 2.487 50 K HA 0.189 4.510 4.320 0.001 0.000 0.192 50 K C 0.786 177.391 176.600 0.008 0.000 1.027 50 K CA -0.093 56.193 56.287 -0.002 0.000 1.054 50 K CB -0.290 32.215 32.500 0.008 0.000 0.824 50 K HN 0.589 nan 8.250 nan 0.000 0.510 51 V N -0.260 119.652 119.914 -0.004 0.000 2.715 51 V HA 0.248 4.368 4.120 0.001 0.000 0.299 51 V C -0.089 176.013 176.094 0.013 0.000 1.054 51 V CA -0.742 61.568 62.300 0.018 0.000 1.077 51 V CB 0.418 32.251 31.823 0.016 0.000 0.972 51 V HN 0.001 nan 8.190 nan 0.000 0.484 52 L N 4.490 125.739 121.223 0.043 0.000 2.344 52 L HA 0.856 5.197 4.340 0.001 0.000 0.272 52 L C 0.620 177.527 176.870 0.061 0.000 1.035 52 L CA -0.312 54.556 54.840 0.045 0.000 0.807 52 L CB 1.632 43.721 42.059 0.050 0.000 1.237 52 L HN 0.916 nan 8.230 nan 0.000 0.442 53 G N 0.762 109.591 108.800 0.048 0.000 2.609 53 G HA2 0.667 4.628 3.960 0.001 0.000 0.308 53 G HA3 0.667 4.628 3.960 0.001 0.000 0.308 53 G C -0.905 173.997 174.900 0.003 0.000 1.369 53 G CA -0.352 44.767 45.100 0.032 0.000 0.958 53 G HN 0.756 nan 8.290 nan 0.000 0.499 54 A N 1.710 124.567 122.820 0.062 0.000 2.279 54 A HA 0.701 5.021 4.320 0.001 0.000 0.303 54 A C 0.052 177.698 177.584 0.103 0.000 1.108 54 A CA -0.559 51.544 52.037 0.111 0.000 0.830 54 A CB 0.879 19.953 19.000 0.123 0.000 1.106 54 A HN 0.872 nan 8.150 nan 0.000 0.493 55 H N -0.541 118.673 119.070 0.241 0.000 2.785 55 H HA 0.346 4.903 4.556 0.001 0.000 0.268 55 H C -0.386 175.120 175.328 0.297 0.000 1.153 55 H CA 0.723 56.935 56.048 0.273 0.000 1.111 55 H CB 0.575 30.428 29.762 0.151 0.000 1.633 55 H HN 0.699 nan 8.280 nan 0.000 0.576 56 S N -1.251 114.611 115.700 0.270 0.000 2.543 56 S HA 0.155 4.626 4.470 0.001 0.000 0.274 56 S C 0.344 174.687 174.600 -0.429 0.000 1.149 56 S CA -0.849 57.377 58.200 0.042 0.000 0.866 56 S CB 1.052 64.284 63.200 0.055 0.000 1.111 56 S HN 0.087 nan 8.310 nan 0.000 0.457 57 L N 1.102 121.983 121.223 -0.570 0.000 2.012 57 L HA -0.144 4.197 4.340 0.001 0.000 0.210 57 L C 2.442 179.144 176.870 -0.281 0.000 1.073 57 L CA 1.913 56.400 54.840 -0.587 0.000 0.748 57 L CB -0.476 41.437 42.059 -0.243 0.000 0.891 57 L HN 0.829 nan 8.230 nan 0.000 0.431 58 E N -0.695 119.418 120.200 -0.144 0.000 2.150 58 E HA -0.243 4.108 4.350 0.001 0.000 0.193 58 E C 1.976 178.536 176.600 -0.066 0.000 0.985 58 E CA 1.041 57.395 56.400 -0.077 0.000 0.814 58 E CB -0.113 29.565 29.700 -0.036 0.000 0.752 58 E HN 0.443 nan 8.360 nan 0.000 0.466 59 E N 0.570 120.733 120.200 -0.063 0.000 2.017 59 E HA -0.236 4.115 4.350 0.001 0.000 0.193 59 E C 2.065 178.637 176.600 -0.047 0.000 0.997 59 E CA 1.231 57.616 56.400 -0.024 0.000 0.804 59 E CB -0.123 29.592 29.700 0.025 0.000 0.757 59 E HN 0.249 nan 8.360 nan 0.000 0.448 60 M N 0.504 120.035 119.600 -0.115 0.000 2.106 60 M HA -0.188 4.293 4.480 0.001 0.000 0.259 60 M C 2.259 178.517 176.300 -0.069 0.000 1.068 60 M CA 1.469 56.708 55.300 -0.102 0.000 1.100 60 M CB -0.130 32.333 32.600 -0.228 0.000 1.351 60 M HN 0.149 nan 8.290 nan 0.000 0.404 61 V N -0.016 119.848 119.914 -0.084 0.000 2.490 61 V HA -0.227 3.894 4.120 0.001 0.000 0.250 61 V C 2.163 178.242 176.094 -0.025 0.000 1.061 61 V CA 2.228 64.500 62.300 -0.046 0.000 1.064 61 V CB -0.273 31.522 31.823 -0.048 0.000 0.670 61 V HN 0.606 nan 8.190 nan 0.000 0.461 62 S N -0.522 115.164 115.700 -0.022 0.000 2.387 62 S HA -0.093 4.378 4.470 0.001 0.000 0.226 62 S C 1.843 176.443 174.600 -0.000 0.000 1.026 62 S CA 0.707 58.902 58.200 -0.009 0.000 0.972 62 S CB -0.204 62.993 63.200 -0.004 0.000 0.814 62 S HN 0.492 nan 8.310 nan 0.000 0.477 63 K N 1.113 121.514 120.400 0.003 0.000 2.442 63 K HA 0.106 4.426 4.320 0.001 0.000 0.198 63 K C 0.442 177.051 176.600 0.015 0.000 1.042 63 K CA 0.289 56.585 56.287 0.014 0.000 0.958 63 K CB -0.473 32.041 32.500 0.023 0.000 0.766 63 K HN 0.398 nan 8.250 nan 0.000 0.474 64 L N 1.706 122.933 121.223 0.007 0.000 2.371 64 L HA 0.134 4.475 4.340 0.001 0.000 0.272 64 L C 0.642 177.513 176.870 0.002 0.000 1.124 64 L CA -0.293 54.552 54.840 0.008 0.000 0.816 64 L CB 0.691 42.751 42.059 0.002 0.000 1.129 64 L HN -0.112 nan 8.230 nan 0.000 0.448 65 K N 2.134 122.536 120.400 0.003 0.000 2.098 65 K HA 0.359 4.680 4.320 0.001 0.000 0.257 65 K C -0.610 175.975 176.600 -0.026 0.000 0.999 65 K CA -0.729 55.554 56.287 -0.007 0.000 0.924 65 K CB 1.017 33.518 32.500 0.001 0.000 1.028 65 K HN 0.414 nan 8.250 nan 0.000 0.466 66 K N 1.957 122.333 120.400 -0.041 0.000 2.130 66 K HA 0.278 4.599 4.320 0.001 0.000 0.268 66 K C -2.347 174.183 176.600 -0.117 0.000 0.983 66 K CA -1.808 54.438 56.287 -0.068 0.000 0.893 66 K CB 0.815 33.280 32.500 -0.058 0.000 1.066 66 K HN 0.336 nan 8.250 nan 0.000 0.450 67 P HA 0.135 nan 4.420 nan 0.000 0.276 67 P C -0.979 176.264 177.300 -0.095 0.000 1.243 67 P CA -0.385 62.615 63.100 -0.166 0.000 0.768 67 P CB 0.568 32.089 31.700 -0.297 0.000 0.856 68 R N 3.285 123.755 120.500 -0.051 0.000 2.480 68 R HA 0.092 4.433 4.340 0.001 0.000 0.303 68 R C 0.245 176.539 176.300 -0.009 0.000 0.985 68 R CA 0.336 56.423 56.100 -0.022 0.000 1.051 68 R CB 0.187 30.482 30.300 -0.009 0.000 0.935 68 R HN 0.402 nan 8.270 nan 0.000 0.410 69 R N 3.437 123.936 120.500 -0.001 0.000 2.337 69 R HA 0.387 4.727 4.340 0.001 0.000 0.319 69 R C -0.366 175.950 176.300 0.027 0.000 0.954 69 R CA -0.585 55.524 56.100 0.014 0.000 0.840 69 R CB 1.377 31.680 30.300 0.006 0.000 1.164 69 R HN 0.450 nan 8.270 nan 0.000 0.472 70 I N 4.377 124.970 120.570 0.038 0.000 2.646 70 I HA 0.496 4.666 4.170 0.001 0.000 0.299 70 I C -1.010 175.136 176.117 0.048 0.000 1.036 70 I CA -1.061 60.261 61.300 0.036 0.000 1.074 70 I CB 1.959 39.975 38.000 0.028 0.000 1.258 70 I HN 0.650 nan 8.210 nan 0.000 0.430 71 I N 7.207 127.796 120.570 0.032 0.000 2.433 71 I HA 0.337 4.507 4.170 0.001 0.000 0.292 71 I C -0.745 175.364 176.117 -0.013 0.000 1.001 71 I CA -0.808 60.512 61.300 0.033 0.000 1.119 71 I CB 2.059 40.076 38.000 0.028 0.000 1.289 71 I HN 0.372 nan 8.210 nan 0.000 0.438 72 L N 7.363 128.590 121.223 0.007 0.000 2.264 72 L HA 0.423 4.764 4.340 0.001 0.000 0.287 72 L C -0.211 176.657 176.870 -0.004 0.000 1.039 72 L CA -0.250 54.575 54.840 -0.026 0.000 0.829 72 L CB 0.991 43.084 42.059 0.057 0.000 1.211 72 L HN 0.496 nan 8.230 nan 0.000 0.427 73 L N 4.993 126.187 121.223 -0.048 0.000 2.892 73 L HA 0.367 4.707 4.340 0.001 0.000 0.251 73 L C -0.683 176.163 176.870 -0.039 0.000 1.339 73 L CA -0.178 54.641 54.840 -0.035 0.000 0.900 73 L CB 1.284 43.306 42.059 -0.063 0.000 1.246 73 L HN 0.308 nan 8.230 nan 0.000 0.524 74 V N 1.495 121.407 119.914 -0.005 0.000 2.370 74 V HA 0.266 4.387 4.120 0.001 0.000 0.283 74 V C 0.506 176.629 176.094 0.047 0.000 1.023 74 V CA -0.800 61.517 62.300 0.028 0.000 0.857 74 V CB 1.908 33.789 31.823 0.097 0.000 0.985 74 V HN 0.246 nan 8.190 nan 0.000 0.443 75 K N 4.232 124.652 120.400 0.033 0.000 2.402 75 K HA 0.573 4.893 4.320 0.001 0.000 0.285 75 K C -0.205 176.426 176.600 0.052 0.000 1.054 75 K CA 0.466 56.773 56.287 0.034 0.000 1.001 75 K CB 0.501 33.011 32.500 0.017 0.000 0.946 75 K HN 0.916 nan 8.250 nan 0.000 0.473 76 A N 2.410 125.266 122.820 0.060 0.000 2.544 76 A HA 0.636 4.957 4.320 0.001 0.000 0.291 76 A C -0.090 177.532 177.584 0.063 0.000 1.055 76 A CA -0.161 51.916 52.037 0.067 0.000 0.651 76 A CB 0.781 19.832 19.000 0.087 0.000 1.296 76 A HN 0.593 nan 8.150 nan 0.000 0.431 77 G N -1.031 107.801 108.800 0.054 0.000 2.449 77 G HA2 0.355 4.316 3.960 0.001 0.000 0.192 77 G HA3 0.355 4.316 3.960 0.001 0.000 0.192 77 G C 1.079 175.996 174.900 0.028 0.000 1.776 77 G CA 1.156 46.277 45.100 0.034 0.000 0.699 77 G HN 0.920 nan 8.290 nan 0.000 0.745 78 Q N 0.959 120.773 119.800 0.022 0.000 2.029 78 Q HA -0.103 4.238 4.340 0.001 0.000 0.209 78 Q C 2.542 178.559 176.000 0.029 0.000 0.999 78 Q CA 3.180 58.992 55.803 0.014 0.000 0.857 78 Q CB -0.908 27.834 28.738 0.006 0.000 0.926 78 Q HN 0.480 nan 8.270 nan 0.000 0.415 79 A N -0.551 122.300 122.820 0.052 0.000 2.032 79 A HA -0.182 4.138 4.320 0.001 0.000 0.221 79 A C 2.289 179.981 177.584 0.181 0.000 1.165 79 A CA 1.794 53.885 52.037 0.090 0.000 0.645 79 A CB -0.837 18.237 19.000 0.124 0.000 0.807 79 A HN 0.317 nan 8.150 nan 0.000 0.453 80 V N 0.238 120.250 119.914 0.163 0.000 2.270 80 V HA -0.218 3.903 4.120 0.001 0.000 0.245 80 V C 2.209 178.397 176.094 0.158 0.000 1.043 80 V CA 2.125 64.546 62.300 0.201 0.000 1.014 80 V CB -0.731 31.182 31.823 0.150 0.000 0.645 80 V HN 0.525 nan 8.190 nan 0.000 0.447 81 D N 0.304 120.743 120.400 0.066 0.000 2.133 81 D HA -0.196 4.444 4.640 0.001 0.000 0.195 81 D C 1.995 178.305 176.300 0.017 0.000 0.997 81 D CA 1.747 55.756 54.000 0.016 0.000 0.840 81 D CB -0.401 40.388 40.800 -0.018 0.000 0.947 81 D HN 0.588 nan 8.370 nan 0.000 0.452 82 N N -0.369 118.328 118.700 -0.005 0.000 2.104 82 N HA -0.152 4.589 4.740 0.001 0.000 0.190 82 N C 1.815 177.263 175.510 -0.104 0.000 1.024 82 N CA 0.625 53.624 53.050 -0.085 0.000 0.853 82 N CB -0.196 38.194 38.487 -0.161 0.000 1.008 82 N HN 0.063 nan 8.380 nan 0.000 0.424 83 F N 1.557 121.534 119.950 0.045 0.000 2.186 83 F HA -0.007 4.521 4.527 0.001 0.000 0.299 83 F C 2.085 177.915 175.800 0.050 0.000 1.090 83 F CA 0.732 58.770 58.000 0.063 0.000 1.307 83 F CB -0.305 38.748 39.000 0.088 0.000 1.019 83 F HN -0.007 nan 8.300 nan 0.000 0.489 84 I N -0.695 120.003 120.570 0.213 0.000 2.286 84 I HA -0.248 3.923 4.170 0.001 0.000 0.248 84 I C 2.287 178.444 176.117 0.067 0.000 1.115 84 I CA 1.147 62.519 61.300 0.121 0.000 1.392 84 I CB -0.437 37.583 38.000 0.033 0.000 1.065 84 I HN 0.042 nan 8.210 nan 0.000 0.418 85 E N 1.439 121.661 120.200 0.037 0.000 2.023 85 E HA -0.243 4.107 4.350 0.001 0.000 0.196 85 E C 2.074 178.683 176.600 0.017 0.000 1.003 85 E CA 1.633 58.037 56.400 0.005 0.000 0.809 85 E CB 0.044 29.730 29.700 -0.023 0.000 0.755 85 E HN 0.165 nan 8.360 nan 0.000 0.449 86 K N -0.056 120.358 120.400 0.024 0.000 1.991 86 K HA -0.101 4.220 4.320 0.001 0.000 0.212 86 K C 2.111 178.747 176.600 0.059 0.000 1.049 86 K CA 1.278 57.586 56.287 0.035 0.000 0.932 86 K CB -0.485 32.046 32.500 0.052 0.000 0.717 86 K HN 0.101 nan 8.250 nan 0.000 0.441 87 L N 0.083 121.366 121.223 0.101 0.000 2.079 87 L HA -0.208 4.133 4.340 0.001 0.000 0.210 87 L C 2.131 179.033 176.870 0.053 0.000 1.081 87 L CA 0.859 55.750 54.840 0.084 0.000 0.752 87 L CB -0.458 41.671 42.059 0.117 0.000 0.896 87 L HN 0.002 nan 8.230 nan 0.000 0.433 88 V N -0.422 119.519 119.914 0.046 0.000 2.343 88 V HA -0.174 3.947 4.120 0.001 0.000 0.247 88 V C 0.044 176.151 176.094 0.021 0.000 1.051 88 V CA 1.765 64.084 62.300 0.032 0.000 1.036 88 V CB -1.719 30.117 31.823 0.022 0.000 0.654 88 V HN 0.322 nan 8.190 nan 0.000 0.451 89 P HA -0.201 nan 4.420 nan 0.000 0.219 89 P C 1.697 179.002 177.300 0.008 0.000 1.158 89 P CA 1.551 64.656 63.100 0.009 0.000 0.895 89 P CB -0.103 31.601 31.700 0.007 0.000 0.792 90 L N -2.427 118.801 121.223 0.010 0.000 2.552 90 L HA 0.055 4.396 4.340 0.001 0.000 0.227 90 L C 1.066 177.940 176.870 0.006 0.000 1.146 90 L CA 0.863 55.705 54.840 0.004 0.000 0.858 90 L CB -1.111 40.948 42.059 -0.001 0.000 0.969 90 L HN 0.062 nan 8.230 nan 0.000 0.451 91 L N -0.411 120.820 121.223 0.013 0.000 2.329 91 L HA 0.341 4.682 4.340 0.001 0.000 0.279 91 L C 0.125 177.002 176.870 0.011 0.000 1.014 91 L CA -0.748 54.101 54.840 0.014 0.000 0.814 91 L CB 1.902 43.977 42.059 0.027 0.000 1.257 91 L HN -0.051 nan 8.230 nan 0.000 0.424 92 D N 1.973 122.377 120.400 0.006 0.000 2.360 92 D HA 0.267 4.908 4.640 0.001 0.000 0.242 92 D C 0.196 176.501 176.300 0.009 0.000 1.184 92 D CA -0.087 53.916 54.000 0.004 0.000 0.930 92 D CB 1.618 42.416 40.800 -0.004 0.000 1.161 92 D HN 0.276 nan 8.370 nan 0.000 0.447 93 I N 0.605 121.181 120.570 0.009 0.000 2.598 93 I HA 0.101 4.272 4.170 0.001 0.000 0.284 93 I C 1.512 177.637 176.117 0.012 0.000 1.140 93 I CA 0.767 62.075 61.300 0.014 0.000 1.420 93 I CB 0.480 38.487 38.000 0.012 0.000 1.387 93 I HN 0.711 nan 8.210 nan 0.000 0.553 94 G N 4.085 112.899 108.800 0.023 0.000 2.201 94 G HA2 -0.193 3.768 3.960 0.001 0.000 0.212 94 G HA3 -0.193 3.768 3.960 0.001 0.000 0.212 94 G C -0.034 174.875 174.900 0.016 0.000 0.994 94 G CA -0.560 44.554 45.100 0.023 0.000 0.644 94 G HN 0.555 nan 8.290 nan 0.000 0.508 95 D N 0.339 120.750 120.400 0.017 0.000 2.357 95 D HA 0.583 5.224 4.640 0.001 0.000 0.242 95 D C 0.703 177.033 176.300 0.051 0.000 1.153 95 D CA 0.346 54.357 54.000 0.018 0.000 0.918 95 D CB 1.117 41.929 40.800 0.019 0.000 1.181 95 D HN 0.342 nan 8.370 nan 0.000 0.435 96 I N 1.250 121.850 120.570 0.051 0.000 2.509 96 I HA 0.392 4.563 4.170 0.001 0.000 0.293 96 I C -0.271 175.897 176.117 0.085 0.000 1.020 96 I CA -0.587 60.756 61.300 0.071 0.000 1.088 96 I CB 1.715 39.742 38.000 0.046 0.000 1.267 96 I HN 0.051 nan 8.210 nan 0.000 0.430 97 I N 6.607 127.254 120.570 0.127 0.000 2.466 97 I HA 0.469 4.640 4.170 0.001 0.000 0.289 97 I C -0.803 175.342 176.117 0.047 0.000 1.026 97 I CA -0.494 60.898 61.300 0.155 0.000 1.078 97 I CB 1.952 40.133 38.000 0.301 0.000 1.249 97 I HN 0.365 nan 8.210 nan 0.000 0.429 98 I N 4.563 125.144 120.570 0.018 0.000 2.441 98 I HA 0.333 4.503 4.170 0.001 0.000 0.295 98 I C -0.684 175.423 176.117 -0.018 0.000 0.994 98 I CA -0.427 60.833 61.300 -0.065 0.000 1.144 98 I CB 1.820 39.876 38.000 0.093 0.000 1.314 98 I HN 0.479 nan 8.210 nan 0.000 0.445 99 D N 3.705 124.049 120.400 -0.094 0.000 2.440 99 D HA 0.424 5.065 4.640 0.001 0.000 0.239 99 D C 0.730 177.118 176.300 0.147 0.000 1.084 99 D CA -0.455 53.603 54.000 0.096 0.000 0.843 99 D CB 1.721 42.676 40.800 0.258 0.000 1.097 99 D HN 0.640 nan 8.370 nan 0.000 0.531 100 G N 2.542 111.410 108.800 0.113 0.000 2.887 100 G HA2 0.226 4.186 3.960 0.001 0.000 0.211 100 G HA3 0.226 4.186 3.960 0.001 0.000 0.211 100 G C 0.853 175.829 174.900 0.126 0.000 1.152 100 G CA -0.016 45.140 45.100 0.094 0.000 0.769 100 G HN 0.588 nan 8.290 nan 0.000 0.541 101 G N 0.348 109.219 108.800 0.119 0.000 2.614 101 G HA2 0.274 4.235 3.960 0.001 0.000 0.239 101 G HA3 0.274 4.235 3.960 0.001 0.000 0.239 101 G C -0.259 174.710 174.900 0.115 0.000 1.240 101 G CA -0.644 44.510 45.100 0.090 0.000 0.842 101 G HN 0.256 nan 8.290 nan 0.000 0.584 102 N N 0.826 119.587 118.700 0.101 0.000 2.819 102 N HA 0.244 4.985 4.740 0.001 0.000 0.284 102 N C 0.095 175.644 175.510 0.066 0.000 1.196 102 N CA 0.017 53.149 53.050 0.137 0.000 1.114 102 N CB 0.729 39.300 38.487 0.141 0.000 1.437 102 N HN 0.265 nan 8.380 nan 0.000 0.518 103 S N 0.532 116.069 115.700 -0.272 0.000 2.614 103 S HA 0.088 4.559 4.470 0.001 0.000 0.265 103 S C 0.514 174.948 174.600 -0.277 0.000 1.303 103 S CA -0.653 57.358 58.200 -0.314 0.000 1.000 103 S CB 0.792 63.701 63.200 -0.484 0.000 0.935 103 S HN 0.483 nan 8.310 nan 0.000 0.551 104 E N 0.831 120.837 120.200 -0.324 0.000 2.351 104 E HA 0.048 4.399 4.350 0.001 0.000 0.266 104 E C 0.669 177.126 176.600 -0.238 0.000 1.031 104 E CA -0.058 56.041 56.400 -0.502 0.000 0.911 104 E CB 0.096 29.478 29.700 -0.530 0.000 0.986 104 E HN 0.621 nan 8.360 nan 0.000 0.446 105 Y N 4.345 124.545 120.300 -0.166 0.000 2.193 105 Y HA -0.240 4.310 4.550 0.001 0.000 0.285 105 Y C 1.609 177.500 175.900 -0.016 0.000 1.166 105 Y CA 1.404 59.516 58.100 0.021 0.000 1.181 105 Y CB -0.150 38.433 38.460 0.206 0.000 0.976 105 Y HN 0.422 nan 8.280 nan 0.000 0.520 106 R N 0.434 120.636 120.500 -0.497 0.000 2.115 106 R HA -0.103 4.238 4.340 0.001 0.000 0.226 106 R C 1.650 177.844 176.300 -0.177 0.000 1.100 106 R CA 1.249 57.122 56.100 -0.378 0.000 0.980 106 R CB -0.247 29.744 30.300 -0.514 0.000 0.875 106 R HN 0.432 nan 8.270 nan 0.000 0.445 107 D N -0.156 120.137 120.400 -0.177 0.000 2.097 107 D HA -0.112 4.529 4.640 0.001 0.000 0.195 107 D C 1.775 178.050 176.300 -0.041 0.000 0.989 107 D CA 1.531 55.463 54.000 -0.114 0.000 0.827 107 D CB -0.389 40.338 40.800 -0.123 0.000 0.966 107 D HN 0.109 nan 8.370 nan 0.000 0.456 108 T N 1.182 115.760 114.554 0.041 0.000 2.665 108 T HA -0.187 4.164 4.350 0.001 0.000 0.268 108 T C 2.167 176.980 174.700 0.188 0.000 1.035 108 T CA 1.201 63.441 62.100 0.234 0.000 1.151 108 T CB -0.240 68.826 68.868 0.329 0.000 0.862 108 T HN 0.139 nan 8.240 nan 0.000 0.438 109 M N 0.316 119.981 119.600 0.108 0.000 2.082 109 M HA -0.155 4.326 4.480 0.001 0.000 0.258 109 M C 2.517 178.851 176.300 0.056 0.000 1.069 109 M CA 1.718 57.074 55.300 0.093 0.000 1.102 109 M CB -0.340 32.296 32.600 0.060 0.000 1.336 109 M HN 0.128 nan 8.290 nan 0.000 0.404 110 R N 0.388 120.889 120.500 0.001 0.000 2.088 110 R HA -0.169 4.172 4.340 0.001 0.000 0.232 110 R C 2.250 178.506 176.300 -0.073 0.000 1.136 110 R CA 1.956 58.035 56.100 -0.035 0.000 0.926 110 R CB -0.216 30.047 30.300 -0.061 0.000 0.837 110 R HN 0.281 nan 8.270 nan 0.000 0.429 111 R N -0.047 120.361 120.500 -0.155 0.000 2.094 111 R HA -0.228 4.113 4.340 0.001 0.000 0.239 111 R C 2.644 178.752 176.300 -0.320 0.000 1.137 111 R CA 1.840 57.719 56.100 -0.368 0.000 0.943 111 R CB -1.007 28.858 30.300 -0.726 0.000 0.850 111 R HN 0.448 nan 8.270 nan 0.000 0.433 112 C N 0.865 120.128 119.300 -0.063 0.000 2.393 112 C HA -0.146 4.315 4.460 0.001 0.000 0.276 112 C C 2.628 177.677 174.990 0.099 0.000 1.215 112 C CA 1.100 60.240 59.018 0.203 0.000 1.743 112 C CB -0.792 27.137 27.740 0.316 0.000 2.044 112 C HN 0.421 nan 8.230 nan 0.000 0.464 113 R N 0.506 121.042 120.500 0.060 0.000 2.080 113 R HA -0.141 4.199 4.340 0.001 0.000 0.236 113 R C 1.790 178.103 176.300 0.020 0.000 1.137 113 R CA 2.427 58.555 56.100 0.047 0.000 0.943 113 R CB -0.623 29.699 30.300 0.037 0.000 0.846 113 R HN 0.591 nan 8.270 nan 0.000 0.431 114 D N 0.377 120.767 120.400 -0.017 0.000 2.123 114 D HA -0.152 4.489 4.640 0.001 0.000 0.196 114 D C 1.790 178.078 176.300 -0.020 0.000 0.992 114 D CA 1.082 55.065 54.000 -0.029 0.000 0.833 114 D CB -0.128 40.634 40.800 -0.064 0.000 0.954 114 D HN 0.040 nan 8.370 nan 0.000 0.455 115 L N 0.486 121.693 121.223 -0.027 0.000 2.072 115 L HA -0.049 4.292 4.340 0.001 0.000 0.205 115 L C 2.175 179.074 176.870 0.049 0.000 1.079 115 L CA 1.277 56.124 54.840 0.011 0.000 0.752 115 L CB -0.461 41.613 42.059 0.025 0.000 0.906 115 L HN -0.058 nan 8.230 nan 0.000 0.436 116 K N -0.146 120.294 120.400 0.066 0.000 2.103 116 K HA -0.272 4.049 4.320 0.001 0.000 0.207 116 K C 1.827 178.454 176.600 0.045 0.000 1.048 116 K CA 2.002 58.330 56.287 0.068 0.000 0.930 116 K CB -0.148 32.398 32.500 0.077 0.000 0.716 116 K HN 0.316 nan 8.250 nan 0.000 0.444 117 D N 0.513 120.933 120.400 0.034 0.000 2.097 117 D HA -0.129 4.512 4.640 0.001 0.000 0.195 117 D C 0.786 177.098 176.300 0.020 0.000 0.989 117 D CA 1.420 55.434 54.000 0.023 0.000 0.827 117 D CB 0.167 40.976 40.800 0.015 0.000 0.966 117 D HN 0.144 nan 8.370 nan 0.000 0.456 118 K N -0.879 119.533 120.400 0.019 0.000 2.551 118 K HA 0.284 4.605 4.320 0.001 0.000 0.204 118 K C 1.042 177.658 176.600 0.026 0.000 1.033 118 K CA 0.415 56.712 56.287 0.018 0.000 1.187 118 K CB 0.401 32.909 32.500 0.012 0.000 0.900 118 K HN 0.293 nan 8.250 nan 0.000 0.499 119 G N 1.384 110.203 108.800 0.032 0.000 2.212 119 G HA2 -0.296 3.665 3.960 0.001 0.000 0.266 119 G HA3 -0.296 3.665 3.960 0.001 0.000 0.266 119 G C 0.231 175.158 174.900 0.046 0.000 0.978 119 G CA -0.034 45.087 45.100 0.035 0.000 0.632 119 G HN 0.330 nan 8.290 nan 0.000 0.537 120 I N 1.068 121.673 120.570 0.058 0.000 2.396 120 I HA 0.385 4.555 4.170 0.001 0.000 0.292 120 I C 0.129 176.314 176.117 0.113 0.000 0.999 120 I CA -1.047 60.301 61.300 0.079 0.000 1.310 120 I CB 1.239 39.289 38.000 0.082 0.000 1.404 120 I HN -0.126 nan 8.210 nan 0.000 0.496 121 L N 7.298 128.593 121.223 0.121 0.000 2.261 121 L HA 0.295 4.636 4.340 0.001 0.000 0.289 121 L C -0.442 176.552 176.870 0.206 0.000 1.059 121 L CA 0.250 55.174 54.840 0.141 0.000 0.816 121 L CB 0.044 42.162 42.059 0.098 0.000 1.191 121 L HN 0.304 nan 8.230 nan 0.000 0.431 122 F N 4.831 124.833 119.950 0.086 0.000 2.421 122 F HA 0.714 5.241 4.527 0.001 0.000 0.337 122 F C -0.400 175.473 175.800 0.122 0.000 1.105 122 F CA -0.797 57.259 58.000 0.092 0.000 1.049 122 F CB 1.594 40.641 39.000 0.078 0.000 1.139 122 F HN 0.169 nan 8.300 nan 0.000 0.479 123 V N 5.468 125.032 119.914 -0.584 0.000 2.686 123 V HA 0.886 5.006 4.120 0.001 0.000 0.306 123 V C -0.880 174.721 176.094 -0.822 0.000 1.065 123 V CA -0.156 61.875 62.300 -0.447 0.000 0.894 123 V CB 1.525 33.320 31.823 -0.047 0.000 1.004 123 V HN 1.053 nan 8.190 nan 0.000 0.424 124 G N 4.038 112.469 108.800 -0.616 0.000 2.470 124 G HA2 0.703 4.664 3.960 0.001 0.000 0.320 124 G HA3 0.703 4.664 3.960 0.001 0.000 0.320 124 G C -0.602 173.968 174.900 -0.549 0.000 1.245 124 G CA -0.152 44.710 45.100 -0.398 0.000 0.935 124 G HN 1.374 nan 8.290 nan 0.000 0.476 125 S N 0.645 116.081 115.700 -0.440 0.000 2.548 125 S HA 0.804 5.274 4.470 0.001 0.000 0.286 125 S C 0.165 174.557 174.600 -0.345 0.000 1.098 125 S CA -0.671 57.295 58.200 -0.391 0.000 0.930 125 S CB 2.032 65.222 63.200 -0.015 0.000 1.070 125 S HN 0.988 nan 8.310 nan 0.000 0.480 126 G N 0.497 109.124 108.800 -0.290 0.000 2.415 126 G HA2 0.534 4.495 3.960 0.001 0.000 0.269 126 G HA3 0.534 4.495 3.960 0.001 0.000 0.269 126 G C -0.879 173.978 174.900 -0.072 0.000 1.209 126 G CA -0.551 44.496 45.100 -0.087 0.000 0.835 126 G HN 0.737 nan 8.290 nan 0.000 0.534 127 V N 0.784 120.675 119.914 -0.039 0.000 2.604 127 V HA 0.741 4.862 4.120 0.001 0.000 0.305 127 V C 0.040 176.101 176.094 -0.056 0.000 1.043 127 V CA -0.633 61.621 62.300 -0.075 0.000 0.888 127 V CB 1.747 33.520 31.823 -0.083 0.000 0.995 127 V HN 0.855 nan 8.190 nan 0.000 0.429 128 S N 2.045 117.699 115.700 -0.077 0.000 2.541 128 S HA 0.777 5.248 4.470 0.001 0.000 0.271 128 S C 0.289 174.859 174.600 -0.050 0.000 1.133 128 S CA 0.502 58.669 58.200 -0.055 0.000 0.876 128 S CB 1.798 64.908 63.200 -0.150 0.000 1.105 128 S HN 1.689 nan 8.310 nan 0.000 0.470 129 G N 1.478 110.267 108.800 -0.018 0.000 2.370 129 G HA2 0.368 4.329 3.960 0.001 0.000 0.174 129 G HA3 0.368 4.329 3.960 0.001 0.000 0.174 129 G C 1.238 176.121 174.900 -0.028 0.000 1.002 129 G CA 0.598 45.675 45.100 -0.038 0.000 0.730 129 G HN 2.070 nan 8.290 nan 0.000 0.497 130 G N 0.653 109.446 108.800 -0.012 0.000 2.645 130 G HA2 -0.039 3.922 3.960 0.001 0.000 0.239 130 G HA3 -0.039 3.922 3.960 0.001 0.000 0.239 130 G C 0.825 175.705 174.900 -0.032 0.000 1.331 130 G CA 0.961 46.054 45.100 -0.011 0.000 0.890 130 G HN 1.319 nan 8.290 nan 0.000 0.572 131 E N -0.023 120.160 120.200 -0.029 0.000 2.051 131 E HA -0.046 4.304 4.350 0.001 0.000 0.189 131 E C 1.930 178.494 176.600 -0.059 0.000 0.979 131 E CA 1.432 57.804 56.400 -0.047 0.000 0.803 131 E CB -0.268 29.410 29.700 -0.037 0.000 0.761 131 E HN 0.645 nan 8.360 nan 0.000 0.451 132 D N 1.754 122.138 120.400 -0.027 0.000 2.144 132 D HA -0.132 4.508 4.640 0.001 0.000 0.199 132 D C 2.090 178.379 176.300 -0.018 0.000 0.984 132 D CA 1.404 55.400 54.000 -0.007 0.000 0.834 132 D CB -0.897 39.934 40.800 0.052 0.000 0.955 132 D HN 0.278 nan 8.370 nan 0.000 0.465 133 G N 1.165 109.945 108.800 -0.033 0.000 2.480 133 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 133 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 133 G C 1.902 176.765 174.900 -0.062 0.000 1.200 133 G CA 2.036 47.110 45.100 -0.042 0.000 0.782 133 G HN 0.519 nan 8.290 nan 0.000 0.554 134 A N 0.821 123.590 122.820 -0.085 0.000 1.915 134 A HA -0.224 4.097 4.320 0.001 0.000 0.220 134 A C 2.359 179.855 177.584 -0.147 0.000 1.198 134 A CA 2.652 54.623 52.037 -0.110 0.000 0.647 134 A CB -0.540 18.397 19.000 -0.104 0.000 0.825 134 A HN 0.347 nan 8.150 nan 0.000 0.456 135 R N -1.576 118.789 120.500 -0.224 0.000 2.080 135 R HA -0.147 4.194 4.340 0.001 0.000 0.236 135 R C 1.212 177.209 176.300 -0.506 0.000 1.137 135 R CA 2.205 58.032 56.100 -0.455 0.000 0.943 135 R CB -0.587 29.270 30.300 -0.739 0.000 0.846 135 R HN 0.612 nan 8.270 nan 0.000 0.431 136 Y N -2.562 117.753 120.300 0.024 0.000 2.500 136 Y HA 0.490 5.041 4.550 0.001 0.000 0.246 136 Y C 0.194 176.115 175.900 0.035 0.000 1.146 136 Y CA -0.044 58.084 58.100 0.046 0.000 1.230 136 Y CB 1.477 39.957 38.460 0.035 0.000 1.214 136 Y HN 0.212 nan 8.280 nan 0.000 0.526 137 G N 1.793 110.646 108.800 0.088 0.000 2.936 137 G HA2 0.077 4.037 3.960 0.001 0.000 0.227 137 G HA3 0.077 4.037 3.960 0.001 0.000 0.227 137 G C -3.268 171.628 174.900 -0.008 0.000 3.708 137 G CA -0.937 44.189 45.100 0.043 0.000 0.519 137 G HN -0.205 nan 8.290 nan 0.000 0.369 138 P HA 0.355 nan 4.420 nan 0.000 0.275 138 P C 0.295 177.560 177.300 -0.059 0.000 1.228 138 P CA 0.104 63.161 63.100 -0.072 0.000 0.786 138 P CB 1.478 33.109 31.700 -0.115 0.000 0.927 139 S N 1.780 117.449 115.700 -0.053 0.000 2.565 139 S HA 0.398 4.868 4.470 0.001 0.000 0.276 139 S C 0.265 174.826 174.600 -0.065 0.000 1.326 139 S CA -0.419 57.761 58.200 -0.033 0.000 1.045 139 S CB 0.031 63.219 63.200 -0.020 0.000 0.918 139 S HN 0.316 nan 8.310 nan 0.000 0.505 140 L N 2.757 123.952 121.223 -0.047 0.000 2.386 140 L HA 0.535 4.876 4.340 0.001 0.000 0.271 140 L C -0.757 176.093 176.870 -0.033 0.000 0.993 140 L CA -0.405 54.399 54.840 -0.060 0.000 0.819 140 L CB 1.748 43.758 42.059 -0.081 0.000 1.294 140 L HN 0.561 nan 8.230 nan 0.000 0.414 141 M N 5.025 124.578 119.600 -0.079 0.000 2.126 141 M HA 0.284 4.765 4.480 0.001 0.000 0.217 141 M C -2.634 173.485 176.300 -0.302 0.000 0.873 141 M CA -1.381 53.817 55.300 -0.171 0.000 0.707 141 M CB 1.543 34.062 32.600 -0.133 0.000 1.515 141 M HN 0.153 nan 8.290 nan 0.000 0.369 142 P HA 0.488 nan 4.420 nan 0.000 0.284 142 P C -0.392 176.182 177.300 -1.210 0.000 1.253 142 P CA 0.124 62.898 63.100 -0.543 0.000 0.800 142 P CB 1.946 33.503 31.700 -0.237 0.000 0.961 143 G N 0.181 108.249 108.800 -1.219 0.000 2.695 143 G HA2 0.713 4.674 3.960 0.001 0.000 0.290 143 G HA3 0.713 4.674 3.960 0.001 0.000 0.290 143 G C -0.532 173.857 174.900 -0.852 0.000 1.410 143 G CA -0.355 43.877 45.100 -1.447 0.000 0.844 143 G HN 0.780 nan 8.290 nan 0.000 0.478 144 G N -0.174 108.375 108.800 -0.418 0.000 2.178 144 G HA2 -0.058 3.903 3.960 0.001 0.000 0.147 144 G HA3 -0.058 3.903 3.960 0.001 0.000 0.147 144 G C -0.474 174.641 174.900 0.358 0.000 1.245 144 G CA -0.132 44.994 45.100 0.043 0.000 1.275 144 G HN 1.024 nan 8.290 nan 0.000 0.491 145 N N 1.062 119.996 118.700 0.390 0.000 2.482 145 N HA 0.352 5.093 4.740 0.001 0.000 0.242 145 N C 1.241 176.803 175.510 0.086 0.000 1.100 145 N CA -0.009 53.194 53.050 0.255 0.000 0.946 145 N CB 0.649 39.244 38.487 0.180 0.000 1.227 145 N HN 0.562 nan 8.380 nan 0.000 0.508 146 K N 2.062 122.419 120.400 -0.072 0.000 2.362 146 K HA -0.206 4.115 4.320 0.001 0.000 0.202 146 K C 1.055 177.349 176.600 -0.509 0.000 1.045 146 K CA 1.231 57.080 56.287 -0.730 0.000 0.936 146 K CB 0.180 32.358 32.500 -0.538 0.000 0.747 146 K HN 0.625 nan 8.250 nan 0.000 0.467 147 E N -0.363 119.689 120.200 -0.248 0.000 2.118 147 E HA -0.226 4.125 4.350 0.001 0.000 0.195 147 E C 1.815 178.275 176.600 -0.234 0.000 0.992 147 E CA 1.150 57.433 56.400 -0.195 0.000 0.804 147 E CB -0.079 29.576 29.700 -0.075 0.000 0.741 147 E HN 0.450 nan 8.360 nan 0.000 0.458 148 A N 1.274 123.993 122.820 -0.169 0.000 1.930 148 A HA -0.183 4.138 4.320 0.001 0.000 0.217 148 A C 1.876 179.343 177.584 -0.196 0.000 1.175 148 A CA 0.874 52.857 52.037 -0.091 0.000 0.627 148 A CB -1.058 17.943 19.000 0.002 0.000 0.815 148 A HN 0.623 nan 8.150 nan 0.000 0.443 149 W N 1.949 122.874 121.300 -0.625 0.000 2.304 149 W HA -0.192 4.468 4.660 -0.000 0.000 0.315 149 W C -1.043 175.221 176.519 -0.425 0.000 1.233 149 W CA 2.078 59.049 57.345 -0.624 0.000 1.261 149 W CB -0.830 28.001 29.460 -1.048 0.000 1.150 149 W HN 0.326 nan 8.180 nan 0.000 0.494 150 P HA -0.185 nan 4.420 nan 0.000 0.220 150 P C 0.648 177.641 177.300 -0.513 0.000 1.148 150 P CA 1.884 64.572 63.100 -0.687 0.000 0.803 150 P CB -0.519 30.853 31.700 -0.547 0.000 0.782 151 H N -0.214 118.684 119.070 -0.288 0.000 2.470 151 H HA 0.076 4.633 4.556 0.001 0.000 0.289 151 H C 2.078 177.275 175.328 -0.219 0.000 1.033 151 H CA 0.802 56.727 56.048 -0.204 0.000 1.331 151 H CB -0.152 29.527 29.762 -0.138 0.000 1.414 151 H HN 0.225 nan 8.280 nan 0.000 0.545 152 I N -1.968 118.482 120.570 -0.199 0.000 3.854 152 I HA 0.108 4.278 4.170 0.001 0.000 0.312 152 I C 1.975 177.885 176.117 -0.344 0.000 1.273 152 I CA 0.082 61.227 61.300 -0.258 0.000 1.298 152 I CB 0.115 37.869 38.000 -0.410 0.000 1.071 152 I HN -0.077 nan 8.210 nan 0.000 0.428 153 K N 2.191 122.216 120.400 -0.625 0.000 2.066 153 K HA -0.315 4.006 4.320 0.001 0.000 0.221 153 K C 2.183 178.561 176.600 -0.369 0.000 1.056 153 K CA 2.775 58.512 56.287 -0.917 0.000 0.950 153 K CB -0.293 31.575 32.500 -1.054 0.000 0.726 153 K HN 0.555 nan 8.250 nan 0.000 0.456 154 A N 0.752 123.445 122.820 -0.213 0.000 1.898 154 A HA -0.127 4.193 4.320 0.001 0.000 0.216 154 A C 2.099 179.694 177.584 0.018 0.000 1.181 154 A CA 1.639 53.661 52.037 -0.024 0.000 0.620 154 A CB -0.501 18.546 19.000 0.077 0.000 0.819 154 A HN 0.363 nan 8.150 nan 0.000 0.442 155 I N -1.968 118.497 120.570 -0.175 0.000 2.110 155 I HA -0.212 3.958 4.170 0.001 0.000 0.236 155 I C 2.307 178.364 176.117 -0.100 0.000 1.068 155 I CA 1.401 62.410 61.300 -0.484 0.000 1.333 155 I CB -0.615 37.069 38.000 -0.527 0.000 1.054 155 I HN 0.238 nan 8.210 nan 0.000 0.402 156 F N 1.390 121.235 119.950 -0.175 0.000 2.091 156 F HA -0.262 4.267 4.527 0.002 0.000 0.299 156 F C 2.765 178.560 175.800 -0.007 0.000 1.103 156 F CA 1.642 59.614 58.000 -0.046 0.000 1.228 156 F CB -0.794 38.278 39.000 0.118 0.000 0.984 156 F HN 0.155 nan 8.300 nan 0.000 0.477 157 Q N -1.006 118.921 119.800 0.211 0.000 2.245 157 Q HA -0.012 4.329 4.340 0.001 0.000 0.201 157 Q C 2.564 178.606 176.000 0.070 0.000 0.955 157 Q CA 0.938 56.830 55.803 0.149 0.000 0.870 157 Q CB -0.546 28.279 28.738 0.145 0.000 0.945 157 Q HN 0.494 nan 8.270 nan 0.000 0.461 158 G N 1.964 110.794 108.800 0.050 0.000 2.402 158 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 158 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 158 G C 1.529 176.282 174.900 -0.246 0.000 1.162 158 G CA 0.781 45.904 45.100 0.038 0.000 0.777 158 G HN 0.476 nan 8.290 nan 0.000 0.539 159 I N -0.793 119.586 120.570 -0.318 0.000 2.928 159 I HA 0.445 4.616 4.170 0.001 0.000 0.266 159 I C 1.546 177.550 176.117 -0.187 0.000 1.234 159 I CA -0.055 60.999 61.300 -0.409 0.000 1.483 159 I CB -0.290 37.524 38.000 -0.310 0.000 1.097 159 I HN 0.101 nan 8.210 nan 0.000 0.455 160 A N 2.016 124.777 122.820 -0.098 0.000 2.507 160 A HA 0.520 4.841 4.320 0.001 0.000 0.235 160 A C 0.817 178.402 177.584 0.002 0.000 1.070 160 A CA 0.271 52.287 52.037 -0.035 0.000 0.768 160 A CB -0.139 18.876 19.000 0.025 0.000 1.011 160 A HN 0.590 nan 8.150 nan 0.000 0.502 161 A N 1.385 124.212 122.820 0.012 0.000 2.445 161 A HA 0.493 4.814 4.320 0.001 0.000 0.242 161 A C 0.313 177.925 177.584 0.048 0.000 1.075 161 A CA 0.216 52.273 52.037 0.035 0.000 0.777 161 A CB 0.014 19.029 19.000 0.026 0.000 1.013 161 A HN 0.727 nan 8.150 nan 0.000 0.493 162 K N 0.816 121.249 120.400 0.056 0.000 2.345 162 K HA 0.523 4.844 4.320 0.001 0.000 0.255 162 K C -1.152 175.479 176.600 0.051 0.000 0.934 162 K CA -0.587 55.734 56.287 0.057 0.000 0.801 162 K CB 2.197 34.735 32.500 0.064 0.000 1.137 162 K HN 0.455 nan 8.250 nan 0.000 0.424 163 V N 2.295 122.238 119.914 0.049 0.000 2.546 163 V HA 0.177 4.298 4.120 0.001 0.000 0.284 163 V C 1.757 177.874 176.094 0.039 0.000 1.050 163 V CA -0.061 62.266 62.300 0.046 0.000 0.981 163 V CB 0.838 32.690 31.823 0.047 0.000 0.990 163 V HN 1.069 nan 8.190 nan 0.000 0.474 164 G N 4.337 113.159 108.800 0.036 0.000 3.081 164 G HA2 -0.416 3.544 3.960 0.001 0.000 0.282 164 G HA3 -0.416 3.544 3.960 0.001 0.000 0.282 164 G C 1.026 175.941 174.900 0.025 0.000 1.102 164 G CA 1.987 47.105 45.100 0.029 0.000 0.851 164 G HN 1.059 nan 8.290 nan 0.000 0.691 165 T N -1.550 113.018 114.554 0.024 0.000 3.406 165 T HA 0.467 4.818 4.350 0.001 0.000 0.244 165 T C 1.718 176.435 174.700 0.027 0.000 0.949 165 T CA 0.615 62.728 62.100 0.022 0.000 0.926 165 T CB -0.047 68.832 68.868 0.017 0.000 1.089 165 T HN 1.786 nan 8.240 nan 0.000 0.604 166 G N 1.309 110.129 108.800 0.033 0.000 2.186 166 G HA2 -0.279 3.682 3.960 0.001 0.000 0.266 166 G HA3 -0.279 3.682 3.960 0.001 0.000 0.266 166 G C -0.225 174.703 174.900 0.046 0.000 0.982 166 G CA 0.197 45.321 45.100 0.039 0.000 0.670 166 G HN 0.637 nan 8.290 nan 0.000 0.533 167 E N 1.531 121.758 120.200 0.045 0.000 2.283 167 E HA 0.481 4.832 4.350 0.001 0.000 0.278 167 E C -1.689 174.946 176.600 0.058 0.000 1.027 167 E CA -1.963 54.468 56.400 0.052 0.000 0.843 167 E CB 0.958 30.686 29.700 0.046 0.000 1.062 167 E HN 0.279 nan 8.360 nan 0.000 0.401 168 P HA -0.038 nan 4.420 nan 0.000 0.269 168 P C -0.431 176.909 177.300 0.066 0.000 1.209 168 P CA -0.233 62.911 63.100 0.074 0.000 0.776 168 P CB 0.616 32.373 31.700 0.095 0.000 0.876 169 C N 3.241 122.574 119.300 0.056 0.000 2.700 169 C HA 0.396 4.857 4.460 0.001 0.000 0.529 169 C C 0.731 175.746 174.990 0.043 0.000 1.093 169 C CA -0.258 58.788 59.018 0.047 0.000 1.320 169 C CB -1.965 25.805 27.740 0.050 0.000 1.478 169 C HN 0.655 nan 8.230 nan 0.000 0.598 170 C N 2.612 121.949 119.300 0.062 0.000 3.135 170 C HA 0.602 5.063 4.460 0.001 0.000 0.428 170 C C -2.004 173.064 174.990 0.130 0.000 0.972 170 C CA -0.169 58.906 59.018 0.094 0.000 1.218 170 C CB 0.441 28.288 27.740 0.180 0.000 1.595 170 C HN 0.719 nan 8.230 nan 0.000 0.576 171 D N 3.173 123.575 120.400 0.003 0.000 2.655 171 D HA 0.294 4.935 4.640 0.001 0.000 0.229 171 D C -1.125 174.928 176.300 -0.413 0.000 1.229 171 D CA -0.210 53.752 54.000 -0.063 0.000 0.807 171 D CB 1.527 42.313 40.800 -0.024 0.000 1.514 171 D HN 0.784 nan 8.370 nan 0.000 0.444 172 W N 3.948 124.573 121.300 -1.125 0.000 2.347 172 W HA 0.075 4.736 4.660 0.002 0.000 0.333 172 W C 0.164 176.307 176.519 -0.627 0.000 1.383 172 W CA -0.169 56.483 57.345 -1.155 0.000 1.283 172 W CB 0.832 29.336 29.460 -1.593 0.000 1.253 172 W HN 0.198 nan 8.180 nan 0.000 0.563 173 V N 6.190 125.554 119.914 -0.917 0.000 2.331 173 V HA 0.217 4.338 4.120 0.001 0.000 0.242 173 V C 1.203 176.866 176.094 -0.718 0.000 1.034 173 V CA 1.843 63.718 62.300 -0.708 0.000 1.027 173 V CB -0.646 30.768 31.823 -0.681 0.000 0.667 173 V HN 0.826 nan 8.190 nan 0.000 0.457 174 G N -1.023 107.154 108.800 -1.039 0.000 2.323 174 G HA2 0.228 4.189 3.960 0.001 0.000 0.291 174 G HA3 0.228 4.189 3.960 0.001 0.000 0.291 174 G C -2.140 172.407 174.900 -0.588 0.000 1.278 174 G CA -0.650 44.086 45.100 -0.607 0.000 0.860 174 G HN 0.169 nan 8.290 nan 0.000 0.504 175 D N 0.571 120.776 120.400 -0.324 0.000 2.360 175 D HA 0.410 5.050 4.640 0.001 0.000 0.242 175 D C 1.358 177.518 176.300 -0.234 0.000 1.184 175 D CA 1.007 54.946 54.000 -0.103 0.000 0.930 175 D CB 0.732 41.627 40.800 0.159 0.000 1.161 175 D HN 0.712 nan 8.370 nan 0.000 0.447 176 D N 0.302 120.699 120.400 -0.004 0.000 3.436 176 D HA -0.347 4.294 4.640 0.001 0.000 0.497 176 D C 1.472 177.745 176.300 -0.045 0.000 0.593 176 D CA 2.076 56.107 54.000 0.051 0.000 1.443 176 D CB -1.008 39.888 40.800 0.159 0.000 0.420 176 D HN 0.516 nan 8.370 nan 0.000 0.305 177 G N -0.768 108.016 108.800 -0.027 0.000 2.986 177 G HA2 0.381 4.342 3.960 0.001 0.000 0.213 177 G HA3 0.381 4.342 3.960 0.001 0.000 0.213 177 G C 1.484 176.158 174.900 -0.376 0.000 1.156 177 G CA 0.777 45.869 45.100 -0.013 0.000 0.763 177 G HN 0.686 nan 8.290 nan 0.000 0.547 178 A N 1.127 123.292 122.820 -1.090 0.000 1.927 178 A HA 0.006 4.327 4.320 0.001 0.000 0.220 178 A C 2.585 179.724 177.584 -0.742 0.000 1.185 178 A CA 2.344 53.445 52.037 -1.560 0.000 0.639 178 A CB -0.895 17.078 19.000 -1.711 0.000 0.820 178 A HN 0.474 nan 8.150 nan 0.000 0.451 179 G N -2.037 106.381 108.800 -0.636 0.000 2.394 179 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 179 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 179 G C 1.533 176.238 174.900 -0.324 0.000 1.176 179 G CA 0.976 45.764 45.100 -0.520 0.000 0.786 179 G HN 0.619 nan 8.290 nan 0.000 0.533 180 H N -0.782 118.217 119.070 -0.118 0.000 2.421 180 H HA 0.004 4.561 4.556 0.001 0.000 0.298 180 H C 2.111 177.500 175.328 0.101 0.000 1.087 180 H CA 0.868 56.926 56.048 0.016 0.000 1.330 180 H CB -0.242 29.554 29.762 0.056 0.000 1.388 180 H HN 0.389 nan 8.280 nan 0.000 0.526 181 F N 0.393 120.357 119.950 0.022 0.000 2.128 181 F HA -0.132 4.397 4.527 0.002 0.000 0.295 181 F C 2.437 178.253 175.800 0.027 0.000 1.100 181 F CA 0.645 58.644 58.000 -0.000 0.000 1.260 181 F CB -0.486 38.486 39.000 -0.048 0.000 1.009 181 F HN -0.165 nan 8.300 nan 0.000 0.476 182 V N 0.911 120.971 119.914 0.244 0.000 2.282 182 V HA -0.364 3.757 4.120 0.001 0.000 0.249 182 V C 2.465 178.714 176.094 0.258 0.000 1.057 182 V CA 2.313 64.755 62.300 0.237 0.000 1.032 182 V CB -0.697 31.162 31.823 0.059 0.000 0.645 182 V HN 0.281 nan 8.190 nan 0.000 0.447 183 K N 1.293 121.784 120.400 0.152 0.000 2.020 183 K HA -0.248 4.073 4.320 0.001 0.000 0.212 183 K C 2.002 178.674 176.600 0.120 0.000 1.050 183 K CA 2.797 59.170 56.287 0.143 0.000 0.929 183 K CB -0.666 31.912 32.500 0.131 0.000 0.714 183 K HN 0.616 nan 8.250 nan 0.000 0.443 184 M N -1.300 118.341 119.600 0.068 0.000 2.476 184 M HA 0.064 4.544 4.480 0.001 0.000 0.262 184 M C 1.509 177.704 176.300 -0.175 0.000 1.079 184 M CA 1.229 56.519 55.300 -0.018 0.000 1.104 184 M CB -0.178 32.483 32.600 0.102 0.000 1.409 184 M HN -0.099 nan 8.290 nan 0.000 0.467 185 V N 0.716 120.519 119.914 -0.183 0.000 2.548 185 V HA -0.221 3.900 4.120 0.001 0.000 0.249 185 V C 2.655 178.549 176.094 -0.333 0.000 1.055 185 V CA 2.168 64.333 62.300 -0.225 0.000 1.065 185 V CB -1.333 30.443 31.823 -0.078 0.000 0.681 185 V HN 0.708 nan 8.190 nan 0.000 0.462 186 H N 1.722 120.520 119.070 -0.453 0.000 2.267 186 H HA -0.191 4.366 4.556 0.001 0.000 0.297 186 H C 2.101 177.104 175.328 -0.542 0.000 1.080 186 H CA 2.619 58.172 56.048 -0.825 0.000 1.278 186 H CB -0.335 28.969 29.762 -0.763 0.000 1.365 186 H HN 0.420 nan 8.280 nan 0.000 0.489 187 N N -0.142 118.153 118.700 -0.675 0.000 2.166 187 N HA -0.073 4.667 4.740 0.001 0.000 0.186 187 N C 2.141 177.284 175.510 -0.612 0.000 1.019 187 N CA 1.247 53.920 53.050 -0.628 0.000 0.856 187 N CB -0.697 37.539 38.487 -0.418 0.000 0.993 187 N HN 0.575 nan 8.380 nan 0.000 0.426 188 G N 1.013 109.478 108.800 -0.558 0.000 2.459 188 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 188 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 188 G C 1.477 176.154 174.900 -0.372 0.000 1.183 188 G CA 0.658 45.461 45.100 -0.495 0.000 0.776 188 G HN 0.264 nan 8.290 nan 0.000 0.552 189 I N 0.568 120.878 120.570 -0.434 0.000 2.264 189 I HA -0.172 3.998 4.170 0.001 0.000 0.248 189 I C 2.679 178.613 176.117 -0.304 0.000 1.111 189 I CA 1.467 62.504 61.300 -0.439 0.000 1.382 189 I CB -0.206 37.398 38.000 -0.660 0.000 1.060 189 I HN 0.345 nan 8.210 nan 0.000 0.418 190 E N 0.457 120.455 120.200 -0.337 0.000 2.085 190 E HA -0.264 4.087 4.350 0.001 0.000 0.194 190 E C 2.232 178.829 176.600 -0.005 0.000 0.994 190 E CA 1.507 57.796 56.400 -0.185 0.000 0.801 190 E CB -0.056 29.470 29.700 -0.290 0.000 0.743 190 E HN 0.407 nan 8.360 nan 0.000 0.453 191 Y N 0.216 120.387 120.300 -0.214 0.000 2.181 191 Y HA -0.065 4.486 4.550 0.002 0.000 0.288 191 Y C 2.465 178.296 175.900 -0.114 0.000 1.146 191 Y CA 1.248 59.252 58.100 -0.160 0.000 1.164 191 Y CB -1.113 37.243 38.460 -0.173 0.000 0.982 191 Y HN 0.173 nan 8.280 nan 0.000 0.515 192 G N -0.328 108.500 108.800 0.046 0.000 2.446 192 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 192 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 192 G C 1.468 176.394 174.900 0.043 0.000 1.168 192 G CA 1.252 46.363 45.100 0.018 0.000 0.771 192 G HN 0.290 nan 8.290 nan 0.000 0.551 193 D N 0.381 120.803 120.400 0.037 0.000 2.117 193 D HA -0.049 4.592 4.640 0.001 0.000 0.198 193 D C 2.676 179.012 176.300 0.060 0.000 0.982 193 D CA 0.848 54.897 54.000 0.081 0.000 0.828 193 D CB -0.191 40.673 40.800 0.106 0.000 0.967 193 D HN 0.330 nan 8.370 nan 0.000 0.464 194 M N 0.095 119.702 119.600 0.012 0.000 2.132 194 M HA -0.167 4.314 4.480 0.001 0.000 0.263 194 M C 2.225 178.512 176.300 -0.021 0.000 1.065 194 M CA 1.068 56.349 55.300 -0.031 0.000 1.122 194 M CB -0.095 32.452 32.600 -0.089 0.000 1.365 194 M HN -0.143 nan 8.290 nan 0.000 0.411 195 Q N 1.162 120.954 119.800 -0.013 0.000 2.084 195 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 195 Q C 1.800 177.820 176.000 0.034 0.000 0.978 195 Q CA 1.738 57.537 55.803 -0.007 0.000 0.844 195 Q CB -0.541 28.197 28.738 -0.000 0.000 0.898 195 Q HN 0.530 nan 8.270 nan 0.000 0.426 196 L N -0.339 120.943 121.223 0.098 0.000 2.081 196 L HA -0.219 4.122 4.340 0.001 0.000 0.212 196 L C 2.292 179.286 176.870 0.206 0.000 1.080 196 L CA 1.212 56.169 54.840 0.194 0.000 0.754 196 L CB -0.398 41.816 42.059 0.257 0.000 0.893 196 L HN 0.306 nan 8.230 nan 0.000 0.433 197 I N -1.502 119.178 120.570 0.184 0.000 2.233 197 I HA -0.289 3.882 4.170 0.001 0.000 0.243 197 I C 2.640 178.887 176.117 0.217 0.000 1.093 197 I CA 0.835 62.290 61.300 0.258 0.000 1.380 197 I CB -0.396 37.689 38.000 0.141 0.000 1.067 197 I HN 0.348 nan 8.210 nan 0.000 0.413 198 C N 0.951 120.309 119.300 0.097 0.000 2.391 198 C HA -0.200 4.261 4.460 0.001 0.000 0.276 198 C C 2.676 177.744 174.990 0.130 0.000 1.217 198 C CA 1.133 60.224 59.018 0.121 0.000 1.766 198 C CB -1.163 26.583 27.740 0.011 0.000 2.046 198 C HN 0.505 nan 8.230 nan 0.000 0.475 199 E N 0.677 120.868 120.200 -0.016 0.000 2.047 199 E HA -0.145 4.206 4.350 0.001 0.000 0.191 199 E C 2.421 178.940 176.600 -0.134 0.000 0.987 199 E CA 1.276 57.556 56.400 -0.200 0.000 0.799 199 E CB -0.294 29.020 29.700 -0.643 0.000 0.752 199 E HN 0.673 nan 8.360 nan 0.000 0.449 200 A N 0.946 123.799 122.820 0.055 0.000 1.908 200 A HA -0.240 4.081 4.320 0.001 0.000 0.218 200 A C 2.083 179.848 177.584 0.302 0.000 1.181 200 A CA 1.616 53.844 52.037 0.319 0.000 0.627 200 A CB -0.823 18.511 19.000 0.557 0.000 0.818 200 A HN 0.438 nan 8.150 nan 0.000 0.445 201 Y N -0.303 120.137 120.300 0.233 0.000 2.181 201 Y HA -0.234 4.317 4.550 0.001 0.000 0.288 201 Y C 2.370 178.360 175.900 0.149 0.000 1.146 201 Y CA 2.248 60.465 58.100 0.195 0.000 1.164 201 Y CB -0.676 37.879 38.460 0.158 0.000 0.982 201 Y HN 0.515 nan 8.280 nan 0.000 0.515 202 H N 0.134 119.059 119.070 -0.242 0.000 2.387 202 H HA -0.101 4.456 4.556 0.001 0.000 0.299 202 H C 2.200 177.422 175.328 -0.177 0.000 1.090 202 H CA 2.044 57.916 56.048 -0.292 0.000 1.332 202 H CB -0.414 29.259 29.762 -0.148 0.000 1.386 202 H HN 0.436 nan 8.280 nan 0.000 0.516 203 L N -0.760 120.465 121.223 0.003 0.000 2.056 203 L HA -0.175 4.166 4.340 0.001 0.000 0.207 203 L C 2.526 179.411 176.870 0.025 0.000 1.078 203 L CA 1.213 56.070 54.840 0.028 0.000 0.749 203 L CB -0.252 41.889 42.059 0.137 0.000 0.901 203 L HN 0.303 nan 8.230 nan 0.000 0.433 204 M N -0.767 118.837 119.600 0.007 0.000 2.132 204 M HA -0.226 4.255 4.480 0.001 0.000 0.263 204 M C 2.302 178.544 176.300 -0.096 0.000 1.065 204 M CA 1.641 56.925 55.300 -0.026 0.000 1.122 204 M CB -0.345 32.230 32.600 -0.043 0.000 1.365 204 M HN 0.099 nan 8.290 nan 0.000 0.411 205 K N 0.779 121.070 120.400 -0.183 0.000 1.973 205 K HA -0.175 4.145 4.320 0.001 0.000 0.210 205 K C 1.200 177.716 176.600 -0.140 0.000 1.045 205 K CA 2.146 58.301 56.287 -0.219 0.000 0.937 205 K CB 0.043 32.307 32.500 -0.394 0.000 0.721 205 K HN 0.168 nan 8.250 nan 0.000 0.438 206 D N -0.349 119.966 120.400 -0.143 0.000 2.183 206 D HA -0.066 4.575 4.640 0.001 0.000 0.205 206 D C 1.823 178.062 176.300 -0.103 0.000 0.962 206 D CA 0.591 54.514 54.000 -0.127 0.000 0.849 206 D CB 0.261 40.935 40.800 -0.210 0.000 0.978 206 D HN 0.005 nan 8.370 nan 0.000 0.488 207 V N 0.230 120.080 119.914 -0.106 0.000 2.379 207 V HA -0.051 4.070 4.120 0.001 0.000 0.243 207 V C 1.853 177.867 176.094 -0.133 0.000 1.035 207 V CA 0.889 63.121 62.300 -0.113 0.000 1.035 207 V CB -0.030 31.708 31.823 -0.142 0.000 0.673 207 V HN 0.136 nan 8.190 nan 0.000 0.457 208 L N 0.642 121.790 121.223 -0.125 0.000 2.446 208 L HA 0.363 4.704 4.340 0.001 0.000 0.219 208 L C 1.725 178.571 176.870 -0.039 0.000 1.116 208 L CA 1.422 56.201 54.840 -0.102 0.000 0.844 208 L CB -0.585 41.442 42.059 -0.054 0.000 0.970 208 L HN 0.504 nan 8.230 nan 0.000 0.457 209 G N -0.286 108.485 108.800 -0.048 0.000 2.179 209 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 209 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 209 G C 0.137 175.012 174.900 -0.041 0.000 1.010 209 G CA 0.262 45.341 45.100 -0.036 0.000 0.736 209 G HN 0.171 nan 8.290 nan 0.000 0.513 210 L N 1.087 122.272 121.223 -0.063 0.000 2.416 210 L HA 0.582 4.923 4.340 0.001 0.000 0.272 210 L C 1.469 178.273 176.870 -0.110 0.000 1.161 210 L CA 0.699 55.498 54.840 -0.068 0.000 0.845 210 L CB 0.704 42.717 42.059 -0.076 0.000 1.119 210 L HN 0.275 nan 8.230 nan 0.000 0.464 211 G N 0.973 109.729 108.800 -0.073 0.000 2.572 211 G HA2 0.182 4.142 3.960 0.001 0.000 0.261 211 G HA3 0.182 4.142 3.960 0.001 0.000 0.261 211 G C 0.606 175.428 174.900 -0.130 0.000 1.197 211 G CA -0.278 44.779 45.100 -0.071 0.000 0.870 211 G HN 0.842 nan 8.290 nan 0.000 0.548 212 H N -0.282 118.761 119.070 -0.044 0.000 2.489 212 H HA -0.040 4.516 4.556 0.001 0.000 0.293 212 H C 2.405 177.625 175.328 -0.180 0.000 1.066 212 H CA 1.526 57.474 56.048 -0.166 0.000 1.305 212 H CB 0.332 29.806 29.762 -0.480 0.000 1.386 212 H HN 0.469 nan 8.280 nan 0.000 0.551 213 K N 0.421 120.825 120.400 0.007 0.000 2.001 213 K HA -0.153 4.167 4.320 0.001 0.000 0.208 213 K C 1.944 178.548 176.600 0.006 0.000 1.048 213 K CA 1.687 57.995 56.287 0.035 0.000 0.932 213 K CB 0.118 32.671 32.500 0.089 0.000 0.715 213 K HN 0.282 nan 8.250 nan 0.000 0.437 214 E N 0.559 120.755 120.200 -0.007 0.000 2.077 214 E HA -0.151 4.200 4.350 0.001 0.000 0.193 214 E C 1.952 178.511 176.600 -0.068 0.000 0.989 214 E CA 1.356 57.737 56.400 -0.032 0.000 0.800 214 E CB -0.087 29.595 29.700 -0.031 0.000 0.746 214 E HN 0.235 nan 8.360 nan 0.000 0.452 215 M N 0.354 119.916 119.600 -0.063 0.000 2.082 215 M HA -0.213 4.268 4.480 0.001 0.000 0.258 215 M C 2.444 178.749 176.300 0.009 0.000 1.069 215 M CA 1.743 57.014 55.300 -0.050 0.000 1.102 215 M CB -0.456 32.155 32.600 0.019 0.000 1.336 215 M HN 0.217 nan 8.290 nan 0.000 0.404 216 A N 0.146 122.985 122.820 0.033 0.000 1.940 216 A HA -0.215 4.106 4.320 0.001 0.000 0.219 216 A C 2.142 179.730 177.584 0.006 0.000 1.176 216 A CA 2.018 54.087 52.037 0.053 0.000 0.631 216 A CB -0.685 18.326 19.000 0.018 0.000 0.814 216 A HN 0.463 nan 8.150 nan 0.000 0.446 217 K N -0.417 119.958 120.400 -0.041 0.000 2.057 217 K HA -0.109 4.212 4.320 0.001 0.000 0.207 217 K C 2.180 178.690 176.600 -0.149 0.000 1.049 217 K CA 1.210 57.461 56.287 -0.060 0.000 0.931 217 K CB -0.314 32.159 32.500 -0.045 0.000 0.714 217 K HN 0.400 nan 8.250 nan 0.000 0.440 218 A N 0.489 123.133 122.820 -0.294 0.000 1.877 218 A HA -0.136 4.184 4.320 0.001 0.000 0.216 218 A C 1.945 178.921 177.584 -1.014 0.000 1.186 218 A CA 1.311 52.957 52.037 -0.651 0.000 0.620 218 A CB -0.849 17.672 19.000 -0.798 0.000 0.822 218 A HN 0.327 nan 8.150 nan 0.000 0.443 219 F N 0.358 119.912 119.950 -0.660 0.000 2.126 219 F HA -0.172 4.355 4.527 0.001 0.000 0.299 219 F C 2.462 178.179 175.800 -0.137 0.000 1.096 219 F CA 1.955 59.700 58.000 -0.424 0.000 1.255 219 F CB -0.446 38.406 39.000 -0.247 0.000 0.997 219 F HN 0.340 nan 8.300 nan 0.000 0.479 220 E N -0.237 119.988 120.200 0.041 0.000 2.058 220 E HA -0.264 4.086 4.350 0.001 0.000 0.194 220 E C 2.080 178.725 176.600 0.074 0.000 0.997 220 E CA 1.634 58.072 56.400 0.064 0.000 0.801 220 E CB -0.221 29.501 29.700 0.037 0.000 0.746 220 E HN 0.421 nan 8.360 nan 0.000 0.450 221 E N -0.309 119.915 120.200 0.039 0.000 2.118 221 E HA -0.195 4.156 4.350 0.001 0.000 0.195 221 E C 1.615 178.370 176.600 0.258 0.000 0.992 221 E CA 1.240 57.714 56.400 0.123 0.000 0.804 221 E CB -0.083 29.691 29.700 0.122 0.000 0.741 221 E HN 0.354 nan 8.360 nan 0.000 0.458 222 W N 0.564 121.832 121.300 -0.053 0.000 2.388 222 W HA -0.032 4.629 4.660 0.001 0.000 0.294 222 W C 2.020 178.527 176.519 -0.020 0.000 1.212 222 W CA 0.785 58.088 57.345 -0.069 0.000 1.271 222 W CB -1.201 28.184 29.460 -0.124 0.000 1.126 222 W HN 0.116 nan 8.180 nan 0.000 0.535 223 N N 0.367 119.224 118.700 0.261 0.000 2.573 223 N HA -0.127 4.613 4.740 0.001 0.000 0.187 223 N C 1.282 176.863 175.510 0.118 0.000 1.107 223 N CA 1.034 54.189 53.050 0.175 0.000 0.918 223 N CB -0.178 38.405 38.487 0.160 0.000 0.966 223 N HN 0.068 nan 8.380 nan 0.000 0.448 224 K N -0.858 119.606 120.400 0.106 0.000 2.358 224 K HA 0.083 4.404 4.320 0.001 0.000 0.197 224 K C 0.430 177.052 176.600 0.036 0.000 1.025 224 K CA 0.226 56.554 56.287 0.068 0.000 1.104 224 K CB 0.498 33.036 32.500 0.064 0.000 0.855 224 K HN 0.306 nan 8.250 nan 0.000 0.531 225 T N -2.510 112.051 114.554 0.012 0.000 2.769 225 T HA 0.163 4.514 4.350 0.001 0.000 0.258 225 T C 1.048 175.691 174.700 -0.096 0.000 1.008 225 T CA -0.548 61.515 62.100 -0.062 0.000 1.021 225 T CB 0.285 69.076 68.868 -0.129 0.000 1.788 225 T HN -0.172 nan 8.240 nan 0.000 0.577 226 E N 0.495 120.563 120.200 -0.220 0.000 2.331 226 E HA 0.057 4.407 4.350 0.001 0.000 0.199 226 E C 1.387 177.880 176.600 -0.178 0.000 1.008 226 E CA 0.625 56.875 56.400 -0.249 0.000 0.843 226 E CB -0.668 28.642 29.700 -0.650 0.000 0.761 226 E HN 0.445 nan 8.360 nan 0.000 0.507 227 L N 1.261 122.371 121.223 -0.189 0.000 2.672 227 L HA 0.063 4.404 4.340 0.001 0.000 0.236 227 L C 0.642 177.549 176.870 0.060 0.000 1.186 227 L CA -0.234 54.570 54.840 -0.060 0.000 0.977 227 L CB -0.213 41.809 42.059 -0.062 0.000 1.203 227 L HN 0.064 nan 8.230 nan 0.000 0.448 228 D N 2.155 122.597 120.400 0.070 0.000 2.368 228 D HA 0.058 4.699 4.640 0.001 0.000 0.268 228 D C -0.341 176.047 176.300 0.147 0.000 1.298 228 D CA 0.461 54.526 54.000 0.109 0.000 0.938 228 D CB 0.611 41.466 40.800 0.092 0.000 1.101 228 D HN 0.275 nan 8.370 nan 0.000 0.509 229 S N 2.729 118.529 115.700 0.166 0.000 2.543 229 S HA 0.119 4.590 4.470 0.001 0.000 0.274 229 S C 0.433 175.165 174.600 0.221 0.000 1.149 229 S CA -0.924 57.399 58.200 0.205 0.000 0.866 229 S CB 0.848 64.162 63.200 0.190 0.000 1.111 229 S HN 0.296 nan 8.310 nan 0.000 0.457 230 F N 2.141 122.152 119.950 0.102 0.000 2.120 230 F HA -0.041 4.487 4.527 0.001 0.000 0.300 230 F C 1.489 177.323 175.800 0.057 0.000 1.095 230 F CA 1.671 59.717 58.000 0.078 0.000 1.249 230 F CB -0.521 38.526 39.000 0.078 0.000 0.995 230 F HN 0.641 nan 8.300 nan 0.000 0.480 231 L N -0.392 120.721 121.223 -0.184 0.000 2.109 231 L HA -0.214 4.127 4.340 0.001 0.000 0.207 231 L C 2.514 179.270 176.870 -0.190 0.000 1.086 231 L CA 0.475 55.133 54.840 -0.304 0.000 0.760 231 L CB -0.629 41.364 42.059 -0.110 0.000 0.910 231 L HN 0.150 nan 8.230 nan 0.000 0.437 232 I N 0.115 120.682 120.570 -0.006 0.000 2.226 232 I HA -0.291 3.880 4.170 0.001 0.000 0.245 232 I C 2.507 178.646 176.117 0.037 0.000 1.100 232 I CA 1.517 62.891 61.300 0.122 0.000 1.374 232 I CB -0.825 37.344 38.000 0.281 0.000 1.057 232 I HN 0.438 nan 8.210 nan 0.000 0.413 233 E N 1.563 121.766 120.200 0.004 0.000 2.017 233 E HA -0.238 4.113 4.350 0.001 0.000 0.193 233 E C 2.318 178.852 176.600 -0.109 0.000 0.997 233 E CA 1.922 58.320 56.400 -0.004 0.000 0.804 233 E CB -0.158 29.578 29.700 0.060 0.000 0.757 233 E HN 0.584 nan 8.360 nan 0.000 0.448 234 I N -1.083 119.328 120.570 -0.265 0.000 2.614 234 I HA -0.136 4.034 4.170 0.001 0.000 0.258 234 I C 2.126 178.075 176.117 -0.279 0.000 1.189 234 I CA 1.275 62.406 61.300 -0.281 0.000 1.462 234 I CB -0.428 37.302 38.000 -0.449 0.000 1.092 234 I HN -0.031 nan 8.210 nan 0.000 0.442 235 T N 1.583 115.927 114.554 -0.351 0.000 2.708 235 T HA -0.092 4.259 4.350 0.001 0.000 0.266 235 T C 2.185 176.635 174.700 -0.417 0.000 1.037 235 T CA 1.813 63.611 62.100 -0.502 0.000 1.146 235 T CB -0.371 67.999 68.868 -0.830 0.000 0.865 235 T HN 0.604 nan 8.240 nan 0.000 0.435 236 A N 1.361 124.033 122.820 -0.247 0.000 1.908 236 A HA -0.132 4.189 4.320 0.001 0.000 0.218 236 A C 2.598 180.146 177.584 -0.060 0.000 1.181 236 A CA 2.127 54.119 52.037 -0.075 0.000 0.627 236 A CB -0.895 18.127 19.000 0.035 0.000 0.818 236 A HN 0.464 nan 8.150 nan 0.000 0.445 237 S N -0.110 115.553 115.700 -0.061 0.000 2.356 237 S HA -0.126 4.344 4.470 0.001 0.000 0.223 237 S C 1.810 176.414 174.600 0.005 0.000 1.032 237 S CA 1.546 59.744 58.200 -0.003 0.000 1.005 237 S CB -0.513 62.684 63.200 -0.005 0.000 0.867 237 S HN 0.551 nan 8.310 nan 0.000 0.449 238 I N 0.908 121.415 120.570 -0.105 0.000 2.226 238 I HA -0.175 3.996 4.170 0.001 0.000 0.245 238 I C 1.956 178.024 176.117 -0.082 0.000 1.100 238 I CA 0.870 62.089 61.300 -0.134 0.000 1.374 238 I CB -0.313 37.537 38.000 -0.250 0.000 1.057 238 I HN 0.193 nan 8.210 nan 0.000 0.413 239 L N 0.456 121.602 121.223 -0.127 0.000 2.093 239 L HA -0.175 4.166 4.340 0.001 0.000 0.208 239 L C 2.392 179.212 176.870 -0.084 0.000 1.085 239 L CA 1.765 56.544 54.840 -0.102 0.000 0.755 239 L CB -0.646 41.365 42.059 -0.080 0.000 0.904 239 L HN 0.085 nan 8.230 nan 0.000 0.435 240 K N -1.237 119.173 120.400 0.016 0.000 2.097 240 K HA -0.112 4.208 4.320 0.001 0.000 0.205 240 K C 0.644 177.396 176.600 0.253 0.000 1.050 240 K CA 0.182 56.534 56.287 0.108 0.000 0.938 240 K CB -0.170 32.385 32.500 0.092 0.000 0.718 240 K HN 0.026 nan 8.250 nan 0.000 0.442 241 F N 2.717 122.708 119.950 0.069 0.000 2.623 241 F HA -0.141 4.387 4.527 0.001 0.000 0.383 241 F C 0.241 176.101 175.800 0.099 0.000 1.077 241 F CA 0.828 58.861 58.000 0.055 0.000 1.268 241 F CB 0.369 39.365 39.000 -0.006 0.000 1.053 241 F HN 0.022 nan 8.300 nan 0.000 0.571 242 Q N 4.088 123.732 119.800 -0.259 0.000 2.342 242 Q HA 0.215 4.556 4.340 0.001 0.000 0.267 242 Q C -0.862 174.978 176.000 -0.268 0.000 1.038 242 Q CA -1.080 54.598 55.803 -0.208 0.000 0.832 242 Q CB 1.917 30.498 28.738 -0.262 0.000 1.323 242 Q HN 0.594 nan 8.270 nan 0.000 0.448 243 D N 0.238 120.596 120.400 -0.070 0.000 2.433 243 D HA 0.232 4.873 4.640 0.001 0.000 0.255 243 D C 0.649 176.913 176.300 -0.060 0.000 1.226 243 D CA 0.175 54.176 54.000 0.002 0.000 1.015 243 D CB 1.148 41.969 40.800 0.034 0.000 1.091 243 D HN 0.636 nan 8.370 nan 0.000 0.527 244 A N 0.441 123.248 122.820 -0.023 0.000 2.024 244 A HA -0.174 4.146 4.320 0.001 0.000 0.220 244 A C 1.326 178.885 177.584 -0.041 0.000 1.164 244 A CA 1.974 53.992 52.037 -0.031 0.000 0.643 244 A CB -0.468 18.527 19.000 -0.008 0.000 0.806 244 A HN 0.680 nan 8.150 nan 0.000 0.451 245 D N -1.966 118.410 120.400 -0.040 0.000 2.328 245 D HA 0.225 4.866 4.640 0.001 0.000 0.221 245 D C 1.104 177.363 176.300 -0.068 0.000 1.072 245 D CA 0.772 54.745 54.000 -0.045 0.000 0.850 245 D CB -0.470 40.311 40.800 -0.033 0.000 0.922 245 D HN 0.682 nan 8.370 nan 0.000 0.516 246 G N 0.630 109.374 108.800 -0.093 0.000 2.155 246 G HA2 -0.320 3.641 3.960 0.001 0.000 0.257 246 G HA3 -0.320 3.641 3.960 0.001 0.000 0.257 246 G C 0.198 174.995 174.900 -0.172 0.000 0.983 246 G CA 0.536 45.559 45.100 -0.129 0.000 0.676 246 G HN 0.407 nan 8.290 nan 0.000 0.528 247 K N -0.372 119.938 120.400 -0.151 0.000 2.166 247 K HA 0.646 4.967 4.320 0.001 0.000 0.245 247 K C 0.318 176.801 176.600 -0.194 0.000 0.967 247 K CA -0.840 55.331 56.287 -0.192 0.000 0.863 247 K CB 0.651 33.097 32.500 -0.091 0.000 1.107 247 K HN 0.419 nan 8.250 nan 0.000 0.436 248 H N 1.101 120.137 119.070 -0.057 0.000 2.848 248 H HA -0.018 4.538 4.556 0.001 0.000 0.341 248 H C 0.702 175.982 175.328 -0.079 0.000 1.060 248 H CA -0.171 55.825 56.048 -0.087 0.000 1.444 248 H CB 0.707 30.338 29.762 -0.218 0.000 1.446 248 H HN 0.313 nan 8.280 nan 0.000 0.583 249 L N 3.502 124.796 121.223 0.118 0.000 2.209 249 L HA -0.031 4.310 4.340 0.001 0.000 0.207 249 L C 1.733 178.595 176.870 -0.015 0.000 1.094 249 L CA 1.017 55.898 54.840 0.069 0.000 0.790 249 L CB -0.507 41.649 42.059 0.163 0.000 0.932 249 L HN 0.605 nan 8.230 nan 0.000 0.447 250 L N 0.839 122.020 121.223 -0.069 0.000 2.012 250 L HA -0.087 4.254 4.340 0.001 0.000 0.210 250 L C -0.529 176.305 176.870 -0.060 0.000 1.073 250 L CA 2.044 56.821 54.840 -0.105 0.000 0.748 250 L CB -1.831 40.135 42.059 -0.155 0.000 0.891 250 L HN 0.184 nan 8.230 nan 0.000 0.431 251 P HA -0.160 nan 4.420 nan 0.000 0.224 251 P C 1.021 178.326 177.300 0.007 0.000 1.142 251 P CA 1.271 64.373 63.100 0.005 0.000 0.778 251 P CB -0.041 31.659 31.700 0.000 0.000 0.764 252 K N -0.842 119.552 120.400 -0.010 0.000 2.323 252 K HA 0.113 4.434 4.320 0.001 0.000 0.197 252 K C 1.129 177.720 176.600 -0.014 0.000 1.043 252 K CA 0.181 56.464 56.287 -0.007 0.000 0.997 252 K CB -0.130 32.368 32.500 -0.005 0.000 0.807 252 K HN 0.297 nan 8.250 nan 0.000 0.497 253 I N -0.812 119.742 120.570 -0.026 0.000 2.428 253 I HA 0.275 4.445 4.170 0.001 0.000 0.296 253 I C 0.003 176.100 176.117 -0.033 0.000 0.985 253 I CA -0.849 60.429 61.300 -0.037 0.000 1.260 253 I CB 1.206 39.169 38.000 -0.061 0.000 1.389 253 I HN -0.170 nan 8.210 nan 0.000 0.484 254 R N 4.570 125.050 120.500 -0.035 0.000 2.484 254 R HA 0.064 4.405 4.340 0.001 0.000 0.293 254 R C -0.259 176.015 176.300 -0.042 0.000 1.023 254 R CA 0.006 56.087 56.100 -0.032 0.000 1.037 254 R CB 0.259 30.540 30.300 -0.032 0.000 0.951 254 R HN 0.846 nan 8.270 nan 0.000 0.418 255 D N 2.793 123.170 120.400 -0.037 0.000 2.801 255 D HA -0.023 4.618 4.640 0.001 0.000 0.232 255 D C -0.879 175.390 176.300 -0.052 0.000 1.128 255 D CA 0.001 53.972 54.000 -0.048 0.000 1.003 255 D CB 0.562 41.337 40.800 -0.041 0.000 1.110 255 D HN 0.163 nan 8.370 nan 0.000 0.477 256 S N 0.199 115.865 115.700 -0.057 0.000 2.653 256 S HA 0.514 4.985 4.470 0.001 0.000 0.272 256 S C -0.370 174.184 174.600 -0.076 0.000 1.221 256 S CA -0.650 57.516 58.200 -0.057 0.000 1.149 256 S CB 0.397 63.570 63.200 -0.045 0.000 1.029 256 S HN 0.488 nan 8.310 nan 0.000 0.481 257 A N 3.643 126.407 122.820 -0.094 0.000 2.451 257 A HA 0.628 4.948 4.320 0.001 0.000 0.266 257 A C 0.909 178.416 177.584 -0.128 0.000 1.119 257 A CA -0.016 51.944 52.037 -0.129 0.000 0.786 257 A CB -0.082 18.820 19.000 -0.163 0.000 1.061 257 A HN 0.865 nan 8.150 nan 0.000 0.503 258 G N 1.439 110.162 108.800 -0.129 0.000 2.572 258 G HA2 0.512 4.473 3.960 0.001 0.000 0.261 258 G HA3 0.512 4.473 3.960 0.001 0.000 0.261 258 G C -0.317 174.498 174.900 -0.141 0.000 1.197 258 G CA -0.373 44.660 45.100 -0.112 0.000 0.870 258 G HN 0.818 nan 8.290 nan 0.000 0.548 259 Q N -0.889 118.851 119.800 -0.100 0.000 2.421 259 Q HA 0.456 4.797 4.340 0.001 0.000 0.280 259 Q C -1.095 174.863 176.000 -0.069 0.000 1.085 259 Q CA -0.793 54.969 55.803 -0.069 0.000 0.807 259 Q CB 2.718 31.431 28.738 -0.042 0.000 1.405 259 Q HN 0.432 nan 8.270 nan 0.000 0.419 260 K N 0.217 120.571 120.400 -0.076 0.000 3.237 260 K HA 0.284 4.605 4.320 0.001 0.000 0.197 260 K C 0.629 177.026 176.600 -0.337 0.000 1.133 260 K CA 0.534 56.731 56.287 -0.149 0.000 0.944 260 K CB 0.199 32.633 32.500 -0.110 0.000 0.952 260 K HN 0.913 nan 8.250 nan 0.000 0.515 261 G N -0.023 108.535 108.800 -0.403 0.000 2.650 261 G HA2 -0.499 3.462 3.960 0.001 0.000 0.245 261 G HA3 -0.499 3.462 3.960 0.001 0.000 0.245 261 G C 1.287 175.326 174.900 -1.435 0.000 1.044 261 G CA 1.880 46.479 45.100 -0.836 0.000 0.669 261 G HN 0.545 nan 8.290 nan 0.000 0.548 262 T N -1.054 112.779 114.554 -1.201 0.000 2.720 262 T HA 0.069 4.419 4.350 0.001 0.000 0.268 262 T C 2.504 176.803 174.700 -0.669 0.000 1.037 262 T CA 2.046 63.613 62.100 -0.889 0.000 1.144 262 T CB -0.993 67.585 68.868 -0.483 0.000 0.864 262 T HN 1.311 nan 8.240 nan 0.000 0.444 263 G N 1.667 109.898 108.800 -0.947 0.000 2.402 263 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 263 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 263 G C 1.494 176.114 174.900 -0.468 0.000 1.162 263 G CA 0.941 45.405 45.100 -1.060 0.000 0.777 263 G HN 0.620 nan 8.290 nan 0.000 0.539 264 K N -0.458 119.726 120.400 -0.359 0.000 2.020 264 K HA -0.195 4.126 4.320 0.001 0.000 0.212 264 K C 2.230 178.785 176.600 -0.076 0.000 1.050 264 K CA 1.806 57.966 56.287 -0.212 0.000 0.929 264 K CB -0.350 32.013 32.500 -0.229 0.000 0.714 264 K HN 0.384 nan 8.250 nan 0.000 0.443 265 W N 1.349 122.560 121.300 -0.149 0.000 2.363 265 W HA -0.091 4.571 4.660 0.002 0.000 0.296 265 W C 2.324 178.760 176.519 -0.138 0.000 1.212 265 W CA 1.315 58.596 57.345 -0.105 0.000 1.260 265 W CB -1.409 28.006 29.460 -0.075 0.000 1.131 265 W HN 0.211 nan 8.180 nan 0.000 0.530 266 T N 0.746 115.293 114.554 -0.011 0.000 2.674 266 T HA -0.147 4.203 4.350 0.001 0.000 0.265 266 T C 2.116 176.771 174.700 -0.075 0.000 1.039 266 T CA 2.404 64.432 62.100 -0.119 0.000 1.150 266 T CB -0.838 67.896 68.868 -0.223 0.000 0.864 266 T HN 0.116 nan 8.240 nan 0.000 0.427 267 A N 1.296 124.057 122.820 -0.099 0.000 1.883 267 A HA -0.088 4.233 4.320 0.001 0.000 0.217 267 A C 2.325 179.884 177.584 -0.043 0.000 1.186 267 A CA 1.549 53.530 52.037 -0.095 0.000 0.624 267 A CB -0.975 17.920 19.000 -0.175 0.000 0.822 267 A HN 0.539 nan 8.150 nan 0.000 0.444 268 I N 0.029 120.594 120.570 -0.008 0.000 2.264 268 I HA -0.262 3.909 4.170 0.001 0.000 0.248 268 I C 2.585 178.710 176.117 0.015 0.000 1.111 268 I CA 1.564 62.877 61.300 0.022 0.000 1.382 268 I CB -0.267 37.782 38.000 0.081 0.000 1.060 268 I HN 0.248 nan 8.210 nan 0.000 0.418 269 S N 0.628 116.361 115.700 0.055 0.000 2.383 269 S HA -0.079 4.391 4.470 0.001 0.000 0.227 269 S C 2.278 176.904 174.600 0.044 0.000 1.026 269 S CA 1.071 59.323 58.200 0.087 0.000 0.981 269 S CB -0.292 63.047 63.200 0.232 0.000 0.818 269 S HN 0.539 nan 8.310 nan 0.000 0.472 270 A N 1.960 124.812 122.820 0.053 0.000 1.883 270 A HA -0.063 4.258 4.320 0.001 0.000 0.217 270 A C 2.033 179.629 177.584 0.020 0.000 1.186 270 A CA 1.219 53.291 52.037 0.058 0.000 0.624 270 A CB -0.735 18.278 19.000 0.022 0.000 0.822 270 A HN 0.356 nan 8.150 nan 0.000 0.444 271 L N 0.110 121.328 121.223 -0.009 0.000 1.989 271 L HA -0.183 4.158 4.340 0.001 0.000 0.211 271 L C 2.448 179.273 176.870 -0.075 0.000 1.071 271 L CA 2.211 57.042 54.840 -0.015 0.000 0.749 271 L CB -1.617 40.442 42.059 -0.001 0.000 0.890 271 L HN 0.533 nan 8.230 nan 0.000 0.431 272 E N -1.416 118.675 120.200 -0.181 0.000 2.070 272 E HA -0.259 4.092 4.350 0.001 0.000 0.197 272 E C 1.834 178.172 176.600 -0.438 0.000 1.004 272 E CA 1.612 57.800 56.400 -0.353 0.000 0.805 272 E CB -0.199 29.146 29.700 -0.592 0.000 0.744 272 E HN 0.459 nan 8.360 nan 0.000 0.451 273 Y N -0.702 119.633 120.300 0.059 0.000 2.466 273 Y HA 0.252 4.804 4.550 0.002 0.000 0.272 273 Y C 1.426 177.339 175.900 0.022 0.000 1.169 273 Y CA 0.340 58.452 58.100 0.019 0.000 1.285 273 Y CB 0.556 39.019 38.460 0.005 0.000 1.078 273 Y HN 0.097 nan 8.280 nan 0.000 0.523 274 G N 0.571 109.423 108.800 0.087 0.000 2.212 274 G HA2 -0.211 3.750 3.960 0.001 0.000 0.255 274 G HA3 -0.211 3.750 3.960 0.001 0.000 0.255 274 G C -0.535 174.427 174.900 0.104 0.000 1.062 274 G CA 0.166 45.318 45.100 0.085 0.000 0.815 274 G HN 0.119 nan 8.290 nan 0.000 0.497 275 V N 1.376 121.354 119.914 0.107 0.000 2.347 275 V HA 0.448 4.569 4.120 0.001 0.000 0.280 275 V C -0.984 175.149 176.094 0.065 0.000 1.021 275 V CA -1.296 61.063 62.300 0.099 0.000 0.847 275 V CB 1.745 33.635 31.823 0.111 0.000 0.990 275 V HN 0.262 nan 8.190 nan 0.000 0.444 276 P HA 0.071 nan 4.420 nan 0.000 0.232 276 P C -0.000 177.241 177.300 -0.097 0.000 1.738 276 P CA 0.035 63.161 63.100 0.044 0.000 0.948 276 P CB 0.240 32.046 31.700 0.177 0.000 1.943 277 V N 2.458 122.326 119.914 -0.077 0.000 2.157 277 V HA -0.025 4.096 4.120 0.001 0.000 0.241 277 V C 2.117 178.160 176.094 -0.085 0.000 1.349 277 V CA 0.833 63.059 62.300 -0.123 0.000 1.319 277 V CB -0.890 30.886 31.823 -0.078 0.000 1.421 277 V HN 0.410 nan 8.190 nan 0.000 0.501 278 T N 0.687 115.186 114.554 -0.093 0.000 2.896 278 T HA -0.079 4.272 4.350 0.001 0.000 0.263 278 T C 1.774 176.492 174.700 0.029 0.000 1.050 278 T CA 0.747 62.850 62.100 0.006 0.000 1.140 278 T CB -0.038 68.870 68.868 0.066 0.000 0.877 278 T HN 0.402 nan 8.240 nan 0.000 0.457 279 L N 0.322 121.550 121.223 0.007 0.000 2.056 279 L HA 0.162 4.503 4.340 0.001 0.000 0.207 279 L C 2.524 179.406 176.870 0.021 0.000 1.078 279 L CA 1.214 56.083 54.840 0.048 0.000 0.749 279 L CB -0.327 41.764 42.059 0.053 0.000 0.901 279 L HN 0.215 nan 8.230 nan 0.000 0.433 280 I N -0.583 119.967 120.570 -0.033 0.000 2.208 280 I HA -0.250 3.920 4.170 0.001 0.000 0.245 280 I C 2.495 178.577 176.117 -0.058 0.000 1.097 280 I CA 1.318 62.583 61.300 -0.057 0.000 1.363 280 I CB -0.945 36.981 38.000 -0.123 0.000 1.051 280 I HN 0.385 nan 8.210 nan 0.000 0.413 281 G N 0.355 109.118 108.800 -0.062 0.000 2.459 281 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 281 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 281 G C 1.542 176.424 174.900 -0.029 0.000 1.183 281 G CA 0.534 45.567 45.100 -0.113 0.000 0.776 281 G HN 0.263 nan 8.290 nan 0.000 0.552 282 E N 0.838 121.108 120.200 0.117 0.000 2.153 282 E HA -0.074 4.277 4.350 0.001 0.000 0.194 282 E C 2.852 179.536 176.600 0.139 0.000 0.988 282 E CA 1.003 57.520 56.400 0.195 0.000 0.811 282 E CB -0.454 29.340 29.700 0.156 0.000 0.746 282 E HN 0.381 nan 8.360 nan 0.000 0.466 283 A N 0.800 123.665 122.820 0.073 0.000 1.841 283 A HA -0.117 4.204 4.320 0.001 0.000 0.214 283 A C 2.621 180.223 177.584 0.029 0.000 1.195 283 A CA 1.422 53.487 52.037 0.047 0.000 0.611 283 A CB -0.779 18.256 19.000 0.059 0.000 0.835 283 A HN 0.128 nan 8.150 nan 0.000 0.443 284 V N -0.818 119.105 119.914 0.015 0.000 2.282 284 V HA -0.278 3.843 4.120 0.001 0.000 0.249 284 V C 2.378 178.453 176.094 -0.031 0.000 1.057 284 V CA 2.231 64.513 62.300 -0.031 0.000 1.032 284 V CB -1.071 30.639 31.823 -0.188 0.000 0.645 284 V HN 0.520 nan 8.190 nan 0.000 0.447 285 F N 0.722 120.683 119.950 0.018 0.000 2.186 285 F HA -0.043 4.485 4.527 0.001 0.000 0.299 285 F C 2.404 178.197 175.800 -0.011 0.000 1.090 285 F CA 0.870 58.873 58.000 0.005 0.000 1.307 285 F CB -1.241 37.767 39.000 0.013 0.000 1.019 285 F HN 0.105 nan 8.300 nan 0.000 0.489 286 A N -0.058 122.856 122.820 0.158 0.000 1.969 286 A HA -0.155 4.166 4.320 0.001 0.000 0.218 286 A C 2.368 179.957 177.584 0.008 0.000 1.169 286 A CA 1.213 53.288 52.037 0.063 0.000 0.635 286 A CB -0.549 18.471 19.000 0.033 0.000 0.810 286 A HN 0.288 nan 8.150 nan 0.000 0.445 287 R N -1.012 119.470 120.500 -0.031 0.000 2.092 287 R HA -0.109 4.232 4.340 0.001 0.000 0.231 287 R C 2.175 178.458 176.300 -0.028 0.000 1.119 287 R CA 1.416 57.468 56.100 -0.081 0.000 0.970 287 R CB -0.682 29.514 30.300 -0.173 0.000 0.864 287 R HN 0.608 nan 8.270 nan 0.000 0.440 288 C N 0.844 120.164 119.300 0.032 0.000 2.429 288 C HA -0.087 4.373 4.460 0.001 0.000 0.277 288 C C 2.608 177.622 174.990 0.040 0.000 1.262 288 C CA 0.433 59.486 59.018 0.059 0.000 1.733 288 C CB -0.921 26.911 27.740 0.152 0.000 2.010 288 C HN 0.492 nan 8.230 nan 0.000 0.483 289 L N 1.568 122.817 121.223 0.043 0.000 2.017 289 L HA -0.143 4.198 4.340 0.001 0.000 0.208 289 L C 2.736 179.605 176.870 -0.002 0.000 1.073 289 L CA 2.275 57.126 54.840 0.018 0.000 0.745 289 L CB -0.498 41.572 42.059 0.019 0.000 0.894 289 L HN 0.513 nan 8.230 nan 0.000 0.432 290 S N -1.788 113.903 115.700 -0.015 0.000 2.423 290 S HA -0.139 4.331 4.470 0.001 0.000 0.231 290 S C 1.893 176.477 174.600 -0.028 0.000 1.014 290 S CA 1.193 59.376 58.200 -0.030 0.000 0.965 290 S CB -0.377 62.793 63.200 -0.050 0.000 0.785 290 S HN 0.404 nan 8.310 nan 0.000 0.495 291 S N 1.552 117.237 115.700 -0.024 0.000 2.442 291 S HA 0.105 4.576 4.470 0.001 0.000 0.236 291 S C 0.613 175.204 174.600 -0.014 0.000 1.007 291 S CA 0.596 58.782 58.200 -0.022 0.000 0.965 291 S CB -0.423 62.767 63.200 -0.018 0.000 0.773 291 S HN 0.333 nan 8.310 nan 0.000 0.504 292 L N 2.165 123.383 121.223 -0.009 0.000 2.727 292 L HA 0.248 4.588 4.340 0.001 0.000 0.237 292 L C 1.574 178.438 176.870 -0.009 0.000 1.370 292 L CA 0.233 55.068 54.840 -0.007 0.000 1.248 292 L CB -0.303 41.753 42.059 -0.004 0.000 1.556 292 L HN -0.018 nan 8.230 nan 0.000 0.420 293 K N 0.302 120.695 120.400 -0.012 0.000 2.025 293 K HA -0.126 4.194 4.320 0.001 0.000 0.207 293 K C 1.103 177.698 176.600 -0.008 0.000 1.049 293 K CA 1.337 57.616 56.287 -0.012 0.000 0.933 293 K CB 0.273 32.764 32.500 -0.016 0.000 0.714 293 K HN 0.433 nan 8.250 nan 0.000 0.438 294 D N 0.646 121.042 120.400 -0.008 0.000 2.097 294 D HA -0.168 4.473 4.640 0.001 0.000 0.195 294 D C 1.840 178.137 176.300 -0.005 0.000 0.989 294 D CA 0.982 54.979 54.000 -0.006 0.000 0.827 294 D CB 0.079 40.876 40.800 -0.006 0.000 0.966 294 D HN 0.398 nan 8.370 nan 0.000 0.456 295 E N 0.630 120.827 120.200 -0.005 0.000 2.085 295 E HA -0.168 4.182 4.350 0.001 0.000 0.194 295 E C 2.181 178.779 176.600 -0.003 0.000 0.994 295 E CA 0.799 57.196 56.400 -0.004 0.000 0.801 295 E CB 0.202 29.899 29.700 -0.005 0.000 0.743 295 E HN 0.161 nan 8.360 nan 0.000 0.453 296 R N 0.009 120.507 120.500 -0.003 0.000 2.092 296 R HA -0.068 4.273 4.340 0.001 0.000 0.231 296 R C 2.467 178.768 176.300 0.001 0.000 1.119 296 R CA 1.128 57.227 56.100 -0.000 0.000 0.970 296 R CB -0.257 30.043 30.300 -0.000 0.000 0.864 296 R HN 0.268 nan 8.270 nan 0.000 0.440 297 I N 1.130 121.701 120.570 0.000 0.000 2.264 297 I HA -0.319 3.851 4.170 0.001 0.000 0.248 297 I C 2.417 178.535 176.117 0.001 0.000 1.111 297 I CA 1.310 62.611 61.300 0.002 0.000 1.382 297 I CB -0.301 37.700 38.000 0.000 0.000 1.060 297 I HN 0.234 nan 8.210 nan 0.000 0.418 298 Q N 0.596 120.396 119.800 -0.000 0.000 2.049 298 Q HA -0.103 4.238 4.340 0.001 0.000 0.198 298 Q C 2.543 178.543 176.000 -0.001 0.000 0.971 298 Q CA 1.725 57.527 55.803 -0.001 0.000 0.833 298 Q CB -0.406 28.331 28.738 -0.002 0.000 0.896 298 Q HN 0.555 nan 8.270 nan 0.000 0.434 299 A N 1.676 124.496 122.820 -0.001 0.000 1.972 299 A HA -0.182 4.139 4.320 0.001 0.000 0.219 299 A C 2.386 179.971 177.584 0.001 0.000 1.169 299 A CA 1.987 54.024 52.037 -0.001 0.000 0.635 299 A CB -0.605 18.395 19.000 -0.001 0.000 0.810 299 A HN 0.485 nan 8.150 nan 0.000 0.446 300 S N 0.020 115.722 115.700 0.004 0.000 2.419 300 S HA -0.167 4.304 4.470 0.001 0.000 0.233 300 S C 1.751 176.354 174.600 0.004 0.000 1.016 300 S CA 1.445 59.648 58.200 0.006 0.000 0.974 300 S CB -0.344 62.862 63.200 0.009 0.000 0.786 300 S HN 0.637 nan 8.310 nan 0.000 0.492 301 K N 0.830 121.231 120.400 0.003 0.000 2.155 301 K HA 0.093 4.414 4.320 0.001 0.000 0.203 301 K C 2.250 178.850 176.600 0.000 0.000 1.052 301 K CA 1.048 57.337 56.287 0.002 0.000 0.948 301 K CB -0.067 32.434 32.500 0.001 0.000 0.728 301 K HN 0.386 nan 8.250 nan 0.000 0.448 302 K N 0.229 120.629 120.400 -0.000 0.000 2.287 302 K HA 0.168 4.488 4.320 0.001 0.000 0.199 302 K C 0.174 176.773 176.600 -0.002 0.000 1.061 302 K CA 0.007 56.293 56.287 -0.001 0.000 0.976 302 K CB 0.518 33.017 32.500 -0.002 0.000 0.898 302 K HN -0.061 nan 8.250 nan 0.000 0.492 303 L N 2.781 124.004 121.223 -0.001 0.000 2.292 303 L HA 0.268 4.609 4.340 0.001 0.000 0.284 303 L C -0.200 176.669 176.870 -0.001 0.000 1.065 303 L CA -0.762 54.077 54.840 -0.002 0.000 0.806 303 L CB 1.177 43.235 42.059 -0.002 0.000 1.175 303 L HN -0.036 nan 8.230 nan 0.000 0.431 304 K N 1.909 122.308 120.400 -0.002 0.000 2.098 304 K HA 0.604 4.925 4.320 0.001 0.000 0.258 304 K C 0.170 176.769 176.600 -0.002 0.000 0.973 304 K CA -0.425 55.861 56.287 -0.002 0.000 0.898 304 K CB 2.030 34.529 32.500 -0.003 0.000 1.057 304 K HN 0.721 nan 8.250 nan 0.000 0.447 305 G N 1.230 110.028 108.800 -0.003 0.000 2.753 305 G HA2 0.538 4.499 3.960 0.001 0.000 0.285 305 G HA3 0.538 4.499 3.960 0.001 0.000 0.285 305 G C -2.055 172.842 174.900 -0.005 0.000 1.344 305 G CA -0.832 44.265 45.100 -0.004 0.000 1.050 305 G HN 0.432 nan 8.290 nan 0.000 0.532 306 P HA 0.126 nan 4.420 nan 0.000 0.272 306 P C -0.471 176.825 177.300 -0.006 0.000 1.240 306 P CA -0.392 62.705 63.100 -0.005 0.000 0.791 306 P CB 0.838 32.535 31.700 -0.004 0.000 0.978 307 Q N 1.532 121.329 119.800 -0.006 0.000 2.300 307 Q HA -0.040 4.301 4.340 0.001 0.000 0.280 307 Q C 0.062 176.057 176.000 -0.008 0.000 1.033 307 Q CA -0.137 55.662 55.803 -0.007 0.000 0.903 307 Q CB 0.167 28.900 28.738 -0.008 0.000 1.195 307 Q HN 0.327 nan 8.270 nan 0.000 0.386 308 N N 4.841 123.536 118.700 -0.008 0.000 2.416 308 N HA 0.112 4.853 4.740 0.001 0.000 0.265 308 N C -1.269 174.235 175.510 -0.010 0.000 1.195 308 N CA 0.195 53.239 53.050 -0.009 0.000 0.943 308 N CB 0.189 38.672 38.487 -0.008 0.000 1.115 308 N HN 0.495 nan 8.380 nan 0.000 0.481 309 I N 4.838 125.401 120.570 -0.010 0.000 2.354 309 I HA 0.303 4.474 4.170 0.001 0.000 0.286 309 I C -1.716 174.394 176.117 -0.013 0.000 1.007 309 I CA -2.103 59.187 61.300 -0.017 0.000 1.167 309 I CB 1.285 39.273 38.000 -0.020 0.000 1.320 309 I HN 0.429 nan 8.210 nan 0.000 0.458 310 P HA -0.089 nan 4.420 nan 0.000 0.266 310 P C -0.487 176.811 177.300 -0.004 0.000 1.193 310 P CA -0.129 62.969 63.100 -0.002 0.000 0.770 310 P CB 0.302 31.993 31.700 -0.016 0.000 0.836 311 F N 2.634 122.531 119.950 -0.089 0.000 2.541 311 F HA 0.097 4.624 4.527 0.001 0.000 0.378 311 F C 0.700 176.443 175.800 -0.095 0.000 1.068 311 F CA -0.152 57.771 58.000 -0.128 0.000 1.199 311 F CB 0.099 38.995 39.000 -0.174 0.000 1.091 311 F HN 0.284 nan 8.300 nan 0.000 0.555 312 E N 5.218 124.929 120.200 -0.813 0.000 2.149 312 E HA 0.597 4.948 4.350 0.001 0.000 0.255 312 E C -0.358 175.673 176.600 -0.947 0.000 0.888 312 E CA -0.391 55.645 56.400 -0.607 0.000 0.742 312 E CB 0.466 29.971 29.700 -0.326 0.000 1.164 312 E HN 0.959 nan 8.360 nan 0.000 0.422 313 G N 3.085 111.367 108.800 -0.863 0.000 2.315 313 G HA2 0.043 4.004 3.960 0.001 0.000 0.294 313 G HA3 0.043 4.004 3.960 0.001 0.000 0.294 313 G C -1.697 173.176 174.900 -0.045 0.000 1.300 313 G CA -0.926 43.857 45.100 -0.529 0.000 0.843 313 G HN 0.466 nan 8.290 nan 0.000 0.527 314 D N -0.233 120.270 120.400 0.173 0.000 2.264 314 D HA 0.409 5.049 4.640 0.001 0.000 0.250 314 D C 1.399 177.929 176.300 0.383 0.000 1.113 314 D CA -0.372 53.766 54.000 0.231 0.000 0.871 314 D CB 1.397 42.289 40.800 0.154 0.000 1.167 314 D HN 0.363 nan 8.370 nan 0.000 0.447 315 K N 2.443 123.026 120.400 0.305 0.000 2.057 315 K HA -0.119 4.202 4.320 0.001 0.000 0.207 315 K C 1.596 178.311 176.600 0.191 0.000 1.049 315 K CA 1.021 57.452 56.287 0.240 0.000 0.931 315 K CB 0.151 32.745 32.500 0.156 0.000 0.714 315 K HN 0.419 nan 8.250 nan 0.000 0.440 316 K N 0.492 120.983 120.400 0.152 0.000 2.057 316 K HA -0.069 4.252 4.320 0.001 0.000 0.207 316 K C 2.295 178.974 176.600 0.132 0.000 1.049 316 K CA 1.445 57.804 56.287 0.120 0.000 0.931 316 K CB -0.044 32.511 32.500 0.091 0.000 0.714 316 K HN -0.003 nan 8.250 nan 0.000 0.440 317 S N 0.891 116.689 115.700 0.163 0.000 2.368 317 S HA -0.136 4.335 4.470 0.001 0.000 0.225 317 S C 1.662 176.378 174.600 0.194 0.000 1.030 317 S CA 1.062 59.360 58.200 0.163 0.000 0.999 317 S CB -0.321 62.994 63.200 0.191 0.000 0.844 317 S HN 0.221 nan 8.310 nan 0.000 0.459 318 F N 1.872 121.871 119.950 0.082 0.000 2.146 318 F HA 0.027 4.555 4.527 0.001 0.000 0.298 318 F C 1.885 177.700 175.800 0.025 0.000 1.096 318 F CA 0.463 58.472 58.000 0.015 0.000 1.275 318 F CB -0.595 38.294 39.000 -0.185 0.000 1.008 318 F HN 0.098 nan 8.300 nan 0.000 0.480 319 L N 0.285 121.545 121.223 0.063 0.000 2.187 319 L HA -0.181 4.160 4.340 0.001 0.000 0.213 319 L C 2.304 179.218 176.870 0.072 0.000 1.100 319 L CA 1.649 56.538 54.840 0.082 0.000 0.765 319 L CB -0.866 41.273 42.059 0.134 0.000 0.904 319 L HN 0.043 nan 8.230 nan 0.000 0.437 320 E N -0.180 120.020 120.200 0.001 0.000 2.028 320 E HA -0.187 4.164 4.350 0.001 0.000 0.191 320 E C 1.874 178.362 176.600 -0.186 0.000 0.988 320 E CA 1.279 57.631 56.400 -0.079 0.000 0.799 320 E CB -0.223 29.457 29.700 -0.032 0.000 0.755 320 E HN 0.481 nan 8.360 nan 0.000 0.447 321 D N 0.368 120.658 120.400 -0.184 0.000 2.158 321 D HA -0.167 4.474 4.640 0.001 0.000 0.197 321 D C 2.120 178.219 176.300 -0.335 0.000 0.995 321 D CA 0.877 54.738 54.000 -0.232 0.000 0.846 321 D CB -0.226 40.443 40.800 -0.217 0.000 0.941 321 D HN 0.283 nan 8.370 nan 0.000 0.456 322 I N 0.346 120.672 120.570 -0.407 0.000 2.315 322 I HA -0.183 3.988 4.170 0.001 0.000 0.248 322 I C 2.613 178.492 176.117 -0.397 0.000 1.117 322 I CA 0.452 61.589 61.300 -0.272 0.000 1.404 322 I CB -0.165 37.780 38.000 -0.090 0.000 1.071 322 I HN -0.108 nan 8.210 nan 0.000 0.419 323 R N 1.584 121.685 120.500 -0.664 0.000 2.096 323 R HA -0.178 4.163 4.340 0.001 0.000 0.240 323 R C 2.190 178.124 176.300 -0.609 0.000 1.139 323 R CA 1.613 57.060 56.100 -1.088 0.000 0.952 323 R CB -0.342 29.317 30.300 -1.068 0.000 0.854 323 R HN 0.349 nan 8.270 nan 0.000 0.436 324 K N -0.415 119.729 120.400 -0.427 0.000 2.097 324 K HA -0.029 4.291 4.320 0.001 0.000 0.205 324 K C 2.033 178.374 176.600 -0.432 0.000 1.050 324 K CA 1.131 57.236 56.287 -0.304 0.000 0.938 324 K CB -0.133 32.238 32.500 -0.215 0.000 0.718 324 K HN 0.152 nan 8.250 nan 0.000 0.442 325 A N 1.928 124.456 122.820 -0.488 0.000 1.873 325 A HA -0.104 4.216 4.320 0.001 0.000 0.215 325 A C 2.195 179.242 177.584 -0.895 0.000 1.186 325 A CA 0.896 52.488 52.037 -0.741 0.000 0.616 325 A CB -0.665 17.954 19.000 -0.636 0.000 0.823 325 A HN 0.215 nan 8.150 nan 0.000 0.442 326 L N -1.807 119.065 121.223 -0.584 0.000 2.079 326 L HA -0.209 4.132 4.340 0.001 0.000 0.210 326 L C 2.535 179.263 176.870 -0.236 0.000 1.081 326 L CA 2.134 56.839 54.840 -0.226 0.000 0.752 326 L CB -0.356 41.684 42.059 -0.032 0.000 0.896 326 L HN 0.608 nan 8.230 nan 0.000 0.433 327 Y N 0.216 120.238 120.300 -0.464 0.000 2.153 327 Y HA -0.153 4.398 4.550 0.001 0.000 0.289 327 Y C 2.449 178.048 175.900 -0.502 0.000 1.127 327 Y CA 1.238 59.076 58.100 -0.436 0.000 1.131 327 Y CB -0.704 37.521 38.460 -0.392 0.000 0.995 327 Y HN 0.183 nan 8.280 nan 0.000 0.505 328 A N -0.621 121.669 122.820 -0.883 0.000 1.908 328 A HA -0.202 4.119 4.320 0.001 0.000 0.218 328 A C 2.433 179.410 177.584 -1.012 0.000 1.181 328 A CA 2.234 53.555 52.037 -1.192 0.000 0.627 328 A CB -1.160 16.745 19.000 -1.825 0.000 0.818 328 A HN 0.507 nan 8.150 nan 0.000 0.445 329 S N -0.574 114.619 115.700 -0.845 0.000 2.355 329 S HA -0.161 4.310 4.470 0.001 0.000 0.222 329 S C 1.982 176.516 174.600 -0.109 0.000 1.031 329 S CA 1.588 59.632 58.200 -0.261 0.000 0.993 329 S CB -0.274 62.879 63.200 -0.078 0.000 0.859 329 S HN 0.704 nan 8.310 nan 0.000 0.453 330 K N 1.246 121.550 120.400 -0.160 0.000 2.044 330 K HA -0.123 4.197 4.320 0.001 0.000 0.210 330 K C 1.957 178.571 176.600 0.022 0.000 1.049 330 K CA 1.441 57.689 56.287 -0.064 0.000 0.927 330 K CB -0.362 31.979 32.500 -0.265 0.000 0.713 330 K HN 0.298 nan 8.250 nan 0.000 0.443 331 I N 0.541 121.011 120.570 -0.167 0.000 2.127 331 I HA -0.316 3.855 4.170 0.001 0.000 0.241 331 I C 2.196 178.375 176.117 0.104 0.000 1.075 331 I CA 1.153 62.467 61.300 0.024 0.000 1.334 331 I CB -0.299 37.610 38.000 -0.152 0.000 1.040 331 I HN 0.182 nan 8.210 nan 0.000 0.405 332 I N 0.255 120.862 120.570 0.061 0.000 2.264 332 I HA -0.298 3.873 4.170 0.001 0.000 0.248 332 I C 2.760 178.934 176.117 0.096 0.000 1.111 332 I CA 1.419 62.816 61.300 0.161 0.000 1.382 332 I CB -0.569 37.613 38.000 0.302 0.000 1.060 332 I HN 0.140 nan 8.210 nan 0.000 0.418 333 S N -0.921 114.846 115.700 0.111 0.000 2.368 333 S HA -0.192 4.279 4.470 0.001 0.000 0.224 333 S C 2.181 176.797 174.600 0.027 0.000 1.029 333 S CA 1.198 59.418 58.200 0.033 0.000 0.988 333 S CB -0.323 62.897 63.200 0.032 0.000 0.838 333 S HN 0.434 nan 8.310 nan 0.000 0.462 334 Y N 1.513 121.897 120.300 0.140 0.000 2.263 334 Y HA 0.136 4.686 4.550 0.001 0.000 0.292 334 Y C 2.667 178.752 175.900 0.307 0.000 1.130 334 Y CA 0.794 59.072 58.100 0.297 0.000 1.179 334 Y CB -0.723 38.009 38.460 0.453 0.000 0.998 334 Y HN 0.352 nan 8.280 nan 0.000 0.532 335 A N -0.017 122.970 122.820 0.278 0.000 1.908 335 A HA -0.278 4.043 4.320 0.001 0.000 0.218 335 A C 2.069 179.705 177.584 0.088 0.000 1.181 335 A CA 2.000 54.129 52.037 0.154 0.000 0.627 335 A CB -0.663 18.388 19.000 0.085 0.000 0.818 335 A HN 0.542 nan 8.150 nan 0.000 0.445 336 Q N -0.875 118.895 119.800 -0.049 0.000 2.119 336 Q HA -0.057 4.284 4.340 0.001 0.000 0.201 336 Q C 2.262 178.231 176.000 -0.052 0.000 0.972 336 Q CA 0.984 56.683 55.803 -0.175 0.000 0.847 336 Q CB -0.437 28.102 28.738 -0.330 0.000 0.903 336 Q HN 0.683 nan 8.270 nan 0.000 0.433 337 G N 0.509 109.299 108.800 -0.016 0.000 2.491 337 G HA2 -0.254 3.706 3.960 0.001 0.000 0.218 337 G HA3 -0.254 3.706 3.960 0.001 0.000 0.218 337 G C 0.992 175.877 174.900 -0.025 0.000 1.180 337 G CA 0.724 45.785 45.100 -0.065 0.000 0.774 337 G HN 0.257 nan 8.290 nan 0.000 0.562 338 F N 0.270 120.279 119.950 0.097 0.000 2.502 338 F HA 0.222 4.750 4.527 0.001 0.000 0.298 338 F C 2.821 178.598 175.800 -0.038 0.000 1.111 338 F CA 0.574 58.598 58.000 0.040 0.000 1.445 338 F CB -0.086 38.941 39.000 0.044 0.000 1.081 338 F HN 0.042 nan 8.300 nan 0.000 0.558 339 M N -0.663 119.014 119.600 0.128 0.000 2.229 339 M HA -0.210 4.270 4.480 0.001 0.000 0.264 339 M C 2.290 178.633 176.300 0.073 0.000 1.063 339 M CA 1.406 56.746 55.300 0.067 0.000 1.114 339 M CB -0.385 32.241 32.600 0.043 0.000 1.387 339 M HN 0.240 nan 8.290 nan 0.000 0.420 340 L N -0.000 121.275 121.223 0.087 0.000 1.994 340 L HA -0.243 4.097 4.340 0.001 0.000 0.208 340 L C 2.276 179.278 176.870 0.221 0.000 1.071 340 L CA 1.180 56.110 54.840 0.150 0.000 0.745 340 L CB -0.243 41.894 42.059 0.130 0.000 0.892 340 L HN 0.253 nan 8.230 nan 0.000 0.431 341 L N -0.006 121.353 121.223 0.226 0.000 2.043 341 L HA -0.278 4.063 4.340 0.001 0.000 0.212 341 L C 2.701 179.719 176.870 0.247 0.000 1.075 341 L CA 1.711 56.732 54.840 0.301 0.000 0.752 341 L CB -1.163 41.050 42.059 0.257 0.000 0.891 341 L HN 0.276 nan 8.230 nan 0.000 0.432 342 R N -0.951 119.618 120.500 0.114 0.000 2.073 342 R HA -0.235 4.106 4.340 0.001 0.000 0.234 342 R C 2.318 178.640 176.300 0.037 0.000 1.134 342 R CA 1.653 57.789 56.100 0.060 0.000 0.952 342 R CB -0.124 30.128 30.300 -0.079 0.000 0.850 342 R HN 0.283 nan 8.270 nan 0.000 0.433 343 Q N 0.046 119.851 119.800 0.009 0.000 2.167 343 Q HA -0.023 4.318 4.340 0.001 0.000 0.202 343 Q C 1.685 177.531 176.000 -0.256 0.000 0.970 343 Q CA 1.919 57.679 55.803 -0.071 0.000 0.855 343 Q CB -0.157 28.581 28.738 0.000 0.000 0.911 343 Q HN 0.440 nan 8.270 nan 0.000 0.438 344 A N -0.049 122.615 122.820 -0.261 0.000 1.968 344 A HA 0.065 4.386 4.320 0.001 0.000 0.217 344 A C 2.234 179.442 177.584 -0.627 0.000 1.169 344 A CA 1.448 53.127 52.037 -0.597 0.000 0.638 344 A CB -0.935 17.693 19.000 -0.620 0.000 0.812 344 A HN 0.466 nan 8.150 nan 0.000 0.446 345 A N -0.064 122.616 122.820 -0.233 0.000 1.883 345 A HA -0.129 4.192 4.320 0.001 0.000 0.217 345 A C 2.352 179.795 177.584 -0.235 0.000 1.186 345 A CA 2.469 54.444 52.037 -0.104 0.000 0.624 345 A CB -1.377 17.708 19.000 0.142 0.000 0.822 345 A HN 0.556 nan 8.150 nan 0.000 0.444 346 T N -1.351 113.070 114.554 -0.222 0.000 2.867 346 T HA -0.078 4.273 4.350 0.001 0.000 0.268 346 T C 1.725 176.195 174.700 -0.382 0.000 1.057 346 T CA 1.442 63.406 62.100 -0.226 0.000 1.136 346 T CB -0.175 68.603 68.868 -0.150 0.000 0.874 346 T HN 0.463 nan 8.240 nan 0.000 0.466 347 E N 0.855 120.673 120.200 -0.637 0.000 2.047 347 E HA 0.028 4.379 4.350 0.001 0.000 0.191 347 E C 1.060 177.030 176.600 -1.049 0.000 0.987 347 E CA 1.048 56.865 56.400 -0.971 0.000 0.799 347 E CB -0.252 28.501 29.700 -1.578 0.000 0.752 347 E HN 0.631 nan 8.360 nan 0.000 0.449 348 F N -1.373 118.120 119.950 -0.763 0.000 2.704 348 F HA 0.392 4.920 4.527 0.001 0.000 0.304 348 F C 1.146 176.564 175.800 -0.637 0.000 1.094 348 F CA 0.303 57.830 58.000 -0.787 0.000 1.275 348 F CB 0.709 38.909 39.000 -1.334 0.000 1.073 348 F HN 0.071 nan 8.300 nan 0.000 0.586 349 G N 0.452 109.013 108.800 -0.399 0.000 2.368 349 G HA2 -0.244 3.717 3.960 0.001 0.000 0.290 349 G HA3 -0.244 3.717 3.960 0.001 0.000 0.290 349 G C -0.532 174.374 174.900 0.010 0.000 1.098 349 G CA -0.491 44.515 45.100 -0.157 0.000 1.073 349 G HN 0.177 nan 8.290 nan 0.000 0.511 350 W N -0.343 120.945 121.300 -0.020 0.000 2.627 350 W HA 0.645 5.305 4.660 0.000 0.000 0.339 350 W C 0.267 176.747 176.519 -0.066 0.000 1.058 350 W CA -1.027 56.291 57.345 -0.046 0.000 1.223 350 W CB 1.402 30.810 29.460 -0.087 0.000 1.389 350 W HN 0.181 nan 8.180 nan 0.000 0.541 351 T N 3.790 118.431 114.554 0.146 0.000 3.016 351 T HA 0.446 4.796 4.350 0.001 0.000 0.335 351 T C 0.272 174.925 174.700 -0.078 0.000 1.176 351 T CA -0.451 61.661 62.100 0.021 0.000 0.987 351 T CB 0.004 68.877 68.868 0.008 0.000 1.073 351 T HN 0.014 nan 8.240 nan 0.000 0.547 352 L N 2.866 123.994 121.223 -0.159 0.000 2.418 352 L HA 0.449 4.790 4.340 0.001 0.000 0.265 352 L C 0.786 177.301 176.870 -0.592 0.000 1.143 352 L CA -0.914 53.727 54.840 -0.332 0.000 0.809 352 L CB 0.519 42.418 42.059 -0.266 0.000 1.124 352 L HN 0.446 nan 8.230 nan 0.000 0.456 353 N N 0.893 119.299 118.700 -0.489 0.000 2.527 353 N HA 0.118 4.859 4.740 0.001 0.000 0.236 353 N C 0.258 175.463 175.510 -0.507 0.000 0.999 353 N CA -0.256 52.520 53.050 -0.457 0.000 0.935 353 N CB 0.619 38.961 38.487 -0.243 0.000 1.132 353 N HN 0.336 nan 8.380 nan 0.000 0.511 354 Y N 1.971 122.089 120.300 -0.304 0.000 2.224 354 Y HA 0.059 4.610 4.550 0.002 0.000 0.289 354 Y C 2.283 177.910 175.900 -0.456 0.000 1.146 354 Y CA 1.393 59.188 58.100 -0.508 0.000 1.182 354 Y CB -0.591 37.155 38.460 -1.191 0.000 0.983 354 Y HN 0.635 nan 8.280 nan 0.000 0.524 355 G N -0.351 108.336 108.800 -0.189 0.000 2.422 355 G HA2 -0.151 3.810 3.960 0.001 0.000 0.218 355 G HA3 -0.151 3.810 3.960 0.001 0.000 0.218 355 G C 2.043 176.900 174.900 -0.072 0.000 1.140 355 G CA 0.838 45.926 45.100 -0.020 0.000 0.775 355 G HN 0.525 nan 8.290 nan 0.000 0.545 356 G N 1.270 109.992 108.800 -0.128 0.000 2.433 356 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 356 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 356 G C 1.761 176.545 174.900 -0.193 0.000 1.186 356 G CA 0.900 45.917 45.100 -0.138 0.000 0.779 356 G HN 0.431 nan 8.290 nan 0.000 0.543 357 I N 1.559 121.958 120.570 -0.285 0.000 2.127 357 I HA -0.203 3.967 4.170 0.001 0.000 0.241 357 I C 3.335 179.101 176.117 -0.584 0.000 1.075 357 I CA 1.106 62.097 61.300 -0.515 0.000 1.334 357 I CB -0.318 37.352 38.000 -0.550 0.000 1.040 357 I HN 0.240 nan 8.210 nan 0.000 0.405 358 A N 0.841 123.515 122.820 -0.242 0.000 1.917 358 A HA -0.220 4.101 4.320 0.001 0.000 0.219 358 A C 2.371 179.986 177.584 0.051 0.000 1.182 358 A CA 1.576 53.621 52.037 0.014 0.000 0.633 358 A CB -0.855 18.188 19.000 0.071 0.000 0.819 358 A HN 0.450 nan 8.150 nan 0.000 0.448 359 L N -0.646 120.569 121.223 -0.013 0.000 2.017 359 L HA -0.117 4.223 4.340 0.001 0.000 0.208 359 L C 2.404 179.293 176.870 0.032 0.000 1.073 359 L CA 2.316 57.168 54.840 0.021 0.000 0.745 359 L CB -0.868 41.190 42.059 -0.003 0.000 0.894 359 L HN 0.485 nan 8.230 nan 0.000 0.432 360 M N -1.852 117.721 119.600 -0.045 0.000 2.358 360 M HA -0.238 4.243 4.480 0.001 0.000 0.264 360 M C 1.347 177.764 176.300 0.195 0.000 1.064 360 M CA 1.387 56.690 55.300 0.005 0.000 1.093 360 M CB -0.323 32.219 32.600 -0.097 0.000 1.401 360 M HN 0.315 nan 8.290 nan 0.000 0.440 361 W N -0.747 120.588 121.300 0.057 0.000 3.278 361 W HA 0.219 4.880 4.660 0.002 0.000 0.308 361 W C 2.045 178.645 176.519 0.134 0.000 1.253 361 W CA -0.183 57.221 57.345 0.098 0.000 1.759 361 W CB -0.706 28.878 29.460 0.206 0.000 1.093 361 W HN 0.215 nan 8.180 nan 0.000 0.648 362 R N 0.139 120.812 120.500 0.288 0.000 2.200 362 R HA 0.181 4.521 4.340 0.001 0.000 0.208 362 R C 0.731 177.125 176.300 0.157 0.000 1.033 362 R CA 0.977 57.204 56.100 0.213 0.000 1.000 362 R CB 0.023 30.410 30.300 0.144 0.000 0.906 362 R HN 0.054 nan 8.270 nan 0.000 0.462 363 G N -2.526 106.352 108.800 0.129 0.000 2.660 363 G HA2 0.478 4.438 3.960 0.001 0.000 0.294 363 G HA3 0.478 4.438 3.960 0.001 0.000 0.294 363 G C -0.083 174.849 174.900 0.054 0.000 1.369 363 G CA -0.103 45.044 45.100 0.078 0.000 0.912 363 G HN 0.189 nan 8.290 nan 0.000 0.479 364 G N -0.836 107.966 108.800 0.004 0.000 5.005 364 G HA2 -0.138 3.823 3.960 0.001 0.000 0.251 364 G HA3 -0.138 3.823 3.960 0.001 0.000 0.251 364 G C 1.394 176.259 174.900 -0.058 0.000 1.536 364 G CA 0.660 45.745 45.100 -0.026 0.000 1.060 364 G HN 2.364 nan 8.290 nan 0.000 0.683 365 C N 1.600 120.892 119.300 -0.013 0.000 2.745 365 C HA 0.640 5.101 4.460 0.001 0.000 0.387 365 C C 2.231 177.266 174.990 0.075 0.000 1.312 365 C CA 0.201 59.233 59.018 0.023 0.000 2.204 365 C CB -0.216 27.508 27.740 -0.027 0.000 2.686 365 C HN 0.659 nan 8.230 nan 0.000 0.705 366 I N 1.984 122.659 120.570 0.175 0.000 2.423 366 I HA -0.165 4.006 4.170 0.001 0.000 0.254 366 I C 2.109 178.450 176.117 0.373 0.000 1.151 366 I CA 1.637 63.120 61.300 0.305 0.000 1.421 366 I CB -0.443 37.714 38.000 0.263 0.000 1.079 366 I HN 0.800 nan 8.210 nan 0.000 0.431 367 I N -0.159 120.581 120.570 0.284 0.000 3.810 367 I HA 0.106 4.277 4.170 0.001 0.000 0.322 367 I C 0.931 177.245 176.117 0.328 0.000 1.288 367 I CA -0.433 61.036 61.300 0.282 0.000 1.143 367 I CB -0.723 37.412 38.000 0.224 0.000 1.012 367 I HN 0.097 nan 8.210 nan 0.000 0.423 368 R N 2.536 123.208 120.500 0.286 0.000 2.585 368 R HA 0.379 4.720 4.340 0.001 0.000 0.275 368 R C -0.372 176.091 176.300 0.272 0.000 1.018 368 R CA 0.397 56.648 56.100 0.252 0.000 1.072 368 R CB 0.219 30.607 30.300 0.147 0.000 0.953 368 R HN 0.489 nan 8.270 nan 0.000 0.419 369 S N 0.354 116.208 115.700 0.257 0.000 2.578 369 S HA 0.090 4.561 4.470 0.001 0.000 0.272 369 S C 0.495 175.222 174.600 0.212 0.000 1.145 369 S CA -0.763 57.583 58.200 0.243 0.000 0.835 369 S CB 1.231 64.604 63.200 0.288 0.000 1.104 369 S HN 0.231 nan 8.310 nan 0.000 0.458 370 V N 1.021 121.044 119.914 0.181 0.000 2.453 370 V HA -0.118 4.003 4.120 0.001 0.000 0.252 370 V C 2.011 178.196 176.094 0.150 0.000 1.068 370 V CA 2.577 64.957 62.300 0.133 0.000 1.070 370 V CB -1.231 30.658 31.823 0.109 0.000 0.664 370 V HN 0.802 nan 8.190 nan 0.000 0.461 371 F N 0.312 120.312 119.950 0.084 0.000 2.065 371 F HA -0.216 4.312 4.527 0.002 0.000 0.298 371 F C 2.120 177.981 175.800 0.101 0.000 1.112 371 F CA 1.652 59.713 58.000 0.102 0.000 1.212 371 F CB -0.333 38.703 39.000 0.059 0.000 0.975 371 F HN 0.017 nan 8.300 nan 0.000 0.476 372 L N 0.272 121.538 121.223 0.072 0.000 2.261 372 L HA -0.161 4.180 4.340 0.001 0.000 0.216 372 L C 2.633 179.512 176.870 0.014 0.000 1.114 372 L CA 1.657 56.541 54.840 0.073 0.000 0.777 372 L CB -2.451 39.780 42.059 0.286 0.000 0.910 372 L HN 0.385 nan 8.230 nan 0.000 0.440 373 G N -0.355 108.444 108.800 -0.002 0.000 2.414 373 G HA2 -0.227 3.734 3.960 0.001 0.000 0.215 373 G HA3 -0.227 3.734 3.960 0.001 0.000 0.215 373 G C 1.729 176.566 174.900 -0.105 0.000 1.188 373 G CA 0.149 45.230 45.100 -0.032 0.000 0.783 373 G HN 0.244 nan 8.290 nan 0.000 0.537 374 K N 0.165 120.449 120.400 -0.194 0.000 2.147 374 K HA 0.050 4.371 4.320 0.001 0.000 0.205 374 K C 2.451 178.991 176.600 -0.099 0.000 1.049 374 K CA 0.573 56.664 56.287 -0.328 0.000 0.936 374 K CB -0.272 31.860 32.500 -0.614 0.000 0.722 374 K HN 0.387 nan 8.250 nan 0.000 0.446 375 I N 1.146 121.696 120.570 -0.034 0.000 2.226 375 I HA -0.279 3.892 4.170 0.001 0.000 0.245 375 I C 2.669 178.814 176.117 0.047 0.000 1.100 375 I CA 1.167 62.467 61.300 -0.001 0.000 1.374 375 I CB -0.226 37.675 38.000 -0.165 0.000 1.057 375 I HN 0.174 nan 8.210 nan 0.000 0.413 376 K N 1.430 121.855 120.400 0.041 0.000 2.057 376 K HA -0.240 4.080 4.320 0.001 0.000 0.207 376 K C 1.338 177.974 176.600 0.060 0.000 1.049 376 K CA 2.316 58.652 56.287 0.083 0.000 0.931 376 K CB -0.150 32.373 32.500 0.038 0.000 0.714 376 K HN 0.498 nan 8.250 nan 0.000 0.440 377 D N -0.696 119.692 120.400 -0.020 0.000 2.349 377 D HA 0.012 4.653 4.640 0.001 0.000 0.224 377 D C 1.400 177.661 176.300 -0.066 0.000 1.029 377 D CA 0.530 54.506 54.000 -0.041 0.000 0.879 377 D CB 0.327 41.078 40.800 -0.082 0.000 0.906 377 D HN 0.221 nan 8.370 nan 0.000 0.528 378 A N 0.370 123.135 122.820 -0.092 0.000 1.872 378 A HA -0.006 4.315 4.320 0.001 0.000 0.214 378 A C 1.551 178.990 177.584 -0.241 0.000 1.187 378 A CA 0.658 52.593 52.037 -0.170 0.000 0.614 378 A CB -0.837 18.058 19.000 -0.176 0.000 0.826 378 A HN 0.254 nan 8.150 nan 0.000 0.442 379 F N 0.516 120.467 119.950 0.002 0.000 2.615 379 F HA 0.008 4.535 4.527 0.001 0.000 0.297 379 F C 1.703 177.510 175.800 0.013 0.000 1.124 379 F CA 0.756 58.763 58.000 0.012 0.000 1.451 379 F CB -0.100 38.901 39.000 0.003 0.000 1.103 379 F HN 0.189 nan 8.300 nan 0.000 0.569 380 D N -0.166 120.308 120.400 0.123 0.000 2.103 380 D HA -0.089 4.552 4.640 0.001 0.000 0.199 380 D C 2.314 178.642 176.300 0.046 0.000 0.978 380 D CA 0.811 54.855 54.000 0.073 0.000 0.829 380 D CB -0.375 40.447 40.800 0.036 0.000 0.981 380 D HN 0.112 nan 8.370 nan 0.000 0.464 381 R N 0.005 120.514 120.500 0.016 0.000 2.139 381 R HA -0.118 4.223 4.340 0.001 0.000 0.243 381 R C 0.039 176.350 176.300 0.019 0.000 1.145 381 R CA 1.003 57.105 56.100 0.003 0.000 0.976 381 R CB 0.134 30.420 30.300 -0.025 0.000 0.866 381 R HN 0.026 nan 8.270 nan 0.000 0.449 382 N N -1.623 117.099 118.700 0.037 0.000 2.699 382 N HA 0.077 4.818 4.740 0.001 0.000 0.271 382 N C -2.520 173.076 175.510 0.144 0.000 1.216 382 N CA -1.458 51.630 53.050 0.064 0.000 0.844 382 N CB 1.847 40.356 38.487 0.035 0.000 1.462 382 N HN -0.178 nan 8.380 nan 0.000 0.555 383 P HA 0.148 nan 4.420 nan 0.000 0.245 383 P C 0.725 178.194 177.300 0.282 0.000 1.212 383 P CA 0.416 63.673 63.100 0.261 0.000 0.774 383 P CB 0.237 32.028 31.700 0.151 0.000 0.999 384 G N 0.037 108.963 108.800 0.211 0.000 3.277 384 G HA2 0.137 4.097 3.960 0.001 0.000 0.243 384 G HA3 0.137 4.097 3.960 0.001 0.000 0.243 384 G C 0.245 175.259 174.900 0.191 0.000 1.107 384 G CA -0.161 45.053 45.100 0.191 0.000 0.771 384 G HN 0.176 nan 8.290 nan 0.000 0.544 385 L N 0.813 122.166 121.223 0.217 0.000 2.601 385 L HA 0.099 4.440 4.340 0.001 0.000 0.277 385 L C 1.537 178.515 176.870 0.179 0.000 1.219 385 L CA 0.576 55.507 54.840 0.151 0.000 0.915 385 L CB 0.699 42.781 42.059 0.038 0.000 1.160 385 L HN 0.222 nan 8.230 nan 0.000 0.494 386 Q N 2.637 122.517 119.800 0.133 0.000 2.137 386 Q HA 0.057 4.398 4.340 0.001 0.000 0.198 386 Q C 0.055 176.139 176.000 0.140 0.000 0.960 386 Q CA 0.971 56.853 55.803 0.132 0.000 0.847 386 Q CB 0.258 29.075 28.738 0.132 0.000 0.915 386 Q HN 0.743 nan 8.270 nan 0.000 0.448 387 N N -0.875 117.911 118.700 0.143 0.000 2.406 387 N HA 0.005 4.746 4.740 0.001 0.000 0.283 387 N C -0.205 175.354 175.510 0.082 0.000 1.074 387 N CA -0.130 53.003 53.050 0.138 0.000 0.916 387 N CB 1.459 40.071 38.487 0.209 0.000 1.639 387 N HN 0.057 nan 8.380 nan 0.000 0.485 388 L N 3.762 124.996 121.223 0.017 0.000 2.137 388 L HA -0.082 4.259 4.340 0.001 0.000 0.213 388 L C 1.916 178.808 176.870 0.037 0.000 1.085 388 L CA 1.703 56.476 54.840 -0.111 0.000 0.760 388 L CB -0.115 41.807 42.059 -0.228 0.000 0.893 388 L HN 0.689 nan 8.230 nan 0.000 0.434 389 L N -1.706 119.590 121.223 0.121 0.000 2.362 389 L HA -0.177 4.164 4.340 0.001 0.000 0.219 389 L C 1.763 178.779 176.870 0.243 0.000 1.134 389 L CA 0.214 55.190 54.840 0.228 0.000 0.807 389 L CB -0.254 41.992 42.059 0.311 0.000 0.927 389 L HN 0.277 nan 8.230 nan 0.000 0.447 390 L N -0.787 120.557 121.223 0.202 0.000 2.558 390 L HA 0.059 4.400 4.340 0.001 0.000 0.225 390 L C 0.621 177.556 176.870 0.109 0.000 1.128 390 L CA 0.611 55.543 54.840 0.153 0.000 0.868 390 L CB -0.468 41.675 42.059 0.139 0.000 1.006 390 L HN 0.104 nan 8.230 nan 0.000 0.454 391 D N -1.090 119.389 120.400 0.131 0.000 2.351 391 D HA -0.032 4.609 4.640 0.001 0.000 0.251 391 D C 1.108 177.458 176.300 0.083 0.000 1.137 391 D CA 0.088 54.148 54.000 0.099 0.000 0.879 391 D CB 0.775 41.667 40.800 0.153 0.000 1.181 391 D HN 0.062 nan 8.370 nan 0.000 0.448 392 D N 2.973 123.387 120.400 0.023 0.000 2.172 392 D HA -0.230 4.411 4.640 0.001 0.000 0.196 392 D C 1.491 177.745 176.300 -0.078 0.000 0.999 392 D CA 0.983 54.977 54.000 -0.009 0.000 0.856 392 D CB -0.073 40.723 40.800 -0.006 0.000 0.934 392 D HN 0.501 nan 8.370 nan 0.000 0.453 393 F N 1.087 120.881 119.950 -0.261 0.000 2.069 393 F HA -0.240 4.288 4.527 0.001 0.000 0.298 393 F C 1.994 177.544 175.800 -0.416 0.000 1.113 393 F CA 1.424 59.176 58.000 -0.414 0.000 1.214 393 F CB -0.527 38.056 39.000 -0.694 0.000 0.978 393 F HN -0.166 nan 8.300 nan 0.000 0.474 394 F N 0.694 120.545 119.950 -0.165 0.000 2.128 394 F HA -0.063 4.465 4.527 0.001 0.000 0.295 394 F C 2.542 178.245 175.800 -0.161 0.000 1.100 394 F CA 1.478 59.373 58.000 -0.175 0.000 1.260 394 F CB -1.328 37.662 39.000 -0.017 0.000 1.009 394 F HN -0.119 nan 8.300 nan 0.000 0.476 395 K N 0.311 120.757 120.400 0.076 0.000 2.089 395 K HA -0.193 4.128 4.320 0.001 0.000 0.210 395 K C 2.131 178.717 176.600 -0.023 0.000 1.048 395 K CA 1.965 58.292 56.287 0.066 0.000 0.926 395 K CB -0.362 32.180 32.500 0.069 0.000 0.714 395 K HN 0.218 nan 8.250 nan 0.000 0.448 396 S N -0.010 115.616 115.700 -0.124 0.000 2.395 396 S HA 0.005 4.475 4.470 0.001 0.000 0.225 396 S C 1.915 176.386 174.600 -0.216 0.000 1.027 396 S CA 0.809 58.917 58.200 -0.153 0.000 0.965 396 S CB 0.007 63.104 63.200 -0.171 0.000 0.812 396 S HN 0.504 nan 8.310 nan 0.000 0.482 397 A N 1.175 123.781 122.820 -0.357 0.000 1.902 397 A HA -0.045 4.276 4.320 0.001 0.000 0.217 397 A C 2.270 179.699 177.584 -0.258 0.000 1.181 397 A CA 1.433 53.276 52.037 -0.324 0.000 0.623 397 A CB -0.819 17.912 19.000 -0.448 0.000 0.818 397 A HN 0.342 nan 8.150 nan 0.000 0.443 398 V N -0.059 119.701 119.914 -0.257 0.000 2.307 398 V HA -0.244 3.877 4.120 0.001 0.000 0.245 398 V C 2.493 178.490 176.094 -0.161 0.000 1.045 398 V CA 2.163 64.281 62.300 -0.302 0.000 1.024 398 V CB -0.702 30.933 31.823 -0.314 0.000 0.651 398 V HN 0.780 nan 8.190 nan 0.000 0.449 399 E N 0.102 120.263 120.200 -0.066 0.000 2.160 399 E HA -0.261 4.089 4.350 0.001 0.000 0.195 399 E C 2.101 178.698 176.600 -0.006 0.000 0.991 399 E CA 1.459 57.866 56.400 0.011 0.000 0.810 399 E CB -0.108 29.604 29.700 0.020 0.000 0.742 399 E HN 0.639 nan 8.360 nan 0.000 0.466 400 N N -0.460 118.210 118.700 -0.049 0.000 2.207 400 N HA -0.081 4.660 4.740 0.001 0.000 0.182 400 N C 1.725 177.212 175.510 -0.038 0.000 1.020 400 N CA 1.095 54.120 53.050 -0.041 0.000 0.858 400 N CB -0.034 38.417 38.487 -0.059 0.000 0.991 400 N HN 0.270 nan 8.380 nan 0.000 0.427 401 C N 1.085 120.337 119.300 -0.080 0.000 2.448 401 C HA -0.007 4.454 4.460 0.001 0.000 0.280 401 C C 2.652 177.639 174.990 -0.004 0.000 1.398 401 C CA 0.081 59.037 59.018 -0.104 0.000 1.774 401 C CB -0.981 26.601 27.740 -0.262 0.000 1.888 401 C HN 0.516 nan 8.230 nan 0.000 0.519 402 Q N 1.907 121.747 119.800 0.067 0.000 2.012 402 Q HA -0.312 4.029 4.340 0.001 0.000 0.211 402 Q C 1.524 177.636 176.000 0.186 0.000 1.009 402 Q CA 2.771 58.702 55.803 0.214 0.000 0.866 402 Q CB -0.193 28.646 28.738 0.168 0.000 0.945 402 Q HN 0.861 nan 8.270 nan 0.000 0.414 403 D N -1.233 119.235 120.400 0.114 0.000 2.363 403 D HA -0.032 4.609 4.640 0.001 0.000 0.220 403 D C 1.492 177.856 176.300 0.107 0.000 0.994 403 D CA 0.867 54.928 54.000 0.102 0.000 0.890 403 D CB 0.072 40.917 40.800 0.075 0.000 0.906 403 D HN 0.065 nan 8.370 nan 0.000 0.530 404 S N -0.155 115.600 115.700 0.092 0.000 2.355 404 S HA -0.106 4.365 4.470 0.001 0.000 0.222 404 S C 1.271 175.937 174.600 0.109 0.000 1.031 404 S CA 0.635 58.874 58.200 0.065 0.000 0.993 404 S CB -0.576 62.616 63.200 -0.012 0.000 0.859 404 S HN 0.485 nan 8.310 nan 0.000 0.453 405 W N 3.234 124.467 121.300 -0.112 0.000 2.318 405 W HA -0.098 4.562 4.660 0.001 0.000 0.313 405 W C 2.236 178.722 176.519 -0.055 0.000 1.221 405 W CA 1.185 58.442 57.345 -0.146 0.000 1.266 405 W CB -0.650 28.707 29.460 -0.173 0.000 1.150 405 W HN 0.183 nan 8.180 nan 0.000 0.496 406 R N -0.505 120.071 120.500 0.126 0.000 2.066 406 R HA -0.137 4.204 4.340 0.001 0.000 0.232 406 R C 2.428 178.780 176.300 0.087 0.000 1.131 406 R CA 1.618 57.727 56.100 0.014 0.000 0.955 406 R CB -0.799 29.509 30.300 0.013 0.000 0.851 406 R HN 0.137 nan 8.270 nan 0.000 0.432 407 R N 0.692 121.271 120.500 0.131 0.000 2.127 407 R HA -0.122 4.219 4.340 0.001 0.000 0.238 407 R C 2.097 178.568 176.300 0.284 0.000 1.134 407 R CA 1.447 57.660 56.100 0.189 0.000 0.975 407 R CB -0.140 30.281 30.300 0.201 0.000 0.865 407 R HN 0.235 nan 8.270 nan 0.000 0.447 408 A N 0.802 123.767 122.820 0.241 0.000 1.872 408 A HA -0.092 4.229 4.320 0.001 0.000 0.214 408 A C 2.101 179.877 177.584 0.320 0.000 1.187 408 A CA 1.075 53.280 52.037 0.281 0.000 0.614 408 A CB -0.360 18.685 19.000 0.075 0.000 0.826 408 A HN 0.307 nan 8.150 nan 0.000 0.442 409 I N -0.042 120.668 120.570 0.233 0.000 2.179 409 I HA -0.234 3.936 4.170 0.001 0.000 0.242 409 I C 2.720 178.931 176.117 0.156 0.000 1.088 409 I CA 1.447 62.867 61.300 0.201 0.000 1.357 409 I CB -0.305 37.750 38.000 0.092 0.000 1.051 409 I HN 0.250 nan 8.210 nan 0.000 0.409 410 S N 0.405 116.182 115.700 0.129 0.000 2.359 410 S HA -0.216 4.255 4.470 0.001 0.000 0.223 410 S C 2.029 176.699 174.600 0.118 0.000 1.039 410 S CA 2.195 60.457 58.200 0.103 0.000 1.042 410 S CB -0.658 62.597 63.200 0.092 0.000 0.915 410 S HN 0.491 nan 8.310 nan 0.000 0.439 411 T N 1.658 116.313 114.554 0.168 0.000 2.708 411 T HA -0.061 4.289 4.350 0.001 0.000 0.266 411 T C 2.106 176.878 174.700 0.120 0.000 1.037 411 T CA 1.345 63.526 62.100 0.136 0.000 1.146 411 T CB -1.056 67.890 68.868 0.129 0.000 0.865 411 T HN 0.547 nan 8.240 nan 0.000 0.435 412 G N 1.235 110.140 108.800 0.175 0.000 2.446 412 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 412 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 412 G C 1.725 176.666 174.900 0.068 0.000 1.168 412 G CA 0.957 46.131 45.100 0.123 0.000 0.771 412 G HN 0.419 nan 8.290 nan 0.000 0.551 413 V N 0.534 120.495 119.914 0.078 0.000 2.255 413 V HA -0.245 3.876 4.120 0.001 0.000 0.247 413 V C 3.068 179.183 176.094 0.034 0.000 1.051 413 V CA 2.214 64.545 62.300 0.052 0.000 1.018 413 V CB -0.460 31.395 31.823 0.055 0.000 0.641 413 V HN 0.374 nan 8.190 nan 0.000 0.445 414 Q N -0.435 119.387 119.800 0.038 0.000 2.096 414 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 414 Q C 2.251 178.258 176.000 0.012 0.000 0.982 414 Q CA 1.989 57.806 55.803 0.023 0.000 0.850 414 Q CB -0.482 28.272 28.738 0.027 0.000 0.901 414 Q HN 0.678 nan 8.270 nan 0.000 0.422 415 A N -0.444 122.383 122.820 0.012 0.000 2.208 415 A HA 0.293 4.614 4.320 0.001 0.000 0.209 415 A C 1.445 179.013 177.584 -0.026 0.000 1.161 415 A CA 0.979 53.011 52.037 -0.008 0.000 0.782 415 A CB -0.095 18.897 19.000 -0.014 0.000 0.816 415 A HN 0.445 nan 8.150 nan 0.000 0.477 416 G N -1.187 107.603 108.800 -0.017 0.000 2.137 416 G HA2 -0.198 3.762 3.960 0.001 0.000 0.237 416 G HA3 -0.198 3.762 3.960 0.001 0.000 0.237 416 G C -0.133 174.735 174.900 -0.053 0.000 1.002 416 G CA 0.226 45.312 45.100 -0.024 0.000 0.702 416 G HN 0.335 nan 8.290 nan 0.000 0.515 417 I N 2.736 123.262 120.570 -0.072 0.000 2.371 417 I HA 0.345 4.516 4.170 0.001 0.000 0.290 417 I C -1.302 174.800 176.117 -0.025 0.000 1.028 417 I CA -2.822 58.393 61.300 -0.142 0.000 1.345 417 I CB 1.059 38.940 38.000 -0.198 0.000 1.407 417 I HN -0.027 nan 8.210 nan 0.000 0.501 418 P HA 0.092 nan 4.420 nan 0.000 0.265 418 P C -0.777 176.556 177.300 0.055 0.000 1.222 418 P CA 0.036 63.177 63.100 0.068 0.000 0.767 418 P CB 0.358 32.117 31.700 0.099 0.000 0.801 419 M N 5.781 125.404 119.600 0.038 0.000 3.124 419 M HA 0.195 4.675 4.480 0.001 0.000 0.298 419 M C -1.530 174.812 176.300 0.070 0.000 1.403 419 M CA -1.756 53.546 55.300 0.003 0.000 0.651 419 M CB 1.715 34.337 32.600 0.037 0.000 1.412 419 M HN 0.150 nan 8.290 nan 0.000 0.477 420 P HA -0.201 nan 4.420 nan 0.000 0.214 420 P C 1.114 178.502 177.300 0.146 0.000 1.169 420 P CA 1.955 65.115 63.100 0.100 0.000 0.908 420 P CB 0.024 31.778 31.700 0.089 0.000 0.791 421 C N -2.109 117.282 119.300 0.151 0.000 2.440 421 C HA -0.044 4.417 4.460 0.001 0.000 0.278 421 C C 2.783 177.986 174.990 0.356 0.000 1.295 421 C CA 0.260 59.405 59.018 0.212 0.000 1.738 421 C CB -2.241 25.607 27.740 0.179 0.000 1.987 421 C HN 0.104 nan 8.230 nan 0.000 0.492 422 F N 2.266 122.321 119.950 0.176 0.000 2.186 422 F HA -0.104 4.424 4.527 0.001 0.000 0.299 422 F C 2.698 178.632 175.800 0.222 0.000 1.090 422 F CA 1.877 60.027 58.000 0.250 0.000 1.307 422 F CB -1.469 37.667 39.000 0.227 0.000 1.019 422 F HN 0.336 nan 8.300 nan 0.000 0.489 423 T N -3.249 111.497 114.554 0.321 0.000 2.851 423 T HA -0.121 4.230 4.350 0.001 0.000 0.262 423 T C 1.951 176.743 174.700 0.153 0.000 1.043 423 T CA 1.558 63.759 62.100 0.169 0.000 1.140 423 T CB -1.207 67.738 68.868 0.130 0.000 0.872 423 T HN 0.252 nan 8.240 nan 0.000 0.446 424 T N 1.964 116.629 114.554 0.186 0.000 2.778 424 T HA -0.036 4.315 4.350 0.001 0.000 0.269 424 T C 2.333 177.188 174.700 0.258 0.000 1.050 424 T CA 1.148 63.364 62.100 0.194 0.000 1.137 424 T CB -0.869 68.108 68.868 0.182 0.000 0.860 424 T HN 0.550 nan 8.240 nan 0.000 0.468 425 A N 1.439 124.446 122.820 0.311 0.000 1.873 425 A HA 0.147 4.467 4.320 0.001 0.000 0.215 425 A C 2.410 180.230 177.584 0.393 0.000 1.186 425 A CA 1.097 53.402 52.037 0.447 0.000 0.616 425 A CB -0.945 18.394 19.000 0.564 0.000 0.823 425 A HN 0.474 nan 8.150 nan 0.000 0.442 426 L N -0.210 121.032 121.223 0.032 0.000 2.046 426 L HA -0.174 4.167 4.340 0.001 0.000 0.208 426 L C 2.837 179.677 176.870 -0.050 0.000 1.077 426 L CA 1.715 56.314 54.840 -0.402 0.000 0.747 426 L CB -0.326 41.368 42.059 -0.607 0.000 0.896 426 L HN 0.398 nan 8.230 nan 0.000 0.432 427 S N -0.296 115.430 115.700 0.043 0.000 2.370 427 S HA -0.232 4.238 4.470 0.001 0.000 0.226 427 S C 1.676 176.361 174.600 0.141 0.000 1.033 427 S CA 1.561 59.807 58.200 0.077 0.000 1.011 427 S CB -0.464 62.794 63.200 0.096 0.000 0.852 427 S HN 0.408 nan 8.310 nan 0.000 0.457 428 F N 1.379 121.408 119.950 0.131 0.000 2.113 428 F HA -0.094 4.434 4.527 0.001 0.000 0.297 428 F C 2.142 178.081 175.800 0.232 0.000 1.103 428 F CA 1.059 59.157 58.000 0.162 0.000 1.248 428 F CB -0.773 38.320 39.000 0.156 0.000 0.999 428 F HN 0.185 nan 8.300 nan 0.000 0.475 429 Y N 1.660 121.989 120.300 0.049 0.000 2.081 429 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 429 Y C 2.280 178.167 175.900 -0.022 0.000 1.163 429 Y CA 2.354 60.475 58.100 0.034 0.000 1.135 429 Y CB -0.994 37.579 38.460 0.188 0.000 0.970 429 Y HN 0.100 nan 8.280 nan 0.000 0.498 430 D N -0.612 119.739 120.400 -0.082 0.000 2.219 430 D HA -0.093 4.548 4.640 0.001 0.000 0.205 430 D C 2.323 178.621 176.300 -0.004 0.000 0.970 430 D CA 1.241 55.193 54.000 -0.080 0.000 0.851 430 D CB -0.763 40.040 40.800 0.005 0.000 0.943 430 D HN 0.547 nan 8.370 nan 0.000 0.488 431 G N -0.155 108.599 108.800 -0.076 0.000 2.414 431 G HA2 -0.308 3.653 3.960 0.001 0.000 0.215 431 G HA3 -0.308 3.653 3.960 0.001 0.000 0.215 431 G C 1.588 176.437 174.900 -0.084 0.000 1.188 431 G CA 0.429 45.485 45.100 -0.073 0.000 0.783 431 G HN 0.255 nan 8.290 nan 0.000 0.537 432 Y N 1.622 121.679 120.300 -0.404 0.000 2.181 432 Y HA -0.037 4.513 4.550 0.001 0.000 0.288 432 Y C 3.024 178.779 175.900 -0.241 0.000 1.146 432 Y CA 1.526 59.400 58.100 -0.377 0.000 1.164 432 Y CB -0.164 37.902 38.460 -0.657 0.000 0.982 432 Y HN 0.082 nan 8.280 nan 0.000 0.515 433 R N -0.893 119.433 120.500 -0.289 0.000 2.127 433 R HA -0.139 4.202 4.340 0.001 0.000 0.238 433 R C 0.272 176.390 176.300 -0.303 0.000 1.134 433 R CA 0.954 56.836 56.100 -0.363 0.000 0.975 433 R CB -0.461 29.550 30.300 -0.482 0.000 0.865 433 R HN 0.317 nan 8.270 nan 0.000 0.447 434 H N -0.539 118.398 119.070 -0.222 0.000 2.668 434 H HA 0.158 4.714 4.556 0.001 0.000 0.303 434 H C 0.585 175.825 175.328 -0.146 0.000 1.074 434 H CA -0.016 55.938 56.048 -0.157 0.000 1.406 434 H CB 1.680 31.369 29.762 -0.121 0.000 1.442 434 H HN 0.200 nan 8.280 nan 0.000 0.482 435 A N 4.009 126.799 122.820 -0.050 0.000 2.167 435 A HA -0.039 4.281 4.320 0.001 0.000 0.214 435 A C 0.771 178.349 177.584 -0.011 0.000 1.151 435 A CA 0.593 52.597 52.037 -0.055 0.000 0.735 435 A CB 0.037 18.994 19.000 -0.071 0.000 0.802 435 A HN 0.544 nan 8.150 nan 0.000 0.467 436 M N -0.112 119.507 119.600 0.031 0.000 2.213 436 M HA 0.622 5.103 4.480 0.001 0.000 0.286 436 M C -1.706 174.607 176.300 0.022 0.000 1.008 436 M CA -0.376 54.938 55.300 0.023 0.000 0.937 436 M CB 1.335 33.949 32.600 0.022 0.000 1.600 436 M HN 0.081 nan 8.290 nan 0.000 0.450 437 L N 6.317 127.533 121.223 -0.010 0.000 2.341 437 L HA 0.696 5.037 4.340 0.001 0.000 0.267 437 L C -1.500 175.344 176.870 -0.044 0.000 1.009 437 L CA -1.647 53.163 54.840 -0.050 0.000 0.819 437 L CB 2.525 44.565 42.059 -0.033 0.000 1.323 437 L HN 0.576 nan 8.230 nan 0.000 0.425 438 P HA -0.031 nan 4.420 nan 0.000 0.269 438 P C 0.632 177.911 177.300 -0.035 0.000 1.376 438 P CA 0.196 63.267 63.100 -0.048 0.000 0.775 438 P CB 0.265 31.929 31.700 -0.060 0.000 1.345 439 A N 1.712 124.519 122.820 -0.022 0.000 2.121 439 A HA -0.163 4.158 4.320 0.001 0.000 0.218 439 A C 2.037 179.614 177.584 -0.011 0.000 1.154 439 A CA 1.160 53.191 52.037 -0.010 0.000 0.679 439 A CB -0.935 18.069 19.000 0.008 0.000 0.795 439 A HN 0.330 nan 8.150 nan 0.000 0.458 440 N N 0.317 119.009 118.700 -0.014 0.000 2.309 440 N HA -0.128 4.613 4.740 0.001 0.000 0.182 440 N C 1.370 176.847 175.510 -0.054 0.000 1.018 440 N CA 1.431 54.472 53.050 -0.016 0.000 0.876 440 N CB -0.706 37.777 38.487 -0.008 0.000 0.972 440 N HN 0.353 nan 8.380 nan 0.000 0.434 441 L N 0.890 122.074 121.223 -0.064 0.000 2.072 441 L HA 0.072 4.413 4.340 0.001 0.000 0.205 441 L C 2.119 178.922 176.870 -0.111 0.000 1.079 441 L CA 1.053 55.834 54.840 -0.098 0.000 0.752 441 L CB -0.557 41.455 42.059 -0.079 0.000 0.906 441 L HN 0.011 nan 8.230 nan 0.000 0.436 442 I N -0.482 120.044 120.570 -0.073 0.000 2.151 442 I HA -0.328 3.843 4.170 0.001 0.000 0.243 442 I C 2.498 178.547 176.117 -0.113 0.000 1.080 442 I CA 1.374 62.632 61.300 -0.069 0.000 1.339 442 I CB -1.287 36.693 38.000 -0.033 0.000 1.039 442 I HN 0.422 nan 8.210 nan 0.000 0.409 443 Q N 0.431 120.186 119.800 -0.075 0.000 2.084 443 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 443 Q C 2.423 178.366 176.000 -0.096 0.000 0.978 443 Q CA 1.881 57.660 55.803 -0.040 0.000 0.844 443 Q CB -0.374 28.390 28.738 0.045 0.000 0.898 443 Q HN 0.584 nan 8.270 nan 0.000 0.426 444 A N 0.915 123.618 122.820 -0.195 0.000 1.898 444 A HA -0.227 4.094 4.320 0.001 0.000 0.216 444 A C 2.111 179.388 177.584 -0.511 0.000 1.181 444 A CA 1.519 53.334 52.037 -0.370 0.000 0.620 444 A CB -0.497 18.270 19.000 -0.388 0.000 0.819 444 A HN 0.381 nan 8.150 nan 0.000 0.442 445 Q N -0.766 118.785 119.800 -0.415 0.000 2.050 445 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 445 Q C 2.390 177.955 176.000 -0.726 0.000 0.980 445 Q CA 1.725 57.264 55.803 -0.440 0.000 0.840 445 Q CB -0.189 28.422 28.738 -0.212 0.000 0.898 445 Q HN 0.593 nan 8.270 nan 0.000 0.424 446 R N 0.312 120.391 120.500 -0.701 0.000 2.096 446 R HA -0.160 4.181 4.340 0.001 0.000 0.235 446 R C 1.811 177.972 176.300 -0.231 0.000 1.127 446 R CA 1.565 57.203 56.100 -0.770 0.000 0.968 446 R CB -0.125 29.936 30.300 -0.399 0.000 0.861 446 R HN 0.264 nan 8.270 nan 0.000 0.440 447 D N -0.744 119.646 120.400 -0.017 0.000 2.178 447 D HA -0.183 4.457 4.640 0.001 0.000 0.202 447 D C 1.502 177.977 176.300 0.292 0.000 0.974 447 D CA 0.870 55.042 54.000 0.286 0.000 0.841 447 D CB 0.064 41.179 40.800 0.525 0.000 0.953 447 D HN 0.138 nan 8.370 nan 0.000 0.478 448 Y N 0.496 120.663 120.300 -0.222 0.000 2.117 448 Y HA -0.118 4.433 4.550 0.001 0.000 0.277 448 Y C 1.952 177.890 175.900 0.062 0.000 1.104 448 Y CA 1.915 59.887 58.100 -0.213 0.000 1.089 448 Y CB -1.184 36.897 38.460 -0.631 0.000 0.999 448 Y HN 0.106 nan 8.280 nan 0.000 0.480 449 F N -0.896 119.231 119.950 0.295 0.000 2.365 449 F HA 0.240 4.768 4.527 0.001 0.000 0.300 449 F C 1.684 177.578 175.800 0.156 0.000 1.090 449 F CA 1.007 59.127 58.000 0.201 0.000 1.408 449 F CB -0.969 38.065 39.000 0.056 0.000 1.060 449 F HN 0.040 nan 8.300 nan 0.000 0.534 450 G N -1.178 107.779 108.800 0.261 0.000 4.424 450 G HA2 0.450 4.411 3.960 0.001 0.000 0.287 450 G HA3 0.450 4.411 3.960 0.001 0.000 0.287 450 G C 0.764 175.536 174.900 -0.214 0.000 1.023 450 G CA -0.114 45.054 45.100 0.112 0.000 0.790 450 G HN 0.818 nan 8.290 nan 0.000 0.468 451 A N 0.274 123.101 122.820 0.010 0.000 2.798 451 A HA -0.259 4.062 4.320 0.001 0.000 0.282 451 A C 1.375 178.959 177.584 -0.000 0.000 1.464 451 A CA 1.340 53.362 52.037 -0.024 0.000 0.844 451 A CB -2.339 16.535 19.000 -0.210 0.000 1.006 451 A HN 0.579 nan 8.150 nan 0.000 0.577 452 H N 0.221 119.368 119.070 0.129 0.000 2.547 452 H HA 0.085 4.641 4.556 0.001 0.000 0.272 452 H C 1.424 176.831 175.328 0.132 0.000 0.989 452 H CA 2.260 58.360 56.048 0.087 0.000 1.214 452 H CB -0.197 29.583 29.762 0.030 0.000 1.389 452 H HN 1.555 nan 8.280 nan 0.000 0.577 453 T N -1.308 113.471 114.554 0.374 0.000 0.541 453 T HA -0.210 4.141 4.350 0.001 0.000 0.774 453 T C -0.654 174.325 174.700 0.465 0.000 0.992 453 T CA 0.457 62.779 62.100 0.370 0.000 4.077 453 T CB -1.381 67.625 68.868 0.231 0.000 2.303 453 T HN 0.584 nan 8.240 nan 0.000 0.398 454 Y N -1.414 119.108 120.300 0.369 0.000 2.638 454 Y HA 0.826 5.377 4.550 0.001 0.000 0.335 454 Y C -0.734 175.236 175.900 0.115 0.000 1.155 454 Y CA -1.422 56.846 58.100 0.279 0.000 1.046 454 Y CB 1.073 39.647 38.460 0.191 0.000 1.303 454 Y HN 0.971 nan 8.280 nan 0.000 0.460 455 E N 2.187 122.366 120.200 -0.035 0.000 2.222 455 E HA 0.459 4.810 4.350 0.001 0.000 0.272 455 E C -1.103 175.491 176.600 -0.010 0.000 0.982 455 E CA -1.127 55.103 56.400 -0.283 0.000 0.842 455 E CB 1.746 31.213 29.700 -0.388 0.000 1.144 455 E HN 0.390 nan 8.360 nan 0.000 0.397 456 L N 2.346 123.535 121.223 -0.057 0.000 2.421 456 L HA 0.074 4.415 4.340 0.001 0.000 0.263 456 L C 1.240 178.109 176.870 -0.002 0.000 1.122 456 L CA 0.107 54.971 54.840 0.039 0.000 0.804 456 L CB 0.866 42.931 42.059 0.011 0.000 1.150 456 L HN 0.653 nan 8.230 nan 0.000 0.457 457 L N 2.611 123.847 121.223 0.022 0.000 2.046 457 L HA -0.019 4.322 4.340 0.001 0.000 0.208 457 L C 1.028 177.889 176.870 -0.014 0.000 1.077 457 L CA 1.304 56.147 54.840 0.004 0.000 0.747 457 L CB -0.451 41.616 42.059 0.013 0.000 0.896 457 L HN 0.700 nan 8.230 nan 0.000 0.432 458 A N -0.332 122.480 122.820 -0.014 0.000 2.310 458 A HA 0.529 4.849 4.320 0.001 0.000 0.299 458 A C -0.003 177.560 177.584 -0.036 0.000 1.147 458 A CA -0.469 51.556 52.037 -0.021 0.000 0.818 458 A CB 0.406 19.397 19.000 -0.015 0.000 1.096 458 A HN 0.279 nan 8.150 nan 0.000 0.495 459 K N -0.760 119.612 120.400 -0.046 0.000 3.244 459 K HA -0.084 4.237 4.320 0.001 0.000 0.269 459 K C -2.753 173.783 176.600 -0.106 0.000 1.150 459 K CA 0.263 56.510 56.287 -0.067 0.000 0.799 459 K CB -2.627 29.832 32.500 -0.068 0.000 1.286 459 K HN 0.561 nan 8.250 nan 0.000 0.488 460 P HA 0.113 nan 4.420 nan 0.000 0.266 460 P C 1.131 178.335 177.300 -0.160 0.000 1.195 460 P CA 1.528 64.544 63.100 -0.140 0.000 0.768 460 P CB 0.734 32.386 31.700 -0.080 0.000 0.838 461 G N 1.553 110.192 108.800 -0.269 0.000 2.397 461 G HA2 -0.196 3.765 3.960 0.001 0.000 0.211 461 G HA3 -0.196 3.765 3.960 0.001 0.000 0.211 461 G C -0.120 174.623 174.900 -0.262 0.000 1.077 461 G CA -0.452 44.534 45.100 -0.190 0.000 0.649 461 G HN 0.568 nan 8.290 nan 0.000 0.511 462 Q N 0.286 119.922 119.800 -0.273 0.000 2.267 462 Q HA 0.628 4.969 4.340 0.001 0.000 0.255 462 Q C -1.035 174.753 176.000 -0.352 0.000 0.923 462 Q CA -0.227 55.472 55.803 -0.173 0.000 0.925 462 Q CB 0.987 29.659 28.738 -0.110 0.000 1.195 462 Q HN 0.318 nan 8.270 nan 0.000 0.417 463 F N 2.651 122.552 119.950 -0.082 0.000 2.427 463 F HA 0.412 4.939 4.527 0.001 0.000 0.346 463 F C -0.012 175.685 175.800 -0.171 0.000 1.120 463 F CA -0.904 57.020 58.000 -0.127 0.000 1.033 463 F CB 0.968 39.936 39.000 -0.053 0.000 1.126 463 F HN 0.291 nan 8.300 nan 0.000 0.462 464 I N 2.199 122.640 120.570 -0.214 0.000 2.607 464 I HA 0.289 4.460 4.170 0.001 0.000 0.305 464 I C -0.707 175.297 176.117 -0.188 0.000 0.995 464 I CA -0.792 60.327 61.300 -0.302 0.000 1.148 464 I CB 1.642 39.291 38.000 -0.585 0.000 1.323 464 I HN 0.597 nan 8.210 nan 0.000 0.461 465 H N 2.388 121.431 119.070 -0.045 0.000 2.906 465 H HA 0.457 5.013 4.556 0.001 0.000 0.324 465 H C -0.926 174.460 175.328 0.097 0.000 0.973 465 H CA -0.149 55.972 56.048 0.123 0.000 1.321 465 H CB 1.102 30.923 29.762 0.098 0.000 1.535 465 H HN 0.573 nan 8.280 nan 0.000 0.518 466 T N 4.048 118.378 114.554 -0.372 0.000 2.897 466 T HA 0.072 4.423 4.350 0.001 0.000 0.294 466 T C 0.177 174.378 174.700 -0.832 0.000 1.004 466 T CA -0.516 61.227 62.100 -0.596 0.000 1.106 466 T CB 0.227 68.596 68.868 -0.832 0.000 0.949 466 T HN 0.714 nan 8.240 nan 0.000 0.520 467 N N 1.796 120.221 118.700 -0.458 0.000 2.500 467 N HA 0.227 4.968 4.740 0.001 0.000 0.236 467 N C 0.140 175.483 175.510 -0.277 0.000 1.022 467 N CA -0.571 52.370 53.050 -0.181 0.000 0.935 467 N CB 0.396 38.872 38.487 -0.019 0.000 1.147 467 N HN 0.594 nan 8.380 nan 0.000 0.512 468 W N 2.348 123.475 121.300 -0.288 0.000 2.539 468 W HA 0.083 4.743 4.660 0.001 0.000 0.315 468 W C 2.097 178.432 176.519 -0.308 0.000 1.148 468 W CA 0.665 57.794 57.345 -0.360 0.000 1.403 468 W CB -1.012 28.024 29.460 -0.706 0.000 1.168 468 W HN 0.393 nan 8.180 nan 0.000 0.489 469 T N -0.076 114.344 114.554 -0.225 0.000 3.284 469 T HA -0.299 4.051 4.350 0.001 0.000 0.166 469 T C 0.786 175.514 174.700 0.046 0.000 1.697 469 T CA 2.073 64.117 62.100 -0.093 0.000 0.993 469 T CB -1.582 67.278 68.868 -0.012 0.000 0.975 469 T HN 0.371 nan 8.240 nan 0.000 0.495 470 G N -0.262 108.569 108.800 0.051 0.000 2.643 470 G HA2 0.528 4.489 3.960 0.001 0.000 0.305 470 G HA3 0.528 4.489 3.960 0.001 0.000 0.305 470 G C -1.302 173.658 174.900 0.101 0.000 1.387 470 G CA -0.521 44.626 45.100 0.079 0.000 0.982 470 G HN 0.530 nan 8.290 nan 0.000 0.501 471 H N 1.288 120.357 119.070 -0.003 0.000 2.588 471 H HA 0.521 5.078 4.556 0.001 0.000 0.223 471 H C 0.855 176.173 175.328 -0.017 0.000 1.804 471 H CA 0.577 56.608 56.048 -0.028 0.000 1.269 471 H CB -0.397 29.351 29.762 -0.023 0.000 1.670 471 H HN 1.239 nan 8.280 nan 0.000 0.539 472 G N 0.560 109.311 108.800 -0.082 0.000 2.707 472 G HA2 0.396 4.357 3.960 0.001 0.000 0.686 472 G HA3 0.396 4.357 3.960 0.001 0.000 0.686 472 G C -0.085 174.806 174.900 -0.016 0.000 1.315 472 G CA -0.504 44.547 45.100 -0.082 0.000 0.832 472 G HN 1.327 nan 8.290 nan 0.000 0.573 473 G N 0.000 108.792 108.800 -0.013 0.000 5.446 473 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 473 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 473 G CA 0.000 45.104 45.100 0.006 0.000 0.502 473 G HN 0.000 nan 8.290 nan 0.000 0.925