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 1i8q_1_A DATA FIRST_RESID 171 DATA SEQUENCE SEHPQPVTTQ IEKSVNTALN KNYVFNKADY QYTLTNPSLG KIVGGILYPN DATA SEQUENCE ATGSTTVKIS DKSGKIIKEV PLSVTASTED NFTKLLDKWN DVTIGNYVYD DATA SEQUENCE TNDSNMQKLN QKLDETNAKN IEAIKLDSNR TFLWKDLDNL NNSAQLTATY DATA SEQUENCE RRLEDLAKQI TNPHSTIYKN EKAIRTVKES LAWLHQNFYN VNKDIEGSAN DATA SEQUENCE WWDFEIGVPR SITGTLSLMN NYFTDAEIKT YTDPIEHFVP DAEYFRKTLV DATA SEQUENCE NPFKALGGNL VDMGRVKIIE GLLRKDNTII EKTSHSLKNL FTTATKAEGF DATA SEQUENCE YADGSYIDHT NVAYTGAYGN VLIDGLTQLL PIIQETDYKI SNQELDMVYK DATA SEQUENCE WINQSFLPLI VKGELMDMSR GRSISREAAS SHAAAVEVLR GFLRLANMSN DATA SEQUENCE EERNLDLKST IKTIITSNKF YNVFNNLKSY SDIANMNKLL NDSTVATKPL DATA SEQUENCE KSNLSTFNSM DRLAYYNAKK DFGFALSLHS KRTLNYEGMN DENTRGWYTG DATA SEQUENCE DGMFYIYNSD QSHYSNHFWP TVNPYKMAGT TEKDAKREDT TKEFMSKHSK DATA SEQUENCE DAKEKTGQVT GTSDFVGSVK LNDHFALAAM DFTNWDRTLT AQKGWVILND DATA SEQUENCE KIVFLGSNIK NTNGIGNVST TIDQRKDDSK TPYTTYVNGK TIDLKQASSQ DATA SEQUENCE QFTDTKSVFL ESKEPGRNIG YIFFKNSTID IERKEQTGTW NSINRTSKNT DATA SEQUENCE SIVSNPFITI SQKHDNKGDS YGYMMVPNID RTSFDKLANS KEVELLENSS DATA SEQUENCE KQQVIYDKNS QTWAVIKHDN QESLINNQFK MNKAGLYLVQ KVGNDYQNVY DATA SEQUENCE YQPQTMTKTD QLAI 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 171 S HA 0.000 nan 4.470 nan 0.000 0.327 171 S C 0.000 174.609 174.600 0.015 0.000 1.055 171 S CA 0.000 58.209 58.200 0.016 0.000 1.107 171 S CB 0.000 63.221 63.200 0.035 0.000 0.593 172 E N 1.600 121.789 120.200 -0.018 0.000 2.331 172 E HA 0.130 4.484 4.350 0.007 0.000 0.272 172 E C -0.153 176.448 176.600 0.002 0.000 1.036 172 E CA -0.379 56.014 56.400 -0.011 0.000 0.864 172 E CB 0.696 30.361 29.700 -0.059 0.000 1.035 172 E HN 0.620 nan 8.360 nan 0.000 0.408 173 H N 3.724 122.775 119.070 -0.030 0.000 2.819 173 H HA 0.140 4.700 4.556 0.007 0.000 0.303 173 H C -2.144 173.164 175.328 -0.033 0.000 1.058 173 H CA -1.375 54.674 56.048 0.001 0.000 1.471 173 H CB 0.428 30.208 29.762 0.030 0.000 1.480 173 H HN 0.131 nan 8.280 nan 0.000 0.517 174 P HA -0.091 nan 4.420 nan 0.000 0.264 174 P C -0.961 176.368 177.300 0.049 0.000 1.173 174 P CA 0.643 63.604 63.100 -0.231 0.000 0.761 174 P CB 0.490 32.121 31.700 -0.115 0.000 0.794 175 Q N 3.434 123.246 119.800 0.020 0.000 2.433 175 Q HA 0.493 4.838 4.340 0.007 0.000 0.279 175 Q C -2.414 173.737 176.000 0.252 0.000 1.105 175 Q CA -2.220 53.677 55.803 0.158 0.000 0.815 175 Q CB 1.666 30.447 28.738 0.073 0.000 1.403 175 Q HN 0.328 nan 8.270 nan 0.000 0.435 176 P HA 0.005 nan 4.420 nan 0.000 0.272 176 P C -0.738 176.685 177.300 0.204 0.000 1.223 176 P CA -0.118 63.143 63.100 0.267 0.000 0.784 176 P CB 0.634 32.419 31.700 0.142 0.000 0.923 177 V N 2.779 122.832 119.914 0.232 0.000 2.288 177 V HA 0.130 4.255 4.120 0.007 0.000 0.266 177 V C 0.935 177.106 176.094 0.129 0.000 1.048 177 V CA -0.230 62.172 62.300 0.172 0.000 0.842 177 V CB -0.029 31.922 31.823 0.214 0.000 1.064 177 V HN 0.667 nan 8.190 nan 0.000 0.472 178 T N 1.804 116.419 114.554 0.100 0.000 2.907 178 T HA 0.600 4.954 4.350 0.007 0.000 0.298 178 T C 0.164 174.914 174.700 0.083 0.000 1.017 178 T CA -0.367 61.782 62.100 0.083 0.000 1.118 178 T CB 1.352 70.260 68.868 0.066 0.000 0.948 178 T HN 0.729 nan 8.240 nan 0.000 0.531 179 T N 0.325 114.928 114.554 0.081 0.000 2.864 179 T HA 0.678 5.032 4.350 0.007 0.000 0.299 179 T C -1.105 173.646 174.700 0.084 0.000 1.166 179 T CA -1.108 61.042 62.100 0.085 0.000 1.007 179 T CB 2.166 71.089 68.868 0.092 0.000 1.219 179 T HN 0.748 nan 8.240 nan 0.000 0.506 180 Q N 0.830 120.681 119.800 0.085 0.000 2.572 180 Q HA 0.582 4.926 4.340 0.007 0.000 0.284 180 Q C -0.430 175.628 176.000 0.096 0.000 1.091 180 Q CA -1.143 54.708 55.803 0.081 0.000 0.840 180 Q CB 1.461 30.236 28.738 0.061 0.000 1.433 180 Q HN 0.793 nan 8.270 nan 0.000 0.471 181 I N 1.923 122.537 120.570 0.075 0.000 2.598 181 I HA -0.050 4.125 4.170 0.007 0.000 0.284 181 I C 0.165 176.338 176.117 0.094 0.000 1.140 181 I CA 0.073 61.419 61.300 0.077 0.000 1.420 181 I CB 0.355 38.343 38.000 -0.020 0.000 1.387 181 I HN 0.429 nan 8.210 nan 0.000 0.553 182 E N 5.524 125.816 120.200 0.153 0.000 2.508 182 E HA -0.109 4.245 4.350 0.007 0.000 0.266 182 E C 0.402 177.055 176.600 0.089 0.000 1.010 182 E CA 0.555 57.039 56.400 0.141 0.000 0.955 182 E CB 0.422 30.246 29.700 0.206 0.000 0.946 182 E HN 0.369 nan 8.360 nan 0.000 0.454 183 K N 0.381 120.817 120.400 0.061 0.000 2.352 183 K HA 0.132 4.456 4.320 0.007 0.000 0.194 183 K C -0.108 176.509 176.600 0.029 0.000 1.038 183 K CA 0.231 56.540 56.287 0.036 0.000 1.023 183 K CB 0.593 33.109 32.500 0.027 0.000 0.840 183 K HN 0.361 nan 8.250 nan 0.000 0.519 184 S N -0.702 115.016 115.700 0.030 0.000 2.558 184 S HA 0.390 4.864 4.470 0.007 0.000 0.277 184 S C -1.838 172.743 174.600 -0.030 0.000 1.143 184 S CA -0.911 57.291 58.200 0.003 0.000 0.865 184 S CB 1.425 64.620 63.200 -0.008 0.000 1.102 184 S HN -0.185 nan 8.310 nan 0.000 0.454 185 V N 3.418 123.277 119.914 -0.092 0.000 2.540 185 V HA 0.623 4.747 4.120 0.007 0.000 0.302 185 V C -0.935 174.991 176.094 -0.281 0.000 1.035 185 V CA -0.733 61.399 62.300 -0.279 0.000 0.873 185 V CB 1.861 33.431 31.823 -0.421 0.000 0.992 185 V HN 0.932 nan 8.190 nan 0.000 0.428 186 N N 1.753 120.259 118.700 -0.322 0.000 2.549 186 N HA 0.533 5.277 4.740 0.007 0.000 0.281 186 N C -0.946 174.427 175.510 -0.228 0.000 1.084 186 N CA -0.267 52.656 53.050 -0.211 0.000 0.862 186 N CB 2.070 40.490 38.487 -0.111 0.000 1.333 186 N HN 0.647 nan 8.380 nan 0.000 0.523 187 T N 0.556 114.978 114.554 -0.221 0.000 2.887 187 T HA 0.774 5.128 4.350 0.007 0.000 0.288 187 T C -0.594 174.064 174.700 -0.070 0.000 1.021 187 T CA -0.504 61.515 62.100 -0.134 0.000 1.000 187 T CB 1.001 69.774 68.868 -0.158 0.000 1.034 187 T HN 0.423 nan 8.240 nan 0.000 0.467 188 A N 3.142 125.942 122.820 -0.032 0.000 2.351 188 A HA 0.474 4.798 4.320 0.007 0.000 0.257 188 A C 1.406 178.979 177.584 -0.019 0.000 1.087 188 A CA -0.497 51.527 52.037 -0.020 0.000 0.798 188 A CB 0.114 19.111 19.000 -0.006 0.000 1.033 188 A HN 0.975 nan 8.150 nan 0.000 0.488 189 L N 1.473 122.690 121.223 -0.010 0.000 2.129 189 L HA -0.192 4.152 4.340 0.007 0.000 0.212 189 L C 1.885 178.756 176.870 0.002 0.000 1.087 189 L CA 2.613 57.452 54.840 -0.002 0.000 0.757 189 L CB -0.455 41.608 42.059 0.006 0.000 0.896 189 L HN 0.882 nan 8.230 nan 0.000 0.434 190 N N -1.363 117.337 118.700 0.001 0.000 2.336 190 N HA -0.036 4.708 4.740 0.007 0.000 0.189 190 N C 0.072 175.567 175.510 -0.025 0.000 1.113 190 N CA 0.097 53.147 53.050 0.000 0.000 0.858 190 N CB 0.095 38.589 38.487 0.013 0.000 0.970 190 N HN 0.273 nan 8.380 nan 0.000 0.471 191 K N 1.074 121.453 120.400 -0.035 0.000 2.206 191 K HA 0.294 4.618 4.320 0.007 0.000 0.264 191 K C -0.882 175.649 176.600 -0.115 0.000 0.967 191 K CA -0.611 55.637 56.287 -0.065 0.000 0.844 191 K CB 1.029 33.518 32.500 -0.019 0.000 1.099 191 K HN 0.017 nan 8.250 nan 0.000 0.441 192 N N 2.974 121.535 118.700 -0.231 0.000 2.406 192 N HA 0.004 4.749 4.740 0.007 0.000 0.251 192 N C -1.073 174.277 175.510 -0.267 0.000 1.069 192 N CA -0.219 52.604 53.050 -0.378 0.000 0.947 192 N CB 0.351 38.432 38.487 -0.676 0.000 1.111 192 N HN 0.459 nan 8.380 nan 0.000 0.497 193 Y N 2.423 122.487 120.300 -0.392 0.000 2.436 193 Y HA 0.128 4.682 4.550 0.007 0.000 0.336 193 Y C -0.134 175.444 175.900 -0.537 0.000 1.049 193 Y CA -0.384 57.452 58.100 -0.440 0.000 1.294 193 Y CB 0.574 38.714 38.460 -0.533 0.000 1.179 193 Y HN 0.199 nan 8.280 nan 0.000 0.520 194 V N 8.501 127.841 119.914 -0.956 0.000 2.364 194 V HA 0.130 4.254 4.120 0.007 0.000 0.272 194 V C -0.213 175.299 176.094 -0.970 0.000 1.036 194 V CA -0.775 61.096 62.300 -0.715 0.000 0.880 194 V CB -0.322 31.223 31.823 -0.462 0.000 0.991 194 V HN 0.542 nan 8.190 nan 0.000 0.460 195 F N 3.907 123.546 119.950 -0.518 0.000 2.518 195 F HA 0.173 4.704 4.527 0.007 0.000 0.359 195 F C 1.760 177.449 175.800 -0.184 0.000 1.118 195 F CA 0.114 57.912 58.000 -0.337 0.000 1.287 195 F CB 0.286 38.940 39.000 -0.576 0.000 1.132 195 F HN 0.455 nan 8.300 nan 0.000 0.587 196 N N 1.441 120.218 118.700 0.129 0.000 2.021 196 N HA -0.176 4.569 4.740 0.007 0.000 0.198 196 N C 0.309 175.922 175.510 0.173 0.000 1.041 196 N CA 1.457 54.577 53.050 0.116 0.000 0.862 196 N CB -0.168 38.412 38.487 0.155 0.000 1.048 196 N HN 0.340 nan 8.380 nan 0.000 0.427 197 K N 1.463 122.039 120.400 0.295 0.000 2.248 197 K HA 0.425 4.749 4.320 0.007 0.000 0.281 197 K C -0.185 176.683 176.600 0.447 0.000 1.054 197 K CA -0.277 56.233 56.287 0.372 0.000 0.903 197 K CB 1.289 34.085 32.500 0.493 0.000 1.077 197 K HN 0.119 nan 8.250 nan 0.000 0.474 198 A N 2.201 125.167 122.820 0.243 0.000 2.259 198 A HA 0.321 4.646 4.320 0.007 0.000 0.278 198 A C 0.117 177.733 177.584 0.054 0.000 1.107 198 A CA -0.073 52.068 52.037 0.172 0.000 0.828 198 A CB 0.157 19.194 19.000 0.061 0.000 1.111 198 A HN 0.887 nan 8.150 nan 0.000 0.498 199 D N -3.013 117.395 120.400 0.013 0.000 2.978 199 D HA -0.169 4.475 4.640 0.007 0.000 0.205 199 D C -0.541 175.608 176.300 -0.251 0.000 1.093 199 D CA 1.830 55.750 54.000 -0.135 0.000 1.006 199 D CB -1.728 38.932 40.800 -0.234 0.000 1.116 199 D HN 0.489 nan 8.370 nan 0.000 0.419 200 Y N -0.090 120.190 120.300 -0.033 0.000 2.519 200 Y HA 0.520 5.074 4.550 0.007 0.000 0.324 200 Y C 1.063 176.765 175.900 -0.331 0.000 1.214 200 Y CA -0.490 57.452 58.100 -0.264 0.000 1.260 200 Y CB 0.709 38.848 38.460 -0.536 0.000 1.311 200 Y HN -0.313 nan 8.280 nan 0.000 0.505 201 Q N 1.164 120.833 119.800 -0.217 0.000 2.325 201 Q HA 0.320 4.664 4.340 0.007 0.000 0.262 201 Q C -1.859 173.907 176.000 -0.389 0.000 0.968 201 Q CA -0.632 55.065 55.803 -0.177 0.000 0.877 201 Q CB 0.687 29.379 28.738 -0.077 0.000 1.253 201 Q HN 0.498 nan 8.270 nan 0.000 0.448 202 Y N 0.658 120.890 120.300 -0.112 0.000 2.341 202 Y HA 0.554 5.108 4.550 0.007 0.000 0.337 202 Y C 0.335 176.181 175.900 -0.090 0.000 1.014 202 Y CA -0.508 57.460 58.100 -0.220 0.000 1.111 202 Y CB 1.993 40.137 38.460 -0.527 0.000 1.194 202 Y HN 0.285 nan 8.280 nan 0.000 0.462 203 T N 4.770 119.356 114.554 0.053 0.000 2.879 203 T HA 0.440 4.794 4.350 0.007 0.000 0.290 203 T C -0.595 174.147 174.700 0.069 0.000 0.993 203 T CA -0.721 61.414 62.100 0.059 0.000 0.975 203 T CB 0.737 69.617 68.868 0.019 0.000 0.981 203 T HN 0.401 nan 8.240 nan 0.000 0.439 204 L N 2.701 123.976 121.223 0.087 0.000 2.331 204 L HA 0.259 4.603 4.340 0.007 0.000 0.278 204 L C 1.693 178.594 176.870 0.053 0.000 1.106 204 L CA -0.248 54.641 54.840 0.082 0.000 0.824 204 L CB 1.129 43.244 42.059 0.094 0.000 1.142 204 L HN 0.767 nan 8.230 nan 0.000 0.443 205 T N 1.041 115.621 114.554 0.042 0.000 2.821 205 T HA -0.093 4.261 4.350 0.007 0.000 0.267 205 T C 0.942 175.659 174.700 0.028 0.000 1.046 205 T CA 1.113 63.230 62.100 0.028 0.000 1.139 205 T CB -0.133 68.748 68.868 0.021 0.000 0.871 205 T HN 0.371 nan 8.240 nan 0.000 0.454 206 N N 1.304 120.024 118.700 0.033 0.000 2.699 206 N HA 0.224 4.968 4.740 0.007 0.000 0.232 206 N C -2.285 173.249 175.510 0.040 0.000 1.027 206 N CA -2.064 51.004 53.050 0.030 0.000 0.920 206 N CB 1.783 40.285 38.487 0.026 0.000 1.148 206 N HN 0.019 nan 8.380 nan 0.000 0.509 207 P HA -0.133 nan 4.420 nan 0.000 0.218 207 P C 1.328 178.656 177.300 0.047 0.000 1.148 207 P CA 1.127 64.255 63.100 0.047 0.000 0.822 207 P CB 0.289 32.013 31.700 0.039 0.000 0.784 208 S N -0.257 115.466 115.700 0.038 0.000 2.359 208 S HA -0.166 4.308 4.470 0.007 0.000 0.224 208 S C 1.825 176.448 174.600 0.039 0.000 1.035 208 S CA 1.118 59.339 58.200 0.035 0.000 1.018 208 S CB -1.735 61.481 63.200 0.027 0.000 0.876 208 S HN -0.049 nan 8.310 nan 0.000 0.448 209 L N 2.021 123.267 121.223 0.038 0.000 2.369 209 L HA 0.139 4.483 4.340 0.007 0.000 0.220 209 L C 1.337 178.237 176.870 0.050 0.000 1.119 209 L CA 1.393 56.255 54.840 0.037 0.000 0.780 209 L CB -1.504 40.574 42.059 0.032 0.000 0.906 209 L HN 0.766 nan 8.230 nan 0.000 0.442 210 G N -2.000 106.841 108.800 0.067 0.000 2.325 210 G HA2 0.304 4.268 3.960 0.007 0.000 0.297 210 G HA3 0.304 4.268 3.960 0.007 0.000 0.297 210 G C -1.520 173.449 174.900 0.114 0.000 1.448 210 G CA -0.822 44.333 45.100 0.093 0.000 0.838 210 G HN -0.078 nan 8.290 nan 0.000 0.579 211 K N 0.518 121.009 120.400 0.151 0.000 2.293 211 K HA 0.687 5.011 4.320 0.007 0.000 0.267 211 K C -0.477 176.269 176.600 0.244 0.000 1.010 211 K CA -0.588 55.791 56.287 0.155 0.000 0.875 211 K CB 0.760 33.320 32.500 0.099 0.000 1.106 211 K HN 0.365 nan 8.250 nan 0.000 0.450 212 I N 5.197 125.897 120.570 0.216 0.000 2.312 212 I HA 0.183 4.357 4.170 0.007 0.000 0.291 212 I C -0.786 175.474 176.117 0.238 0.000 1.031 212 I CA -0.851 60.609 61.300 0.267 0.000 1.293 212 I CB 1.453 39.611 38.000 0.264 0.000 1.403 212 I HN 0.327 nan 8.210 nan 0.000 0.484 213 V N 7.341 127.430 119.914 0.291 0.000 2.313 213 V HA 0.539 4.663 4.120 0.007 0.000 0.278 213 V C 0.880 177.102 176.094 0.213 0.000 1.017 213 V CA 0.268 62.698 62.300 0.218 0.000 0.823 213 V CB 0.308 32.260 31.823 0.216 0.000 1.010 213 V HN 1.121 nan 8.190 nan 0.000 0.443 214 G N 5.346 114.251 108.800 0.175 0.000 2.601 214 G HA2 -0.244 3.720 3.960 0.007 0.000 0.306 214 G HA3 -0.244 3.720 3.960 0.007 0.000 0.306 214 G C 0.933 175.990 174.900 0.262 0.000 1.172 214 G CA 0.420 45.626 45.100 0.177 0.000 0.966 214 G HN 1.459 nan 8.290 nan 0.000 0.542 215 G N -0.124 108.812 108.800 0.227 0.000 3.575 215 G HA2 0.563 4.528 3.960 0.007 0.000 0.273 215 G HA3 0.563 4.528 3.960 0.007 0.000 0.273 215 G C 0.145 175.184 174.900 0.232 0.000 1.053 215 G CA 0.287 45.527 45.100 0.233 0.000 0.803 215 G HN 0.700 nan 8.290 nan 0.000 0.528 216 I N 1.126 121.802 120.570 0.177 0.000 2.436 216 I HA 0.337 4.511 4.170 0.007 0.000 0.289 216 I C -1.048 175.072 176.117 0.005 0.000 1.010 216 I CA -1.070 60.217 61.300 -0.022 0.000 1.098 216 I CB 2.531 40.463 38.000 -0.113 0.000 1.266 216 I HN -0.093 nan 8.210 nan 0.000 0.434 217 L N 7.648 128.784 121.223 -0.145 0.000 2.276 217 L HA 0.402 4.746 4.340 0.007 0.000 0.286 217 L C -1.538 175.203 176.870 -0.215 0.000 1.061 217 L CA 0.137 54.961 54.840 -0.027 0.000 0.807 217 L CB 0.407 42.445 42.059 -0.035 0.000 1.177 217 L HN 0.329 nan 8.230 nan 0.000 0.429 218 Y N 6.239 126.566 120.300 0.045 0.000 2.587 218 Y HA 0.473 5.027 4.550 0.007 0.000 0.328 218 Y C -2.032 173.876 175.900 0.013 0.000 0.980 218 Y CA -2.326 55.782 58.100 0.013 0.000 1.272 218 Y CB 0.587 39.056 38.460 0.014 0.000 1.094 218 Y HN 0.608 nan 8.280 nan 0.000 0.503 219 P HA -0.069 nan 4.420 nan 0.000 0.267 219 P C 0.293 177.636 177.300 0.072 0.000 1.201 219 P CA 0.421 63.556 63.100 0.058 0.000 0.775 219 P CB 0.950 32.660 31.700 0.017 0.000 0.854 220 N N 0.002 118.735 118.700 0.054 0.000 2.430 220 N HA 0.211 4.955 4.740 0.007 0.000 0.235 220 N C -0.537 174.992 175.510 0.033 0.000 1.108 220 N CA 0.236 53.314 53.050 0.047 0.000 0.834 220 N CB 0.855 39.371 38.487 0.048 0.000 1.430 220 N HN 0.444 nan 8.380 nan 0.000 0.463 221 A N 0.560 123.397 122.820 0.027 0.000 2.574 221 A HA 0.493 4.817 4.320 0.007 0.000 0.297 221 A C -0.142 177.449 177.584 0.013 0.000 1.062 221 A CA -0.512 51.537 52.037 0.019 0.000 0.686 221 A CB 0.567 19.578 19.000 0.019 0.000 1.285 221 A HN 0.124 nan 8.150 nan 0.000 0.403 222 T N -0.254 114.304 114.554 0.008 0.000 2.734 222 T HA 0.618 4.972 4.350 0.007 0.000 0.314 222 T C 0.725 175.426 174.700 0.002 0.000 1.057 222 T CA 0.449 62.550 62.100 0.001 0.000 1.047 222 T CB 0.957 69.825 68.868 0.001 0.000 0.991 222 T HN 2.591 nan 8.240 nan 0.000 0.540 223 G N -0.252 108.546 108.800 -0.004 0.000 2.339 223 G HA2 0.400 4.364 3.960 0.007 0.000 0.381 223 G HA3 0.400 4.364 3.960 0.007 0.000 0.381 223 G C -1.125 173.771 174.900 -0.007 0.000 1.400 223 G CA -0.697 44.402 45.100 -0.002 0.000 1.002 223 G HN 0.951 nan 8.290 nan 0.000 0.633 224 S N -0.415 115.283 115.700 -0.004 0.000 2.502 224 S HA 0.897 5.371 4.470 0.007 0.000 0.304 224 S C 0.090 174.691 174.600 0.002 0.000 1.097 224 S CA 0.064 58.261 58.200 -0.006 0.000 1.045 224 S CB 2.049 65.244 63.200 -0.008 0.000 1.019 224 S HN 1.135 nan 8.310 nan 0.000 0.481 225 T N 1.062 115.619 114.554 0.005 0.000 2.587 225 T HA 0.790 5.144 4.350 0.007 0.000 0.282 225 T C -1.315 173.394 174.700 0.016 0.000 1.018 225 T CA -0.262 61.846 62.100 0.013 0.000 1.120 225 T CB 1.093 69.975 68.868 0.023 0.000 1.538 225 T HN 0.779 nan 8.240 nan 0.000 0.480 226 T N -0.355 114.214 114.554 0.025 0.000 2.903 226 T HA 0.719 5.074 4.350 0.007 0.000 0.299 226 T C -1.140 173.587 174.700 0.046 0.000 1.093 226 T CA -0.695 61.422 62.100 0.028 0.000 1.002 226 T CB 1.257 70.135 68.868 0.017 0.000 1.127 226 T HN 0.561 nan 8.240 nan 0.000 0.488 227 V N 0.939 120.887 119.914 0.057 0.000 2.417 227 V HA 0.588 4.712 4.120 0.007 0.000 0.291 227 V C -0.141 175.965 176.094 0.020 0.000 1.024 227 V CA -1.011 61.332 62.300 0.071 0.000 0.861 227 V CB 1.207 33.114 31.823 0.141 0.000 0.985 227 V HN 0.905 nan 8.190 nan 0.000 0.436 228 K N 4.230 124.625 120.400 -0.007 0.000 2.253 228 K HA 0.655 4.979 4.320 0.007 0.000 0.277 228 K C -1.071 175.448 176.600 -0.135 0.000 1.053 228 K CA -0.313 55.940 56.287 -0.056 0.000 0.892 228 K CB 1.277 33.752 32.500 -0.042 0.000 1.102 228 K HN 0.609 nan 8.250 nan 0.000 0.469 229 I N 2.652 123.095 120.570 -0.212 0.000 2.336 229 I HA 0.215 4.389 4.170 0.007 0.000 0.292 229 I C 0.088 176.015 176.117 -0.317 0.000 0.991 229 I CA 0.017 61.055 61.300 -0.436 0.000 1.227 229 I CB 1.639 39.308 38.000 -0.552 0.000 1.366 229 I HN 0.610 nan 8.210 nan 0.000 0.466 230 S N 2.740 118.279 115.700 -0.269 0.000 2.732 230 S HA 0.797 5.271 4.470 0.007 0.000 0.293 230 S C -1.180 173.417 174.600 -0.004 0.000 1.159 230 S CA -1.028 57.102 58.200 -0.118 0.000 0.847 230 S CB 1.883 65.031 63.200 -0.087 0.000 1.169 230 S HN 0.559 nan 8.310 nan 0.000 0.501 231 D N -0.602 119.814 120.400 0.026 0.000 2.592 231 D HA 0.352 4.996 4.640 0.007 0.000 0.259 231 D C 0.989 177.281 176.300 -0.014 0.000 1.144 231 D CA -1.032 52.990 54.000 0.037 0.000 1.080 231 D CB 0.514 41.345 40.800 0.051 0.000 1.225 231 D HN 0.586 nan 8.370 nan 0.000 0.619 232 K N -0.232 120.149 120.400 -0.030 0.000 2.211 232 K HA -0.140 4.185 4.320 0.007 0.000 0.204 232 K C 0.794 177.381 176.600 -0.022 0.000 1.047 232 K CA 1.281 57.550 56.287 -0.031 0.000 0.935 232 K CB -0.373 32.104 32.500 -0.039 0.000 0.728 232 K HN 0.296 nan 8.250 nan 0.000 0.452 233 S N -0.106 115.584 115.700 -0.017 0.000 2.603 233 S HA 0.131 4.605 4.470 0.007 0.000 0.220 233 S C 1.197 175.788 174.600 -0.014 0.000 0.967 233 S CA 0.565 58.756 58.200 -0.014 0.000 0.920 233 S CB 0.197 63.391 63.200 -0.011 0.000 0.773 233 S HN 0.696 nan 8.310 nan 0.000 0.529 234 G N 2.056 110.846 108.800 -0.017 0.000 2.205 234 G HA2 -0.333 3.632 3.960 0.007 0.000 0.261 234 G HA3 -0.333 3.632 3.960 0.007 0.000 0.261 234 G C 0.157 175.044 174.900 -0.023 0.000 0.980 234 G CA 0.416 45.504 45.100 -0.020 0.000 0.632 234 G HN 0.549 nan 8.290 nan 0.000 0.533 235 K N 1.090 121.479 120.400 -0.019 0.000 2.451 235 K HA 0.296 4.620 4.320 0.007 0.000 0.280 235 K C 0.493 177.072 176.600 -0.034 0.000 1.020 235 K CA -0.585 55.690 56.287 -0.021 0.000 1.008 235 K CB 0.041 32.534 32.500 -0.012 0.000 0.917 235 K HN 0.061 nan 8.250 nan 0.000 0.478 236 I N 7.129 127.674 120.570 -0.041 0.000 2.363 236 I HA -0.008 4.166 4.170 0.007 0.000 0.292 236 I C 1.232 177.308 176.117 -0.068 0.000 1.075 236 I CA 0.069 61.333 61.300 -0.061 0.000 1.333 236 I CB 0.064 38.033 38.000 -0.051 0.000 1.415 236 I HN 0.712 nan 8.210 nan 0.000 0.502 237 I N 5.036 125.544 120.570 -0.103 0.000 2.406 237 I HA -0.041 4.133 4.170 0.007 0.000 0.249 237 I C 1.020 177.063 176.117 -0.122 0.000 1.122 237 I CA 1.036 62.265 61.300 -0.119 0.000 1.431 237 I CB 0.025 37.902 38.000 -0.204 0.000 1.087 237 I HN 0.561 nan 8.210 nan 0.000 0.424 238 K N 0.080 120.398 120.400 -0.136 0.000 2.622 238 K HA 0.266 4.590 4.320 0.007 0.000 0.273 238 K C -1.415 175.135 176.600 -0.084 0.000 0.957 238 K CA -0.576 55.651 56.287 -0.101 0.000 0.861 238 K CB 1.612 34.046 32.500 -0.109 0.000 1.405 238 K HN -0.136 nan 8.250 nan 0.000 0.406 239 E N 2.635 122.807 120.200 -0.047 0.000 2.218 239 E HA 0.416 4.770 4.350 0.007 0.000 0.263 239 E C -1.271 175.324 176.600 -0.009 0.000 0.879 239 E CA -0.851 55.533 56.400 -0.027 0.000 0.762 239 E CB 1.761 31.449 29.700 -0.021 0.000 1.166 239 E HN 0.415 nan 8.360 nan 0.000 0.415 240 V N 1.236 121.157 119.914 0.011 0.000 2.960 240 V HA 0.723 4.847 4.120 0.007 0.000 0.315 240 V C -2.756 173.353 176.094 0.025 0.000 1.087 240 V CA -2.836 59.477 62.300 0.022 0.000 0.982 240 V CB 1.630 33.478 31.823 0.042 0.000 1.039 240 V HN 0.514 nan 8.190 nan 0.000 0.437 241 P HA 0.423 nan 4.420 nan 0.000 0.279 241 P C -0.766 176.530 177.300 -0.005 0.000 1.318 241 P CA 0.069 63.172 63.100 0.004 0.000 0.819 241 P CB 0.624 32.322 31.700 -0.003 0.000 0.927 242 L N 3.017 124.241 121.223 0.001 0.000 2.295 242 L HA 0.668 5.012 4.340 0.007 0.000 0.285 242 L C -0.228 176.619 176.870 -0.039 0.000 1.035 242 L CA -0.256 54.568 54.840 -0.025 0.000 0.806 242 L CB 1.338 43.412 42.059 0.024 0.000 1.214 242 L HN 0.304 nan 8.230 nan 0.000 0.426 243 S N 4.411 120.065 115.700 -0.076 0.000 2.614 243 S HA 0.583 5.057 4.470 0.007 0.000 0.288 243 S C -1.039 173.514 174.600 -0.077 0.000 1.137 243 S CA -0.689 57.477 58.200 -0.058 0.000 0.992 243 S CB 1.613 64.786 63.200 -0.046 0.000 1.026 243 S HN 0.402 nan 8.310 nan 0.000 0.486 244 V N 4.994 124.877 119.914 -0.051 0.000 2.368 244 V HA 0.455 4.579 4.120 0.007 0.000 0.266 244 V C 1.186 177.260 176.094 -0.033 0.000 1.045 244 V CA -0.342 61.929 62.300 -0.048 0.000 0.899 244 V CB 0.151 31.958 31.823 -0.026 0.000 1.006 244 V HN 1.011 nan 8.190 nan 0.000 0.470 245 T N 2.720 117.252 114.554 -0.036 0.000 2.814 245 T HA 0.738 5.092 4.350 0.007 0.000 0.284 245 T C 0.507 175.199 174.700 -0.013 0.000 0.998 245 T CA -0.080 62.006 62.100 -0.023 0.000 0.935 245 T CB 1.306 70.159 68.868 -0.026 0.000 1.167 245 T HN 1.014 nan 8.240 nan 0.000 0.545 246 A N 1.069 123.885 122.820 -0.006 0.000 2.466 246 A HA 0.462 4.787 4.320 0.007 0.000 0.238 246 A C 0.834 178.421 177.584 0.004 0.000 1.074 246 A CA -0.166 51.872 52.037 0.001 0.000 0.774 246 A CB -0.505 18.498 19.000 0.005 0.000 1.015 246 A HN 1.088 nan 8.150 nan 0.000 0.498 247 S N -0.088 115.618 115.700 0.010 0.000 2.568 247 S HA 0.239 4.713 4.470 0.007 0.000 0.282 247 S C 1.261 175.874 174.600 0.022 0.000 1.338 247 S CA 0.315 58.525 58.200 0.015 0.000 1.045 247 S CB 0.218 63.430 63.200 0.020 0.000 0.873 247 S HN 1.305 nan 8.310 nan 0.000 0.516 248 T N 0.935 115.505 114.554 0.025 0.000 3.145 248 T HA 0.283 4.637 4.350 0.007 0.000 0.255 248 T C 0.360 175.094 174.700 0.057 0.000 1.039 248 T CA -0.424 61.697 62.100 0.035 0.000 0.928 248 T CB -0.105 68.778 68.868 0.024 0.000 1.029 248 T HN 0.631 nan 8.240 nan 0.000 0.554 249 E N 2.922 123.154 120.200 0.052 0.000 2.452 249 E HA 0.207 4.562 4.350 0.007 0.000 0.261 249 E C -0.332 176.315 176.600 0.079 0.000 0.987 249 E CA 0.841 57.278 56.400 0.063 0.000 0.926 249 E CB 0.524 30.252 29.700 0.046 0.000 0.934 249 E HN 0.787 nan 8.360 nan 0.000 0.452 250 D N 1.854 122.316 120.400 0.102 0.000 2.970 250 D HA 0.060 4.704 4.640 0.007 0.000 0.344 250 D C 0.360 176.698 176.300 0.063 0.000 1.365 250 D CA -0.578 53.487 54.000 0.108 0.000 0.910 250 D CB -0.296 40.629 40.800 0.209 0.000 1.445 250 D HN 0.141 nan 8.370 nan 0.000 0.532 251 N N -0.798 117.881 118.700 -0.035 0.000 2.309 251 N HA -0.000 4.744 4.740 0.007 0.000 0.182 251 N C 1.441 176.848 175.510 -0.171 0.000 1.018 251 N CA 0.765 53.723 53.050 -0.154 0.000 0.876 251 N CB -0.292 38.024 38.487 -0.285 0.000 0.972 251 N HN 0.285 nan 8.380 nan 0.000 0.434 252 F N 1.411 121.373 119.950 0.021 0.000 2.060 252 F HA -0.155 4.376 4.527 0.007 0.000 0.295 252 F C 2.852 178.668 175.800 0.027 0.000 1.120 252 F CA 1.569 59.581 58.000 0.021 0.000 1.205 252 F CB -1.316 37.694 39.000 0.017 0.000 0.986 252 F HN 0.082 nan 8.300 nan 0.000 0.470 253 T N -1.325 113.375 114.554 0.244 0.000 2.684 253 T HA -0.210 4.144 4.350 0.007 0.000 0.267 253 T C 1.994 176.758 174.700 0.106 0.000 1.036 253 T CA 1.247 63.437 62.100 0.150 0.000 1.148 253 T CB -0.414 68.525 68.868 0.118 0.000 0.863 253 T HN 0.036 nan 8.240 nan 0.000 0.436 254 K N 1.239 121.685 120.400 0.076 0.000 2.074 254 K HA 0.031 4.355 4.320 0.007 0.000 0.209 254 K C 2.377 179.008 176.600 0.052 0.000 1.048 254 K CA 1.126 57.440 56.287 0.045 0.000 0.926 254 K CB -0.850 31.660 32.500 0.015 0.000 0.713 254 K HN 0.431 nan 8.250 nan 0.000 0.444 255 L N 0.559 121.816 121.223 0.056 0.000 2.093 255 L HA -0.132 4.212 4.340 0.007 0.000 0.208 255 L C 2.445 179.396 176.870 0.136 0.000 1.085 255 L CA 0.685 55.569 54.840 0.073 0.000 0.755 255 L CB -0.307 41.776 42.059 0.039 0.000 0.904 255 L HN 0.135 nan 8.230 nan 0.000 0.435 256 L N -0.591 120.720 121.223 0.146 0.000 2.046 256 L HA -0.240 4.104 4.340 0.007 0.000 0.208 256 L C 2.260 179.260 176.870 0.217 0.000 1.077 256 L CA 1.142 56.102 54.840 0.201 0.000 0.747 256 L CB -0.624 41.535 42.059 0.166 0.000 0.896 256 L HN 0.280 nan 8.230 nan 0.000 0.432 257 D N 0.142 120.619 120.400 0.128 0.000 2.123 257 D HA -0.238 4.406 4.640 0.007 0.000 0.196 257 D C 2.076 178.392 176.300 0.025 0.000 0.992 257 D CA 1.301 55.340 54.000 0.064 0.000 0.833 257 D CB -0.090 40.726 40.800 0.027 0.000 0.954 257 D HN 0.254 nan 8.370 nan 0.000 0.455 258 K N -0.063 120.373 120.400 0.061 0.000 2.097 258 K HA -0.132 4.193 4.320 0.007 0.000 0.205 258 K C 2.171 178.846 176.600 0.126 0.000 1.050 258 K CA 0.719 57.033 56.287 0.046 0.000 0.938 258 K CB -0.113 32.433 32.500 0.077 0.000 0.718 258 K HN 0.280 nan 8.250 nan 0.000 0.442 259 W N 1.775 123.073 121.300 -0.005 0.000 2.355 259 W HA -0.221 4.443 4.660 0.007 0.000 0.309 259 W C 1.242 177.769 176.519 0.013 0.000 1.206 259 W CA 1.184 58.538 57.345 0.015 0.000 1.284 259 W CB -0.187 29.292 29.460 0.031 0.000 1.145 259 W HN 0.167 nan 8.180 nan 0.000 0.502 260 N N 1.042 119.744 118.700 0.003 0.000 2.120 260 N HA -0.178 4.566 4.740 0.007 0.000 0.188 260 N C 1.038 176.469 175.510 -0.132 0.000 1.024 260 N CA 1.932 54.918 53.050 -0.106 0.000 0.852 260 N CB -0.957 37.542 38.487 0.020 0.000 1.003 260 N HN 0.186 nan 8.380 nan 0.000 0.424 261 D N 0.296 120.605 120.400 -0.152 0.000 2.144 261 D HA -0.057 4.588 4.640 0.007 0.000 0.200 261 D C 2.039 178.330 176.300 -0.015 0.000 0.978 261 D CA 0.527 54.411 54.000 -0.193 0.000 0.833 261 D CB -0.160 40.269 40.800 -0.619 0.000 0.961 261 D HN 0.067 nan 8.370 nan 0.000 0.470 262 V N 1.145 121.003 119.914 -0.093 0.000 2.453 262 V HA -0.165 3.959 4.120 0.007 0.000 0.247 262 V C 2.606 178.579 176.094 -0.201 0.000 1.048 262 V CA 2.032 64.279 62.300 -0.089 0.000 1.049 262 V CB -0.848 30.931 31.823 -0.073 0.000 0.672 262 V HN 0.327 nan 8.190 nan 0.000 0.457 263 T N -1.243 113.072 114.554 -0.398 0.000 2.814 263 T HA 0.046 4.400 4.350 0.007 0.000 0.254 263 T C 1.764 176.316 174.700 -0.247 0.000 1.037 263 T CA 1.088 62.926 62.100 -0.436 0.000 1.143 263 T CB -0.128 68.285 68.868 -0.759 0.000 0.866 263 T HN 0.233 nan 8.240 nan 0.000 0.431 264 I N 1.050 121.512 120.570 -0.181 0.000 2.810 264 I HA 0.299 4.473 4.170 0.007 0.000 0.262 264 I C 2.099 178.242 176.117 0.044 0.000 1.131 264 I CA 0.968 62.205 61.300 -0.105 0.000 1.453 264 I CB -1.779 36.188 38.000 -0.055 0.000 1.161 264 I HN 0.571 nan 8.210 nan 0.000 0.444 265 G N 2.678 111.576 108.800 0.163 0.000 2.295 265 G HA2 -0.335 3.629 3.960 0.007 0.000 0.287 265 G HA3 -0.335 3.629 3.960 0.007 0.000 0.287 265 G C 0.695 175.894 174.900 0.497 0.000 1.055 265 G CA 0.801 46.141 45.100 0.399 0.000 0.922 265 G HN 0.467 nan 8.290 nan 0.000 0.503 266 N N -0.772 118.192 118.700 0.440 0.000 2.166 266 N HA -0.149 4.595 4.740 0.007 0.000 0.186 266 N C 2.017 177.703 175.510 0.294 0.000 1.019 266 N CA 1.673 54.948 53.050 0.376 0.000 0.856 266 N CB -0.244 38.385 38.487 0.236 0.000 0.993 266 N HN 0.842 nan 8.380 nan 0.000 0.426 267 Y N 0.552 120.908 120.300 0.094 0.000 2.569 267 Y HA 0.009 4.563 4.550 0.007 0.000 0.293 267 Y C 1.173 177.101 175.900 0.046 0.000 1.144 267 Y CA 0.158 58.296 58.100 0.064 0.000 1.321 267 Y CB -0.716 37.780 38.460 0.060 0.000 0.982 267 Y HN -0.085 nan 8.280 nan 0.000 0.558 268 V N -2.624 117.042 119.914 -0.413 0.000 2.988 268 V HA 0.292 4.416 4.120 0.007 0.000 0.356 268 V C -0.273 175.665 176.094 -0.260 0.000 1.380 268 V CA -0.986 61.019 62.300 -0.490 0.000 1.184 268 V CB -1.722 29.715 31.823 -0.643 0.000 1.204 268 V HN 0.230 nan 8.190 nan 0.000 0.530 269 Y N 1.832 121.920 120.300 -0.354 0.000 2.496 269 Y HA 0.490 5.045 4.550 0.008 0.000 0.334 269 Y C 0.133 175.706 175.900 -0.545 0.000 1.080 269 Y CA 0.028 57.784 58.100 -0.574 0.000 1.355 269 Y CB 0.813 38.808 38.460 -0.775 0.000 1.193 269 Y HN 0.456 nan 8.280 nan 0.000 0.523 270 D N 4.296 124.099 120.400 -0.996 0.000 2.392 270 D HA 0.155 4.799 4.640 0.007 0.000 0.228 270 D C 0.631 176.408 176.300 -0.871 0.000 1.074 270 D CA -0.286 53.293 54.000 -0.701 0.000 0.838 270 D CB 1.360 41.892 40.800 -0.447 0.000 1.067 270 D HN 0.736 nan 8.370 nan 0.000 0.511 271 T N 1.884 116.121 114.554 -0.529 0.000 2.929 271 T HA -0.115 4.240 4.350 0.007 0.000 0.271 271 T C 1.298 175.876 174.700 -0.203 0.000 1.085 271 T CA 0.602 62.562 62.100 -0.234 0.000 1.125 271 T CB 0.012 68.922 68.868 0.069 0.000 0.874 271 T HN 0.357 nan 8.240 nan 0.000 0.494 272 N N 1.150 119.716 118.700 -0.223 0.000 2.463 272 N HA -0.004 4.741 4.740 0.007 0.000 0.181 272 N C 0.213 175.599 175.510 -0.207 0.000 1.078 272 N CA 0.376 53.324 53.050 -0.170 0.000 0.902 272 N CB -0.012 38.390 38.487 -0.141 0.000 0.970 272 N HN 0.475 nan 8.380 nan 0.000 0.451 273 D N 0.768 120.990 120.400 -0.296 0.000 2.336 273 D HA 0.016 4.660 4.640 0.007 0.000 0.249 273 D C 1.075 177.217 176.300 -0.264 0.000 1.213 273 D CA -0.007 53.811 54.000 -0.304 0.000 0.870 273 D CB 1.104 41.682 40.800 -0.368 0.000 1.076 273 D HN 0.061 nan 8.370 nan 0.000 0.483 274 S N 3.557 119.128 115.700 -0.216 0.000 2.419 274 S HA -0.181 4.293 4.470 0.007 0.000 0.233 274 S C 1.291 175.801 174.600 -0.150 0.000 1.016 274 S CA 1.194 59.298 58.200 -0.161 0.000 0.974 274 S CB -0.111 63.000 63.200 -0.149 0.000 0.786 274 S HN 0.541 nan 8.310 nan 0.000 0.492 275 N N 0.667 119.243 118.700 -0.208 0.000 2.135 275 N HA 0.102 4.846 4.740 0.007 0.000 0.186 275 N C 1.966 177.447 175.510 -0.048 0.000 1.027 275 N CA 1.684 54.643 53.050 -0.151 0.000 0.849 275 N CB -0.233 38.101 38.487 -0.256 0.000 1.002 275 N HN 0.394 nan 8.380 nan 0.000 0.425 276 M N 0.056 119.596 119.600 -0.100 0.000 2.296 276 M HA -0.114 4.370 4.480 0.007 0.000 0.265 276 M C 1.796 178.152 176.300 0.093 0.000 1.064 276 M CA 1.176 56.463 55.300 -0.022 0.000 1.109 276 M CB -0.075 32.227 32.600 -0.496 0.000 1.396 276 M HN 0.139 nan 8.290 nan 0.000 0.430 277 Q N 0.723 120.519 119.800 -0.008 0.000 2.049 277 Q HA -0.080 4.264 4.340 0.007 0.000 0.198 277 Q C 1.873 177.930 176.000 0.095 0.000 0.971 277 Q CA 1.593 57.445 55.803 0.081 0.000 0.833 277 Q CB -0.004 28.738 28.738 0.006 0.000 0.896 277 Q HN 0.288 nan 8.270 nan 0.000 0.434 278 K N -0.346 120.083 120.400 0.047 0.000 2.063 278 K HA -0.124 4.200 4.320 0.007 0.000 0.208 278 K C 1.876 178.520 176.600 0.073 0.000 1.048 278 K CA 1.085 57.395 56.287 0.038 0.000 0.928 278 K CB -0.155 32.348 32.500 0.005 0.000 0.713 278 K HN 0.159 nan 8.250 nan 0.000 0.442 279 L N 0.498 121.796 121.223 0.125 0.000 1.976 279 L HA -0.247 4.097 4.340 0.007 0.000 0.209 279 L C 2.262 179.236 176.870 0.173 0.000 1.071 279 L CA 1.500 56.427 54.840 0.145 0.000 0.746 279 L CB -0.703 41.493 42.059 0.228 0.000 0.890 279 L HN 0.286 nan 8.230 nan 0.000 0.432 280 N N -0.109 118.770 118.700 0.298 0.000 2.061 280 N HA -0.258 4.486 4.740 0.007 0.000 0.193 280 N C 1.886 177.464 175.510 0.113 0.000 1.030 280 N CA 1.529 54.721 53.050 0.235 0.000 0.856 280 N CB -0.083 38.536 38.487 0.221 0.000 1.023 280 N HN 0.241 nan 8.380 nan 0.000 0.424 281 Q N -0.112 119.746 119.800 0.096 0.000 2.084 281 Q HA -0.126 4.219 4.340 0.007 0.000 0.202 281 Q C 1.839 177.862 176.000 0.038 0.000 0.978 281 Q CA 1.355 57.191 55.803 0.055 0.000 0.844 281 Q CB 0.011 28.775 28.738 0.043 0.000 0.898 281 Q HN 0.301 nan 8.270 nan 0.000 0.426 282 K N -0.006 120.416 120.400 0.036 0.000 2.026 282 K HA -0.183 4.142 4.320 0.007 0.000 0.208 282 K C 2.016 178.622 176.600 0.010 0.000 1.048 282 K CA 1.083 57.379 56.287 0.016 0.000 0.929 282 K CB -0.192 32.313 32.500 0.009 0.000 0.713 282 K HN 0.092 nan 8.250 nan 0.000 0.439 283 L N 1.584 122.819 121.223 0.022 0.000 2.042 283 L HA -0.210 4.134 4.340 0.007 0.000 0.210 283 L C 1.416 178.294 176.870 0.014 0.000 1.076 283 L CA 1.938 56.785 54.840 0.013 0.000 0.749 283 L CB -0.451 41.625 42.059 0.028 0.000 0.893 283 L HN 0.178 nan 8.230 nan 0.000 0.432 284 D N -0.632 119.783 120.400 0.026 0.000 2.219 284 D HA -0.143 4.501 4.640 0.007 0.000 0.205 284 D C 2.041 178.351 176.300 0.016 0.000 0.970 284 D CA 1.004 55.018 54.000 0.024 0.000 0.851 284 D CB 0.136 40.953 40.800 0.027 0.000 0.943 284 D HN 0.556 nan 8.370 nan 0.000 0.488 285 E N -0.311 119.896 120.200 0.010 0.000 2.158 285 E HA -0.050 4.304 4.350 0.007 0.000 0.191 285 E C 1.798 178.395 176.600 -0.005 0.000 0.982 285 E CA 0.737 57.140 56.400 0.004 0.000 0.823 285 E CB 0.054 29.755 29.700 0.002 0.000 0.766 285 E HN 0.112 nan 8.360 nan 0.000 0.468 286 T N 1.345 115.890 114.554 -0.014 0.000 2.770 286 T HA -0.062 4.292 4.350 0.007 0.000 0.258 286 T C 1.618 176.297 174.700 -0.034 0.000 1.039 286 T CA 0.944 63.021 62.100 -0.037 0.000 1.143 286 T CB -0.166 68.670 68.868 -0.054 0.000 0.866 286 T HN 0.047 nan 8.240 nan 0.000 0.428 287 N N 1.797 120.489 118.700 -0.015 0.000 2.149 287 N HA -0.036 4.708 4.740 0.007 0.000 0.188 287 N C 1.966 177.495 175.510 0.031 0.000 1.019 287 N CA 1.239 54.294 53.050 0.008 0.000 0.857 287 N CB -0.620 37.882 38.487 0.024 0.000 0.997 287 N HN 0.416 nan 8.380 nan 0.000 0.426 288 A N 1.420 124.254 122.820 0.023 0.000 1.865 288 A HA -0.196 4.128 4.320 0.007 0.000 0.217 288 A C 2.129 179.738 177.584 0.041 0.000 1.191 288 A CA 1.733 53.788 52.037 0.030 0.000 0.623 288 A CB -0.490 18.522 19.000 0.020 0.000 0.826 288 A HN 0.291 nan 8.150 nan 0.000 0.444 289 K N -0.332 120.084 120.400 0.028 0.000 2.026 289 K HA -0.149 4.176 4.320 0.007 0.000 0.208 289 K C 1.917 178.573 176.600 0.093 0.000 1.048 289 K CA 1.492 57.803 56.287 0.040 0.000 0.929 289 K CB -0.302 32.202 32.500 0.007 0.000 0.713 289 K HN 0.418 nan 8.250 nan 0.000 0.439 290 N N 1.311 120.056 118.700 0.076 0.000 2.043 290 N HA -0.157 4.587 4.740 0.007 0.000 0.193 290 N C 1.855 177.616 175.510 0.418 0.000 1.037 290 N CA 1.223 54.409 53.050 0.227 0.000 0.851 290 N CB -0.409 38.078 38.487 -0.000 0.000 1.027 290 N HN 0.122 nan 8.380 nan 0.000 0.422 291 I N 1.226 121.932 120.570 0.228 0.000 2.113 291 I HA -0.326 3.848 4.170 0.007 0.000 0.242 291 I C 2.395 178.571 176.117 0.100 0.000 1.064 291 I CA 1.864 63.257 61.300 0.155 0.000 1.320 291 I CB -0.570 37.479 38.000 0.082 0.000 1.028 291 I HN 0.323 nan 8.210 nan 0.000 0.406 292 E N 1.952 122.205 120.200 0.087 0.000 2.072 292 E HA -0.120 4.234 4.350 0.007 0.000 0.190 292 E C 1.984 178.618 176.600 0.056 0.000 0.982 292 E CA 1.365 57.794 56.400 0.048 0.000 0.803 292 E CB -0.552 29.171 29.700 0.039 0.000 0.755 292 E HN 0.353 nan 8.360 nan 0.000 0.453 293 A N 1.095 123.993 122.820 0.130 0.000 2.216 293 A HA 0.082 4.406 4.320 0.007 0.000 0.214 293 A C 1.197 178.833 177.584 0.087 0.000 1.160 293 A CA 0.080 52.209 52.037 0.154 0.000 0.725 293 A CB -0.797 18.351 19.000 0.247 0.000 0.784 293 A HN 0.454 nan 8.150 nan 0.000 0.472 294 I N 0.017 120.563 120.570 -0.040 0.000 2.754 294 I HA 0.083 4.257 4.170 0.007 0.000 0.285 294 I C 0.115 176.003 176.117 -0.382 0.000 1.166 294 I CA -0.303 60.712 61.300 -0.476 0.000 1.417 294 I CB 0.639 38.302 38.000 -0.562 0.000 1.382 294 I HN -0.024 nan 8.210 nan 0.000 0.588 295 K N 6.324 126.420 120.400 -0.507 0.000 2.258 295 K HA 0.298 4.622 4.320 0.007 0.000 0.284 295 K C 0.134 176.449 176.600 -0.475 0.000 1.051 295 K CA 0.105 56.128 56.287 -0.440 0.000 0.923 295 K CB 0.764 32.920 32.500 -0.574 0.000 1.046 295 K HN 0.524 nan 8.250 nan 0.000 0.474 296 L N 1.448 122.464 121.223 -0.344 0.000 2.766 296 L HA 0.211 4.555 4.340 0.007 0.000 0.242 296 L C 0.079 176.792 176.870 -0.263 0.000 1.136 296 L CA -0.384 54.269 54.840 -0.312 0.000 0.933 296 L CB 0.148 42.074 42.059 -0.221 0.000 1.241 296 L HN 0.598 nan 8.230 nan 0.000 0.522 297 D N 0.716 120.968 120.400 -0.246 0.000 2.520 297 D HA -0.118 4.526 4.640 0.007 0.000 0.243 297 D C 1.549 177.749 176.300 -0.167 0.000 1.160 297 D CA 0.600 54.497 54.000 -0.172 0.000 0.877 297 D CB 1.136 41.850 40.800 -0.144 0.000 1.150 297 D HN 0.141 nan 8.370 nan 0.000 0.494 298 S N 3.725 119.363 115.700 -0.102 0.000 2.428 298 S HA -0.269 4.205 4.470 0.007 0.000 0.240 298 S C 1.123 175.726 174.600 0.004 0.000 1.036 298 S CA 1.190 59.356 58.200 -0.055 0.000 1.009 298 S CB -0.198 62.993 63.200 -0.014 0.000 0.803 298 S HN 0.635 nan 8.310 nan 0.000 0.486 299 N N 1.656 120.365 118.700 0.015 0.000 2.389 299 N HA 0.147 4.891 4.740 0.007 0.000 0.260 299 N C -0.066 175.528 175.510 0.139 0.000 1.191 299 N CA -0.226 52.902 53.050 0.130 0.000 0.885 299 N CB 0.556 39.125 38.487 0.137 0.000 1.162 299 N HN 0.678 nan 8.380 nan 0.000 0.512 300 R N -0.144 120.323 120.500 -0.055 0.000 2.863 300 R HA 0.090 4.434 4.340 0.007 0.000 0.273 300 R C 0.797 177.105 176.300 0.013 0.000 1.057 300 R CA 0.336 56.306 56.100 -0.216 0.000 1.191 300 R CB -0.190 29.769 30.300 -0.568 0.000 1.104 300 R HN -0.075 nan 8.270 nan 0.000 0.519 301 T N -3.267 111.261 114.554 -0.042 0.000 3.043 301 T HA 0.252 4.607 4.350 0.007 0.000 0.272 301 T C 0.046 175.113 174.700 0.610 0.000 0.990 301 T CA -0.477 61.801 62.100 0.296 0.000 0.897 301 T CB -0.152 68.840 68.868 0.207 0.000 1.111 301 T HN 0.629 nan 8.240 nan 0.000 0.529 302 F N -1.266 118.818 119.950 0.222 0.000 2.831 302 F HA 0.672 5.203 4.527 0.007 0.000 0.318 302 F C -0.294 175.366 175.800 -0.233 0.000 1.174 302 F CA -1.521 56.546 58.000 0.112 0.000 0.918 302 F CB 0.789 39.823 39.000 0.057 0.000 1.364 302 F HN -0.213 nan 8.300 nan 0.000 0.475 303 L N -0.659 120.538 121.223 -0.042 0.000 2.467 303 L HA 0.254 4.598 4.340 0.007 0.000 0.213 303 L C -0.518 176.052 176.870 -0.500 0.000 1.053 303 L CA 0.277 54.781 54.840 -0.560 0.000 0.847 303 L CB 0.491 42.064 42.059 -0.810 0.000 1.075 303 L HN 0.442 nan 8.230 nan 0.000 0.479 304 W N 0.650 122.121 121.300 0.285 0.000 2.781 304 W HA 0.283 4.947 4.660 0.007 0.000 0.333 304 W C 0.767 177.413 176.519 0.211 0.000 1.047 304 W CA -1.012 56.464 57.345 0.219 0.000 1.236 304 W CB 1.500 31.001 29.460 0.067 0.000 1.394 304 W HN -0.110 nan 8.180 nan 0.000 0.466 305 K N 1.143 121.788 120.400 0.409 0.000 2.173 305 K HA -0.224 4.100 4.320 0.007 0.000 0.207 305 K C 1.053 177.594 176.600 -0.098 0.000 1.046 305 K CA 2.065 58.379 56.287 0.045 0.000 0.929 305 K CB 0.004 32.591 32.500 0.146 0.000 0.720 305 K HN 0.476 nan 8.250 nan 0.000 0.453 306 D N -0.512 119.908 120.400 0.033 0.000 2.336 306 D HA -0.070 4.574 4.640 0.007 0.000 0.229 306 D C 0.684 176.965 176.300 -0.032 0.000 1.061 306 D CA 0.216 54.204 54.000 -0.019 0.000 0.875 306 D CB -0.119 40.676 40.800 -0.008 0.000 0.904 306 D HN 0.168 nan 8.370 nan 0.000 0.525 307 L N 1.284 122.495 121.223 -0.020 0.000 2.980 307 L HA 0.143 4.487 4.340 0.007 0.000 0.314 307 L C 0.741 177.545 176.870 -0.111 0.000 1.303 307 L CA -0.310 54.527 54.840 -0.005 0.000 0.785 307 L CB 0.948 43.086 42.059 0.131 0.000 1.190 307 L HN -0.095 nan 8.230 nan 0.000 0.567 308 D N -1.057 119.112 120.400 -0.384 0.000 2.312 308 D HA -0.120 4.525 4.640 0.007 0.000 0.211 308 D C 0.546 176.680 176.300 -0.277 0.000 0.964 308 D CA 0.438 53.952 54.000 -0.809 0.000 0.877 308 D CB 0.303 40.488 40.800 -1.026 0.000 0.924 308 D HN 0.213 nan 8.370 nan 0.000 0.515 309 N N 0.918 119.540 118.700 -0.131 0.000 2.936 309 N HA 0.130 4.874 4.740 0.007 0.000 0.243 309 N C 0.597 176.078 175.510 -0.048 0.000 1.149 309 N CA -0.344 52.686 53.050 -0.033 0.000 0.914 309 N CB 0.462 38.940 38.487 -0.017 0.000 1.179 309 N HN 0.064 nan 8.380 nan 0.000 0.502 310 L N 1.412 122.562 121.223 -0.121 0.000 2.675 310 L HA 0.042 4.387 4.340 0.007 0.000 0.238 310 L C 0.716 177.432 176.870 -0.257 0.000 1.155 310 L CA 0.452 55.054 54.840 -0.396 0.000 0.881 310 L CB -0.258 41.130 42.059 -1.117 0.000 1.008 310 L HN 0.422 nan 8.230 nan 0.000 0.443 311 N N -0.454 118.263 118.700 0.029 0.000 2.353 311 N HA -0.045 4.699 4.740 0.007 0.000 0.185 311 N C 0.558 176.150 175.510 0.137 0.000 1.098 311 N CA -0.124 53.033 53.050 0.179 0.000 0.872 311 N CB 0.226 38.840 38.487 0.212 0.000 0.970 311 N HN 0.142 nan 8.380 nan 0.000 0.467 312 N N 0.620 119.362 118.700 0.070 0.000 2.462 312 N HA 0.033 4.777 4.740 0.007 0.000 0.242 312 N C 0.727 176.279 175.510 0.069 0.000 1.010 312 N CA -0.120 52.972 53.050 0.069 0.000 0.939 312 N CB 0.903 39.409 38.487 0.032 0.000 1.127 312 N HN 0.051 nan 8.380 nan 0.000 0.509 313 S N 2.940 118.721 115.700 0.135 0.000 2.420 313 S HA -0.217 4.257 4.470 0.007 0.000 0.237 313 S C 1.746 176.374 174.600 0.046 0.000 1.023 313 S CA 1.074 59.350 58.200 0.127 0.000 0.991 313 S CB -0.309 63.053 63.200 0.269 0.000 0.792 313 S HN 0.585 nan 8.310 nan 0.000 0.488 314 A N 1.243 124.093 122.820 0.050 0.000 1.968 314 A HA 0.023 4.348 4.320 0.007 0.000 0.217 314 A C 2.290 179.882 177.584 0.013 0.000 1.169 314 A CA 1.050 53.109 52.037 0.036 0.000 0.638 314 A CB -0.527 18.487 19.000 0.023 0.000 0.812 314 A HN 0.621 nan 8.150 nan 0.000 0.446 315 Q N -1.312 118.488 119.800 0.000 0.000 2.311 315 Q HA 0.026 4.370 4.340 0.007 0.000 0.203 315 Q C 1.813 177.803 176.000 -0.017 0.000 0.954 315 Q CA 0.777 56.573 55.803 -0.012 0.000 0.885 315 Q CB -0.043 28.679 28.738 -0.026 0.000 0.963 315 Q HN 0.584 nan 8.270 nan 0.000 0.471 316 L N -0.344 120.858 121.223 -0.035 0.000 2.209 316 L HA -0.020 4.324 4.340 0.007 0.000 0.207 316 L C 1.962 178.878 176.870 0.076 0.000 1.094 316 L CA 1.533 56.350 54.840 -0.038 0.000 0.790 316 L CB -0.129 41.875 42.059 -0.091 0.000 0.932 316 L HN -0.011 nan 8.230 nan 0.000 0.447 317 T N -0.432 114.134 114.554 0.020 0.000 2.896 317 T HA 0.000 4.354 4.350 0.007 0.000 0.263 317 T C 1.888 176.620 174.700 0.052 0.000 1.050 317 T CA 1.008 63.117 62.100 0.015 0.000 1.140 317 T CB -0.241 68.621 68.868 -0.010 0.000 0.877 317 T HN 0.456 nan 8.240 nan 0.000 0.457 318 A N 1.326 124.163 122.820 0.029 0.000 1.902 318 A HA -0.106 4.218 4.320 0.007 0.000 0.217 318 A C 2.517 180.098 177.584 -0.004 0.000 1.181 318 A CA 1.955 53.990 52.037 -0.004 0.000 0.623 318 A CB -1.174 17.810 19.000 -0.027 0.000 0.818 318 A HN 0.443 nan 8.150 nan 0.000 0.443 319 T N -1.425 113.162 114.554 0.056 0.000 2.708 319 T HA -0.138 4.216 4.350 0.007 0.000 0.266 319 T C 1.747 176.531 174.700 0.140 0.000 1.037 319 T CA 1.710 63.897 62.100 0.144 0.000 1.146 319 T CB -0.435 68.528 68.868 0.158 0.000 0.865 319 T HN 0.512 nan 8.240 nan 0.000 0.435 320 Y N 1.409 121.732 120.300 0.037 0.000 2.224 320 Y HA -0.050 4.504 4.550 0.007 0.000 0.289 320 Y C 2.663 178.560 175.900 -0.005 0.000 1.146 320 Y CA 1.017 59.119 58.100 0.004 0.000 1.182 320 Y CB -0.175 38.223 38.460 -0.103 0.000 0.983 320 Y HN 0.055 nan 8.280 nan 0.000 0.524 321 R N -0.397 120.178 120.500 0.125 0.000 2.092 321 R HA -0.124 4.220 4.340 0.007 0.000 0.231 321 R C 2.318 178.616 176.300 -0.004 0.000 1.119 321 R CA 1.165 57.289 56.100 0.040 0.000 0.970 321 R CB -0.160 30.140 30.300 -0.000 0.000 0.864 321 R HN 0.292 nan 8.270 nan 0.000 0.440 322 R N 0.433 120.888 120.500 -0.075 0.000 2.105 322 R HA -0.118 4.226 4.340 0.007 0.000 0.239 322 R C 2.276 178.571 176.300 -0.009 0.000 1.135 322 R CA 1.187 57.177 56.100 -0.183 0.000 0.967 322 R CB -0.365 29.566 30.300 -0.615 0.000 0.861 322 R HN 0.253 nan 8.270 nan 0.000 0.442 323 L N 0.298 121.591 121.223 0.117 0.000 2.093 323 L HA -0.154 4.190 4.340 0.007 0.000 0.208 323 L C 2.550 179.497 176.870 0.128 0.000 1.085 323 L CA 1.254 56.197 54.840 0.172 0.000 0.755 323 L CB -0.475 41.699 42.059 0.191 0.000 0.904 323 L HN 0.278 nan 8.230 nan 0.000 0.435 324 E N 0.473 120.737 120.200 0.107 0.000 2.058 324 E HA -0.269 4.085 4.350 0.007 0.000 0.194 324 E C 1.660 178.299 176.600 0.065 0.000 0.997 324 E CA 1.589 58.042 56.400 0.090 0.000 0.801 324 E CB 0.114 29.853 29.700 0.065 0.000 0.746 324 E HN 0.373 nan 8.360 nan 0.000 0.450 325 D N 0.241 120.661 120.400 0.032 0.000 2.182 325 D HA -0.161 4.483 4.640 0.007 0.000 0.201 325 D C 1.972 178.295 176.300 0.037 0.000 0.986 325 D CA 0.753 54.761 54.000 0.013 0.000 0.847 325 D CB -0.088 40.697 40.800 -0.025 0.000 0.942 325 D HN 0.257 nan 8.370 nan 0.000 0.467 326 L N 0.194 121.453 121.223 0.058 0.000 2.044 326 L HA -0.087 4.257 4.340 0.007 0.000 0.205 326 L C 2.523 179.446 176.870 0.089 0.000 1.075 326 L CA 1.013 55.896 54.840 0.072 0.000 0.747 326 L CB -0.474 41.637 42.059 0.086 0.000 0.903 326 L HN -0.024 nan 8.230 nan 0.000 0.435 327 A N 0.366 123.251 122.820 0.109 0.000 1.948 327 A HA -0.254 4.070 4.320 0.007 0.000 0.220 327 A C 2.305 179.971 177.584 0.137 0.000 1.177 327 A CA 1.887 54.010 52.037 0.143 0.000 0.636 327 A CB -0.391 18.711 19.000 0.170 0.000 0.815 327 A HN 0.340 nan 8.150 nan 0.000 0.449 328 K N -0.866 119.594 120.400 0.100 0.000 1.991 328 K HA -0.170 4.154 4.320 0.007 0.000 0.212 328 K C 2.335 179.000 176.600 0.108 0.000 1.049 328 K CA 1.591 57.929 56.287 0.084 0.000 0.932 328 K CB -0.207 32.313 32.500 0.034 0.000 0.717 328 K HN 0.397 nan 8.250 nan 0.000 0.441 329 Q N 0.597 120.455 119.800 0.096 0.000 2.119 329 Q HA -0.044 4.300 4.340 0.007 0.000 0.201 329 Q C 2.169 178.262 176.000 0.155 0.000 0.972 329 Q CA 1.126 56.991 55.803 0.104 0.000 0.847 329 Q CB -0.193 28.591 28.738 0.076 0.000 0.903 329 Q HN 0.387 nan 8.270 nan 0.000 0.433 330 I N 1.074 121.736 120.570 0.153 0.000 2.530 330 I HA -0.233 3.941 4.170 0.007 0.000 0.257 330 I C 1.730 178.052 176.117 0.342 0.000 1.179 330 I CA 1.673 63.081 61.300 0.180 0.000 1.440 330 I CB -0.112 37.939 38.000 0.085 0.000 1.087 330 I HN 0.230 nan 8.210 nan 0.000 0.440 331 T N -3.542 111.199 114.554 0.312 0.000 3.092 331 T HA 0.124 4.478 4.350 0.007 0.000 0.258 331 T C 0.565 175.383 174.700 0.197 0.000 1.031 331 T CA -0.409 61.904 62.100 0.355 0.000 0.925 331 T CB -0.349 68.685 68.868 0.277 0.000 1.036 331 T HN 0.037 nan 8.240 nan 0.000 0.544 332 N N 2.727 121.488 118.700 0.102 0.000 2.462 332 N HA 0.328 5.072 4.740 0.007 0.000 0.242 332 N C -2.197 173.036 175.510 -0.462 0.000 1.010 332 N CA -2.595 50.400 53.050 -0.092 0.000 0.939 332 N CB 1.747 40.221 38.487 -0.022 0.000 1.127 332 N HN -0.035 nan 8.380 nan 0.000 0.509 333 P HA -0.071 nan 4.420 nan 0.000 0.226 333 P C -0.274 176.616 177.300 -0.684 0.000 1.146 333 P CA 1.274 63.587 63.100 -1.312 0.000 0.773 333 P CB 0.114 31.348 31.700 -0.777 0.000 0.772 334 H N -2.395 116.367 119.070 -0.513 0.000 2.528 334 H HA 0.300 4.861 4.556 0.008 0.000 0.282 334 H C 0.556 175.677 175.328 -0.344 0.000 1.097 334 H CA -0.206 55.582 56.048 -0.434 0.000 1.121 334 H CB 0.036 29.370 29.762 -0.713 0.000 1.590 334 H HN -0.014 nan 8.280 nan 0.000 0.553 335 S N -0.179 115.434 115.700 -0.145 0.000 2.651 335 S HA 0.148 4.623 4.470 0.007 0.000 0.291 335 S C 1.616 176.234 174.600 0.030 0.000 1.141 335 S CA -0.119 58.056 58.200 -0.041 0.000 1.027 335 S CB 1.173 64.378 63.200 0.008 0.000 1.043 335 S HN 0.377 nan 8.310 nan 0.000 0.530 336 T N 0.857 115.432 114.554 0.035 0.000 3.035 336 T HA 0.007 4.361 4.350 0.007 0.000 0.268 336 T C 1.450 176.187 174.700 0.061 0.000 1.109 336 T CA 1.193 63.319 62.100 0.043 0.000 1.119 336 T CB -0.813 68.072 68.868 0.029 0.000 0.900 336 T HN 0.769 nan 8.240 nan 0.000 0.503 337 I N -2.651 117.965 120.570 0.078 0.000 3.941 337 I HA 0.421 4.596 4.170 0.007 0.000 0.335 337 I C 0.217 176.402 176.117 0.113 0.000 1.402 337 I CA -1.270 60.072 61.300 0.070 0.000 1.112 337 I CB -0.481 37.548 38.000 0.049 0.000 1.043 337 I HN -0.086 nan 8.210 nan 0.000 0.395 338 Y N 3.978 124.282 120.300 0.007 0.000 2.804 338 Y HA 0.001 4.555 4.550 0.008 0.000 0.338 338 Y C 1.174 177.101 175.900 0.044 0.000 1.252 338 Y CA 0.122 58.238 58.100 0.027 0.000 1.576 338 Y CB 0.052 38.514 38.460 0.003 0.000 1.223 338 Y HN 0.370 nan 8.280 nan 0.000 0.536 339 K N 2.373 122.638 120.400 -0.226 0.000 3.349 339 K HA -0.393 3.932 4.320 0.007 0.000 0.310 339 K C -0.187 176.340 176.600 -0.122 0.000 1.267 339 K CA 1.193 57.345 56.287 -0.224 0.000 0.920 339 K CB -1.291 30.901 32.500 -0.512 0.000 1.240 339 K HN 0.855 nan 8.250 nan 0.000 0.453 340 N N 1.272 119.918 118.700 -0.090 0.000 2.427 340 N HA -0.029 4.715 4.740 0.007 0.000 0.269 340 N C 0.963 176.417 175.510 -0.093 0.000 1.235 340 N CA 0.295 53.308 53.050 -0.062 0.000 0.934 340 N CB 0.745 39.217 38.487 -0.025 0.000 1.121 340 N HN 0.258 nan 8.380 nan 0.000 0.480 341 E N 3.186 123.345 120.200 -0.069 0.000 2.097 341 E HA -0.331 4.023 4.350 0.007 0.000 0.196 341 E C 1.370 177.917 176.600 -0.088 0.000 1.000 341 E CA 1.146 57.495 56.400 -0.085 0.000 0.804 341 E CB 0.132 29.817 29.700 -0.025 0.000 0.740 341 E HN 0.469 nan 8.360 nan 0.000 0.454 342 K N 0.479 120.845 120.400 -0.057 0.000 1.991 342 K HA -0.167 4.157 4.320 0.007 0.000 0.212 342 K C 2.032 178.596 176.600 -0.059 0.000 1.049 342 K CA 1.494 57.751 56.287 -0.050 0.000 0.932 342 K CB -0.698 31.784 32.500 -0.031 0.000 0.717 342 K HN 0.225 nan 8.250 nan 0.000 0.441 343 A N 1.382 124.171 122.820 -0.051 0.000 1.892 343 A HA -0.189 4.135 4.320 0.007 0.000 0.218 343 A C 2.444 179.980 177.584 -0.081 0.000 1.188 343 A CA 1.947 53.960 52.037 -0.039 0.000 0.631 343 A CB -0.726 18.262 19.000 -0.021 0.000 0.822 343 A HN 0.363 nan 8.150 nan 0.000 0.447 344 I N -0.800 119.673 120.570 -0.162 0.000 2.127 344 I HA -0.319 3.856 4.170 0.007 0.000 0.241 344 I C 2.793 178.779 176.117 -0.217 0.000 1.075 344 I CA 1.717 62.853 61.300 -0.275 0.000 1.334 344 I CB -0.349 37.358 38.000 -0.488 0.000 1.040 344 I HN 0.307 nan 8.210 nan 0.000 0.405 345 R N -0.105 120.293 120.500 -0.171 0.000 2.120 345 R HA -0.114 4.230 4.340 0.007 0.000 0.234 345 R C 2.259 178.506 176.300 -0.089 0.000 1.123 345 R CA 1.782 57.804 56.100 -0.131 0.000 0.975 345 R CB -0.711 29.531 30.300 -0.097 0.000 0.866 345 R HN 0.383 nan 8.270 nan 0.000 0.446 346 T N 0.859 115.369 114.554 -0.073 0.000 2.788 346 T HA -0.085 4.270 4.350 0.007 0.000 0.268 346 T C 2.018 176.704 174.700 -0.023 0.000 1.044 346 T CA 1.222 63.287 62.100 -0.057 0.000 1.139 346 T CB -0.082 68.767 68.868 -0.030 0.000 0.867 346 T HN 0.006 nan 8.240 nan 0.000 0.454 347 V N 1.326 121.241 119.914 0.002 0.000 2.323 347 V HA -0.108 4.016 4.120 0.007 0.000 0.244 347 V C 2.501 178.662 176.094 0.111 0.000 1.041 347 V CA 1.401 63.747 62.300 0.077 0.000 1.025 347 V CB -0.406 31.481 31.823 0.107 0.000 0.656 347 V HN 0.423 nan 8.190 nan 0.000 0.451 348 K N -0.059 120.352 120.400 0.018 0.000 2.057 348 K HA -0.229 4.095 4.320 0.007 0.000 0.207 348 K C 2.178 178.838 176.600 0.100 0.000 1.049 348 K CA 1.819 58.133 56.287 0.045 0.000 0.931 348 K CB -0.196 32.191 32.500 -0.189 0.000 0.714 348 K HN 0.523 nan 8.250 nan 0.000 0.440 349 E N 0.391 120.609 120.200 0.031 0.000 2.072 349 E HA -0.112 4.242 4.350 0.007 0.000 0.191 349 E C 2.076 178.715 176.600 0.064 0.000 0.985 349 E CA 1.270 57.694 56.400 0.039 0.000 0.801 349 E CB 0.128 29.811 29.700 -0.029 0.000 0.750 349 E HN 0.153 nan 8.360 nan 0.000 0.452 350 S N 0.717 116.426 115.700 0.016 0.000 2.383 350 S HA -0.076 4.398 4.470 0.007 0.000 0.227 350 S C 1.932 176.564 174.600 0.053 0.000 1.026 350 S CA 0.572 58.784 58.200 0.019 0.000 0.981 350 S CB -0.078 63.090 63.200 -0.054 0.000 0.818 350 S HN 0.204 nan 8.310 nan 0.000 0.472 351 L N 1.113 122.341 121.223 0.008 0.000 2.027 351 L HA -0.117 4.227 4.340 0.007 0.000 0.206 351 L C 2.877 179.598 176.870 -0.248 0.000 1.074 351 L CA 1.429 56.175 54.840 -0.157 0.000 0.745 351 L CB -0.950 40.955 42.059 -0.256 0.000 0.898 351 L HN 0.356 nan 8.230 nan 0.000 0.433 352 A N -0.809 121.965 122.820 -0.075 0.000 1.940 352 A HA -0.288 4.036 4.320 0.007 0.000 0.219 352 A C 2.008 179.746 177.584 0.257 0.000 1.176 352 A CA 1.762 53.909 52.037 0.184 0.000 0.631 352 A CB -0.977 18.207 19.000 0.305 0.000 0.814 352 A HN 0.637 nan 8.150 nan 0.000 0.446 353 W N 0.219 121.544 121.300 0.040 0.000 2.409 353 W HA 0.009 4.673 4.660 0.007 0.000 0.299 353 W C 1.718 178.282 176.519 0.074 0.000 1.203 353 W CA 1.411 58.778 57.345 0.037 0.000 1.298 353 W CB -0.156 29.296 29.460 -0.013 0.000 1.127 353 W HN 0.221 nan 8.180 nan 0.000 0.528 354 L N -0.139 121.212 121.223 0.212 0.000 2.201 354 L HA -0.200 4.144 4.340 0.007 0.000 0.212 354 L C 2.494 179.474 176.870 0.182 0.000 1.105 354 L CA 1.620 56.526 54.840 0.110 0.000 0.775 354 L CB -0.957 41.013 42.059 -0.148 0.000 0.913 354 L HN 0.120 nan 8.230 nan 0.000 0.440 355 H N 0.061 119.187 119.070 0.094 0.000 2.284 355 H HA -0.211 4.350 4.556 0.007 0.000 0.304 355 H C 2.286 177.658 175.328 0.074 0.000 1.069 355 H CA 2.076 58.231 56.048 0.178 0.000 1.327 355 H CB -0.052 29.846 29.762 0.227 0.000 1.387 355 H HN 0.222 nan 8.280 nan 0.000 0.498 356 Q N -0.210 119.479 119.800 -0.185 0.000 2.112 356 Q HA -0.159 4.185 4.340 0.007 0.000 0.206 356 Q C 1.124 176.879 176.000 -0.409 0.000 0.987 356 Q CA 2.114 57.724 55.803 -0.322 0.000 0.858 356 Q CB 0.080 28.720 28.738 -0.165 0.000 0.905 356 Q HN 0.537 nan 8.270 nan 0.000 0.420 357 N N -1.800 116.571 118.700 -0.548 0.000 2.322 357 N HA 0.072 4.816 4.740 0.007 0.000 0.181 357 N C 0.266 175.202 175.510 -0.958 0.000 1.088 357 N CA 0.530 53.084 53.050 -0.826 0.000 0.885 357 N CB 0.504 38.222 38.487 -1.281 0.000 1.013 357 N HN 0.247 nan 8.380 nan 0.000 0.472 358 F N -1.582 118.268 119.950 -0.167 0.000 2.675 358 F HA 0.253 4.784 4.527 0.007 0.000 0.315 358 F C -0.214 175.710 175.800 0.206 0.000 0.888 358 F CA -0.369 57.644 58.000 0.022 0.000 1.100 358 F CB 0.611 39.623 39.000 0.021 0.000 0.908 358 F HN -0.199 nan 8.300 nan 0.000 0.657 359 Y N 2.942 123.407 120.300 0.275 0.000 2.686 359 Y HA 0.441 4.995 4.550 0.007 0.000 0.331 359 Y C -0.678 175.413 175.900 0.319 0.000 0.996 359 Y CA -1.278 57.009 58.100 0.312 0.000 1.293 359 Y CB -0.120 38.513 38.460 0.289 0.000 1.092 359 Y HN 0.228 nan 8.280 nan 0.000 0.524 360 N N 0.068 118.776 118.700 0.014 0.000 2.825 360 N HA 0.273 5.017 4.740 0.007 0.000 0.253 360 N C 0.255 175.626 175.510 -0.232 0.000 1.426 360 N CA -0.504 52.524 53.050 -0.038 0.000 0.851 360 N CB 0.756 39.114 38.487 -0.215 0.000 1.470 360 N HN 0.108 nan 8.380 nan 0.000 0.517 361 V N -1.561 118.163 119.914 -0.315 0.000 2.453 361 V HA -0.217 3.907 4.120 0.007 0.000 0.252 361 V C 0.844 176.457 176.094 -0.803 0.000 1.068 361 V CA 1.920 63.772 62.300 -0.746 0.000 1.070 361 V CB -1.082 30.480 31.823 -0.435 0.000 0.664 361 V HN 0.702 nan 8.190 nan 0.000 0.461 362 N N -0.160 118.309 118.700 -0.386 0.000 2.515 362 N HA 0.041 4.785 4.740 0.007 0.000 0.191 362 N C 0.290 175.701 175.510 -0.165 0.000 1.182 362 N CA 0.090 52.987 53.050 -0.256 0.000 0.879 362 N CB 0.028 38.415 38.487 -0.166 0.000 0.984 362 N HN 0.403 nan 8.380 nan 0.000 0.453 363 K N 0.690 121.008 120.400 -0.137 0.000 2.177 363 K HA 0.357 4.681 4.320 0.007 0.000 0.238 363 K C -0.691 176.066 176.600 0.260 0.000 1.015 363 K CA -0.336 56.027 56.287 0.127 0.000 0.922 363 K CB 0.746 33.458 32.500 0.354 0.000 1.127 363 K HN -0.102 nan 8.250 nan 0.000 0.469 364 D N 0.617 121.194 120.400 0.295 0.000 2.947 364 D HA 0.254 4.898 4.640 0.007 0.000 0.224 364 D C -0.317 175.955 176.300 -0.047 0.000 1.230 364 D CA -0.437 53.718 54.000 0.259 0.000 0.871 364 D CB 1.705 42.580 40.800 0.125 0.000 1.671 364 D HN 0.286 nan 8.370 nan 0.000 0.507 365 I N 2.580 123.035 120.570 -0.191 0.000 2.574 365 I HA 0.004 4.179 4.170 0.007 0.000 0.291 365 I C 0.959 176.949 176.117 -0.212 0.000 1.131 365 I CA 0.593 61.534 61.300 -0.598 0.000 1.352 365 I CB -0.244 37.520 38.000 -0.393 0.000 1.431 365 I HN 0.276 nan 8.210 nan 0.000 0.543 366 E N 4.860 124.958 120.200 -0.171 0.000 2.433 366 E HA 0.524 4.878 4.350 0.007 0.000 0.273 366 E C -0.064 176.535 176.600 -0.003 0.000 0.950 366 E CA -1.232 55.143 56.400 -0.041 0.000 0.796 366 E CB 1.682 31.379 29.700 -0.005 0.000 1.330 366 E HN 0.546 nan 8.360 nan 0.000 0.455 367 G N 1.686 110.500 108.800 0.023 0.000 2.318 367 G HA2 -0.163 3.801 3.960 0.007 0.000 0.218 367 G HA3 -0.163 3.801 3.960 0.007 0.000 0.218 367 G C 0.400 175.330 174.900 0.050 0.000 0.329 367 G CA 1.563 46.686 45.100 0.038 0.000 1.034 367 G HN 1.328 nan 8.290 nan 0.000 0.438 368 S N 1.350 117.084 115.700 0.056 0.000 3.613 368 S HA 0.212 4.687 4.470 0.007 0.000 0.631 368 S C 1.121 175.767 174.600 0.078 0.000 2.436 368 S CA 1.698 59.940 58.200 0.070 0.000 3.105 368 S CB -1.281 61.961 63.200 0.070 0.000 0.305 368 S HN 3.239 nan 8.310 nan 0.000 1.433 369 A N 0.517 123.400 122.820 0.105 0.000 2.379 369 A HA 0.023 4.347 4.320 0.007 0.000 0.665 369 A C -0.182 177.487 177.584 0.141 0.000 0.178 369 A CA 0.855 52.985 52.037 0.154 0.000 0.125 369 A CB -1.532 17.533 19.000 0.109 0.000 3.856 369 A HN 1.495 nan 8.150 nan 0.000 0.531 370 N N 3.039 121.839 118.700 0.167 0.000 2.472 370 N HA 0.360 5.104 4.740 0.007 0.000 0.277 370 N C 1.611 177.155 175.510 0.056 0.000 1.081 370 N CA -0.295 52.812 53.050 0.094 0.000 0.973 370 N CB 0.326 38.823 38.487 0.017 0.000 1.105 370 N HN 0.791 nan 8.380 nan 0.000 0.470 371 W N 3.001 124.398 121.300 0.161 0.000 2.341 371 W HA -0.168 4.496 4.660 0.007 0.000 0.283 371 W C 1.241 177.841 176.519 0.135 0.000 1.215 371 W CA -0.023 57.391 57.345 0.114 0.000 1.211 371 W CB -1.082 28.447 29.460 0.115 0.000 1.131 371 W HN 0.623 nan 8.180 nan 0.000 0.552 372 W N 3.123 123.420 121.300 -1.673 0.000 2.332 372 W HA -0.217 4.447 4.660 0.006 0.000 0.321 372 W C 2.279 178.409 176.519 -0.648 0.000 1.219 372 W CA 2.784 59.164 57.345 -1.608 0.000 1.277 372 W CB -0.731 27.960 29.460 -1.281 0.000 1.161 372 W HN -0.192 nan 8.180 nan 0.000 0.476 373 D N -0.596 119.658 120.400 -0.244 0.000 2.158 373 D HA -0.227 4.417 4.640 0.007 0.000 0.197 373 D C 2.049 178.094 176.300 -0.424 0.000 0.995 373 D CA 1.754 55.586 54.000 -0.281 0.000 0.846 373 D CB -0.732 40.052 40.800 -0.027 0.000 0.941 373 D HN 0.187 nan 8.370 nan 0.000 0.456 374 F N 1.119 120.875 119.950 -0.322 0.000 2.325 374 F HA -0.009 4.522 4.527 0.007 0.000 0.299 374 F C 2.255 177.942 175.800 -0.189 0.000 1.090 374 F CA 0.817 58.666 58.000 -0.252 0.000 1.392 374 F CB 0.183 38.915 39.000 -0.446 0.000 1.053 374 F HN -0.056 nan 8.300 nan 0.000 0.521 375 E N -1.261 118.868 120.200 -0.117 0.000 2.434 375 E HA 0.176 4.530 4.350 0.007 0.000 0.207 375 E C 1.607 178.048 176.600 -0.266 0.000 0.929 375 E CA 0.474 56.864 56.400 -0.016 0.000 1.001 375 E CB 0.638 30.492 29.700 0.258 0.000 1.016 375 E HN 0.362 nan 8.360 nan 0.000 0.502 376 I N -0.263 119.835 120.570 -0.786 0.000 3.746 376 I HA 0.118 4.292 4.170 0.007 0.000 0.262 376 I C 2.293 177.765 176.117 -1.075 0.000 1.153 376 I CA 0.427 61.156 61.300 -0.952 0.000 1.395 376 I CB -0.181 36.978 38.000 -1.402 0.000 1.589 376 I HN 0.053 nan 8.210 nan 0.000 0.441 377 G N 1.428 109.208 108.800 -1.701 0.000 2.586 377 G HA2 -0.218 3.747 3.960 0.007 0.000 0.218 377 G HA3 -0.218 3.747 3.960 0.007 0.000 0.218 377 G C 1.598 176.150 174.900 -0.580 0.000 1.216 377 G CA 1.526 45.987 45.100 -1.065 0.000 0.786 377 G HN 0.166 nan 8.290 nan 0.000 0.583 378 V N 2.095 121.624 119.914 -0.642 0.000 2.283 378 V HA -0.063 4.061 4.120 0.007 0.000 0.243 378 V C 0.268 175.917 176.094 -0.741 0.000 1.039 378 V CA 2.105 63.930 62.300 -0.791 0.000 1.016 378 V CB -0.920 30.216 31.823 -1.145 0.000 0.650 378 V HN 0.285 nan 8.190 nan 0.000 0.449 379 P HA -0.150 nan 4.420 nan 0.000 0.217 379 P C 1.663 178.820 177.300 -0.238 0.000 1.148 379 P CA 1.299 64.206 63.100 -0.321 0.000 0.828 379 P CB -0.129 31.494 31.700 -0.128 0.000 0.783 380 R N -0.830 119.525 120.500 -0.241 0.000 2.073 380 R HA -0.065 4.279 4.340 0.007 0.000 0.234 380 R C 2.452 178.703 176.300 -0.081 0.000 1.134 380 R CA 1.478 57.507 56.100 -0.118 0.000 0.952 380 R CB -1.336 28.901 30.300 -0.105 0.000 0.850 380 R HN 0.212 nan 8.270 nan 0.000 0.433 381 S N 0.831 116.440 115.700 -0.152 0.000 2.338 381 S HA -0.069 4.405 4.470 0.007 0.000 0.218 381 S C 2.088 176.640 174.600 -0.080 0.000 1.032 381 S CA 0.924 59.071 58.200 -0.088 0.000 0.999 381 S CB -0.171 62.973 63.200 -0.093 0.000 0.905 381 S HN 0.157 nan 8.310 nan 0.000 0.439 382 I N 1.433 121.873 120.570 -0.218 0.000 2.087 382 I HA -0.283 3.891 4.170 0.007 0.000 0.240 382 I C 2.793 178.867 176.117 -0.072 0.000 1.054 382 I CA 1.923 63.124 61.300 -0.165 0.000 1.311 382 I CB -1.053 36.775 38.000 -0.286 0.000 1.024 382 I HN 0.500 nan 8.210 nan 0.000 0.402 383 T N -1.113 113.402 114.554 -0.066 0.000 2.720 383 T HA -0.131 4.223 4.350 0.007 0.000 0.268 383 T C 1.973 176.711 174.700 0.064 0.000 1.037 383 T CA 1.239 63.330 62.100 -0.015 0.000 1.144 383 T CB -1.385 67.466 68.868 -0.029 0.000 0.864 383 T HN 0.477 nan 8.240 nan 0.000 0.444 384 G N 1.307 110.168 108.800 0.101 0.000 2.480 384 G HA2 -0.200 3.764 3.960 0.007 0.000 0.216 384 G HA3 -0.200 3.764 3.960 0.007 0.000 0.216 384 G C 1.757 176.746 174.900 0.148 0.000 1.200 384 G CA 1.437 46.650 45.100 0.187 0.000 0.782 384 G HN 0.512 nan 8.290 nan 0.000 0.554 385 T N 1.362 115.976 114.554 0.101 0.000 2.720 385 T HA -0.045 4.309 4.350 0.007 0.000 0.268 385 T C 2.422 177.193 174.700 0.118 0.000 1.037 385 T CA 1.003 63.176 62.100 0.121 0.000 1.144 385 T CB -0.220 68.719 68.868 0.118 0.000 0.864 385 T HN 0.134 nan 8.240 nan 0.000 0.444 386 L N 0.678 121.909 121.223 0.014 0.000 2.141 386 L HA -0.057 4.287 4.340 0.007 0.000 0.209 386 L C 2.829 179.747 176.870 0.080 0.000 1.094 386 L CA 0.908 55.708 54.840 -0.068 0.000 0.763 386 L CB -0.574 41.386 42.059 -0.165 0.000 0.908 386 L HN 0.292 nan 8.230 nan 0.000 0.437 387 S N 0.325 116.101 115.700 0.126 0.000 2.345 387 S HA -0.121 4.353 4.470 0.007 0.000 0.220 387 S C 2.024 176.746 174.600 0.204 0.000 1.031 387 S CA 0.977 59.288 58.200 0.186 0.000 0.996 387 S CB -0.129 63.249 63.200 0.297 0.000 0.882 387 S HN 0.272 nan 8.310 nan 0.000 0.445 388 L N 0.464 121.810 121.223 0.204 0.000 1.989 388 L HA -0.004 4.340 4.340 0.007 0.000 0.211 388 L C 2.046 179.063 176.870 0.245 0.000 1.071 388 L CA 1.388 56.346 54.840 0.198 0.000 0.749 388 L CB -0.302 41.863 42.059 0.177 0.000 0.890 388 L HN 0.371 nan 8.230 nan 0.000 0.431 389 M N -0.015 119.773 119.600 0.313 0.000 2.626 389 M HA 0.058 4.542 4.480 0.007 0.000 0.262 389 M C 1.204 177.789 176.300 0.476 0.000 1.256 389 M CA -0.089 55.478 55.300 0.445 0.000 0.981 389 M CB -0.316 32.614 32.600 0.551 0.000 1.492 389 M HN 0.272 nan 8.290 nan 0.000 0.474 390 N N 0.860 119.744 118.700 0.306 0.000 2.443 390 N HA -0.212 4.532 4.740 0.007 0.000 0.184 390 N C 0.959 176.593 175.510 0.207 0.000 1.037 390 N CA 1.804 55.009 53.050 0.260 0.000 0.896 390 N CB -0.170 38.410 38.487 0.154 0.000 0.959 390 N HN 0.371 nan 8.380 nan 0.000 0.442 391 N N -1.552 117.210 118.700 0.103 0.000 2.412 391 N HA -0.067 4.678 4.740 0.007 0.000 0.184 391 N C 0.086 175.514 175.510 -0.136 0.000 1.101 391 N CA 0.436 53.461 53.050 -0.042 0.000 0.881 391 N CB -0.373 38.029 38.487 -0.141 0.000 0.969 391 N HN 0.324 nan 8.380 nan 0.000 0.459 392 Y N -0.629 119.695 120.300 0.041 0.000 2.457 392 Y HA 0.385 4.939 4.550 0.007 0.000 0.263 392 Y C -0.218 175.498 175.900 -0.306 0.000 1.164 392 Y CA -0.725 57.276 58.100 -0.164 0.000 1.274 392 Y CB 0.057 38.385 38.460 -0.221 0.000 1.097 392 Y HN -0.127 nan 8.280 nan 0.000 0.523 393 F N -0.728 119.287 119.950 0.108 0.000 2.561 393 F HA 0.411 4.942 4.527 0.007 0.000 0.321 393 F C 0.697 176.509 175.800 0.020 0.000 1.065 393 F CA -1.360 56.681 58.000 0.068 0.000 0.934 393 F CB 1.260 40.322 39.000 0.104 0.000 1.215 393 F HN -0.303 nan 8.300 nan 0.000 0.471 394 T N -2.517 112.158 114.554 0.203 0.000 2.847 394 T HA 0.179 4.533 4.350 0.007 0.000 0.279 394 T C 0.563 175.307 174.700 0.073 0.000 0.984 394 T CA -0.665 61.497 62.100 0.103 0.000 0.988 394 T CB 0.989 69.901 68.868 0.074 0.000 1.040 394 T HN 0.483 nan 8.240 nan 0.000 0.528 395 D N 0.538 120.951 120.400 0.022 0.000 2.219 395 D HA 0.032 4.676 4.640 0.007 0.000 0.205 395 D C 2.269 178.532 176.300 -0.063 0.000 0.970 395 D CA 1.340 55.327 54.000 -0.022 0.000 0.851 395 D CB -0.574 40.205 40.800 -0.035 0.000 0.943 395 D HN 0.727 nan 8.370 nan 0.000 0.488 396 A N 0.941 123.727 122.820 -0.057 0.000 1.898 396 A HA -0.189 4.135 4.320 0.007 0.000 0.216 396 A C 2.090 179.566 177.584 -0.181 0.000 1.181 396 A CA 1.358 53.339 52.037 -0.093 0.000 0.620 396 A CB -0.477 18.486 19.000 -0.061 0.000 0.819 396 A HN 0.162 nan 8.150 nan 0.000 0.442 397 E N -0.416 119.677 120.200 -0.177 0.000 2.085 397 E HA -0.178 4.176 4.350 0.007 0.000 0.194 397 E C 1.819 178.084 176.600 -0.559 0.000 0.994 397 E CA 1.376 57.538 56.400 -0.395 0.000 0.801 397 E CB -0.295 29.386 29.700 -0.031 0.000 0.743 397 E HN 0.686 nan 8.360 nan 0.000 0.453 398 I N 0.979 121.400 120.570 -0.248 0.000 2.286 398 I HA -0.284 3.890 4.170 0.007 0.000 0.248 398 I C 2.429 178.435 176.117 -0.185 0.000 1.115 398 I CA 1.162 62.343 61.300 -0.199 0.000 1.392 398 I CB -0.080 37.855 38.000 -0.108 0.000 1.065 398 I HN 0.005 nan 8.210 nan 0.000 0.418 399 K N 0.500 120.789 120.400 -0.185 0.000 2.062 399 K HA -0.125 4.199 4.320 0.007 0.000 0.205 399 K C 1.987 178.485 176.600 -0.169 0.000 1.051 399 K CA 1.760 57.961 56.287 -0.143 0.000 0.941 399 K CB -0.234 32.194 32.500 -0.120 0.000 0.719 399 K HN 0.113 nan 8.250 nan 0.000 0.440 400 T N 0.337 114.715 114.554 -0.295 0.000 2.652 400 T HA -0.149 4.205 4.350 0.007 0.000 0.267 400 T C 1.251 175.741 174.700 -0.350 0.000 1.039 400 T CA 1.639 63.524 62.100 -0.358 0.000 1.153 400 T CB -0.403 68.131 68.868 -0.558 0.000 0.863 400 T HN 0.231 nan 8.240 nan 0.000 0.428 401 Y N 1.754 121.888 120.300 -0.276 0.000 2.571 401 Y HA 0.043 4.597 4.550 0.007 0.000 0.294 401 Y C 2.770 178.653 175.900 -0.028 0.000 1.141 401 Y CA 0.487 58.460 58.100 -0.211 0.000 1.308 401 Y CB -1.339 37.026 38.460 -0.158 0.000 1.002 401 Y HN 0.384 nan 8.280 nan 0.000 0.551 402 T N -4.822 109.777 114.554 0.076 0.000 3.022 402 T HA 0.030 4.384 4.350 0.007 0.000 0.250 402 T C 1.280 176.036 174.700 0.092 0.000 1.060 402 T CA 0.344 62.496 62.100 0.088 0.000 1.013 402 T CB -0.015 68.863 68.868 0.017 0.000 0.982 402 T HN -0.014 nan 8.240 nan 0.000 0.508 403 D N 2.907 123.339 120.400 0.053 0.000 2.133 403 D HA -0.046 4.598 4.640 0.007 0.000 0.195 403 D C -0.699 175.646 176.300 0.075 0.000 0.997 403 D CA 1.028 55.053 54.000 0.043 0.000 0.840 403 D CB -1.297 39.515 40.800 0.020 0.000 0.947 403 D HN 0.356 nan 8.370 nan 0.000 0.452 404 P HA -0.073 nan 4.420 nan 0.000 0.218 404 P C 1.653 179.072 177.300 0.198 0.000 1.148 404 P CA 0.796 63.917 63.100 0.035 0.000 0.822 404 P CB -0.030 31.609 31.700 -0.101 0.000 0.784 405 I N -0.702 120.049 120.570 0.301 0.000 2.315 405 I HA -0.178 3.997 4.170 0.007 0.000 0.248 405 I C 2.356 178.591 176.117 0.197 0.000 1.117 405 I CA 1.281 62.773 61.300 0.320 0.000 1.404 405 I CB -0.570 37.565 38.000 0.226 0.000 1.071 405 I HN -0.115 nan 8.210 nan 0.000 0.419 406 E N 0.114 120.384 120.200 0.117 0.000 2.072 406 E HA -0.277 4.077 4.350 0.007 0.000 0.191 406 E C 2.047 178.667 176.600 0.033 0.000 0.985 406 E CA 1.512 57.947 56.400 0.058 0.000 0.801 406 E CB -0.480 29.238 29.700 0.029 0.000 0.750 406 E HN 0.609 nan 8.360 nan 0.000 0.452 407 H N -0.625 118.388 119.070 -0.095 0.000 2.353 407 H HA -0.108 4.452 4.556 0.007 0.000 0.300 407 H C 1.626 176.806 175.328 -0.247 0.000 1.090 407 H CA 1.766 57.670 56.048 -0.240 0.000 1.327 407 H CB -0.209 29.294 29.762 -0.430 0.000 1.383 407 H HN 0.040 nan 8.280 nan 0.000 0.508 408 F N -0.430 119.488 119.950 -0.052 0.000 2.473 408 F HA 0.184 4.715 4.527 0.007 0.000 0.294 408 F C 0.609 176.431 175.800 0.036 0.000 1.103 408 F CA 0.310 58.286 58.000 -0.040 0.000 1.442 408 F CB 0.712 39.824 39.000 0.185 0.000 1.097 408 F HN -0.005 nan 8.300 nan 0.000 0.547 409 V N 1.771 121.817 119.914 0.221 0.000 2.462 409 V HA 0.199 4.323 4.120 0.007 0.000 0.257 409 V C -1.920 174.209 176.094 0.058 0.000 0.944 409 V CA -0.853 61.542 62.300 0.158 0.000 0.903 409 V CB 0.894 32.845 31.823 0.215 0.000 1.128 409 V HN -0.094 nan 8.190 nan 0.000 0.486 410 P HA 0.080 nan 4.420 nan 0.000 0.235 410 P C 0.146 177.430 177.300 -0.027 0.000 1.177 410 P CA 0.722 63.810 63.100 -0.019 0.000 0.785 410 P CB 0.658 32.330 31.700 -0.047 0.000 0.885 411 D N -0.473 119.911 120.400 -0.027 0.000 2.440 411 D HA 0.450 5.094 4.640 0.007 0.000 0.239 411 D C 1.161 177.403 176.300 -0.096 0.000 1.084 411 D CA -0.675 53.306 54.000 -0.033 0.000 0.843 411 D CB 1.105 41.922 40.800 0.027 0.000 1.097 411 D HN -0.172 nan 8.370 nan 0.000 0.531 412 A N 3.762 126.518 122.820 -0.107 0.000 2.131 412 A HA -0.162 4.162 4.320 0.007 0.000 0.220 412 A C 1.546 178.981 177.584 -0.248 0.000 1.158 412 A CA 1.217 53.158 52.037 -0.160 0.000 0.665 412 A CB -0.230 18.706 19.000 -0.106 0.000 0.795 412 A HN 0.725 nan 8.150 nan 0.000 0.460 413 E N -2.352 117.710 120.200 -0.230 0.000 2.340 413 E HA 0.086 4.440 4.350 0.007 0.000 0.194 413 E C -0.634 175.550 176.600 -0.694 0.000 0.996 413 E CA 0.204 56.372 56.400 -0.386 0.000 0.869 413 E CB 0.158 29.675 29.700 -0.305 0.000 0.835 413 E HN 0.744 nan 8.360 nan 0.000 0.493 414 Y N -0.740 119.355 120.300 -0.341 0.000 2.536 414 Y HA 0.377 4.931 4.550 0.008 0.000 0.347 414 Y C -0.306 175.272 175.900 -0.536 0.000 1.000 414 Y CA -1.093 56.769 58.100 -0.398 0.000 1.051 414 Y CB 1.306 39.628 38.460 -0.230 0.000 1.259 414 Y HN -0.219 nan 8.280 nan 0.000 0.468 415 F N 0.272 120.013 119.950 -0.348 0.000 2.575 415 F HA 0.547 5.078 4.527 0.006 0.000 0.330 415 F C 0.671 176.194 175.800 -0.462 0.000 1.056 415 F CA -1.863 55.864 58.000 -0.456 0.000 0.964 415 F CB 1.728 40.186 39.000 -0.903 0.000 1.258 415 F HN 0.477 nan 8.300 nan 0.000 0.484 416 R N 0.064 120.552 120.500 -0.021 0.000 3.875 416 R HA -0.268 4.076 4.340 0.007 0.000 0.321 416 R C 1.417 177.713 176.300 -0.006 0.000 1.196 416 R CA 0.890 56.964 56.100 -0.044 0.000 0.868 416 R CB -1.008 29.165 30.300 -0.211 0.000 1.333 416 R HN 0.530 nan 8.270 nan 0.000 0.522 417 K N 0.062 120.474 120.400 0.019 0.000 2.063 417 K HA -0.112 4.212 4.320 0.007 0.000 0.208 417 K C 1.717 178.300 176.600 -0.028 0.000 1.048 417 K CA 2.237 58.507 56.287 -0.028 0.000 0.928 417 K CB -0.187 32.303 32.500 -0.016 0.000 0.713 417 K HN 0.484 nan 8.250 nan 0.000 0.442 418 T N -1.302 113.263 114.554 0.018 0.000 3.113 418 T HA 0.055 4.409 4.350 0.007 0.000 0.263 418 T C 0.571 175.285 174.700 0.023 0.000 1.143 418 T CA 0.057 62.159 62.100 0.003 0.000 1.090 418 T CB -0.030 68.858 68.868 0.033 0.000 0.922 418 T HN -0.126 nan 8.240 nan 0.000 0.521 419 L N 1.397 122.636 121.223 0.027 0.000 2.492 419 L HA 0.494 4.838 4.340 0.007 0.000 0.263 419 L C 1.322 178.189 176.870 -0.005 0.000 1.062 419 L CA -1.350 53.503 54.840 0.022 0.000 0.817 419 L CB 0.967 43.050 42.059 0.041 0.000 1.441 419 L HN 0.125 nan 8.230 nan 0.000 0.493 420 V N -0.816 119.098 119.914 -0.000 0.000 3.337 420 V HA 0.300 4.424 4.120 0.007 0.000 0.343 420 V C 0.064 176.152 176.094 -0.010 0.000 1.302 420 V CA 0.015 62.309 62.300 -0.010 0.000 1.268 420 V CB -1.367 30.454 31.823 -0.003 0.000 1.185 420 V HN 0.893 nan 8.190 nan 0.000 0.447 421 N N -0.367 118.327 118.700 -0.009 0.000 2.604 421 N HA 0.222 4.966 4.740 0.007 0.000 0.284 421 N C -3.191 172.336 175.510 0.029 0.000 1.716 421 N CA -1.042 52.012 53.050 0.007 0.000 0.859 421 N CB 0.296 38.788 38.487 0.009 0.000 1.403 421 N HN 0.354 nan 8.380 nan 0.000 0.501 422 P HA 0.162 nan 4.420 nan 0.000 0.267 422 P C -0.512 176.869 177.300 0.135 0.000 1.209 422 P CA 0.002 63.085 63.100 -0.028 0.000 0.763 422 P CB 0.037 31.641 31.700 -0.161 0.000 0.816 423 F N 0.908 120.933 119.950 0.125 0.000 2.522 423 F HA 0.602 5.133 4.527 0.007 0.000 0.324 423 F C 0.055 176.008 175.800 0.254 0.000 1.077 423 F CA -1.715 56.400 58.000 0.191 0.000 0.944 423 F CB 1.322 40.337 39.000 0.026 0.000 1.175 423 F HN -0.038 nan 8.300 nan 0.000 0.468 424 K N 2.347 122.905 120.400 0.265 0.000 2.451 424 K HA 0.319 4.643 4.320 0.007 0.000 0.280 424 K C -0.246 176.299 176.600 -0.092 0.000 1.020 424 K CA 0.120 56.207 56.287 -0.333 0.000 1.008 424 K CB 1.049 33.404 32.500 -0.243 0.000 0.917 424 K HN 0.942 nan 8.250 nan 0.000 0.478 425 A N 5.861 128.473 122.820 -0.345 0.000 2.396 425 A HA 0.401 4.725 4.320 0.007 0.000 0.279 425 A C -0.340 177.227 177.584 -0.028 0.000 1.165 425 A CA -0.166 51.778 52.037 -0.155 0.000 0.824 425 A CB -0.040 18.651 19.000 -0.515 0.000 1.100 425 A HN 0.660 nan 8.150 nan 0.000 0.516 426 L N 2.316 123.617 121.223 0.131 0.000 2.466 426 L HA 0.642 4.986 4.340 0.007 0.000 0.258 426 L C 1.023 177.961 176.870 0.114 0.000 0.973 426 L CA -0.102 54.782 54.840 0.074 0.000 0.826 426 L CB 2.098 44.183 42.059 0.043 0.000 1.372 426 L HN 1.170 nan 8.230 nan 0.000 0.409 427 G N 1.531 110.372 108.800 0.068 0.000 2.591 427 G HA2 -0.327 3.638 3.960 0.007 0.000 0.298 427 G HA3 -0.327 3.638 3.960 0.007 0.000 0.298 427 G C 0.870 175.852 174.900 0.137 0.000 1.195 427 G CA 0.615 45.765 45.100 0.085 0.000 0.989 427 G HN 1.055 nan 8.290 nan 0.000 0.551 428 G N 0.120 109.016 108.800 0.160 0.000 2.476 428 G HA2 -0.242 3.722 3.960 0.007 0.000 0.218 428 G HA3 -0.242 3.722 3.960 0.007 0.000 0.218 428 G C 1.587 176.639 174.900 0.254 0.000 1.164 428 G CA 1.861 47.075 45.100 0.190 0.000 0.768 428 G HN 0.712 nan 8.290 nan 0.000 0.560 429 N N 0.238 119.132 118.700 0.324 0.000 2.120 429 N HA -0.083 4.661 4.740 0.007 0.000 0.188 429 N C 1.997 177.803 175.510 0.493 0.000 1.024 429 N CA 0.863 54.217 53.050 0.507 0.000 0.852 429 N CB -0.550 38.349 38.487 0.687 0.000 1.003 429 N HN 0.274 nan 8.380 nan 0.000 0.424 430 L N 0.788 122.183 121.223 0.286 0.000 2.141 430 L HA -0.017 4.327 4.340 0.007 0.000 0.209 430 L C 1.910 178.863 176.870 0.140 0.000 1.094 430 L CA 1.019 55.944 54.840 0.143 0.000 0.763 430 L CB -0.375 41.712 42.059 0.047 0.000 0.908 430 L HN -0.097 nan 8.230 nan 0.000 0.437 431 V N -0.378 119.635 119.914 0.165 0.000 2.295 431 V HA -0.273 3.851 4.120 0.007 0.000 0.246 431 V C 2.286 178.485 176.094 0.174 0.000 1.049 431 V CA 1.939 64.330 62.300 0.152 0.000 1.024 431 V CB -0.673 31.244 31.823 0.156 0.000 0.648 431 V HN 0.441 nan 8.190 nan 0.000 0.447 432 D N -0.522 120.018 120.400 0.233 0.000 2.104 432 D HA -0.218 4.426 4.640 0.007 0.000 0.194 432 D C 2.045 178.490 176.300 0.243 0.000 0.994 432 D CA 1.679 55.825 54.000 0.242 0.000 0.830 432 D CB -0.212 40.763 40.800 0.291 0.000 0.959 432 D HN 0.380 nan 8.370 nan 0.000 0.452 433 M N 0.611 120.406 119.600 0.324 0.000 2.213 433 M HA -0.043 4.441 4.480 0.007 0.000 0.263 433 M C 1.862 178.200 176.300 0.065 0.000 1.062 433 M CA 1.703 57.124 55.300 0.200 0.000 1.105 433 M CB -0.405 32.172 32.600 -0.037 0.000 1.385 433 M HN -0.011 nan 8.290 nan 0.000 0.417 434 G N -0.414 108.422 108.800 0.060 0.000 2.404 434 G HA2 -0.175 3.789 3.960 0.007 0.000 0.215 434 G HA3 -0.175 3.789 3.960 0.007 0.000 0.215 434 G C 1.729 176.607 174.900 -0.037 0.000 1.174 434 G CA 0.582 45.690 45.100 0.013 0.000 0.780 434 G HN 0.453 nan 8.290 nan 0.000 0.537 435 R N -0.368 120.133 120.500 0.002 0.000 2.096 435 R HA 0.006 4.350 4.340 0.007 0.000 0.235 435 R C 2.660 178.902 176.300 -0.097 0.000 1.127 435 R CA 1.004 57.069 56.100 -0.058 0.000 0.968 435 R CB -0.395 29.980 30.300 0.126 0.000 0.861 435 R HN 0.305 nan 8.270 nan 0.000 0.440 436 V N 1.415 121.319 119.914 -0.017 0.000 2.239 436 V HA -0.231 3.893 4.120 0.007 0.000 0.242 436 V C 2.168 178.229 176.094 -0.056 0.000 1.038 436 V CA 1.639 63.925 62.300 -0.024 0.000 1.002 436 V CB -0.275 31.566 31.823 0.030 0.000 0.641 436 V HN 0.230 nan 8.190 nan 0.000 0.449 437 K N -0.200 120.179 120.400 -0.035 0.000 2.148 437 K HA -0.048 4.276 4.320 0.007 0.000 0.204 437 K C 2.039 178.593 176.600 -0.076 0.000 1.050 437 K CA 1.085 57.345 56.287 -0.046 0.000 0.942 437 K CB -0.507 31.972 32.500 -0.035 0.000 0.724 437 K HN 0.314 nan 8.250 nan 0.000 0.446 438 I N 1.695 122.196 120.570 -0.116 0.000 2.142 438 I HA -0.241 3.933 4.170 0.007 0.000 0.240 438 I C 2.268 178.277 176.117 -0.179 0.000 1.078 438 I CA 1.090 62.308 61.300 -0.137 0.000 1.343 438 I CB -0.920 36.966 38.000 -0.190 0.000 1.046 438 I HN -0.013 nan 8.210 nan 0.000 0.405 439 I N 0.503 120.888 120.570 -0.308 0.000 2.286 439 I HA -0.226 3.948 4.170 0.007 0.000 0.248 439 I C 2.515 178.551 176.117 -0.136 0.000 1.115 439 I CA 1.140 62.251 61.300 -0.315 0.000 1.392 439 I CB -1.443 36.294 38.000 -0.439 0.000 1.065 439 I HN 0.383 nan 8.210 nan 0.000 0.418 440 E N 1.222 121.360 120.200 -0.102 0.000 2.051 440 E HA -0.195 4.160 4.350 0.007 0.000 0.192 440 E C 2.328 178.901 176.600 -0.044 0.000 0.991 440 E CA 1.540 57.907 56.400 -0.055 0.000 0.799 440 E CB -0.256 29.424 29.700 -0.033 0.000 0.748 440 E HN 0.475 nan 8.360 nan 0.000 0.449 441 G N 1.174 109.954 108.800 -0.033 0.000 2.450 441 G HA2 -0.227 3.737 3.960 0.007 0.000 0.220 441 G HA3 -0.227 3.737 3.960 0.007 0.000 0.220 441 G C 1.635 176.561 174.900 0.042 0.000 1.130 441 G CA 0.615 45.716 45.100 0.001 0.000 0.760 441 G HN 0.193 nan 8.290 nan 0.000 0.557 442 L N -0.378 120.887 121.223 0.069 0.000 2.044 442 L HA 0.093 4.437 4.340 0.007 0.000 0.205 442 L C 2.875 179.760 176.870 0.024 0.000 1.075 442 L CA 0.384 55.337 54.840 0.189 0.000 0.747 442 L CB -0.362 41.782 42.059 0.142 0.000 0.903 442 L HN 0.161 nan 8.230 nan 0.000 0.435 443 L N -0.401 120.809 121.223 -0.021 0.000 2.042 443 L HA -0.218 4.126 4.340 0.007 0.000 0.210 443 L C 2.425 179.225 176.870 -0.116 0.000 1.076 443 L CA 1.427 56.237 54.840 -0.050 0.000 0.749 443 L CB -0.364 41.668 42.059 -0.044 0.000 0.893 443 L HN 0.212 nan 8.230 nan 0.000 0.432 444 R N -0.036 120.383 120.500 -0.135 0.000 2.310 444 R HA 0.043 4.387 4.340 0.007 0.000 0.202 444 R C 0.051 176.166 176.300 -0.308 0.000 0.933 444 R CA -0.086 55.912 56.100 -0.170 0.000 1.054 444 R CB 0.096 30.329 30.300 -0.112 0.000 0.985 444 R HN 0.154 nan 8.270 nan 0.000 0.489 445 K N 1.643 121.722 120.400 -0.535 0.000 3.148 445 K HA -0.182 4.142 4.320 0.007 0.000 0.267 445 K C -0.720 175.469 176.600 -0.685 0.000 0.996 445 K CA 0.791 56.282 56.287 -1.327 0.000 0.737 445 K CB -1.020 30.803 32.500 -1.128 0.000 1.308 445 K HN 0.192 nan 8.250 nan 0.000 0.470 446 D N 0.428 120.683 120.400 -0.242 0.000 2.464 446 D HA 0.179 4.823 4.640 0.007 0.000 0.243 446 D C 0.331 176.707 176.300 0.126 0.000 1.104 446 D CA -0.421 53.559 54.000 -0.033 0.000 0.883 446 D CB 0.381 41.150 40.800 -0.051 0.000 1.050 446 D HN 0.202 nan 8.370 nan 0.000 0.524 447 N N 1.099 119.941 118.700 0.236 0.000 2.520 447 N HA -0.083 4.661 4.740 0.007 0.000 0.185 447 N C 1.208 176.766 175.510 0.081 0.000 1.068 447 N CA 0.729 53.939 53.050 0.266 0.000 0.911 447 N CB 0.565 39.263 38.487 0.351 0.000 0.961 447 N HN 0.278 nan 8.380 nan 0.000 0.446 448 T N 0.377 114.950 114.554 0.032 0.000 2.851 448 T HA 0.045 4.399 4.350 0.007 0.000 0.262 448 T C 1.815 176.465 174.700 -0.083 0.000 1.043 448 T CA 0.546 62.621 62.100 -0.042 0.000 1.140 448 T CB 0.082 68.938 68.868 -0.020 0.000 0.872 448 T HN 0.187 nan 8.240 nan 0.000 0.446 449 I N 0.785 121.327 120.570 -0.046 0.000 2.252 449 I HA -0.092 4.082 4.170 0.007 0.000 0.245 449 I C 2.187 178.259 176.117 -0.074 0.000 1.102 449 I CA 1.149 62.416 61.300 -0.054 0.000 1.385 449 I CB -0.342 37.639 38.000 -0.031 0.000 1.064 449 I HN 0.218 nan 8.210 nan 0.000 0.414 450 I N 0.626 121.165 120.570 -0.052 0.000 2.179 450 I HA -0.298 3.876 4.170 0.007 0.000 0.242 450 I C 2.621 178.596 176.117 -0.237 0.000 1.088 450 I CA 1.602 62.868 61.300 -0.057 0.000 1.357 450 I CB -0.559 37.490 38.000 0.082 0.000 1.051 450 I HN 0.311 nan 8.210 nan 0.000 0.409 451 E N 1.775 121.647 120.200 -0.546 0.000 2.058 451 E HA -0.284 4.071 4.350 0.007 0.000 0.194 451 E C 2.144 178.515 176.600 -0.381 0.000 0.997 451 E CA 1.648 57.461 56.400 -0.979 0.000 0.801 451 E CB 0.067 29.093 29.700 -1.123 0.000 0.746 451 E HN 0.299 nan 8.360 nan 0.000 0.450 452 K N -0.416 119.842 120.400 -0.237 0.000 2.097 452 K HA -0.089 4.235 4.320 0.007 0.000 0.206 452 K C 2.136 178.697 176.600 -0.066 0.000 1.049 452 K CA 1.880 58.090 56.287 -0.130 0.000 0.933 452 K CB -0.076 32.355 32.500 -0.115 0.000 0.717 452 K HN 0.138 nan 8.250 nan 0.000 0.442 453 T N 0.100 114.607 114.554 -0.078 0.000 2.857 453 T HA -0.075 4.279 4.350 0.007 0.000 0.266 453 T C 1.903 176.599 174.700 -0.007 0.000 1.048 453 T CA 1.404 63.476 62.100 -0.046 0.000 1.139 453 T CB -0.156 68.682 68.868 -0.050 0.000 0.874 453 T HN 0.154 nan 8.240 nan 0.000 0.455 454 S N 0.992 116.688 115.700 -0.008 0.000 2.353 454 S HA -0.191 4.283 4.470 0.007 0.000 0.222 454 S C 1.822 176.474 174.600 0.087 0.000 1.035 454 S CA 1.615 59.850 58.200 0.058 0.000 1.025 454 S CB -0.664 62.584 63.200 0.079 0.000 0.902 454 S HN 0.703 nan 8.310 nan 0.000 0.440 455 H N 1.225 120.283 119.070 -0.021 0.000 2.319 455 H HA -0.099 4.461 4.556 0.007 0.000 0.297 455 H C 2.425 177.752 175.328 -0.001 0.000 1.097 455 H CA 1.934 57.983 56.048 0.001 0.000 1.285 455 H CB -0.378 29.365 29.762 -0.032 0.000 1.368 455 H HN 0.350 nan 8.280 nan 0.000 0.495 456 S N -0.538 115.244 115.700 0.136 0.000 2.356 456 S HA -0.118 4.356 4.470 0.007 0.000 0.223 456 S C 2.224 176.810 174.600 -0.024 0.000 1.032 456 S CA 1.232 59.456 58.200 0.040 0.000 1.005 456 S CB -0.458 62.726 63.200 -0.027 0.000 0.867 456 S HN 0.504 nan 8.310 nan 0.000 0.449 457 L N 0.659 121.879 121.223 -0.005 0.000 2.261 457 L HA -0.064 4.280 4.340 0.007 0.000 0.216 457 L C 2.379 179.216 176.870 -0.055 0.000 1.114 457 L CA 1.152 55.982 54.840 -0.016 0.000 0.777 457 L CB -0.260 41.827 42.059 0.046 0.000 0.910 457 L HN 0.259 nan 8.230 nan 0.000 0.440 458 K N -0.156 120.261 120.400 0.028 0.000 2.442 458 K HA -0.093 4.231 4.320 0.007 0.000 0.198 458 K C 1.356 177.966 176.600 0.017 0.000 1.044 458 K CA 0.542 56.911 56.287 0.138 0.000 0.948 458 K CB -0.051 32.495 32.500 0.078 0.000 0.762 458 K HN 0.263 nan 8.250 nan 0.000 0.472 459 N N 0.271 118.930 118.700 -0.069 0.000 2.571 459 N HA -0.043 4.701 4.740 0.007 0.000 0.189 459 N C 0.983 176.445 175.510 -0.081 0.000 1.154 459 N CA 0.561 53.579 53.050 -0.053 0.000 0.907 459 N CB 0.157 38.610 38.487 -0.058 0.000 0.977 459 N HN 0.229 nan 8.380 nan 0.000 0.449 460 L N -0.676 120.392 121.223 -0.258 0.000 2.249 460 L HA 0.107 4.451 4.340 0.007 0.000 0.207 460 L C -0.108 176.699 176.870 -0.105 0.000 1.090 460 L CA 0.446 55.104 54.840 -0.304 0.000 0.802 460 L CB -0.044 41.623 42.059 -0.652 0.000 0.947 460 L HN -0.034 nan 8.230 nan 0.000 0.453 461 F N 0.264 120.396 119.950 0.303 0.000 2.515 461 F HA 0.351 4.882 4.527 0.007 0.000 0.353 461 F C 0.469 176.400 175.800 0.218 0.000 1.213 461 F CA -0.137 58.021 58.000 0.264 0.000 1.194 461 F CB -0.010 39.036 39.000 0.078 0.000 1.488 461 F HN -0.240 nan 8.300 nan 0.000 0.619 462 T N 0.485 115.294 114.554 0.425 0.000 2.830 462 T HA 0.469 4.823 4.350 0.007 0.000 0.322 462 T C -0.931 173.948 174.700 0.299 0.000 1.501 462 T CA -0.561 61.703 62.100 0.273 0.000 1.036 462 T CB 1.351 70.310 68.868 0.151 0.000 1.379 462 T HN 0.188 nan 8.240 nan 0.000 0.493 463 T N 2.789 117.453 114.554 0.184 0.000 2.772 463 T HA 0.706 5.060 4.350 0.007 0.000 0.288 463 T C 0.238 174.905 174.700 -0.055 0.000 0.994 463 T CA -0.373 61.806 62.100 0.132 0.000 0.951 463 T CB 1.059 70.016 68.868 0.148 0.000 0.933 463 T HN 0.915 nan 8.240 nan 0.000 0.447 464 A N 2.629 125.288 122.820 -0.268 0.000 2.425 464 A HA 0.511 4.835 4.320 0.007 0.000 0.249 464 A C 1.421 178.575 177.584 -0.716 0.000 1.084 464 A CA -0.165 51.535 52.037 -0.560 0.000 0.781 464 A CB 0.120 18.599 19.000 -0.868 0.000 1.019 464 A HN 0.946 nan 8.150 nan 0.000 0.490 465 T N -1.314 113.041 114.554 -0.332 0.000 2.955 465 T HA 0.308 4.662 4.350 0.007 0.000 0.251 465 T C 0.367 175.197 174.700 0.217 0.000 1.002 465 T CA 0.463 62.565 62.100 0.004 0.000 0.970 465 T CB -0.098 68.796 68.868 0.045 0.000 1.091 465 T HN 0.728 nan 8.240 nan 0.000 0.495 466 K N 0.297 120.743 120.400 0.078 0.000 2.527 466 K HA 0.578 4.902 4.320 0.007 0.000 0.260 466 K C -0.163 176.489 176.600 0.088 0.000 0.937 466 K CA -0.031 56.348 56.287 0.154 0.000 0.826 466 K CB 1.711 34.261 32.500 0.082 0.000 1.359 466 K HN 0.319 nan 8.250 nan 0.000 0.434 467 A N 1.804 124.697 122.820 0.121 0.000 5.327 467 A HA -0.233 4.092 4.320 0.007 0.000 0.280 467 A C -0.884 176.713 177.584 0.021 0.000 2.126 467 A CA 1.074 53.136 52.037 0.040 0.000 0.716 467 A CB -1.631 17.360 19.000 -0.015 0.000 1.154 467 A HN 0.744 nan 8.150 nan 0.000 0.349 468 E N -0.164 119.975 120.200 -0.103 0.000 2.222 468 E HA 0.621 4.976 4.350 0.007 0.000 0.267 468 E C 0.322 176.697 176.600 -0.374 0.000 0.963 468 E CA 0.413 56.666 56.400 -0.247 0.000 0.837 468 E CB 1.516 31.056 29.700 -0.267 0.000 1.183 468 E HN 2.308 nan 8.360 nan 0.000 0.403 469 G N 0.239 108.640 108.800 -0.664 0.000 2.316 469 G HA2 -0.058 3.907 3.960 0.007 0.000 0.349 469 G HA3 -0.058 3.907 3.960 0.007 0.000 0.349 469 G C -1.553 172.964 174.900 -0.639 0.000 1.274 469 G CA -1.182 43.534 45.100 -0.639 0.000 1.018 469 G HN 0.243 nan 8.290 nan 0.000 0.486 470 F N 1.111 120.952 119.950 -0.182 0.000 2.411 470 F HA 0.665 5.197 4.527 0.008 0.000 0.355 470 F C 0.668 176.441 175.800 -0.044 0.000 1.117 470 F CA -0.340 57.632 58.000 -0.048 0.000 1.139 470 F CB 0.731 39.586 39.000 -0.242 0.000 1.120 470 F HN 0.432 nan 8.300 nan 0.000 0.493 471 Y N 1.059 121.480 120.300 0.202 0.000 2.356 471 Y HA 0.417 4.971 4.550 0.006 0.000 0.341 471 Y C 1.473 177.503 175.900 0.216 0.000 1.343 471 Y CA -0.010 58.190 58.100 0.166 0.000 1.570 471 Y CB 0.463 38.988 38.460 0.109 0.000 1.558 471 Y HN 0.613 nan 8.280 nan 0.000 0.557 472 A N 0.218 123.244 122.820 0.343 0.000 1.898 472 A HA -0.169 4.155 4.320 0.007 0.000 0.216 472 A C 1.462 179.191 177.584 0.242 0.000 1.181 472 A CA 1.810 53.996 52.037 0.249 0.000 0.620 472 A CB -0.894 18.222 19.000 0.193 0.000 0.819 472 A HN 0.808 nan 8.150 nan 0.000 0.442 473 D N -1.436 119.116 120.400 0.254 0.000 2.332 473 D HA 0.254 4.898 4.640 0.007 0.000 0.244 473 D C 1.130 177.637 176.300 0.345 0.000 1.136 473 D CA 0.878 55.000 54.000 0.203 0.000 0.884 473 D CB -0.786 40.091 40.800 0.129 0.000 0.906 473 D HN 0.773 nan 8.370 nan 0.000 0.520 474 G N -0.404 108.643 108.800 0.411 0.000 2.234 474 G HA2 -0.314 3.650 3.960 0.007 0.000 0.260 474 G HA3 -0.314 3.650 3.960 0.007 0.000 0.260 474 G C 0.531 175.692 174.900 0.435 0.000 0.987 474 G CA 0.327 45.731 45.100 0.506 0.000 0.625 474 G HN 0.479 nan 8.290 nan 0.000 0.532 475 S N -0.358 115.598 115.700 0.426 0.000 2.568 475 S HA 0.447 4.921 4.470 0.007 0.000 0.282 475 S C -0.365 174.344 174.600 0.183 0.000 1.338 475 S CA 0.262 58.532 58.200 0.117 0.000 1.045 475 S CB 0.801 64.044 63.200 0.072 0.000 0.873 475 S HN 0.729 nan 8.310 nan 0.000 0.516 476 Y N 3.409 123.624 120.300 -0.143 0.000 2.346 476 Y HA 0.548 5.103 4.550 0.008 0.000 0.332 476 Y C -1.045 174.772 175.900 -0.139 0.000 0.985 476 Y CA -0.903 57.065 58.100 -0.220 0.000 1.112 476 Y CB 0.523 38.687 38.460 -0.494 0.000 1.170 476 Y HN 0.396 nan 8.280 nan 0.000 0.447 477 I N 5.494 125.672 120.570 -0.654 0.000 2.562 477 I HA 0.436 4.610 4.170 0.007 0.000 0.301 477 I C -0.629 175.117 176.117 -0.618 0.000 1.003 477 I CA -0.504 60.551 61.300 -0.408 0.000 1.127 477 I CB 1.837 39.765 38.000 -0.120 0.000 1.304 477 I HN 0.693 nan 8.210 nan 0.000 0.446 478 D N 2.380 122.649 120.400 -0.219 0.000 2.583 478 D HA 0.303 4.947 4.640 0.007 0.000 0.248 478 D C -0.400 175.890 176.300 -0.017 0.000 1.209 478 D CA -0.178 53.696 54.000 -0.209 0.000 0.848 478 D CB 1.574 42.221 40.800 -0.256 0.000 1.431 478 D HN 0.689 nan 8.370 nan 0.000 0.436 479 H N 0.828 119.763 119.070 -0.226 0.000 2.839 479 H HA -0.227 4.334 4.556 0.008 0.000 0.298 479 H C 0.426 175.698 175.328 -0.093 0.000 1.224 479 H CA 0.614 56.569 56.048 -0.155 0.000 1.144 479 H CB -0.919 28.813 29.762 -0.051 0.000 1.372 479 H HN 0.596 nan 8.280 nan 0.000 0.408 480 T N -1.262 113.291 114.554 -0.001 0.000 13.498 480 T HA -0.306 4.048 4.350 0.007 0.000 0.418 480 T C 0.680 175.375 174.700 -0.008 0.000 1.449 480 T CA 1.872 63.961 62.100 -0.019 0.000 2.365 480 T CB -1.000 67.854 68.868 -0.024 0.000 2.783 480 T HN 0.681 nan 8.240 nan 0.000 0.534 481 N N 1.116 119.817 118.700 0.002 0.000 2.628 481 N HA 0.473 5.217 4.740 0.007 0.000 0.299 481 N C -1.149 174.349 175.510 -0.019 0.000 1.834 481 N CA -0.272 52.771 53.050 -0.010 0.000 0.871 481 N CB 0.421 38.909 38.487 0.002 0.000 1.377 481 N HN 0.513 nan 8.380 nan 0.000 0.493 482 V N 0.283 120.188 119.914 -0.014 0.000 2.540 482 V HA 0.769 4.894 4.120 0.007 0.000 0.302 482 V C 0.283 176.318 176.094 -0.099 0.000 1.035 482 V CA -1.309 60.950 62.300 -0.067 0.000 0.873 482 V CB 1.502 33.302 31.823 -0.039 0.000 0.992 482 V HN 0.462 nan 8.190 nan 0.000 0.428 483 A N 4.065 126.788 122.820 -0.163 0.000 2.473 483 A HA 0.391 4.715 4.320 0.007 0.000 0.282 483 A C -0.370 177.129 177.584 -0.142 0.000 1.163 483 A CA 0.471 52.427 52.037 -0.135 0.000 0.827 483 A CB -0.574 18.343 19.000 -0.138 0.000 1.098 483 A HN 0.799 nan 8.150 nan 0.000 0.515 484 Y N 2.007 122.333 120.300 0.043 0.000 2.742 484 Y HA 0.124 4.678 4.550 0.006 0.000 0.248 484 Y C 1.790 177.784 175.900 0.157 0.000 1.132 484 Y CA -0.142 58.035 58.100 0.130 0.000 1.142 484 Y CB -0.038 38.553 38.460 0.217 0.000 1.222 484 Y HN 0.711 nan 8.280 nan 0.000 0.575 485 T N -1.747 112.910 114.554 0.172 0.000 2.684 485 T HA -0.172 4.182 4.350 0.007 0.000 0.267 485 T C 2.102 176.777 174.700 -0.040 0.000 1.036 485 T CA 1.724 63.727 62.100 -0.161 0.000 1.148 485 T CB -0.380 68.264 68.868 -0.373 0.000 0.863 485 T HN 0.553 nan 8.240 nan 0.000 0.436 486 G N -0.119 108.689 108.800 0.015 0.000 2.990 486 G HA2 0.401 4.365 3.960 0.007 0.000 0.206 486 G HA3 0.401 4.365 3.960 0.007 0.000 0.206 486 G C 0.784 175.700 174.900 0.027 0.000 1.169 486 G CA 0.670 45.796 45.100 0.045 0.000 0.819 486 G HN 0.637 nan 8.290 nan 0.000 0.517 487 A N -0.579 122.253 122.820 0.021 0.000 1.730 487 A HA 0.402 4.726 4.320 0.007 0.000 0.160 487 A C 1.442 178.832 177.584 -0.323 0.000 1.746 487 A CA 0.033 51.968 52.037 -0.170 0.000 1.283 487 A CB -0.401 18.491 19.000 -0.180 0.000 0.995 487 A HN 0.064 nan 8.150 nan 0.000 0.764 488 Y N 1.655 121.787 120.300 -0.281 0.000 2.439 488 Y HA 0.057 4.611 4.550 0.007 0.000 0.292 488 Y C 2.550 178.302 175.900 -0.246 0.000 1.130 488 Y CA 1.161 59.099 58.100 -0.269 0.000 1.254 488 Y CB -0.318 37.949 38.460 -0.322 0.000 1.000 488 Y HN 0.427 nan 8.280 nan 0.000 0.554 489 G N -0.198 108.448 108.800 -0.257 0.000 2.395 489 G HA2 -0.229 3.735 3.960 0.007 0.000 0.214 489 G HA3 -0.229 3.735 3.960 0.007 0.000 0.214 489 G C 1.531 176.453 174.900 0.037 0.000 1.177 489 G CA 0.817 45.613 45.100 -0.505 0.000 0.794 489 G HN 0.270 nan 8.290 nan 0.000 0.532 490 N N 0.576 119.309 118.700 0.056 0.000 2.037 490 N HA -0.146 4.598 4.740 0.007 0.000 0.196 490 N C 2.287 177.713 175.510 -0.141 0.000 1.034 490 N CA 1.421 54.410 53.050 -0.101 0.000 0.861 490 N CB -0.776 37.641 38.487 -0.117 0.000 1.039 490 N HN 0.165 nan 8.380 nan 0.000 0.427 491 V N 1.464 121.310 119.914 -0.113 0.000 2.255 491 V HA -0.212 3.912 4.120 0.007 0.000 0.247 491 V C 2.376 178.463 176.094 -0.013 0.000 1.051 491 V CA 1.401 63.656 62.300 -0.075 0.000 1.018 491 V CB -0.720 31.056 31.823 -0.079 0.000 0.641 491 V HN 0.333 nan 8.190 nan 0.000 0.445 492 L N -0.579 120.652 121.223 0.013 0.000 1.978 492 L HA -0.292 4.052 4.340 0.007 0.000 0.218 492 L C 2.369 179.297 176.870 0.096 0.000 1.075 492 L CA 2.382 57.263 54.840 0.068 0.000 0.767 492 L CB -0.278 41.804 42.059 0.039 0.000 0.890 492 L HN 0.287 nan 8.230 nan 0.000 0.434 493 I N -0.417 120.200 120.570 0.077 0.000 2.252 493 I HA -0.325 3.850 4.170 0.007 0.000 0.245 493 I C 2.062 178.184 176.117 0.009 0.000 1.102 493 I CA 1.790 63.139 61.300 0.082 0.000 1.385 493 I CB -0.110 37.862 38.000 -0.047 0.000 1.064 493 I HN 0.458 nan 8.210 nan 0.000 0.414 494 D N 0.421 120.773 120.400 -0.080 0.000 2.087 494 D HA -0.191 4.453 4.640 0.007 0.000 0.192 494 D C 2.108 178.410 176.300 0.003 0.000 0.993 494 D CA 1.842 55.789 54.000 -0.088 0.000 0.828 494 D CB -0.475 40.251 40.800 -0.123 0.000 0.968 494 D HN 0.373 nan 8.370 nan 0.000 0.448 495 G N -0.083 108.744 108.800 0.044 0.000 2.448 495 G HA2 -0.203 3.761 3.960 0.007 0.000 0.219 495 G HA3 -0.203 3.761 3.960 0.007 0.000 0.219 495 G C 1.533 176.523 174.900 0.150 0.000 1.127 495 G CA 0.836 45.999 45.100 0.106 0.000 0.766 495 G HN 0.348 nan 8.290 nan 0.000 0.552 496 L N 1.811 123.120 121.223 0.145 0.000 2.056 496 L HA -0.007 4.337 4.340 0.007 0.000 0.207 496 L C 3.048 180.018 176.870 0.168 0.000 1.078 496 L CA 2.652 57.599 54.840 0.180 0.000 0.749 496 L CB -1.043 41.151 42.059 0.225 0.000 0.901 496 L HN 0.317 nan 8.230 nan 0.000 0.433 497 T N -3.772 110.858 114.554 0.126 0.000 3.007 497 T HA -0.180 4.174 4.350 0.007 0.000 0.270 497 T C 1.728 176.494 174.700 0.110 0.000 1.107 497 T CA 1.310 63.470 62.100 0.100 0.000 1.118 497 T CB -0.363 68.543 68.868 0.063 0.000 0.889 497 T HN 0.538 nan 8.240 nan 0.000 0.506 498 Q N 0.102 119.983 119.800 0.135 0.000 2.137 498 Q HA 0.217 4.562 4.340 0.007 0.000 0.198 498 Q C 2.352 178.560 176.000 0.347 0.000 0.960 498 Q CA 0.810 56.711 55.803 0.163 0.000 0.847 498 Q CB -0.148 28.669 28.738 0.133 0.000 0.915 498 Q HN 0.497 nan 8.270 nan 0.000 0.448 499 L N 0.211 121.638 121.223 0.339 0.000 2.072 499 L HA -0.165 4.180 4.340 0.007 0.000 0.205 499 L C 2.128 179.124 176.870 0.211 0.000 1.079 499 L CA 0.294 55.315 54.840 0.302 0.000 0.752 499 L CB -0.227 41.952 42.059 0.199 0.000 0.906 499 L HN 0.253 nan 8.230 nan 0.000 0.436 500 L N 0.424 121.756 121.223 0.181 0.000 1.997 500 L HA -0.202 4.142 4.340 0.007 0.000 0.216 500 L C -0.083 176.862 176.870 0.124 0.000 1.074 500 L CA 2.445 57.371 54.840 0.142 0.000 0.763 500 L CB -2.550 39.580 42.059 0.118 0.000 0.890 500 L HN 0.138 nan 8.230 nan 0.000 0.434 501 P HA -0.177 nan 4.420 nan 0.000 0.217 501 P C 1.820 179.191 177.300 0.119 0.000 1.148 501 P CA 1.265 64.435 63.100 0.117 0.000 0.834 501 P CB 0.078 31.853 31.700 0.125 0.000 0.783 502 I N -1.950 118.711 120.570 0.152 0.000 2.429 502 I HA -0.056 4.118 4.170 0.007 0.000 0.247 502 I C 2.314 178.476 176.117 0.076 0.000 1.099 502 I CA 0.677 62.049 61.300 0.120 0.000 1.422 502 I CB -1.468 36.613 38.000 0.135 0.000 1.112 502 I HN -0.093 nan 8.210 nan 0.000 0.430 503 I N 0.972 121.593 120.570 0.085 0.000 2.194 503 I HA -0.306 3.868 4.170 0.007 0.000 0.246 503 I C 2.529 178.688 176.117 0.070 0.000 1.093 503 I CA 1.365 62.715 61.300 0.084 0.000 1.355 503 I CB -0.373 37.694 38.000 0.111 0.000 1.046 503 I HN 0.252 nan 8.210 nan 0.000 0.413 504 Q N -0.123 119.715 119.800 0.062 0.000 2.364 504 Q HA -0.201 4.143 4.340 0.007 0.000 0.207 504 Q C 1.878 177.888 176.000 0.017 0.000 0.970 504 Q CA 1.054 56.879 55.803 0.036 0.000 0.888 504 Q CB -0.213 28.548 28.738 0.038 0.000 0.951 504 Q HN 0.454 nan 8.270 nan 0.000 0.469 505 E N 0.213 120.425 120.200 0.020 0.000 2.474 505 E HA -0.015 4.339 4.350 0.007 0.000 0.194 505 E C 0.369 176.949 176.600 -0.034 0.000 1.041 505 E CA 0.145 56.543 56.400 -0.003 0.000 0.874 505 E CB 0.293 29.998 29.700 0.009 0.000 0.914 505 E HN 0.382 nan 8.360 nan 0.000 0.498 506 T N -2.112 112.429 114.554 -0.022 0.000 2.849 506 T HA 0.118 4.472 4.350 0.007 0.000 0.276 506 T C 0.669 175.293 174.700 -0.125 0.000 0.971 506 T CA -0.514 61.555 62.100 -0.052 0.000 0.949 506 T CB 0.880 69.778 68.868 0.050 0.000 1.093 506 T HN -0.083 nan 8.240 nan 0.000 0.545 507 D N -0.534 119.694 120.400 -0.287 0.000 2.336 507 D HA 0.013 4.658 4.640 0.007 0.000 0.229 507 D C -0.239 175.678 176.300 -0.638 0.000 1.061 507 D CA 0.522 54.230 54.000 -0.487 0.000 0.875 507 D CB -0.125 40.290 40.800 -0.642 0.000 0.904 507 D HN 0.626 nan 8.370 nan 0.000 0.525 508 Y N 1.488 121.788 120.300 0.001 0.000 2.634 508 Y HA 0.112 4.666 4.550 0.007 0.000 0.292 508 Y C 0.923 176.836 175.900 0.022 0.000 0.996 508 Y CA -1.120 56.991 58.100 0.019 0.000 1.165 508 Y CB 0.217 38.697 38.460 0.033 0.000 1.194 508 Y HN -0.194 nan 8.280 nan 0.000 0.585 509 K N 1.308 121.755 120.400 0.077 0.000 2.188 509 K HA 0.195 4.519 4.320 0.007 0.000 0.246 509 K C 0.400 177.029 176.600 0.049 0.000 1.026 509 K CA -0.353 55.970 56.287 0.059 0.000 0.871 509 K CB 1.094 33.600 32.500 0.011 0.000 1.042 509 K HN 0.530 nan 8.250 nan 0.000 0.509 510 I N -1.644 118.933 120.570 0.013 0.000 2.612 510 I HA 0.141 4.315 4.170 0.007 0.000 0.295 510 I C 0.330 176.373 176.117 -0.124 0.000 1.011 510 I CA -0.657 60.599 61.300 -0.073 0.000 1.326 510 I CB 1.446 39.334 38.000 -0.187 0.000 1.427 510 I HN 0.749 nan 8.210 nan 0.000 0.537 511 S N 3.706 119.307 115.700 -0.165 0.000 2.600 511 S HA 0.203 4.677 4.470 0.007 0.000 0.265 511 S C 0.792 175.289 174.600 -0.171 0.000 1.325 511 S CA -0.555 57.563 58.200 -0.137 0.000 1.002 511 S CB 0.870 64.002 63.200 -0.114 0.000 0.921 511 S HN 0.811 nan 8.310 nan 0.000 0.554 512 N N 1.829 120.457 118.700 -0.121 0.000 2.149 512 N HA -0.157 4.587 4.740 0.007 0.000 0.188 512 N C 2.050 177.473 175.510 -0.145 0.000 1.019 512 N CA 1.706 54.686 53.050 -0.115 0.000 0.857 512 N CB -0.508 37.926 38.487 -0.088 0.000 0.997 512 N HN 0.843 nan 8.380 nan 0.000 0.426 513 Q N 0.800 120.512 119.800 -0.147 0.000 2.167 513 Q HA -0.069 4.275 4.340 0.007 0.000 0.202 513 Q C 1.322 177.179 176.000 -0.237 0.000 0.970 513 Q CA 1.158 56.870 55.803 -0.152 0.000 0.855 513 Q CB -0.468 28.206 28.738 -0.107 0.000 0.911 513 Q HN 0.424 nan 8.270 nan 0.000 0.438 514 E N 0.568 120.552 120.200 -0.360 0.000 2.072 514 E HA -0.103 4.251 4.350 0.007 0.000 0.190 514 E C 1.968 178.169 176.600 -0.665 0.000 0.982 514 E CA 0.600 56.575 56.400 -0.708 0.000 0.803 514 E CB 0.006 29.013 29.700 -1.155 0.000 0.755 514 E HN 0.109 nan 8.360 nan 0.000 0.453 515 L N 1.717 122.685 121.223 -0.426 0.000 2.042 515 L HA -0.204 4.140 4.340 0.007 0.000 0.210 515 L C 1.395 178.206 176.870 -0.099 0.000 1.076 515 L CA 1.867 56.575 54.840 -0.220 0.000 0.749 515 L CB -0.646 41.363 42.059 -0.083 0.000 0.893 515 L HN 0.084 nan 8.230 nan 0.000 0.432 516 D N -1.233 119.094 120.400 -0.121 0.000 2.182 516 D HA -0.265 4.379 4.640 0.007 0.000 0.201 516 D C 2.233 178.430 176.300 -0.173 0.000 0.986 516 D CA 1.329 55.279 54.000 -0.084 0.000 0.847 516 D CB -0.164 40.563 40.800 -0.121 0.000 0.942 516 D HN 0.370 nan 8.370 nan 0.000 0.467 517 M N 0.257 119.657 119.600 -0.333 0.000 2.159 517 M HA -0.154 4.330 4.480 0.007 0.000 0.263 517 M C 1.899 177.575 176.300 -1.041 0.000 1.063 517 M CA 1.007 55.958 55.300 -0.582 0.000 1.110 517 M CB 0.151 32.430 32.600 -0.535 0.000 1.374 517 M HN -0.157 nan 8.290 nan 0.000 0.411 518 V N -0.325 119.115 119.914 -0.790 0.000 2.295 518 V HA -0.300 3.824 4.120 0.007 0.000 0.246 518 V C 1.939 177.801 176.094 -0.387 0.000 1.049 518 V CA 1.898 63.814 62.300 -0.640 0.000 1.024 518 V CB -1.015 30.611 31.823 -0.327 0.000 0.648 518 V HN 0.479 nan 8.190 nan 0.000 0.447 519 Y N 0.466 120.595 120.300 -0.285 0.000 2.274 519 Y HA -0.212 4.341 4.550 0.005 0.000 0.290 519 Y C 2.549 178.345 175.900 -0.172 0.000 1.145 519 Y CA 1.981 59.956 58.100 -0.207 0.000 1.203 519 Y CB -0.267 38.087 38.460 -0.175 0.000 0.984 519 Y HN 0.170 nan 8.280 nan 0.000 0.533 520 K N -0.505 119.847 120.400 -0.081 0.000 2.057 520 K HA -0.200 4.124 4.320 0.007 0.000 0.207 520 K C 1.732 178.374 176.600 0.070 0.000 1.049 520 K CA 1.729 57.992 56.287 -0.040 0.000 0.931 520 K CB -0.381 32.055 32.500 -0.107 0.000 0.714 520 K HN 0.277 nan 8.250 nan 0.000 0.440 521 W N 1.482 122.693 121.300 -0.147 0.000 2.355 521 W HA -0.101 4.563 4.660 0.006 0.000 0.309 521 W C 2.052 178.577 176.519 0.010 0.000 1.206 521 W CA 0.398 57.579 57.345 -0.273 0.000 1.284 521 W CB -0.999 28.117 29.460 -0.573 0.000 1.145 521 W HN 0.061 nan 8.180 nan 0.000 0.502 522 I N 0.660 121.344 120.570 0.189 0.000 2.091 522 I HA -0.389 3.785 4.170 0.007 0.000 0.239 522 I C 2.250 178.383 176.117 0.027 0.000 1.061 522 I CA 1.692 62.954 61.300 -0.063 0.000 1.317 522 I CB -0.768 36.885 38.000 -0.579 0.000 1.031 522 I HN -0.016 nan 8.210 nan 0.000 0.401 523 N N 0.388 119.100 118.700 0.021 0.000 2.080 523 N HA -0.226 4.518 4.740 0.007 0.000 0.189 523 N C 1.827 177.403 175.510 0.110 0.000 1.036 523 N CA 1.332 54.413 53.050 0.053 0.000 0.846 523 N CB -0.429 38.082 38.487 0.040 0.000 1.015 523 N HN 0.464 nan 8.380 nan 0.000 0.423 524 Q N 0.184 120.066 119.800 0.137 0.000 2.137 524 Q HA 0.079 4.423 4.340 0.007 0.000 0.198 524 Q C 1.403 177.578 176.000 0.292 0.000 0.960 524 Q CA 0.997 56.912 55.803 0.188 0.000 0.847 524 Q CB 0.242 29.091 28.738 0.185 0.000 0.915 524 Q HN 0.171 nan 8.270 nan 0.000 0.448 525 S N -0.749 115.068 115.700 0.195 0.000 2.452 525 S HA 0.100 4.575 4.470 0.007 0.000 0.225 525 S C 1.268 175.754 174.600 -0.190 0.000 1.057 525 S CA 0.225 58.428 58.200 0.005 0.000 0.949 525 S CB -0.037 63.085 63.200 -0.130 0.000 0.836 525 S HN 0.292 nan 8.310 nan 0.000 0.518 526 F N 1.825 121.877 119.950 0.169 0.000 2.148 526 F HA 0.271 4.801 4.527 0.006 0.000 0.285 526 F C 2.039 177.928 175.800 0.147 0.000 1.092 526 F CA 0.461 58.567 58.000 0.177 0.000 1.218 526 F CB -0.836 38.388 39.000 0.374 0.000 1.059 526 F HN 0.033 nan 8.300 nan 0.000 0.490 527 L N 0.285 121.710 121.223 0.336 0.000 2.021 527 L HA -0.210 4.134 4.340 0.007 0.000 0.215 527 L C -0.549 176.392 176.870 0.118 0.000 1.074 527 L CA 1.578 56.534 54.840 0.194 0.000 0.760 527 L CB -2.154 39.974 42.059 0.115 0.000 0.889 527 L HN 0.105 nan 8.230 nan 0.000 0.433 528 P HA -0.140 nan 4.420 nan 0.000 0.226 528 P C 1.452 178.823 177.300 0.119 0.000 1.146 528 P CA 1.296 64.485 63.100 0.149 0.000 0.773 528 P CB 0.055 31.916 31.700 0.269 0.000 0.772 529 L N -1.996 119.269 121.223 0.071 0.000 2.640 529 L HA 0.212 4.556 4.340 0.007 0.000 0.230 529 L C 0.816 177.618 176.870 -0.113 0.000 1.123 529 L CA -0.085 54.738 54.840 -0.029 0.000 0.900 529 L CB 0.087 42.102 42.059 -0.073 0.000 1.146 529 L HN -0.148 nan 8.230 nan 0.000 0.484 530 I N 0.757 121.279 120.570 -0.080 0.000 2.306 530 I HA 0.216 4.390 4.170 0.007 0.000 0.288 530 I C -0.688 175.293 176.117 -0.227 0.000 1.036 530 I CA -0.255 60.960 61.300 -0.141 0.000 1.221 530 I CB 1.663 39.633 38.000 -0.051 0.000 1.385 530 I HN -0.235 nan 8.210 nan 0.000 0.472 531 V N 7.166 126.872 119.914 -0.347 0.000 2.540 531 V HA 0.347 4.471 4.120 0.007 0.000 0.302 531 V C 0.262 176.171 176.094 -0.309 0.000 1.035 531 V CA -0.611 61.452 62.300 -0.395 0.000 0.873 531 V CB 1.430 32.970 31.823 -0.472 0.000 0.992 531 V HN 0.819 nan 8.190 nan 0.000 0.428 532 K N 5.054 125.317 120.400 -0.229 0.000 3.071 532 K HA -0.208 4.116 4.320 0.007 0.000 0.262 532 K C 0.924 177.534 176.600 0.016 0.000 0.977 532 K CA 0.878 57.130 56.287 -0.059 0.000 0.721 532 K CB -1.436 31.100 32.500 0.060 0.000 1.293 532 K HN 1.784 nan 8.250 nan 0.000 0.475 533 G N -0.097 108.679 108.800 -0.039 0.000 2.159 533 G HA2 -0.355 3.609 3.960 0.007 0.000 0.256 533 G HA3 -0.355 3.609 3.960 0.007 0.000 0.256 533 G C -0.269 174.560 174.900 -0.118 0.000 0.977 533 G CA 0.757 45.880 45.100 0.038 0.000 0.652 533 G HN 0.677 nan 8.290 nan 0.000 0.531 534 E N -0.529 119.467 120.200 -0.340 0.000 2.293 534 E HA 0.677 5.031 4.350 0.007 0.000 0.270 534 E C -0.436 175.953 176.600 -0.352 0.000 0.879 534 E CA -1.325 54.772 56.400 -0.505 0.000 0.756 534 E CB 1.731 30.907 29.700 -0.874 0.000 1.208 534 E HN 0.209 nan 8.360 nan 0.000 0.428 535 L N 3.884 124.952 121.223 -0.259 0.000 2.361 535 L HA 0.258 4.602 4.340 0.007 0.000 0.278 535 L C 0.148 176.893 176.870 -0.209 0.000 1.113 535 L CA -0.431 54.295 54.840 -0.189 0.000 0.849 535 L CB 0.465 42.454 42.059 -0.117 0.000 1.155 535 L HN 0.765 nan 8.230 nan 0.000 0.452 536 M N 4.341 123.781 119.600 -0.265 0.000 2.286 536 M HA -0.128 4.356 4.480 0.007 0.000 0.365 536 M C 1.069 177.234 176.300 -0.224 0.000 1.443 536 M CA 0.211 55.332 55.300 -0.299 0.000 0.951 536 M CB 0.294 32.702 32.600 -0.319 0.000 1.961 536 M HN 0.573 nan 8.290 nan 0.000 0.468 537 D N 3.252 123.530 120.400 -0.204 0.000 2.123 537 D HA -0.174 4.470 4.640 0.007 0.000 0.196 537 D C 1.671 177.902 176.300 -0.115 0.000 0.992 537 D CA 1.659 55.630 54.000 -0.048 0.000 0.833 537 D CB -0.169 40.800 40.800 0.282 0.000 0.954 537 D HN 0.725 nan 8.370 nan 0.000 0.455 538 M N 0.376 119.794 119.600 -0.303 0.000 2.617 538 M HA -0.089 4.395 4.480 0.007 0.000 0.258 538 M C 1.316 177.529 176.300 -0.145 0.000 1.067 538 M CA 1.210 56.414 55.300 -0.160 0.000 1.057 538 M CB -0.820 31.644 32.600 -0.226 0.000 1.397 538 M HN -0.044 nan 8.290 nan 0.000 0.499 539 S N -1.225 114.381 115.700 -0.158 0.000 2.650 539 S HA 0.345 4.819 4.470 0.007 0.000 0.240 539 S C 1.223 175.784 174.600 -0.065 0.000 1.007 539 S CA -0.822 57.296 58.200 -0.136 0.000 0.984 539 S CB -0.046 63.057 63.200 -0.163 0.000 0.910 539 S HN 0.666 nan 8.310 nan 0.000 0.509 540 R N 1.052 121.511 120.500 -0.069 0.000 2.437 540 R HA 0.372 4.716 4.340 0.007 0.000 0.257 540 R C 1.525 177.852 176.300 0.046 0.000 0.927 540 R CA 0.231 56.345 56.100 0.022 0.000 1.078 540 R CB 0.131 30.422 30.300 -0.016 0.000 1.161 540 R HN 0.468 nan 8.270 nan 0.000 0.529 541 G N 3.218 111.852 108.800 -0.277 0.000 2.614 541 G HA2 -0.446 3.518 3.960 0.007 0.000 0.303 541 G HA3 -0.446 3.518 3.960 0.007 0.000 0.303 541 G C 0.672 175.509 174.900 -0.105 0.000 1.270 541 G CA 0.772 45.605 45.100 -0.444 0.000 0.988 541 G HN 0.519 nan 8.290 nan 0.000 0.551 542 R N 0.078 120.620 120.500 0.069 0.000 2.339 542 R HA 0.252 4.597 4.340 0.007 0.000 0.199 542 R C 2.155 178.439 176.300 -0.027 0.000 1.018 542 R CA 1.714 57.825 56.100 0.019 0.000 1.036 542 R CB -0.267 30.091 30.300 0.098 0.000 0.899 542 R HN 0.273 nan 8.270 nan 0.000 0.473 543 S N 1.508 117.207 115.700 -0.001 0.000 2.481 543 S HA 0.012 4.487 4.470 0.007 0.000 0.231 543 S C 1.658 176.211 174.600 -0.079 0.000 0.996 543 S CA 0.786 58.957 58.200 -0.049 0.000 0.942 543 S CB -0.189 62.979 63.200 -0.053 0.000 0.768 543 S HN 0.566 nan 8.310 nan 0.000 0.520 544 I N 0.651 121.112 120.570 -0.183 0.000 3.176 544 I HA 0.018 4.192 4.170 0.007 0.000 0.275 544 I C 1.757 177.692 176.117 -0.303 0.000 1.298 544 I CA 0.870 61.975 61.300 -0.326 0.000 1.445 544 I CB -0.378 37.152 38.000 -0.784 0.000 1.075 544 I HN 0.173 nan 8.210 nan 0.000 0.482 545 S N 0.562 116.182 115.700 -0.134 0.000 2.517 545 S HA 0.224 4.698 4.470 0.007 0.000 0.214 545 S C 0.965 175.764 174.600 0.331 0.000 0.991 545 S CA -0.583 57.674 58.200 0.095 0.000 0.906 545 S CB -0.172 62.998 63.200 -0.050 0.000 0.789 545 S HN 0.431 nan 8.310 nan 0.000 0.513 546 R N 2.195 122.766 120.500 0.117 0.000 2.248 546 R HA 0.271 4.615 4.340 0.007 0.000 0.337 546 R C 0.670 176.857 176.300 -0.189 0.000 1.085 546 R CA -0.146 55.946 56.100 -0.012 0.000 0.934 546 R CB 0.505 30.768 30.300 -0.062 0.000 1.034 546 R HN 0.471 nan 8.270 nan 0.000 0.465 547 E N 2.932 122.747 120.200 -0.642 0.000 2.284 547 E HA -0.244 4.110 4.350 0.007 0.000 0.200 547 E C 1.129 177.408 176.600 -0.535 0.000 1.008 547 E CA 1.588 57.218 56.400 -1.283 0.000 0.829 547 E CB 0.209 28.788 29.700 -1.868 0.000 0.744 547 E HN 0.739 nan 8.360 nan 0.000 0.491 548 A N 0.126 122.761 122.820 -0.309 0.000 2.178 548 A HA 0.321 4.645 4.320 0.007 0.000 0.211 548 A C 1.272 178.798 177.584 -0.097 0.000 1.157 548 A CA 0.620 52.557 52.037 -0.166 0.000 0.780 548 A CB 0.292 19.211 19.000 -0.135 0.000 0.828 548 A HN 0.209 nan 8.150 nan 0.000 0.476 549 A N 1.262 124.025 122.820 -0.095 0.000 2.937 549 A HA 0.569 4.893 4.320 0.007 0.000 0.338 549 A C 0.610 178.191 177.584 -0.004 0.000 1.273 549 A CA 0.087 52.089 52.037 -0.059 0.000 0.937 549 A CB -0.600 18.355 19.000 -0.076 0.000 1.133 549 A HN 0.553 nan 8.150 nan 0.000 0.491 550 S N 0.666 116.377 115.700 0.019 0.000 2.634 550 S HA 0.303 4.777 4.470 0.007 0.000 0.261 550 S C 1.439 176.064 174.600 0.041 0.000 1.271 550 S CA 0.139 58.406 58.200 0.111 0.000 0.985 550 S CB 0.834 64.135 63.200 0.168 0.000 0.968 550 S HN 1.081 nan 8.310 nan 0.000 0.568 551 S N -0.102 115.655 115.700 0.094 0.000 2.383 551 S HA -0.177 4.297 4.470 0.007 0.000 0.227 551 S C 1.647 176.140 174.600 -0.179 0.000 1.026 551 S CA 1.005 59.185 58.200 -0.033 0.000 0.981 551 S CB -1.100 62.093 63.200 -0.012 0.000 0.818 551 S HN 0.801 nan 8.310 nan 0.000 0.472 552 H N 1.786 120.768 119.070 -0.147 0.000 2.389 552 H HA 0.142 4.701 4.556 0.006 0.000 0.299 552 H C 2.646 177.537 175.328 -0.727 0.000 1.081 552 H CA 1.412 57.234 56.048 -0.376 0.000 1.345 552 H CB -0.549 29.003 29.762 -0.350 0.000 1.393 552 H HN 0.579 nan 8.280 nan 0.000 0.520 553 A N 1.208 123.660 122.820 -0.613 0.000 1.898 553 A HA -0.055 4.269 4.320 0.007 0.000 0.216 553 A C 2.706 180.150 177.584 -0.234 0.000 1.181 553 A CA 1.500 53.261 52.037 -0.459 0.000 0.620 553 A CB -0.758 18.129 19.000 -0.188 0.000 0.819 553 A HN 0.418 nan 8.150 nan 0.000 0.442 554 A N 0.028 122.736 122.820 -0.186 0.000 1.908 554 A HA 0.098 4.422 4.320 0.007 0.000 0.218 554 A C 2.508 179.989 177.584 -0.172 0.000 1.181 554 A CA 2.260 54.206 52.037 -0.151 0.000 0.627 554 A CB -1.064 17.869 19.000 -0.112 0.000 0.818 554 A HN 1.098 nan 8.150 nan 0.000 0.445 555 A N -0.614 122.097 122.820 -0.181 0.000 1.933 555 A HA -0.020 4.304 4.320 0.007 0.000 0.218 555 A C 2.169 179.635 177.584 -0.196 0.000 1.175 555 A CA 1.832 53.766 52.037 -0.170 0.000 0.628 555 A CB -0.889 18.019 19.000 -0.155 0.000 0.814 555 A HN 0.462 nan 8.150 nan 0.000 0.444 556 V N -0.028 119.781 119.914 -0.176 0.000 2.626 556 V HA -0.217 3.907 4.120 0.007 0.000 0.252 556 V C 2.376 178.352 176.094 -0.198 0.000 1.067 556 V CA 1.936 64.148 62.300 -0.146 0.000 1.081 556 V CB -0.694 31.107 31.823 -0.037 0.000 0.686 556 V HN 0.673 nan 8.190 nan 0.000 0.468 557 E N 0.441 120.516 120.200 -0.209 0.000 2.085 557 E HA -0.199 4.155 4.350 0.007 0.000 0.194 557 E C 2.132 178.525 176.600 -0.344 0.000 0.994 557 E CA 2.062 58.325 56.400 -0.227 0.000 0.801 557 E CB 0.082 29.664 29.700 -0.197 0.000 0.743 557 E HN 0.642 nan 8.360 nan 0.000 0.453 558 V N -1.367 118.249 119.914 -0.496 0.000 2.599 558 V HA -0.110 4.015 4.120 0.007 0.000 0.245 558 V C 2.313 177.691 176.094 -1.194 0.000 1.046 558 V CA 0.438 62.197 62.300 -0.902 0.000 1.065 558 V CB -0.537 30.600 31.823 -1.143 0.000 0.703 558 V HN 0.094 nan 8.190 nan 0.000 0.464 559 L N 1.897 122.640 121.223 -0.800 0.000 2.081 559 L HA -0.159 4.186 4.340 0.007 0.000 0.212 559 L C 2.960 179.656 176.870 -0.289 0.000 1.080 559 L CA 2.533 57.086 54.840 -0.479 0.000 0.754 559 L CB -1.152 40.778 42.059 -0.215 0.000 0.893 559 L HN 0.590 nan 8.230 nan 0.000 0.433 560 R N -1.319 119.014 120.500 -0.278 0.000 2.115 560 R HA -0.030 4.314 4.340 0.007 0.000 0.226 560 R C 2.142 178.358 176.300 -0.139 0.000 1.100 560 R CA 1.328 57.326 56.100 -0.170 0.000 0.980 560 R CB -1.162 29.045 30.300 -0.154 0.000 0.875 560 R HN 0.293 nan 8.270 nan 0.000 0.445 561 G N 1.050 109.717 108.800 -0.222 0.000 2.402 561 G HA2 -0.179 3.785 3.960 0.007 0.000 0.216 561 G HA3 -0.179 3.785 3.960 0.007 0.000 0.216 561 G C 1.061 175.985 174.900 0.041 0.000 1.162 561 G CA 0.257 45.285 45.100 -0.120 0.000 0.777 561 G HN 0.181 nan 8.290 nan 0.000 0.539 562 F N 0.502 120.377 119.950 -0.126 0.000 2.154 562 F HA -0.027 4.503 4.527 0.005 0.000 0.301 562 F C 2.461 178.216 175.800 -0.074 0.000 1.087 562 F CA 0.160 58.090 58.000 -0.116 0.000 1.274 562 F CB -1.199 37.739 39.000 -0.104 0.000 1.009 562 F HN 0.080 nan 8.300 nan 0.000 0.485 563 L N 0.608 121.909 121.223 0.130 0.000 2.046 563 L HA -0.154 4.190 4.340 0.007 0.000 0.208 563 L C 2.449 179.351 176.870 0.054 0.000 1.077 563 L CA 1.619 56.500 54.840 0.069 0.000 0.747 563 L CB -0.709 41.363 42.059 0.020 0.000 0.896 563 L HN 0.012 nan 8.230 nan 0.000 0.432 564 R N -1.135 119.389 120.500 0.041 0.000 2.091 564 R HA -0.192 4.152 4.340 0.007 0.000 0.238 564 R C 2.136 178.467 176.300 0.050 0.000 1.136 564 R CA 1.568 57.693 56.100 0.042 0.000 0.959 564 R CB -0.829 29.492 30.300 0.034 0.000 0.856 564 R HN 0.295 nan 8.270 nan 0.000 0.437 565 L N 0.991 122.241 121.223 0.044 0.000 1.994 565 L HA -0.086 4.258 4.340 0.007 0.000 0.208 565 L C 2.348 179.249 176.870 0.052 0.000 1.071 565 L CA 2.015 56.864 54.840 0.015 0.000 0.745 565 L CB -0.794 41.214 42.059 -0.087 0.000 0.892 565 L HN 0.147 nan 8.230 nan 0.000 0.431 566 A N -0.821 122.038 122.820 0.065 0.000 2.024 566 A HA -0.249 4.075 4.320 0.007 0.000 0.220 566 A C 2.011 179.641 177.584 0.077 0.000 1.164 566 A CA 2.072 54.167 52.037 0.096 0.000 0.643 566 A CB -1.039 18.012 19.000 0.085 0.000 0.806 566 A HN 0.738 nan 8.150 nan 0.000 0.451 567 N N -1.000 117.738 118.700 0.064 0.000 2.461 567 N HA 0.105 4.849 4.740 0.007 0.000 0.188 567 N C 1.239 176.784 175.510 0.058 0.000 1.134 567 N CA 0.211 53.295 53.050 0.056 0.000 0.878 567 N CB -0.097 38.422 38.487 0.053 0.000 0.972 567 N HN 0.495 nan 8.380 nan 0.000 0.456 568 M N 0.014 119.653 119.600 0.065 0.000 2.595 568 M HA 0.025 4.509 4.480 0.007 0.000 0.248 568 M C 0.321 176.652 176.300 0.053 0.000 1.119 568 M CA 0.385 55.722 55.300 0.061 0.000 1.079 568 M CB 0.188 32.828 32.600 0.067 0.000 1.472 568 M HN 0.047 nan 8.290 nan 0.000 0.501 569 S N -1.658 114.073 115.700 0.052 0.000 2.627 569 S HA 0.231 4.705 4.470 0.007 0.000 0.268 569 S C -0.718 173.899 174.600 0.028 0.000 1.130 569 S CA -0.963 57.258 58.200 0.035 0.000 0.819 569 S CB 0.577 63.793 63.200 0.028 0.000 1.100 569 S HN 0.261 nan 8.310 nan 0.000 0.465 570 N N 0.485 119.193 118.700 0.014 0.000 2.280 570 N HA 0.168 4.913 4.740 0.007 0.000 0.192 570 N C -0.287 175.219 175.510 -0.007 0.000 1.109 570 N CA -0.223 52.831 53.050 0.007 0.000 0.855 570 N CB 0.178 38.668 38.487 0.005 0.000 0.974 570 N HN 0.562 nan 8.380 nan 0.000 0.482 571 E N 1.216 121.407 120.200 -0.016 0.000 2.459 571 E HA -0.149 4.205 4.350 0.007 0.000 0.264 571 E C 0.837 177.407 176.600 -0.051 0.000 1.055 571 E CA 0.165 56.539 56.400 -0.042 0.000 0.957 571 E CB 0.700 30.360 29.700 -0.066 0.000 0.952 571 E HN 0.282 nan 8.360 nan 0.000 0.448 572 E N 3.518 123.680 120.200 -0.063 0.000 2.055 572 E HA -0.314 4.040 4.350 0.007 0.000 0.209 572 E C 1.996 178.551 176.600 -0.075 0.000 1.036 572 E CA 2.301 58.664 56.400 -0.061 0.000 0.849 572 E CB -0.102 29.559 29.700 -0.066 0.000 0.767 572 E HN 0.624 nan 8.360 nan 0.000 0.461 573 R N 0.406 120.823 120.500 -0.138 0.000 2.117 573 R HA -0.131 4.213 4.340 0.007 0.000 0.243 573 R C 2.085 178.348 176.300 -0.062 0.000 1.143 573 R CA 1.923 57.917 56.100 -0.176 0.000 0.968 573 R CB -0.770 29.261 30.300 -0.447 0.000 0.863 573 R HN 0.220 nan 8.270 nan 0.000 0.444 574 N N 0.808 119.491 118.700 -0.030 0.000 2.142 574 N HA -0.079 4.665 4.740 0.007 0.000 0.186 574 N C 1.970 177.508 175.510 0.046 0.000 1.023 574 N CA 1.492 54.585 53.050 0.071 0.000 0.852 574 N CB -0.071 38.457 38.487 0.068 0.000 0.998 574 N HN 0.263 nan 8.380 nan 0.000 0.424 575 L N 0.709 121.940 121.223 0.014 0.000 2.056 575 L HA -0.158 4.186 4.340 0.007 0.000 0.207 575 L C 2.201 179.079 176.870 0.014 0.000 1.078 575 L CA 1.126 55.974 54.840 0.013 0.000 0.749 575 L CB -0.466 41.593 42.059 0.000 0.000 0.901 575 L HN 0.086 nan 8.230 nan 0.000 0.433 576 D N 0.238 120.641 120.400 0.005 0.000 2.117 576 D HA -0.222 4.422 4.640 0.007 0.000 0.197 576 D C 2.087 178.400 176.300 0.021 0.000 0.987 576 D CA 0.920 54.923 54.000 0.006 0.000 0.829 576 D CB 0.070 40.864 40.800 -0.010 0.000 0.961 576 D HN 0.069 nan 8.370 nan 0.000 0.460 577 L N 0.836 122.082 121.223 0.040 0.000 2.046 577 L HA -0.087 4.257 4.340 0.007 0.000 0.208 577 L C 2.100 179.001 176.870 0.051 0.000 1.077 577 L CA 1.834 56.705 54.840 0.052 0.000 0.747 577 L CB -0.722 41.391 42.059 0.090 0.000 0.896 577 L HN -0.062 nan 8.230 nan 0.000 0.432 578 K N -1.103 119.326 120.400 0.049 0.000 2.044 578 K HA -0.211 4.113 4.320 0.007 0.000 0.210 578 K C 2.379 178.999 176.600 0.033 0.000 1.049 578 K CA 1.804 58.116 56.287 0.042 0.000 0.927 578 K CB -0.415 32.106 32.500 0.035 0.000 0.713 578 K HN 0.435 nan 8.250 nan 0.000 0.443 579 S N -0.325 115.391 115.700 0.027 0.000 2.382 579 S HA -0.134 4.340 4.470 0.007 0.000 0.228 579 S C 1.812 176.426 174.600 0.022 0.000 1.027 579 S CA 1.914 60.127 58.200 0.021 0.000 0.991 579 S CB -0.333 62.877 63.200 0.016 0.000 0.823 579 S HN 0.317 nan 8.310 nan 0.000 0.469 580 T N 2.408 116.978 114.554 0.026 0.000 2.777 580 T HA 0.066 4.420 4.350 0.007 0.000 0.266 580 T C 1.716 176.439 174.700 0.037 0.000 1.040 580 T CA 1.520 63.636 62.100 0.027 0.000 1.141 580 T CB -0.336 68.549 68.868 0.028 0.000 0.868 580 T HN 0.416 nan 8.240 nan 0.000 0.444 581 I N 0.858 121.459 120.570 0.053 0.000 2.163 581 I HA -0.164 4.010 4.170 0.007 0.000 0.240 581 I C 2.616 178.749 176.117 0.026 0.000 1.081 581 I CA 1.307 62.640 61.300 0.056 0.000 1.353 581 I CB -0.354 37.687 38.000 0.069 0.000 1.054 581 I HN 0.175 nan 8.210 nan 0.000 0.407 582 K N 0.717 121.129 120.400 0.021 0.000 2.074 582 K HA -0.210 4.114 4.320 0.007 0.000 0.209 582 K C 2.023 178.631 176.600 0.014 0.000 1.048 582 K CA 2.120 58.416 56.287 0.013 0.000 0.926 582 K CB -0.119 32.391 32.500 0.016 0.000 0.713 582 K HN 0.244 nan 8.250 nan 0.000 0.444 583 T N 1.157 115.720 114.554 0.015 0.000 2.746 583 T HA -0.096 4.258 4.350 0.007 0.000 0.267 583 T C 1.801 176.506 174.700 0.009 0.000 1.039 583 T CA 1.612 63.719 62.100 0.012 0.000 1.142 583 T CB -0.148 68.725 68.868 0.009 0.000 0.866 583 T HN 0.202 nan 8.240 nan 0.000 0.444 584 I N 0.857 121.431 120.570 0.006 0.000 2.202 584 I HA -0.118 4.056 4.170 0.007 0.000 0.242 584 I C 2.222 178.352 176.117 0.022 0.000 1.091 584 I CA 0.804 62.105 61.300 0.002 0.000 1.368 584 I CB -0.423 37.576 38.000 -0.001 0.000 1.058 584 I HN 0.159 nan 8.210 nan 0.000 0.410 585 I N 1.120 121.700 120.570 0.016 0.000 2.127 585 I HA -0.292 3.882 4.170 0.007 0.000 0.241 585 I C 2.876 179.012 176.117 0.032 0.000 1.075 585 I CA 2.453 63.763 61.300 0.017 0.000 1.334 585 I CB -1.968 36.019 38.000 -0.022 0.000 1.040 585 I HN 0.401 nan 8.210 nan 0.000 0.405 586 T N -1.597 112.973 114.554 0.026 0.000 3.007 586 T HA -0.099 4.256 4.350 0.007 0.000 0.270 586 T C 1.915 176.641 174.700 0.043 0.000 1.107 586 T CA 1.333 63.453 62.100 0.032 0.000 1.118 586 T CB -0.489 68.394 68.868 0.027 0.000 0.889 586 T HN 0.415 nan 8.240 nan 0.000 0.506 587 S N 0.989 116.717 115.700 0.046 0.000 2.470 587 S HA 0.053 4.527 4.470 0.007 0.000 0.225 587 S C 1.049 175.703 174.600 0.090 0.000 1.006 587 S CA -0.228 58.006 58.200 0.056 0.000 0.934 587 S CB -0.748 62.474 63.200 0.036 0.000 0.778 587 S HN 0.444 nan 8.310 nan 0.000 0.517 588 N N 2.483 121.248 118.700 0.109 0.000 2.400 588 N HA 0.125 4.869 4.740 0.007 0.000 0.267 588 N C 0.014 175.596 175.510 0.121 0.000 1.208 588 N CA 0.072 53.220 53.050 0.163 0.000 0.951 588 N CB 0.669 39.277 38.487 0.202 0.000 1.227 588 N HN 0.307 nan 8.380 nan 0.000 0.488 589 K N 2.635 123.116 120.400 0.136 0.000 2.397 589 K HA 0.048 4.372 4.320 0.007 0.000 0.202 589 K C 0.587 177.268 176.600 0.135 0.000 1.022 589 K CA -0.082 56.267 56.287 0.102 0.000 1.141 589 K CB 0.176 32.733 32.500 0.095 0.000 0.857 589 K HN 0.450 nan 8.250 nan 0.000 0.514 590 F N -0.363 119.566 119.950 -0.034 0.000 2.537 590 F HA 0.225 4.755 4.527 0.005 0.000 0.275 590 F C 0.202 175.943 175.800 -0.098 0.000 0.947 590 F CA -0.459 57.483 58.000 -0.097 0.000 1.238 590 F CB 0.317 39.201 39.000 -0.194 0.000 1.071 590 F HN -0.096 nan 8.300 nan 0.000 0.749 591 Y N 2.163 122.202 120.300 -0.434 0.000 2.352 591 Y HA 0.375 4.928 4.550 0.005 0.000 0.326 591 Y C -0.326 175.453 175.900 -0.201 0.000 1.166 591 Y CA -1.116 56.724 58.100 -0.434 0.000 1.182 591 Y CB 0.558 38.877 38.460 -0.234 0.000 1.216 591 Y HN 0.066 nan 8.280 nan 0.000 0.474 592 N N 4.939 123.164 118.700 -0.791 0.000 2.589 592 N HA 0.042 4.786 4.740 0.007 0.000 0.232 592 N C 0.764 175.916 175.510 -0.598 0.000 1.015 592 N CA 0.051 52.802 53.050 -0.498 0.000 0.931 592 N CB 0.939 39.189 38.487 -0.395 0.000 1.150 592 N HN 0.749 nan 8.380 nan 0.000 0.512 593 V N 4.596 124.381 119.914 -0.215 0.000 2.311 593 V HA -0.306 3.818 4.120 0.007 0.000 0.256 593 V C 1.293 177.247 176.094 -0.234 0.000 1.077 593 V CA 2.015 64.240 62.300 -0.124 0.000 1.067 593 V CB -0.736 30.924 31.823 -0.272 0.000 0.659 593 V HN 0.631 nan 8.190 nan 0.000 0.451 594 F N 0.674 120.545 119.950 -0.132 0.000 2.546 594 F HA -0.022 4.509 4.527 0.006 0.000 0.298 594 F C 2.075 177.799 175.800 -0.126 0.000 1.120 594 F CA 1.293 59.229 58.000 -0.108 0.000 1.456 594 F CB -0.693 38.242 39.000 -0.109 0.000 1.088 594 F HN 0.295 nan 8.300 nan 0.000 0.572 595 N N -0.145 118.495 118.700 -0.100 0.000 2.309 595 N HA -0.153 4.591 4.740 0.007 0.000 0.182 595 N C 1.073 176.598 175.510 0.025 0.000 1.018 595 N CA 0.885 53.867 53.050 -0.113 0.000 0.876 595 N CB -0.299 37.977 38.487 -0.353 0.000 0.972 595 N HN 0.129 nan 8.380 nan 0.000 0.434 596 N N 0.164 118.916 118.700 0.087 0.000 2.416 596 N HA 0.203 4.948 4.740 0.007 0.000 0.267 596 N C -1.345 174.171 175.510 0.010 0.000 1.294 596 N CA -0.034 53.065 53.050 0.082 0.000 0.891 596 N CB 0.195 38.770 38.487 0.147 0.000 1.238 596 N HN 0.059 nan 8.380 nan 0.000 0.508 597 L N 1.182 122.410 121.223 0.009 0.000 2.294 597 L HA 0.422 4.766 4.340 0.007 0.000 0.283 597 L C 0.864 177.743 176.870 0.015 0.000 1.015 597 L CA -0.425 54.412 54.840 -0.006 0.000 0.831 597 L CB 1.637 43.703 42.059 0.012 0.000 1.217 597 L HN -0.143 nan 8.230 nan 0.000 0.420 598 K N 1.241 121.624 120.400 -0.027 0.000 2.358 598 K HA 0.171 4.495 4.320 0.007 0.000 0.200 598 K C 0.409 176.944 176.600 -0.108 0.000 1.030 598 K CA 0.020 56.276 56.287 -0.051 0.000 1.097 598 K CB 1.078 33.540 32.500 -0.064 0.000 0.862 598 K HN 0.621 nan 8.250 nan 0.000 0.534 599 S N -1.122 114.517 115.700 -0.101 0.000 2.671 599 S HA 0.378 4.852 4.470 0.007 0.000 0.299 599 S C 0.564 175.124 174.600 -0.067 0.000 1.116 599 S CA -0.701 57.383 58.200 -0.193 0.000 0.912 599 S CB 0.628 63.737 63.200 -0.152 0.000 1.130 599 S HN -0.013 nan 8.310 nan 0.000 0.501 600 Y N 1.346 121.666 120.300 0.033 0.000 2.314 600 Y HA 0.008 4.562 4.550 0.006 0.000 0.293 600 Y C 3.041 178.943 175.900 0.005 0.000 1.129 600 Y CA 0.926 59.040 58.100 0.025 0.000 1.201 600 Y CB -1.271 37.234 38.460 0.075 0.000 0.999 600 Y HN 0.791 nan 8.280 nan 0.000 0.541 601 S N -0.395 115.398 115.700 0.155 0.000 2.368 601 S HA -0.155 4.320 4.470 0.007 0.000 0.224 601 S C 1.487 176.123 174.600 0.060 0.000 1.029 601 S CA 1.396 59.660 58.200 0.107 0.000 0.988 601 S CB -0.377 62.885 63.200 0.104 0.000 0.838 601 S HN 0.316 nan 8.310 nan 0.000 0.462 602 D N 1.815 122.235 120.400 0.034 0.000 2.097 602 D HA 0.086 4.730 4.640 0.007 0.000 0.197 602 D C 1.887 178.216 176.300 0.048 0.000 0.984 602 D CA 0.795 54.802 54.000 0.011 0.000 0.826 602 D CB -0.413 40.373 40.800 -0.025 0.000 0.973 602 D HN 0.390 nan 8.370 nan 0.000 0.460 603 I N 1.041 121.680 120.570 0.114 0.000 2.226 603 I HA -0.263 3.911 4.170 0.007 0.000 0.245 603 I C 2.433 178.664 176.117 0.190 0.000 1.100 603 I CA 1.088 62.534 61.300 0.244 0.000 1.374 603 I CB -0.242 37.895 38.000 0.230 0.000 1.057 603 I HN -0.075 nan 8.210 nan 0.000 0.413 604 A N 0.871 123.743 122.820 0.087 0.000 1.908 604 A HA -0.260 4.064 4.320 0.007 0.000 0.218 604 A C 2.076 179.680 177.584 0.033 0.000 1.181 604 A CA 2.294 54.344 52.037 0.021 0.000 0.627 604 A CB -1.085 17.897 19.000 -0.031 0.000 0.818 604 A HN 0.520 nan 8.150 nan 0.000 0.445 605 N N -1.316 117.407 118.700 0.038 0.000 2.058 605 N HA -0.182 4.562 4.740 0.007 0.000 0.191 605 N C 1.784 177.309 175.510 0.025 0.000 1.037 605 N CA 1.579 54.644 53.050 0.026 0.000 0.848 605 N CB -0.218 38.279 38.487 0.017 0.000 1.021 605 N HN 0.370 nan 8.380 nan 0.000 0.422 606 M N 1.675 121.286 119.600 0.018 0.000 2.149 606 M HA -0.102 4.382 4.480 0.007 0.000 0.261 606 M C 1.213 177.570 176.300 0.095 0.000 1.064 606 M CA 1.475 56.760 55.300 -0.026 0.000 1.102 606 M CB -0.621 31.823 32.600 -0.261 0.000 1.369 606 M HN 0.076 nan 8.290 nan 0.000 0.408 607 N N 0.351 119.158 118.700 0.178 0.000 2.039 607 N HA -0.140 4.604 4.740 0.007 0.000 0.193 607 N C 1.551 177.098 175.510 0.062 0.000 1.044 607 N CA 1.669 54.807 53.050 0.147 0.000 0.847 607 N CB -0.452 38.079 38.487 0.074 0.000 1.030 607 N HN 0.432 nan 8.380 nan 0.000 0.422 608 K N 0.605 121.025 120.400 0.033 0.000 2.034 608 K HA -0.182 4.142 4.320 0.007 0.000 0.214 608 K C 2.031 178.643 176.600 0.020 0.000 1.051 608 K CA 1.101 57.397 56.287 0.015 0.000 0.931 608 K CB -0.558 31.947 32.500 0.008 0.000 0.715 608 K HN 0.069 nan 8.250 nan 0.000 0.446 609 L N 1.673 122.910 121.223 0.023 0.000 1.970 609 L HA -0.186 4.159 4.340 0.007 0.000 0.212 609 L C 2.079 178.962 176.870 0.022 0.000 1.071 609 L CA 1.638 56.489 54.840 0.019 0.000 0.751 609 L CB -0.468 41.598 42.059 0.012 0.000 0.889 609 L HN 0.160 nan 8.230 nan 0.000 0.432 610 L N -0.597 120.645 121.223 0.031 0.000 2.261 610 L HA -0.212 4.132 4.340 0.007 0.000 0.216 610 L C 1.326 178.215 176.870 0.032 0.000 1.114 610 L CA 1.637 56.499 54.840 0.037 0.000 0.777 610 L CB -0.625 41.475 42.059 0.068 0.000 0.910 610 L HN 0.483 nan 8.230 nan 0.000 0.440 611 N N -1.519 117.198 118.700 0.027 0.000 2.203 611 N HA -0.016 4.728 4.740 0.007 0.000 0.207 611 N C -0.112 175.403 175.510 0.009 0.000 1.130 611 N CA -0.186 52.873 53.050 0.014 0.000 0.861 611 N CB 0.426 38.918 38.487 0.008 0.000 1.005 611 N HN 0.066 nan 8.380 nan 0.000 0.507 612 D N 0.693 121.100 120.400 0.011 0.000 2.393 612 D HA 0.040 4.684 4.640 0.007 0.000 0.232 612 D C 0.997 177.302 176.300 0.009 0.000 1.192 612 D CA -0.225 53.780 54.000 0.008 0.000 0.882 612 D CB 0.712 41.519 40.800 0.011 0.000 1.038 612 D HN 0.162 nan 8.370 nan 0.000 0.499 613 S N 1.809 117.513 115.700 0.006 0.000 2.500 613 S HA -0.157 4.317 4.470 0.007 0.000 0.239 613 S C 1.729 176.333 174.600 0.006 0.000 0.989 613 S CA 0.831 59.034 58.200 0.006 0.000 0.951 613 S CB -0.201 63.001 63.200 0.004 0.000 0.759 613 S HN 0.427 nan 8.310 nan 0.000 0.523 614 T N 1.325 115.882 114.554 0.006 0.000 3.035 614 T HA 0.167 4.521 4.350 0.007 0.000 0.268 614 T C 0.254 174.959 174.700 0.008 0.000 1.109 614 T CA 0.452 62.556 62.100 0.006 0.000 1.119 614 T CB -0.258 68.613 68.868 0.006 0.000 0.900 614 T HN 0.269 nan 8.240 nan 0.000 0.503 615 V N 2.475 122.395 119.914 0.010 0.000 2.318 615 V HA 0.673 4.797 4.120 0.007 0.000 0.271 615 V C 0.226 176.327 176.094 0.012 0.000 1.030 615 V CA -1.148 61.159 62.300 0.012 0.000 0.844 615 V CB 0.519 32.351 31.823 0.015 0.000 1.015 615 V HN 0.339 nan 8.190 nan 0.000 0.460 616 A N 4.077 126.904 122.820 0.011 0.000 2.310 616 A HA 0.749 5.073 4.320 0.007 0.000 0.299 616 A C 0.665 178.257 177.584 0.013 0.000 1.147 616 A CA -0.277 51.767 52.037 0.012 0.000 0.818 616 A CB 0.735 19.741 19.000 0.010 0.000 1.096 616 A HN 0.858 nan 8.150 nan 0.000 0.495 617 T N 0.228 114.790 114.554 0.015 0.000 2.828 617 T HA 0.510 4.864 4.350 0.007 0.000 0.290 617 T C -0.053 174.657 174.700 0.016 0.000 1.019 617 T CA -0.508 61.601 62.100 0.016 0.000 1.031 617 T CB 0.520 69.398 68.868 0.017 0.000 1.001 617 T HN 0.766 nan 8.240 nan 0.000 0.531 618 K N 0.177 120.587 120.400 0.017 0.000 2.352 618 K HA 0.690 5.014 4.320 0.007 0.000 0.240 618 K C -3.037 173.577 176.600 0.024 0.000 1.017 618 K CA -2.109 54.189 56.287 0.018 0.000 0.851 618 K CB 0.331 32.841 32.500 0.016 0.000 1.261 618 K HN 0.368 nan 8.250 nan 0.000 0.451 619 P HA 0.205 nan 4.420 nan 0.000 0.274 619 P C -0.532 176.798 177.300 0.051 0.000 1.246 619 P CA -0.581 62.542 63.100 0.040 0.000 0.795 619 P CB 0.283 32.006 31.700 0.039 0.000 1.006 620 L N 0.162 121.432 121.223 0.079 0.000 2.426 620 L HA 0.337 4.681 4.340 0.007 0.000 0.271 620 L C 0.802 177.766 176.870 0.157 0.000 1.169 620 L CA 0.166 55.084 54.840 0.130 0.000 0.836 620 L CB -0.261 41.948 42.059 0.250 0.000 1.112 620 L HN 0.288 nan 8.230 nan 0.000 0.465 621 K N 1.228 121.732 120.400 0.173 0.000 2.426 621 K HA 0.388 4.712 4.320 0.007 0.000 0.254 621 K C -0.783 175.929 176.600 0.186 0.000 0.936 621 K CA -0.494 55.874 56.287 0.135 0.000 0.801 621 K CB 1.784 34.328 32.500 0.072 0.000 1.139 621 K HN 0.670 nan 8.250 nan 0.000 0.424 622 S N 2.250 117.992 115.700 0.070 0.000 2.560 622 S HA 0.033 4.507 4.470 0.007 0.000 0.284 622 S C -0.271 174.302 174.600 -0.046 0.000 1.327 622 S CA -0.043 58.114 58.200 -0.071 0.000 1.055 622 S CB 0.193 63.279 63.200 -0.189 0.000 0.868 622 S HN 0.726 nan 8.310 nan 0.000 0.506 623 N N 1.969 120.649 118.700 -0.034 0.000 2.371 623 N HA 0.467 5.212 4.740 0.007 0.000 0.280 623 N C -1.750 173.809 175.510 0.082 0.000 1.084 623 N CA -0.555 52.499 53.050 0.007 0.000 0.892 623 N CB 0.939 39.449 38.487 0.039 0.000 1.653 623 N HN 0.525 nan 8.380 nan 0.000 0.480 624 L N 2.308 123.561 121.223 0.050 0.000 2.406 624 L HA 0.598 4.942 4.340 0.007 0.000 0.270 624 L C -1.131 175.690 176.870 -0.082 0.000 0.982 624 L CA -0.413 54.472 54.840 0.076 0.000 0.843 624 L CB 1.563 43.615 42.059 -0.011 0.000 1.225 624 L HN 0.635 nan 8.230 nan 0.000 0.412 625 S N 1.349 116.967 115.700 -0.137 0.000 2.474 625 S HA 0.381 4.855 4.470 0.007 0.000 0.321 625 S C -0.073 174.243 174.600 -0.474 0.000 1.080 625 S CA -0.517 57.422 58.200 -0.436 0.000 1.106 625 S CB 1.334 64.111 63.200 -0.706 0.000 0.984 625 S HN 0.640 nan 8.310 nan 0.000 0.464 626 T N 1.315 115.593 114.554 -0.460 0.000 3.005 626 T HA 0.428 4.782 4.350 0.007 0.000 0.323 626 T C -0.418 174.088 174.700 -0.324 0.000 1.131 626 T CA -0.474 61.433 62.100 -0.321 0.000 0.977 626 T CB -0.767 67.925 68.868 -0.292 0.000 1.055 626 T HN 0.303 nan 8.240 nan 0.000 0.562 627 F N 3.084 122.993 119.950 -0.068 0.000 2.640 627 F HA 0.361 4.891 4.527 0.005 0.000 0.354 627 F C 1.576 177.328 175.800 -0.079 0.000 1.213 627 F CA -1.313 56.652 58.000 -0.057 0.000 1.314 627 F CB -0.488 38.485 39.000 -0.046 0.000 1.679 627 F HN 0.531 nan 8.300 nan 0.000 0.622 628 N N -0.048 118.674 118.700 0.037 0.000 2.166 628 N HA -0.173 4.571 4.740 0.007 0.000 0.186 628 N C 2.014 177.514 175.510 -0.017 0.000 1.019 628 N CA 1.148 54.201 53.050 0.005 0.000 0.856 628 N CB 0.027 38.512 38.487 -0.004 0.000 0.993 628 N HN 0.301 nan 8.380 nan 0.000 0.426 629 S N 1.036 116.705 115.700 -0.051 0.000 2.420 629 S HA -0.103 4.371 4.470 0.007 0.000 0.237 629 S C 1.701 176.103 174.600 -0.331 0.000 1.023 629 S CA 1.131 59.161 58.200 -0.283 0.000 0.991 629 S CB -0.064 62.880 63.200 -0.428 0.000 0.792 629 S HN 0.511 nan 8.310 nan 0.000 0.488 630 M N -0.982 118.530 119.600 -0.147 0.000 2.502 630 M HA 0.356 4.840 4.480 0.007 0.000 0.351 630 M C -1.062 175.215 176.300 -0.040 0.000 1.118 630 M CA 0.006 55.232 55.300 -0.124 0.000 0.952 630 M CB 0.535 33.055 32.600 -0.133 0.000 1.424 630 M HN -0.204 nan 8.290 nan 0.000 0.529 631 D N 2.439 122.834 120.400 -0.008 0.000 2.697 631 D HA -0.117 4.528 4.640 0.007 0.000 0.238 631 D C -0.723 175.589 176.300 0.019 0.000 1.152 631 D CA 0.799 54.809 54.000 0.017 0.000 0.666 631 D CB -0.391 40.433 40.800 0.041 0.000 1.037 631 D HN 0.475 nan 8.370 nan 0.000 0.423 632 R N 0.067 120.601 120.500 0.057 0.000 2.795 632 R HA 0.761 5.105 4.340 0.007 0.000 0.275 632 R C -0.231 176.145 176.300 0.126 0.000 0.981 632 R CA -0.847 55.295 56.100 0.071 0.000 0.917 632 R CB 1.985 32.322 30.300 0.062 0.000 1.202 632 R HN 0.217 nan 8.270 nan 0.000 0.469 633 L N 0.708 121.968 121.223 0.063 0.000 2.482 633 L HA 0.713 5.057 4.340 0.007 0.000 0.269 633 L C -1.208 175.709 176.870 0.078 0.000 0.967 633 L CA -0.497 54.369 54.840 0.043 0.000 0.851 633 L CB 1.817 43.858 42.059 -0.030 0.000 1.242 633 L HN 0.778 nan 8.230 nan 0.000 0.404 634 A N 4.061 126.971 122.820 0.150 0.000 2.318 634 A HA 0.698 5.022 4.320 0.007 0.000 0.324 634 A C -1.927 175.797 177.584 0.233 0.000 1.170 634 A CA -0.342 51.800 52.037 0.176 0.000 0.810 634 A CB 1.045 20.185 19.000 0.233 0.000 1.198 634 A HN 0.661 nan 8.150 nan 0.000 0.484 635 Y N 2.100 122.488 120.300 0.146 0.000 2.421 635 Y HA 0.577 5.132 4.550 0.009 0.000 0.339 635 Y C -2.109 173.886 175.900 0.158 0.000 0.996 635 Y CA -1.565 56.613 58.100 0.131 0.000 1.046 635 Y CB 1.621 40.195 38.460 0.191 0.000 1.226 635 Y HN 0.698 nan 8.280 nan 0.000 0.445 636 Y N 6.767 126.708 120.300 -0.598 0.000 2.373 636 Y HA 0.452 5.005 4.550 0.005 0.000 0.336 636 Y C -1.343 173.942 175.900 -1.024 0.000 0.979 636 Y CA -1.083 56.591 58.100 -0.709 0.000 1.080 636 Y CB 1.238 39.506 38.460 -0.319 0.000 1.190 636 Y HN 0.735 nan 8.280 nan 0.000 0.446 637 N N 4.709 122.266 118.700 -1.905 0.000 2.485 637 N HA 0.315 5.059 4.740 0.007 0.000 0.243 637 N C 0.252 174.924 175.510 -1.397 0.000 0.987 637 N CA 0.586 52.761 53.050 -1.458 0.000 0.940 637 N CB 1.862 39.445 38.487 -1.508 0.000 1.122 637 N HN 0.952 nan 8.380 nan 0.000 0.509 638 A N 4.823 127.098 122.820 -0.908 0.000 1.930 638 A HA -0.082 4.242 4.320 0.007 0.000 0.217 638 A C 2.140 179.585 177.584 -0.233 0.000 1.175 638 A CA 0.989 52.745 52.037 -0.469 0.000 0.627 638 A CB -0.139 18.820 19.000 -0.069 0.000 0.815 638 A HN 0.638 nan 8.150 nan 0.000 0.443 639 K N -0.189 120.098 120.400 -0.188 0.000 1.973 639 K HA -0.117 4.207 4.320 0.007 0.000 0.212 639 K C 1.568 178.130 176.600 -0.063 0.000 1.047 639 K CA 1.372 57.605 56.287 -0.090 0.000 0.937 639 K CB -0.191 32.263 32.500 -0.075 0.000 0.721 639 K HN 0.163 nan 8.250 nan 0.000 0.440 640 K N 1.052 121.406 120.400 -0.076 0.000 2.432 640 K HA -0.075 4.249 4.320 0.007 0.000 0.196 640 K C -0.256 176.410 176.600 0.110 0.000 1.038 640 K CA 0.253 56.594 56.287 0.090 0.000 0.986 640 K CB -0.520 32.177 32.500 0.328 0.000 0.782 640 K HN 0.274 nan 8.250 nan 0.000 0.485 641 D N 0.292 120.621 120.400 -0.118 0.000 2.956 641 D HA -0.223 4.421 4.640 0.007 0.000 0.240 641 D C -1.125 175.269 176.300 0.157 0.000 1.141 641 D CA 0.590 54.562 54.000 -0.046 0.000 0.820 641 D CB -1.350 39.516 40.800 0.110 0.000 0.988 641 D HN 0.205 nan 8.370 nan 0.000 0.417 642 F N -1.011 118.868 119.950 -0.118 0.000 2.678 642 F HA 0.771 5.303 4.527 0.009 0.000 0.308 642 F C 0.100 175.968 175.800 0.114 0.000 1.118 642 F CA -0.510 57.538 58.000 0.081 0.000 0.959 642 F CB 0.940 39.973 39.000 0.055 0.000 1.305 642 F HN 0.095 nan 8.300 nan 0.000 0.443 643 G N 0.923 110.077 108.800 0.591 0.000 2.441 643 G HA2 0.673 4.638 3.960 0.007 0.000 0.334 643 G HA3 0.673 4.638 3.960 0.007 0.000 0.334 643 G C -2.486 172.901 174.900 0.812 0.000 1.161 643 G CA -0.914 44.511 45.100 0.541 0.000 0.935 643 G HN 0.912 nan 8.290 nan 0.000 0.488 644 F N 0.653 120.908 119.950 0.508 0.000 2.588 644 F HA 0.697 5.228 4.527 0.006 0.000 0.314 644 F C -0.431 175.624 175.800 0.424 0.000 1.134 644 F CA -0.920 57.401 58.000 0.536 0.000 0.961 644 F CB 1.811 41.157 39.000 0.576 0.000 1.239 644 F HN 0.779 nan 8.300 nan 0.000 0.448 645 A N 6.322 128.983 122.820 -0.265 0.000 2.401 645 A HA 0.860 5.184 4.320 0.007 0.000 0.310 645 A C -2.130 175.130 177.584 -0.540 0.000 1.075 645 A CA -0.756 51.114 52.037 -0.280 0.000 0.746 645 A CB 1.681 20.590 19.000 -0.151 0.000 1.277 645 A HN 0.829 nan 8.150 nan 0.000 0.425 646 L N 1.353 122.361 121.223 -0.359 0.000 2.376 646 L HA 0.459 4.804 4.340 0.007 0.000 0.275 646 L C -0.268 176.513 176.870 -0.149 0.000 0.987 646 L CA -0.360 54.278 54.840 -0.338 0.000 0.828 646 L CB 2.228 44.010 42.059 -0.463 0.000 1.249 646 L HN 0.675 nan 8.230 nan 0.000 0.409 647 S N 4.853 120.526 115.700 -0.045 0.000 2.461 647 S HA 0.655 5.129 4.470 0.007 0.000 0.322 647 S C -0.273 174.354 174.600 0.045 0.000 1.063 647 S CA -0.427 57.800 58.200 0.044 0.000 1.120 647 S CB 0.201 63.504 63.200 0.171 0.000 0.968 647 S HN 0.355 nan 8.310 nan 0.000 0.467 648 L N 3.661 124.910 121.223 0.043 0.000 2.211 648 L HA 0.766 5.111 4.340 0.007 0.000 0.259 648 L C -0.307 176.696 176.870 0.223 0.000 1.031 648 L CA -1.209 53.697 54.840 0.110 0.000 0.877 648 L CB 1.577 43.643 42.059 0.012 0.000 1.457 648 L HN 0.667 nan 8.230 nan 0.000 0.466 649 H N -0.775 118.382 119.070 0.144 0.000 3.094 649 H HA 0.511 5.071 4.556 0.007 0.000 0.335 649 H C -1.882 173.543 175.328 0.163 0.000 1.254 649 H CA -0.547 55.582 56.048 0.135 0.000 1.240 649 H CB 1.507 31.361 29.762 0.154 0.000 1.936 649 H HN 0.654 nan 8.280 nan 0.000 0.536 650 S N 1.515 117.272 115.700 0.095 0.000 2.851 650 S HA 0.296 4.770 4.470 0.007 0.000 0.317 650 S C 0.807 175.492 174.600 0.142 0.000 1.144 650 S CA -0.400 57.836 58.200 0.061 0.000 0.862 650 S CB 1.925 65.159 63.200 0.057 0.000 1.259 650 S HN 0.780 nan 8.310 nan 0.000 0.564 651 K N 0.215 120.680 120.400 0.108 0.000 2.519 651 K HA 0.090 4.414 4.320 0.007 0.000 0.196 651 K C 1.577 178.226 176.600 0.083 0.000 1.041 651 K CA 0.999 57.347 56.287 0.102 0.000 0.954 651 K CB -0.266 32.281 32.500 0.079 0.000 0.774 651 K HN 0.468 nan 8.250 nan 0.000 0.480 652 R N 0.458 121.002 120.500 0.073 0.000 2.210 652 R HA 0.059 4.403 4.340 0.007 0.000 0.203 652 R C 0.110 176.431 176.300 0.035 0.000 1.010 652 R CA 1.081 57.205 56.100 0.041 0.000 1.008 652 R CB 0.397 30.705 30.300 0.013 0.000 0.923 652 R HN 0.472 nan 8.270 nan 0.000 0.469 653 T N -2.766 111.835 114.554 0.078 0.000 2.909 653 T HA 0.320 4.674 4.350 0.007 0.000 0.299 653 T C -0.466 174.302 174.700 0.113 0.000 1.073 653 T CA -0.846 61.297 62.100 0.070 0.000 0.999 653 T CB 1.701 70.603 68.868 0.056 0.000 1.098 653 T HN -0.083 nan 8.240 nan 0.000 0.477 654 L N 3.502 124.746 121.223 0.034 0.000 2.416 654 L HA 0.195 4.539 4.340 0.007 0.000 0.272 654 L C 1.592 178.420 176.870 -0.070 0.000 1.161 654 L CA -0.445 54.382 54.840 -0.023 0.000 0.845 654 L CB 0.669 42.688 42.059 -0.066 0.000 1.119 654 L HN 0.972 nan 8.230 nan 0.000 0.464 655 N N 4.045 122.612 118.700 -0.222 0.000 2.166 655 N HA -0.184 4.560 4.740 0.007 0.000 0.186 655 N C -0.214 175.316 175.510 0.033 0.000 1.019 655 N CA 1.517 54.366 53.050 -0.336 0.000 0.856 655 N CB -0.246 37.975 38.487 -0.444 0.000 0.993 655 N HN 0.631 nan 8.380 nan 0.000 0.426 656 Y N -2.595 117.641 120.300 -0.107 0.000 2.662 656 Y HA 0.509 5.063 4.550 0.007 0.000 0.334 656 Y C -1.700 174.152 175.900 -0.079 0.000 1.185 656 Y CA -1.516 56.522 58.100 -0.103 0.000 1.074 656 Y CB 0.712 39.107 38.460 -0.109 0.000 1.330 656 Y HN 0.030 nan 8.280 nan 0.000 0.458 657 E N 1.877 121.990 120.200 -0.145 0.000 2.114 657 E HA 0.618 4.972 4.350 0.007 0.000 0.266 657 E C -1.048 175.552 176.600 -0.001 0.000 0.896 657 E CA -1.022 55.275 56.400 -0.171 0.000 0.750 657 E CB 1.208 30.921 29.700 0.022 0.000 1.121 657 E HN 1.063 nan 8.360 nan 0.000 0.413 658 G N 5.662 114.400 108.800 -0.104 0.000 2.588 658 G HA2 0.520 4.484 3.960 0.007 0.000 0.312 658 G HA3 0.520 4.484 3.960 0.007 0.000 0.312 658 G C -0.664 174.257 174.900 0.035 0.000 1.257 658 G CA -0.524 44.635 45.100 0.099 0.000 0.994 658 G HN 0.558 nan 8.290 nan 0.000 0.498 659 M N 1.896 121.530 119.600 0.057 0.000 2.644 659 M HA 0.443 4.927 4.480 0.007 0.000 0.273 659 M C -0.686 175.645 176.300 0.051 0.000 1.253 659 M CA -0.542 54.787 55.300 0.050 0.000 0.852 659 M CB 1.407 34.037 32.600 0.049 0.000 1.708 659 M HN 0.539 nan 8.290 nan 0.000 0.471 660 N N 2.083 120.805 118.700 0.038 0.000 2.727 660 N HA -0.173 4.571 4.740 0.007 0.000 0.249 660 N C -0.989 174.536 175.510 0.025 0.000 1.048 660 N CA 1.057 54.122 53.050 0.026 0.000 0.714 660 N CB -1.051 37.449 38.487 0.021 0.000 0.959 660 N HN 0.890 nan 8.380 nan 0.000 0.544 661 D N -0.455 119.965 120.400 0.034 0.000 2.837 661 D HA -0.163 4.481 4.640 0.007 0.000 0.230 661 D C -0.309 176.003 176.300 0.019 0.000 1.152 661 D CA 1.509 55.528 54.000 0.031 0.000 0.736 661 D CB -0.633 40.184 40.800 0.029 0.000 1.084 661 D HN 0.656 nan 8.370 nan 0.000 0.429 662 E N 0.001 120.213 120.200 0.019 0.000 2.277 662 E HA 0.378 4.732 4.350 0.007 0.000 0.266 662 E C 0.447 177.038 176.600 -0.016 0.000 0.901 662 E CA -0.889 55.513 56.400 0.003 0.000 0.782 662 E CB 1.359 31.066 29.700 0.011 0.000 1.228 662 E HN 0.131 nan 8.360 nan 0.000 0.424 663 N N 1.303 119.957 118.700 -0.076 0.000 2.738 663 N HA -0.207 4.538 4.740 0.007 0.000 0.249 663 N C 0.741 176.133 175.510 -0.196 0.000 1.047 663 N CA 0.470 53.420 53.050 -0.166 0.000 0.707 663 N CB -0.434 37.992 38.487 -0.101 0.000 0.937 663 N HN 0.686 nan 8.380 nan 0.000 0.545 664 T N -2.516 111.918 114.554 -0.201 0.000 3.077 664 T HA -0.079 4.275 4.350 0.007 0.000 0.269 664 T C 1.155 175.558 174.700 -0.495 0.000 1.146 664 T CA 0.948 62.934 62.100 -0.190 0.000 1.091 664 T CB -0.008 68.795 68.868 -0.108 0.000 0.892 664 T HN 0.463 nan 8.240 nan 0.000 0.533 665 R N -0.305 119.653 120.500 -0.902 0.000 2.615 665 R HA 0.318 4.663 4.340 0.007 0.000 0.448 665 R C 1.458 176.701 176.300 -1.762 0.000 1.009 665 R CA -0.048 54.892 56.100 -1.932 0.000 1.111 665 R CB 0.516 29.871 30.300 -1.574 0.000 1.461 665 R HN 0.296 nan 8.270 nan 0.000 0.587 666 G N 0.251 108.263 108.800 -1.312 0.000 3.332 666 G HA2 -0.078 3.886 3.960 0.007 0.000 0.242 666 G HA3 -0.078 3.886 3.960 0.007 0.000 0.242 666 G C 0.567 174.544 174.900 -1.539 0.000 1.276 666 G CA -0.363 44.089 45.100 -1.079 0.000 0.988 666 G HN 0.289 nan 8.290 nan 0.000 0.517 667 W N 0.363 120.764 121.300 -1.499 0.000 2.290 667 W HA -0.153 4.511 4.660 0.008 0.000 0.318 667 W C 0.825 176.793 176.519 -0.919 0.000 1.248 667 W CA 0.765 57.198 57.345 -1.520 0.000 1.263 667 W CB -0.895 27.597 29.460 -1.612 0.000 1.147 667 W HN 0.405 nan 8.180 nan 0.000 0.494 668 Y N 0.318 120.527 120.300 -0.152 0.000 2.681 668 Y HA 0.147 4.701 4.550 0.007 0.000 0.267 668 Y C 1.996 177.893 175.900 -0.005 0.000 1.166 668 Y CA -0.003 58.097 58.100 0.000 0.000 1.209 668 Y CB -1.322 37.168 38.460 0.050 0.000 1.161 668 Y HN -0.115 nan 8.280 nan 0.000 0.534 669 T N -4.229 110.340 114.554 0.024 0.000 3.160 669 T HA 0.093 4.447 4.350 0.007 0.000 0.257 669 T C 1.741 176.529 174.700 0.145 0.000 1.147 669 T CA 0.989 63.139 62.100 0.084 0.000 1.064 669 T CB -0.050 68.834 68.868 0.026 0.000 0.949 669 T HN 0.424 nan 8.240 nan 0.000 0.526 670 G N 0.587 109.497 108.800 0.183 0.000 3.228 670 G HA2 0.192 4.156 3.960 0.007 0.000 0.245 670 G HA3 0.192 4.156 3.960 0.007 0.000 0.245 670 G C -0.010 175.112 174.900 0.370 0.000 1.051 670 G CA -0.419 44.819 45.100 0.230 0.000 0.809 670 G HN 0.387 nan 8.290 nan 0.000 0.531 671 D N 1.597 122.184 120.400 0.310 0.000 3.057 671 D HA 0.342 4.986 4.640 0.007 0.000 0.246 671 D C 1.366 177.715 176.300 0.083 0.000 1.238 671 D CA 0.302 54.424 54.000 0.204 0.000 0.949 671 D CB -0.062 40.748 40.800 0.016 0.000 1.086 671 D HN 0.293 nan 8.370 nan 0.000 0.487 672 G N 1.716 110.639 108.800 0.206 0.000 2.298 672 G HA2 -0.316 3.648 3.960 0.007 0.000 0.287 672 G HA3 -0.316 3.648 3.960 0.007 0.000 0.287 672 G C 0.192 175.263 174.900 0.286 0.000 1.075 672 G CA -0.024 45.240 45.100 0.273 0.000 0.960 672 G HN 0.442 nan 8.290 nan 0.000 0.502 673 M N 0.227 119.925 119.600 0.165 0.000 2.249 673 M HA 0.731 5.215 4.480 0.007 0.000 0.351 673 M C 0.431 176.793 176.300 0.103 0.000 1.180 673 M CA -0.914 54.446 55.300 0.099 0.000 1.127 673 M CB 0.487 33.085 32.600 -0.003 0.000 1.546 673 M HN 0.538 nan 8.290 nan 0.000 0.461 674 F N 2.868 122.842 119.950 0.040 0.000 2.579 674 F HA 0.770 5.301 4.527 0.006 0.000 0.324 674 F C -2.255 173.510 175.800 -0.059 0.000 1.058 674 F CA -0.920 57.104 58.000 0.039 0.000 0.944 674 F CB 1.020 40.259 39.000 0.398 0.000 1.245 674 F HN 0.486 nan 8.300 nan 0.000 0.477 675 Y N 2.205 122.470 120.300 -0.059 0.000 2.512 675 Y HA 0.681 5.235 4.550 0.008 0.000 0.348 675 Y C -0.976 175.025 175.900 0.168 0.000 0.990 675 Y CA -1.337 56.638 58.100 -0.209 0.000 1.033 675 Y CB 1.990 40.124 38.460 -0.543 0.000 1.259 675 Y HN 0.486 nan 8.280 nan 0.000 0.461 676 I N 2.821 123.530 120.570 0.231 0.000 2.478 676 I HA 0.263 4.437 4.170 0.007 0.000 0.287 676 I C -1.487 174.640 176.117 0.016 0.000 1.042 676 I CA -1.650 59.835 61.300 0.309 0.000 1.067 676 I CB 1.229 39.429 38.000 0.334 0.000 1.233 676 I HN 0.559 nan 8.210 nan 0.000 0.431 677 Y N 6.345 126.872 120.300 0.379 0.000 2.369 677 Y HA 0.387 4.943 4.550 0.009 0.000 0.337 677 Y C 0.789 176.837 175.900 0.245 0.000 0.961 677 Y CA -0.454 57.820 58.100 0.290 0.000 1.186 677 Y CB 0.935 39.544 38.460 0.247 0.000 1.139 677 Y HN 0.588 nan 8.280 nan 0.000 0.494 678 N N -1.051 117.792 118.700 0.238 0.000 3.184 678 N HA 0.221 4.966 4.740 0.007 0.000 0.353 678 N C 0.842 176.434 175.510 0.137 0.000 1.441 678 N CA -0.340 52.814 53.050 0.173 0.000 0.723 678 N CB 0.909 39.432 38.487 0.060 0.000 1.547 678 N HN 0.366 nan 8.380 nan 0.000 0.624 679 S N -1.120 114.632 115.700 0.087 0.000 2.469 679 S HA -0.204 4.270 4.470 0.007 0.000 0.238 679 S C 0.420 175.037 174.600 0.027 0.000 0.998 679 S CA 1.092 59.330 58.200 0.064 0.000 0.957 679 S CB -0.697 62.526 63.200 0.038 0.000 0.764 679 S HN 0.632 nan 8.310 nan 0.000 0.514 680 D N 1.583 121.977 120.400 -0.011 0.000 2.483 680 D HA 0.184 4.828 4.640 0.007 0.000 0.220 680 D C 1.005 177.264 176.300 -0.068 0.000 1.173 680 D CA -0.135 53.827 54.000 -0.063 0.000 0.964 680 D CB 0.292 41.035 40.800 -0.095 0.000 1.046 680 D HN 0.413 nan 8.370 nan 0.000 0.517 681 Q N 1.007 120.760 119.800 -0.078 0.000 2.364 681 Q HA -0.105 4.239 4.340 0.007 0.000 0.209 681 Q C 1.282 176.996 176.000 -0.476 0.000 0.977 681 Q CA 0.985 56.739 55.803 -0.080 0.000 0.885 681 Q CB 0.138 28.906 28.738 0.050 0.000 0.941 681 Q HN 0.494 nan 8.270 nan 0.000 0.464 682 S N -1.804 113.435 115.700 -0.767 0.000 2.557 682 S HA -0.015 4.459 4.470 0.007 0.000 0.223 682 S C 1.183 175.543 174.600 -0.400 0.000 0.969 682 S CA -0.149 57.480 58.200 -0.952 0.000 0.927 682 S CB 0.045 62.742 63.200 -0.839 0.000 0.806 682 S HN 0.411 nan 8.310 nan 0.000 0.489 683 H N 1.369 120.190 119.070 -0.415 0.000 2.289 683 H HA -0.135 4.425 4.556 0.007 0.000 0.296 683 H C 0.849 175.748 175.328 -0.716 0.000 1.091 683 H CA 2.451 58.162 56.048 -0.563 0.000 1.274 683 H CB -0.330 28.983 29.762 -0.749 0.000 1.364 683 H HN 0.558 nan 8.280 nan 0.000 0.490 684 Y N -0.307 119.773 120.300 -0.366 0.000 2.490 684 Y HA 0.263 4.817 4.550 0.006 0.000 0.281 684 Y C 1.001 176.836 175.900 -0.108 0.000 1.174 684 Y CA 0.076 57.800 58.100 -0.627 0.000 1.295 684 Y CB 0.384 38.623 38.460 -0.368 0.000 1.062 684 Y HN 0.057 nan 8.280 nan 0.000 0.522 685 S N -0.679 115.078 115.700 0.095 0.000 2.795 685 S HA 0.197 4.671 4.470 0.007 0.000 0.308 685 S C 0.068 174.777 174.600 0.182 0.000 1.098 685 S CA -0.811 57.551 58.200 0.270 0.000 0.934 685 S CB 0.878 64.297 63.200 0.365 0.000 1.300 685 S HN 0.435 nan 8.310 nan 0.000 0.566 686 N N 1.188 120.003 118.700 0.192 0.000 2.727 686 N HA -0.239 4.506 4.740 0.007 0.000 0.251 686 N C -0.852 174.636 175.510 -0.037 0.000 1.040 686 N CA 0.638 53.677 53.050 -0.019 0.000 0.712 686 N CB -1.251 37.273 38.487 0.062 0.000 0.912 686 N HN 0.806 nan 8.380 nan 0.000 0.545 687 H N -2.678 116.656 119.070 0.440 0.000 2.936 687 H HA -0.228 4.333 4.556 0.008 0.000 0.276 687 H C 0.875 176.242 175.328 0.065 0.000 1.216 687 H CA 1.297 57.526 56.048 0.302 0.000 1.132 687 H CB -2.220 27.672 29.762 0.218 0.000 1.303 687 H HN 0.611 nan 8.280 nan 0.000 0.370 688 F N -0.426 119.554 119.950 0.050 0.000 2.113 688 F HA -0.102 4.430 4.527 0.008 0.000 0.297 688 F C 2.194 177.879 175.800 -0.192 0.000 1.103 688 F CA 1.601 59.537 58.000 -0.105 0.000 1.248 688 F CB -0.378 38.422 39.000 -0.333 0.000 0.999 688 F HN 0.156 nan 8.300 nan 0.000 0.475 689 W N 1.501 122.660 121.300 -0.236 0.000 2.381 689 W HA -0.065 4.598 4.660 0.006 0.000 0.301 689 W C -0.347 175.749 176.519 -0.704 0.000 1.205 689 W CA 1.063 58.117 57.345 -0.484 0.000 1.285 689 W CB -1.759 27.608 29.460 -0.153 0.000 1.133 689 W HN 0.071 nan 8.180 nan 0.000 0.521 690 P HA -0.059 nan 4.420 nan 0.000 0.229 690 P C 1.207 178.233 177.300 -0.457 0.000 1.160 690 P CA 2.071 64.745 63.100 -0.711 0.000 0.777 690 P CB -0.108 30.880 31.700 -1.187 0.000 0.814 691 T N -4.088 110.223 114.554 -0.405 0.000 2.990 691 T HA 0.130 4.484 4.350 0.007 0.000 0.250 691 T C 0.751 175.098 174.700 -0.589 0.000 1.041 691 T CA -0.185 61.721 62.100 -0.322 0.000 1.010 691 T CB -0.751 68.078 68.868 -0.065 0.000 1.003 691 T HN -0.094 nan 8.240 nan 0.000 0.499 692 V N 2.865 122.279 119.914 -0.833 0.000 2.843 692 V HA 0.244 4.369 4.120 0.007 0.000 0.305 692 V C 0.272 175.916 176.094 -0.749 0.000 1.065 692 V CA -0.620 60.980 62.300 -1.167 0.000 1.116 692 V CB 0.333 31.260 31.823 -1.494 0.000 0.968 692 V HN 0.684 nan 8.190 nan 0.000 0.487 693 N N 7.418 125.716 118.700 -0.671 0.000 2.405 693 N HA 0.252 4.996 4.740 0.007 0.000 0.260 693 N C -1.485 173.880 175.510 -0.242 0.000 1.152 693 N CA -1.218 51.625 53.050 -0.345 0.000 0.948 693 N CB 1.140 39.479 38.487 -0.246 0.000 1.111 693 N HN 0.555 nan 8.380 nan 0.000 0.485 694 P HA -0.165 nan 4.420 nan 0.000 0.220 694 P C 0.362 177.557 177.300 -0.174 0.000 1.148 694 P CA 1.318 64.200 63.100 -0.363 0.000 0.803 694 P CB 0.033 31.304 31.700 -0.716 0.000 0.782 695 Y N 0.640 121.025 120.300 0.142 0.000 2.286 695 Y HA 0.004 4.558 4.550 0.007 0.000 0.293 695 Y C 1.664 177.671 175.900 0.178 0.000 1.124 695 Y CA 0.954 59.234 58.100 0.301 0.000 1.178 695 Y CB -0.514 38.061 38.460 0.192 0.000 1.010 695 Y HN -0.212 nan 8.280 nan 0.000 0.536 696 K N 0.720 121.224 120.400 0.175 0.000 3.001 696 K HA 0.155 4.479 4.320 0.007 0.000 0.257 696 K C -0.477 176.124 176.600 0.002 0.000 1.290 696 K CA -0.135 56.186 56.287 0.058 0.000 1.252 696 K CB -0.399 32.100 32.500 -0.001 0.000 1.656 696 K HN 0.147 nan 8.250 nan 0.000 0.351 697 M N 1.041 120.668 119.600 0.044 0.000 2.238 697 M HA 0.083 4.567 4.480 0.007 0.000 0.350 697 M C 0.449 176.724 176.300 -0.042 0.000 1.321 697 M CA -1.150 54.149 55.300 -0.002 0.000 1.097 697 M CB 0.211 32.853 32.600 0.069 0.000 1.713 697 M HN 0.339 nan 8.290 nan 0.000 0.455 698 A N 3.179 125.908 122.820 -0.151 0.000 2.553 698 A HA 0.421 4.745 4.320 0.007 0.000 0.258 698 A C 1.373 178.914 177.584 -0.070 0.000 1.069 698 A CA 0.720 52.616 52.037 -0.235 0.000 0.767 698 A CB -1.061 17.568 19.000 -0.618 0.000 0.997 698 A HN 1.435 nan 8.150 nan 0.000 0.512 699 G N 2.053 111.001 108.800 0.247 0.000 2.217 699 G HA2 -0.195 3.769 3.960 0.007 0.000 0.246 699 G HA3 -0.195 3.769 3.960 0.007 0.000 0.246 699 G C 0.633 175.743 174.900 0.350 0.000 0.990 699 G CA 1.002 46.415 45.100 0.522 0.000 0.627 699 G HN 2.100 nan 8.290 nan 0.000 0.522 700 T N -0.873 113.786 114.554 0.176 0.000 2.899 700 T HA 0.614 4.969 4.350 0.007 0.000 0.284 700 T C -0.006 174.714 174.700 0.033 0.000 1.004 700 T CA 0.547 62.699 62.100 0.085 0.000 1.043 700 T CB 1.991 70.879 68.868 0.033 0.000 1.013 700 T HN 0.429 nan 8.240 nan 0.000 0.518 701 T N 3.202 117.755 114.554 -0.002 0.000 2.791 701 T HA 0.564 4.918 4.350 0.007 0.000 0.288 701 T C -0.567 174.196 174.700 0.106 0.000 0.999 701 T CA -0.785 61.379 62.100 0.106 0.000 0.952 701 T CB 1.047 70.088 68.868 0.287 0.000 0.938 701 T HN 0.685 nan 8.240 nan 0.000 0.444 702 E N 1.892 122.128 120.200 0.060 0.000 2.446 702 E HA 0.518 4.873 4.350 0.007 0.000 0.269 702 E C -0.718 175.930 176.600 0.079 0.000 0.977 702 E CA -1.008 55.403 56.400 0.018 0.000 0.854 702 E CB 2.107 31.605 29.700 -0.338 0.000 1.545 702 E HN 0.314 nan 8.360 nan 0.000 0.448 703 K N 1.008 121.468 120.400 0.101 0.000 2.156 703 K HA 0.149 4.473 4.320 0.007 0.000 0.250 703 K C 0.145 176.822 176.600 0.128 0.000 0.955 703 K CA -0.408 55.953 56.287 0.124 0.000 0.855 703 K CB 0.806 33.400 32.500 0.156 0.000 1.101 703 K HN 0.414 nan 8.250 nan 0.000 0.434 704 D N 0.895 121.341 120.400 0.077 0.000 2.363 704 D HA -0.016 4.628 4.640 0.007 0.000 0.226 704 D C 0.148 176.446 176.300 -0.003 0.000 1.020 704 D CA -0.159 53.853 54.000 0.020 0.000 0.892 704 D CB -0.297 40.482 40.800 -0.035 0.000 0.900 704 D HN 0.428 nan 8.370 nan 0.000 0.531 705 A N 0.834 123.712 122.820 0.097 0.000 2.565 705 A HA 0.033 4.357 4.320 0.007 0.000 0.237 705 A C 0.758 178.400 177.584 0.096 0.000 1.053 705 A CA -0.071 52.030 52.037 0.107 0.000 0.755 705 A CB 0.260 19.382 19.000 0.203 0.000 0.980 705 A HN 0.036 nan 8.150 nan 0.000 0.506 706 K N 1.617 122.026 120.400 0.015 0.000 2.382 706 K HA 0.157 4.481 4.320 0.007 0.000 0.275 706 K C -0.165 176.423 176.600 -0.020 0.000 1.009 706 K CA 0.089 56.376 56.287 0.001 0.000 0.970 706 K CB 0.301 32.786 32.500 -0.025 0.000 0.934 706 K HN 0.745 nan 8.250 nan 0.000 0.479 707 R N 2.327 122.745 120.500 -0.138 0.000 2.803 707 R HA 0.308 4.652 4.340 0.007 0.000 0.276 707 R C -0.224 175.721 176.300 -0.591 0.000 0.978 707 R CA -0.838 54.826 56.100 -0.726 0.000 0.939 707 R CB 1.236 30.393 30.300 -1.905 0.000 1.179 707 R HN 0.569 nan 8.270 nan 0.000 0.472 708 E N 1.381 121.215 120.200 -0.610 0.000 2.266 708 E HA 0.157 4.511 4.350 0.007 0.000 0.277 708 E C -0.680 175.778 176.600 -0.236 0.000 1.018 708 E CA -0.660 55.523 56.400 -0.362 0.000 0.840 708 E CB 1.065 30.454 29.700 -0.517 0.000 1.082 708 E HN 0.275 nan 8.360 nan 0.000 0.395 709 D N 1.404 121.830 120.400 0.042 0.000 2.458 709 D HA 0.015 4.659 4.640 0.007 0.000 0.243 709 D C -0.288 176.019 176.300 0.011 0.000 1.146 709 D CA 0.525 54.620 54.000 0.159 0.000 0.877 709 D CB 0.327 41.179 40.800 0.086 0.000 1.176 709 D HN 0.086 nan 8.370 nan 0.000 0.461 710 T N 2.653 117.264 114.554 0.095 0.000 2.978 710 T HA 0.283 4.637 4.350 0.007 0.000 0.278 710 T C 0.293 175.025 174.700 0.053 0.000 0.945 710 T CA -0.441 61.685 62.100 0.045 0.000 1.070 710 T CB -0.500 68.466 68.868 0.162 0.000 0.948 710 T HN 0.354 nan 8.240 nan 0.000 0.617 711 T N -0.134 114.468 114.554 0.080 0.000 2.856 711 T HA 0.521 4.875 4.350 0.007 0.000 0.283 711 T C -0.064 174.717 174.700 0.136 0.000 1.008 711 T CA -1.283 60.877 62.100 0.101 0.000 0.997 711 T CB 1.652 70.586 68.868 0.109 0.000 0.992 711 T HN 0.117 nan 8.240 nan 0.000 0.454 712 K N 1.929 122.388 120.400 0.099 0.000 2.121 712 K HA 0.197 4.521 4.320 0.007 0.000 0.235 712 K C 0.590 177.249 176.600 0.099 0.000 1.200 712 K CA 0.267 56.611 56.287 0.095 0.000 1.115 712 K CB -0.676 31.861 32.500 0.061 0.000 1.474 712 K HN 0.857 nan 8.250 nan 0.000 0.295 713 E N 2.060 122.343 120.200 0.138 0.000 2.063 713 E HA -0.110 4.244 4.350 0.007 0.000 0.261 713 E C 0.622 177.317 176.600 0.159 0.000 1.078 713 E CA 0.086 56.557 56.400 0.119 0.000 1.828 713 E CB -0.832 28.936 29.700 0.112 0.000 3.457 713 E HN 0.335 nan 8.360 nan 0.000 1.008 714 F N 2.486 122.477 119.950 0.068 0.000 2.186 714 F HA 0.017 4.548 4.527 0.007 0.000 0.299 714 F C 2.430 178.298 175.800 0.114 0.000 1.090 714 F CA 1.586 59.641 58.000 0.090 0.000 1.307 714 F CB 0.029 39.068 39.000 0.065 0.000 1.019 714 F HN 0.007 nan 8.300 nan 0.000 0.489 715 M N 0.364 120.234 119.600 0.449 0.000 2.084 715 M HA -0.165 4.319 4.480 0.007 0.000 0.259 715 M C 0.821 177.237 176.300 0.193 0.000 1.072 715 M CA 1.395 56.886 55.300 0.318 0.000 1.107 715 M CB -0.939 31.778 32.600 0.195 0.000 1.299 715 M HN -0.003 nan 8.290 nan 0.000 0.413 716 S N 1.609 117.386 115.700 0.127 0.000 2.481 716 S HA 0.156 4.630 4.470 0.007 0.000 0.282 716 S C 0.612 175.233 174.600 0.035 0.000 1.243 716 S CA 0.281 58.524 58.200 0.071 0.000 1.078 716 S CB 0.552 63.784 63.200 0.053 0.000 0.916 716 S HN 0.572 nan 8.310 nan 0.000 0.495 717 K N 1.968 122.373 120.400 0.008 0.000 2.118 717 K HA -0.143 4.182 4.320 0.007 0.000 0.415 717 K C -0.264 176.257 176.600 -0.130 0.000 0.637 717 K CA -0.024 56.217 56.287 -0.078 0.000 1.829 717 K CB -1.112 31.314 32.500 -0.123 0.000 0.832 717 K HN 0.532 nan 8.250 nan 0.000 0.403 718 H N 2.139 121.175 119.070 -0.057 0.000 2.640 718 H HA 0.451 5.011 4.556 0.007 0.000 0.312 718 H C -0.452 174.890 175.328 0.023 0.000 1.110 718 H CA 0.386 56.423 56.048 -0.018 0.000 1.098 718 H CB 0.723 30.492 29.762 0.012 0.000 1.485 718 H HN 0.239 nan 8.280 nan 0.000 0.526 719 S N 1.352 117.099 115.700 0.079 0.000 2.560 719 S HA -0.092 4.383 4.470 0.007 0.000 0.276 719 S C 0.774 175.412 174.600 0.064 0.000 1.350 719 S CA 0.094 58.332 58.200 0.064 0.000 1.024 719 S CB 0.358 63.576 63.200 0.030 0.000 0.864 719 S HN 0.706 nan 8.310 nan 0.000 0.536 720 K N 0.097 120.529 120.400 0.053 0.000 3.445 720 K HA -0.274 4.050 4.320 0.007 0.000 0.316 720 K C -0.117 176.521 176.600 0.063 0.000 1.278 720 K CA 1.958 58.272 56.287 0.045 0.000 0.976 720 K CB -1.553 30.965 32.500 0.032 0.000 1.238 720 K HN 0.722 nan 8.250 nan 0.000 0.430 721 D N 0.252 120.710 120.400 0.097 0.000 2.479 721 D HA 0.302 4.946 4.640 0.007 0.000 0.218 721 D C 0.125 176.501 176.300 0.127 0.000 1.177 721 D CA 0.410 54.486 54.000 0.128 0.000 0.830 721 D CB 0.557 41.482 40.800 0.208 0.000 1.014 721 D HN 0.438 nan 8.370 nan 0.000 0.503 722 A N 0.997 123.876 122.820 0.099 0.000 2.603 722 A HA 0.036 4.360 4.320 0.007 0.000 0.235 722 A C 1.161 178.783 177.584 0.065 0.000 1.035 722 A CA 0.951 53.037 52.037 0.082 0.000 0.755 722 A CB 0.023 19.051 19.000 0.048 0.000 0.954 722 A HN 0.466 nan 8.150 nan 0.000 0.511 723 K N 0.387 120.821 120.400 0.056 0.000 7.952 723 K HA -0.406 3.918 4.320 0.007 0.000 0.482 723 K C 1.480 178.122 176.600 0.070 0.000 0.374 723 K CA 2.207 58.507 56.287 0.022 0.000 1.938 723 K CB -1.399 31.087 32.500 -0.025 0.000 0.742 723 K HN 0.881 nan 8.250 nan 0.000 0.896 724 E N 1.399 121.651 120.200 0.086 0.000 2.113 724 E HA -0.332 4.022 4.350 0.007 0.000 0.210 724 E C 1.836 178.541 176.600 0.175 0.000 1.040 724 E CA 2.281 58.753 56.400 0.121 0.000 0.847 724 E CB -0.046 29.713 29.700 0.099 0.000 0.755 724 E HN 0.259 nan 8.360 nan 0.000 0.459 725 K N -0.078 120.408 120.400 0.143 0.000 2.296 725 K HA -0.022 4.302 4.320 0.007 0.000 0.200 725 K C 1.832 178.488 176.600 0.093 0.000 1.048 725 K CA 1.555 57.924 56.287 0.136 0.000 0.966 725 K CB -0.363 32.122 32.500 -0.026 0.000 0.754 725 K HN 0.385 nan 8.250 nan 0.000 0.466 726 T N -3.108 111.475 114.554 0.049 0.000 3.188 726 T HA 0.213 4.567 4.350 0.007 0.000 0.250 726 T C 1.132 175.817 174.700 -0.025 0.000 1.077 726 T CA 0.413 62.466 62.100 -0.078 0.000 0.967 726 T CB -0.207 68.653 68.868 -0.013 0.000 1.006 726 T HN 0.275 nan 8.240 nan 0.000 0.552 727 G N 1.496 110.352 108.800 0.093 0.000 2.155 727 G HA2 -0.268 3.696 3.960 0.007 0.000 0.257 727 G HA3 -0.268 3.696 3.960 0.007 0.000 0.257 727 G C -0.031 175.010 174.900 0.234 0.000 0.983 727 G CA 0.174 45.407 45.100 0.223 0.000 0.676 727 G HN 0.653 nan 8.290 nan 0.000 0.528 728 Q N 0.093 119.894 119.800 0.002 0.000 2.835 728 Q HA 0.564 4.908 4.340 0.007 0.000 0.235 728 Q C 0.007 175.967 176.000 -0.068 0.000 1.313 728 Q CA -0.226 55.426 55.803 -0.253 0.000 1.053 728 Q CB 1.657 30.147 28.738 -0.413 0.000 1.443 728 Q HN 0.300 nan 8.270 nan 0.000 0.576 729 V N 0.965 120.898 119.914 0.031 0.000 3.019 729 V HA 0.456 4.580 4.120 0.007 0.000 0.317 729 V C -0.250 175.879 176.094 0.059 0.000 1.094 729 V CA -0.435 61.907 62.300 0.069 0.000 1.000 729 V CB 2.507 34.418 31.823 0.146 0.000 1.060 729 V HN 0.435 nan 8.190 nan 0.000 0.443 730 T N 3.111 117.724 114.554 0.097 0.000 2.845 730 T HA 0.528 4.882 4.350 0.007 0.000 0.288 730 T C 0.352 175.205 174.700 0.256 0.000 0.980 730 T CA 0.485 62.675 62.100 0.151 0.000 1.071 730 T CB 0.672 69.601 68.868 0.102 0.000 0.941 730 T HN 1.187 nan 8.240 nan 0.000 0.487 731 G N 2.102 111.177 108.800 0.459 0.000 2.647 731 G HA2 0.157 4.121 3.960 0.007 0.000 0.234 731 G HA3 0.157 4.121 3.960 0.007 0.000 0.234 731 G C 1.212 176.217 174.900 0.174 0.000 1.252 731 G CA 0.235 45.547 45.100 0.352 0.000 0.846 731 G HN 0.844 nan 8.290 nan 0.000 0.589 732 T N -2.247 112.378 114.554 0.119 0.000 3.039 732 T HA 0.207 4.561 4.350 0.007 0.000 0.250 732 T C 1.444 176.188 174.700 0.074 0.000 1.052 732 T CA 0.774 62.921 62.100 0.079 0.000 1.125 732 T CB 0.047 68.943 68.868 0.047 0.000 0.908 732 T HN 0.631 nan 8.240 nan 0.000 0.473 733 S N 1.671 117.422 115.700 0.084 0.000 2.585 733 S HA 0.326 4.800 4.470 0.007 0.000 0.277 733 S C 0.210 174.884 174.600 0.123 0.000 1.241 733 S CA -0.511 57.756 58.200 0.110 0.000 1.041 733 S CB 1.018 64.307 63.200 0.148 0.000 0.987 733 S HN 0.390 nan 8.310 nan 0.000 0.512 734 D N 2.080 122.563 120.400 0.139 0.000 2.360 734 D HA 0.052 4.696 4.640 0.007 0.000 0.210 734 D C 0.141 176.540 176.300 0.165 0.000 1.047 734 D CA 0.009 54.082 54.000 0.122 0.000 0.854 734 D CB -0.345 40.513 40.800 0.096 0.000 0.936 734 D HN 0.451 nan 8.370 nan 0.000 0.514 735 F N 2.273 122.258 119.950 0.058 0.000 2.678 735 F HA 0.301 4.833 4.527 0.008 0.000 0.358 735 F C -0.701 175.168 175.800 0.115 0.000 1.256 735 F CA -0.532 57.515 58.000 0.078 0.000 1.278 735 F CB -0.152 38.913 39.000 0.109 0.000 1.681 735 F HN -0.324 nan 8.300 nan 0.000 0.661 736 V N 2.565 122.446 119.914 -0.054 0.000 2.711 736 V HA 0.882 5.006 4.120 0.007 0.000 0.304 736 V C -0.029 176.054 176.094 -0.018 0.000 1.097 736 V CA -0.420 61.866 62.300 -0.022 0.000 0.906 736 V CB 1.257 33.110 31.823 0.050 0.000 1.015 736 V HN 0.666 nan 8.190 nan 0.000 0.427 737 G N 2.699 111.496 108.800 -0.003 0.000 2.356 737 G HA2 0.702 4.667 3.960 0.007 0.000 0.294 737 G HA3 0.702 4.667 3.960 0.007 0.000 0.294 737 G C -1.111 173.795 174.900 0.011 0.000 1.423 737 G CA 0.102 45.260 45.100 0.097 0.000 0.806 737 G HN 1.295 nan 8.290 nan 0.000 0.527 738 S N -2.050 113.559 115.700 -0.152 0.000 2.556 738 S HA 0.869 5.344 4.470 0.007 0.000 0.271 738 S C -1.426 172.859 174.600 -0.524 0.000 1.135 738 S CA -0.481 57.585 58.200 -0.224 0.000 0.858 738 S CB 1.963 65.071 63.200 -0.153 0.000 1.114 738 S HN 2.156 nan 8.310 nan 0.000 0.468 739 V N 1.541 121.239 119.914 -0.360 0.000 3.012 739 V HA 0.795 4.919 4.120 0.007 0.000 0.307 739 V C -1.874 174.107 176.094 -0.188 0.000 1.166 739 V CA -0.772 61.297 62.300 -0.386 0.000 0.974 739 V CB 2.136 33.750 31.823 -0.348 0.000 1.040 739 V HN 1.270 nan 8.190 nan 0.000 0.428 740 K N 4.833 125.139 120.400 -0.157 0.000 2.316 740 K HA 0.565 4.889 4.320 0.007 0.000 0.251 740 K C -0.235 176.348 176.600 -0.027 0.000 0.934 740 K CA -0.753 55.485 56.287 -0.081 0.000 0.802 740 K CB 2.236 34.675 32.500 -0.101 0.000 1.171 740 K HN 0.478 nan 8.250 nan 0.000 0.426 741 L N 1.925 123.168 121.223 0.032 0.000 2.095 741 L HA 0.062 4.406 4.340 0.007 0.000 0.204 741 L C 0.236 177.142 176.870 0.060 0.000 1.080 741 L CA 1.577 56.447 54.840 0.051 0.000 0.759 741 L CB -0.607 41.494 42.059 0.069 0.000 0.914 741 L HN 1.047 nan 8.230 nan 0.000 0.439 742 N N -3.419 115.339 118.700 0.095 0.000 3.633 742 N HA 0.071 4.815 4.740 0.007 0.000 0.344 742 N C -0.647 174.886 175.510 0.039 0.000 1.627 742 N CA -0.511 52.595 53.050 0.092 0.000 0.754 742 N CB 0.062 38.655 38.487 0.176 0.000 2.450 742 N HN -0.254 nan 8.380 nan 0.000 0.592 743 D N -0.962 119.444 120.400 0.010 0.000 2.328 743 D HA 0.139 4.783 4.640 0.007 0.000 0.221 743 D C 0.001 176.061 176.300 -0.399 0.000 1.072 743 D CA 0.680 54.576 54.000 -0.173 0.000 0.850 743 D CB -0.149 40.513 40.800 -0.229 0.000 0.922 743 D HN 0.435 nan 8.370 nan 0.000 0.516 744 H N -2.240 116.844 119.070 0.023 0.000 3.680 744 H HA 0.252 4.812 4.556 0.005 0.000 0.260 744 H C -0.623 174.327 175.328 -0.631 0.000 1.183 744 H CA -0.093 55.842 56.048 -0.190 0.000 1.159 744 H CB 0.686 30.367 29.762 -0.134 0.000 1.567 744 H HN -0.116 nan 8.280 nan 0.000 0.648 745 F N 1.064 120.976 119.950 -0.063 0.000 2.539 745 F HA 0.732 5.263 4.527 0.006 0.000 0.318 745 F C -0.282 175.438 175.800 -0.133 0.000 1.135 745 F CA -0.856 57.085 58.000 -0.097 0.000 0.915 745 F CB 1.879 40.862 39.000 -0.027 0.000 1.176 745 F HN 0.026 nan 8.300 nan 0.000 0.440 746 A N 2.870 125.668 122.820 -0.037 0.000 2.606 746 A HA 0.867 5.191 4.320 0.007 0.000 0.293 746 A C -2.473 175.096 177.584 -0.025 0.000 1.082 746 A CA -0.656 51.344 52.037 -0.062 0.000 0.685 746 A CB 1.919 20.827 19.000 -0.154 0.000 1.284 746 A HN 0.646 nan 8.150 nan 0.000 0.408 747 L N 0.817 122.032 121.223 -0.014 0.000 2.410 747 L HA 0.910 5.254 4.340 0.007 0.000 0.270 747 L C -0.217 176.672 176.870 0.032 0.000 0.983 747 L CA -0.023 54.834 54.840 0.028 0.000 0.822 747 L CB 1.539 43.624 42.059 0.044 0.000 1.285 747 L HN 1.500 nan 8.230 nan 0.000 0.409 748 A N 3.681 126.579 122.820 0.130 0.000 2.515 748 A HA 1.044 5.368 4.320 0.007 0.000 0.298 748 A C -1.352 176.465 177.584 0.388 0.000 1.059 748 A CA 0.073 52.229 52.037 0.199 0.000 0.698 748 A CB 1.741 20.848 19.000 0.180 0.000 1.289 748 A HN 1.388 nan 8.150 nan 0.000 0.404 749 A N 1.232 124.238 122.820 0.310 0.000 2.609 749 A HA 0.908 5.232 4.320 0.007 0.000 0.291 749 A C -0.895 176.886 177.584 0.328 0.000 1.096 749 A CA 0.018 52.249 52.037 0.324 0.000 0.684 749 A CB 1.480 20.536 19.000 0.094 0.000 1.282 749 A HN 2.227 nan 8.150 nan 0.000 0.412 750 M N 1.578 121.419 119.600 0.401 0.000 2.274 750 M HA 0.381 4.865 4.480 0.007 0.000 0.272 750 M C -2.201 174.326 176.300 0.379 0.000 1.053 750 M CA -0.419 55.094 55.300 0.354 0.000 0.978 750 M CB 1.746 34.605 32.600 0.431 0.000 1.836 750 M HN 0.552 nan 8.290 nan 0.000 0.484 751 D N 4.858 125.488 120.400 0.383 0.000 2.344 751 D HA 0.256 4.900 4.640 0.007 0.000 0.253 751 D C -1.094 175.385 176.300 0.299 0.000 1.255 751 D CA 0.517 54.725 54.000 0.348 0.000 0.894 751 D CB 0.266 41.278 40.800 0.352 0.000 1.067 751 D HN 0.440 nan 8.370 nan 0.000 0.492 752 F N 2.254 122.297 119.950 0.154 0.000 2.385 752 F HA 0.485 5.016 4.527 0.007 0.000 0.336 752 F C 0.060 175.943 175.800 0.138 0.000 1.100 752 F CA -0.481 57.609 58.000 0.151 0.000 1.116 752 F CB 1.574 40.706 39.000 0.220 0.000 1.166 752 F HN 0.064 nan 8.300 nan 0.000 0.511 753 T N 5.766 119.862 114.554 -0.764 0.000 2.971 753 T HA 0.261 4.615 4.350 0.007 0.000 0.304 753 T C -0.707 173.447 174.700 -0.910 0.000 1.038 753 T CA -0.831 60.829 62.100 -0.733 0.000 1.007 753 T CB 0.423 69.148 68.868 -0.237 0.000 1.055 753 T HN 0.786 nan 8.240 nan 0.000 0.451 754 N N 3.385 121.634 118.700 -0.752 0.000 2.189 754 N HA -0.072 4.673 4.740 0.007 0.000 0.243 754 N C 1.690 177.192 175.510 -0.013 0.000 1.235 754 N CA 0.353 53.243 53.050 -0.266 0.000 0.843 754 N CB 0.379 38.757 38.487 -0.182 0.000 1.089 754 N HN 0.859 nan 8.380 nan 0.000 0.454 755 W N 2.469 123.861 121.300 0.153 0.000 2.355 755 W HA -0.130 4.534 4.660 0.007 0.000 0.309 755 W C 0.725 177.300 176.519 0.094 0.000 1.206 755 W CA 1.347 58.800 57.345 0.180 0.000 1.284 755 W CB -0.926 28.694 29.460 0.267 0.000 1.145 755 W HN 0.568 nan 8.180 nan 0.000 0.502 756 D N -0.002 119.679 120.400 -1.199 0.000 2.325 756 D HA -0.056 4.589 4.640 0.007 0.000 0.225 756 D C 0.743 176.736 176.300 -0.511 0.000 1.096 756 D CA -0.004 53.337 54.000 -1.099 0.000 0.844 756 D CB -0.387 39.400 40.800 -1.689 0.000 0.925 756 D HN -0.099 nan 8.370 nan 0.000 0.513 757 R N -0.668 119.630 120.500 -0.338 0.000 3.875 757 R HA -0.152 4.192 4.340 0.007 0.000 0.321 757 R C 0.651 176.837 176.300 -0.191 0.000 1.196 757 R CA 1.366 57.338 56.100 -0.213 0.000 0.868 757 R CB -3.609 26.601 30.300 -0.150 0.000 1.333 757 R HN 0.550 nan 8.270 nan 0.000 0.522 758 T N -2.605 111.821 114.554 -0.214 0.000 3.269 758 T HA 0.566 4.920 4.350 0.007 0.000 0.269 758 T C 0.200 174.851 174.700 -0.083 0.000 0.993 758 T CA -0.331 61.686 62.100 -0.137 0.000 0.909 758 T CB 0.195 68.980 68.868 -0.139 0.000 1.115 758 T HN 0.177 nan 8.240 nan 0.000 0.543 759 L N 0.957 122.121 121.223 -0.099 0.000 2.643 759 L HA 0.659 5.003 4.340 0.007 0.000 0.257 759 L C -1.249 175.544 176.870 -0.128 0.000 0.922 759 L CA 0.032 54.846 54.840 -0.043 0.000 0.909 759 L CB 1.966 44.056 42.059 0.052 0.000 1.424 759 L HN 0.445 nan 8.230 nan 0.000 0.422 760 T N 1.711 116.241 114.554 -0.040 0.000 2.894 760 T HA 1.036 5.390 4.350 0.007 0.000 0.309 760 T C -0.798 173.964 174.700 0.103 0.000 1.208 760 T CA -0.188 61.883 62.100 -0.047 0.000 1.016 760 T CB 1.830 70.661 68.868 -0.062 0.000 1.192 760 T HN 1.656 nan 8.240 nan 0.000 0.491 761 A N 1.171 124.104 122.820 0.189 0.000 2.597 761 A HA 0.703 5.027 4.320 0.007 0.000 0.292 761 A C -1.583 176.108 177.584 0.179 0.000 1.057 761 A CA -0.977 51.176 52.037 0.194 0.000 0.674 761 A CB 1.509 20.693 19.000 0.308 0.000 1.278 761 A HN 0.796 nan 8.150 nan 0.000 0.416 762 Q N 1.034 120.863 119.800 0.048 0.000 2.398 762 Q HA 0.409 4.753 4.340 0.007 0.000 0.251 762 Q C -0.883 175.119 176.000 0.003 0.000 0.999 762 Q CA 0.011 55.829 55.803 0.025 0.000 0.874 762 Q CB 1.241 29.857 28.738 -0.203 0.000 1.215 762 Q HN 0.505 nan 8.270 nan 0.000 0.470 763 K N 1.044 121.470 120.400 0.043 0.000 2.185 763 K HA 0.676 5.000 4.320 0.007 0.000 0.269 763 K C -0.319 175.946 176.600 -0.557 0.000 0.987 763 K CA -0.479 55.658 56.287 -0.251 0.000 0.865 763 K CB 1.708 34.138 32.500 -0.117 0.000 1.090 763 K HN 0.601 nan 8.250 nan 0.000 0.450 764 G N 2.040 110.362 108.800 -0.798 0.000 2.563 764 G HA2 0.600 4.564 3.960 0.007 0.000 0.302 764 G HA3 0.600 4.564 3.960 0.007 0.000 0.302 764 G C -1.642 172.774 174.900 -0.806 0.000 1.301 764 G CA -0.606 44.145 45.100 -0.582 0.000 0.965 764 G HN 0.451 nan 8.290 nan 0.000 0.480 765 W N 1.056 122.351 121.300 -0.007 0.000 2.957 765 W HA 0.489 5.154 4.660 0.008 0.000 0.336 765 W C -1.201 175.234 176.519 -0.139 0.000 1.087 765 W CA -0.766 56.492 57.345 -0.144 0.000 1.235 765 W CB 2.495 31.886 29.460 -0.115 0.000 1.399 765 W HN 0.325 nan 8.180 nan 0.000 0.480 766 V N 4.557 124.458 119.914 -0.022 0.000 2.349 766 V HA 0.324 4.448 4.120 0.007 0.000 0.284 766 V C -0.096 175.911 176.094 -0.145 0.000 1.014 766 V CA -0.689 61.587 62.300 -0.040 0.000 0.826 766 V CB 1.623 33.437 31.823 -0.015 0.000 1.009 766 V HN 0.402 nan 8.190 nan 0.000 0.431 767 I N 5.871 126.329 120.570 -0.187 0.000 2.294 767 I HA 0.230 4.404 4.170 0.007 0.000 0.295 767 I C 0.172 176.080 176.117 -0.347 0.000 1.098 767 I CA 0.104 61.193 61.300 -0.353 0.000 1.277 767 I CB 0.652 38.327 38.000 -0.541 0.000 1.434 767 I HN 0.497 nan 8.210 nan 0.000 0.498 768 L N 7.639 128.686 121.223 -0.294 0.000 2.719 768 L HA 0.232 4.576 4.340 0.007 0.000 0.236 768 L C 1.352 177.887 176.870 -0.558 0.000 1.285 768 L CA 0.060 54.712 54.840 -0.313 0.000 1.222 768 L CB -0.955 41.084 42.059 -0.032 0.000 1.493 768 L HN 0.812 nan 8.230 nan 0.000 0.415 769 N N 1.844 119.995 118.700 -0.915 0.000 3.721 769 N HA -0.339 4.405 4.740 0.007 0.000 0.208 769 N C 0.709 176.187 175.510 -0.054 0.000 0.203 769 N CA 2.589 55.331 53.050 -0.515 0.000 2.712 769 N CB -0.671 37.478 38.487 -0.564 0.000 1.282 769 N HN 0.695 nan 8.380 nan 0.000 0.366 770 D N 1.283 121.674 120.400 -0.015 0.000 2.369 770 D HA 0.183 4.827 4.640 0.007 0.000 0.211 770 D C -0.286 176.090 176.300 0.127 0.000 1.077 770 D CA 0.427 54.524 54.000 0.163 0.000 0.842 770 D CB 0.161 41.025 40.800 0.106 0.000 0.947 770 D HN 0.532 nan 8.370 nan 0.000 0.509 771 K N 0.338 120.748 120.400 0.017 0.000 2.498 771 K HA 0.599 4.924 4.320 0.007 0.000 0.254 771 K C -0.972 175.557 176.600 -0.117 0.000 0.933 771 K CA -0.751 55.510 56.287 -0.045 0.000 0.806 771 K CB 2.640 35.119 32.500 -0.034 0.000 1.301 771 K HN -0.134 nan 8.250 nan 0.000 0.432 772 I N 2.077 122.538 120.570 -0.181 0.000 2.406 772 I HA 0.248 4.422 4.170 0.007 0.000 0.290 772 I C -0.499 175.441 176.117 -0.295 0.000 0.999 772 I CA -1.204 59.889 61.300 -0.345 0.000 1.124 772 I CB 1.997 39.599 38.000 -0.664 0.000 1.289 772 I HN 0.267 nan 8.210 nan 0.000 0.441 773 V N 6.383 126.130 119.914 -0.278 0.000 2.567 773 V HA 0.356 4.480 4.120 0.007 0.000 0.289 773 V C -0.532 175.321 176.094 -0.403 0.000 1.049 773 V CA -0.357 61.856 62.300 -0.145 0.000 0.969 773 V CB 1.156 33.003 31.823 0.039 0.000 0.995 773 V HN 0.362 nan 8.190 nan 0.000 0.471 774 F N 4.729 124.501 119.950 -0.296 0.000 2.477 774 F HA 0.680 5.211 4.527 0.007 0.000 0.335 774 F C -0.124 175.580 175.800 -0.161 0.000 1.130 774 F CA -0.462 57.272 58.000 -0.443 0.000 0.948 774 F CB 1.469 39.696 39.000 -1.290 0.000 1.154 774 F HN 0.148 nan 8.300 nan 0.000 0.439 775 L N 2.732 123.903 121.223 -0.086 0.000 2.381 775 L HA 0.898 5.242 4.340 0.007 0.000 0.268 775 L C -0.180 176.225 176.870 -0.776 0.000 0.997 775 L CA -0.912 53.785 54.840 -0.238 0.000 0.818 775 L CB 2.394 44.356 42.059 -0.162 0.000 1.310 775 L HN 0.745 nan 8.230 nan 0.000 0.416 776 G N 0.711 108.795 108.800 -1.194 0.000 2.741 776 G HA2 0.619 4.584 3.960 0.007 0.000 0.293 776 G HA3 0.619 4.584 3.960 0.007 0.000 0.293 776 G C -1.148 173.428 174.900 -0.540 0.000 1.457 776 G CA -0.284 44.048 45.100 -1.280 0.000 1.098 776 G HN 0.598 nan 8.290 nan 0.000 0.536 777 S N 0.751 116.281 115.700 -0.283 0.000 2.588 777 S HA 0.625 5.100 4.470 0.007 0.000 0.275 777 S C 0.073 174.604 174.600 -0.115 0.000 1.130 777 S CA -0.668 57.438 58.200 -0.158 0.000 0.855 777 S CB 1.558 64.696 63.200 -0.102 0.000 1.116 777 S HN 0.997 nan 8.310 nan 0.000 0.472 778 N N 0.056 118.702 118.700 -0.089 0.000 2.756 778 N HA -0.114 4.631 4.740 0.007 0.000 0.248 778 N C -0.992 174.496 175.510 -0.036 0.000 1.062 778 N CA 0.474 53.483 53.050 -0.068 0.000 0.696 778 N CB -1.107 37.322 38.487 -0.096 0.000 0.946 778 N HN 0.699 nan 8.380 nan 0.000 0.548 779 I N 1.912 122.459 120.570 -0.038 0.000 2.269 779 I HA 0.107 4.281 4.170 0.007 0.000 0.293 779 I C 0.399 176.527 176.117 0.017 0.000 1.106 779 I CA -0.102 61.202 61.300 0.008 0.000 1.248 779 I CB 0.245 38.223 38.000 -0.038 0.000 1.444 779 I HN -0.005 nan 8.210 nan 0.000 0.497 780 K N 3.942 124.357 120.400 0.025 0.000 2.182 780 K HA 0.324 4.648 4.320 0.007 0.000 0.262 780 K C 0.118 176.736 176.600 0.030 0.000 0.957 780 K CA -0.725 55.574 56.287 0.018 0.000 0.842 780 K CB 1.930 34.428 32.500 -0.002 0.000 1.099 780 K HN 0.316 nan 8.250 nan 0.000 0.438 781 N N 1.053 119.772 118.700 0.032 0.000 2.309 781 N HA -0.182 4.562 4.740 0.007 0.000 0.182 781 N C 0.092 175.604 175.510 0.004 0.000 1.018 781 N CA 1.942 55.011 53.050 0.031 0.000 0.876 781 N CB 0.226 38.733 38.487 0.033 0.000 0.972 781 N HN 0.860 nan 8.380 nan 0.000 0.434 782 T N -1.362 113.188 114.554 -0.006 0.000 12.862 782 T HA -0.246 4.108 4.350 0.007 0.000 0.413 782 T C 0.250 174.937 174.700 -0.021 0.000 1.489 782 T CA 1.782 63.869 62.100 -0.022 0.000 2.437 782 T CB -1.541 67.302 68.868 -0.041 0.000 2.763 782 T HN 0.732 nan 8.240 nan 0.000 0.666 783 N N 1.369 120.057 118.700 -0.020 0.000 2.238 783 N HA 0.451 5.195 4.740 0.007 0.000 0.235 783 N C 1.135 176.640 175.510 -0.008 0.000 1.209 783 N CA 1.245 54.283 53.050 -0.019 0.000 0.879 783 N CB 0.199 38.669 38.487 -0.029 0.000 1.136 783 N HN 1.074 nan 8.380 nan 0.000 0.517 784 G N 0.202 109.002 108.800 -0.000 0.000 2.200 784 G HA2 -0.297 3.667 3.960 0.007 0.000 0.267 784 G HA3 -0.297 3.667 3.960 0.007 0.000 0.267 784 G C -0.245 174.661 174.900 0.010 0.000 0.993 784 G CA 0.820 45.924 45.100 0.007 0.000 0.701 784 G HN 0.480 nan 8.290 nan 0.000 0.524 785 I N 0.926 121.501 120.570 0.008 0.000 2.412 785 I HA 0.729 4.903 4.170 0.007 0.000 0.296 785 I C 0.714 176.846 176.117 0.024 0.000 0.987 785 I CA -0.014 61.293 61.300 0.012 0.000 1.180 785 I CB 0.987 38.991 38.000 0.007 0.000 1.340 785 I HN 1.515 nan 8.210 nan 0.000 0.455 786 G N 5.845 114.661 108.800 0.027 0.000 2.655 786 G HA2 -0.149 3.815 3.960 0.007 0.000 0.680 786 G HA3 -0.149 3.815 3.960 0.007 0.000 0.680 786 G C -0.974 173.948 174.900 0.038 0.000 1.302 786 G CA -0.834 44.288 45.100 0.037 0.000 0.872 786 G HN 0.765 nan 8.290 nan 0.000 0.540 787 N N -0.706 118.018 118.700 0.040 0.000 2.448 787 N HA 0.523 5.267 4.740 0.007 0.000 0.279 787 N C -0.294 175.249 175.510 0.055 0.000 1.025 787 N CA -0.697 52.376 53.050 0.038 0.000 0.898 787 N CB 2.283 40.779 38.487 0.014 0.000 1.303 787 N HN 0.526 nan 8.380 nan 0.000 0.495 788 V N 1.708 121.671 119.914 0.082 0.000 2.509 788 V HA 0.641 4.765 4.120 0.007 0.000 0.284 788 V C 0.273 176.418 176.094 0.086 0.000 1.047 788 V CA -0.307 62.063 62.300 0.117 0.000 0.952 788 V CB 0.993 32.923 31.823 0.179 0.000 0.988 788 V HN 0.788 nan 8.190 nan 0.000 0.469 789 S N 2.833 118.551 115.700 0.030 0.000 2.596 789 S HA 0.685 5.159 4.470 0.007 0.000 0.270 789 S C -0.790 173.740 174.600 -0.117 0.000 1.155 789 S CA -0.693 57.413 58.200 -0.156 0.000 0.827 789 S CB 2.396 65.512 63.200 -0.140 0.000 1.130 789 S HN 0.569 nan 8.310 nan 0.000 0.467 790 T N 2.184 116.572 114.554 -0.276 0.000 2.824 790 T HA 0.548 4.902 4.350 0.007 0.000 0.282 790 T C -0.727 173.861 174.700 -0.188 0.000 0.993 790 T CA -0.377 61.631 62.100 -0.154 0.000 0.967 790 T CB 1.467 70.234 68.868 -0.169 0.000 0.960 790 T HN 0.698 nan 8.240 nan 0.000 0.441 791 T N 4.248 118.739 114.554 -0.105 0.000 2.738 791 T HA 0.238 4.592 4.350 0.007 0.000 0.294 791 T C 1.690 176.327 174.700 -0.104 0.000 0.914 791 T CA -0.250 61.791 62.100 -0.099 0.000 1.052 791 T CB 0.024 68.866 68.868 -0.043 0.000 0.897 791 T HN 0.455 nan 8.240 nan 0.000 0.522 792 I N 1.861 122.289 120.570 -0.237 0.000 2.315 792 I HA -0.034 4.140 4.170 0.007 0.000 0.248 792 I C 0.900 176.946 176.117 -0.119 0.000 1.117 792 I CA 1.258 62.331 61.300 -0.378 0.000 1.404 792 I CB 0.328 37.940 38.000 -0.645 0.000 1.071 792 I HN 0.555 nan 8.210 nan 0.000 0.419 793 D N -0.857 119.480 120.400 -0.106 0.000 2.738 793 D HA 0.105 4.749 4.640 0.007 0.000 0.229 793 D C -1.428 174.856 176.300 -0.027 0.000 1.200 793 D CA -0.431 53.581 54.000 0.020 0.000 0.746 793 D CB 1.069 41.911 40.800 0.071 0.000 1.597 793 D HN -0.089 nan 8.370 nan 0.000 0.471 794 Q N 2.888 122.701 119.800 0.022 0.000 2.558 794 Q HA 0.410 4.754 4.340 0.007 0.000 0.252 794 Q C -1.174 174.971 176.000 0.242 0.000 1.015 794 Q CA -0.680 55.181 55.803 0.097 0.000 0.720 794 Q CB 1.126 29.887 28.738 0.039 0.000 1.215 794 Q HN 0.256 nan 8.270 nan 0.000 0.500 795 R N 2.232 122.862 120.500 0.217 0.000 2.338 795 R HA 0.285 4.629 4.340 0.007 0.000 0.317 795 R C -0.822 175.570 176.300 0.153 0.000 0.968 795 R CA -0.427 55.819 56.100 0.243 0.000 0.849 795 R CB 1.083 31.422 30.300 0.065 0.000 1.128 795 R HN 0.249 nan 8.270 nan 0.000 0.448 796 K N 2.765 123.147 120.400 -0.030 0.000 2.416 796 K HA -0.019 4.305 4.320 0.007 0.000 0.283 796 K C -0.699 175.764 176.600 -0.228 0.000 1.037 796 K CA 0.015 55.852 56.287 -0.751 0.000 0.995 796 K CB 0.563 32.389 32.500 -1.122 0.000 0.938 796 K HN 0.580 nan 8.250 nan 0.000 0.475 797 D N 2.594 122.874 120.400 -0.200 0.000 2.304 797 D HA 0.006 4.650 4.640 0.007 0.000 0.250 797 D C -0.750 175.473 176.300 -0.129 0.000 1.107 797 D CA -0.167 53.818 54.000 -0.025 0.000 0.885 797 D CB 1.015 41.836 40.800 0.034 0.000 1.192 797 D HN 0.429 nan 8.370 nan 0.000 0.436 798 D N 1.400 121.699 120.400 -0.167 0.000 2.374 798 D HA -0.026 4.618 4.640 0.007 0.000 0.240 798 D C 1.343 177.573 176.300 -0.116 0.000 1.229 798 D CA -0.056 53.846 54.000 -0.162 0.000 0.895 798 D CB 0.663 41.339 40.800 -0.208 0.000 1.046 798 D HN 0.329 nan 8.370 nan 0.000 0.498 799 S N 4.250 119.901 115.700 -0.082 0.000 2.389 799 S HA -0.308 4.166 4.470 0.007 0.000 0.231 799 S C 1.513 176.086 174.600 -0.045 0.000 1.052 799 S CA 1.130 59.300 58.200 -0.050 0.000 1.053 799 S CB -0.155 63.027 63.200 -0.030 0.000 0.886 799 S HN 0.548 nan 8.310 nan 0.000 0.456 800 K N 1.036 121.406 120.400 -0.050 0.000 1.973 800 K HA 0.013 4.337 4.320 0.007 0.000 0.210 800 K C 0.563 177.130 176.600 -0.056 0.000 1.045 800 K CA 1.369 57.630 56.287 -0.042 0.000 0.937 800 K CB -0.731 31.748 32.500 -0.035 0.000 0.721 800 K HN 0.290 nan 8.250 nan 0.000 0.438 801 T N 4.266 118.767 114.554 -0.089 0.000 3.281 801 T HA 0.242 4.596 4.350 0.007 0.000 0.359 801 T C -2.617 171.988 174.700 -0.158 0.000 1.459 801 T CA -1.525 60.509 62.100 -0.109 0.000 1.114 801 T CB 0.928 69.718 68.868 -0.130 0.000 1.162 801 T HN -0.022 nan 8.240 nan 0.000 0.665 802 P HA 0.119 nan 4.420 nan 0.000 0.268 802 P C -0.342 176.927 177.300 -0.051 0.000 1.205 802 P CA -0.448 62.608 63.100 -0.073 0.000 0.771 802 P CB 0.378 32.066 31.700 -0.020 0.000 0.858 803 Y N 0.661 120.939 120.300 -0.037 0.000 2.379 803 Y HA 0.208 4.762 4.550 0.007 0.000 0.337 803 Y C 1.179 177.062 175.900 -0.029 0.000 1.238 803 Y CA 0.791 58.869 58.100 -0.036 0.000 1.405 803 Y CB 0.343 38.770 38.460 -0.054 0.000 1.310 803 Y HN 0.199 nan 8.280 nan 0.000 0.569 804 T N 2.592 117.281 114.554 0.225 0.000 2.791 804 T HA 0.294 4.648 4.350 0.007 0.000 0.288 804 T C -0.522 174.150 174.700 -0.047 0.000 0.999 804 T CA -0.817 61.309 62.100 0.043 0.000 0.952 804 T CB 0.440 69.350 68.868 0.070 0.000 0.938 804 T HN 0.497 nan 8.240 nan 0.000 0.444 805 T N 3.968 118.421 114.554 -0.169 0.000 2.817 805 T HA 0.479 4.833 4.350 0.007 0.000 0.293 805 T C -0.771 173.716 174.700 -0.354 0.000 0.964 805 T CA -0.276 61.727 62.100 -0.161 0.000 1.085 805 T CB 0.274 69.077 68.868 -0.108 0.000 0.921 805 T HN 0.393 nan 8.240 nan 0.000 0.502 806 Y N 0.804 121.118 120.300 0.024 0.000 2.485 806 Y HA 0.635 5.189 4.550 0.007 0.000 0.345 806 Y C -0.204 175.675 175.900 -0.035 0.000 0.998 806 Y CA -1.071 57.050 58.100 0.035 0.000 1.059 806 Y CB 1.882 40.423 38.460 0.136 0.000 1.234 806 Y HN 0.317 nan 8.280 nan 0.000 0.461 807 V N 1.999 121.940 119.914 0.046 0.000 2.668 807 V HA 0.234 4.358 4.120 0.007 0.000 0.304 807 V C -0.385 175.716 176.094 0.012 0.000 1.071 807 V CA -1.653 60.584 62.300 -0.106 0.000 0.894 807 V CB 1.573 33.058 31.823 -0.564 0.000 1.008 807 V HN 0.976 nan 8.190 nan 0.000 0.425 808 N N 3.641 122.385 118.700 0.073 0.000 2.708 808 N HA -0.281 4.463 4.740 0.007 0.000 0.251 808 N C 1.171 176.732 175.510 0.085 0.000 1.017 808 N CA 0.708 53.808 53.050 0.083 0.000 0.742 808 N CB -0.562 37.957 38.487 0.052 0.000 0.943 808 N HN 1.421 nan 8.380 nan 0.000 0.539 809 G N -1.114 107.761 108.800 0.126 0.000 2.527 809 G HA2 -0.344 3.620 3.960 0.007 0.000 0.218 809 G HA3 -0.344 3.620 3.960 0.007 0.000 0.218 809 G C 0.289 175.304 174.900 0.192 0.000 1.177 809 G CA 0.736 45.899 45.100 0.105 0.000 0.695 809 G HN 0.396 nan 8.290 nan 0.000 0.517 810 K N 1.305 121.810 120.400 0.176 0.000 2.179 810 K HA 0.628 4.952 4.320 0.007 0.000 0.238 810 K C 0.752 177.451 176.600 0.166 0.000 1.033 810 K CA 0.389 56.788 56.287 0.186 0.000 0.926 810 K CB 0.633 33.190 32.500 0.095 0.000 1.151 810 K HN 0.437 nan 8.250 nan 0.000 0.492 811 T N -1.022 113.540 114.554 0.013 0.000 2.907 811 T HA 0.603 4.957 4.350 0.007 0.000 0.284 811 T C 0.130 174.766 174.700 -0.107 0.000 1.004 811 T CA -0.944 61.021 62.100 -0.225 0.000 1.063 811 T CB 0.287 68.993 68.868 -0.270 0.000 0.992 811 T HN 0.508 nan 8.240 nan 0.000 0.483 812 I N -0.881 119.613 120.570 -0.127 0.000 2.569 812 I HA 0.717 4.891 4.170 0.007 0.000 0.296 812 I C -1.256 174.855 176.117 -0.009 0.000 1.028 812 I CA -1.068 60.234 61.300 0.003 0.000 1.082 812 I CB 2.108 40.160 38.000 0.087 0.000 1.264 812 I HN 0.607 nan 8.210 nan 0.000 0.429 813 D N 6.095 126.513 120.400 0.029 0.000 2.427 813 D HA 0.527 5.171 4.640 0.007 0.000 0.226 813 D C -0.999 175.317 176.300 0.027 0.000 1.076 813 D CA -0.217 53.790 54.000 0.012 0.000 0.849 813 D CB 1.155 41.960 40.800 0.007 0.000 1.052 813 D HN 0.665 nan 8.370 nan 0.000 0.515 814 L N 2.954 124.190 121.223 0.022 0.000 2.491 814 L HA 0.433 4.777 4.340 0.007 0.000 0.264 814 L C 1.164 178.042 176.870 0.013 0.000 1.053 814 L CA -1.114 53.740 54.840 0.024 0.000 0.858 814 L CB 0.794 42.874 42.059 0.034 0.000 1.519 814 L HN 0.516 nan 8.230 nan 0.000 0.508 815 K N 0.112 120.519 120.400 0.012 0.000 3.445 815 K HA -0.223 4.101 4.320 0.007 0.000 0.316 815 K C -0.346 176.257 176.600 0.004 0.000 1.278 815 K CA 1.133 57.425 56.287 0.009 0.000 0.976 815 K CB -0.370 32.137 32.500 0.012 0.000 1.238 815 K HN 0.465 nan 8.250 nan 0.000 0.430 816 Q N -0.485 119.317 119.800 0.004 0.000 2.849 816 Q HA 0.426 4.770 4.340 0.007 0.000 0.289 816 Q C 0.382 176.380 176.000 -0.003 0.000 1.012 816 Q CA 0.632 56.435 55.803 0.001 0.000 0.899 816 Q CB 0.839 29.578 28.738 0.002 0.000 1.235 816 Q HN 0.405 nan 8.270 nan 0.000 0.457 817 A N 0.503 123.319 122.820 -0.007 0.000 5.135 817 A HA -0.285 4.039 4.320 0.007 0.000 0.292 817 A C 1.138 178.709 177.584 -0.020 0.000 2.079 817 A CA 1.229 53.258 52.037 -0.014 0.000 0.716 817 A CB -1.728 17.263 19.000 -0.015 0.000 1.208 817 A HN 0.479 nan 8.150 nan 0.000 0.351 818 S N -0.899 114.784 115.700 -0.028 0.000 2.106 818 S HA 0.399 4.873 4.470 0.007 0.000 0.185 818 S C 0.951 175.524 174.600 -0.046 0.000 1.399 818 S CA 1.520 59.691 58.200 -0.048 0.000 1.494 818 S CB -0.085 63.077 63.200 -0.062 0.000 0.576 818 S HN 2.333 nan 8.310 nan 0.000 0.391 819 S N 0.577 116.229 115.700 -0.080 0.000 3.681 819 S HA -0.097 4.377 4.470 0.007 0.000 0.473 819 S C 0.304 174.855 174.600 -0.083 0.000 0.830 819 S CA 0.356 58.515 58.200 -0.069 0.000 1.355 819 S CB -1.027 62.215 63.200 0.070 0.000 0.892 819 S HN 0.601 nan 8.310 nan 0.000 0.649 820 Q N -0.005 119.649 119.800 -0.245 0.000 2.215 820 Q HA 0.211 4.555 4.340 0.007 0.000 0.257 820 Q C 0.495 176.345 176.000 -0.250 0.000 0.792 820 Q CA -0.065 55.641 55.803 -0.162 0.000 0.958 820 Q CB 0.780 29.452 28.738 -0.110 0.000 1.158 820 Q HN 0.789 nan 8.270 nan 0.000 0.490 821 Q N -0.029 119.461 119.800 -0.518 0.000 2.305 821 Q HA 0.520 4.864 4.340 0.007 0.000 0.271 821 Q C -1.770 173.808 176.000 -0.703 0.000 1.046 821 Q CA -0.394 55.157 55.803 -0.421 0.000 0.798 821 Q CB 1.611 30.210 28.738 -0.232 0.000 1.286 821 Q HN -0.065 nan 8.270 nan 0.000 0.435 822 F N 1.700 121.603 119.950 -0.078 0.000 2.499 822 F HA 0.341 4.873 4.527 0.007 0.000 0.333 822 F C 0.277 176.023 175.800 -0.090 0.000 1.138 822 F CA -0.741 57.217 58.000 -0.071 0.000 0.945 822 F CB 2.104 41.065 39.000 -0.064 0.000 1.181 822 F HN 0.394 nan 8.300 nan 0.000 0.435 823 T N -1.332 113.261 114.554 0.065 0.000 2.909 823 T HA 0.324 4.678 4.350 0.007 0.000 0.289 823 T C -0.314 174.404 174.700 0.029 0.000 1.005 823 T CA -0.661 61.449 62.100 0.017 0.000 1.084 823 T CB 1.112 69.979 68.868 -0.002 0.000 0.975 823 T HN 0.591 nan 8.240 nan 0.000 0.509 824 D N 0.592 120.990 120.400 -0.004 0.000 2.705 824 D HA -0.119 4.525 4.640 0.007 0.000 0.240 824 D C -0.446 175.852 176.300 -0.003 0.000 1.137 824 D CA 0.870 54.870 54.000 0.001 0.000 0.677 824 D CB -1.493 39.321 40.800 0.024 0.000 1.049 824 D HN 0.757 nan 8.370 nan 0.000 0.427 825 T N -0.039 114.470 114.554 -0.074 0.000 2.743 825 T HA 0.270 4.624 4.350 0.007 0.000 0.293 825 T C 1.473 176.142 174.700 -0.051 0.000 0.945 825 T CA -0.435 61.608 62.100 -0.095 0.000 1.030 825 T CB 2.254 70.982 68.868 -0.233 0.000 0.912 825 T HN 0.080 nan 8.240 nan 0.000 0.483 826 K N 1.624 122.094 120.400 0.118 0.000 2.287 826 K HA 0.172 4.496 4.320 0.007 0.000 0.199 826 K C 0.877 177.724 176.600 0.410 0.000 1.061 826 K CA 0.082 56.514 56.287 0.243 0.000 0.976 826 K CB 0.504 33.080 32.500 0.128 0.000 0.898 826 K HN 0.651 nan 8.250 nan 0.000 0.492 827 S N -0.473 115.431 115.700 0.341 0.000 2.556 827 S HA 0.573 5.048 4.470 0.007 0.000 0.271 827 S C -1.249 173.588 174.600 0.395 0.000 1.135 827 S CA -0.818 57.614 58.200 0.386 0.000 0.858 827 S CB 2.125 65.492 63.200 0.277 0.000 1.114 827 S HN -0.162 nan 8.310 nan 0.000 0.468 828 V N 3.061 123.251 119.914 0.461 0.000 2.623 828 V HA 0.670 4.794 4.120 0.007 0.000 0.304 828 V C -1.441 174.863 176.094 0.351 0.000 1.054 828 V CA -0.573 61.930 62.300 0.339 0.000 0.882 828 V CB 1.454 33.431 31.823 0.256 0.000 1.002 828 V HN 0.903 nan 8.190 nan 0.000 0.424 829 F N 4.825 124.804 119.950 0.048 0.000 2.529 829 F HA 0.717 5.248 4.527 0.006 0.000 0.320 829 F C -0.778 175.006 175.800 -0.026 0.000 1.118 829 F CA -0.769 57.122 58.000 -0.182 0.000 0.915 829 F CB 1.722 40.528 39.000 -0.323 0.000 1.161 829 F HN 0.311 nan 8.300 nan 0.000 0.445 830 L N 5.368 126.145 121.223 -0.744 0.000 2.280 830 L HA 0.458 4.802 4.340 0.007 0.000 0.287 830 L C -0.611 175.937 176.870 -0.536 0.000 1.023 830 L CA -0.468 54.008 54.840 -0.608 0.000 0.819 830 L CB 1.623 43.093 42.059 -0.983 0.000 1.212 830 L HN 0.624 nan 8.230 nan 0.000 0.420 831 E N 2.851 123.109 120.200 0.096 0.000 2.212 831 E HA 0.562 4.916 4.350 0.007 0.000 0.268 831 E C -1.358 175.440 176.600 0.330 0.000 0.902 831 E CA -0.366 56.192 56.400 0.263 0.000 0.779 831 E CB 2.312 32.323 29.700 0.519 0.000 1.172 831 E HN 0.466 nan 8.360 nan 0.000 0.409 832 S N 2.477 118.265 115.700 0.147 0.000 2.599 832 S HA 0.330 4.804 4.470 0.007 0.000 0.287 832 S C 0.360 174.961 174.600 0.002 0.000 1.105 832 S CA -0.707 57.476 58.200 -0.029 0.000 0.899 832 S CB 1.387 64.401 63.200 -0.309 0.000 1.100 832 S HN 0.536 nan 8.310 nan 0.000 0.482 833 K N 0.973 121.360 120.400 -0.022 0.000 2.155 833 K HA 0.154 4.478 4.320 0.007 0.000 0.203 833 K C 0.164 176.755 176.600 -0.016 0.000 1.052 833 K CA 0.546 56.832 56.287 -0.001 0.000 0.948 833 K CB -0.270 32.227 32.500 -0.005 0.000 0.728 833 K HN 0.553 nan 8.250 nan 0.000 0.448 834 E N 2.875 123.044 120.200 -0.051 0.000 2.366 834 E HA 0.076 4.430 4.350 0.007 0.000 0.266 834 E C -2.230 174.351 176.600 -0.030 0.000 1.015 834 E CA -1.893 54.478 56.400 -0.048 0.000 0.906 834 E CB 0.637 30.286 29.700 -0.085 0.000 0.979 834 E HN 0.070 nan 8.360 nan 0.000 0.443 835 P HA 0.036 nan 4.420 nan 0.000 0.272 835 P C 0.448 177.755 177.300 0.011 0.000 1.223 835 P CA 0.136 63.242 63.100 0.011 0.000 0.784 835 P CB 0.545 32.257 31.700 0.021 0.000 0.923 836 G N 2.013 110.826 108.800 0.022 0.000 2.176 836 G HA2 -0.246 3.718 3.960 0.007 0.000 0.252 836 G HA3 -0.246 3.718 3.960 0.007 0.000 0.252 836 G C 0.928 175.831 174.900 0.005 0.000 1.024 836 G CA -0.106 45.013 45.100 0.031 0.000 0.755 836 G HN 0.525 nan 8.290 nan 0.000 0.507 837 R N -0.659 119.829 120.500 -0.019 0.000 2.225 837 R HA 0.103 4.448 4.340 0.007 0.000 0.194 837 R C 0.879 177.202 176.300 0.038 0.000 0.949 837 R CA 0.133 56.215 56.100 -0.031 0.000 1.088 837 R CB -0.621 29.585 30.300 -0.157 0.000 1.106 837 R HN 0.403 nan 8.270 nan 0.000 0.566 838 N N 1.722 120.410 118.700 -0.021 0.000 2.232 838 N HA -0.041 4.703 4.740 0.007 0.000 0.251 838 N C -0.258 175.009 175.510 -0.405 0.000 1.242 838 N CA 0.948 53.867 53.050 -0.217 0.000 0.837 838 N CB 0.367 38.746 38.487 -0.181 0.000 1.079 838 N HN 0.119 nan 8.380 nan 0.000 0.461 839 I N -0.213 119.900 120.570 -0.761 0.000 2.610 839 I HA 0.460 4.634 4.170 0.007 0.000 0.289 839 I C 0.270 175.677 176.117 -1.184 0.000 1.163 839 I CA -0.888 59.931 61.300 -0.803 0.000 1.044 839 I CB 2.297 39.929 38.000 -0.614 0.000 1.251 839 I HN 0.452 nan 8.210 nan 0.000 0.424 840 G N 4.551 112.714 108.800 -1.062 0.000 2.524 840 G HA2 0.770 4.734 3.960 0.007 0.000 0.310 840 G HA3 0.770 4.734 3.960 0.007 0.000 0.310 840 G C -1.924 172.537 174.900 -0.730 0.000 1.279 840 G CA -0.410 44.111 45.100 -0.965 0.000 0.974 840 G HN 0.396 nan 8.290 nan 0.000 0.484 841 Y N 0.142 120.439 120.300 -0.006 0.000 2.391 841 Y HA 0.628 5.183 4.550 0.008 0.000 0.341 841 Y C 0.021 175.824 175.900 -0.161 0.000 0.965 841 Y CA -1.105 56.917 58.100 -0.129 0.000 1.067 841 Y CB 2.131 40.384 38.460 -0.345 0.000 1.199 841 Y HN 0.323 nan 8.280 nan 0.000 0.450 842 I N 4.055 124.500 120.570 -0.207 0.000 2.436 842 I HA 0.412 4.586 4.170 0.007 0.000 0.289 842 I C -1.273 174.509 176.117 -0.558 0.000 1.010 842 I CA -0.693 60.437 61.300 -0.284 0.000 1.098 842 I CB 1.308 39.166 38.000 -0.236 0.000 1.266 842 I HN 0.369 nan 8.210 nan 0.000 0.434 843 F N 4.877 124.779 119.950 -0.079 0.000 2.415 843 F HA 0.382 4.914 4.527 0.008 0.000 0.348 843 F C 0.722 176.452 175.800 -0.115 0.000 1.119 843 F CA -0.635 57.316 58.000 -0.082 0.000 1.069 843 F CB 0.584 39.611 39.000 0.046 0.000 1.124 843 F HN 0.335 nan 8.300 nan 0.000 0.472 844 F N 0.745 120.862 119.950 0.279 0.000 2.250 844 F HA -0.099 4.432 4.527 0.007 0.000 0.301 844 F C 1.004 176.908 175.800 0.174 0.000 1.077 844 F CA 1.008 59.116 58.000 0.181 0.000 1.348 844 F CB -0.438 38.652 39.000 0.149 0.000 1.040 844 F HN 0.130 nan 8.300 nan 0.000 0.509 845 K N 0.148 120.762 120.400 0.357 0.000 2.426 845 K HA 0.245 4.569 4.320 0.007 0.000 0.251 845 K C -0.953 175.759 176.600 0.185 0.000 0.941 845 K CA -0.753 55.676 56.287 0.238 0.000 0.808 845 K CB 1.094 33.722 32.500 0.213 0.000 1.265 845 K HN -0.046 nan 8.250 nan 0.000 0.432 846 N N 0.866 119.634 118.700 0.114 0.000 2.411 846 N HA 0.033 4.777 4.740 0.007 0.000 0.265 846 N C -0.618 174.882 175.510 -0.018 0.000 1.266 846 N CA 0.523 53.599 53.050 0.044 0.000 0.889 846 N CB 0.447 38.958 38.487 0.040 0.000 1.069 846 N HN 0.365 nan 8.380 nan 0.000 0.476 847 S N 0.760 116.359 115.700 -0.169 0.000 2.664 847 S HA 0.348 4.822 4.470 0.007 0.000 0.304 847 S C -0.070 174.394 174.600 -0.227 0.000 1.099 847 S CA -0.736 57.332 58.200 -0.220 0.000 1.003 847 S CB 1.890 64.842 63.200 -0.413 0.000 1.092 847 S HN 0.343 nan 8.310 nan 0.000 0.525 848 T N 2.413 116.878 114.554 -0.147 0.000 2.747 848 T HA 0.424 4.778 4.350 0.007 0.000 0.301 848 T C -0.566 174.044 174.700 -0.150 0.000 0.952 848 T CA -0.131 61.907 62.100 -0.104 0.000 0.983 848 T CB -0.340 68.494 68.868 -0.057 0.000 0.930 848 T HN 0.195 nan 8.240 nan 0.000 0.494 849 I N 3.556 124.041 120.570 -0.141 0.000 2.460 849 I HA 0.356 4.530 4.170 0.007 0.000 0.298 849 I C 0.135 176.257 176.117 0.008 0.000 0.989 849 I CA -1.259 59.957 61.300 -0.140 0.000 1.173 849 I CB 1.678 39.532 38.000 -0.244 0.000 1.338 849 I HN 0.465 nan 8.210 nan 0.000 0.456 850 D N 6.971 127.344 120.400 -0.044 0.000 2.233 850 D HA 0.511 5.155 4.640 0.007 0.000 0.240 850 D C -0.496 175.809 176.300 0.009 0.000 1.074 850 D CA 0.039 54.026 54.000 -0.021 0.000 0.838 850 D CB 1.700 42.456 40.800 -0.074 0.000 1.124 850 D HN 0.232 nan 8.370 nan 0.000 0.475 851 I N 1.961 122.579 120.570 0.080 0.000 2.468 851 I HA 0.211 4.385 4.170 0.007 0.000 0.285 851 I C -0.214 175.933 176.117 0.050 0.000 1.039 851 I CA -0.543 60.804 61.300 0.078 0.000 1.074 851 I CB 2.100 40.210 38.000 0.182 0.000 1.228 851 I HN 0.130 nan 8.210 nan 0.000 0.436 852 E N 5.648 125.853 120.200 0.009 0.000 2.222 852 E HA 0.599 4.954 4.350 0.007 0.000 0.267 852 E C -0.904 175.707 176.600 0.017 0.000 0.884 852 E CA -0.927 55.476 56.400 0.004 0.000 0.764 852 E CB 2.031 31.721 29.700 -0.017 0.000 1.169 852 E HN 0.480 nan 8.360 nan 0.000 0.413 853 R N 3.802 124.316 120.500 0.025 0.000 2.480 853 R HA 0.479 4.823 4.340 0.007 0.000 0.306 853 R C -1.579 174.744 176.300 0.038 0.000 0.958 853 R CA -0.518 55.606 56.100 0.040 0.000 0.861 853 R CB 0.878 31.199 30.300 0.036 0.000 1.171 853 R HN 0.488 nan 8.270 nan 0.000 0.445 854 K N 2.052 122.488 120.400 0.060 0.000 2.639 854 K HA 0.185 4.509 4.320 0.007 0.000 0.279 854 K C -1.549 175.101 176.600 0.083 0.000 0.976 854 K CA -0.895 55.422 56.287 0.049 0.000 0.861 854 K CB 1.242 33.754 32.500 0.020 0.000 1.436 854 K HN 0.526 nan 8.250 nan 0.000 0.400 855 E N 2.089 122.325 120.200 0.060 0.000 2.217 855 E HA 0.062 4.416 4.350 0.007 0.000 0.279 855 E C -0.928 175.706 176.600 0.055 0.000 1.068 855 E CA 0.165 56.611 56.400 0.076 0.000 0.882 855 E CB 0.718 30.444 29.700 0.043 0.000 1.039 855 E HN 0.367 nan 8.360 nan 0.000 0.418 856 Q N 2.878 122.730 119.800 0.085 0.000 2.256 856 Q HA 0.370 4.714 4.340 0.007 0.000 0.257 856 Q C -0.296 175.687 176.000 -0.028 0.000 0.936 856 Q CA -0.802 54.983 55.803 -0.031 0.000 0.903 856 Q CB 1.731 30.353 28.738 -0.194 0.000 1.263 856 Q HN 0.656 nan 8.270 nan 0.000 0.440 857 T N -1.266 113.251 114.554 -0.061 0.000 2.949 857 T HA 0.908 5.262 4.350 0.007 0.000 0.287 857 T C 0.184 174.818 174.700 -0.110 0.000 1.034 857 T CA -0.248 61.813 62.100 -0.064 0.000 1.018 857 T CB 1.939 70.781 68.868 -0.044 0.000 1.135 857 T HN 0.758 nan 8.240 nan 0.000 0.532 858 G N -0.553 108.175 108.800 -0.119 0.000 2.489 858 G HA2 0.557 4.521 3.960 0.007 0.000 0.305 858 G HA3 0.557 4.521 3.960 0.007 0.000 0.305 858 G C -1.383 173.429 174.900 -0.147 0.000 1.311 858 G CA -0.620 44.388 45.100 -0.153 0.000 0.813 858 G HN 0.878 nan 8.290 nan 0.000 0.480 859 T N -0.488 113.970 114.554 -0.160 0.000 2.993 859 T HA 0.343 4.697 4.350 0.007 0.000 0.312 859 T C -0.026 174.618 174.700 -0.093 0.000 1.115 859 T CA -0.366 61.680 62.100 -0.091 0.000 1.027 859 T CB 1.483 70.336 68.868 -0.026 0.000 1.116 859 T HN 0.478 nan 8.240 nan 0.000 0.464 860 W N 2.181 123.467 121.300 -0.023 0.000 2.358 860 W HA -0.076 4.587 4.660 0.006 0.000 0.303 860 W C 2.359 178.871 176.519 -0.012 0.000 1.208 860 W CA 1.241 58.590 57.345 0.006 0.000 1.274 860 W CB -0.046 29.434 29.460 0.035 0.000 1.138 860 W HN 0.759 nan 8.180 nan 0.000 0.515 861 N N 0.085 118.912 118.700 0.212 0.000 2.289 861 N HA -0.216 4.528 4.740 0.007 0.000 0.184 861 N C 1.875 177.418 175.510 0.055 0.000 1.016 861 N CA 1.931 55.051 53.050 0.116 0.000 0.872 861 N CB -0.418 38.117 38.487 0.080 0.000 0.973 861 N HN 0.019 nan 8.380 nan 0.000 0.433 862 S N 0.221 115.931 115.700 0.017 0.000 2.382 862 S HA -0.159 4.315 4.470 0.007 0.000 0.228 862 S C 1.767 176.331 174.600 -0.060 0.000 1.027 862 S CA 1.305 59.488 58.200 -0.027 0.000 0.991 862 S CB -0.695 62.469 63.200 -0.061 0.000 0.823 862 S HN 0.539 nan 8.310 nan 0.000 0.469 863 I N -1.243 119.281 120.570 -0.077 0.000 3.860 863 I HA 0.454 4.628 4.170 0.007 0.000 0.319 863 I C 0.428 176.518 176.117 -0.045 0.000 1.279 863 I CA -0.143 61.082 61.300 -0.125 0.000 1.220 863 I CB -0.358 37.521 38.000 -0.203 0.000 1.027 863 I HN 0.205 nan 8.210 nan 0.000 0.428 864 N N 0.956 119.677 118.700 0.036 0.000 2.640 864 N HA 0.264 5.008 4.740 0.007 0.000 0.262 864 N C 0.519 176.062 175.510 0.056 0.000 1.174 864 N CA -0.473 52.612 53.050 0.059 0.000 0.791 864 N CB 0.620 39.184 38.487 0.128 0.000 1.279 864 N HN -0.102 nan 8.380 nan 0.000 0.535 865 R N 0.340 120.860 120.500 0.033 0.000 2.303 865 R HA -0.048 4.296 4.340 0.007 0.000 0.225 865 R C 1.020 177.337 176.300 0.029 0.000 1.114 865 R CA 1.023 57.142 56.100 0.032 0.000 1.007 865 R CB -0.686 29.632 30.300 0.031 0.000 0.861 865 R HN 0.517 nan 8.270 nan 0.000 0.471 866 T N -0.359 114.211 114.554 0.026 0.000 3.014 866 T HA -0.052 4.303 4.350 0.007 0.000 0.263 866 T C 1.732 176.441 174.700 0.014 0.000 1.078 866 T CA 1.152 63.259 62.100 0.011 0.000 1.135 866 T CB -0.039 68.828 68.868 -0.002 0.000 0.895 866 T HN 0.275 nan 8.240 nan 0.000 0.480 867 S N 1.186 116.910 115.700 0.040 0.000 2.392 867 S HA -0.225 4.249 4.470 0.007 0.000 0.232 867 S C 1.317 175.937 174.600 0.034 0.000 1.041 867 S CA 1.646 59.877 58.200 0.051 0.000 1.026 867 S CB -0.365 62.922 63.200 0.146 0.000 0.845 867 S HN 0.265 nan 8.310 nan 0.000 0.465 868 K N 1.358 121.780 120.400 0.036 0.000 2.960 868 K HA -0.184 4.140 4.320 0.007 0.000 0.259 868 K C -0.317 176.301 176.600 0.030 0.000 1.025 868 K CA 0.970 57.272 56.287 0.025 0.000 0.756 868 K CB -2.553 29.951 32.500 0.006 0.000 1.221 868 K HN 0.773 nan 8.250 nan 0.000 0.483 869 N N -0.133 118.602 118.700 0.060 0.000 2.682 869 N HA 0.137 4.881 4.740 0.007 0.000 0.252 869 N C -0.235 175.332 175.510 0.095 0.000 1.081 869 N CA 0.152 53.243 53.050 0.070 0.000 0.844 869 N CB 0.650 39.183 38.487 0.078 0.000 1.167 869 N HN 0.112 nan 8.380 nan 0.000 0.523 870 T N -0.927 113.661 114.554 0.057 0.000 3.206 870 T HA 0.103 4.457 4.350 0.007 0.000 0.253 870 T C 0.298 175.015 174.700 0.029 0.000 1.042 870 T CA -0.392 61.734 62.100 0.043 0.000 0.931 870 T CB -0.196 68.688 68.868 0.028 0.000 1.029 870 T HN 0.222 nan 8.240 nan 0.000 0.564 871 S N 3.194 118.916 115.700 0.035 0.000 2.429 871 S HA 0.320 4.794 4.470 0.007 0.000 0.292 871 S C 0.518 175.113 174.600 -0.008 0.000 1.183 871 S CA -0.955 57.253 58.200 0.014 0.000 1.088 871 S CB -0.539 62.670 63.200 0.016 0.000 1.018 871 S HN 0.658 nan 8.310 nan 0.000 0.511 872 I N 3.833 124.392 120.570 -0.019 0.000 2.683 872 I HA 0.329 4.503 4.170 0.007 0.000 0.286 872 I C -0.030 176.050 176.117 -0.062 0.000 1.175 872 I CA -0.106 61.169 61.300 -0.041 0.000 1.429 872 I CB 0.154 38.135 38.000 -0.031 0.000 1.371 872 I HN 0.378 nan 8.210 nan 0.000 0.569 873 V N 3.494 123.349 119.914 -0.099 0.000 3.046 873 V HA 0.987 5.111 4.120 0.007 0.000 0.316 873 V C -0.086 175.976 176.094 -0.054 0.000 1.104 873 V CA -0.005 62.226 62.300 -0.115 0.000 1.006 873 V CB 1.093 32.738 31.823 -0.296 0.000 1.058 873 V HN 1.186 nan 8.190 nan 0.000 0.440 874 S N 1.067 116.771 115.700 0.007 0.000 2.579 874 S HA 0.765 5.239 4.470 0.007 0.000 0.272 874 S C -1.221 173.434 174.600 0.091 0.000 1.141 874 S CA -0.786 57.439 58.200 0.042 0.000 0.843 874 S CB 1.829 65.045 63.200 0.027 0.000 1.122 874 S HN 0.999 nan 8.310 nan 0.000 0.468 875 N N 0.810 119.594 118.700 0.141 0.000 2.371 875 N HA 0.563 5.307 4.740 0.007 0.000 0.280 875 N C -3.271 172.321 175.510 0.136 0.000 1.084 875 N CA -1.240 51.859 53.050 0.081 0.000 0.892 875 N CB 2.964 41.456 38.487 0.009 0.000 1.653 875 N HN 0.475 nan 8.380 nan 0.000 0.480 876 P HA 0.327 nan 4.420 nan 0.000 0.285 876 P C -1.269 176.011 177.300 -0.033 0.000 1.259 876 P CA 0.068 63.202 63.100 0.056 0.000 0.794 876 P CB 0.610 32.313 31.700 0.006 0.000 0.940 877 F N 1.484 121.420 119.950 -0.022 0.000 2.593 877 F HA 0.544 5.075 4.527 0.007 0.000 0.320 877 F C 0.439 176.232 175.800 -0.013 0.000 1.060 877 F CA -1.039 56.951 58.000 -0.017 0.000 0.940 877 F CB 1.982 40.950 39.000 -0.053 0.000 1.268 877 F HN 0.035 nan 8.300 nan 0.000 0.475 878 I N 1.664 122.344 120.570 0.183 0.000 2.410 878 I HA 0.316 4.490 4.170 0.007 0.000 0.286 878 I C -1.043 175.102 176.117 0.046 0.000 1.009 878 I CA -0.354 60.987 61.300 0.070 0.000 1.111 878 I CB 1.909 39.906 38.000 -0.006 0.000 1.262 878 I HN 0.511 nan 8.210 nan 0.000 0.443 879 T N 7.112 121.673 114.554 0.011 0.000 2.786 879 T HA 0.582 4.936 4.350 0.007 0.000 0.283 879 T C -0.145 174.508 174.700 -0.078 0.000 0.992 879 T CA -0.334 61.748 62.100 -0.031 0.000 0.954 879 T CB 1.205 70.053 68.868 -0.034 0.000 0.934 879 T HN 0.262 nan 8.240 nan 0.000 0.440 880 I N 3.585 124.071 120.570 -0.141 0.000 2.339 880 I HA 0.499 4.673 4.170 0.007 0.000 0.290 880 I C 0.401 176.398 176.117 -0.200 0.000 0.994 880 I CA -0.406 60.776 61.300 -0.197 0.000 1.191 880 I CB 1.293 39.073 38.000 -0.366 0.000 1.343 880 I HN 0.679 nan 8.210 nan 0.000 0.458 881 S N 4.767 120.363 115.700 -0.173 0.000 2.627 881 S HA 0.555 5.029 4.470 0.007 0.000 0.283 881 S C -1.002 173.472 174.600 -0.210 0.000 1.127 881 S CA -0.909 57.177 58.200 -0.189 0.000 0.863 881 S CB 2.255 65.370 63.200 -0.142 0.000 1.121 881 S HN 0.631 nan 8.310 nan 0.000 0.479 882 Q N 0.731 120.369 119.800 -0.270 0.000 2.327 882 Q HA 0.379 4.723 4.340 0.007 0.000 0.270 882 Q C -1.269 174.480 176.000 -0.418 0.000 1.022 882 Q CA -0.479 55.147 55.803 -0.295 0.000 0.773 882 Q CB 1.294 29.879 28.738 -0.256 0.000 1.251 882 Q HN 0.642 nan 8.270 nan 0.000 0.457 883 K N 2.636 122.890 120.400 -0.244 0.000 2.412 883 K HA 0.114 4.438 4.320 0.007 0.000 0.281 883 K C -0.764 175.778 176.600 -0.096 0.000 1.027 883 K CA 0.103 56.286 56.287 -0.172 0.000 0.989 883 K CB 0.436 32.892 32.500 -0.073 0.000 0.935 883 K HN 0.475 nan 8.250 nan 0.000 0.475 884 H N 1.472 120.566 119.070 0.041 0.000 2.622 884 H HA 0.255 4.815 4.556 0.007 0.000 0.363 884 H C -0.278 175.079 175.328 0.049 0.000 1.151 884 H CA -1.004 55.082 56.048 0.064 0.000 1.184 884 H CB 1.709 31.531 29.762 0.100 0.000 1.643 884 H HN 0.753 nan 8.280 nan 0.000 0.531 885 D N -0.429 120.082 120.400 0.185 0.000 2.961 885 D HA 0.123 4.767 4.640 0.007 0.000 0.257 885 D C -0.168 176.177 176.300 0.075 0.000 1.211 885 D CA -0.634 53.427 54.000 0.102 0.000 1.066 885 D CB 0.411 41.253 40.800 0.070 0.000 1.291 885 D HN 0.386 nan 8.370 nan 0.000 0.629 886 N N -1.829 116.899 118.700 0.047 0.000 2.204 886 N HA 0.123 4.867 4.740 0.007 0.000 0.219 886 N C 0.756 176.278 175.510 0.020 0.000 1.151 886 N CA -0.113 52.954 53.050 0.029 0.000 0.867 886 N CB 0.978 39.478 38.487 0.022 0.000 1.043 886 N HN 0.255 nan 8.380 nan 0.000 0.516 887 K N 0.590 121.007 120.400 0.028 0.000 2.161 887 K HA 0.187 4.511 4.320 0.007 0.000 0.205 887 K C 0.884 177.500 176.600 0.027 0.000 1.035 887 K CA 0.861 57.163 56.287 0.025 0.000 0.970 887 K CB -0.370 32.147 32.500 0.028 0.000 0.866 887 K HN -0.053 nan 8.250 nan 0.000 0.461 888 G N 2.505 111.331 108.800 0.043 0.000 3.444 888 G HA2 0.160 4.124 3.960 0.007 0.000 0.315 888 G HA3 0.160 4.124 3.960 0.007 0.000 0.315 888 G C -1.000 173.912 174.900 0.020 0.000 1.079 888 G CA -0.275 44.856 45.100 0.052 0.000 1.500 888 G HN 0.499 nan 8.290 nan 0.000 0.518 889 D N 0.547 120.924 120.400 -0.039 0.000 3.179 889 D HA 0.211 4.855 4.640 0.007 0.000 0.267 889 D C 0.365 176.550 176.300 -0.192 0.000 1.348 889 D CA -0.516 53.404 54.000 -0.134 0.000 0.897 889 D CB 0.041 40.804 40.800 -0.062 0.000 1.062 889 D HN 0.274 nan 8.370 nan 0.000 0.494 890 S N -0.461 115.121 115.700 -0.197 0.000 2.588 890 S HA 0.693 5.167 4.470 0.007 0.000 0.269 890 S C -1.194 173.478 174.600 0.120 0.000 1.157 890 S CA -1.095 57.043 58.200 -0.104 0.000 0.824 890 S CB 1.552 64.733 63.200 -0.033 0.000 1.126 890 S HN 0.371 nan 8.310 nan 0.000 0.464 891 Y N -1.787 118.605 120.300 0.152 0.000 2.597 891 Y HA 0.900 5.454 4.550 0.007 0.000 0.340 891 Y C -0.520 175.595 175.900 0.358 0.000 1.097 891 Y CA -0.709 57.592 58.100 0.335 0.000 1.037 891 Y CB 1.207 39.952 38.460 0.475 0.000 1.305 891 Y HN 1.305 nan 8.280 nan 0.000 0.463 892 G N 2.213 111.460 108.800 0.746 0.000 2.029 892 G HA2 0.485 4.449 3.960 0.007 0.000 0.293 892 G HA3 0.485 4.449 3.960 0.007 0.000 0.293 892 G C -2.292 173.056 174.900 0.746 0.000 1.362 892 G CA -0.642 44.867 45.100 0.682 0.000 1.226 892 G HN 1.103 nan 8.290 nan 0.000 0.599 893 Y N -0.338 120.200 120.300 0.397 0.000 2.588 893 Y HA 0.850 5.404 4.550 0.007 0.000 0.343 893 Y C -0.745 175.154 175.900 -0.000 0.000 1.065 893 Y CA -2.167 55.896 58.100 -0.062 0.000 1.038 893 Y CB 1.969 40.312 38.460 -0.194 0.000 1.297 893 Y HN 0.438 nan 8.280 nan 0.000 0.467 894 M N 4.851 124.355 119.600 -0.160 0.000 2.243 894 M HA 0.496 4.980 4.480 0.007 0.000 0.324 894 M C -1.447 174.872 176.300 0.032 0.000 1.031 894 M CA -0.871 54.396 55.300 -0.055 0.000 0.949 894 M CB 1.537 34.035 32.600 -0.169 0.000 1.615 894 M HN 0.984 nan 8.290 nan 0.000 0.430 895 M N 5.401 125.068 119.600 0.111 0.000 2.300 895 M HA 0.553 5.037 4.480 0.007 0.000 0.348 895 M C -1.789 174.426 176.300 -0.143 0.000 1.151 895 M CA -0.594 54.686 55.300 -0.034 0.000 1.046 895 M CB 1.166 33.807 32.600 0.068 0.000 1.647 895 M HN 0.512 nan 8.290 nan 0.000 0.451 896 V N 6.900 126.677 119.914 -0.228 0.000 2.357 896 V HA 0.466 4.590 4.120 0.007 0.000 0.281 896 V C -2.414 173.492 176.094 -0.313 0.000 1.015 896 V CA -1.313 60.884 62.300 -0.172 0.000 0.827 896 V CB 1.137 32.999 31.823 0.065 0.000 1.018 896 V HN 0.734 nan 8.190 nan 0.000 0.432 897 P HA 0.385 nan 4.420 nan 0.000 0.288 897 P C -0.310 176.787 177.300 -0.337 0.000 1.267 897 P CA -0.368 62.411 63.100 -0.535 0.000 0.815 897 P CB 0.573 31.706 31.700 -0.945 0.000 0.989 898 N N 0.747 119.323 118.700 -0.208 0.000 2.610 898 N HA -0.179 4.566 4.740 0.007 0.000 0.271 898 N C -0.626 174.888 175.510 0.006 0.000 1.146 898 N CA 0.902 53.917 53.050 -0.058 0.000 0.711 898 N CB -1.300 37.200 38.487 0.022 0.000 0.883 898 N HN 0.590 nan 8.380 nan 0.000 0.548 899 I N 0.148 120.748 120.570 0.051 0.000 2.918 899 I HA 0.247 4.421 4.170 0.007 0.000 0.301 899 I C -0.730 175.519 176.117 0.221 0.000 1.312 899 I CA -0.895 60.483 61.300 0.128 0.000 1.007 899 I CB 1.746 39.844 38.000 0.163 0.000 1.281 899 I HN 0.199 nan 8.210 nan 0.000 0.440 900 D N 6.076 126.550 120.400 0.122 0.000 2.344 900 D HA 0.097 4.741 4.640 0.007 0.000 0.244 900 D C 0.539 176.765 176.300 -0.122 0.000 1.134 900 D CA -0.483 53.553 54.000 0.060 0.000 0.930 900 D CB 1.488 42.293 40.800 0.008 0.000 1.175 900 D HN 0.582 nan 8.370 nan 0.000 0.437 901 R N 0.325 120.614 120.500 -0.352 0.000 2.096 901 R HA -0.112 4.233 4.340 0.007 0.000 0.235 901 R C 1.767 177.840 176.300 -0.379 0.000 1.127 901 R CA 1.622 57.241 56.100 -0.802 0.000 0.968 901 R CB -0.280 29.558 30.300 -0.769 0.000 0.861 901 R HN 0.592 nan 8.270 nan 0.000 0.440 902 T N 0.214 114.638 114.554 -0.216 0.000 2.545 902 T HA -0.141 4.213 4.350 0.007 0.000 0.261 902 T C 1.902 176.535 174.700 -0.111 0.000 1.097 902 T CA 1.986 64.003 62.100 -0.139 0.000 1.189 902 T CB -0.438 68.376 68.868 -0.089 0.000 0.863 902 T HN 0.282 nan 8.240 nan 0.000 0.405 903 S N 1.317 116.975 115.700 -0.071 0.000 2.402 903 S HA -0.103 4.371 4.470 0.007 0.000 0.233 903 S C 1.656 176.219 174.600 -0.062 0.000 1.030 903 S CA 1.106 59.275 58.200 -0.052 0.000 1.003 903 S CB -0.638 62.553 63.200 -0.014 0.000 0.813 903 S HN 0.465 nan 8.310 nan 0.000 0.477 904 F N 3.026 122.853 119.950 -0.206 0.000 2.051 904 F HA -0.154 4.377 4.527 0.007 0.000 0.296 904 F C 1.925 177.599 175.800 -0.210 0.000 1.122 904 F CA 1.708 59.575 58.000 -0.222 0.000 1.201 904 F CB -0.627 38.121 39.000 -0.419 0.000 0.978 904 F HN 0.039 nan 8.300 nan 0.000 0.472 905 D N 0.516 120.706 120.400 -0.350 0.000 2.158 905 D HA -0.213 4.432 4.640 0.007 0.000 0.197 905 D C 2.240 178.352 176.300 -0.314 0.000 0.995 905 D CA 1.209 54.989 54.000 -0.368 0.000 0.846 905 D CB -0.395 40.292 40.800 -0.188 0.000 0.941 905 D HN 0.345 nan 8.370 nan 0.000 0.456 906 K N 0.398 120.660 120.400 -0.230 0.000 2.057 906 K HA -0.072 4.252 4.320 0.007 0.000 0.207 906 K C 2.203 178.690 176.600 -0.190 0.000 1.049 906 K CA 0.398 56.585 56.287 -0.166 0.000 0.931 906 K CB -0.191 32.241 32.500 -0.114 0.000 0.714 906 K HN 0.161 nan 8.250 nan 0.000 0.440 907 L N 0.456 121.529 121.223 -0.250 0.000 2.093 907 L HA -0.145 4.199 4.340 0.007 0.000 0.208 907 L C 2.311 179.010 176.870 -0.285 0.000 1.085 907 L CA 1.303 56.001 54.840 -0.236 0.000 0.755 907 L CB -0.420 41.498 42.059 -0.235 0.000 0.904 907 L HN 0.224 nan 8.230 nan 0.000 0.435 908 A N -0.016 122.535 122.820 -0.449 0.000 1.858 908 A HA -0.171 4.153 4.320 0.007 0.000 0.216 908 A C 1.273 178.740 177.584 -0.195 0.000 1.190 908 A CA 1.264 53.070 52.037 -0.386 0.000 0.617 908 A CB -0.534 18.157 19.000 -0.516 0.000 0.827 908 A HN 0.513 nan 8.150 nan 0.000 0.443 909 N N 1.093 119.689 118.700 -0.173 0.000 3.254 909 N HA 0.174 4.918 4.740 0.007 0.000 0.308 909 N C -0.454 175.011 175.510 -0.076 0.000 1.281 909 N CA 0.842 53.834 53.050 -0.095 0.000 1.212 909 N CB -0.078 38.359 38.487 -0.084 0.000 1.478 909 N HN 0.533 nan 8.380 nan 0.000 0.548 910 S N -0.454 115.207 115.700 -0.064 0.000 2.614 910 S HA 0.207 4.681 4.470 0.007 0.000 0.280 910 S C -1.097 173.491 174.600 -0.020 0.000 1.111 910 S CA -0.943 57.231 58.200 -0.043 0.000 0.847 910 S CB 1.235 64.398 63.200 -0.063 0.000 1.079 910 S HN 0.164 nan 8.310 nan 0.000 0.452 911 K N 1.841 122.241 120.400 -0.001 0.000 3.095 911 K HA 0.214 4.538 4.320 0.007 0.000 0.220 911 K C 0.992 177.589 176.600 -0.005 0.000 1.216 911 K CA -0.254 56.047 56.287 0.023 0.000 1.167 911 K CB 0.429 32.954 32.500 0.041 0.000 1.199 911 K HN 0.774 nan 8.250 nan 0.000 0.458 912 E N 0.745 120.927 120.200 -0.030 0.000 2.153 912 E HA -0.100 4.254 4.350 0.007 0.000 0.194 912 E C -0.205 176.329 176.600 -0.109 0.000 0.988 912 E CA 0.852 57.211 56.400 -0.069 0.000 0.811 912 E CB 0.456 30.117 29.700 -0.065 0.000 0.746 912 E HN -0.006 nan 8.360 nan 0.000 0.466 913 V N 1.893 121.787 119.914 -0.034 0.000 2.588 913 V HA 0.227 4.351 4.120 0.007 0.000 0.304 913 V C -0.989 175.149 176.094 0.074 0.000 1.042 913 V CA -0.738 61.547 62.300 -0.026 0.000 0.877 913 V CB 1.776 33.644 31.823 0.075 0.000 0.996 913 V HN 0.181 nan 8.190 nan 0.000 0.425 914 E N 4.479 124.657 120.200 -0.038 0.000 2.238 914 E HA 0.607 4.961 4.350 0.007 0.000 0.267 914 E C -1.099 175.343 176.600 -0.263 0.000 0.887 914 E CA -1.085 55.281 56.400 -0.058 0.000 0.769 914 E CB 2.888 32.600 29.700 0.020 0.000 1.187 914 E HN 0.432 nan 8.360 nan 0.000 0.416 915 L N 3.866 124.773 121.223 -0.526 0.000 2.315 915 L HA 0.189 4.533 4.340 0.007 0.000 0.278 915 L C -0.109 176.634 176.870 -0.211 0.000 1.088 915 L CA -0.140 54.337 54.840 -0.604 0.000 0.899 915 L CB 0.088 41.486 42.059 -1.101 0.000 1.277 915 L HN 0.718 nan 8.230 nan 0.000 0.431 916 L N 2.378 123.560 121.223 -0.068 0.000 2.083 916 L HA 0.114 4.458 4.340 0.007 0.000 0.209 916 L C 0.936 177.818 176.870 0.019 0.000 1.083 916 L CA 1.230 56.088 54.840 0.031 0.000 0.752 916 L CB -0.454 41.692 42.059 0.145 0.000 0.899 916 L HN 0.716 nan 8.230 nan 0.000 0.433 917 E N -1.112 119.090 120.200 0.003 0.000 2.354 917 E HA 0.204 4.558 4.350 0.007 0.000 0.283 917 E C -1.250 175.351 176.600 0.002 0.000 0.938 917 E CA -0.430 55.977 56.400 0.011 0.000 0.777 917 E CB 1.126 30.845 29.700 0.031 0.000 1.222 917 E HN -0.071 nan 8.360 nan 0.000 0.423 918 N N 2.419 121.123 118.700 0.007 0.000 2.723 918 N HA 0.175 4.919 4.740 0.007 0.000 0.290 918 N C -1.569 173.950 175.510 0.014 0.000 1.882 918 N CA -0.116 52.937 53.050 0.005 0.000 0.851 918 N CB 1.092 39.577 38.487 -0.004 0.000 1.234 918 N HN 0.444 nan 8.380 nan 0.000 0.491 919 S N -0.903 114.819 115.700 0.036 0.000 2.747 919 S HA 0.442 4.917 4.470 0.007 0.000 0.300 919 S C 1.137 175.765 174.600 0.046 0.000 1.121 919 S CA -0.261 57.958 58.200 0.030 0.000 0.995 919 S CB 1.060 64.278 63.200 0.029 0.000 1.113 919 S HN 0.188 nan 8.310 nan 0.000 0.547 920 S N 0.889 116.592 115.700 0.005 0.000 2.481 920 S HA -0.071 4.404 4.470 0.007 0.000 0.231 920 S C 1.655 176.271 174.600 0.028 0.000 0.996 920 S CA 0.908 59.084 58.200 -0.040 0.000 0.942 920 S CB -0.597 62.567 63.200 -0.060 0.000 0.768 920 S HN 0.874 nan 8.310 nan 0.000 0.520 921 K N 1.562 122.004 120.400 0.069 0.000 2.166 921 K HA 0.053 4.377 4.320 0.007 0.000 0.201 921 K C 0.748 177.439 176.600 0.151 0.000 1.052 921 K CA 0.376 56.716 56.287 0.088 0.000 0.969 921 K CB -0.062 32.463 32.500 0.041 0.000 0.761 921 K HN 0.613 nan 8.250 nan 0.000 0.459 922 Q N 0.060 119.957 119.800 0.161 0.000 2.666 922 Q HA 0.257 4.601 4.340 0.007 0.000 0.276 922 Q C -1.898 174.174 176.000 0.120 0.000 0.952 922 Q CA -0.927 54.958 55.803 0.138 0.000 0.850 922 Q CB 1.152 29.934 28.738 0.074 0.000 1.512 922 Q HN 0.054 nan 8.270 nan 0.000 0.395 923 Q N 1.049 120.910 119.800 0.101 0.000 2.331 923 Q HA 0.654 4.998 4.340 0.007 0.000 0.267 923 Q C -1.490 174.554 176.000 0.072 0.000 1.006 923 Q CA -0.632 55.215 55.803 0.074 0.000 0.818 923 Q CB 2.688 31.470 28.738 0.073 0.000 1.276 923 Q HN 0.547 nan 8.270 nan 0.000 0.450 924 V N 3.714 123.668 119.914 0.067 0.000 2.577 924 V HA 0.679 4.803 4.120 0.007 0.000 0.303 924 V C -1.377 174.774 176.094 0.095 0.000 1.042 924 V CA -0.468 61.908 62.300 0.126 0.000 0.872 924 V CB 1.347 33.277 31.823 0.179 0.000 0.998 924 V HN 0.734 nan 8.190 nan 0.000 0.423 925 I N 6.271 126.908 120.570 0.112 0.000 2.646 925 I HA 0.526 4.700 4.170 0.007 0.000 0.299 925 I C -1.514 174.623 176.117 0.034 0.000 1.036 925 I CA -0.700 60.606 61.300 0.009 0.000 1.074 925 I CB 2.253 40.229 38.000 -0.039 0.000 1.258 925 I HN 0.871 nan 8.210 nan 0.000 0.430 926 Y N 4.156 124.274 120.300 -0.304 0.000 2.373 926 Y HA 0.375 4.930 4.550 0.007 0.000 0.336 926 Y C -0.961 174.715 175.900 -0.374 0.000 0.979 926 Y CA -1.399 56.321 58.100 -0.634 0.000 1.080 926 Y CB 1.414 39.203 38.460 -1.118 0.000 1.190 926 Y HN 0.485 nan 8.280 nan 0.000 0.446 927 D N 4.807 124.670 120.400 -0.895 0.000 2.454 927 D HA 0.263 4.907 4.640 0.007 0.000 0.225 927 D C 0.469 176.173 176.300 -0.993 0.000 1.081 927 D CA -0.224 53.382 54.000 -0.658 0.000 0.864 927 D CB 1.324 41.968 40.800 -0.261 0.000 1.040 927 D HN 0.547 nan 8.370 nan 0.000 0.517 928 K N 2.112 121.975 120.400 -0.895 0.000 2.020 928 K HA -0.182 4.143 4.320 0.007 0.000 0.212 928 K C 1.683 178.098 176.600 -0.309 0.000 1.050 928 K CA 1.051 56.973 56.287 -0.608 0.000 0.929 928 K CB -0.159 32.186 32.500 -0.258 0.000 0.714 928 K HN 0.305 nan 8.250 nan 0.000 0.443 929 N N 0.149 118.720 118.700 -0.214 0.000 2.037 929 N HA -0.188 4.557 4.740 0.007 0.000 0.196 929 N C 1.492 176.950 175.510 -0.088 0.000 1.034 929 N CA 2.137 55.121 53.050 -0.110 0.000 0.861 929 N CB -0.300 38.145 38.487 -0.071 0.000 1.039 929 N HN 0.275 nan 8.380 nan 0.000 0.427 930 S N -0.801 114.835 115.700 -0.106 0.000 2.556 930 S HA 0.109 4.583 4.470 0.007 0.000 0.216 930 S C 0.136 174.643 174.600 -0.155 0.000 0.970 930 S CA -0.114 58.029 58.200 -0.094 0.000 0.912 930 S CB -0.008 63.184 63.200 -0.014 0.000 0.790 930 S HN 0.342 nan 8.310 nan 0.000 0.504 931 Q N 0.878 120.571 119.800 -0.179 0.000 2.459 931 Q HA -0.117 4.227 4.340 0.007 0.000 0.322 931 Q C -1.066 174.945 176.000 0.017 0.000 1.427 931 Q CA 0.908 56.692 55.803 -0.032 0.000 0.861 931 Q CB -2.316 26.471 28.738 0.081 0.000 1.137 931 Q HN 0.590 nan 8.270 nan 0.000 0.394 932 T N -0.199 114.263 114.554 -0.154 0.000 2.841 932 T HA 0.553 4.907 4.350 0.007 0.000 0.283 932 T C -0.696 173.982 174.700 -0.037 0.000 1.000 932 T CA -0.426 61.626 62.100 -0.082 0.000 0.977 932 T CB 0.765 69.496 68.868 -0.229 0.000 0.979 932 T HN 0.256 nan 8.240 nan 0.000 0.446 933 W N 1.964 123.343 121.300 0.133 0.000 2.475 933 W HA 0.670 5.335 4.660 0.007 0.000 0.317 933 W C -0.201 176.346 176.519 0.046 0.000 1.046 933 W CA -0.735 56.680 57.345 0.116 0.000 1.215 933 W CB 1.286 30.721 29.460 -0.042 0.000 1.335 933 W HN 0.738 nan 8.180 nan 0.000 0.471 934 A N 3.166 126.161 122.820 0.293 0.000 2.330 934 A HA 0.861 5.185 4.320 0.007 0.000 0.313 934 A C -1.435 176.279 177.584 0.217 0.000 1.124 934 A CA -0.667 51.495 52.037 0.208 0.000 0.774 934 A CB 0.999 20.082 19.000 0.138 0.000 1.198 934 A HN 0.405 nan 8.150 nan 0.000 0.465 935 V N 3.857 123.909 119.914 0.229 0.000 2.623 935 V HA 0.382 4.506 4.120 0.007 0.000 0.304 935 V C -0.617 175.630 176.094 0.254 0.000 1.054 935 V CA -0.176 62.254 62.300 0.217 0.000 0.882 935 V CB 1.661 33.581 31.823 0.161 0.000 1.002 935 V HN 0.782 nan 8.190 nan 0.000 0.424 936 I N 4.194 124.849 120.570 0.142 0.000 2.307 936 I HA 0.419 4.593 4.170 0.007 0.000 0.289 936 I C 0.128 176.249 176.117 0.007 0.000 1.021 936 I CA -0.345 60.994 61.300 0.066 0.000 1.224 936 I CB 1.236 39.215 38.000 -0.035 0.000 1.376 936 I HN 0.511 nan 8.210 nan 0.000 0.470 937 K N 5.656 126.150 120.400 0.157 0.000 2.268 937 K HA 0.276 4.601 4.320 0.007 0.000 0.276 937 K C 0.589 177.206 176.600 0.029 0.000 1.080 937 K CA -0.422 55.951 56.287 0.143 0.000 0.910 937 K CB 0.483 33.197 32.500 0.356 0.000 1.163 937 K HN 0.549 nan 8.250 nan 0.000 0.465 938 H N 1.263 120.369 119.070 0.061 0.000 2.431 938 H HA -0.039 4.521 4.556 0.007 0.000 0.295 938 H C 0.435 175.650 175.328 -0.188 0.000 1.038 938 H CA 0.556 56.465 56.048 -0.233 0.000 1.360 938 H CB 0.335 29.992 29.762 -0.175 0.000 1.433 938 H HN 0.683 nan 8.280 nan 0.000 0.536 939 D N 0.303 120.736 120.400 0.055 0.000 2.132 939 D HA 0.039 4.683 4.640 0.007 0.000 0.265 939 D C 0.349 176.662 176.300 0.022 0.000 1.194 939 D CA 0.159 54.173 54.000 0.023 0.000 0.988 939 D CB 0.593 41.413 40.800 0.034 0.000 1.167 939 D HN 0.065 nan 8.370 nan 0.000 0.517 940 N N -0.518 118.196 118.700 0.022 0.000 3.049 940 N HA 0.116 4.860 4.740 0.007 0.000 0.244 940 N C -1.871 173.646 175.510 0.011 0.000 1.203 940 N CA -0.358 52.708 53.050 0.028 0.000 0.945 940 N CB 1.269 39.767 38.487 0.019 0.000 1.616 940 N HN 0.327 nan 8.380 nan 0.000 0.505 941 Q N 1.020 120.824 119.800 0.007 0.000 3.221 941 Q HA -0.147 4.197 4.340 0.007 0.000 0.030 941 Q C -1.104 174.884 176.000 -0.021 0.000 1.702 941 Q CA 0.668 56.465 55.803 -0.009 0.000 0.246 941 Q CB -0.412 28.320 28.738 -0.010 0.000 0.584 941 Q HN 0.808 nan 8.270 nan 0.000 0.322 942 E N 0.222 120.401 120.200 -0.034 0.000 0.768 942 E HA -0.072 4.283 4.350 0.007 0.000 0.365 942 E C -0.859 175.707 176.600 -0.057 0.000 1.016 942 E CA 1.615 57.985 56.400 -0.050 0.000 1.380 942 E CB -0.159 29.514 29.700 -0.045 0.000 0.297 942 E HN 0.469 nan 8.360 nan 0.000 0.365 943 S N 3.591 119.241 115.700 -0.083 0.000 2.592 943 S HA 0.488 4.962 4.470 0.007 0.000 0.275 943 S C -1.522 172.998 174.600 -0.133 0.000 1.169 943 S CA -0.909 57.233 58.200 -0.096 0.000 0.958 943 S CB 0.621 63.766 63.200 -0.091 0.000 1.095 943 S HN 0.394 nan 8.310 nan 0.000 0.471 944 L N 5.720 126.861 121.223 -0.136 0.000 2.298 944 L HA 0.554 4.898 4.340 0.007 0.000 0.284 944 L C -0.964 175.778 176.870 -0.213 0.000 1.013 944 L CA -0.700 54.033 54.840 -0.178 0.000 0.824 944 L CB 1.282 43.239 42.059 -0.170 0.000 1.221 944 L HN 0.644 nan 8.230 nan 0.000 0.418 945 I N 5.244 125.656 120.570 -0.262 0.000 2.325 945 I HA 0.105 4.279 4.170 0.007 0.000 0.291 945 I C 1.224 177.007 176.117 -0.557 0.000 1.019 945 I CA 0.101 61.195 61.300 -0.344 0.000 1.302 945 I CB 0.512 38.338 38.000 -0.290 0.000 1.401 945 I HN 0.760 nan 8.210 nan 0.000 0.485 946 N N 6.192 124.602 118.700 -0.484 0.000 2.727 946 N HA -0.276 4.468 4.740 0.007 0.000 0.249 946 N C -0.123 175.144 175.510 -0.405 0.000 1.048 946 N CA 0.841 53.630 53.050 -0.435 0.000 0.714 946 N CB -0.655 37.427 38.487 -0.675 0.000 0.959 946 N HN 0.857 nan 8.380 nan 0.000 0.544 947 N N -1.107 117.400 118.700 -0.322 0.000 2.696 947 N HA -0.264 4.480 4.740 0.007 0.000 0.249 947 N C 0.461 175.732 175.510 -0.398 0.000 1.090 947 N CA 1.801 54.681 53.050 -0.283 0.000 0.716 947 N CB -1.195 37.173 38.487 -0.198 0.000 1.020 947 N HN 0.816 nan 8.380 nan 0.000 0.548 948 Q N -1.451 117.985 119.800 -0.607 0.000 2.361 948 Q HA 0.323 4.667 4.340 0.007 0.000 0.182 948 Q C -0.690 174.756 176.000 -0.922 0.000 0.650 948 Q CA -0.066 55.191 55.803 -0.910 0.000 0.842 948 Q CB 0.645 28.471 28.738 -1.520 0.000 1.211 948 Q HN 0.246 nan 8.270 nan 0.000 0.502 949 F N 1.841 121.524 119.950 -0.445 0.000 2.385 949 F HA 0.442 4.974 4.527 0.007 0.000 0.336 949 F C -0.403 175.200 175.800 -0.330 0.000 1.100 949 F CA -0.750 57.015 58.000 -0.391 0.000 1.116 949 F CB 0.863 39.584 39.000 -0.465 0.000 1.166 949 F HN -0.233 nan 8.300 nan 0.000 0.511 950 K N 3.450 123.787 120.400 -0.103 0.000 2.281 950 K HA 0.550 4.874 4.320 0.007 0.000 0.272 950 K C -0.930 175.568 176.600 -0.170 0.000 1.048 950 K CA -0.127 56.078 56.287 -0.136 0.000 0.898 950 K CB 1.071 33.505 32.500 -0.110 0.000 1.128 950 K HN 0.594 nan 8.250 nan 0.000 0.460 951 M N 3.135 122.599 119.600 -0.227 0.000 2.190 951 M HA 0.263 4.747 4.480 0.007 0.000 0.312 951 M C 0.441 176.651 176.300 -0.151 0.000 0.990 951 M CA -0.445 54.667 55.300 -0.314 0.000 0.927 951 M CB 1.549 33.739 32.600 -0.683 0.000 1.571 951 M HN 0.638 nan 8.290 nan 0.000 0.427 952 N N 1.610 120.268 118.700 -0.070 0.000 2.684 952 N HA 0.122 4.866 4.740 0.007 0.000 0.220 952 N C -0.141 175.389 175.510 0.035 0.000 1.037 952 N CA 0.163 53.198 53.050 -0.025 0.000 0.975 952 N CB 0.031 38.496 38.487 -0.036 0.000 1.426 952 N HN 0.306 nan 8.380 nan 0.000 0.450 953 K N 1.103 121.531 120.400 0.048 0.000 2.355 953 K HA 0.450 4.774 4.320 0.007 0.000 0.270 953 K C -0.148 176.600 176.600 0.246 0.000 1.003 953 K CA -0.133 56.209 56.287 0.091 0.000 0.957 953 K CB 0.806 33.299 32.500 -0.012 0.000 0.939 953 K HN 0.433 nan 8.250 nan 0.000 0.482 954 A N 1.475 124.431 122.820 0.226 0.000 2.340 954 A HA 0.702 5.026 4.320 0.007 0.000 0.268 954 A C 0.486 178.299 177.584 0.382 0.000 1.100 954 A CA 0.594 52.794 52.037 0.271 0.000 0.803 954 A CB 0.344 19.417 19.000 0.121 0.000 1.043 954 A HN 0.745 nan 8.150 nan 0.000 0.488 955 G N -0.505 108.523 108.800 0.380 0.000 2.350 955 G HA2 0.361 4.325 3.960 0.007 0.000 0.276 955 G HA3 0.361 4.325 3.960 0.007 0.000 0.276 955 G C -1.460 173.422 174.900 -0.029 0.000 1.313 955 G CA -0.803 44.367 45.100 0.116 0.000 0.903 955 G HN 0.884 nan 8.290 nan 0.000 0.490 956 L N 0.393 121.427 121.223 -0.315 0.000 2.307 956 L HA 0.670 5.014 4.340 0.007 0.000 0.284 956 L C -1.114 175.618 176.870 -0.229 0.000 1.023 956 L CA -0.765 53.984 54.840 -0.150 0.000 0.810 956 L CB 1.559 43.572 42.059 -0.077 0.000 1.231 956 L HN 0.548 nan 8.230 nan 0.000 0.423 957 Y N 3.642 124.015 120.300 0.121 0.000 2.391 957 Y HA 0.596 5.151 4.550 0.007 0.000 0.341 957 Y C -0.390 175.558 175.900 0.079 0.000 0.965 957 Y CA -0.608 57.571 58.100 0.131 0.000 1.067 957 Y CB 2.111 40.642 38.460 0.119 0.000 1.199 957 Y HN 0.356 nan 8.280 nan 0.000 0.450 958 L N 4.273 125.622 121.223 0.211 0.000 2.406 958 L HA 0.673 5.017 4.340 0.007 0.000 0.270 958 L C -1.427 175.494 176.870 0.085 0.000 0.982 958 L CA -0.763 54.157 54.840 0.133 0.000 0.843 958 L CB 1.575 43.690 42.059 0.094 0.000 1.225 958 L HN 0.404 nan 8.230 nan 0.000 0.412 959 V N 3.501 123.447 119.914 0.053 0.000 2.483 959 V HA 0.478 4.602 4.120 0.007 0.000 0.297 959 V C -0.541 175.619 176.094 0.110 0.000 1.027 959 V CA -0.532 61.752 62.300 -0.028 0.000 0.855 959 V CB 1.854 33.422 31.823 -0.426 0.000 0.995 959 V HN 0.743 nan 8.190 nan 0.000 0.424 960 Q N 2.934 122.808 119.800 0.123 0.000 2.372 960 Q HA 0.545 4.889 4.340 0.007 0.000 0.273 960 Q C -0.766 175.321 176.000 0.145 0.000 1.078 960 Q CA -1.018 54.850 55.803 0.108 0.000 0.806 960 Q CB 2.284 30.954 28.738 -0.113 0.000 1.332 960 Q HN 0.665 nan 8.270 nan 0.000 0.435 961 K N 2.360 122.817 120.400 0.095 0.000 2.378 961 K HA 0.281 4.605 4.320 0.007 0.000 0.288 961 K C -1.474 175.031 176.600 -0.158 0.000 1.057 961 K CA -0.131 56.042 56.287 -0.191 0.000 0.971 961 K CB 0.864 33.260 32.500 -0.173 0.000 0.975 961 K HN 0.328 nan 8.250 nan 0.000 0.475 962 V N 5.932 125.744 119.914 -0.171 0.000 2.419 962 V HA 0.722 4.846 4.120 0.007 0.000 0.287 962 V C 0.208 176.239 176.094 -0.105 0.000 1.017 962 V CA 0.806 63.044 62.300 -0.102 0.000 0.844 962 V CB 0.178 31.968 31.823 -0.055 0.000 1.011 962 V HN 1.110 nan 8.190 nan 0.000 0.429 963 G N 6.300 115.045 108.800 -0.091 0.000 2.498 963 G HA2 -0.238 3.726 3.960 0.007 0.000 0.251 963 G HA3 -0.238 3.726 3.960 0.007 0.000 0.251 963 G C 0.170 175.007 174.900 -0.105 0.000 1.170 963 G CA 0.315 45.371 45.100 -0.073 0.000 0.944 963 G HN 0.934 nan 8.290 nan 0.000 0.567 964 N N 2.236 120.885 118.700 -0.086 0.000 2.467 964 N HA 0.337 5.081 4.740 0.007 0.000 0.278 964 N C -0.553 174.900 175.510 -0.095 0.000 1.306 964 N CA 0.128 53.124 53.050 -0.089 0.000 0.905 964 N CB 0.632 39.099 38.487 -0.034 0.000 1.236 964 N HN 0.500 nan 8.380 nan 0.000 0.509 965 D N -0.658 119.636 120.400 -0.176 0.000 2.904 965 D HA 0.421 5.065 4.640 0.007 0.000 0.290 965 D C -1.187 174.902 176.300 -0.351 0.000 1.180 965 D CA -0.185 53.758 54.000 -0.095 0.000 1.065 965 D CB 1.398 42.205 40.800 0.013 0.000 1.386 965 D HN -0.126 nan 8.370 nan 0.000 0.599 966 Y N 0.233 120.580 120.300 0.079 0.000 2.513 966 Y HA 0.296 4.850 4.550 0.007 0.000 0.340 966 Y C -0.304 175.617 175.900 0.035 0.000 1.055 966 Y CA -0.757 57.387 58.100 0.073 0.000 1.020 966 Y CB 1.996 40.526 38.460 0.117 0.000 1.301 966 Y HN 0.016 nan 8.280 nan 0.000 0.453 967 Q N 3.334 123.227 119.800 0.155 0.000 2.316 967 Q HA 0.523 4.867 4.340 0.007 0.000 0.264 967 Q C -1.585 174.461 176.000 0.076 0.000 0.987 967 Q CA -0.688 55.168 55.803 0.089 0.000 0.852 967 Q CB 1.691 30.454 28.738 0.043 0.000 1.287 967 Q HN 0.954 nan 8.270 nan 0.000 0.448 968 N N 0.334 119.076 118.700 0.070 0.000 2.571 968 N HA 0.671 5.415 4.740 0.007 0.000 0.273 968 N C -1.597 173.966 175.510 0.089 0.000 1.340 968 N CA -0.683 52.408 53.050 0.068 0.000 0.789 968 N CB 1.838 40.357 38.487 0.053 0.000 1.514 968 N HN 0.220 nan 8.380 nan 0.000 0.499 969 V N -2.046 117.933 119.914 0.109 0.000 2.760 969 V HA 0.595 4.720 4.120 0.007 0.000 0.309 969 V C -1.588 174.599 176.094 0.155 0.000 1.077 969 V CA -0.858 61.508 62.300 0.110 0.000 0.910 969 V CB 1.079 32.935 31.823 0.056 0.000 1.008 969 V HN 0.863 nan 8.190 nan 0.000 0.424 970 Y N 4.097 124.406 120.300 0.014 0.000 2.409 970 Y HA 0.787 5.341 4.550 0.007 0.000 0.343 970 Y C -1.680 174.208 175.900 -0.019 0.000 0.973 970 Y CA -1.483 56.554 58.100 -0.105 0.000 1.064 970 Y CB 2.056 40.442 38.460 -0.123 0.000 1.207 970 Y HN 0.789 nan 8.280 nan 0.000 0.452 971 Y N 5.723 125.349 120.300 -1.123 0.000 2.373 971 Y HA 0.426 4.981 4.550 0.008 0.000 0.336 971 Y C -1.193 174.072 175.900 -1.058 0.000 0.979 971 Y CA -0.929 56.669 58.100 -0.837 0.000 1.080 971 Y CB 1.516 39.715 38.460 -0.435 0.000 1.190 971 Y HN 0.608 nan 8.280 nan 0.000 0.446 972 Q N 8.991 128.018 119.800 -1.287 0.000 2.430 972 Q HA 0.315 4.659 4.340 0.007 0.000 0.245 972 Q C -2.129 173.287 176.000 -0.973 0.000 1.021 972 Q CA -2.731 52.576 55.803 -0.827 0.000 0.867 972 Q CB 1.563 30.105 28.738 -0.326 0.000 1.210 972 Q HN 0.484 nan 8.270 nan 0.000 0.487 973 P HA -0.223 nan 4.420 nan 0.000 0.214 973 P C 0.606 177.778 177.300 -0.212 0.000 1.163 973 P CA 1.444 64.264 63.100 -0.467 0.000 0.889 973 P CB 0.557 32.023 31.700 -0.391 0.000 0.790 974 Q N -0.270 119.484 119.800 -0.076 0.000 2.002 974 Q HA -0.122 4.222 4.340 0.007 0.000 0.204 974 Q C 2.295 178.275 176.000 -0.034 0.000 0.988 974 Q CA 2.759 58.565 55.803 0.004 0.000 0.843 974 Q CB -1.417 27.362 28.738 0.068 0.000 0.908 974 Q HN 0.386 nan 8.270 nan 0.000 0.420 975 T N -2.557 111.957 114.554 -0.067 0.000 3.148 975 T HA 0.105 4.459 4.350 0.007 0.000 0.253 975 T C 0.647 175.301 174.700 -0.077 0.000 1.134 975 T CA 0.105 62.175 62.100 -0.049 0.000 1.051 975 T CB -0.202 68.648 68.868 -0.030 0.000 0.959 975 T HN 0.266 nan 8.240 nan 0.000 0.525 976 M N 1.672 121.171 119.600 -0.167 0.000 2.249 976 M HA -0.141 4.343 4.480 0.007 0.000 0.198 976 M C -0.929 175.324 176.300 -0.079 0.000 0.394 976 M CA 0.503 55.725 55.300 -0.130 0.000 0.427 976 M CB -1.719 30.910 32.600 0.049 0.000 1.307 976 M HN 0.363 nan 8.290 nan 0.000 0.924 977 T N -0.018 114.383 114.554 -0.255 0.000 2.807 977 T HA 0.600 4.954 4.350 0.007 0.000 0.279 977 T C -0.307 174.348 174.700 -0.075 0.000 0.993 977 T CA -0.927 61.126 62.100 -0.079 0.000 0.970 977 T CB 2.410 71.258 68.868 -0.033 0.000 0.950 977 T HN 0.336 nan 8.240 nan 0.000 0.441 978 K N 1.777 122.262 120.400 0.142 0.000 2.221 978 K HA 0.632 4.956 4.320 0.007 0.000 0.258 978 K C -1.056 175.624 176.600 0.132 0.000 0.944 978 K CA -0.435 55.971 56.287 0.198 0.000 0.823 978 K CB 1.317 33.953 32.500 0.228 0.000 1.113 978 K HN 0.511 nan 8.250 nan 0.000 0.431 979 T N 3.240 117.889 114.554 0.157 0.000 2.812 979 T HA 0.255 4.610 4.350 0.007 0.000 0.282 979 T C -1.301 173.486 174.700 0.145 0.000 0.990 979 T CA -0.787 61.416 62.100 0.173 0.000 0.960 979 T CB 1.016 70.039 68.868 0.258 0.000 0.948 979 T HN 0.543 nan 8.240 nan 0.000 0.438 980 D N 2.510 122.972 120.400 0.104 0.000 2.210 980 D HA 0.220 4.864 4.640 0.007 0.000 0.249 980 D C 0.347 176.698 176.300 0.086 0.000 1.062 980 D CA -0.135 53.916 54.000 0.085 0.000 0.891 980 D CB 1.177 42.014 40.800 0.062 0.000 1.186 980 D HN 0.395 nan 8.370 nan 0.000 0.432 981 Q N 0.706 120.556 119.800 0.083 0.000 2.437 981 Q HA -0.208 4.137 4.340 0.007 0.000 0.354 981 Q C -1.017 175.030 176.000 0.078 0.000 1.402 981 Q CA 0.219 56.068 55.803 0.078 0.000 1.020 981 Q CB -1.246 27.530 28.738 0.064 0.000 1.220 981 Q HN 0.512 nan 8.270 nan 0.000 0.368 982 L N -0.216 121.064 121.223 0.095 0.000 2.456 982 L HA 0.664 5.008 4.340 0.007 0.000 0.257 982 L C 0.014 176.916 176.870 0.054 0.000 1.162 982 L CA 0.311 55.197 54.840 0.077 0.000 0.808 982 L CB 0.806 42.926 42.059 0.102 0.000 1.136 982 L HN 0.366 nan 8.230 nan 0.000 0.466 983 A N 5.375 128.210 122.820 0.026 0.000 2.354 983 A HA 0.599 4.923 4.320 0.007 0.000 0.281 983 A C -0.336 177.248 177.584 -0.001 0.000 1.174 983 A CA -0.324 51.722 52.037 0.015 0.000 0.828 983 A CB -0.564 18.438 19.000 0.003 0.000 1.099 983 A HN 0.717 nan 8.150 nan 0.000 0.516 984 I N 0.000 120.576 120.570 0.010 0.000 2.984 984 I HA 0.000 4.174 4.170 0.007 0.000 0.288 984 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 984 I CB 0.000 37.990 38.000 -0.017 0.000 1.214 984 I HN 0.000 nan 8.210 nan 0.000 0.494