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 2zc3_1_E DATA FIRST_RESID 254 DATA SEQUENCE RTMDGKDVYT TISSPLQSFM ETQMDAFQEK VKGKYMTATL VSAKTGEILA DATA SEQUENCE TTQRPTFDAD TKEGITEDFV WRDILYQSNY EPGSTMKVMM LAAAIDNNTF DATA SEQUENCE PGGEVFNSSE LKIADATIRD WDVNEGLTGG RMMTFSQGFA HSSNVGMTLL DATA SEQUENCE EQKMGDATWL DYLNRFKFGV PTRFGLTDEY AGQLPADNIV NIAQSSFGQG DATA SEQUENCE ISVTQTQMIR AFTAIANDGV MLEPKFISAI YDPNDQTARK SQKEIVGNPV DATA SEQUENCE SKDAASLTRT NMVLVGTDPV YGTMYNHSTG KPTVTVPGQN VALKSGTAQI DATA SEQUENCE ADEKNGGYLV GLTDYIFSAV SMSPAENPDF ILYVTVQQPE HYSGIQLGEF DATA SEQUENCE ANPILERASA MKDSLNL 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 254 R HA 0.000 nan 4.340 nan 0.000 0.208 254 R C 0.000 176.296 176.300 -0.006 0.000 0.893 254 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 254 R CB 0.000 30.296 30.300 -0.006 0.000 0.687 255 T N 5.834 120.384 114.554 -0.006 0.000 2.737 255 T HA 0.350 4.701 4.350 0.001 0.000 0.296 255 T C 0.018 174.712 174.700 -0.010 0.000 0.922 255 T CA -0.122 61.974 62.100 -0.006 0.000 1.079 255 T CB 0.269 69.134 68.868 -0.004 0.000 0.892 255 T HN 0.254 nan 8.240 nan 0.000 0.514 256 M N 3.634 123.227 119.600 -0.012 0.000 2.061 256 M HA 0.288 4.769 4.480 0.001 0.000 0.346 256 M C -0.031 176.259 176.300 -0.018 0.000 1.112 256 M CA -0.933 54.356 55.300 -0.019 0.000 1.021 256 M CB 0.794 33.381 32.600 -0.022 0.000 1.530 256 M HN 0.415 nan 8.290 nan 0.000 0.437 257 D N 2.298 122.687 120.400 -0.019 0.000 2.423 257 D HA 0.191 4.831 4.640 0.001 0.000 0.238 257 D C 0.795 177.082 176.300 -0.022 0.000 1.142 257 D CA 0.636 54.627 54.000 -0.015 0.000 0.884 257 D CB 0.952 41.746 40.800 -0.010 0.000 1.199 257 D HN 0.756 nan 8.370 nan 0.000 0.438 258 G N 1.297 110.090 108.800 -0.011 0.000 2.554 258 G HA2 0.083 4.044 3.960 0.001 0.000 0.238 258 G HA3 0.083 4.044 3.960 0.001 0.000 0.238 258 G C -0.063 174.830 174.900 -0.013 0.000 1.259 258 G CA -0.401 44.694 45.100 -0.009 0.000 0.843 258 G HN 0.311 nan 8.290 nan 0.000 0.582 259 K N 1.163 121.557 120.400 -0.010 0.000 2.249 259 K HA 0.172 4.492 4.320 0.001 0.000 0.280 259 K C -0.691 175.936 176.600 0.046 0.000 1.033 259 K CA -0.514 55.769 56.287 -0.006 0.000 0.946 259 K CB 0.947 33.443 32.500 -0.007 0.000 1.005 259 K HN 0.370 nan 8.250 nan 0.000 0.469 260 D N 1.588 122.053 120.400 0.108 0.000 2.350 260 D HA 0.100 4.741 4.640 0.001 0.000 0.249 260 D C -0.614 175.775 176.300 0.147 0.000 1.119 260 D CA -0.140 53.934 54.000 0.123 0.000 0.886 260 D CB 1.127 42.062 40.800 0.225 0.000 1.195 260 D HN 0.014 nan 8.370 nan 0.000 0.437 261 V N 3.551 123.484 119.914 0.031 0.000 2.357 261 V HA 0.168 4.289 4.120 0.001 0.000 0.284 261 V C -0.770 175.322 176.094 -0.003 0.000 1.018 261 V CA -0.774 61.575 62.300 0.082 0.000 0.841 261 V CB 0.431 32.300 31.823 0.076 0.000 0.991 261 V HN 0.369 nan 8.190 nan 0.000 0.437 262 Y N 3.328 123.670 120.300 0.069 0.000 2.454 262 Y HA 0.416 4.966 4.550 0.001 0.000 0.345 262 Y C 1.283 177.221 175.900 0.064 0.000 0.970 262 Y CA -0.515 57.621 58.100 0.059 0.000 1.204 262 Y CB 1.150 39.636 38.460 0.042 0.000 1.122 262 Y HN 0.761 nan 8.280 nan 0.000 0.514 263 T N -2.359 112.297 114.554 0.169 0.000 2.788 263 T HA 0.089 4.439 4.350 0.001 0.000 0.287 263 T C 1.328 176.126 174.700 0.164 0.000 1.007 263 T CA -0.059 62.145 62.100 0.173 0.000 1.005 263 T CB 1.106 70.078 68.868 0.174 0.000 1.012 263 T HN 0.675 nan 8.240 nan 0.000 0.530 264 T N -1.096 113.559 114.554 0.167 0.000 3.113 264 T HA 0.179 4.530 4.350 0.001 0.000 0.256 264 T C 1.019 175.806 174.700 0.144 0.000 1.131 264 T CA -0.343 61.846 62.100 0.148 0.000 1.074 264 T CB -0.370 68.592 68.868 0.155 0.000 0.944 264 T HN 0.531 nan 8.240 nan 0.000 0.516 265 I N 3.064 123.720 120.570 0.144 0.000 2.710 265 I HA 0.125 4.296 4.170 0.001 0.000 0.286 265 I C 0.757 176.934 176.117 0.100 0.000 1.181 265 I CA -0.018 61.354 61.300 0.120 0.000 1.430 265 I CB 0.455 38.520 38.000 0.108 0.000 1.367 265 I HN 0.271 nan 8.210 nan 0.000 0.577 266 S N 4.292 120.044 115.700 0.087 0.000 2.422 266 S HA 0.204 4.675 4.470 0.001 0.000 0.298 266 S C 1.211 175.845 174.600 0.058 0.000 1.118 266 S CA -0.342 57.900 58.200 0.069 0.000 1.083 266 S CB 0.789 64.025 63.200 0.060 0.000 0.971 266 S HN 0.682 nan 8.310 nan 0.000 0.478 267 S N 5.225 120.956 115.700 0.052 0.000 2.402 267 S HA 0.043 4.513 4.470 0.001 0.000 0.229 267 S C -1.134 173.492 174.600 0.044 0.000 1.021 267 S CA 0.612 58.839 58.200 0.045 0.000 0.974 267 S CB -1.609 61.614 63.200 0.038 0.000 0.800 267 S HN 0.631 nan 8.310 nan 0.000 0.484 268 P HA 0.043 nan 4.420 nan 0.000 0.216 268 P C 1.532 178.862 177.300 0.050 0.000 1.153 268 P CA 0.723 63.839 63.100 0.027 0.000 0.848 268 P CB -0.131 31.568 31.700 -0.001 0.000 0.787 269 L N -0.958 120.290 121.223 0.042 0.000 2.005 269 L HA -0.218 4.123 4.340 0.001 0.000 0.207 269 L C 2.771 179.693 176.870 0.085 0.000 1.072 269 L CA 1.525 56.400 54.840 0.058 0.000 0.744 269 L CB -0.929 41.133 42.059 0.005 0.000 0.895 269 L HN -0.035 nan 8.230 nan 0.000 0.433 270 Q N 0.513 120.352 119.800 0.065 0.000 2.030 270 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 270 Q C 2.293 178.328 176.000 0.058 0.000 0.986 270 Q CA 2.646 58.484 55.803 0.058 0.000 0.843 270 Q CB -0.284 28.486 28.738 0.054 0.000 0.904 270 Q HN 0.546 nan 8.270 nan 0.000 0.420 271 S N -0.791 114.951 115.700 0.070 0.000 2.423 271 S HA -0.109 4.362 4.470 0.001 0.000 0.231 271 S C 1.796 176.461 174.600 0.107 0.000 1.014 271 S CA 0.821 59.062 58.200 0.069 0.000 0.965 271 S CB -0.671 62.566 63.200 0.062 0.000 0.785 271 S HN 0.467 nan 8.310 nan 0.000 0.495 272 F N 2.338 122.272 119.950 -0.027 0.000 2.163 272 F HA 0.175 4.703 4.527 0.001 0.000 0.297 272 F C 2.290 178.062 175.800 -0.048 0.000 1.094 272 F CA 1.249 59.222 58.000 -0.045 0.000 1.290 272 F CB -0.531 38.425 39.000 -0.072 0.000 1.017 272 F HN 0.241 nan 8.300 nan 0.000 0.483 273 M N 0.056 119.558 119.600 -0.163 0.000 2.149 273 M HA -0.211 4.270 4.480 0.001 0.000 0.261 273 M C 1.978 178.236 176.300 -0.070 0.000 1.064 273 M CA 1.806 56.989 55.300 -0.196 0.000 1.102 273 M CB -0.291 32.286 32.600 -0.038 0.000 1.369 273 M HN 0.060 nan 8.290 nan 0.000 0.408 274 E N 0.270 120.451 120.200 -0.031 0.000 2.031 274 E HA -0.186 4.165 4.350 0.001 0.000 0.193 274 E C 2.124 178.718 176.600 -0.010 0.000 0.994 274 E CA 2.267 58.667 56.400 0.001 0.000 0.800 274 E CB -0.955 28.746 29.700 0.002 0.000 0.752 274 E HN 0.744 nan 8.360 nan 0.000 0.447 275 T N -0.349 114.176 114.554 -0.048 0.000 2.867 275 T HA -0.130 4.221 4.350 0.001 0.000 0.268 275 T C 1.811 176.467 174.700 -0.073 0.000 1.057 275 T CA 0.882 62.957 62.100 -0.042 0.000 1.136 275 T CB -0.004 68.859 68.868 -0.009 0.000 0.874 275 T HN -0.055 nan 8.240 nan 0.000 0.466 276 Q N 0.276 119.948 119.800 -0.213 0.000 2.050 276 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 276 Q C 2.317 178.493 176.000 0.294 0.000 0.980 276 Q CA 1.460 57.178 55.803 -0.141 0.000 0.840 276 Q CB -0.513 27.872 28.738 -0.587 0.000 0.898 276 Q HN 0.522 nan 8.270 nan 0.000 0.424 277 M N 1.404 121.214 119.600 0.350 0.000 2.175 277 M HA -0.126 4.355 4.480 0.001 0.000 0.264 277 M C 0.959 177.336 176.300 0.128 0.000 1.063 277 M CA 1.574 57.047 55.300 0.287 0.000 1.119 277 M CB -0.405 32.312 32.600 0.196 0.000 1.377 277 M HN -0.025 nan 8.290 nan 0.000 0.415 278 D N 0.193 120.641 120.400 0.081 0.000 2.104 278 D HA -0.102 4.539 4.640 0.001 0.000 0.194 278 D C 1.984 178.315 176.300 0.050 0.000 0.994 278 D CA 1.924 55.948 54.000 0.039 0.000 0.830 278 D CB -0.447 40.367 40.800 0.023 0.000 0.959 278 D HN 0.489 nan 8.370 nan 0.000 0.452 279 A N 0.245 123.114 122.820 0.081 0.000 1.898 279 A HA -0.154 4.167 4.320 0.001 0.000 0.216 279 A C 2.067 179.746 177.584 0.157 0.000 1.181 279 A CA 0.815 52.907 52.037 0.091 0.000 0.620 279 A CB -0.874 18.172 19.000 0.077 0.000 0.819 279 A HN 0.207 nan 8.150 nan 0.000 0.442 280 F N 0.805 120.756 119.950 0.002 0.000 2.134 280 F HA -0.187 4.341 4.527 0.001 0.000 0.299 280 F C 2.402 178.149 175.800 -0.088 0.000 1.097 280 F CA 1.899 59.863 58.000 -0.060 0.000 1.264 280 F CB -0.841 38.034 39.000 -0.210 0.000 1.001 280 F HN 0.451 nan 8.300 nan 0.000 0.479 281 Q N -0.097 119.641 119.800 -0.103 0.000 2.084 281 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 281 Q C 2.214 178.150 176.000 -0.105 0.000 0.978 281 Q CA 1.667 57.355 55.803 -0.191 0.000 0.844 281 Q CB -0.303 28.356 28.738 -0.133 0.000 0.898 281 Q HN 0.266 nan 8.270 nan 0.000 0.426 282 E N 0.628 120.808 120.200 -0.033 0.000 2.118 282 E HA -0.192 4.159 4.350 0.001 0.000 0.195 282 E C 1.737 178.336 176.600 -0.001 0.000 0.992 282 E CA 1.190 57.584 56.400 -0.011 0.000 0.804 282 E CB 0.117 29.822 29.700 0.008 0.000 0.741 282 E HN 0.382 nan 8.360 nan 0.000 0.458 283 K N -0.153 120.252 120.400 0.009 0.000 2.044 283 K HA -0.071 4.249 4.320 0.001 0.000 0.204 283 K C 2.152 178.768 176.600 0.027 0.000 1.049 283 K CA 1.466 57.761 56.287 0.014 0.000 0.945 283 K CB 0.088 32.625 32.500 0.060 0.000 0.724 283 K HN 0.108 nan 8.250 nan 0.000 0.440 284 V N -2.263 117.623 119.914 -0.046 0.000 3.644 284 V HA 0.156 4.277 4.120 0.001 0.000 0.267 284 V C -0.015 176.041 176.094 -0.063 0.000 1.277 284 V CA -0.259 62.026 62.300 -0.025 0.000 1.096 284 V CB -0.116 31.609 31.823 -0.163 0.000 0.828 284 V HN 0.165 nan 8.190 nan 0.000 0.446 285 K N 1.341 121.678 120.400 -0.105 0.000 3.148 285 K HA -0.148 4.173 4.320 0.001 0.000 0.267 285 K C 0.697 177.196 176.600 -0.168 0.000 0.996 285 K CA 0.963 57.176 56.287 -0.123 0.000 0.737 285 K CB -2.066 30.378 32.500 -0.093 0.000 1.308 285 K HN 0.919 nan 8.250 nan 0.000 0.470 286 G N 0.676 109.347 108.800 -0.216 0.000 2.491 286 G HA2 0.080 4.041 3.960 0.001 0.000 0.242 286 G HA3 0.080 4.041 3.960 0.001 0.000 0.242 286 G C 1.053 175.815 174.900 -0.232 0.000 1.266 286 G CA -0.037 44.933 45.100 -0.217 0.000 0.844 286 G HN 0.317 nan 8.290 nan 0.000 0.571 287 K N 0.232 120.478 120.400 -0.256 0.000 2.031 287 K HA 0.023 4.343 4.320 0.001 0.000 0.205 287 K C -0.363 175.831 176.600 -0.677 0.000 1.049 287 K CA 0.857 56.877 56.287 -0.445 0.000 0.939 287 K CB -0.049 32.193 32.500 -0.430 0.000 0.717 287 K HN 0.513 nan 8.250 nan 0.000 0.438 288 Y N -0.322 119.893 120.300 -0.141 0.000 2.442 288 Y HA 0.449 5.000 4.550 0.001 0.000 0.344 288 Y C -0.545 175.246 175.900 -0.183 0.000 0.976 288 Y CA -0.914 57.091 58.100 -0.158 0.000 1.040 288 Y CB 2.001 40.362 38.460 -0.166 0.000 1.228 288 Y HN -0.125 nan 8.280 nan 0.000 0.451 289 M N 2.925 122.508 119.600 -0.028 0.000 2.378 289 M HA 0.588 5.069 4.480 0.001 0.000 0.289 289 M C -1.157 175.088 176.300 -0.091 0.000 1.136 289 M CA -0.603 54.625 55.300 -0.121 0.000 0.917 289 M CB 2.877 35.348 32.600 -0.215 0.000 1.669 289 M HN 0.744 nan 8.290 nan 0.000 0.461 290 T N -0.161 114.327 114.554 -0.111 0.000 2.909 290 T HA 0.951 5.302 4.350 0.001 0.000 0.299 290 T C -1.146 173.530 174.700 -0.040 0.000 1.073 290 T CA -0.860 61.198 62.100 -0.070 0.000 0.999 290 T CB 2.187 70.998 68.868 -0.096 0.000 1.098 290 T HN 0.835 nan 8.240 nan 0.000 0.477 291 A N 1.686 124.540 122.820 0.057 0.000 2.455 291 A HA 0.815 5.135 4.320 0.001 0.000 0.300 291 A C -0.444 177.241 177.584 0.168 0.000 1.040 291 A CA -0.869 51.260 52.037 0.153 0.000 0.697 291 A CB 1.791 20.996 19.000 0.342 0.000 1.265 291 A HN 0.914 nan 8.150 nan 0.000 0.407 292 T N 2.227 116.900 114.554 0.198 0.000 2.937 292 T HA 0.481 4.832 4.350 0.001 0.000 0.297 292 T C -1.201 173.622 174.700 0.205 0.000 0.991 292 T CA -0.249 61.975 62.100 0.207 0.000 0.990 292 T CB 1.107 70.121 68.868 0.244 0.000 0.991 292 T HN 0.645 nan 8.240 nan 0.000 0.440 293 L N 5.180 126.498 121.223 0.159 0.000 2.265 293 L HA 0.733 5.074 4.340 0.001 0.000 0.289 293 L C -0.896 176.079 176.870 0.175 0.000 1.033 293 L CA -0.279 54.642 54.840 0.135 0.000 0.814 293 L CB 0.754 42.837 42.059 0.040 0.000 1.203 293 L HN 0.457 nan 8.230 nan 0.000 0.423 294 V N 3.455 123.499 119.914 0.216 0.000 2.715 294 V HA 0.443 4.564 4.120 0.001 0.000 0.310 294 V C 0.103 176.360 176.094 0.272 0.000 1.054 294 V CA -0.726 61.710 62.300 0.227 0.000 0.928 294 V CB 2.046 33.995 31.823 0.210 0.000 1.007 294 V HN 0.776 nan 8.190 nan 0.000 0.437 295 S N 2.810 118.651 115.700 0.236 0.000 2.430 295 S HA 0.342 4.813 4.470 0.001 0.000 0.282 295 S C 1.333 175.998 174.600 0.107 0.000 1.186 295 S CA 0.031 58.344 58.200 0.188 0.000 1.060 295 S CB 0.769 64.059 63.200 0.151 0.000 0.966 295 S HN 0.994 nan 8.310 nan 0.000 0.501 296 A N 5.841 128.698 122.820 0.061 0.000 1.948 296 A HA -0.134 4.187 4.320 0.001 0.000 0.220 296 A C 2.035 179.637 177.584 0.030 0.000 1.177 296 A CA 1.676 53.740 52.037 0.045 0.000 0.636 296 A CB -0.304 18.699 19.000 0.005 0.000 0.815 296 A HN 0.846 nan 8.150 nan 0.000 0.449 297 K N -1.471 118.928 120.400 -0.001 0.000 2.323 297 K HA 0.011 4.332 4.320 0.001 0.000 0.197 297 K C 1.797 178.407 176.600 0.016 0.000 1.043 297 K CA 1.248 57.535 56.287 -0.001 0.000 0.997 297 K CB 0.185 32.669 32.500 -0.028 0.000 0.807 297 K HN 0.706 nan 8.250 nan 0.000 0.497 298 T N -4.463 110.110 114.554 0.032 0.000 2.978 298 T HA 0.195 4.546 4.350 0.001 0.000 0.248 298 T C 1.366 176.102 174.700 0.059 0.000 1.018 298 T CA 0.371 62.496 62.100 0.041 0.000 1.026 298 T CB 0.737 69.632 68.868 0.045 0.000 1.032 298 T HN 0.165 nan 8.240 nan 0.000 0.485 299 G N 1.584 110.432 108.800 0.080 0.000 2.137 299 G HA2 -0.192 3.769 3.960 0.001 0.000 0.237 299 G HA3 -0.192 3.769 3.960 0.001 0.000 0.237 299 G C -0.381 174.595 174.900 0.128 0.000 1.002 299 G CA -0.063 45.098 45.100 0.101 0.000 0.702 299 G HN 0.661 nan 8.290 nan 0.000 0.515 300 E N -0.471 119.808 120.200 0.132 0.000 2.227 300 E HA 0.487 4.838 4.350 0.001 0.000 0.282 300 E C 0.456 177.167 176.600 0.184 0.000 1.015 300 E CA -0.788 55.703 56.400 0.151 0.000 0.823 300 E CB 1.256 31.031 29.700 0.126 0.000 1.081 300 E HN 0.356 nan 8.360 nan 0.000 0.396 301 I N 4.750 125.450 120.570 0.216 0.000 2.347 301 I HA -0.046 4.125 4.170 0.001 0.000 0.294 301 I C 1.033 177.262 176.117 0.188 0.000 1.090 301 I CA 0.221 61.652 61.300 0.219 0.000 1.314 301 I CB 0.293 38.451 38.000 0.263 0.000 1.423 301 I HN 0.507 nan 8.210 nan 0.000 0.503 302 L N 6.238 127.561 121.223 0.167 0.000 2.249 302 L HA 0.353 4.694 4.340 0.001 0.000 0.207 302 L C 0.929 177.863 176.870 0.108 0.000 1.090 302 L CA 0.260 55.181 54.840 0.135 0.000 0.802 302 L CB -0.139 41.997 42.059 0.129 0.000 0.947 302 L HN 0.704 nan 8.230 nan 0.000 0.453 303 A N -1.205 121.681 122.820 0.110 0.000 2.574 303 A HA 0.696 5.017 4.320 0.001 0.000 0.297 303 A C -0.786 176.869 177.584 0.119 0.000 1.062 303 A CA -0.292 51.802 52.037 0.096 0.000 0.686 303 A CB 1.956 20.992 19.000 0.060 0.000 1.285 303 A HN -0.138 nan 8.150 nan 0.000 0.403 304 T N -0.018 114.605 114.554 0.114 0.000 3.047 304 T HA 0.701 5.052 4.350 0.001 0.000 0.340 304 T C -1.247 173.513 174.700 0.101 0.000 1.421 304 T CA 0.381 62.557 62.100 0.126 0.000 1.090 304 T CB 1.697 70.656 68.868 0.151 0.000 1.292 304 T HN 1.667 nan 8.240 nan 0.000 0.480 305 T N 2.357 116.970 114.554 0.099 0.000 2.840 305 T HA 0.689 5.040 4.350 0.001 0.000 0.317 305 T C -2.151 172.581 174.700 0.053 0.000 1.401 305 T CA -0.547 61.595 62.100 0.070 0.000 1.028 305 T CB 1.732 70.644 68.868 0.073 0.000 1.317 305 T HN 0.915 nan 8.240 nan 0.000 0.495 306 Q N 2.264 122.083 119.800 0.032 0.000 2.416 306 Q HA 0.793 5.134 4.340 0.001 0.000 0.281 306 Q C -1.435 174.575 176.000 0.017 0.000 1.067 306 Q CA -1.315 54.496 55.803 0.014 0.000 0.809 306 Q CB 1.871 30.612 28.738 0.005 0.000 1.418 306 Q HN 0.325 nan 8.270 nan 0.000 0.411 307 R N 1.338 121.841 120.500 0.006 0.000 2.670 307 R HA 0.588 4.929 4.340 0.001 0.000 0.289 307 R C -2.609 173.714 176.300 0.038 0.000 0.965 307 R CA -2.102 54.002 56.100 0.008 0.000 0.899 307 R CB 1.610 31.884 30.300 -0.044 0.000 1.173 307 R HN 0.633 nan 8.270 nan 0.000 0.456 308 P HA 0.164 nan 4.420 nan 0.000 0.274 308 P C -0.246 177.165 177.300 0.185 0.000 1.246 308 P CA -0.089 63.059 63.100 0.079 0.000 0.795 308 P CB 1.049 32.804 31.700 0.091 0.000 1.006 309 T N -0.263 114.415 114.554 0.205 0.000 2.696 309 T HA 0.757 5.108 4.350 0.001 0.000 0.291 309 T C -1.599 173.210 174.700 0.182 0.000 1.095 309 T CA -0.613 61.611 62.100 0.207 0.000 1.026 309 T CB 0.609 69.482 68.868 0.007 0.000 1.390 309 T HN 0.334 nan 8.240 nan 0.000 0.513 310 F N 0.015 119.918 119.950 -0.079 0.000 2.613 310 F HA 0.684 5.212 4.527 0.001 0.000 0.314 310 F C -0.710 175.050 175.800 -0.066 0.000 1.075 310 F CA -1.353 56.551 58.000 -0.160 0.000 0.945 310 F CB 0.858 39.636 39.000 -0.369 0.000 1.310 310 F HN 0.366 nan 8.300 nan 0.000 0.467 311 D N 1.655 122.072 120.400 0.028 0.000 2.339 311 D HA 0.310 4.951 4.640 0.001 0.000 0.256 311 D C 0.948 177.319 176.300 0.119 0.000 1.214 311 D CA 0.369 54.362 54.000 -0.012 0.000 0.877 311 D CB 1.869 42.683 40.800 0.024 0.000 1.111 311 D HN 0.826 nan 8.370 nan 0.000 0.478 312 A N 3.992 126.809 122.820 -0.005 0.000 1.969 312 A HA -0.178 4.143 4.320 0.001 0.000 0.218 312 A C 1.779 179.463 177.584 0.166 0.000 1.169 312 A CA 1.354 53.505 52.037 0.189 0.000 0.635 312 A CB -0.072 18.966 19.000 0.063 0.000 0.810 312 A HN 0.620 nan 8.150 nan 0.000 0.445 313 D N -0.765 119.686 120.400 0.085 0.000 2.110 313 D HA -0.108 4.533 4.640 0.001 0.000 0.202 313 D C 2.121 178.461 176.300 0.065 0.000 0.975 313 D CA 2.126 56.165 54.000 0.064 0.000 0.839 313 D CB -0.043 40.779 40.800 0.036 0.000 0.996 313 D HN 0.434 nan 8.370 nan 0.000 0.464 314 T N -2.761 111.831 114.554 0.062 0.000 3.107 314 T HA 0.140 4.491 4.350 0.001 0.000 0.249 314 T C 0.780 175.516 174.700 0.059 0.000 1.096 314 T CA -0.031 62.098 62.100 0.049 0.000 1.012 314 T CB 0.093 68.981 68.868 0.034 0.000 0.977 314 T HN 0.018 nan 8.240 nan 0.000 0.527 315 K N 0.162 120.622 120.400 0.101 0.000 3.529 315 K HA -0.179 4.142 4.320 0.001 0.000 0.313 315 K C 0.070 176.705 176.600 0.058 0.000 1.316 315 K CA 0.968 57.314 56.287 0.098 0.000 0.988 315 K CB -1.947 30.579 32.500 0.043 0.000 1.252 315 K HN 0.777 nan 8.250 nan 0.000 0.438 316 E N 0.379 120.614 120.200 0.058 0.000 2.384 316 E HA 0.223 4.574 4.350 0.001 0.000 0.266 316 E C 1.247 177.863 176.600 0.028 0.000 1.012 316 E CA 1.190 57.607 56.400 0.028 0.000 0.901 316 E CB 0.202 29.916 29.700 0.024 0.000 0.967 316 E HN 0.385 nan 8.360 nan 0.000 0.435 317 G N 4.136 112.927 108.800 -0.015 0.000 2.218 317 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 317 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 317 G C 0.375 175.165 174.900 -0.184 0.000 0.994 317 G CA -0.038 45.040 45.100 -0.037 0.000 0.637 317 G HN 0.592 nan 8.290 nan 0.000 0.505 318 I N 4.032 124.436 120.570 -0.277 0.000 2.352 318 I HA 0.205 4.375 4.170 0.001 0.000 0.303 318 I C 1.633 177.657 176.117 -0.154 0.000 1.194 318 I CA 0.495 61.513 61.300 -0.470 0.000 1.518 318 I CB -0.360 37.405 38.000 -0.392 0.000 1.489 318 I HN 0.367 nan 8.210 nan 0.000 0.702 319 T N 0.349 114.876 114.554 -0.045 0.000 2.701 319 T HA 0.106 4.457 4.350 0.001 0.000 0.303 319 T C 1.099 175.849 174.700 0.083 0.000 1.030 319 T CA -0.444 61.684 62.100 0.047 0.000 1.010 319 T CB 1.068 69.987 68.868 0.085 0.000 1.007 319 T HN 0.507 nan 8.240 nan 0.000 0.532 320 E N 0.696 120.936 120.200 0.067 0.000 2.106 320 E HA -0.131 4.220 4.350 0.001 0.000 0.192 320 E C 1.531 178.186 176.600 0.091 0.000 0.984 320 E CA 1.320 57.763 56.400 0.071 0.000 0.806 320 E CB -0.084 29.643 29.700 0.046 0.000 0.750 320 E HN 0.830 nan 8.360 nan 0.000 0.458 321 D N -0.024 120.426 120.400 0.083 0.000 2.340 321 D HA -0.107 4.534 4.640 0.001 0.000 0.220 321 D C 0.269 176.608 176.300 0.065 0.000 1.039 321 D CA -0.288 53.750 54.000 0.063 0.000 0.866 321 D CB -0.642 40.175 40.800 0.028 0.000 0.913 321 D HN -0.023 nan 8.370 nan 0.000 0.523 322 F N 1.891 121.802 119.950 -0.065 0.000 2.549 322 F HA 0.013 4.541 4.527 0.002 0.000 0.400 322 F C 0.045 175.724 175.800 -0.202 0.000 1.011 322 F CA -0.026 57.865 58.000 -0.181 0.000 1.148 322 F CB 0.462 39.282 39.000 -0.300 0.000 0.993 322 F HN -0.272 nan 8.300 nan 0.000 0.540 323 V N 7.508 127.052 119.914 -0.618 0.000 2.406 323 V HA -0.050 4.071 4.120 0.001 0.000 0.272 323 V C -0.461 175.293 176.094 -0.567 0.000 1.043 323 V CA -0.692 61.378 62.300 -0.382 0.000 0.915 323 V CB 0.640 32.305 31.823 -0.263 0.000 0.988 323 V HN 0.723 nan 8.190 nan 0.000 0.466 324 W N 5.698 126.929 121.300 -0.115 0.000 1.606 324 W HA 0.409 5.070 4.660 0.001 0.000 0.455 324 W C 0.845 177.309 176.519 -0.092 0.000 0.711 324 W CA -0.210 57.116 57.345 -0.030 0.000 1.876 324 W CB -0.110 29.380 29.460 0.051 0.000 1.776 324 W HN 0.398 nan 8.180 nan 0.000 0.229 325 R N 2.192 122.631 120.500 -0.103 0.000 2.502 325 R HA 0.118 4.459 4.340 0.001 0.000 0.300 325 R C -1.123 175.027 176.300 -0.251 0.000 0.984 325 R CA -0.636 55.347 56.100 -0.195 0.000 0.882 325 R CB 1.190 31.337 30.300 -0.255 0.000 1.180 325 R HN -0.016 nan 8.270 nan 0.000 0.444 326 D N 6.410 126.615 120.400 -0.324 0.000 2.380 326 D HA 0.081 4.722 4.640 0.001 0.000 0.230 326 D C 1.608 177.663 176.300 -0.409 0.000 1.154 326 D CA -0.431 53.374 54.000 -0.325 0.000 0.859 326 D CB 0.872 41.477 40.800 -0.325 0.000 1.045 326 D HN 0.684 nan 8.370 nan 0.000 0.495 327 I N 1.453 121.861 120.570 -0.271 0.000 3.083 327 I HA -0.125 4.046 4.170 0.001 0.000 0.273 327 I C 1.789 177.829 176.117 -0.128 0.000 1.297 327 I CA 0.166 61.313 61.300 -0.255 0.000 1.452 327 I CB -0.240 37.587 38.000 -0.289 0.000 1.078 327 I HN 0.249 nan 8.210 nan 0.000 0.484 328 L N 2.022 123.221 121.223 -0.040 0.000 2.141 328 L HA -0.151 4.190 4.340 0.001 0.000 0.209 328 L C 1.841 178.832 176.870 0.202 0.000 1.094 328 L CA 1.863 56.783 54.840 0.132 0.000 0.763 328 L CB -0.531 41.679 42.059 0.253 0.000 0.908 328 L HN 0.601 nan 8.230 nan 0.000 0.437 329 Y N -3.770 116.533 120.300 0.005 0.000 2.791 329 Y HA 0.457 5.008 4.550 0.001 0.000 0.263 329 Y C 0.709 176.554 175.900 -0.091 0.000 1.089 329 Y CA -0.599 57.505 58.100 0.008 0.000 1.253 329 Y CB -0.750 37.768 38.460 0.097 0.000 1.360 329 Y HN 0.169 nan 8.280 nan 0.000 0.569 330 Q N 1.062 120.503 119.800 -0.598 0.000 2.129 330 Q HA 0.402 4.743 4.340 0.001 0.000 0.274 330 Q C -0.576 174.752 176.000 -1.121 0.000 0.854 330 Q CA -0.219 54.934 55.803 -1.084 0.000 1.123 330 Q CB 1.369 29.535 28.738 -0.953 0.000 1.226 330 Q HN 0.211 nan 8.270 nan 0.000 0.454 331 S N 0.913 116.325 115.700 -0.479 0.000 2.668 331 S HA 0.353 4.823 4.470 0.001 0.000 0.277 331 S C -1.417 173.302 174.600 0.199 0.000 1.170 331 S CA -0.711 57.417 58.200 -0.122 0.000 0.994 331 S CB 0.669 63.772 63.200 -0.161 0.000 1.051 331 S HN 0.203 nan 8.310 nan 0.000 0.484 332 N N 4.105 122.979 118.700 0.289 0.000 2.444 332 N HA 0.445 5.186 4.740 0.001 0.000 0.271 332 N C -0.859 174.787 175.510 0.227 0.000 1.069 332 N CA 0.012 53.195 53.050 0.221 0.000 0.965 332 N CB 0.827 39.413 38.487 0.164 0.000 1.092 332 N HN 0.710 nan 8.380 nan 0.000 0.476 333 Y N -1.706 118.621 120.300 0.045 0.000 2.588 333 Y HA 0.482 5.032 4.550 0.001 0.000 0.343 333 Y C -0.563 175.358 175.900 0.035 0.000 1.065 333 Y CA -1.320 56.799 58.100 0.031 0.000 1.038 333 Y CB 0.886 39.356 38.460 0.018 0.000 1.297 333 Y HN 0.240 nan 8.280 nan 0.000 0.467 334 E N 4.274 124.527 120.200 0.089 0.000 2.180 334 E HA 0.170 4.520 4.350 0.001 0.000 0.283 334 E C -1.903 174.743 176.600 0.076 0.000 1.061 334 E CA -1.923 54.479 56.400 0.003 0.000 0.861 334 E CB 1.211 30.956 29.700 0.076 0.000 1.056 334 E HN 0.517 nan 8.360 nan 0.000 0.407 335 P HA -0.072 nan 4.420 nan 0.000 0.225 335 P C 0.849 178.249 177.300 0.166 0.000 1.156 335 P CA 1.018 64.186 63.100 0.114 0.000 0.787 335 P CB 0.364 32.037 31.700 -0.044 0.000 0.802 336 G N 0.428 109.280 108.800 0.085 0.000 2.547 336 G HA2 -0.295 3.666 3.960 0.001 0.000 0.271 336 G HA3 -0.295 3.666 3.960 0.001 0.000 0.271 336 G C 1.024 175.995 174.900 0.119 0.000 1.209 336 G CA 0.350 45.510 45.100 0.100 0.000 0.959 336 G HN 0.177 nan 8.290 nan 0.000 0.563 337 S N 0.818 116.585 115.700 0.112 0.000 2.555 337 S HA 0.017 4.488 4.470 0.001 0.000 0.230 337 S C 2.500 177.163 174.600 0.105 0.000 0.978 337 S CA 2.118 60.379 58.200 0.103 0.000 0.934 337 S CB -0.400 62.821 63.200 0.035 0.000 0.766 337 S HN 1.496 nan 8.310 nan 0.000 0.533 338 T N -0.289 114.362 114.554 0.162 0.000 2.962 338 T HA -0.018 4.333 4.350 0.001 0.000 0.270 338 T C 1.629 176.460 174.700 0.218 0.000 1.088 338 T CA 0.844 63.086 62.100 0.237 0.000 1.127 338 T CB -0.416 68.687 68.868 0.393 0.000 0.883 338 T HN 0.249 nan 8.240 nan 0.000 0.493 339 M N 1.464 121.136 119.600 0.120 0.000 2.279 339 M HA 0.100 4.581 4.480 0.001 0.000 0.264 339 M C 1.926 178.288 176.300 0.103 0.000 1.062 339 M CA 1.331 56.656 55.300 0.041 0.000 1.099 339 M CB -0.594 31.984 32.600 -0.035 0.000 1.394 339 M HN 0.156 nan 8.290 nan 0.000 0.426 340 K N -0.983 119.505 120.400 0.147 0.000 2.218 340 K HA -0.137 4.184 4.320 0.001 0.000 0.205 340 K C 1.728 178.528 176.600 0.333 0.000 1.046 340 K CA 1.439 57.849 56.287 0.204 0.000 0.933 340 K CB -0.443 32.168 32.500 0.185 0.000 0.728 340 K HN 0.273 nan 8.250 nan 0.000 0.454 341 V N 0.983 121.101 119.914 0.340 0.000 2.287 341 V HA -0.291 3.829 4.120 0.001 0.000 0.248 341 V C 2.178 178.326 176.094 0.090 0.000 1.053 341 V CA 1.756 64.234 62.300 0.297 0.000 1.027 341 V CB -0.342 31.683 31.823 0.336 0.000 0.646 341 V HN 0.296 nan 8.190 nan 0.000 0.447 342 M N -1.229 118.378 119.600 0.011 0.000 2.175 342 M HA -0.110 4.371 4.480 0.001 0.000 0.264 342 M C 2.034 178.358 176.300 0.040 0.000 1.063 342 M CA 1.890 57.088 55.300 -0.170 0.000 1.119 342 M CB -0.792 31.579 32.600 -0.382 0.000 1.377 342 M HN 0.379 nan 8.290 nan 0.000 0.415 343 M N -0.468 119.155 119.600 0.039 0.000 2.117 343 M HA -0.126 4.355 4.480 0.001 0.000 0.262 343 M C 1.837 177.989 176.300 -0.246 0.000 1.065 343 M CA 1.651 56.807 55.300 -0.240 0.000 1.114 343 M CB -0.631 31.701 32.600 -0.446 0.000 1.361 343 M HN 0.249 nan 8.290 nan 0.000 0.408 344 L N 0.466 121.564 121.223 -0.209 0.000 1.989 344 L HA -0.051 4.289 4.340 0.001 0.000 0.211 344 L C 2.398 179.033 176.870 -0.393 0.000 1.071 344 L CA 2.393 56.982 54.840 -0.420 0.000 0.749 344 L CB -1.371 40.301 42.059 -0.644 0.000 0.890 344 L HN 0.372 nan 8.230 nan 0.000 0.431 345 A N -0.628 122.064 122.820 -0.215 0.000 1.908 345 A HA -0.180 4.141 4.320 0.001 0.000 0.218 345 A C 2.437 179.954 177.584 -0.112 0.000 1.181 345 A CA 2.096 54.077 52.037 -0.094 0.000 0.627 345 A CB -1.233 17.832 19.000 0.107 0.000 0.818 345 A HN 0.609 nan 8.150 nan 0.000 0.445 346 A N -0.185 122.543 122.820 -0.154 0.000 1.877 346 A HA 0.152 4.472 4.320 0.001 0.000 0.216 346 A C 2.545 179.819 177.584 -0.517 0.000 1.186 346 A CA 2.218 53.900 52.037 -0.590 0.000 0.620 346 A CB -1.124 17.629 19.000 -0.411 0.000 0.822 346 A HN 1.106 nan 8.150 nan 0.000 0.443 347 A N 0.024 122.650 122.820 -0.323 0.000 1.883 347 A HA -0.125 4.196 4.320 0.001 0.000 0.217 347 A C 2.136 179.655 177.584 -0.110 0.000 1.186 347 A CA 1.661 53.574 52.037 -0.208 0.000 0.624 347 A CB -0.697 18.185 19.000 -0.198 0.000 0.822 347 A HN 0.513 nan 8.150 nan 0.000 0.444 348 I N -0.407 120.062 120.570 -0.168 0.000 2.142 348 I HA -0.271 3.900 4.170 0.001 0.000 0.240 348 I C 2.304 178.415 176.117 -0.009 0.000 1.078 348 I CA 2.001 63.265 61.300 -0.060 0.000 1.343 348 I CB -0.528 37.383 38.000 -0.150 0.000 1.046 348 I HN 0.401 nan 8.210 nan 0.000 0.405 349 D N 0.921 121.302 120.400 -0.031 0.000 2.182 349 D HA -0.263 4.378 4.640 0.001 0.000 0.201 349 D C 1.734 178.104 176.300 0.117 0.000 0.986 349 D CA 1.251 55.286 54.000 0.059 0.000 0.847 349 D CB -0.120 40.754 40.800 0.124 0.000 0.942 349 D HN 0.191 nan 8.370 nan 0.000 0.467 350 N N -0.335 118.417 118.700 0.086 0.000 2.314 350 N HA 0.011 4.752 4.740 0.001 0.000 0.200 350 N C -0.694 174.864 175.510 0.080 0.000 1.135 350 N CA 0.100 53.236 53.050 0.144 0.000 0.835 350 N CB -0.381 38.215 38.487 0.182 0.000 0.989 350 N HN 0.119 nan 8.380 nan 0.000 0.478 351 N N -1.090 117.645 118.700 0.060 0.000 2.710 351 N HA -0.194 4.547 4.740 0.001 0.000 0.249 351 N C -0.902 174.624 175.510 0.027 0.000 1.059 351 N CA 1.213 54.292 53.050 0.047 0.000 0.720 351 N CB -1.478 37.035 38.487 0.042 0.000 0.983 351 N HN 0.420 nan 8.380 nan 0.000 0.544 352 T N -3.662 110.904 114.554 0.021 0.000 3.415 352 T HA 0.299 4.650 4.350 0.001 0.000 0.282 352 T C -0.618 174.061 174.700 -0.034 0.000 1.007 352 T CA -0.558 61.526 62.100 -0.026 0.000 0.958 352 T CB -0.212 68.636 68.868 -0.034 0.000 1.171 352 T HN 0.257 nan 8.240 nan 0.000 0.500 353 F N 3.731 123.575 119.950 -0.176 0.000 2.564 353 F HA 0.471 4.999 4.527 0.001 0.000 0.368 353 F C -2.489 173.221 175.800 -0.150 0.000 1.127 353 F CA -2.753 55.114 58.000 -0.222 0.000 1.170 353 F CB 1.621 40.516 39.000 -0.176 0.000 1.397 353 F HN -0.028 nan 8.300 nan 0.000 0.493 354 P HA 0.196 nan 4.420 nan 0.000 0.252 354 P C 1.066 178.014 177.300 -0.587 0.000 1.727 354 P CA 0.158 63.006 63.100 -0.421 0.000 1.134 354 P CB 0.650 32.236 31.700 -0.189 0.000 1.876 355 G N 2.987 111.232 108.800 -0.925 0.000 2.505 355 G HA2 -0.276 3.685 3.960 0.001 0.000 0.220 355 G HA3 -0.276 3.685 3.960 0.001 0.000 0.220 355 G C 1.434 176.218 174.900 -0.194 0.000 1.145 355 G CA 0.846 45.495 45.100 -0.752 0.000 0.761 355 G HN 0.520 nan 8.290 nan 0.000 0.571 356 G N -0.450 108.282 108.800 -0.113 0.000 2.777 356 G HA2 0.167 4.128 3.960 0.001 0.000 0.211 356 G HA3 0.167 4.128 3.960 0.001 0.000 0.211 356 G C 0.594 175.491 174.900 -0.004 0.000 1.149 356 G CA 0.196 45.277 45.100 -0.033 0.000 0.785 356 G HN 0.527 nan 8.290 nan 0.000 0.536 357 E N 0.733 120.962 120.200 0.049 0.000 2.338 357 E HA 0.310 4.661 4.350 0.001 0.000 0.272 357 E C -0.572 176.058 176.600 0.050 0.000 1.029 357 E CA -0.438 56.022 56.400 0.101 0.000 0.872 357 E CB 1.121 30.942 29.700 0.202 0.000 1.015 357 E HN -0.098 nan 8.360 nan 0.000 0.417 358 V N 5.409 125.298 119.914 -0.042 0.000 2.686 358 V HA 0.339 4.460 4.120 0.001 0.000 0.295 358 V C -0.253 175.734 176.094 -0.179 0.000 1.057 358 V CA -0.116 62.072 62.300 -0.187 0.000 1.012 358 V CB 0.553 32.269 31.823 -0.177 0.000 1.006 358 V HN 0.575 nan 8.190 nan 0.000 0.477 359 F N 2.097 121.787 119.950 -0.433 0.000 2.613 359 F HA 0.515 5.043 4.527 0.001 0.000 0.314 359 F C -0.473 175.177 175.800 -0.250 0.000 1.075 359 F CA -1.248 56.528 58.000 -0.375 0.000 0.945 359 F CB 1.578 40.183 39.000 -0.660 0.000 1.310 359 F HN 0.437 nan 8.300 nan 0.000 0.467 360 N N 1.086 119.764 118.700 -0.037 0.000 2.422 360 N HA 0.151 4.892 4.740 0.001 0.000 0.264 360 N C 0.180 175.725 175.510 0.059 0.000 1.063 360 N CA 0.188 53.189 53.050 -0.081 0.000 0.959 360 N CB 1.267 39.739 38.487 -0.026 0.000 1.087 360 N HN 0.863 nan 8.380 nan 0.000 0.483 361 S N 1.369 117.028 115.700 -0.068 0.000 2.597 361 S HA 0.040 4.511 4.470 0.001 0.000 0.224 361 S C 0.454 175.065 174.600 0.018 0.000 0.955 361 S CA -0.673 57.567 58.200 0.067 0.000 0.933 361 S CB -0.311 62.869 63.200 -0.034 0.000 0.788 361 S HN 0.516 nan 8.310 nan 0.000 0.488 362 S N 1.222 116.920 115.700 -0.003 0.000 2.624 362 S HA 0.311 4.782 4.470 0.001 0.000 0.263 362 S C -0.096 174.509 174.600 0.009 0.000 1.287 362 S CA -0.879 57.314 58.200 -0.012 0.000 0.990 362 S CB 0.091 63.279 63.200 -0.020 0.000 0.950 362 S HN 0.541 nan 8.310 nan 0.000 0.561 363 E N 0.335 120.535 120.200 0.001 0.000 2.568 363 E HA 0.044 4.395 4.350 0.001 0.000 0.262 363 E C -0.776 175.837 176.600 0.023 0.000 0.961 363 E CA 0.355 56.760 56.400 0.009 0.000 0.945 363 E CB 0.066 29.772 29.700 0.010 0.000 0.924 363 E HN 0.399 nan 8.360 nan 0.000 0.467 364 L N 3.096 124.338 121.223 0.031 0.000 2.317 364 L HA 0.354 4.694 4.340 0.001 0.000 0.281 364 L C 0.185 177.083 176.870 0.047 0.000 1.024 364 L CA -0.595 54.270 54.840 0.042 0.000 0.810 364 L CB 1.286 43.376 42.059 0.051 0.000 1.240 364 L HN 0.370 nan 8.230 nan 0.000 0.427 365 K N 4.703 125.130 120.400 0.044 0.000 2.367 365 K HA 0.556 4.877 4.320 0.001 0.000 0.263 365 K C -1.206 175.423 176.600 0.049 0.000 1.000 365 K CA -0.411 55.904 56.287 0.047 0.000 0.891 365 K CB 0.844 33.366 32.500 0.037 0.000 1.117 365 K HN 0.528 nan 8.250 nan 0.000 0.443 366 I N 4.606 125.211 120.570 0.059 0.000 2.362 366 I HA 0.261 4.432 4.170 0.001 0.000 0.289 366 I C 0.782 176.931 176.117 0.052 0.000 0.994 366 I CA -0.287 61.047 61.300 0.056 0.000 1.158 366 I CB 1.551 39.591 38.000 0.066 0.000 1.315 366 I HN 1.002 nan 8.210 nan 0.000 0.451 367 A N 5.897 128.742 122.820 0.042 0.000 5.251 367 A HA -0.319 4.002 4.320 0.001 0.000 0.334 367 A C 1.197 178.803 177.584 0.036 0.000 1.764 367 A CA 1.895 53.954 52.037 0.036 0.000 0.708 367 A CB -1.309 17.712 19.000 0.035 0.000 1.420 367 A HN 0.906 nan 8.150 nan 0.000 0.394 368 D N 0.873 121.295 120.400 0.037 0.000 2.342 368 D HA 0.523 5.163 4.640 0.001 0.000 0.221 368 D C 0.316 176.645 176.300 0.047 0.000 1.101 368 D CA 0.951 54.973 54.000 0.036 0.000 0.837 368 D CB -0.228 40.589 40.800 0.028 0.000 0.938 368 D HN 1.260 nan 8.370 nan 0.000 0.508 369 A N 0.031 122.886 122.820 0.058 0.000 2.384 369 A HA 0.673 4.993 4.320 0.001 0.000 0.312 369 A C -0.428 177.204 177.584 0.079 0.000 1.113 369 A CA -0.542 51.542 52.037 0.077 0.000 0.779 369 A CB 1.754 20.812 19.000 0.096 0.000 1.307 369 A HN 0.043 nan 8.150 nan 0.000 0.436 370 T N 1.392 115.999 114.554 0.088 0.000 2.841 370 T HA 0.574 4.925 4.350 0.001 0.000 0.283 370 T C -0.553 174.202 174.700 0.091 0.000 1.000 370 T CA -0.003 62.142 62.100 0.076 0.000 0.977 370 T CB 0.837 69.740 68.868 0.059 0.000 0.979 370 T HN 0.429 nan 8.240 nan 0.000 0.446 371 I N 3.043 123.657 120.570 0.073 0.000 2.339 371 I HA 0.473 4.644 4.170 0.001 0.000 0.290 371 I C 0.342 176.446 176.117 -0.023 0.000 0.994 371 I CA -0.616 60.711 61.300 0.044 0.000 1.191 371 I CB 1.164 39.212 38.000 0.080 0.000 1.343 371 I HN 0.287 nan 8.210 nan 0.000 0.458 372 R N 3.883 124.345 120.500 -0.064 0.000 2.740 372 R HA 0.434 4.775 4.340 0.001 0.000 0.282 372 R C -1.310 174.927 176.300 -0.104 0.000 0.969 372 R CA -1.031 55.034 56.100 -0.059 0.000 0.918 372 R CB 2.047 32.337 30.300 -0.016 0.000 1.175 372 R HN 0.449 nan 8.270 nan 0.000 0.464 373 D N 1.562 121.907 120.400 -0.092 0.000 2.313 373 D HA 0.030 4.671 4.640 0.001 0.000 0.247 373 D C 1.074 177.322 176.300 -0.088 0.000 1.094 373 D CA -0.302 53.630 54.000 -0.114 0.000 0.925 373 D CB 0.545 41.243 40.800 -0.170 0.000 1.188 373 D HN 0.573 nan 8.370 nan 0.000 0.430 374 W N 0.658 121.918 121.300 -0.066 0.000 2.538 374 W HA -0.059 4.602 4.660 0.002 0.000 0.254 374 W C -0.086 176.423 176.519 -0.017 0.000 1.249 374 W CA 0.146 57.456 57.345 -0.057 0.000 1.253 374 W CB -0.374 29.029 29.460 -0.094 0.000 1.130 374 W HN 0.159 nan 8.180 nan 0.000 0.618 375 D N 1.558 121.585 120.400 -0.622 0.000 2.363 375 D HA -0.032 4.609 4.640 0.001 0.000 0.226 375 D C 1.031 177.205 176.300 -0.211 0.000 1.020 375 D CA 0.347 54.022 54.000 -0.542 0.000 0.892 375 D CB 0.141 40.572 40.800 -0.615 0.000 0.900 375 D HN -0.067 nan 8.370 nan 0.000 0.531 376 V N 1.575 121.419 119.914 -0.118 0.000 2.644 376 V HA -0.152 3.969 4.120 0.001 0.000 0.305 376 V C 0.408 176.484 176.094 -0.030 0.000 1.053 376 V CA 0.495 62.760 62.300 -0.058 0.000 1.186 376 V CB -0.459 31.351 31.823 -0.022 0.000 0.895 376 V HN 0.424 nan 8.190 nan 0.000 0.490 377 N N 2.758 121.439 118.700 -0.031 0.000 2.713 377 N HA -0.193 4.548 4.740 0.001 0.000 0.251 377 N C -0.170 175.329 175.510 -0.018 0.000 1.117 377 N CA 1.468 54.508 53.050 -0.018 0.000 0.770 377 N CB -0.549 37.938 38.487 0.000 0.000 1.137 377 N HN 0.897 nan 8.380 nan 0.000 0.566 378 E N -1.403 118.775 120.200 -0.037 0.000 2.431 378 E HA 0.699 5.049 4.350 0.001 0.000 0.268 378 E C 0.553 177.114 176.600 -0.064 0.000 0.953 378 E CA -0.609 55.772 56.400 -0.032 0.000 0.810 378 E CB 1.853 31.550 29.700 -0.004 0.000 1.369 378 E HN 0.203 nan 8.360 nan 0.000 0.440 379 G N 0.025 108.795 108.800 -0.050 0.000 2.760 379 G HA2 -0.231 3.730 3.960 0.001 0.000 0.246 379 G HA3 -0.231 3.730 3.960 0.001 0.000 0.246 379 G C -0.498 174.368 174.900 -0.058 0.000 1.359 379 G CA -0.647 44.413 45.100 -0.066 0.000 0.861 379 G HN 0.376 nan 8.290 nan 0.000 0.541 380 L N 0.125 121.308 121.223 -0.067 0.000 2.492 380 L HA 0.222 4.563 4.340 0.001 0.000 0.280 380 L C 2.667 179.504 176.870 -0.055 0.000 1.240 380 L CA 0.996 55.800 54.840 -0.060 0.000 0.831 380 L CB 0.470 42.488 42.059 -0.069 0.000 1.100 380 L HN 1.113 nan 8.230 nan 0.000 0.505 381 T N -0.050 114.476 114.554 -0.046 0.000 2.721 381 T HA -0.014 4.337 4.350 0.001 0.000 0.268 381 T C 0.667 175.337 174.700 -0.049 0.000 1.038 381 T CA 1.490 63.565 62.100 -0.042 0.000 1.145 381 T CB -0.112 68.735 68.868 -0.035 0.000 0.858 381 T HN 0.915 nan 8.240 nan 0.000 0.459 382 G N -2.198 106.569 108.800 -0.056 0.000 2.399 382 G HA2 0.500 4.461 3.960 0.001 0.000 0.256 382 G HA3 0.500 4.461 3.960 0.001 0.000 0.256 382 G C 0.270 175.130 174.900 -0.066 0.000 1.236 382 G CA 0.134 45.195 45.100 -0.064 0.000 0.914 382 G HN 1.171 nan 8.290 nan 0.000 0.482 383 G N -0.531 108.229 108.800 -0.067 0.000 1.745 383 G HA2 0.345 4.306 3.960 0.001 0.000 0.063 383 G HA3 0.345 4.306 3.960 0.001 0.000 0.063 383 G C -0.114 174.743 174.900 -0.071 0.000 1.838 383 G CA 0.685 45.747 45.100 -0.064 0.000 1.210 383 G HN 1.043 nan 8.290 nan 0.000 0.375 384 R N 0.554 121.008 120.500 -0.077 0.000 2.621 384 R HA 0.770 5.111 4.340 0.001 0.000 0.292 384 R C -0.068 176.147 176.300 -0.142 0.000 0.969 384 R CA -0.596 55.450 56.100 -0.091 0.000 0.887 384 R CB 1.280 31.547 30.300 -0.057 0.000 1.180 384 R HN 0.445 nan 8.270 nan 0.000 0.450 385 M N 4.817 124.293 119.600 -0.208 0.000 2.288 385 M HA 0.365 4.846 4.480 0.001 0.000 0.334 385 M C 0.198 176.235 176.300 -0.438 0.000 1.150 385 M CA -0.330 54.756 55.300 -0.356 0.000 1.118 385 M CB 1.451 33.824 32.600 -0.379 0.000 1.501 385 M HN 0.448 nan 8.290 nan 0.000 0.462 386 M N -0.002 119.181 119.600 -0.694 0.000 2.359 386 M HA 0.499 4.979 4.480 0.001 0.000 0.322 386 M C 0.137 176.068 176.300 -0.614 0.000 1.166 386 M CA -0.910 53.978 55.300 -0.686 0.000 1.067 386 M CB 0.756 32.852 32.600 -0.839 0.000 1.523 386 M HN 0.741 nan 8.290 nan 0.000 0.467 387 T N -1.416 112.936 114.554 -0.337 0.000 2.802 387 T HA 0.218 4.569 4.350 0.001 0.000 0.305 387 T C 0.557 175.291 174.700 0.056 0.000 1.053 387 T CA -0.168 61.850 62.100 -0.136 0.000 1.058 387 T CB 0.396 69.231 68.868 -0.056 0.000 0.988 387 T HN 0.534 nan 8.240 nan 0.000 0.539 388 F N 0.822 120.891 119.950 0.197 0.000 2.171 388 F HA -0.026 4.502 4.527 0.001 0.000 0.300 388 F C 3.111 179.092 175.800 0.302 0.000 1.090 388 F CA 1.522 59.661 58.000 0.231 0.000 1.293 388 F CB -0.896 38.082 39.000 -0.037 0.000 1.013 388 F HN 0.594 nan 8.300 nan 0.000 0.486 389 S N -0.360 115.575 115.700 0.392 0.000 2.365 389 S HA -0.283 4.188 4.470 0.001 0.000 0.225 389 S C 1.967 176.761 174.600 0.323 0.000 1.039 389 S CA 1.614 60.057 58.200 0.406 0.000 1.033 389 S CB -0.410 62.949 63.200 0.264 0.000 0.887 389 S HN 0.486 nan 8.310 nan 0.000 0.447 390 Q N -0.049 119.838 119.800 0.144 0.000 2.167 390 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 390 Q C 2.486 178.529 176.000 0.073 0.000 0.970 390 Q CA 1.096 56.875 55.803 -0.041 0.000 0.855 390 Q CB -0.455 27.962 28.738 -0.536 0.000 0.911 390 Q HN 0.625 nan 8.270 nan 0.000 0.438 391 G N 0.408 109.348 108.800 0.234 0.000 2.450 391 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 391 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 391 G C 1.150 176.269 174.900 0.365 0.000 1.130 391 G CA 0.428 45.760 45.100 0.386 0.000 0.760 391 G HN 0.326 nan 8.290 nan 0.000 0.557 392 F N 2.177 122.272 119.950 0.241 0.000 2.128 392 F HA 0.191 4.719 4.527 0.001 0.000 0.295 392 F C 2.762 178.681 175.800 0.198 0.000 1.100 392 F CA 1.271 59.386 58.000 0.192 0.000 1.260 392 F CB -0.231 38.866 39.000 0.162 0.000 1.009 392 F HN 0.202 nan 8.300 nan 0.000 0.476 393 A N -1.129 121.875 122.820 0.307 0.000 1.972 393 A HA -0.272 4.049 4.320 0.001 0.000 0.219 393 A C 1.761 179.490 177.584 0.241 0.000 1.169 393 A CA 2.031 54.208 52.037 0.233 0.000 0.635 393 A CB -1.205 17.988 19.000 0.322 0.000 0.810 393 A HN 0.631 nan 8.150 nan 0.000 0.446 394 H N -0.897 118.299 119.070 0.209 0.000 2.539 394 H HA 0.239 4.795 4.556 0.001 0.000 0.269 394 H C 0.655 176.180 175.328 0.328 0.000 0.980 394 H CA 0.564 56.800 56.048 0.313 0.000 1.152 394 H CB -0.099 29.863 29.762 0.334 0.000 1.407 394 H HN 0.332 nan 8.280 nan 0.000 0.564 395 S N 0.095 115.882 115.700 0.145 0.000 3.572 395 S HA -0.226 4.245 4.470 0.001 0.000 0.394 395 S C -0.059 174.644 174.600 0.172 0.000 0.923 395 S CA 0.544 58.782 58.200 0.063 0.000 1.291 395 S CB -1.701 61.489 63.200 -0.017 0.000 0.914 395 S HN 0.597 nan 8.310 nan 0.000 0.545 396 S N 1.583 117.394 115.700 0.185 0.000 2.439 396 S HA 0.453 4.924 4.470 0.001 0.000 0.282 396 S C 1.240 175.854 174.600 0.023 0.000 1.170 396 S CA -0.609 57.683 58.200 0.153 0.000 1.054 396 S CB 0.552 63.925 63.200 0.288 0.000 0.956 396 S HN 0.603 nan 8.310 nan 0.000 0.490 397 N N 3.983 122.610 118.700 -0.121 0.000 2.188 397 N HA -0.080 4.661 4.740 0.001 0.000 0.184 397 N C 1.695 177.083 175.510 -0.205 0.000 1.018 397 N CA 0.987 53.809 53.050 -0.379 0.000 0.858 397 N CB -0.470 37.511 38.487 -0.844 0.000 0.989 397 N HN 0.472 nan 8.380 nan 0.000 0.426 398 V N 0.640 120.495 119.914 -0.097 0.000 2.307 398 V HA -0.129 3.992 4.120 0.001 0.000 0.245 398 V C 2.439 178.463 176.094 -0.118 0.000 1.045 398 V CA 2.029 64.310 62.300 -0.032 0.000 1.024 398 V CB -1.315 30.548 31.823 0.068 0.000 0.651 398 V HN 0.329 nan 8.190 nan 0.000 0.449 399 G N -0.024 108.619 108.800 -0.261 0.000 2.491 399 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 399 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 399 G C 1.514 176.337 174.900 -0.129 0.000 1.180 399 G CA 1.406 46.121 45.100 -0.641 0.000 0.774 399 G HN 0.332 nan 8.290 nan 0.000 0.562 400 M N 0.708 120.293 119.600 -0.024 0.000 2.132 400 M HA -0.007 4.474 4.480 0.001 0.000 0.263 400 M C 2.689 178.971 176.300 -0.031 0.000 1.065 400 M CA 1.384 56.690 55.300 0.009 0.000 1.122 400 M CB -1.843 30.808 32.600 0.084 0.000 1.365 400 M HN 0.142 nan 8.290 nan 0.000 0.411 401 T N 1.573 116.149 114.554 0.038 0.000 2.720 401 T HA -0.082 4.269 4.350 0.001 0.000 0.268 401 T C 2.096 176.786 174.700 -0.017 0.000 1.037 401 T CA 1.084 63.214 62.100 0.049 0.000 1.144 401 T CB -0.276 68.666 68.868 0.123 0.000 0.864 401 T HN 0.295 nan 8.240 nan 0.000 0.444 402 L N 0.209 121.421 121.223 -0.019 0.000 2.093 402 L HA 0.010 4.350 4.340 0.001 0.000 0.208 402 L C 2.439 179.264 176.870 -0.075 0.000 1.085 402 L CA 0.923 55.764 54.840 0.002 0.000 0.755 402 L CB -0.482 41.624 42.059 0.078 0.000 0.904 402 L HN 0.265 nan 8.230 nan 0.000 0.435 403 L N -0.529 120.599 121.223 -0.157 0.000 2.079 403 L HA -0.225 4.116 4.340 0.001 0.000 0.210 403 L C 2.745 179.487 176.870 -0.214 0.000 1.081 403 L CA 1.124 55.799 54.840 -0.276 0.000 0.752 403 L CB -0.528 41.373 42.059 -0.264 0.000 0.896 403 L HN 0.318 nan 8.230 nan 0.000 0.433 404 E N -0.044 120.025 120.200 -0.219 0.000 2.110 404 E HA -0.223 4.128 4.350 0.001 0.000 0.193 404 E C 2.136 178.678 176.600 -0.096 0.000 0.988 404 E CA 1.153 57.413 56.400 -0.234 0.000 0.804 404 E CB 0.089 29.601 29.700 -0.313 0.000 0.745 404 E HN 0.470 nan 8.360 nan 0.000 0.458 405 Q N 0.537 120.300 119.800 -0.061 0.000 2.124 405 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 405 Q C 2.155 178.145 176.000 -0.017 0.000 0.977 405 Q CA 1.076 56.869 55.803 -0.016 0.000 0.850 405 Q CB -0.233 28.507 28.738 0.004 0.000 0.901 405 Q HN 0.309 nan 8.270 nan 0.000 0.429 406 K N 0.287 120.656 120.400 -0.051 0.000 2.026 406 K HA -0.083 4.237 4.320 0.001 0.000 0.208 406 K C 2.113 178.699 176.600 -0.023 0.000 1.048 406 K CA 1.233 57.489 56.287 -0.050 0.000 0.929 406 K CB -0.195 32.238 32.500 -0.112 0.000 0.713 406 K HN 0.185 nan 8.250 nan 0.000 0.439 407 M N 0.212 119.796 119.600 -0.026 0.000 2.156 407 M HA -0.037 4.444 4.480 0.001 0.000 0.264 407 M C 0.326 176.670 176.300 0.073 0.000 1.067 407 M CA 1.680 56.996 55.300 0.027 0.000 1.131 407 M CB 0.135 32.746 32.600 0.019 0.000 1.368 407 M HN 0.283 nan 8.290 nan 0.000 0.416 408 G N 0.535 109.375 108.800 0.066 0.000 2.662 408 G HA2 -0.184 3.776 3.960 0.001 0.000 0.686 408 G HA3 -0.184 3.776 3.960 0.001 0.000 0.686 408 G C -0.587 174.406 174.900 0.154 0.000 1.271 408 G CA -0.242 44.913 45.100 0.091 0.000 0.816 408 G HN 0.406 nan 8.290 nan 0.000 0.608 409 D N 0.243 120.726 120.400 0.139 0.000 2.123 409 D HA 0.053 4.694 4.640 0.001 0.000 0.200 409 D C 2.763 179.160 176.300 0.162 0.000 0.976 409 D CA 2.001 56.105 54.000 0.174 0.000 0.831 409 D CB -0.432 40.439 40.800 0.118 0.000 0.974 409 D HN 0.882 nan 8.370 nan 0.000 0.469 410 A N 0.408 123.297 122.820 0.115 0.000 1.902 410 A HA -0.140 4.181 4.320 0.001 0.000 0.217 410 A C 2.331 179.979 177.584 0.107 0.000 1.181 410 A CA 1.951 54.038 52.037 0.084 0.000 0.623 410 A CB -0.790 18.244 19.000 0.057 0.000 0.818 410 A HN 0.214 nan 8.150 nan 0.000 0.443 411 T N -1.677 112.976 114.554 0.165 0.000 2.942 411 T HA -0.124 4.227 4.350 0.001 0.000 0.265 411 T C 1.584 176.533 174.700 0.416 0.000 1.062 411 T CA 0.837 63.076 62.100 0.233 0.000 1.139 411 T CB -0.291 68.727 68.868 0.250 0.000 0.883 411 T HN 0.709 nan 8.240 nan 0.000 0.468 412 W N 1.576 122.978 121.300 0.170 0.000 2.379 412 W HA -0.059 4.602 4.660 0.001 0.000 0.307 412 W C 1.645 178.264 176.519 0.168 0.000 1.200 412 W CA 0.436 57.885 57.345 0.173 0.000 1.297 412 W CB -0.358 29.148 29.460 0.077 0.000 1.140 412 W HN 0.180 nan 8.180 nan 0.000 0.507 413 L N 0.990 122.186 121.223 -0.045 0.000 2.012 413 L HA -0.301 4.040 4.340 0.001 0.000 0.210 413 L C 2.254 179.052 176.870 -0.121 0.000 1.073 413 L CA 2.279 57.008 54.840 -0.184 0.000 0.748 413 L CB -0.998 41.018 42.059 -0.072 0.000 0.891 413 L HN -0.004 nan 8.230 nan 0.000 0.431 414 D N -1.305 119.075 120.400 -0.033 0.000 2.104 414 D HA -0.268 4.373 4.640 0.001 0.000 0.194 414 D C 2.034 178.278 176.300 -0.092 0.000 0.994 414 D CA 1.571 55.525 54.000 -0.077 0.000 0.830 414 D CB -0.092 40.644 40.800 -0.107 0.000 0.959 414 D HN 0.261 nan 8.370 nan 0.000 0.452 415 Y N 0.181 120.487 120.300 0.009 0.000 2.224 415 Y HA -0.058 4.493 4.550 0.001 0.000 0.289 415 Y C 2.219 178.180 175.900 0.101 0.000 1.146 415 Y CA 0.816 58.970 58.100 0.091 0.000 1.182 415 Y CB -0.250 38.382 38.460 0.287 0.000 0.983 415 Y HN 0.067 nan 8.280 nan 0.000 0.524 416 L N -0.313 120.892 121.223 -0.029 0.000 2.079 416 L HA -0.279 4.062 4.340 0.001 0.000 0.210 416 L C 1.965 178.906 176.870 0.117 0.000 1.081 416 L CA 1.212 56.039 54.840 -0.021 0.000 0.752 416 L CB -0.465 41.353 42.059 -0.402 0.000 0.896 416 L HN 0.262 nan 8.230 nan 0.000 0.433 417 N N -0.015 118.684 118.700 -0.001 0.000 2.270 417 N HA -0.107 4.634 4.740 0.001 0.000 0.181 417 N C 1.899 177.378 175.510 -0.052 0.000 1.016 417 N CA 0.960 53.995 53.050 -0.026 0.000 0.870 417 N CB -0.116 38.335 38.487 -0.059 0.000 0.979 417 N HN 0.309 nan 8.380 nan 0.000 0.431 418 R N -0.424 120.034 120.500 -0.071 0.000 2.092 418 R HA 0.020 4.361 4.340 0.001 0.000 0.231 418 R C 1.342 177.518 176.300 -0.207 0.000 1.119 418 R CA 0.850 56.850 56.100 -0.167 0.000 0.970 418 R CB -0.286 29.864 30.300 -0.250 0.000 0.864 418 R HN 0.153 nan 8.270 nan 0.000 0.440 419 F N 1.049 120.960 119.950 -0.065 0.000 2.802 419 F HA 0.058 4.585 4.527 0.001 0.000 0.300 419 F C 0.608 176.137 175.800 -0.452 0.000 1.168 419 F CA 0.653 58.535 58.000 -0.197 0.000 1.433 419 F CB 0.017 38.974 39.000 -0.073 0.000 1.115 419 F HN -0.085 nan 8.300 nan 0.000 0.582 420 K N -1.024 119.287 120.400 -0.149 0.000 3.230 420 K HA -0.222 4.099 4.320 0.001 0.000 0.285 420 K C -0.306 176.150 176.600 -0.241 0.000 1.196 420 K CA -0.007 56.170 56.287 -0.184 0.000 0.838 420 K CB -2.105 30.284 32.500 -0.184 0.000 1.262 420 K HN 0.130 nan 8.250 nan 0.000 0.492 421 F N 0.796 120.726 119.950 -0.033 0.000 2.450 421 F HA 0.270 4.798 4.527 0.001 0.000 0.339 421 F C 1.935 177.692 175.800 -0.071 0.000 1.146 421 F CA 1.401 59.358 58.000 -0.073 0.000 1.267 421 F CB 0.721 39.649 39.000 -0.121 0.000 1.178 421 F HN 0.246 nan 8.300 nan 0.000 0.585 422 G N 0.654 109.545 108.800 0.151 0.000 2.184 422 G HA2 -0.215 3.746 3.960 0.001 0.000 0.264 422 G HA3 -0.215 3.746 3.960 0.001 0.000 0.264 422 G C -0.551 174.368 174.900 0.031 0.000 0.975 422 G CA 0.167 45.302 45.100 0.059 0.000 0.642 422 G HN 0.628 nan 8.290 nan 0.000 0.536 423 V N 2.533 122.459 119.914 0.020 0.000 2.531 423 V HA 0.552 4.673 4.120 0.001 0.000 0.301 423 V C -1.754 174.346 176.094 0.010 0.000 1.034 423 V CA -1.619 60.684 62.300 0.005 0.000 0.865 423 V CB 2.306 34.117 31.823 -0.019 0.000 0.995 423 V HN 0.156 nan 8.190 nan 0.000 0.424 424 P HA 0.110 nan 4.420 nan 0.000 0.272 424 P C 0.914 178.245 177.300 0.052 0.000 1.230 424 P CA 0.047 63.190 63.100 0.071 0.000 0.788 424 P CB 0.785 32.555 31.700 0.116 0.000 0.949 425 T N -1.563 113.024 114.554 0.054 0.000 3.023 425 T HA -0.090 4.261 4.350 0.001 0.000 0.266 425 T C 0.754 175.536 174.700 0.137 0.000 1.093 425 T CA -0.070 62.059 62.100 0.049 0.000 1.129 425 T CB -0.580 68.272 68.868 -0.027 0.000 0.899 425 T HN 0.367 nan 8.240 nan 0.000 0.491 426 R N 0.865 121.482 120.500 0.196 0.000 3.322 426 R HA -0.168 4.173 4.340 0.001 0.000 0.253 426 R C 0.420 176.879 176.300 0.265 0.000 0.987 426 R CA 0.760 56.985 56.100 0.208 0.000 0.666 426 R CB -3.191 27.180 30.300 0.118 0.000 1.072 426 R HN 0.753 nan 8.270 nan 0.000 0.447 427 F N -1.843 118.144 119.950 0.061 0.000 2.811 427 F HA 0.379 4.907 4.527 0.001 0.000 0.301 427 F C 1.349 177.256 175.800 0.178 0.000 1.151 427 F CA 0.029 58.082 58.000 0.089 0.000 1.412 427 F CB 0.170 39.236 39.000 0.111 0.000 1.113 427 F HN 0.292 nan 8.300 nan 0.000 0.579 428 G N 0.402 109.139 108.800 -0.106 0.000 2.318 428 G HA2 -0.097 3.864 3.960 0.001 0.000 0.172 428 G HA3 -0.097 3.864 3.960 0.001 0.000 0.172 428 G C -0.233 174.600 174.900 -0.112 0.000 1.002 428 G CA -0.114 44.945 45.100 -0.069 0.000 0.697 428 G HN 0.340 nan 8.290 nan 0.000 0.483 429 L N 2.555 123.514 121.223 -0.440 0.000 2.322 429 L HA 0.599 4.940 4.340 0.001 0.000 0.279 429 L C 1.290 178.139 176.870 -0.036 0.000 1.036 429 L CA -0.432 54.191 54.840 -0.362 0.000 0.807 429 L CB 1.626 43.198 42.059 -0.812 0.000 1.226 429 L HN 0.322 nan 8.230 nan 0.000 0.433 430 T N -2.092 112.509 114.554 0.079 0.000 2.898 430 T HA 0.106 4.457 4.350 0.001 0.000 0.301 430 T C 0.105 174.962 174.700 0.262 0.000 1.049 430 T CA -0.539 61.650 62.100 0.149 0.000 1.095 430 T CB 0.679 69.612 68.868 0.107 0.000 0.976 430 T HN 0.716 nan 8.240 nan 0.000 0.539 431 D N -0.128 120.412 120.400 0.234 0.000 2.705 431 D HA -0.146 4.495 4.640 0.001 0.000 0.240 431 D C -0.081 176.458 176.300 0.399 0.000 1.137 431 D CA 0.717 54.883 54.000 0.276 0.000 0.677 431 D CB -0.882 40.058 40.800 0.235 0.000 1.049 431 D HN 0.906 nan 8.370 nan 0.000 0.427 432 E N 0.037 120.487 120.200 0.416 0.000 2.289 432 E HA 0.171 4.522 4.350 0.001 0.000 0.278 432 E C 0.004 176.896 176.600 0.486 0.000 1.032 432 E CA -0.541 56.161 56.400 0.503 0.000 0.854 432 E CB 0.643 30.607 29.700 0.440 0.000 1.046 432 E HN -0.016 nan 8.360 nan 0.000 0.409 433 Y N 1.376 121.777 120.300 0.168 0.000 2.299 433 Y HA 0.266 4.817 4.550 0.001 0.000 0.335 433 Y C 0.989 176.940 175.900 0.085 0.000 1.287 433 Y CA -0.340 57.819 58.100 0.097 0.000 1.424 433 Y CB 1.228 39.727 38.460 0.066 0.000 1.326 433 Y HN 0.675 nan 8.280 nan 0.000 0.567 434 A N 0.351 123.272 122.820 0.169 0.000 2.259 434 A HA 0.484 4.805 4.320 0.001 0.000 0.213 434 A C 1.197 178.828 177.584 0.078 0.000 1.209 434 A CA 0.517 52.611 52.037 0.095 0.000 0.910 434 A CB -0.729 18.294 19.000 0.038 0.000 0.946 434 A HN 1.229 nan 8.150 nan 0.000 0.497 435 G N -0.819 108.029 108.800 0.082 0.000 2.752 435 G HA2 -0.094 3.866 3.960 0.001 0.000 0.234 435 G HA3 -0.094 3.866 3.960 0.001 0.000 0.234 435 G C -0.319 174.586 174.900 0.008 0.000 1.367 435 G CA 0.208 45.332 45.100 0.040 0.000 0.879 435 G HN 1.048 nan 8.290 nan 0.000 0.563 436 Q N -1.191 118.600 119.800 -0.016 0.000 2.280 436 Q HA 0.580 4.921 4.340 0.001 0.000 0.259 436 Q C -0.031 175.940 176.000 -0.048 0.000 0.964 436 Q CA -0.793 54.993 55.803 -0.028 0.000 0.844 436 Q CB 1.198 29.915 28.738 -0.034 0.000 1.334 436 Q HN 0.730 nan 8.270 nan 0.000 0.423 437 L N 4.987 126.184 121.223 -0.043 0.000 2.483 437 L HA 0.299 4.639 4.340 0.001 0.000 0.275 437 L C -1.718 175.110 176.870 -0.069 0.000 1.220 437 L CA -1.482 53.317 54.840 -0.068 0.000 0.833 437 L CB -0.006 42.019 42.059 -0.057 0.000 1.102 437 L HN 0.561 nan 8.230 nan 0.000 0.490 438 P HA 0.026 nan 4.420 nan 0.000 0.267 438 P C -0.613 176.664 177.300 -0.038 0.000 1.200 438 P CA -0.331 62.735 63.100 -0.057 0.000 0.772 438 P CB 0.520 32.191 31.700 -0.049 0.000 0.855 439 A N 2.111 124.914 122.820 -0.027 0.000 2.507 439 A HA -0.012 4.308 4.320 0.001 0.000 0.235 439 A C 0.747 178.325 177.584 -0.009 0.000 1.070 439 A CA -0.004 52.022 52.037 -0.019 0.000 0.768 439 A CB -0.404 18.586 19.000 -0.016 0.000 1.011 439 A HN 0.524 nan 8.150 nan 0.000 0.502 440 D N 0.525 120.921 120.400 -0.007 0.000 2.767 440 D HA 0.193 4.834 4.640 0.001 0.000 0.231 440 D C -0.190 176.115 176.300 0.009 0.000 1.105 440 D CA 0.264 54.264 54.000 0.001 0.000 1.024 440 D CB -0.992 39.806 40.800 -0.002 0.000 1.123 440 D HN 0.647 nan 8.370 nan 0.000 0.470 441 N N -1.400 117.309 118.700 0.015 0.000 2.416 441 N HA 0.203 4.944 4.740 0.001 0.000 0.276 441 N C 1.153 176.683 175.510 0.033 0.000 1.261 441 N CA -0.937 52.126 53.050 0.021 0.000 0.790 441 N CB 0.792 39.289 38.487 0.016 0.000 1.554 441 N HN -0.064 nan 8.380 nan 0.000 0.481 442 I N -1.858 118.735 120.570 0.038 0.000 2.361 442 I HA -0.123 4.048 4.170 0.001 0.000 0.251 442 I C 1.068 177.217 176.117 0.054 0.000 1.133 442 I CA 0.714 62.044 61.300 0.049 0.000 1.413 442 I CB -0.372 37.656 38.000 0.046 0.000 1.073 442 I HN 0.330 nan 8.210 nan 0.000 0.424 443 V N 2.351 122.294 119.914 0.048 0.000 2.270 443 V HA -0.272 3.849 4.120 0.001 0.000 0.245 443 V C 2.292 178.413 176.094 0.044 0.000 1.043 443 V CA 2.719 65.052 62.300 0.055 0.000 1.014 443 V CB -1.114 30.741 31.823 0.054 0.000 0.645 443 V HN 0.509 nan 8.190 nan 0.000 0.447 444 N N -0.119 118.599 118.700 0.030 0.000 2.142 444 N HA -0.088 4.652 4.740 0.001 0.000 0.186 444 N C 1.810 177.327 175.510 0.012 0.000 1.023 444 N CA 1.329 54.385 53.050 0.009 0.000 0.852 444 N CB -0.181 38.306 38.487 0.001 0.000 0.998 444 N HN 0.411 nan 8.380 nan 0.000 0.424 445 I N 1.061 121.662 120.570 0.051 0.000 2.286 445 I HA -0.230 3.940 4.170 0.001 0.000 0.248 445 I C 2.475 178.689 176.117 0.161 0.000 1.115 445 I CA 0.664 62.038 61.300 0.124 0.000 1.392 445 I CB -0.383 37.700 38.000 0.139 0.000 1.065 445 I HN 0.166 nan 8.210 nan 0.000 0.418 446 A N 0.482 123.349 122.820 0.079 0.000 1.877 446 A HA -0.258 4.063 4.320 0.001 0.000 0.216 446 A C 2.272 179.819 177.584 -0.063 0.000 1.186 446 A CA 1.606 53.669 52.037 0.043 0.000 0.620 446 A CB -0.669 18.377 19.000 0.077 0.000 0.822 446 A HN 0.449 nan 8.150 nan 0.000 0.443 447 Q N 0.168 119.865 119.800 -0.173 0.000 2.170 447 Q HA -0.144 4.197 4.340 0.001 0.000 0.203 447 Q C 2.333 177.810 176.000 -0.870 0.000 0.976 447 Q CA 1.747 57.119 55.803 -0.718 0.000 0.858 447 Q CB -0.291 28.212 28.738 -0.391 0.000 0.907 447 Q HN 0.865 nan 8.270 nan 0.000 0.433 448 S N 0.222 115.754 115.700 -0.280 0.000 2.442 448 S HA -0.162 4.309 4.470 0.001 0.000 0.236 448 S C 1.980 176.621 174.600 0.069 0.000 1.007 448 S CA 1.156 59.308 58.200 -0.079 0.000 0.965 448 S CB -0.397 62.860 63.200 0.095 0.000 0.773 448 S HN 0.429 nan 8.310 nan 0.000 0.504 449 S N 1.886 117.548 115.700 -0.063 0.000 2.442 449 S HA -0.062 4.409 4.470 0.001 0.000 0.236 449 S C 1.134 175.720 174.600 -0.023 0.000 1.007 449 S CA 0.694 58.748 58.200 -0.244 0.000 0.965 449 S CB -1.018 61.940 63.200 -0.403 0.000 0.773 449 S HN 0.884 nan 8.310 nan 0.000 0.504 450 F N -0.785 119.156 119.950 -0.015 0.000 2.735 450 F HA 0.752 5.280 4.527 0.001 0.000 0.304 450 F C 1.081 176.885 175.800 0.007 0.000 1.119 450 F CA -0.731 57.267 58.000 -0.003 0.000 1.280 450 F CB -0.071 38.927 39.000 -0.003 0.000 0.994 450 F HN 0.171 nan 8.300 nan 0.000 0.520 451 G N 0.779 109.507 108.800 -0.120 0.000 2.176 451 G HA2 -0.199 3.762 3.960 0.001 0.000 0.252 451 G HA3 -0.199 3.762 3.960 0.001 0.000 0.252 451 G C -0.293 174.531 174.900 -0.128 0.000 1.024 451 G CA 0.008 45.044 45.100 -0.105 0.000 0.755 451 G HN 0.475 nan 8.290 nan 0.000 0.507 452 Q N -1.109 118.530 119.800 -0.270 0.000 2.387 452 Q HA 0.609 4.950 4.340 0.001 0.000 0.273 452 Q C 0.945 176.864 176.000 -0.135 0.000 1.089 452 Q CA -0.167 55.545 55.803 -0.152 0.000 0.824 452 Q CB 1.575 30.248 28.738 -0.109 0.000 1.367 452 Q HN 1.429 nan 8.270 nan 0.000 0.443 453 G N 1.259 110.062 108.800 0.004 0.000 2.153 453 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 453 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 453 G C -0.091 174.774 174.900 -0.059 0.000 0.994 453 G CA 0.742 45.835 45.100 -0.011 0.000 0.698 453 G HN 0.553 nan 8.290 nan 0.000 0.521 454 I N 0.530 121.048 120.570 -0.087 0.000 2.656 454 I HA 0.632 4.802 4.170 0.001 0.000 0.292 454 I C -0.101 175.931 176.117 -0.141 0.000 1.144 454 I CA -0.389 60.832 61.300 -0.132 0.000 1.038 454 I CB 2.019 39.896 38.000 -0.205 0.000 1.244 454 I HN 0.351 nan 8.210 nan 0.000 0.420 455 S N 7.084 122.708 115.700 -0.127 0.000 2.501 455 S HA 0.882 5.353 4.470 0.001 0.000 0.301 455 S C -0.662 173.840 174.600 -0.163 0.000 1.096 455 S CA -0.444 57.674 58.200 -0.137 0.000 1.063 455 S CB 1.810 64.975 63.200 -0.059 0.000 1.042 455 S HN 0.808 nan 8.310 nan 0.000 0.494 456 V N -0.571 119.174 119.914 -0.281 0.000 3.130 456 V HA 0.929 5.049 4.120 0.001 0.000 0.310 456 V C -0.120 175.853 176.094 -0.202 0.000 1.158 456 V CA -0.552 61.615 62.300 -0.221 0.000 1.029 456 V CB 1.253 32.904 31.823 -0.287 0.000 1.057 456 V HN 1.177 nan 8.190 nan 0.000 0.436 457 T N -0.990 113.571 114.554 0.012 0.000 2.945 457 T HA 0.447 4.798 4.350 0.001 0.000 0.286 457 T C 0.660 175.495 174.700 0.224 0.000 1.025 457 T CA -0.369 61.827 62.100 0.160 0.000 1.039 457 T CB 1.797 70.765 68.868 0.167 0.000 1.068 457 T HN 0.770 nan 8.240 nan 0.000 0.497 458 Q N 0.346 120.380 119.800 0.390 0.000 2.170 458 Q HA -0.102 4.238 4.340 0.001 0.000 0.203 458 Q C 2.410 178.525 176.000 0.191 0.000 0.976 458 Q CA 1.936 57.990 55.803 0.418 0.000 0.858 458 Q CB -0.476 28.517 28.738 0.424 0.000 0.907 458 Q HN 0.999 nan 8.270 nan 0.000 0.433 459 T N -1.851 112.745 114.554 0.070 0.000 2.951 459 T HA -0.127 4.224 4.350 0.001 0.000 0.268 459 T C 1.707 176.340 174.700 -0.112 0.000 1.073 459 T CA 0.825 62.864 62.100 -0.102 0.000 1.134 459 T CB -0.031 68.621 68.868 -0.361 0.000 0.884 459 T HN 0.226 nan 8.240 nan 0.000 0.479 460 Q N -0.163 119.598 119.800 -0.065 0.000 2.083 460 Q HA 0.030 4.371 4.340 0.001 0.000 0.198 460 Q C 2.394 178.269 176.000 -0.209 0.000 0.969 460 Q CA 1.142 56.864 55.803 -0.135 0.000 0.838 460 Q CB -0.204 28.517 28.738 -0.030 0.000 0.900 460 Q HN 0.408 nan 8.270 nan 0.000 0.436 461 M N 0.160 119.668 119.600 -0.154 0.000 2.086 461 M HA -0.137 4.344 4.480 0.001 0.000 0.261 461 M C 2.238 178.130 176.300 -0.679 0.000 1.067 461 M CA 1.453 56.460 55.300 -0.488 0.000 1.116 461 M CB -0.848 31.445 32.600 -0.511 0.000 1.348 461 M HN 0.239 nan 8.290 nan 0.000 0.407 462 I N -0.475 119.960 120.570 -0.226 0.000 2.163 462 I HA -0.348 3.823 4.170 0.001 0.000 0.243 462 I C 2.771 178.888 176.117 -0.000 0.000 1.085 462 I CA 1.356 62.681 61.300 0.041 0.000 1.347 462 I CB -0.482 37.593 38.000 0.124 0.000 1.044 462 I HN 0.335 nan 8.210 nan 0.000 0.408 463 R N 1.083 121.531 120.500 -0.086 0.000 2.096 463 R HA -0.236 4.105 4.340 0.001 0.000 0.240 463 R C 2.363 178.630 176.300 -0.056 0.000 1.139 463 R CA 1.908 57.964 56.100 -0.073 0.000 0.952 463 R CB -0.325 29.899 30.300 -0.127 0.000 0.854 463 R HN 0.386 nan 8.270 nan 0.000 0.436 464 A N 0.317 123.034 122.820 -0.172 0.000 1.902 464 A HA -0.151 4.170 4.320 0.001 0.000 0.217 464 A C 1.935 179.558 177.584 0.066 0.000 1.181 464 A CA 1.281 53.277 52.037 -0.069 0.000 0.623 464 A CB -0.688 18.125 19.000 -0.311 0.000 0.818 464 A HN 0.371 nan 8.150 nan 0.000 0.443 465 F N 1.315 121.286 119.950 0.035 0.000 2.171 465 F HA -0.169 4.359 4.527 0.001 0.000 0.300 465 F C 2.959 178.802 175.800 0.072 0.000 1.090 465 F CA 1.536 59.559 58.000 0.038 0.000 1.293 465 F CB -1.454 37.542 39.000 -0.007 0.000 1.013 465 F HN 0.419 nan 8.300 nan 0.000 0.486 466 T N -1.753 112.950 114.554 0.248 0.000 2.759 466 T HA -0.208 4.143 4.350 0.001 0.000 0.269 466 T C 2.172 176.959 174.700 0.145 0.000 1.042 466 T CA 1.222 63.420 62.100 0.163 0.000 1.140 466 T CB -0.909 68.025 68.868 0.111 0.000 0.864 466 T HN 0.193 nan 8.240 nan 0.000 0.455 467 A N 1.401 124.324 122.820 0.172 0.000 1.902 467 A HA 0.107 4.428 4.320 0.001 0.000 0.217 467 A C 2.288 179.981 177.584 0.182 0.000 1.181 467 A CA 1.503 53.637 52.037 0.162 0.000 0.623 467 A CB -0.781 18.339 19.000 0.200 0.000 0.818 467 A HN 0.512 nan 8.150 nan 0.000 0.443 468 I N -0.185 120.531 120.570 0.243 0.000 2.439 468 I HA -0.136 4.035 4.170 0.001 0.000 0.251 468 I C 2.607 178.802 176.117 0.131 0.000 1.139 468 I CA 1.244 62.662 61.300 0.197 0.000 1.438 468 I CB -0.163 37.974 38.000 0.228 0.000 1.085 468 I HN 0.294 nan 8.210 nan 0.000 0.427 469 A N -0.830 122.068 122.820 0.130 0.000 2.169 469 A HA 0.027 4.348 4.320 0.001 0.000 0.212 469 A C 1.388 179.007 177.584 0.059 0.000 1.153 469 A CA 0.578 52.665 52.037 0.084 0.000 0.756 469 A CB -0.350 18.701 19.000 0.085 0.000 0.813 469 A HN 0.447 nan 8.150 nan 0.000 0.471 470 N N 0.580 119.320 118.700 0.065 0.000 2.733 470 N HA 0.087 4.828 4.740 0.001 0.000 0.271 470 N C -1.178 174.354 175.510 0.037 0.000 1.720 470 N CA -0.126 52.949 53.050 0.042 0.000 0.803 470 N CB 0.206 38.718 38.487 0.041 0.000 1.208 470 N HN 0.076 nan 8.380 nan 0.000 0.498 471 D N 1.229 121.650 120.400 0.035 0.000 2.860 471 D HA -0.210 4.431 4.640 0.001 0.000 0.229 471 D C 1.064 177.381 176.300 0.028 0.000 1.169 471 D CA 1.741 55.758 54.000 0.028 0.000 0.737 471 D CB -1.203 39.607 40.800 0.017 0.000 1.080 471 D HN 0.884 nan 8.370 nan 0.000 0.424 472 G N -2.181 106.644 108.800 0.043 0.000 2.176 472 G HA2 -0.320 3.641 3.960 0.001 0.000 0.253 472 G HA3 -0.320 3.641 3.960 0.001 0.000 0.253 472 G C 0.352 175.251 174.900 -0.003 0.000 0.979 472 G CA 0.168 45.286 45.100 0.030 0.000 0.641 472 G HN 0.572 nan 8.290 nan 0.000 0.530 473 V N 1.925 121.844 119.914 0.007 0.000 2.408 473 V HA 0.558 4.679 4.120 0.001 0.000 0.267 473 V C 0.777 176.873 176.094 0.004 0.000 1.047 473 V CA 0.041 62.338 62.300 -0.006 0.000 0.937 473 V CB 1.459 33.282 31.823 -0.001 0.000 0.999 473 V HN 0.451 nan 8.190 nan 0.000 0.472 474 M N 6.413 126.001 119.600 -0.019 0.000 2.180 474 M HA 0.505 4.986 4.480 0.001 0.000 0.358 474 M C -1.002 175.297 176.300 -0.002 0.000 1.233 474 M CA -0.049 55.246 55.300 -0.008 0.000 1.114 474 M CB 0.619 33.189 32.600 -0.050 0.000 1.594 474 M HN 0.512 nan 8.290 nan 0.000 0.467 475 L N 2.938 124.172 121.223 0.018 0.000 2.330 475 L HA 0.517 4.858 4.340 0.001 0.000 0.271 475 L C -0.405 176.480 176.870 0.025 0.000 1.013 475 L CA -0.988 53.866 54.840 0.023 0.000 0.816 475 L CB 1.844 43.926 42.059 0.038 0.000 1.287 475 L HN 0.569 nan 8.230 nan 0.000 0.435 476 E N 3.048 123.267 120.200 0.031 0.000 2.289 476 E HA 0.240 4.591 4.350 0.001 0.000 0.278 476 E C -2.414 174.237 176.600 0.085 0.000 1.032 476 E CA -1.609 54.821 56.400 0.050 0.000 0.854 476 E CB 0.932 30.666 29.700 0.057 0.000 1.046 476 E HN 0.142 nan 8.360 nan 0.000 0.409 477 P HA 0.052 nan 4.420 nan 0.000 0.268 477 P C -1.132 176.352 177.300 0.306 0.000 1.204 477 P CA 0.278 63.468 63.100 0.150 0.000 0.768 477 P CB 0.552 32.258 31.700 0.010 0.000 0.842 478 K N 2.133 122.698 120.400 0.274 0.000 2.375 478 K HA 0.430 4.750 4.320 0.001 0.000 0.249 478 K C 0.022 176.790 176.600 0.280 0.000 0.942 478 K CA -0.427 55.977 56.287 0.195 0.000 0.806 478 K CB 1.489 34.028 32.500 0.067 0.000 1.227 478 K HN 0.424 nan 8.250 nan 0.000 0.430 479 F N -0.336 119.685 119.950 0.118 0.000 2.834 479 F HA 0.443 4.971 4.527 0.001 0.000 0.332 479 F C 0.071 175.902 175.800 0.052 0.000 1.056 479 F CA -0.537 57.513 58.000 0.084 0.000 1.178 479 F CB 0.358 39.387 39.000 0.050 0.000 1.037 479 F HN 0.120 nan 8.300 nan 0.000 0.580 480 I N 1.533 121.834 120.570 -0.448 0.000 2.304 480 I HA 0.232 4.403 4.170 0.001 0.000 0.291 480 I C 1.165 177.231 176.117 -0.085 0.000 1.018 480 I CA -0.365 60.789 61.300 -0.242 0.000 1.260 480 I CB 1.711 39.481 38.000 -0.384 0.000 1.390 480 I HN 0.237 nan 8.210 nan 0.000 0.475 481 S N 4.961 120.677 115.700 0.026 0.000 2.441 481 S HA 0.397 4.868 4.470 0.001 0.000 0.224 481 S C 0.492 175.112 174.600 0.033 0.000 1.043 481 S CA 0.513 58.738 58.200 0.042 0.000 0.948 481 S CB 0.314 63.566 63.200 0.087 0.000 0.810 481 S HN 0.773 nan 8.310 nan 0.000 0.504 482 A N 0.345 123.216 122.820 0.084 0.000 2.555 482 A HA 0.642 4.962 4.320 0.001 0.000 0.297 482 A C -1.524 176.166 177.584 0.178 0.000 1.060 482 A CA -0.679 51.403 52.037 0.075 0.000 0.710 482 A CB 0.791 19.768 19.000 -0.039 0.000 1.282 482 A HN 0.346 nan 8.150 nan 0.000 0.399 483 I N 2.205 122.855 120.570 0.133 0.000 2.362 483 I HA 0.383 4.554 4.170 0.001 0.000 0.289 483 I C -0.973 175.272 176.117 0.214 0.000 0.994 483 I CA -0.607 60.796 61.300 0.171 0.000 1.158 483 I CB 1.548 39.599 38.000 0.084 0.000 1.315 483 I HN 0.710 nan 8.210 nan 0.000 0.451 484 Y N 6.055 126.442 120.300 0.145 0.000 2.335 484 Y HA 0.404 4.955 4.550 0.001 0.000 0.338 484 Y C -0.736 175.217 175.900 0.087 0.000 0.977 484 Y CA -0.971 57.196 58.100 0.112 0.000 1.114 484 Y CB 1.266 39.836 38.460 0.183 0.000 1.182 484 Y HN 0.463 nan 8.280 nan 0.000 0.463 485 D N 8.599 128.663 120.400 -0.560 0.000 2.412 485 D HA 0.288 4.929 4.640 0.001 0.000 0.224 485 D C -2.052 173.742 176.300 -0.844 0.000 1.093 485 D CA -2.502 51.189 54.000 -0.514 0.000 0.850 485 D CB 1.929 42.585 40.800 -0.240 0.000 1.046 485 D HN 0.387 nan 8.370 nan 0.000 0.507 486 P HA -0.025 nan 4.420 nan 0.000 0.237 486 P C 0.659 177.856 177.300 -0.173 0.000 1.178 486 P CA 0.305 63.161 63.100 -0.406 0.000 0.766 486 P CB 0.712 32.345 31.700 -0.112 0.000 0.876 487 N N 1.293 119.895 118.700 -0.163 0.000 2.148 487 N HA -0.085 4.656 4.740 0.001 0.000 0.186 487 N C 1.087 176.556 175.510 -0.068 0.000 1.031 487 N CA 1.564 54.563 53.050 -0.085 0.000 0.848 487 N CB -0.515 37.929 38.487 -0.071 0.000 1.005 487 N HN 0.324 nan 8.380 nan 0.000 0.427 488 D N 0.205 120.553 120.400 -0.086 0.000 2.424 488 D HA 0.018 4.659 4.640 0.001 0.000 0.220 488 D C -0.448 175.829 176.300 -0.039 0.000 1.150 488 D CA -0.122 53.848 54.000 -0.050 0.000 0.831 488 D CB -0.351 40.425 40.800 -0.040 0.000 0.981 488 D HN 0.034 nan 8.370 nan 0.000 0.500 489 Q N 0.299 120.059 119.800 -0.066 0.000 2.439 489 Q HA -0.173 4.168 4.340 0.001 0.000 0.325 489 Q C -0.570 175.482 176.000 0.087 0.000 1.372 489 Q CA 1.143 56.965 55.803 0.033 0.000 0.909 489 Q CB -1.976 26.825 28.738 0.105 0.000 1.167 489 Q HN 0.672 nan 8.270 nan 0.000 0.418 490 T N -3.410 111.146 114.554 0.003 0.000 2.916 490 T HA 0.911 5.262 4.350 0.001 0.000 0.292 490 T C -0.459 174.311 174.700 0.116 0.000 1.055 490 T CA -0.414 61.722 62.100 0.059 0.000 1.009 490 T CB 2.517 71.390 68.868 0.008 0.000 1.118 490 T HN 0.421 nan 8.240 nan 0.000 0.497 491 A N 1.509 124.406 122.820 0.127 0.000 2.515 491 A HA 0.871 5.192 4.320 0.001 0.000 0.296 491 A C -0.786 176.832 177.584 0.057 0.000 1.094 491 A CA -1.251 50.867 52.037 0.136 0.000 0.718 491 A CB 1.456 20.541 19.000 0.141 0.000 1.307 491 A HN 0.865 nan 8.150 nan 0.000 0.408 492 R N 1.145 121.673 120.500 0.047 0.000 2.476 492 R HA 0.493 4.834 4.340 0.001 0.000 0.305 492 R C -1.287 175.017 176.300 0.006 0.000 0.965 492 R CA -0.603 55.508 56.100 0.018 0.000 0.867 492 R CB 2.213 32.520 30.300 0.012 0.000 1.176 492 R HN 0.647 nan 8.270 nan 0.000 0.447 493 K N 0.881 121.276 120.400 -0.008 0.000 2.164 493 K HA 0.295 4.616 4.320 0.001 0.000 0.258 493 K C -0.307 176.282 176.600 -0.018 0.000 0.951 493 K CA -0.554 55.721 56.287 -0.020 0.000 0.844 493 K CB 2.189 34.671 32.500 -0.029 0.000 1.099 493 K HN 0.325 nan 8.250 nan 0.000 0.435 494 S N 2.155 117.843 115.700 -0.019 0.000 2.537 494 S HA 0.170 4.641 4.470 0.001 0.000 0.275 494 S C -0.739 173.853 174.600 -0.013 0.000 1.272 494 S CA -0.603 57.584 58.200 -0.022 0.000 1.050 494 S CB 0.446 63.629 63.200 -0.028 0.000 0.961 494 S HN 0.381 nan 8.310 nan 0.000 0.496 495 Q N 2.510 122.302 119.800 -0.013 0.000 2.387 495 Q HA 0.304 4.645 4.340 0.001 0.000 0.273 495 Q C -0.691 175.307 176.000 -0.003 0.000 1.089 495 Q CA -0.933 54.866 55.803 -0.007 0.000 0.824 495 Q CB 1.880 30.613 28.738 -0.008 0.000 1.367 495 Q HN 0.851 nan 8.270 nan 0.000 0.443 496 K N 0.289 120.691 120.400 0.003 0.000 2.485 496 K HA 0.059 4.379 4.320 0.001 0.000 0.277 496 K C -0.295 176.308 176.600 0.004 0.000 0.990 496 K CA 0.233 56.525 56.287 0.009 0.000 0.994 496 K CB 0.787 33.294 32.500 0.012 0.000 0.906 496 K HN 0.526 nan 8.250 nan 0.000 0.488 497 E N 3.935 124.140 120.200 0.009 0.000 2.158 497 E HA 0.237 4.588 4.350 0.001 0.000 0.271 497 E C -1.031 175.572 176.600 0.005 0.000 0.911 497 E CA -0.778 55.625 56.400 0.004 0.000 0.767 497 E CB 0.972 30.675 29.700 0.006 0.000 1.120 497 E HN 0.588 nan 8.360 nan 0.000 0.405 498 I N 5.247 125.815 120.570 -0.003 0.000 2.331 498 I HA 0.111 4.282 4.170 0.001 0.000 0.292 498 I C 0.971 177.078 176.117 -0.016 0.000 0.998 498 I CA -0.424 60.871 61.300 -0.009 0.000 1.267 498 I CB 1.499 39.491 38.000 -0.012 0.000 1.386 498 I HN 0.528 nan 8.210 nan 0.000 0.476 499 V N 2.000 121.900 119.914 -0.023 0.000 3.604 499 V HA 0.665 4.786 4.120 0.001 0.000 0.277 499 V C 0.586 176.648 176.094 -0.055 0.000 1.399 499 V CA 0.255 62.535 62.300 -0.033 0.000 1.034 499 V CB -0.016 31.789 31.823 -0.029 0.000 0.824 499 V HN 0.873 nan 8.190 nan 0.000 0.439 500 G N 0.146 108.908 108.800 -0.063 0.000 2.349 500 G HA2 0.359 4.319 3.960 0.001 0.000 0.294 500 G HA3 0.359 4.319 3.960 0.001 0.000 0.294 500 G C -1.803 173.039 174.900 -0.098 0.000 1.380 500 G CA -0.266 44.781 45.100 -0.090 0.000 0.811 500 G HN 0.128 nan 8.290 nan 0.000 0.519 501 N N 0.848 119.474 118.700 -0.123 0.000 2.752 501 N HA 0.316 5.057 4.740 0.001 0.000 0.260 501 N C -1.513 173.892 175.510 -0.175 0.000 1.562 501 N CA -1.621 51.358 53.050 -0.119 0.000 0.788 501 N CB 1.798 40.240 38.487 -0.076 0.000 1.192 501 N HN 0.234 nan 8.380 nan 0.000 0.503 502 P HA -0.055 nan 4.420 nan 0.000 0.217 502 P C 0.539 177.707 177.300 -0.219 0.000 1.151 502 P CA 1.027 63.848 63.100 -0.465 0.000 0.828 502 P CB 0.315 31.281 31.700 -1.223 0.000 0.788 503 V N -3.701 116.135 119.914 -0.130 0.000 3.141 503 V HA 0.699 4.820 4.120 0.001 0.000 0.312 503 V C 0.114 176.225 176.094 0.029 0.000 1.157 503 V CA -0.989 61.341 62.300 0.050 0.000 1.041 503 V CB 1.287 33.187 31.823 0.128 0.000 1.071 503 V HN 0.166 nan 8.190 nan 0.000 0.441 504 S N 0.209 115.940 115.700 0.051 0.000 2.655 504 S HA 0.338 4.808 4.470 0.001 0.000 0.265 504 S C 0.962 175.580 174.600 0.031 0.000 1.240 504 S CA 0.301 58.521 58.200 0.033 0.000 0.986 504 S CB 1.073 64.295 63.200 0.037 0.000 0.985 504 S HN 1.067 nan 8.310 nan 0.000 0.562 505 K N 0.273 120.687 120.400 0.023 0.000 2.026 505 K HA -0.178 4.143 4.320 0.001 0.000 0.208 505 K C 1.146 177.760 176.600 0.023 0.000 1.048 505 K CA 1.941 58.241 56.287 0.022 0.000 0.929 505 K CB -0.540 31.970 32.500 0.017 0.000 0.713 505 K HN 0.665 nan 8.250 nan 0.000 0.439 506 D N 0.424 120.837 120.400 0.022 0.000 2.097 506 D HA -0.146 4.495 4.640 0.001 0.000 0.195 506 D C 1.815 178.124 176.300 0.014 0.000 0.989 506 D CA 1.424 55.436 54.000 0.021 0.000 0.827 506 D CB -0.257 40.558 40.800 0.025 0.000 0.966 506 D HN 0.367 nan 8.370 nan 0.000 0.456 507 A N 1.137 123.966 122.820 0.015 0.000 1.877 507 A HA -0.091 4.230 4.320 0.001 0.000 0.216 507 A C 2.340 179.918 177.584 -0.011 0.000 1.186 507 A CA 2.457 54.491 52.037 -0.005 0.000 0.620 507 A CB -0.795 18.213 19.000 0.015 0.000 0.822 507 A HN 0.244 nan 8.150 nan 0.000 0.443 508 A N -0.635 122.200 122.820 0.025 0.000 1.902 508 A HA -0.075 4.246 4.320 0.001 0.000 0.217 508 A C 2.457 180.051 177.584 0.017 0.000 1.181 508 A CA 2.142 54.203 52.037 0.040 0.000 0.623 508 A CB -0.853 18.184 19.000 0.062 0.000 0.818 508 A HN 0.463 nan 8.150 nan 0.000 0.443 509 S N -0.414 115.294 115.700 0.013 0.000 2.355 509 S HA -0.068 4.403 4.470 0.001 0.000 0.222 509 S C 1.875 176.473 174.600 -0.002 0.000 1.031 509 S CA 1.202 59.409 58.200 0.012 0.000 0.993 509 S CB -0.440 62.770 63.200 0.017 0.000 0.859 509 S HN 0.509 nan 8.310 nan 0.000 0.453 510 L N 1.337 122.550 121.223 -0.018 0.000 2.083 510 L HA -0.154 4.187 4.340 0.001 0.000 0.209 510 L C 2.383 179.189 176.870 -0.106 0.000 1.083 510 L CA 1.320 56.139 54.840 -0.035 0.000 0.752 510 L CB -0.894 41.148 42.059 -0.027 0.000 0.899 510 L HN 0.375 nan 8.230 nan 0.000 0.433 511 T N -0.760 113.705 114.554 -0.149 0.000 2.720 511 T HA -0.226 4.124 4.350 0.001 0.000 0.268 511 T C 1.904 176.540 174.700 -0.106 0.000 1.037 511 T CA 1.291 63.259 62.100 -0.221 0.000 1.144 511 T CB -0.214 68.564 68.868 -0.151 0.000 0.864 511 T HN 0.364 nan 8.240 nan 0.000 0.444 512 R N 0.511 120.998 120.500 -0.022 0.000 2.115 512 R HA -0.014 4.327 4.340 0.001 0.000 0.226 512 R C 2.732 179.058 176.300 0.044 0.000 1.100 512 R CA 1.331 57.448 56.100 0.030 0.000 0.980 512 R CB -0.594 29.728 30.300 0.036 0.000 0.875 512 R HN 0.339 nan 8.270 nan 0.000 0.445 513 T N 1.052 115.622 114.554 0.026 0.000 2.708 513 T HA -0.110 4.241 4.350 0.001 0.000 0.266 513 T C 1.359 176.105 174.700 0.077 0.000 1.037 513 T CA 1.664 63.794 62.100 0.050 0.000 1.146 513 T CB -0.267 68.627 68.868 0.044 0.000 0.865 513 T HN 0.351 nan 8.240 nan 0.000 0.435 514 N N 0.492 119.216 118.700 0.040 0.000 2.244 514 N HA 0.120 4.861 4.740 0.001 0.000 0.183 514 N C 1.822 177.511 175.510 0.299 0.000 1.016 514 N CA 0.770 53.884 53.050 0.106 0.000 0.866 514 N CB -0.201 38.198 38.487 -0.146 0.000 0.980 514 N HN 0.314 nan 8.380 nan 0.000 0.430 515 M N -0.259 119.497 119.600 0.258 0.000 2.229 515 M HA -0.082 4.398 4.480 0.001 0.000 0.264 515 M C 1.569 177.994 176.300 0.209 0.000 1.063 515 M CA 0.864 56.363 55.300 0.332 0.000 1.114 515 M CB 0.093 32.835 32.600 0.236 0.000 1.387 515 M HN 0.034 nan 8.290 nan 0.000 0.420 516 V N 0.640 120.647 119.914 0.156 0.000 2.358 516 V HA -0.249 3.872 4.120 0.001 0.000 0.246 516 V C 2.199 178.385 176.094 0.153 0.000 1.047 516 V CA 1.462 63.838 62.300 0.127 0.000 1.035 516 V CB -0.619 31.264 31.823 0.100 0.000 0.658 516 V HN 0.471 nan 8.190 nan 0.000 0.452 517 L N -0.284 121.049 121.223 0.184 0.000 2.187 517 L HA -0.157 4.184 4.340 0.001 0.000 0.213 517 L C 2.424 179.427 176.870 0.222 0.000 1.100 517 L CA 0.878 55.841 54.840 0.206 0.000 0.765 517 L CB -0.646 41.548 42.059 0.224 0.000 0.904 517 L HN 0.220 nan 8.230 nan 0.000 0.437 518 V N 0.050 120.095 119.914 0.218 0.000 2.469 518 V HA -0.240 3.881 4.120 0.001 0.000 0.251 518 V C 2.374 178.559 176.094 0.151 0.000 1.064 518 V CA 2.074 64.471 62.300 0.161 0.000 1.066 518 V CB -0.936 30.943 31.823 0.094 0.000 0.667 518 V HN 0.607 nan 8.190 nan 0.000 0.461 519 G N -0.734 108.153 108.800 0.145 0.000 2.608 519 G HA2 -0.079 3.882 3.960 0.001 0.000 0.210 519 G HA3 -0.079 3.882 3.960 0.001 0.000 0.210 519 G C 1.601 176.617 174.900 0.193 0.000 1.139 519 G CA 1.008 46.181 45.100 0.121 0.000 0.812 519 G HN 0.559 nan 8.290 nan 0.000 0.529 520 T N -2.640 112.052 114.554 0.229 0.000 3.014 520 T HA 0.123 4.474 4.350 0.001 0.000 0.250 520 T C 0.605 175.516 174.700 0.351 0.000 1.060 520 T CA -0.005 62.272 62.100 0.294 0.000 1.040 520 T CB 0.248 69.222 68.868 0.176 0.000 0.971 520 T HN 0.016 nan 8.240 nan 0.000 0.497 521 D N 3.499 124.041 120.400 0.237 0.000 2.346 521 D HA 0.159 4.800 4.640 0.001 0.000 0.260 521 D C -1.687 174.506 176.300 -0.178 0.000 1.252 521 D CA -1.975 52.087 54.000 0.105 0.000 0.895 521 D CB 1.795 42.706 40.800 0.185 0.000 1.097 521 D HN 0.100 nan 8.370 nan 0.000 0.489 522 P HA -0.079 nan 4.420 nan 0.000 0.223 522 P C 1.207 178.254 177.300 -0.422 0.000 1.151 522 P CA 0.379 62.930 63.100 -0.915 0.000 0.787 522 P CB 0.542 31.976 31.700 -0.444 0.000 0.788 523 V N -2.892 116.866 119.914 -0.260 0.000 2.690 523 V HA -0.013 4.108 4.120 0.001 0.000 0.240 523 V C 1.707 177.579 176.094 -0.371 0.000 1.078 523 V CA 1.325 63.408 62.300 -0.362 0.000 1.102 523 V CB -0.880 30.609 31.823 -0.556 0.000 0.800 523 V HN -0.044 nan 8.190 nan 0.000 0.479 524 Y N 0.997 121.335 120.300 0.064 0.000 2.535 524 Y HA 0.498 5.049 4.550 0.001 0.000 0.266 524 Y C 1.870 177.968 175.900 0.331 0.000 1.088 524 Y CA -0.194 58.019 58.100 0.188 0.000 1.285 524 Y CB -0.466 38.051 38.460 0.095 0.000 1.166 524 Y HN 0.239 nan 8.280 nan 0.000 0.525 525 G N 0.606 109.599 108.800 0.321 0.000 2.305 525 G HA2 0.167 4.128 3.960 0.001 0.000 0.243 525 G HA3 0.167 4.128 3.960 0.001 0.000 0.243 525 G C 1.006 176.043 174.900 0.229 0.000 1.288 525 G CA 0.476 45.731 45.100 0.260 0.000 0.901 525 G HN 0.375 nan 8.290 nan 0.000 0.516 526 T N 0.141 114.786 114.554 0.152 0.000 3.088 526 T HA 0.045 4.396 4.350 0.001 0.000 0.259 526 T C 1.704 176.424 174.700 0.034 0.000 1.122 526 T CA 0.612 62.744 62.100 0.054 0.000 1.095 526 T CB 0.020 68.847 68.868 -0.069 0.000 0.930 526 T HN 0.389 nan 8.240 nan 0.000 0.508 527 M N -0.114 119.524 119.600 0.064 0.000 2.405 527 M HA 0.360 4.841 4.480 0.001 0.000 0.292 527 M C -0.361 175.956 176.300 0.028 0.000 1.111 527 M CA -0.601 54.719 55.300 0.034 0.000 0.979 527 M CB 0.468 33.084 32.600 0.026 0.000 1.426 527 M HN 0.211 nan 8.290 nan 0.000 0.509 528 Y N 2.052 122.302 120.300 -0.085 0.000 2.442 528 Y HA 0.110 4.661 4.550 0.002 0.000 0.330 528 Y C 0.257 175.989 175.900 -0.280 0.000 1.129 528 Y CA 0.186 58.176 58.100 -0.182 0.000 1.365 528 Y CB 0.440 38.754 38.460 -0.242 0.000 1.233 528 Y HN 0.053 nan 8.280 nan 0.000 0.529 529 N N 5.076 123.496 118.700 -0.466 0.000 2.527 529 N HA 0.059 4.800 4.740 0.001 0.000 0.236 529 N C 0.354 175.718 175.510 -0.243 0.000 0.999 529 N CA -0.097 52.789 53.050 -0.274 0.000 0.935 529 N CB 0.118 38.475 38.487 -0.218 0.000 1.132 529 N HN 0.786 nan 8.380 nan 0.000 0.511 530 H N 1.185 120.357 119.070 0.169 0.000 2.545 530 H HA 0.022 4.579 4.556 0.001 0.000 0.282 530 H C 0.780 176.169 175.328 0.102 0.000 1.020 530 H CA 0.725 56.919 56.048 0.245 0.000 1.243 530 H CB 0.493 30.373 29.762 0.198 0.000 1.377 530 H HN 0.420 nan 8.280 nan 0.000 0.581 531 S N -0.455 115.317 115.700 0.119 0.000 2.558 531 S HA 0.003 4.474 4.470 0.001 0.000 0.217 531 S C 1.468 176.073 174.600 0.008 0.000 0.975 531 S CA 0.669 58.904 58.200 0.058 0.000 0.912 531 S CB 0.367 63.586 63.200 0.031 0.000 0.776 531 S HN 0.450 nan 8.310 nan 0.000 0.526 532 T N -1.218 113.313 114.554 -0.039 0.000 3.051 532 T HA 0.371 4.722 4.350 0.001 0.000 0.254 532 T C 1.449 176.081 174.700 -0.114 0.000 0.916 532 T CA 0.385 62.438 62.100 -0.079 0.000 0.894 532 T CB 0.601 69.402 68.868 -0.112 0.000 1.251 532 T HN 0.378 nan 8.240 nan 0.000 0.517 533 G N 2.269 110.948 108.800 -0.202 0.000 2.234 533 G HA2 -0.271 3.690 3.960 0.001 0.000 0.260 533 G HA3 -0.271 3.690 3.960 0.001 0.000 0.260 533 G C 0.083 174.685 174.900 -0.496 0.000 0.987 533 G CA 0.386 45.332 45.100 -0.257 0.000 0.625 533 G HN 0.507 nan 8.290 nan 0.000 0.532 534 K N 1.132 121.286 120.400 -0.409 0.000 2.087 534 K HA 0.520 4.841 4.320 0.001 0.000 0.255 534 K C -2.455 173.889 176.600 -0.427 0.000 0.988 534 K CA -2.051 54.037 56.287 -0.331 0.000 0.915 534 K CB 1.089 33.481 32.500 -0.180 0.000 1.043 534 K HN 0.001 nan 8.250 nan 0.000 0.457 535 P HA -0.060 nan 4.420 nan 0.000 0.269 535 P C 0.556 177.770 177.300 -0.143 0.000 1.215 535 P CA -0.023 62.969 63.100 -0.180 0.000 0.780 535 P CB 0.467 32.124 31.700 -0.072 0.000 0.898 536 T N -1.625 112.864 114.554 -0.109 0.000 2.788 536 T HA -0.041 4.310 4.350 0.001 0.000 0.268 536 T C 0.742 175.399 174.700 -0.072 0.000 1.044 536 T CA 0.968 63.013 62.100 -0.091 0.000 1.139 536 T CB -0.475 68.350 68.868 -0.073 0.000 0.867 536 T HN 0.146 nan 8.240 nan 0.000 0.454 537 V N 1.428 121.313 119.914 -0.048 0.000 2.357 537 V HA 0.657 4.778 4.120 0.001 0.000 0.284 537 V C -0.121 175.956 176.094 -0.029 0.000 1.018 537 V CA -0.554 61.725 62.300 -0.034 0.000 0.841 537 V CB 1.139 32.957 31.823 -0.008 0.000 0.991 537 V HN 0.527 nan 8.190 nan 0.000 0.437 538 T N 4.060 118.593 114.554 -0.034 0.000 2.894 538 T HA 0.663 5.013 4.350 0.001 0.000 0.309 538 T C -1.549 173.140 174.700 -0.019 0.000 1.208 538 T CA -0.303 61.781 62.100 -0.027 0.000 1.016 538 T CB 1.841 70.682 68.868 -0.045 0.000 1.192 538 T HN 0.288 nan 8.240 nan 0.000 0.491 539 V N 5.614 125.525 119.914 -0.004 0.000 2.409 539 V HA 0.426 4.547 4.120 0.001 0.000 0.290 539 V C -2.314 173.781 176.094 0.002 0.000 1.017 539 V CA -1.923 60.380 62.300 0.003 0.000 0.841 539 V CB 1.332 33.173 31.823 0.029 0.000 1.003 539 V HN 0.779 nan 8.190 nan 0.000 0.426 540 P HA 0.037 nan 4.420 nan 0.000 0.259 540 P C 1.060 178.361 177.300 0.002 0.000 1.155 540 P CA 1.817 64.913 63.100 -0.007 0.000 0.759 540 P CB 0.254 31.947 31.700 -0.011 0.000 0.753 541 G N 1.801 110.602 108.800 0.002 0.000 2.143 541 G HA2 -0.246 3.715 3.960 0.001 0.000 0.248 541 G HA3 -0.246 3.715 3.960 0.001 0.000 0.248 541 G C -0.120 174.788 174.900 0.013 0.000 0.991 541 G CA -0.171 44.933 45.100 0.007 0.000 0.689 541 G HN 0.607 nan 8.290 nan 0.000 0.522 542 Q N -0.640 119.169 119.800 0.015 0.000 2.421 542 Q HA 0.427 4.768 4.340 0.001 0.000 0.280 542 Q C -0.877 175.137 176.000 0.023 0.000 1.085 542 Q CA -1.105 54.711 55.803 0.022 0.000 0.807 542 Q CB 1.266 30.023 28.738 0.031 0.000 1.405 542 Q HN 0.173 nan 8.270 nan 0.000 0.419 543 N N 0.629 119.346 118.700 0.028 0.000 2.499 543 N HA 0.327 5.068 4.740 0.001 0.000 0.281 543 N C -1.124 174.409 175.510 0.038 0.000 1.098 543 N CA -0.026 53.045 53.050 0.034 0.000 0.979 543 N CB 1.488 39.998 38.487 0.039 0.000 1.121 543 N HN 0.198 nan 8.380 nan 0.000 0.466 544 V N 1.173 121.112 119.914 0.041 0.000 2.444 544 V HA 0.454 4.575 4.120 0.001 0.000 0.294 544 V C 0.116 176.242 176.094 0.054 0.000 1.022 544 V CA -1.210 61.117 62.300 0.044 0.000 0.850 544 V CB 1.340 33.184 31.823 0.036 0.000 0.992 544 V HN 0.741 nan 8.190 nan 0.000 0.426 545 A N 6.775 129.628 122.820 0.055 0.000 2.444 545 A HA 0.717 5.038 4.320 0.001 0.000 0.273 545 A C -0.501 177.117 177.584 0.056 0.000 1.136 545 A CA 0.143 52.220 52.037 0.066 0.000 0.799 545 A CB -0.127 18.907 19.000 0.058 0.000 1.081 545 A HN 0.801 nan 8.150 nan 0.000 0.509 546 L N 2.409 123.681 121.223 0.080 0.000 2.354 546 L HA 0.698 5.038 4.340 0.001 0.000 0.264 546 L C -0.077 176.837 176.870 0.072 0.000 1.008 546 L CA -0.865 54.011 54.840 0.060 0.000 0.819 546 L CB 2.279 44.371 42.059 0.056 0.000 1.339 546 L HN 0.552 nan 8.230 nan 0.000 0.420 547 K N 1.383 121.807 120.400 0.041 0.000 2.571 547 K HA 0.366 4.687 4.320 0.001 0.000 0.252 547 K C -1.272 175.354 176.600 0.042 0.000 0.956 547 K CA -0.280 56.017 56.287 0.017 0.000 0.822 547 K CB 2.248 34.777 32.500 0.049 0.000 1.286 547 K HN 0.731 nan 8.250 nan 0.000 0.439 548 S N 0.936 116.643 115.700 0.012 0.000 2.651 548 S HA 0.908 5.379 4.470 0.001 0.000 0.291 548 S C 0.177 174.796 174.600 0.032 0.000 1.141 548 S CA -0.602 57.627 58.200 0.047 0.000 1.027 548 S CB 1.931 65.145 63.200 0.024 0.000 1.043 548 S HN 0.619 nan 8.310 nan 0.000 0.530 549 G N -0.054 108.780 108.800 0.058 0.000 2.719 549 G HA2 0.575 4.536 3.960 0.001 0.000 0.298 549 G HA3 0.575 4.536 3.960 0.001 0.000 0.298 549 G C -1.390 173.474 174.900 -0.059 0.000 1.411 549 G CA -0.726 44.386 45.100 0.021 0.000 0.991 549 G HN 0.736 nan 8.290 nan 0.000 0.509 550 T N 0.936 115.389 114.554 -0.168 0.000 3.009 550 T HA 0.629 4.980 4.350 0.001 0.000 0.346 550 T C 0.094 174.643 174.700 -0.252 0.000 1.092 550 T CA -0.144 61.709 62.100 -0.412 0.000 1.080 550 T CB 1.076 69.596 68.868 -0.579 0.000 1.037 550 T HN 1.006 nan 8.240 nan 0.000 0.487 551 A N 3.175 125.915 122.820 -0.135 0.000 2.312 551 A HA 0.652 4.973 4.320 0.001 0.000 0.326 551 A C 0.155 177.769 177.584 0.051 0.000 1.172 551 A CA -0.748 51.288 52.037 -0.002 0.000 0.821 551 A CB 0.710 19.738 19.000 0.047 0.000 1.166 551 A HN 0.719 nan 8.150 nan 0.000 0.493 552 Q N 0.681 120.459 119.800 -0.036 0.000 2.340 552 Q HA 0.405 4.746 4.340 0.001 0.000 0.249 552 Q C -0.834 175.139 176.000 -0.045 0.000 0.957 552 Q CA 0.262 55.957 55.803 -0.179 0.000 0.882 552 Q CB 1.105 29.505 28.738 -0.564 0.000 1.235 552 Q HN 0.672 nan 8.270 nan 0.000 0.439 553 I N 1.426 122.006 120.570 0.017 0.000 2.392 553 I HA 0.356 4.527 4.170 0.001 0.000 0.295 553 I C 0.077 176.353 176.117 0.265 0.000 0.985 553 I CA -0.741 60.634 61.300 0.125 0.000 1.221 553 I CB 1.592 39.607 38.000 0.024 0.000 1.366 553 I HN 0.587 nan 8.210 nan 0.000 0.467 554 A N 4.284 127.223 122.820 0.198 0.000 2.407 554 A HA 0.149 4.470 4.320 0.001 0.000 0.248 554 A C -0.327 177.247 177.584 -0.017 0.000 1.082 554 A CA -0.153 51.896 52.037 0.019 0.000 0.785 554 A CB 0.193 19.166 19.000 -0.044 0.000 1.020 554 A HN 0.721 nan 8.150 nan 0.000 0.489 555 D N 0.922 121.275 120.400 -0.077 0.000 2.198 555 D HA 0.215 4.856 4.640 0.001 0.000 0.245 555 D C 0.616 176.882 176.300 -0.056 0.000 1.079 555 D CA -0.363 53.606 54.000 -0.051 0.000 0.854 555 D CB 1.006 41.776 40.800 -0.051 0.000 1.148 555 D HN 0.498 nan 8.370 nan 0.000 0.456 556 E N 3.712 123.891 120.200 -0.034 0.000 2.008 556 E HA -0.116 4.235 4.350 0.001 0.000 0.191 556 E C 1.561 178.142 176.600 -0.031 0.000 0.986 556 E CA 1.154 57.536 56.400 -0.030 0.000 0.807 556 E CB -0.097 29.592 29.700 -0.018 0.000 0.766 556 E HN 0.491 nan 8.360 nan 0.000 0.450 557 K N 1.033 121.418 120.400 -0.025 0.000 1.963 557 K HA -0.015 4.306 4.320 0.001 0.000 0.216 557 K C 1.873 178.457 176.600 -0.027 0.000 1.045 557 K CA 1.317 57.591 56.287 -0.023 0.000 0.954 557 K CB -0.162 32.328 32.500 -0.017 0.000 0.732 557 K HN 0.014 nan 8.250 nan 0.000 0.442 558 N N 0.472 119.155 118.700 -0.028 0.000 2.512 558 N HA -0.008 4.733 4.740 0.001 0.000 0.183 558 N C 0.699 176.185 175.510 -0.039 0.000 1.073 558 N CA 1.060 54.093 53.050 -0.027 0.000 0.911 558 N CB 0.227 38.702 38.487 -0.021 0.000 0.964 558 N HN 0.384 nan 8.380 nan 0.000 0.447 559 G N -0.207 108.558 108.800 -0.057 0.000 2.814 559 G HA2 0.119 4.080 3.960 0.001 0.000 0.677 559 G HA3 0.119 4.080 3.960 0.001 0.000 0.677 559 G C 0.382 175.210 174.900 -0.120 0.000 1.429 559 G CA -0.210 44.838 45.100 -0.087 0.000 0.868 559 G HN 0.677 nan 8.290 nan 0.000 0.553 560 G N -0.595 108.082 108.800 -0.204 0.000 2.550 560 G HA2 0.120 4.081 3.960 0.001 0.000 0.277 560 G HA3 0.120 4.081 3.960 0.001 0.000 0.277 560 G C 0.012 174.630 174.900 -0.470 0.000 1.190 560 G CA 1.117 46.026 45.100 -0.318 0.000 0.971 560 G HN 1.982 nan 8.290 nan 0.000 0.559 561 Y N -0.456 119.837 120.300 -0.011 0.000 2.524 561 Y HA 0.686 5.237 4.550 0.001 0.000 0.344 561 Y C 0.914 176.780 175.900 -0.056 0.000 1.012 561 Y CA -0.925 57.156 58.100 -0.032 0.000 1.068 561 Y CB 1.500 39.947 38.460 -0.022 0.000 1.249 561 Y HN 0.588 nan 8.280 nan 0.000 0.468 562 L N 2.380 123.655 121.223 0.087 0.000 2.456 562 L HA 0.124 4.464 4.340 0.001 0.000 0.272 562 L C 0.973 177.805 176.870 -0.063 0.000 1.189 562 L CA -0.149 54.681 54.840 -0.017 0.000 0.846 562 L CB 0.553 42.574 42.059 -0.063 0.000 1.111 562 L HN 0.713 nan 8.230 nan 0.000 0.475 563 V N -0.611 119.276 119.914 -0.044 0.000 3.578 563 V HA 0.305 4.426 4.120 0.001 0.000 0.290 563 V C 1.003 177.075 176.094 -0.037 0.000 1.376 563 V CA 0.020 62.301 62.300 -0.031 0.000 1.083 563 V CB -0.389 31.441 31.823 0.011 0.000 0.911 563 V HN 0.759 nan 8.190 nan 0.000 0.433 564 G N 0.247 109.009 108.800 -0.064 0.000 2.630 564 G HA2 0.268 4.228 3.960 0.001 0.000 0.236 564 G HA3 0.268 4.228 3.960 0.001 0.000 0.236 564 G C 0.560 175.455 174.900 -0.008 0.000 1.248 564 G CA -0.121 44.956 45.100 -0.038 0.000 0.844 564 G HN 0.190 nan 8.290 nan 0.000 0.588 565 L N 0.818 122.071 121.223 0.050 0.000 2.081 565 L HA -0.025 4.316 4.340 0.001 0.000 0.212 565 L C 2.746 179.759 176.870 0.238 0.000 1.080 565 L CA 2.508 57.424 54.840 0.127 0.000 0.754 565 L CB -0.454 41.661 42.059 0.092 0.000 0.893 565 L HN 0.766 nan 8.230 nan 0.000 0.433 566 T N -5.691 108.970 114.554 0.177 0.000 3.380 566 T HA 0.204 4.555 4.350 0.001 0.000 0.289 566 T C 0.046 174.845 174.700 0.165 0.000 1.012 566 T CA -0.552 61.738 62.100 0.315 0.000 0.944 566 T CB -0.287 68.722 68.868 0.235 0.000 1.172 566 T HN -0.090 nan 8.240 nan 0.000 0.502 567 D N 2.422 122.745 120.400 -0.129 0.000 2.608 567 D HA 0.332 4.973 4.640 0.001 0.000 0.224 567 D C -0.832 175.095 176.300 -0.622 0.000 1.123 567 D CA 0.187 54.012 54.000 -0.292 0.000 1.030 567 D CB -0.202 40.429 40.800 -0.282 0.000 1.093 567 D HN 0.523 nan 8.370 nan 0.000 0.497 568 Y N -0.654 119.554 120.300 -0.152 0.000 2.615 568 Y HA 0.441 4.992 4.550 0.001 0.000 0.341 568 Y C 0.208 175.911 175.900 -0.328 0.000 1.089 568 Y CA -1.123 56.763 58.100 -0.357 0.000 1.049 568 Y CB 1.508 39.483 38.460 -0.808 0.000 1.296 568 Y HN -0.081 nan 8.280 nan 0.000 0.470 569 I N 3.097 123.580 120.570 -0.144 0.000 2.310 569 I HA 0.229 4.399 4.170 0.001 0.000 0.287 569 I C -1.118 174.851 176.117 -0.247 0.000 1.073 569 I CA -0.278 60.941 61.300 -0.135 0.000 1.216 569 I CB 0.009 37.975 38.000 -0.056 0.000 1.415 569 I HN 0.333 nan 8.210 nan 0.000 0.480 570 F N 4.737 124.542 119.950 -0.240 0.000 2.504 570 F HA 0.268 4.796 4.527 0.001 0.000 0.369 570 F C 1.047 176.698 175.800 -0.249 0.000 1.082 570 F CA 0.131 57.901 58.000 -0.384 0.000 1.216 570 F CB 0.827 39.202 39.000 -1.042 0.000 1.108 570 F HN 0.458 nan 8.300 nan 0.000 0.554 571 S N 2.118 117.852 115.700 0.056 0.000 2.618 571 S HA 0.970 5.441 4.470 0.001 0.000 0.277 571 S C -1.112 173.592 174.600 0.174 0.000 1.138 571 S CA -0.679 57.572 58.200 0.085 0.000 0.844 571 S CB 2.054 65.316 63.200 0.104 0.000 1.127 571 S HN 1.053 nan 8.310 nan 0.000 0.474 572 A N 0.349 123.287 122.820 0.196 0.000 2.574 572 A HA 0.831 5.152 4.320 0.001 0.000 0.297 572 A C -1.356 176.382 177.584 0.257 0.000 1.062 572 A CA -0.628 51.533 52.037 0.207 0.000 0.686 572 A CB 1.547 20.647 19.000 0.167 0.000 1.285 572 A HN 1.868 nan 8.150 nan 0.000 0.403 573 V N 1.839 121.841 119.914 0.147 0.000 2.588 573 V HA 0.853 4.973 4.120 0.001 0.000 0.304 573 V C -0.371 175.681 176.094 -0.069 0.000 1.042 573 V CA 0.315 62.604 62.300 -0.019 0.000 0.877 573 V CB 2.018 33.534 31.823 -0.511 0.000 0.996 573 V HN 1.764 nan 8.190 nan 0.000 0.425 574 S N 6.874 122.545 115.700 -0.048 0.000 2.526 574 S HA 0.838 5.309 4.470 0.001 0.000 0.293 574 S C -0.897 173.696 174.600 -0.011 0.000 1.092 574 S CA -0.890 57.302 58.200 -0.012 0.000 0.980 574 S CB 1.867 65.087 63.200 0.034 0.000 1.048 574 S HN 0.731 nan 8.310 nan 0.000 0.483 575 M N 2.975 122.581 119.600 0.009 0.000 2.142 575 M HA 0.478 4.959 4.480 0.001 0.000 0.299 575 M C -0.916 175.417 176.300 0.055 0.000 0.960 575 M CA -0.432 54.889 55.300 0.034 0.000 0.920 575 M CB 2.310 34.919 32.600 0.016 0.000 1.541 575 M HN 0.888 nan 8.290 nan 0.000 0.429 576 S N 2.455 118.205 115.700 0.083 0.000 2.547 576 S HA 0.821 5.292 4.470 0.001 0.000 0.281 576 S C -3.142 171.486 174.600 0.047 0.000 1.118 576 S CA -1.600 56.649 58.200 0.082 0.000 0.947 576 S CB 1.899 65.171 63.200 0.120 0.000 1.053 576 S HN 0.286 nan 8.310 nan 0.000 0.482 577 P HA 0.382 nan 4.420 nan 0.000 0.278 577 P C 0.730 178.041 177.300 0.020 0.000 1.238 577 P CA -0.534 62.580 63.100 0.024 0.000 0.794 577 P CB 0.685 32.392 31.700 0.012 0.000 0.955 578 A N 2.431 125.269 122.820 0.030 0.000 1.940 578 A HA -0.238 4.083 4.320 0.001 0.000 0.219 578 A C 1.790 179.389 177.584 0.026 0.000 1.176 578 A CA 1.843 53.900 52.037 0.033 0.000 0.631 578 A CB -1.139 17.887 19.000 0.043 0.000 0.814 578 A HN 0.532 nan 8.150 nan 0.000 0.446 579 E N -0.501 119.712 120.200 0.021 0.000 2.047 579 E HA -0.058 4.293 4.350 0.001 0.000 0.191 579 E C 0.569 177.174 176.600 0.009 0.000 0.987 579 E CA 1.272 57.682 56.400 0.017 0.000 0.799 579 E CB -0.034 29.675 29.700 0.015 0.000 0.752 579 E HN 0.551 nan 8.360 nan 0.000 0.449 580 N N -0.114 118.586 118.700 -0.001 0.000 2.707 580 N HA 0.213 4.954 4.740 0.001 0.000 0.249 580 N C -2.951 172.539 175.510 -0.034 0.000 1.299 580 N CA -1.986 51.056 53.050 -0.013 0.000 0.769 580 N CB 0.910 39.387 38.487 -0.017 0.000 1.236 580 N HN -0.215 nan 8.380 nan 0.000 0.524 581 P HA 0.136 nan 4.420 nan 0.000 0.265 581 P C -0.063 177.161 177.300 -0.127 0.000 1.193 581 P CA 0.060 63.133 63.100 -0.046 0.000 0.765 581 P CB 1.037 32.735 31.700 -0.004 0.000 0.823 582 D N 1.461 121.708 120.400 -0.256 0.000 2.323 582 D HA 0.097 4.738 4.640 0.001 0.000 0.218 582 D C 0.164 176.050 176.300 -0.689 0.000 0.973 582 D CA 1.269 54.911 54.000 -0.597 0.000 0.890 582 D CB 0.083 40.284 40.800 -0.999 0.000 1.011 582 D HN 0.286 nan 8.370 nan 0.000 0.499 583 F N 0.219 120.191 119.950 0.036 0.000 2.551 583 F HA 0.493 5.020 4.527 0.001 0.000 0.316 583 F C -0.097 175.728 175.800 0.041 0.000 1.089 583 F CA -1.042 56.984 58.000 0.044 0.000 0.915 583 F CB 1.713 40.736 39.000 0.039 0.000 1.186 583 F HN -0.364 nan 8.300 nan 0.000 0.456 584 I N 3.784 124.507 120.570 0.255 0.000 2.406 584 I HA 0.453 4.624 4.170 0.001 0.000 0.290 584 I C -1.287 174.932 176.117 0.171 0.000 0.999 584 I CA -0.825 60.568 61.300 0.155 0.000 1.124 584 I CB 1.894 39.975 38.000 0.135 0.000 1.289 584 I HN 0.360 nan 8.210 nan 0.000 0.441 585 L N 7.647 128.947 121.223 0.129 0.000 2.333 585 L HA 0.519 4.860 4.340 0.001 0.000 0.280 585 L C -1.632 175.373 176.870 0.225 0.000 1.004 585 L CA -0.426 54.511 54.840 0.162 0.000 0.820 585 L CB 1.284 43.412 42.059 0.115 0.000 1.247 585 L HN 0.429 nan 8.230 nan 0.000 0.416 586 Y N 4.963 125.337 120.300 0.123 0.000 2.331 586 Y HA 0.731 5.282 4.550 0.001 0.000 0.334 586 Y C -1.324 174.680 175.900 0.175 0.000 0.960 586 Y CA -1.149 57.043 58.100 0.155 0.000 1.130 586 Y CB 1.716 40.330 38.460 0.256 0.000 1.164 586 Y HN 0.346 nan 8.280 nan 0.000 0.458 587 V N 5.302 125.173 119.914 -0.071 0.000 2.588 587 V HA 0.596 4.717 4.120 0.001 0.000 0.304 587 V C -0.497 175.443 176.094 -0.257 0.000 1.042 587 V CA -0.639 61.606 62.300 -0.092 0.000 0.877 587 V CB 2.034 33.928 31.823 0.119 0.000 0.996 587 V HN 0.834 nan 8.190 nan 0.000 0.425 588 T N 1.364 115.751 114.554 -0.278 0.000 2.861 588 T HA 0.809 5.159 4.350 0.001 0.000 0.287 588 T C -1.024 173.576 174.700 -0.166 0.000 1.003 588 T CA -0.742 61.208 62.100 -0.251 0.000 0.977 588 T CB 1.812 70.449 68.868 -0.385 0.000 0.996 588 T HN 0.326 nan 8.240 nan 0.000 0.448 589 V N 3.346 123.178 119.914 -0.137 0.000 2.409 589 V HA 0.452 4.573 4.120 0.001 0.000 0.290 589 V C -0.214 175.833 176.094 -0.077 0.000 1.017 589 V CA -0.759 61.447 62.300 -0.156 0.000 0.841 589 V CB 1.384 33.064 31.823 -0.239 0.000 1.003 589 V HN 1.032 nan 8.190 nan 0.000 0.426 590 Q N 3.581 123.346 119.800 -0.057 0.000 2.303 590 Q HA 0.443 4.784 4.340 0.001 0.000 0.257 590 Q C -0.270 175.729 176.000 -0.003 0.000 0.941 590 Q CA -0.332 55.471 55.803 0.000 0.000 0.931 590 Q CB 0.764 29.543 28.738 0.067 0.000 1.215 590 Q HN 0.737 nan 8.270 nan 0.000 0.437 591 Q N 2.153 121.979 119.800 0.043 0.000 2.454 591 Q HA -0.179 4.162 4.340 0.001 0.000 0.341 591 Q C -2.312 173.675 176.000 -0.020 0.000 1.437 591 Q CA 0.194 56.012 55.803 0.026 0.000 0.935 591 Q CB -1.007 27.714 28.738 -0.028 0.000 1.164 591 Q HN 0.544 nan 8.270 nan 0.000 0.373 592 P HA 0.027 nan 4.420 nan 0.000 0.277 592 P C 0.095 177.337 177.300 -0.097 0.000 1.271 592 P CA -0.106 62.944 63.100 -0.082 0.000 0.795 592 P CB 0.769 32.403 31.700 -0.110 0.000 1.101 593 E N -0.768 119.308 120.200 -0.207 0.000 2.042 593 E HA -0.050 4.301 4.350 0.001 0.000 0.189 593 E C 0.385 176.749 176.600 -0.393 0.000 0.974 593 E CA 0.906 57.088 56.400 -0.362 0.000 0.806 593 E CB -0.050 29.299 29.700 -0.586 0.000 0.769 593 E HN 0.627 nan 8.360 nan 0.000 0.451 594 H N -2.106 116.936 119.070 -0.046 0.000 2.821 594 H HA 0.496 5.053 4.556 0.001 0.000 0.373 594 H C -1.477 173.805 175.328 -0.076 0.000 1.165 594 H CA -0.966 55.049 56.048 -0.054 0.000 1.154 594 H CB 1.668 31.399 29.762 -0.052 0.000 1.765 594 H HN 0.013 nan 8.280 nan 0.000 0.549 595 Y N 1.189 121.384 120.300 -0.174 0.000 2.521 595 Y HA 0.382 4.933 4.550 0.001 0.000 0.332 595 Y C -1.469 174.264 175.900 -0.278 0.000 1.121 595 Y CA -0.429 57.465 58.100 -0.342 0.000 1.037 595 Y CB 2.231 40.197 38.460 -0.824 0.000 1.330 595 Y HN 1.000 nan 8.280 nan 0.000 0.452 596 S N 1.649 116.886 115.700 -0.771 0.000 2.638 596 S HA 0.525 4.996 4.470 0.001 0.000 0.274 596 S C 0.456 174.637 174.600 -0.698 0.000 1.157 596 S CA -0.385 57.493 58.200 -0.536 0.000 0.826 596 S CB 1.201 64.246 63.200 -0.257 0.000 1.139 596 S HN 1.286 nan 8.310 nan 0.000 0.474 597 G N 0.523 109.124 108.800 -0.333 0.000 2.470 597 G HA2 -0.011 3.950 3.960 0.001 0.000 0.220 597 G HA3 -0.011 3.950 3.960 0.001 0.000 0.220 597 G C 1.073 175.854 174.900 -0.198 0.000 1.121 597 G CA 0.763 45.735 45.100 -0.214 0.000 0.766 597 G HN 0.603 nan 8.290 nan 0.000 0.553 598 I N 0.694 121.148 120.570 -0.193 0.000 2.142 598 I HA -0.166 4.005 4.170 0.001 0.000 0.240 598 I C 2.792 178.816 176.117 -0.155 0.000 1.078 598 I CA 1.184 62.396 61.300 -0.147 0.000 1.343 598 I CB -1.311 36.618 38.000 -0.118 0.000 1.046 598 I HN 0.197 nan 8.210 nan 0.000 0.405 599 Q N 0.276 119.968 119.800 -0.181 0.000 2.135 599 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 599 Q C 2.179 178.044 176.000 -0.224 0.000 0.981 599 Q CA 1.323 57.071 55.803 -0.092 0.000 0.856 599 Q CB -0.456 28.312 28.738 0.051 0.000 0.902 599 Q HN 0.395 nan 8.270 nan 0.000 0.425 600 L N -0.047 121.024 121.223 -0.253 0.000 1.989 600 L HA -0.088 4.253 4.340 0.001 0.000 0.211 600 L C 2.007 178.751 176.870 -0.211 0.000 1.071 600 L CA 2.462 57.141 54.840 -0.268 0.000 0.749 600 L CB -1.183 40.847 42.059 -0.049 0.000 0.890 600 L HN 0.233 nan 8.230 nan 0.000 0.431 601 G N -1.231 107.481 108.800 -0.147 0.000 2.446 601 G HA2 -0.283 3.677 3.960 0.001 0.000 0.217 601 G HA3 -0.283 3.677 3.960 0.001 0.000 0.217 601 G C 1.432 176.253 174.900 -0.132 0.000 1.168 601 G CA 0.816 45.846 45.100 -0.115 0.000 0.771 601 G HN 0.556 nan 8.290 nan 0.000 0.551 602 E N -0.647 119.471 120.200 -0.136 0.000 2.171 602 E HA -0.160 4.191 4.350 0.001 0.000 0.197 602 E C 1.964 178.478 176.600 -0.144 0.000 0.997 602 E CA 0.979 57.310 56.400 -0.115 0.000 0.810 602 E CB -0.176 29.474 29.700 -0.084 0.000 0.738 602 E HN 0.560 nan 8.360 nan 0.000 0.467 603 F N 0.573 120.266 119.950 -0.428 0.000 2.147 603 F HA 0.093 4.621 4.527 0.001 0.000 0.291 603 F C 2.146 177.747 175.800 -0.332 0.000 1.093 603 F CA 1.207 58.903 58.000 -0.508 0.000 1.263 603 F CB -0.369 37.974 39.000 -1.094 0.000 1.036 603 F HN -0.075 nan 8.300 nan 0.000 0.481 604 A N 0.741 123.377 122.820 -0.306 0.000 1.897 604 A HA -0.123 4.197 4.320 0.001 0.000 0.215 604 A C 1.975 179.422 177.584 -0.229 0.000 1.181 604 A CA 1.685 53.554 52.037 -0.280 0.000 0.620 604 A CB -0.987 17.990 19.000 -0.039 0.000 0.821 604 A HN 0.510 nan 8.150 nan 0.000 0.443 605 N N 0.403 119.011 118.700 -0.154 0.000 2.043 605 N HA -0.109 4.632 4.740 0.001 0.000 0.193 605 N C -0.818 174.646 175.510 -0.077 0.000 1.037 605 N CA 1.902 54.894 53.050 -0.097 0.000 0.851 605 N CB -1.869 36.573 38.487 -0.075 0.000 1.027 605 N HN 0.300 nan 8.380 nan 0.000 0.422 606 P HA -0.038 nan 4.420 nan 0.000 0.219 606 P C 1.458 178.849 177.300 0.152 0.000 1.146 606 P CA 0.833 63.971 63.100 0.063 0.000 0.808 606 P CB 0.033 31.846 31.700 0.189 0.000 0.779 607 I N -1.401 119.173 120.570 0.006 0.000 2.202 607 I HA -0.204 3.966 4.170 0.001 0.000 0.242 607 I C 2.281 178.335 176.117 -0.105 0.000 1.091 607 I CA 1.289 62.571 61.300 -0.031 0.000 1.368 607 I CB -0.601 37.220 38.000 -0.299 0.000 1.058 607 I HN -0.119 nan 8.210 nan 0.000 0.410 608 L N 0.214 121.362 121.223 -0.125 0.000 2.083 608 L HA -0.195 4.145 4.340 0.001 0.000 0.209 608 L C 2.532 179.351 176.870 -0.086 0.000 1.083 608 L CA 1.379 56.148 54.840 -0.118 0.000 0.752 608 L CB -0.626 41.403 42.059 -0.049 0.000 0.899 608 L HN 0.296 nan 8.230 nan 0.000 0.433 609 E N 0.130 120.294 120.200 -0.061 0.000 2.051 609 E HA -0.231 4.120 4.350 0.001 0.000 0.192 609 E C 2.344 178.901 176.600 -0.073 0.000 0.991 609 E CA 1.151 57.522 56.400 -0.048 0.000 0.799 609 E CB -0.060 29.612 29.700 -0.048 0.000 0.748 609 E HN 0.410 nan 8.360 nan 0.000 0.449 610 R N 0.427 120.859 120.500 -0.113 0.000 2.096 610 R HA -0.086 4.255 4.340 0.001 0.000 0.235 610 R C 2.329 178.546 176.300 -0.140 0.000 1.127 610 R CA 1.068 57.080 56.100 -0.147 0.000 0.968 610 R CB -0.248 29.914 30.300 -0.231 0.000 0.861 610 R HN 0.114 nan 8.270 nan 0.000 0.440 611 A N 0.296 122.983 122.820 -0.223 0.000 1.877 611 A HA -0.174 4.147 4.320 0.001 0.000 0.216 611 A C 2.162 179.665 177.584 -0.136 0.000 1.186 611 A CA 1.922 53.693 52.037 -0.443 0.000 0.620 611 A CB -0.585 17.811 19.000 -1.006 0.000 0.822 611 A HN 0.253 nan 8.150 nan 0.000 0.443 612 S N -0.284 115.446 115.700 0.050 0.000 2.399 612 S HA -0.004 4.467 4.470 0.001 0.000 0.231 612 S C 2.133 176.814 174.600 0.136 0.000 1.022 612 S CA 1.061 59.413 58.200 0.253 0.000 0.983 612 S CB -0.357 62.944 63.200 0.169 0.000 0.803 612 S HN 0.791 nan 8.310 nan 0.000 0.480 613 A N 0.543 123.391 122.820 0.048 0.000 2.119 613 A HA 0.186 4.506 4.320 0.001 0.000 0.217 613 A C 1.839 179.440 177.584 0.029 0.000 1.153 613 A CA 0.803 52.852 52.037 0.020 0.000 0.692 613 A CB -0.380 18.606 19.000 -0.023 0.000 0.799 613 A HN 0.493 nan 8.150 nan 0.000 0.458 614 M N -1.411 118.218 119.600 0.049 0.000 2.371 614 M HA 0.131 4.612 4.480 0.001 0.000 0.246 614 M C 1.673 178.038 176.300 0.108 0.000 1.103 614 M CA 0.126 55.458 55.300 0.053 0.000 1.010 614 M CB 0.225 32.837 32.600 0.020 0.000 1.457 614 M HN 0.342 nan 8.290 nan 0.000 0.486 615 K N 1.155 121.651 120.400 0.161 0.000 2.127 615 K HA -0.233 4.088 4.320 0.001 0.000 0.208 615 K C 1.004 177.655 176.600 0.085 0.000 1.047 615 K CA 1.783 58.169 56.287 0.164 0.000 0.927 615 K CB 0.075 32.646 32.500 0.118 0.000 0.716 615 K HN 0.331 nan 8.250 nan 0.000 0.450 616 D N -0.245 120.190 120.400 0.057 0.000 2.084 616 D HA -0.125 4.516 4.640 0.001 0.000 0.196 616 D C 2.087 178.408 176.300 0.036 0.000 0.985 616 D CA 1.763 55.784 54.000 0.035 0.000 0.826 616 D CB -0.353 40.461 40.800 0.024 0.000 0.978 616 D HN 0.336 nan 8.370 nan 0.000 0.456 617 S N 0.703 116.425 115.700 0.038 0.000 2.382 617 S HA -0.114 4.357 4.470 0.001 0.000 0.228 617 S C 1.331 175.959 174.600 0.047 0.000 1.027 617 S CA 0.306 58.526 58.200 0.034 0.000 0.991 617 S CB -0.772 62.444 63.200 0.027 0.000 0.823 617 S HN 0.155 nan 8.310 nan 0.000 0.469 618 L N 2.765 124.029 121.223 0.069 0.000 2.477 618 L HA 0.258 4.599 4.340 0.001 0.000 0.272 618 L C 0.215 177.127 176.870 0.069 0.000 1.157 618 L CA -0.289 54.603 54.840 0.087 0.000 0.889 618 L CB -0.281 41.864 42.059 0.144 0.000 1.158 618 L HN 0.164 nan 8.230 nan 0.000 0.473 619 N N 4.282 123.016 118.700 0.057 0.000 2.558 619 N HA 0.396 5.137 4.740 0.001 0.000 0.233 619 N C -0.626 174.908 175.510 0.040 0.000 1.038 619 N CA -0.203 52.869 53.050 0.038 0.000 0.934 619 N CB 0.385 38.886 38.487 0.023 0.000 1.175 619 N HN 0.416 nan 8.380 nan 0.000 0.512 620 L N 0.000 121.244 121.223 0.034 0.000 2.949 620 L HA 0.000 4.341 4.340 0.001 0.000 0.249 620 L CA 0.000 54.858 54.840 0.031 0.000 0.813 620 L CB 0.000 42.069 42.059 0.016 0.000 0.961 620 L HN 0.000 nan 8.230 nan 0.000 0.502