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 1ft1_1_B DATA FIRST_RESID 22 DATA SEQUENCE PLYSLRPEHA RERLQDDSVE TVTSIEQAKV EEKIQEVFSS YKFNHLVPRL DATA SEQUENCE VLQREKHFHY LKRGLRQLTD AYECLDASRP WLCYWILHSL ELLDEPIPQI DATA SEQUENCE VATDVCQFLE LCQSPDGGFG GGPGQYPHLA PTYAAVNALC IIGTEEAYNV DATA SEQUENCE INREKLLQYL YSLKQPDGSF LMHVGGEVDV RSAYCAASVA SLTNIITPDL DATA SEQUENCE FEGTAEWIAR CQNWEGGIGG VPGMEAHGGY TFCGLAALVI LKKERSLNLK DATA SEQUENCE SLLQWVTSRQ MRFEGGFQGR CNKLVDGCYS FWQAGLLPLL HRALHAQGDP DATA SEQUENCE ALSMSHWMFH QQALQEYILM CCQCPAGGLL DKPGKSRDFY HTCYCLSGLS DATA SEQUENCE IAQHFGSGAM LHDVVMGVPE NVLQPTHPVY NIGPDKVIQA TTHFLQKPVP DATA SEQUENCE GFEECEDAVT SDPATD 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.255 177.300 -0.075 0.000 1.155 22 P CA 0.000 63.058 63.100 -0.070 0.000 0.800 22 P CB 0.000 31.651 31.700 -0.081 0.000 0.726 23 L N 0.506 121.658 121.223 -0.118 0.000 2.305 23 L HA 0.245 4.585 4.340 0.000 0.000 0.281 23 L C 1.803 178.565 176.870 -0.180 0.000 1.085 23 L CA -0.539 54.219 54.840 -0.136 0.000 0.813 23 L CB 0.731 42.677 42.059 -0.188 0.000 1.157 23 L HN 0.479 nan 8.230 nan 0.000 0.436 24 Y N 2.662 122.805 120.300 -0.261 0.000 2.102 24 Y HA -0.368 4.182 4.550 0.000 0.000 0.280 24 Y C 2.421 177.983 175.900 -0.563 0.000 1.178 24 Y CA 2.381 60.301 58.100 -0.301 0.000 1.146 24 Y CB 0.164 38.431 38.460 -0.321 0.000 0.968 24 Y HN 0.683 nan 8.280 nan 0.000 0.504 25 S N -0.084 115.151 115.700 -0.775 0.000 2.447 25 S HA -0.085 4.385 4.470 0.000 0.000 0.233 25 S C 1.798 175.601 174.600 -1.330 0.000 1.006 25 S CA 1.346 58.573 58.200 -1.622 0.000 0.957 25 S CB -0.257 61.854 63.200 -1.814 0.000 0.773 25 S HN 0.464 nan 8.310 nan 0.000 0.507 26 L N 0.277 121.076 121.223 -0.706 0.000 2.416 26 L HA 0.184 4.524 4.340 0.000 0.000 0.216 26 L C 0.883 177.622 176.870 -0.219 0.000 1.098 26 L CA -0.008 54.615 54.840 -0.361 0.000 0.840 26 L CB -0.167 41.766 42.059 -0.210 0.000 0.981 26 L HN 0.056 nan 8.230 nan 0.000 0.462 27 R N 1.008 121.355 120.500 -0.254 0.000 2.644 27 R HA -0.106 4.234 4.340 0.000 0.000 0.265 27 R C -1.443 174.818 176.300 -0.064 0.000 0.985 27 R CA -0.760 55.252 56.100 -0.145 0.000 1.097 27 R CB -0.212 29.981 30.300 -0.178 0.000 0.931 27 R HN -0.102 nan 8.270 nan 0.000 0.419 28 P HA -0.197 nan 4.420 nan 0.000 0.215 28 P C 0.347 177.657 177.300 0.017 0.000 1.157 28 P CA 1.364 64.468 63.100 0.005 0.000 0.868 28 P CB 0.210 31.910 31.700 0.000 0.000 0.788 29 E N -1.765 118.431 120.200 -0.006 0.000 2.265 29 E HA -0.221 4.129 4.350 0.000 0.000 0.196 29 E C 1.922 178.521 176.600 -0.002 0.000 0.996 29 E CA 0.806 57.200 56.400 -0.011 0.000 0.832 29 E CB -1.541 28.142 29.700 -0.029 0.000 0.756 29 E HN 0.445 nan 8.360 nan 0.000 0.491 30 H N 0.461 119.464 119.070 -0.111 0.000 2.492 30 H HA -0.012 4.544 4.556 0.000 0.000 0.296 30 H C 1.581 176.955 175.328 0.078 0.000 1.095 30 H CA 1.265 57.258 56.048 -0.093 0.000 1.281 30 H CB 0.165 29.807 29.762 -0.199 0.000 1.374 30 H HN 0.298 nan 8.280 nan 0.000 0.545 31 A N 0.784 123.674 122.820 0.117 0.000 2.168 31 A HA -0.063 4.257 4.320 0.000 0.000 0.215 31 A C 2.310 179.871 177.584 -0.037 0.000 1.152 31 A CA 0.296 52.373 52.037 0.067 0.000 0.716 31 A CB -0.213 18.821 19.000 0.057 0.000 0.794 31 A HN 0.286 nan 8.150 nan 0.000 0.465 32 R N 0.057 120.531 120.500 -0.045 0.000 2.193 32 R HA -0.011 4.329 4.340 0.000 0.000 0.213 32 R C 0.560 176.810 176.300 -0.085 0.000 1.055 32 R CA 0.639 56.703 56.100 -0.060 0.000 0.995 32 R CB -0.119 30.154 30.300 -0.045 0.000 0.893 32 R HN 0.466 nan 8.270 nan 0.000 0.459 33 E N 0.859 120.986 120.200 -0.122 0.000 2.511 33 E HA 0.006 4.356 4.350 0.000 0.000 0.196 33 E C 0.406 176.954 176.600 -0.086 0.000 1.066 33 E CA 0.205 56.538 56.400 -0.111 0.000 0.871 33 E CB 0.040 29.604 29.700 -0.226 0.000 0.863 33 E HN 0.085 nan 8.360 nan 0.000 0.520 34 R N 0.812 121.200 120.500 -0.187 0.000 2.641 34 R HA 0.111 4.451 4.340 0.000 0.000 0.269 34 R C 0.497 176.704 176.300 -0.155 0.000 1.074 34 R CA -0.807 55.114 56.100 -0.300 0.000 1.133 34 R CB 0.314 30.379 30.300 -0.393 0.000 1.029 34 R HN 0.054 nan 8.270 nan 0.000 0.488 35 L N 2.295 123.435 121.223 -0.138 0.000 2.578 35 L HA -0.102 4.238 4.340 0.000 0.000 0.279 35 L C -0.044 176.786 176.870 -0.066 0.000 1.227 35 L CA 1.233 56.028 54.840 -0.075 0.000 0.900 35 L CB 0.166 42.190 42.059 -0.059 0.000 1.144 35 L HN 0.385 nan 8.230 nan 0.000 0.496 36 Q N 3.862 123.636 119.800 -0.044 0.000 2.425 36 Q HA 0.158 4.498 4.340 0.000 0.000 0.254 36 Q C -0.160 175.827 176.000 -0.023 0.000 1.032 36 Q CA -0.381 55.402 55.803 -0.034 0.000 0.798 36 Q CB 0.987 29.709 28.738 -0.027 0.000 1.210 36 Q HN 0.727 nan 8.270 nan 0.000 0.491 37 D N 1.908 122.295 120.400 -0.022 0.000 2.324 37 D HA -0.095 4.545 4.640 0.000 0.000 0.235 37 D C -0.290 176.005 176.300 -0.008 0.000 1.095 37 D CA -0.020 53.972 54.000 -0.013 0.000 0.871 37 D CB 0.167 40.960 40.800 -0.013 0.000 0.906 37 D HN 0.460 nan 8.370 nan 0.000 0.522 38 D N -0.053 120.341 120.400 -0.010 0.000 2.955 38 D HA -0.254 4.386 4.640 0.000 0.000 0.226 38 D C -0.148 176.149 176.300 -0.005 0.000 1.178 38 D CA 1.149 55.145 54.000 -0.006 0.000 0.808 38 D CB -1.577 39.222 40.800 -0.002 0.000 1.099 38 D HN 0.312 nan 8.370 nan 0.000 0.421 39 S N -2.969 112.726 115.700 -0.008 0.000 3.261 39 S HA -0.231 4.239 4.470 0.000 0.000 0.287 39 S C 0.333 174.931 174.600 -0.003 0.000 1.281 39 S CA 0.957 59.153 58.200 -0.007 0.000 1.053 39 S CB -0.950 62.247 63.200 -0.006 0.000 1.251 39 S HN 0.367 nan 8.310 nan 0.000 0.659 40 V N 1.945 121.858 119.914 -0.002 0.000 2.275 40 V HA 0.315 4.435 4.120 0.000 0.000 0.272 40 V C 0.380 176.475 176.094 0.002 0.000 1.028 40 V CA -0.419 61.882 62.300 0.001 0.000 0.810 40 V CB 1.222 33.047 31.823 0.003 0.000 1.043 40 V HN 0.306 nan 8.190 nan 0.000 0.453 41 E N 3.222 123.423 120.200 0.002 0.000 2.259 41 E HA 0.555 4.905 4.350 0.000 0.000 0.281 41 E C 0.155 176.759 176.600 0.006 0.000 1.027 41 E CA -0.163 56.239 56.400 0.002 0.000 0.838 41 E CB 1.515 31.215 29.700 0.001 0.000 1.066 41 E HN 0.843 nan 8.360 nan 0.000 0.401 42 T N -1.807 112.752 114.554 0.009 0.000 2.865 42 T HA 0.208 4.558 4.350 0.000 0.000 0.294 42 T C 1.048 175.756 174.700 0.014 0.000 1.119 42 T CA -0.853 61.254 62.100 0.013 0.000 1.007 42 T CB 1.000 69.878 68.868 0.017 0.000 1.225 42 T HN 0.108 nan 8.240 nan 0.000 0.515 43 V N 1.181 121.106 119.914 0.018 0.000 2.324 43 V HA -0.224 3.896 4.120 0.000 0.000 0.250 43 V C 2.902 179.008 176.094 0.021 0.000 1.060 43 V CA 2.825 65.136 62.300 0.019 0.000 1.042 43 V CB -1.458 30.379 31.823 0.023 0.000 0.650 43 V HN 1.114 nan 8.190 nan 0.000 0.450 44 T N 0.486 115.054 114.554 0.023 0.000 2.652 44 T HA -0.219 4.132 4.350 0.000 0.000 0.267 44 T C 2.112 176.822 174.700 0.017 0.000 1.039 44 T CA 2.119 64.233 62.100 0.024 0.000 1.153 44 T CB -0.456 68.428 68.868 0.027 0.000 0.863 44 T HN 0.759 nan 8.240 nan 0.000 0.428 45 S N 1.694 117.402 115.700 0.013 0.000 2.356 45 S HA -0.055 4.416 4.470 0.000 0.000 0.223 45 S C 2.115 176.717 174.600 0.003 0.000 1.032 45 S CA 0.933 59.136 58.200 0.005 0.000 1.005 45 S CB -0.911 62.290 63.200 0.001 0.000 0.867 45 S HN 0.471 nan 8.310 nan 0.000 0.449 46 I N 2.130 122.703 120.570 0.006 0.000 2.151 46 I HA -0.184 3.986 4.170 0.000 0.000 0.243 46 I C 2.831 178.953 176.117 0.009 0.000 1.080 46 I CA 1.679 62.981 61.300 0.005 0.000 1.339 46 I CB -0.404 37.600 38.000 0.007 0.000 1.039 46 I HN 0.262 nan 8.210 nan 0.000 0.409 47 E N 0.148 120.357 120.200 0.015 0.000 2.204 47 E HA -0.247 4.103 4.350 0.000 0.000 0.194 47 E C 1.995 178.609 176.600 0.022 0.000 0.989 47 E CA 0.943 57.355 56.400 0.020 0.000 0.824 47 E CB -0.275 29.441 29.700 0.026 0.000 0.756 47 E HN 0.465 nan 8.360 nan 0.000 0.477 48 Q N 0.959 120.770 119.800 0.018 0.000 2.083 48 Q HA 0.008 4.348 4.340 0.000 0.000 0.198 48 Q C 1.966 177.975 176.000 0.016 0.000 0.969 48 Q CA 1.760 57.576 55.803 0.021 0.000 0.838 48 Q CB -0.357 28.390 28.738 0.014 0.000 0.900 48 Q HN 0.171 nan 8.270 nan 0.000 0.436 49 A N 0.826 123.645 122.820 -0.001 0.000 1.902 49 A HA -0.219 4.101 4.320 0.000 0.000 0.217 49 A C 1.984 179.565 177.584 -0.006 0.000 1.181 49 A CA 1.773 53.798 52.037 -0.019 0.000 0.623 49 A CB -0.505 18.480 19.000 -0.026 0.000 0.818 49 A HN 0.430 nan 8.150 nan 0.000 0.443 50 K N -0.445 119.958 120.400 0.006 0.000 2.044 50 K HA -0.125 4.195 4.320 0.000 0.000 0.210 50 K C 1.836 178.452 176.600 0.027 0.000 1.049 50 K CA 1.623 57.917 56.287 0.012 0.000 0.927 50 K CB -0.507 32.001 32.500 0.014 0.000 0.713 50 K HN 0.311 nan 8.250 nan 0.000 0.443 51 V N 1.787 121.725 119.914 0.040 0.000 2.515 51 V HA -0.209 3.911 4.120 0.000 0.000 0.250 51 V C 2.016 178.169 176.094 0.100 0.000 1.058 51 V CA 1.685 64.022 62.300 0.062 0.000 1.064 51 V CB -0.432 31.433 31.823 0.070 0.000 0.675 51 V HN 0.326 nan 8.190 nan 0.000 0.461 52 E N -0.298 119.969 120.200 0.111 0.000 2.106 52 E HA -0.227 4.123 4.350 0.000 0.000 0.192 52 E C 2.288 178.978 176.600 0.150 0.000 0.984 52 E CA 1.146 57.663 56.400 0.196 0.000 0.806 52 E CB -0.046 29.654 29.700 -0.000 0.000 0.750 52 E HN 0.681 nan 8.360 nan 0.000 0.458 53 E N 1.525 121.751 120.200 0.042 0.000 2.031 53 E HA -0.226 4.124 4.350 0.000 0.000 0.193 53 E C 1.819 178.449 176.600 0.050 0.000 0.994 53 E CA 1.158 57.575 56.400 0.029 0.000 0.800 53 E CB 0.116 29.817 29.700 0.003 0.000 0.752 53 E HN 0.089 nan 8.360 nan 0.000 0.447 54 K N 0.257 120.676 120.400 0.033 0.000 2.063 54 K HA -0.154 4.166 4.320 0.000 0.000 0.208 54 K C 2.231 178.816 176.600 -0.026 0.000 1.048 54 K CA 1.319 57.609 56.287 0.006 0.000 0.928 54 K CB -0.122 32.379 32.500 0.001 0.000 0.713 54 K HN 0.259 nan 8.250 nan 0.000 0.442 55 I N 1.394 121.952 120.570 -0.020 0.000 2.252 55 I HA -0.219 3.951 4.170 0.000 0.000 0.245 55 I C 2.562 178.477 176.117 -0.336 0.000 1.102 55 I CA 1.367 62.527 61.300 -0.234 0.000 1.385 55 I CB -1.008 36.856 38.000 -0.226 0.000 1.064 55 I HN 0.215 nan 8.210 nan 0.000 0.414 56 Q N 1.693 121.564 119.800 0.118 0.000 2.096 56 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 56 Q C 2.004 178.098 176.000 0.157 0.000 0.982 56 Q CA 1.920 57.920 55.803 0.329 0.000 0.850 56 Q CB -0.216 28.749 28.738 0.377 0.000 0.901 56 Q HN 0.517 nan 8.270 nan 0.000 0.422 57 E N -0.997 119.243 120.200 0.067 0.000 2.097 57 E HA -0.188 4.162 4.350 0.000 0.000 0.196 57 E C 1.945 178.570 176.600 0.042 0.000 1.000 57 E CA 1.631 58.056 56.400 0.041 0.000 0.804 57 E CB -0.119 29.584 29.700 0.005 0.000 0.740 57 E HN 0.228 nan 8.360 nan 0.000 0.454 58 V N 0.748 120.648 119.914 -0.024 0.000 2.427 58 V HA -0.214 3.906 4.120 0.000 0.000 0.248 58 V C 1.922 178.138 176.094 0.203 0.000 1.051 58 V CA 1.374 63.687 62.300 0.020 0.000 1.048 58 V CB -0.481 31.264 31.823 -0.130 0.000 0.666 58 V HN 0.167 nan 8.190 nan 0.000 0.456 59 F N 1.061 121.066 119.950 0.091 0.000 2.113 59 F HA -0.118 4.409 4.527 0.000 0.000 0.297 59 F C 2.751 178.636 175.800 0.142 0.000 1.103 59 F CA 1.298 59.336 58.000 0.063 0.000 1.248 59 F CB -1.428 37.570 39.000 -0.004 0.000 0.999 59 F HN 0.071 nan 8.300 nan 0.000 0.475 60 S N 0.010 115.909 115.700 0.332 0.000 2.372 60 S HA -0.239 4.231 4.470 0.000 0.000 0.227 60 S C 2.286 177.026 174.600 0.232 0.000 1.044 60 S CA 1.718 60.060 58.200 0.237 0.000 1.050 60 S CB -0.703 62.591 63.200 0.157 0.000 0.901 60 S HN 0.349 nan 8.310 nan 0.000 0.447 61 S N 0.309 116.119 115.700 0.183 0.000 2.374 61 S HA -0.143 4.327 4.470 0.000 0.000 0.227 61 S C 1.572 176.266 174.600 0.156 0.000 1.037 61 S CA 1.491 59.748 58.200 0.095 0.000 1.024 61 S CB -0.457 62.749 63.200 0.009 0.000 0.861 61 S HN 0.584 nan 8.310 nan 0.000 0.456 62 Y N 1.128 121.519 120.300 0.152 0.000 2.475 62 Y HA 0.175 4.725 4.550 0.000 0.000 0.289 62 Y C 2.258 178.234 175.900 0.126 0.000 1.121 62 Y CA 0.397 58.574 58.100 0.129 0.000 1.257 62 Y CB -0.084 38.424 38.460 0.080 0.000 1.026 62 Y HN 0.127 nan 8.280 nan 0.000 0.555 63 K N -0.100 120.472 120.400 0.288 0.000 2.021 63 K HA -0.149 4.171 4.320 0.000 0.000 0.205 63 K C 1.989 178.727 176.600 0.231 0.000 1.047 63 K CA 1.096 57.502 56.287 0.199 0.000 0.943 63 K CB -0.463 32.138 32.500 0.168 0.000 0.725 63 K HN 0.176 nan 8.250 nan 0.000 0.439 64 F N 1.887 121.892 119.950 0.092 0.000 2.008 64 F HA -0.225 4.303 4.527 0.000 0.000 0.297 64 F C 0.435 176.269 175.800 0.057 0.000 1.156 64 F CA 1.587 59.623 58.000 0.060 0.000 1.191 64 F CB -0.369 38.653 39.000 0.037 0.000 0.955 64 F HN 0.009 nan 8.300 nan 0.000 0.497 65 N N -0.293 118.584 118.700 0.296 0.000 2.421 65 N HA 0.351 5.091 4.740 0.000 0.000 0.285 65 N C -1.783 173.811 175.510 0.140 0.000 1.027 65 N CA -0.131 52.968 53.050 0.083 0.000 0.918 65 N CB 0.817 39.453 38.487 0.249 0.000 1.152 65 N HN 0.544 nan 8.380 nan 0.000 0.485 66 H N 0.796 119.834 119.070 -0.053 0.000 3.136 66 H HA 0.308 4.864 4.556 0.000 0.000 0.313 66 H C -1.524 173.780 175.328 -0.040 0.000 1.103 66 H CA -0.641 55.390 56.048 -0.028 0.000 1.437 66 H CB -0.147 29.618 29.762 0.005 0.000 2.063 66 H HN 0.464 nan 8.280 nan 0.000 0.495 67 L N 3.039 124.219 121.223 -0.071 0.000 3.481 67 L HA 0.285 4.625 4.340 0.000 0.000 0.338 67 L C -0.484 176.396 176.870 0.017 0.000 1.039 67 L CA 0.545 55.322 54.840 -0.105 0.000 1.313 67 L CB 1.282 43.277 42.059 -0.107 0.000 2.046 67 L HN 0.589 nan 8.230 nan 0.000 0.609 68 V N -2.778 117.168 119.914 0.053 0.000 2.769 68 V HA 0.672 4.792 4.120 0.000 0.000 0.312 68 V C -2.585 173.562 176.094 0.087 0.000 1.061 68 V CA -2.203 60.129 62.300 0.054 0.000 0.931 68 V CB 1.062 32.900 31.823 0.025 0.000 1.010 68 V HN -0.063 nan 8.190 nan 0.000 0.433 69 P HA 0.300 nan 4.420 nan 0.000 0.260 69 P C 0.071 177.415 177.300 0.072 0.000 1.185 69 P CA 0.233 63.372 63.100 0.065 0.000 0.763 69 P CB 0.322 32.045 31.700 0.039 0.000 0.776 70 R N 2.148 122.712 120.500 0.106 0.000 2.308 70 R HA 0.213 4.553 4.340 0.000 0.000 0.202 70 R C 0.359 176.799 176.300 0.233 0.000 0.898 70 R CA -0.115 56.077 56.100 0.153 0.000 1.046 70 R CB 0.262 30.655 30.300 0.155 0.000 1.026 70 R HN 0.426 nan 8.270 nan 0.000 0.512 71 L N 2.519 123.830 121.223 0.148 0.000 2.356 71 L HA 0.265 4.605 4.340 0.000 0.000 0.282 71 L C -0.861 176.041 176.870 0.053 0.000 1.132 71 L CA -0.233 54.656 54.840 0.083 0.000 0.923 71 L CB 0.984 43.042 42.059 -0.002 0.000 1.278 71 L HN -0.156 nan 8.230 nan 0.000 0.436 72 V N 3.918 123.871 119.914 0.065 0.000 2.709 72 V HA 0.302 4.422 4.120 0.000 0.000 0.308 72 V C -0.224 175.890 176.094 0.032 0.000 1.062 72 V CA -0.757 61.565 62.300 0.036 0.000 0.901 72 V CB 2.757 34.598 31.823 0.029 0.000 1.003 72 V HN 0.394 nan 8.190 nan 0.000 0.425 73 L N 4.661 125.901 121.223 0.029 0.000 2.278 73 L HA 0.399 4.739 4.340 0.000 0.000 0.287 73 L C 0.807 177.684 176.870 0.011 0.000 1.072 73 L CA 0.313 55.189 54.840 0.060 0.000 0.819 73 L CB 1.004 43.107 42.059 0.073 0.000 1.176 73 L HN 0.625 nan 8.230 nan 0.000 0.435 74 Q N 5.352 125.106 119.800 -0.077 0.000 2.892 74 Q HA -0.006 4.334 4.340 0.000 0.000 0.237 74 Q C 1.151 176.925 176.000 -0.376 0.000 1.157 74 Q CA 0.255 55.890 55.803 -0.280 0.000 0.939 74 Q CB -0.512 27.975 28.738 -0.418 0.000 1.715 74 Q HN 0.706 nan 8.270 nan 0.000 0.451 75 R N 0.442 120.883 120.500 -0.098 0.000 2.134 75 R HA -0.273 4.067 4.340 0.000 0.000 0.248 75 R C 1.841 178.102 176.300 -0.065 0.000 1.143 75 R CA 1.902 57.997 56.100 -0.010 0.000 0.957 75 R CB -0.103 30.185 30.300 -0.020 0.000 0.867 75 R HN 0.339 nan 8.270 nan 0.000 0.441 76 E N 1.005 121.118 120.200 -0.146 0.000 2.049 76 E HA -0.196 4.154 4.350 0.000 0.000 0.198 76 E C 1.776 178.124 176.600 -0.420 0.000 1.007 76 E CA 1.633 57.895 56.400 -0.229 0.000 0.809 76 E CB 0.070 29.668 29.700 -0.169 0.000 0.749 76 E HN 0.054 nan 8.360 nan 0.000 0.450 77 K N -0.392 119.816 120.400 -0.320 0.000 2.148 77 K HA -0.112 4.208 4.320 0.000 0.000 0.204 77 K C 2.148 178.702 176.600 -0.077 0.000 1.050 77 K CA 1.185 57.335 56.287 -0.229 0.000 0.942 77 K CB -0.419 31.940 32.500 -0.235 0.000 0.724 77 K HN 0.385 nan 8.250 nan 0.000 0.446 78 H N -0.332 118.735 119.070 -0.005 0.000 2.357 78 H HA -0.095 4.461 4.556 0.000 0.000 0.301 78 H C 1.918 177.345 175.328 0.165 0.000 1.082 78 H CA 0.958 57.054 56.048 0.080 0.000 1.342 78 H CB -0.626 29.166 29.762 0.051 0.000 1.389 78 H HN 0.132 nan 8.280 nan 0.000 0.511 79 F N 1.827 121.820 119.950 0.071 0.000 2.171 79 F HA -0.208 4.319 4.527 0.000 0.000 0.300 79 F C 2.345 178.225 175.800 0.134 0.000 1.090 79 F CA 1.353 59.381 58.000 0.046 0.000 1.293 79 F CB -0.250 38.722 39.000 -0.048 0.000 1.013 79 F HN 0.124 nan 8.300 nan 0.000 0.486 80 H N -1.394 117.667 119.070 -0.016 0.000 2.321 80 H HA -0.174 4.383 4.556 0.000 0.000 0.300 80 H C 2.047 177.366 175.328 -0.016 0.000 1.087 80 H CA 1.848 57.825 56.048 -0.119 0.000 1.319 80 H CB -1.381 28.390 29.762 0.016 0.000 1.379 80 H HN 0.407 nan 8.280 nan 0.000 0.501 81 Y N 1.462 121.822 120.300 0.101 0.000 2.128 81 Y HA -0.211 4.339 4.550 0.000 0.000 0.284 81 Y C 2.430 178.449 175.900 0.198 0.000 1.154 81 Y CA 1.315 59.482 58.100 0.111 0.000 1.149 81 Y CB -0.731 37.770 38.460 0.068 0.000 0.976 81 Y HN 0.043 nan 8.280 nan 0.000 0.505 82 L N 0.172 121.494 121.223 0.164 0.000 1.994 82 L HA -0.230 4.110 4.340 0.000 0.000 0.208 82 L C 2.648 179.445 176.870 -0.123 0.000 1.071 82 L CA 1.987 56.859 54.840 0.052 0.000 0.745 82 L CB -0.709 41.408 42.059 0.098 0.000 0.892 82 L HN 0.102 nan 8.230 nan 0.000 0.431 83 K N 0.259 120.504 120.400 -0.258 0.000 2.103 83 K HA -0.246 4.075 4.320 0.000 0.000 0.207 83 K C 2.358 178.835 176.600 -0.206 0.000 1.048 83 K CA 1.472 57.568 56.287 -0.319 0.000 0.930 83 K CB 0.001 32.133 32.500 -0.614 0.000 0.716 83 K HN 0.142 nan 8.250 nan 0.000 0.444 84 R N -0.348 120.064 120.500 -0.147 0.000 2.057 84 R HA -0.075 4.265 4.340 0.000 0.000 0.229 84 R C 2.358 178.564 176.300 -0.156 0.000 1.136 84 R CA 1.583 57.620 56.100 -0.104 0.000 0.952 84 R CB -0.629 29.660 30.300 -0.018 0.000 0.848 84 R HN 0.346 nan 8.270 nan 0.000 0.430 85 G N 1.464 110.148 108.800 -0.194 0.000 2.469 85 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 85 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 85 G C 1.258 175.821 174.900 -0.562 0.000 1.136 85 G CA 0.733 45.538 45.100 -0.493 0.000 0.759 85 G HN 0.327 nan 8.290 nan 0.000 0.562 86 L N -0.476 120.495 121.223 -0.420 0.000 2.549 86 L HA 0.194 4.534 4.340 0.000 0.000 0.230 86 L C 2.318 179.024 176.870 -0.273 0.000 1.162 86 L CA 1.506 56.148 54.840 -0.330 0.000 0.834 86 L CB -0.135 41.790 42.059 -0.223 0.000 0.947 86 L HN 0.185 nan 8.230 nan 0.000 0.452 87 R N -1.625 118.724 120.500 -0.251 0.000 2.302 87 R HA 0.269 4.609 4.340 0.000 0.000 0.187 87 R C 0.106 176.289 176.300 -0.196 0.000 0.904 87 R CA 0.194 56.173 56.100 -0.201 0.000 1.105 87 R CB 0.315 30.527 30.300 -0.147 0.000 1.239 87 R HN 0.337 nan 8.270 nan 0.000 0.620 88 Q N 0.665 120.357 119.800 -0.181 0.000 2.315 88 Q HA 0.385 4.725 4.340 0.000 0.000 0.273 88 Q C -1.707 174.213 176.000 -0.133 0.000 1.053 88 Q CA -0.611 55.111 55.803 -0.136 0.000 0.817 88 Q CB 1.886 30.574 28.738 -0.083 0.000 1.326 88 Q HN 0.142 nan 8.270 nan 0.000 0.423 89 L N 1.930 123.092 121.223 -0.101 0.000 2.370 89 L HA 0.538 4.878 4.340 0.000 0.000 0.266 89 L C 0.520 177.440 176.870 0.083 0.000 1.002 89 L CA -0.895 53.914 54.840 -0.052 0.000 0.818 89 L CB 2.191 44.159 42.059 -0.151 0.000 1.325 89 L HN 0.817 nan 8.230 nan 0.000 0.418 90 T N -3.365 111.305 114.554 0.193 0.000 2.788 90 T HA 0.067 4.417 4.350 0.000 0.000 0.287 90 T C 0.773 175.597 174.700 0.208 0.000 1.007 90 T CA -0.341 61.868 62.100 0.181 0.000 1.005 90 T CB 0.837 69.817 68.868 0.187 0.000 1.012 90 T HN 0.742 nan 8.240 nan 0.000 0.530 91 D N -0.068 120.413 120.400 0.135 0.000 2.392 91 D HA 0.012 4.652 4.640 0.000 0.000 0.228 91 D C 1.776 178.140 176.300 0.106 0.000 1.003 91 D CA 0.777 54.845 54.000 0.114 0.000 0.917 91 D CB -0.660 40.184 40.800 0.073 0.000 0.890 91 D HN 0.664 nan 8.370 nan 0.000 0.532 92 A N -0.431 122.465 122.820 0.127 0.000 2.066 92 A HA -0.090 4.230 4.320 0.000 0.000 0.218 92 A C 1.292 178.808 177.584 -0.114 0.000 1.157 92 A CA 0.508 52.555 52.037 0.017 0.000 0.670 92 A CB -0.828 18.188 19.000 0.025 0.000 0.804 92 A HN 0.325 nan 8.150 nan 0.000 0.453 93 Y N 0.185 120.554 120.300 0.117 0.000 2.471 93 Y HA 0.110 4.660 4.550 0.000 0.000 0.286 93 Y C 1.923 177.885 175.900 0.104 0.000 1.188 93 Y CA 0.242 58.423 58.100 0.135 0.000 1.286 93 Y CB -0.089 38.463 38.460 0.153 0.000 1.072 93 Y HN 0.441 nan 8.280 nan 0.000 0.517 94 E N -0.387 119.894 120.200 0.135 0.000 2.160 94 E HA -0.247 4.103 4.350 0.000 0.000 0.195 94 E C 2.064 178.718 176.600 0.091 0.000 0.991 94 E CA 1.520 57.982 56.400 0.104 0.000 0.810 94 E CB -0.223 29.518 29.700 0.070 0.000 0.742 94 E HN 0.646 nan 8.360 nan 0.000 0.466 95 C N -0.449 118.890 119.300 0.065 0.000 2.466 95 C HA 0.078 4.538 4.460 0.000 0.000 0.283 95 C C 1.560 176.611 174.990 0.101 0.000 1.472 95 C CA -0.141 58.911 59.018 0.058 0.000 1.765 95 C CB -0.980 26.771 27.740 0.017 0.000 1.724 95 C HN 0.222 nan 8.230 nan 0.000 0.560 96 L N 0.654 121.973 121.223 0.162 0.000 3.202 96 L HA 0.235 4.575 4.340 0.000 0.000 0.278 96 L C 1.400 178.388 176.870 0.197 0.000 1.268 96 L CA 0.122 55.097 54.840 0.225 0.000 1.034 96 L CB -0.241 42.048 42.059 0.382 0.000 1.407 96 L HN 0.157 nan 8.230 nan 0.000 0.581 97 D N 1.649 122.136 120.400 0.145 0.000 2.264 97 D HA -0.111 4.529 4.640 0.000 0.000 0.208 97 D C 1.650 178.011 176.300 0.103 0.000 0.966 97 D CA 1.053 55.124 54.000 0.118 0.000 0.864 97 D CB 0.530 41.383 40.800 0.088 0.000 0.933 97 D HN 0.298 nan 8.370 nan 0.000 0.499 98 A N -0.893 121.983 122.820 0.092 0.000 2.507 98 A HA 0.403 4.723 4.320 0.000 0.000 0.270 98 A C 0.849 178.484 177.584 0.085 0.000 1.318 98 A CA -0.226 51.848 52.037 0.062 0.000 0.924 98 A CB 0.334 19.353 19.000 0.030 0.000 1.061 98 A HN 0.040 nan 8.150 nan 0.000 0.516 99 S N -0.918 114.866 115.700 0.139 0.000 3.073 99 S HA 0.163 4.633 4.470 0.000 0.000 0.252 99 S C 1.221 175.917 174.600 0.160 0.000 0.953 99 S CA -0.484 57.838 58.200 0.202 0.000 1.105 99 S CB 0.043 63.401 63.200 0.264 0.000 1.070 99 S HN 0.611 nan 8.310 nan 0.000 0.574 100 R N 1.893 122.482 120.500 0.148 0.000 2.096 100 R HA -0.054 4.286 4.340 0.000 0.000 0.235 100 R C -1.140 175.246 176.300 0.142 0.000 1.127 100 R CA 1.412 57.619 56.100 0.178 0.000 0.968 100 R CB -1.208 29.288 30.300 0.327 0.000 0.861 100 R HN 0.278 nan 8.270 nan 0.000 0.440 101 P HA -0.138 nan 4.420 nan 0.000 0.223 101 P C 0.352 177.544 177.300 -0.179 0.000 1.151 101 P CA 0.963 64.002 63.100 -0.102 0.000 0.787 101 P CB -0.034 31.500 31.700 -0.277 0.000 0.788 102 W N -0.682 120.421 121.300 -0.328 0.000 2.379 102 W HA -0.084 4.576 4.660 0.000 0.000 0.307 102 W C 2.053 178.054 176.519 -0.863 0.000 1.200 102 W CA 0.291 57.190 57.345 -0.743 0.000 1.297 102 W CB -0.747 28.064 29.460 -1.080 0.000 1.140 102 W HN -0.150 nan 8.180 nan 0.000 0.507 103 L N -0.775 120.307 121.223 -0.234 0.000 2.043 103 L HA -0.322 4.018 4.340 0.000 0.000 0.212 103 L C 2.376 179.212 176.870 -0.058 0.000 1.075 103 L CA 1.254 56.089 54.840 -0.008 0.000 0.752 103 L CB -1.042 40.990 42.059 -0.045 0.000 0.891 103 L HN 0.114 nan 8.230 nan 0.000 0.432 104 C N -1.474 117.788 119.300 -0.065 0.000 2.432 104 C HA -0.226 4.234 4.460 0.000 0.000 0.277 104 C C 2.736 177.724 174.990 -0.003 0.000 1.249 104 C CA 0.699 59.686 59.018 -0.052 0.000 1.725 104 C CB -0.809 26.925 27.740 -0.009 0.000 2.028 104 C HN 0.569 nan 8.230 nan 0.000 0.477 105 Y N 0.490 120.731 120.300 -0.098 0.000 2.133 105 Y HA -0.146 4.404 4.550 0.000 0.000 0.287 105 Y C 2.323 178.310 175.900 0.145 0.000 1.134 105 Y CA 1.361 59.437 58.100 -0.040 0.000 1.133 105 Y CB -0.727 37.669 38.460 -0.106 0.000 0.987 105 Y HN 0.342 nan 8.280 nan 0.000 0.502 106 W N 0.872 122.127 121.300 -0.074 0.000 2.302 106 W HA -0.289 4.371 4.660 0.000 0.000 0.320 106 W C 2.498 178.893 176.519 -0.208 0.000 1.241 106 W CA 1.814 59.036 57.345 -0.205 0.000 1.264 106 W CB -1.404 28.110 29.460 0.090 0.000 1.154 106 W HN 0.207 nan 8.180 nan 0.000 0.483 107 I N -0.270 120.355 120.570 0.093 0.000 2.142 107 I HA -0.320 3.850 4.170 0.000 0.000 0.240 107 I C 2.446 178.535 176.117 -0.047 0.000 1.078 107 I CA 1.315 62.604 61.300 -0.019 0.000 1.343 107 I CB -0.964 36.925 38.000 -0.185 0.000 1.046 107 I HN -0.162 nan 8.210 nan 0.000 0.405 108 L N -0.169 121.020 121.223 -0.058 0.000 2.191 108 L HA -0.247 4.093 4.340 0.000 0.000 0.212 108 L C 2.653 179.504 176.870 -0.032 0.000 1.103 108 L CA 1.166 55.983 54.840 -0.037 0.000 0.769 108 L CB -0.762 41.284 42.059 -0.021 0.000 0.908 108 L HN 0.349 nan 8.230 nan 0.000 0.438 109 H N -0.567 118.361 119.070 -0.237 0.000 2.372 109 H HA -0.053 4.503 4.556 0.000 0.000 0.301 109 H C 2.387 177.596 175.328 -0.199 0.000 1.065 109 H CA 1.498 57.380 56.048 -0.278 0.000 1.364 109 H CB 0.114 29.512 29.762 -0.608 0.000 1.406 109 H HN 0.084 nan 8.280 nan 0.000 0.521 110 S N 0.241 115.780 115.700 -0.268 0.000 2.359 110 S HA -0.123 4.347 4.470 0.000 0.000 0.224 110 S C 2.340 176.854 174.600 -0.144 0.000 1.035 110 S CA 1.322 59.373 58.200 -0.248 0.000 1.018 110 S CB -0.359 62.772 63.200 -0.114 0.000 0.876 110 S HN 0.358 nan 8.310 nan 0.000 0.448 111 L N 1.294 122.485 121.223 -0.053 0.000 2.042 111 L HA -0.181 4.159 4.340 0.000 0.000 0.210 111 L C 2.786 179.639 176.870 -0.027 0.000 1.076 111 L CA 1.742 56.596 54.840 0.023 0.000 0.749 111 L CB -0.643 41.456 42.059 0.068 0.000 0.893 111 L HN 0.473 nan 8.230 nan 0.000 0.432 112 E N 0.829 120.990 120.200 -0.065 0.000 2.058 112 E HA -0.245 4.105 4.350 0.000 0.000 0.194 112 E C 2.338 178.879 176.600 -0.099 0.000 0.997 112 E CA 1.293 57.658 56.400 -0.058 0.000 0.801 112 E CB -0.163 29.531 29.700 -0.011 0.000 0.746 112 E HN 0.466 nan 8.360 nan 0.000 0.450 113 L N 0.561 121.658 121.223 -0.210 0.000 2.046 113 L HA -0.162 4.178 4.340 0.000 0.000 0.208 113 L C 2.530 179.346 176.870 -0.090 0.000 1.077 113 L CA 0.903 55.629 54.840 -0.189 0.000 0.747 113 L CB -0.265 41.598 42.059 -0.327 0.000 0.896 113 L HN 0.279 nan 8.230 nan 0.000 0.432 114 L N -0.544 120.634 121.223 -0.076 0.000 2.622 114 L HA -0.090 4.250 4.340 0.000 0.000 0.233 114 L C 0.500 177.344 176.870 -0.044 0.000 1.156 114 L CA 0.148 54.969 54.840 -0.033 0.000 0.866 114 L CB -0.432 41.633 42.059 0.010 0.000 0.980 114 L HN 0.317 nan 8.230 nan 0.000 0.448 115 D N 0.772 121.144 120.400 -0.046 0.000 2.870 115 D HA -0.164 4.476 4.640 0.000 0.000 0.228 115 D C 0.020 176.278 176.300 -0.070 0.000 1.147 115 D CA 0.687 54.658 54.000 -0.048 0.000 0.757 115 D CB -0.322 40.453 40.800 -0.043 0.000 1.091 115 D HN 0.304 nan 8.370 nan 0.000 0.429 116 E N 1.111 121.274 120.200 -0.062 0.000 2.146 116 E HA 0.321 4.671 4.350 0.000 0.000 0.282 116 E C -1.857 174.733 176.600 -0.017 0.000 0.989 116 E CA -1.443 54.907 56.400 -0.083 0.000 0.799 116 E CB 1.175 30.855 29.700 -0.033 0.000 1.088 116 E HN 0.300 nan 8.360 nan 0.000 0.397 117 P HA 0.214 nan 4.420 nan 0.000 0.272 117 P C -0.282 177.033 177.300 0.025 0.000 1.223 117 P CA -0.408 62.689 63.100 -0.006 0.000 0.784 117 P CB 0.859 32.549 31.700 -0.017 0.000 0.923 118 I N 3.782 124.360 120.570 0.013 0.000 2.304 118 I HA 0.268 4.438 4.170 0.000 0.000 0.291 118 I C -1.897 174.223 176.117 0.004 0.000 1.018 118 I CA -2.193 59.117 61.300 0.017 0.000 1.260 118 I CB 0.335 38.334 38.000 -0.002 0.000 1.390 118 I HN 0.215 nan 8.210 nan 0.000 0.475 119 P HA 0.073 nan 4.420 nan 0.000 0.267 119 P C 0.321 177.615 177.300 -0.011 0.000 1.200 119 P CA -0.233 62.871 63.100 0.005 0.000 0.772 119 P CB 0.491 32.200 31.700 0.016 0.000 0.855 120 Q N 1.177 120.967 119.800 -0.016 0.000 2.152 120 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 120 Q C 1.743 177.729 176.000 -0.023 0.000 0.985 120 Q CA 1.335 57.123 55.803 -0.025 0.000 0.863 120 Q CB -0.356 28.368 28.738 -0.024 0.000 0.904 120 Q HN 0.533 nan 8.270 nan 0.000 0.422 121 I N 0.365 120.925 120.570 -0.017 0.000 2.202 121 I HA -0.231 3.939 4.170 0.000 0.000 0.242 121 I C 2.289 178.393 176.117 -0.023 0.000 1.091 121 I CA 1.053 62.342 61.300 -0.018 0.000 1.368 121 I CB -0.394 37.597 38.000 -0.015 0.000 1.058 121 I HN 0.095 nan 8.210 nan 0.000 0.410 122 V N 0.126 120.025 119.914 -0.025 0.000 2.427 122 V HA -0.157 3.963 4.120 0.000 0.000 0.248 122 V C 2.721 178.796 176.094 -0.032 0.000 1.051 122 V CA 1.424 63.703 62.300 -0.034 0.000 1.048 122 V CB -1.615 30.184 31.823 -0.040 0.000 0.666 122 V HN 0.381 nan 8.190 nan 0.000 0.456 123 A N 1.032 123.833 122.820 -0.032 0.000 1.873 123 A HA -0.262 4.058 4.320 0.000 0.000 0.218 123 A C 2.404 179.966 177.584 -0.036 0.000 1.193 123 A CA 3.006 55.018 52.037 -0.041 0.000 0.629 123 A CB -1.459 17.510 19.000 -0.051 0.000 0.826 123 A HN 0.506 nan 8.150 nan 0.000 0.447 124 T N -0.020 114.516 114.554 -0.030 0.000 2.833 124 T HA -0.110 4.240 4.350 0.000 0.000 0.269 124 T C 1.420 176.118 174.700 -0.003 0.000 1.054 124 T CA 1.531 63.619 62.100 -0.020 0.000 1.135 124 T CB -0.401 68.456 68.868 -0.019 0.000 0.869 124 T HN 0.482 nan 8.240 nan 0.000 0.466 125 D N 0.595 120.992 120.400 -0.004 0.000 2.183 125 D HA -0.007 4.633 4.640 0.000 0.000 0.203 125 D C 2.222 178.548 176.300 0.043 0.000 0.969 125 D CA 0.478 54.484 54.000 0.010 0.000 0.842 125 D CB -0.349 40.441 40.800 -0.017 0.000 0.957 125 D HN 0.219 nan 8.370 nan 0.000 0.484 126 V N 0.694 120.622 119.914 0.022 0.000 2.270 126 V HA -0.259 3.861 4.120 0.000 0.000 0.245 126 V C 2.716 178.853 176.094 0.072 0.000 1.043 126 V CA 1.237 63.569 62.300 0.053 0.000 1.014 126 V CB -0.540 31.282 31.823 -0.001 0.000 0.645 126 V HN 0.274 nan 8.190 nan 0.000 0.447 127 C N -0.279 119.034 119.300 0.021 0.000 2.376 127 C HA -0.272 4.188 4.460 0.000 0.000 0.275 127 C C 2.883 177.897 174.990 0.040 0.000 1.200 127 C CA 1.549 60.575 59.018 0.012 0.000 1.756 127 C CB -1.238 26.497 27.740 -0.008 0.000 2.050 127 C HN 0.618 nan 8.230 nan 0.000 0.460 128 Q N -0.889 118.942 119.800 0.053 0.000 2.124 128 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 128 Q C 2.025 178.082 176.000 0.095 0.000 0.977 128 Q CA 1.677 57.517 55.803 0.061 0.000 0.850 128 Q CB -0.375 28.396 28.738 0.054 0.000 0.901 128 Q HN 0.785 nan 8.270 nan 0.000 0.429 129 F N 1.257 121.197 119.950 -0.017 0.000 2.113 129 F HA -0.149 4.378 4.527 0.000 0.000 0.297 129 F C 1.716 177.518 175.800 0.004 0.000 1.103 129 F CA 1.211 59.201 58.000 -0.017 0.000 1.248 129 F CB -0.289 38.687 39.000 -0.040 0.000 0.999 129 F HN -0.052 nan 8.300 nan 0.000 0.475 130 L N 0.166 121.296 121.223 -0.154 0.000 2.079 130 L HA -0.209 4.131 4.340 0.000 0.000 0.210 130 L C 2.456 179.320 176.870 -0.010 0.000 1.081 130 L CA 1.754 56.461 54.840 -0.223 0.000 0.752 130 L CB -0.818 41.143 42.059 -0.165 0.000 0.896 130 L HN 0.211 nan 8.230 nan 0.000 0.433 131 E N 1.005 121.215 120.200 0.017 0.000 2.085 131 E HA -0.218 4.132 4.350 0.000 0.000 0.194 131 E C 2.136 178.709 176.600 -0.044 0.000 0.994 131 E CA 1.443 57.866 56.400 0.038 0.000 0.801 131 E CB -0.313 29.401 29.700 0.023 0.000 0.743 131 E HN 0.415 nan 8.360 nan 0.000 0.453 132 L N -0.350 120.810 121.223 -0.105 0.000 2.265 132 L HA -0.155 4.185 4.340 0.000 0.000 0.215 132 L C 2.161 178.918 176.870 -0.188 0.000 1.117 132 L CA 0.735 55.496 54.840 -0.131 0.000 0.782 132 L CB -0.273 41.717 42.059 -0.115 0.000 0.914 132 L HN 0.327 nan 8.230 nan 0.000 0.441 133 C N -0.961 118.190 119.300 -0.249 0.000 2.594 133 C HA -0.001 4.459 4.460 0.000 0.000 0.265 133 C C 1.495 176.446 174.990 -0.065 0.000 1.351 133 C CA -0.403 58.502 59.018 -0.188 0.000 1.744 133 C CB -0.773 26.797 27.740 -0.284 0.000 1.890 133 C HN 0.393 nan 8.230 nan 0.000 0.551 134 Q N 1.606 121.323 119.800 -0.138 0.000 2.293 134 Q HA 0.176 4.516 4.340 0.000 0.000 0.263 134 Q C 0.284 176.075 176.000 -0.349 0.000 1.002 134 Q CA 0.065 55.563 55.803 -0.508 0.000 0.910 134 Q CB 0.631 28.978 28.738 -0.651 0.000 1.185 134 Q HN 0.427 nan 8.270 nan 0.000 0.401 135 S N 4.571 120.049 115.700 -0.370 0.000 2.562 135 S HA 0.142 4.612 4.470 0.000 0.000 0.281 135 S C -1.486 172.985 174.600 -0.215 0.000 1.333 135 S CA -1.256 56.799 58.200 -0.241 0.000 1.052 135 S CB 0.649 63.696 63.200 -0.256 0.000 0.884 135 S HN 0.625 nan 8.310 nan 0.000 0.506 136 P HA 0.010 nan 4.420 nan 0.000 0.226 136 P C -0.060 177.187 177.300 -0.090 0.000 1.153 136 P CA 0.842 63.881 63.100 -0.101 0.000 0.777 136 P CB 0.067 31.730 31.700 -0.063 0.000 0.794 137 D N 0.072 120.417 120.400 -0.091 0.000 2.491 137 D HA 0.312 4.952 4.640 0.000 0.000 0.228 137 D C 0.914 177.179 176.300 -0.059 0.000 1.183 137 D CA 0.308 54.276 54.000 -0.053 0.000 0.827 137 D CB 0.352 41.142 40.800 -0.018 0.000 0.989 137 D HN 0.132 nan 8.370 nan 0.000 0.494 138 G N -0.045 108.659 108.800 -0.160 0.000 2.712 138 G HA2 0.355 4.315 3.960 0.000 0.000 0.686 138 G HA3 0.355 4.315 3.960 0.000 0.000 0.686 138 G C 0.257 174.843 174.900 -0.524 0.000 1.181 138 G CA -0.461 44.517 45.100 -0.204 0.000 0.762 138 G HN 0.651 nan 8.290 nan 0.000 0.641 139 G N -0.651 107.833 108.800 -0.527 0.000 2.796 139 G HA2 0.365 4.325 3.960 0.000 0.000 0.571 139 G HA3 0.365 4.325 3.960 0.000 0.000 0.571 139 G C -0.499 173.984 174.900 -0.694 0.000 1.370 139 G CA 0.124 44.846 45.100 -0.630 0.000 0.856 139 G HN 1.798 nan 8.290 nan 0.000 0.538 140 F N 0.288 120.079 119.950 -0.265 0.000 2.551 140 F HA 0.697 5.224 4.527 0.000 0.000 0.316 140 F C 1.047 176.755 175.800 -0.152 0.000 1.089 140 F CA 0.207 58.085 58.000 -0.204 0.000 0.915 140 F CB 2.232 41.115 39.000 -0.195 0.000 1.186 140 F HN 0.832 nan 8.300 nan 0.000 0.456 141 G N 0.117 108.937 108.800 0.032 0.000 2.531 141 G HA2 0.436 4.396 3.960 0.000 0.000 0.313 141 G HA3 0.436 4.396 3.960 0.000 0.000 0.313 141 G C 0.875 175.776 174.900 0.003 0.000 1.238 141 G CA -0.381 44.735 45.100 0.026 0.000 0.994 141 G HN 0.896 nan 8.290 nan 0.000 0.493 142 G N -1.696 107.106 108.800 0.003 0.000 2.559 142 G HA2 0.422 4.382 3.960 0.000 0.000 0.216 142 G HA3 0.422 4.382 3.960 0.000 0.000 0.216 142 G C 0.710 175.632 174.900 0.038 0.000 1.126 142 G CA 1.160 46.266 45.100 0.011 0.000 0.778 142 G HN 1.250 nan 8.290 nan 0.000 0.543 143 G N -1.520 107.282 108.800 0.005 0.000 2.495 143 G HA2 0.490 4.450 3.960 0.000 0.000 0.294 143 G HA3 0.490 4.450 3.960 0.000 0.000 0.294 143 G C -3.427 171.444 174.900 -0.047 0.000 1.397 143 G CA -0.966 44.152 45.100 0.029 0.000 0.790 143 G HN -0.100 nan 8.290 nan 0.000 0.486 144 P HA 0.334 nan 4.420 nan 0.000 0.267 144 P C 0.939 178.213 177.300 -0.043 0.000 1.205 144 P CA 1.880 64.947 63.100 -0.055 0.000 0.765 144 P CB 1.037 32.737 31.700 -0.000 0.000 0.828 145 G N 1.639 110.403 108.800 -0.059 0.000 2.162 145 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 145 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 145 G C 0.100 174.940 174.900 -0.100 0.000 0.976 145 G CA -0.215 44.847 45.100 -0.063 0.000 0.655 145 G HN 0.559 nan 8.290 nan 0.000 0.533 146 Q N -0.772 118.971 119.800 -0.094 0.000 2.227 146 Q HA 0.561 4.901 4.340 0.000 0.000 0.245 146 Q C -0.016 175.954 176.000 -0.050 0.000 0.926 146 Q CA -0.978 54.744 55.803 -0.135 0.000 0.895 146 Q CB 0.767 29.459 28.738 -0.077 0.000 1.230 146 Q HN 0.306 nan 8.270 nan 0.000 0.450 147 Y N 1.893 122.191 120.300 -0.003 0.000 2.550 147 Y HA 0.036 4.586 4.550 0.000 0.000 0.343 147 Y C -1.733 174.166 175.900 -0.002 0.000 1.245 147 Y CA -1.909 56.193 58.100 0.004 0.000 1.462 147 Y CB -0.553 37.937 38.460 0.050 0.000 1.340 147 Y HN 0.446 nan 8.280 nan 0.000 0.604 148 P HA 0.078 nan 4.420 nan 0.000 0.272 148 P C -0.670 176.760 177.300 0.217 0.000 1.240 148 P CA 0.383 63.448 63.100 -0.058 0.000 0.791 148 P CB 1.214 32.562 31.700 -0.586 0.000 0.978 149 H N 0.774 119.927 119.070 0.138 0.000 3.085 149 H HA 0.185 4.742 4.556 0.000 0.000 0.356 149 H C 0.538 176.030 175.328 0.274 0.000 1.178 149 H CA -0.545 55.671 56.048 0.280 0.000 1.214 149 H CB 1.403 31.264 29.762 0.165 0.000 1.881 149 H HN 0.193 nan 8.280 nan 0.000 0.538 150 L N 2.614 124.080 121.223 0.405 0.000 2.131 150 L HA -0.126 4.214 4.340 0.000 0.000 0.210 150 L C 2.496 179.558 176.870 0.319 0.000 1.092 150 L CA 1.521 56.558 54.840 0.328 0.000 0.759 150 L CB -0.409 41.746 42.059 0.159 0.000 0.903 150 L HN 0.705 nan 8.230 nan 0.000 0.435 151 A N 0.881 124.010 122.820 0.514 0.000 1.845 151 A HA -0.116 4.204 4.320 0.000 0.000 0.215 151 A C -0.194 177.282 177.584 -0.180 0.000 1.195 151 A CA 1.658 53.897 52.037 0.337 0.000 0.616 151 A CB -1.908 17.455 19.000 0.606 0.000 0.832 151 A HN 0.281 nan 8.150 nan 0.000 0.443 152 P HA -0.079 nan 4.420 nan 0.000 0.222 152 P C 1.181 178.305 177.300 -0.294 0.000 1.147 152 P CA 1.518 64.377 63.100 -0.401 0.000 0.790 152 P CB -0.329 31.276 31.700 -0.158 0.000 0.780 153 T N -0.859 113.668 114.554 -0.045 0.000 2.812 153 T HA -0.170 4.181 4.350 0.000 0.000 0.264 153 T C 1.688 176.317 174.700 -0.117 0.000 1.042 153 T CA 1.089 63.230 62.100 0.068 0.000 1.140 153 T CB -1.025 67.983 68.868 0.234 0.000 0.870 153 T HN 0.071 nan 8.240 nan 0.000 0.445 154 Y N 2.398 122.538 120.300 -0.266 0.000 2.097 154 Y HA -0.069 4.481 4.550 0.000 0.000 0.282 154 Y C 2.502 178.083 175.900 -0.533 0.000 1.152 154 Y CA 1.065 58.962 58.100 -0.339 0.000 1.136 154 Y CB -0.892 37.398 38.460 -0.283 0.000 0.975 154 Y HN 0.158 nan 8.280 nan 0.000 0.498 155 A N 0.972 123.203 122.820 -0.981 0.000 1.865 155 A HA -0.145 4.175 4.320 0.000 0.000 0.217 155 A C 2.484 179.634 177.584 -0.723 0.000 1.191 155 A CA 2.345 53.719 52.037 -1.106 0.000 0.623 155 A CB -1.674 16.552 19.000 -1.291 0.000 0.826 155 A HN 0.693 nan 8.150 nan 0.000 0.444 156 A N -0.730 121.676 122.820 -0.691 0.000 1.908 156 A HA -0.027 4.293 4.320 0.000 0.000 0.218 156 A C 2.243 179.432 177.584 -0.659 0.000 1.181 156 A CA 1.948 53.525 52.037 -0.767 0.000 0.627 156 A CB -0.908 17.271 19.000 -1.369 0.000 0.818 156 A HN 0.423 nan 8.150 nan 0.000 0.445 157 V N 0.463 120.041 119.914 -0.560 0.000 2.379 157 V HA -0.207 3.913 4.120 0.000 0.000 0.245 157 V C 2.351 178.272 176.094 -0.288 0.000 1.044 157 V CA 2.068 64.171 62.300 -0.329 0.000 1.036 157 V CB -0.985 30.710 31.823 -0.213 0.000 0.664 157 V HN 0.535 nan 8.190 nan 0.000 0.453 158 N N 0.630 119.061 118.700 -0.448 0.000 2.084 158 N HA -0.133 4.607 4.740 0.000 0.000 0.190 158 N C 1.887 177.318 175.510 -0.131 0.000 1.030 158 N CA 1.771 54.602 53.050 -0.365 0.000 0.849 158 N CB -0.586 37.442 38.487 -0.764 0.000 1.012 158 N HN 0.453 nan 8.380 nan 0.000 0.423 159 A N 0.846 123.585 122.820 -0.135 0.000 1.883 159 A HA -0.106 4.214 4.320 0.000 0.000 0.217 159 A C 2.355 179.896 177.584 -0.071 0.000 1.186 159 A CA 1.167 53.178 52.037 -0.043 0.000 0.624 159 A CB -0.895 18.055 19.000 -0.084 0.000 0.822 159 A HN 0.290 nan 8.150 nan 0.000 0.444 160 L N -1.017 120.136 121.223 -0.117 0.000 2.131 160 L HA -0.231 4.109 4.340 0.000 0.000 0.210 160 L C 2.592 179.443 176.870 -0.030 0.000 1.092 160 L CA 1.066 55.861 54.840 -0.074 0.000 0.759 160 L CB -0.567 41.464 42.059 -0.046 0.000 0.903 160 L HN 0.496 nan 8.230 nan 0.000 0.435 161 C N -0.459 118.854 119.300 0.022 0.000 2.450 161 C HA -0.039 4.421 4.460 0.000 0.000 0.279 161 C C 2.693 177.703 174.990 0.034 0.000 1.335 161 C CA 0.166 59.243 59.018 0.098 0.000 1.749 161 C CB -0.485 27.298 27.740 0.071 0.000 1.963 161 C HN 0.427 nan 8.230 nan 0.000 0.501 162 I N 0.708 121.287 120.570 0.014 0.000 2.252 162 I HA -0.179 3.991 4.170 0.000 0.000 0.245 162 I C 2.227 178.331 176.117 -0.022 0.000 1.102 162 I CA 1.638 62.954 61.300 0.026 0.000 1.385 162 I CB -0.239 37.794 38.000 0.056 0.000 1.064 162 I HN 0.291 nan 8.210 nan 0.000 0.414 163 I N 0.439 120.971 120.570 -0.063 0.000 2.252 163 I HA -0.176 3.994 4.170 0.000 0.000 0.245 163 I C 1.891 177.902 176.117 -0.177 0.000 1.102 163 I CA 1.170 62.407 61.300 -0.106 0.000 1.385 163 I CB -0.836 37.094 38.000 -0.116 0.000 1.064 163 I HN 0.450 nan 8.210 nan 0.000 0.414 164 G N 1.842 110.485 108.800 -0.261 0.000 2.233 164 G HA2 -0.301 3.659 3.960 0.000 0.000 0.270 164 G HA3 -0.301 3.659 3.960 0.000 0.000 0.270 164 G C 0.452 174.945 174.900 -0.677 0.000 1.011 164 G CA 0.730 45.571 45.100 -0.432 0.000 0.762 164 G HN 0.510 nan 8.290 nan 0.000 0.511 165 T N -3.557 110.608 114.554 -0.647 0.000 2.862 165 T HA 0.620 4.970 4.350 0.000 0.000 0.276 165 T C 1.160 175.422 174.700 -0.731 0.000 0.974 165 T CA 0.359 62.154 62.100 -0.507 0.000 0.966 165 T CB 1.860 70.557 68.868 -0.286 0.000 1.072 165 T HN 0.259 nan 8.240 nan 0.000 0.538 166 E N -0.072 119.901 120.200 -0.379 0.000 2.107 166 E HA -0.170 4.180 4.350 0.000 0.000 0.191 166 E C 1.995 178.506 176.600 -0.149 0.000 0.982 166 E CA 1.181 57.443 56.400 -0.229 0.000 0.809 166 E CB -0.114 29.547 29.700 -0.066 0.000 0.756 166 E HN 0.841 nan 8.360 nan 0.000 0.459 167 E N 0.101 120.215 120.200 -0.143 0.000 2.077 167 E HA -0.244 4.106 4.350 0.000 0.000 0.193 167 E C 1.906 178.459 176.600 -0.078 0.000 0.989 167 E CA 1.183 57.537 56.400 -0.076 0.000 0.800 167 E CB -0.203 29.454 29.700 -0.072 0.000 0.746 167 E HN 0.351 nan 8.360 nan 0.000 0.452 168 A N 0.389 123.095 122.820 -0.191 0.000 1.858 168 A HA -0.180 4.140 4.320 0.000 0.000 0.216 168 A C 1.972 179.548 177.584 -0.013 0.000 1.190 168 A CA 1.553 53.492 52.037 -0.162 0.000 0.617 168 A CB -1.029 17.791 19.000 -0.300 0.000 0.827 168 A HN 0.413 nan 8.150 nan 0.000 0.443 169 Y N 0.733 121.015 120.300 -0.030 0.000 2.128 169 Y HA -0.193 4.357 4.550 0.000 0.000 0.284 169 Y C 2.229 178.278 175.900 0.249 0.000 1.154 169 Y CA 1.257 59.412 58.100 0.091 0.000 1.149 169 Y CB -1.060 37.179 38.460 -0.368 0.000 0.976 169 Y HN 0.307 nan 8.280 nan 0.000 0.505 170 N N -0.242 118.636 118.700 0.297 0.000 2.513 170 N HA -0.114 4.626 4.740 0.000 0.000 0.187 170 N C 1.834 177.456 175.510 0.187 0.000 1.056 170 N CA 0.662 53.852 53.050 0.234 0.000 0.907 170 N CB -0.426 38.147 38.487 0.143 0.000 0.954 170 N HN 0.191 nan 8.380 nan 0.000 0.445 171 V N 1.009 121.033 119.914 0.183 0.000 2.379 171 V HA -0.064 4.057 4.120 0.000 0.000 0.245 171 V C 1.047 177.257 176.094 0.193 0.000 1.044 171 V CA 0.637 63.033 62.300 0.160 0.000 1.036 171 V CB -0.195 31.720 31.823 0.154 0.000 0.664 171 V HN 0.195 nan 8.190 nan 0.000 0.453 172 I N 2.328 123.054 120.570 0.261 0.000 2.581 172 I HA 0.009 4.179 4.170 0.000 0.000 0.285 172 I C 0.577 176.759 176.117 0.107 0.000 1.129 172 I CA 0.252 61.684 61.300 0.219 0.000 1.397 172 I CB -0.211 37.916 38.000 0.212 0.000 1.399 172 I HN 0.173 nan 8.210 nan 0.000 0.537 173 N N 7.218 125.921 118.700 0.006 0.000 2.415 173 N HA 0.089 4.829 4.740 0.000 0.000 0.250 173 N C 1.007 176.512 175.510 -0.010 0.000 1.127 173 N CA 0.124 53.170 53.050 -0.007 0.000 0.945 173 N CB 0.553 39.004 38.487 -0.059 0.000 1.196 173 N HN 0.481 nan 8.380 nan 0.000 0.499 174 R N 2.334 122.841 120.500 0.012 0.000 2.081 174 R HA -0.126 4.215 4.340 0.000 0.000 0.235 174 R C 1.035 177.344 176.300 0.015 0.000 1.131 174 R CA 1.445 57.534 56.100 -0.017 0.000 0.960 174 R CB 0.169 30.450 30.300 -0.031 0.000 0.856 174 R HN 0.501 nan 8.270 nan 0.000 0.436 175 E N 0.663 120.887 120.200 0.041 0.000 2.051 175 E HA -0.142 4.208 4.350 0.000 0.000 0.192 175 E C 1.827 178.498 176.600 0.118 0.000 0.991 175 E CA 1.129 57.581 56.400 0.086 0.000 0.799 175 E CB 0.043 29.795 29.700 0.086 0.000 0.748 175 E HN 0.059 nan 8.360 nan 0.000 0.449 176 K N 0.216 120.655 120.400 0.064 0.000 2.148 176 K HA -0.069 4.251 4.320 0.000 0.000 0.204 176 K C 2.105 178.757 176.600 0.085 0.000 1.050 176 K CA 0.481 56.801 56.287 0.056 0.000 0.942 176 K CB -0.408 32.082 32.500 -0.018 0.000 0.724 176 K HN 0.134 nan 8.250 nan 0.000 0.446 177 L N 1.303 122.558 121.223 0.053 0.000 2.046 177 L HA -0.126 4.214 4.340 0.000 0.000 0.208 177 L C 2.140 179.100 176.870 0.151 0.000 1.077 177 L CA 1.295 56.189 54.840 0.089 0.000 0.747 177 L CB -0.748 41.329 42.059 0.030 0.000 0.896 177 L HN 0.040 nan 8.230 nan 0.000 0.432 178 L N -0.297 121.004 121.223 0.130 0.000 2.012 178 L HA -0.252 4.088 4.340 0.000 0.000 0.210 178 L C 2.524 179.594 176.870 0.334 0.000 1.073 178 L CA 1.900 56.837 54.840 0.161 0.000 0.748 178 L CB -0.884 41.264 42.059 0.148 0.000 0.891 178 L HN 0.464 nan 8.230 nan 0.000 0.431 179 Q N -1.845 118.188 119.800 0.387 0.000 2.112 179 Q HA -0.297 4.043 4.340 0.000 0.000 0.206 179 Q C 2.204 178.357 176.000 0.254 0.000 0.987 179 Q CA 2.267 58.280 55.803 0.350 0.000 0.858 179 Q CB -0.586 28.254 28.738 0.169 0.000 0.905 179 Q HN 0.629 nan 8.270 nan 0.000 0.420 180 Y N 1.255 121.611 120.300 0.094 0.000 2.181 180 Y HA -0.187 4.363 4.550 0.000 0.000 0.288 180 Y C 1.805 177.746 175.900 0.068 0.000 1.146 180 Y CA 1.241 59.371 58.100 0.050 0.000 1.164 180 Y CB -0.204 38.263 38.460 0.011 0.000 0.982 180 Y HN 0.013 nan 8.280 nan 0.000 0.515 181 L N -1.496 119.699 121.223 -0.046 0.000 2.083 181 L HA -0.265 4.075 4.340 0.000 0.000 0.209 181 L C 2.140 178.937 176.870 -0.121 0.000 1.083 181 L CA 1.385 56.154 54.840 -0.119 0.000 0.752 181 L CB -0.843 41.165 42.059 -0.085 0.000 0.899 181 L HN 0.208 nan 8.230 nan 0.000 0.433 182 Y N 0.532 120.799 120.300 -0.055 0.000 2.181 182 Y HA -0.281 4.269 4.550 0.000 0.000 0.288 182 Y C 3.120 178.924 175.900 -0.161 0.000 1.146 182 Y CA 1.642 59.689 58.100 -0.088 0.000 1.164 182 Y CB -0.618 37.859 38.460 0.029 0.000 0.982 182 Y HN 0.290 nan 8.280 nan 0.000 0.515 183 S N -0.591 115.106 115.700 -0.005 0.000 2.469 183 S HA -0.143 4.327 4.470 0.000 0.000 0.238 183 S C 1.588 176.076 174.600 -0.186 0.000 0.998 183 S CA 1.377 59.517 58.200 -0.099 0.000 0.957 183 S CB -0.687 62.458 63.200 -0.092 0.000 0.764 183 S HN 0.492 nan 8.310 nan 0.000 0.514 184 L N -0.553 120.521 121.223 -0.248 0.000 2.575 184 L HA 0.375 4.715 4.340 0.000 0.000 0.228 184 L C 0.838 177.523 176.870 -0.309 0.000 1.075 184 L CA -0.303 54.392 54.840 -0.242 0.000 0.867 184 L CB -0.163 41.765 42.059 -0.218 0.000 1.097 184 L HN 0.066 nan 8.230 nan 0.000 0.485 185 K N 2.053 122.177 120.400 -0.459 0.000 2.451 185 K HA 0.054 4.374 4.320 0.000 0.000 0.280 185 K C -0.262 176.021 176.600 -0.529 0.000 1.020 185 K CA 0.632 56.402 56.287 -0.862 0.000 1.008 185 K CB 0.351 32.380 32.500 -0.786 0.000 0.917 185 K HN -0.040 nan 8.250 nan 0.000 0.478 186 Q N 4.664 124.125 119.800 -0.564 0.000 2.241 186 Q HA 0.296 4.636 4.340 0.000 0.000 0.262 186 Q C -1.808 174.015 176.000 -0.295 0.000 1.014 186 Q CA -2.117 53.470 55.803 -0.360 0.000 0.885 186 Q CB 0.889 29.417 28.738 -0.350 0.000 1.311 186 Q HN 0.402 nan 8.270 nan 0.000 0.461 187 P HA -0.160 nan 4.420 nan 0.000 0.216 187 P C 0.477 177.713 177.300 -0.107 0.000 1.150 187 P CA 1.388 64.410 63.100 -0.130 0.000 0.837 187 P CB 0.203 31.848 31.700 -0.092 0.000 0.786 188 D N -1.731 118.603 120.400 -0.111 0.000 2.352 188 D HA 0.040 4.680 4.640 0.000 0.000 0.232 188 D C 1.426 177.710 176.300 -0.026 0.000 1.055 188 D CA 0.805 54.786 54.000 -0.032 0.000 0.891 188 D CB -0.869 39.953 40.800 0.036 0.000 0.897 188 D HN 0.271 nan 8.370 nan 0.000 0.529 189 G N -0.174 108.535 108.800 -0.152 0.000 2.232 189 G HA2 -0.273 3.687 3.960 0.000 0.000 0.226 189 G HA3 -0.273 3.687 3.960 0.000 0.000 0.226 189 G C 0.485 175.220 174.900 -0.276 0.000 0.996 189 G CA 0.318 45.349 45.100 -0.114 0.000 0.626 189 G HN 0.806 nan 8.290 nan 0.000 0.509 190 S N -0.256 115.059 115.700 -0.641 0.000 2.655 190 S HA 0.811 5.281 4.470 0.000 0.000 0.265 190 S C -0.370 173.881 174.600 -0.580 0.000 1.240 190 S CA -0.364 57.294 58.200 -0.904 0.000 0.986 190 S CB 1.457 63.644 63.200 -1.688 0.000 0.985 190 S HN 0.576 nan 8.310 nan 0.000 0.562 191 F N -0.427 119.234 119.950 -0.482 0.000 2.565 191 F HA 0.505 5.032 4.527 0.000 0.000 0.313 191 F C -0.105 175.518 175.800 -0.295 0.000 1.091 191 F CA -1.008 56.800 58.000 -0.319 0.000 0.915 191 F CB 1.531 40.401 39.000 -0.218 0.000 1.208 191 F HN 0.454 nan 8.300 nan 0.000 0.453 192 L N 3.436 124.604 121.223 -0.093 0.000 2.436 192 L HA 0.238 4.578 4.340 0.000 0.000 0.265 192 L C 1.309 178.108 176.870 -0.119 0.000 1.168 192 L CA -0.293 54.454 54.840 -0.154 0.000 0.815 192 L CB 0.776 42.706 42.059 -0.216 0.000 1.109 192 L HN 0.815 nan 8.230 nan 0.000 0.462 193 M N 0.796 120.306 119.600 -0.149 0.000 2.175 193 M HA -0.087 4.393 4.480 0.000 0.000 0.264 193 M C 0.063 176.213 176.300 -0.251 0.000 1.063 193 M CA 1.518 56.724 55.300 -0.156 0.000 1.119 193 M CB -0.123 32.443 32.600 -0.056 0.000 1.377 193 M HN 0.752 nan 8.290 nan 0.000 0.415 194 H N -5.432 113.494 119.070 -0.241 0.000 2.932 194 H HA 0.437 4.993 4.556 0.000 0.000 0.307 194 H C -1.000 174.287 175.328 -0.068 0.000 1.391 194 H CA -1.384 54.596 56.048 -0.112 0.000 1.130 194 H CB 0.508 30.220 29.762 -0.082 0.000 1.836 194 H HN -0.261 nan 8.280 nan 0.000 0.522 195 V N 1.654 121.580 119.914 0.020 0.000 2.509 195 V HA 0.261 4.382 4.120 0.000 0.000 0.297 195 V C 1.496 177.526 176.094 -0.108 0.000 1.014 195 V CA 1.792 64.049 62.300 -0.071 0.000 1.127 195 V CB 0.021 31.818 31.823 -0.043 0.000 0.925 195 V HN 1.362 nan 8.190 nan 0.000 0.480 196 G N 3.562 112.260 108.800 -0.171 0.000 2.143 196 G HA2 -0.143 3.817 3.960 0.000 0.000 0.249 196 G HA3 -0.143 3.817 3.960 0.000 0.000 0.249 196 G C 0.452 175.198 174.900 -0.256 0.000 0.981 196 G CA 0.147 45.165 45.100 -0.136 0.000 0.665 196 G HN 1.298 nan 8.290 nan 0.000 0.528 197 G N -1.107 107.355 108.800 -0.563 0.000 2.828 197 G HA2 0.722 4.682 3.960 0.000 0.000 0.244 197 G HA3 0.722 4.682 3.960 0.000 0.000 0.244 197 G C -0.207 174.507 174.900 -0.309 0.000 1.365 197 G CA -0.179 44.492 45.100 -0.714 0.000 1.041 197 G HN 0.419 nan 8.290 nan 0.000 0.560 198 E N -1.892 118.190 120.200 -0.197 0.000 2.334 198 E HA 0.532 4.882 4.350 0.000 0.000 0.256 198 E C -0.693 175.853 176.600 -0.089 0.000 0.958 198 E CA -0.886 55.455 56.400 -0.099 0.000 0.821 198 E CB 2.370 32.057 29.700 -0.021 0.000 1.269 198 E HN 0.453 nan 8.360 nan 0.000 0.413 199 V N -1.083 118.788 119.914 -0.072 0.000 2.881 199 V HA 0.764 4.885 4.120 0.000 0.000 0.316 199 V C -1.190 174.917 176.094 0.021 0.000 1.070 199 V CA -0.541 61.702 62.300 -0.096 0.000 0.976 199 V CB 1.666 33.313 31.823 -0.293 0.000 1.038 199 V HN 0.877 nan 8.190 nan 0.000 0.446 200 D N 0.650 121.090 120.400 0.068 0.000 2.710 200 D HA 0.270 4.910 4.640 0.000 0.000 0.276 200 D C 0.335 176.832 176.300 0.328 0.000 1.267 200 D CA -0.171 53.959 54.000 0.217 0.000 0.772 200 D CB 1.284 42.132 40.800 0.080 0.000 1.299 200 D HN 0.309 nan 8.370 nan 0.000 0.421 201 V N 0.241 120.370 119.914 0.358 0.000 2.469 201 V HA -0.211 3.909 4.120 0.000 0.000 0.251 201 V C 2.568 178.854 176.094 0.320 0.000 1.064 201 V CA 2.253 64.786 62.300 0.388 0.000 1.066 201 V CB -0.781 31.163 31.823 0.202 0.000 0.667 201 V HN 0.659 nan 8.190 nan 0.000 0.461 202 R N 0.882 121.589 120.500 0.345 0.000 2.081 202 R HA -0.171 4.169 4.340 0.000 0.000 0.235 202 R C 2.583 179.030 176.300 0.244 0.000 1.131 202 R CA 1.881 58.168 56.100 0.311 0.000 0.960 202 R CB -0.282 30.208 30.300 0.317 0.000 0.856 202 R HN 0.700 nan 8.270 nan 0.000 0.436 203 S N 0.043 115.854 115.700 0.184 0.000 2.383 203 S HA -0.055 4.415 4.470 0.000 0.000 0.227 203 S C 2.162 176.730 174.600 -0.054 0.000 1.026 203 S CA 0.835 59.082 58.200 0.078 0.000 0.981 203 S CB -0.200 63.039 63.200 0.065 0.000 0.818 203 S HN 0.438 nan 8.310 nan 0.000 0.472 204 A N 0.984 123.825 122.820 0.035 0.000 1.902 204 A HA -0.028 4.292 4.320 0.000 0.000 0.217 204 A C 2.074 179.623 177.584 -0.058 0.000 1.181 204 A CA 1.533 53.566 52.037 -0.007 0.000 0.623 204 A CB -1.192 17.954 19.000 0.244 0.000 0.818 204 A HN 0.669 nan 8.150 nan 0.000 0.443 205 Y N 0.245 120.507 120.300 -0.065 0.000 2.200 205 Y HA -0.234 4.316 4.550 0.000 0.000 0.290 205 Y C 2.460 178.283 175.900 -0.128 0.000 1.137 205 Y CA 1.364 59.402 58.100 -0.104 0.000 1.163 205 Y CB -0.822 37.593 38.460 -0.075 0.000 0.988 205 Y HN 0.369 nan 8.280 nan 0.000 0.518 206 C N 0.555 119.669 119.300 -0.311 0.000 2.425 206 C HA -0.072 4.388 4.460 0.000 0.000 0.277 206 C C 3.055 177.909 174.990 -0.226 0.000 1.280 206 C CA 1.055 59.878 59.018 -0.326 0.000 1.744 206 C CB -1.795 25.906 27.740 -0.064 0.000 1.989 206 C HN 0.733 nan 8.230 nan 0.000 0.491 207 A N 0.736 123.380 122.820 -0.294 0.000 1.873 207 A HA 0.122 4.442 4.320 0.000 0.000 0.215 207 A C 2.395 179.950 177.584 -0.048 0.000 1.186 207 A CA 1.967 53.831 52.037 -0.290 0.000 0.616 207 A CB -0.994 17.430 19.000 -0.959 0.000 0.823 207 A HN 0.544 nan 8.150 nan 0.000 0.442 208 A N -0.696 122.003 122.820 -0.201 0.000 1.902 208 A HA -0.110 4.211 4.320 0.000 0.000 0.217 208 A C 2.493 179.958 177.584 -0.199 0.000 1.181 208 A CA 2.261 54.051 52.037 -0.410 0.000 0.623 208 A CB -0.983 17.673 19.000 -0.573 0.000 0.818 208 A HN 0.603 nan 8.150 nan 0.000 0.443 209 S N -0.667 114.898 115.700 -0.226 0.000 2.343 209 S HA -0.137 4.333 4.470 0.000 0.000 0.219 209 S C 1.924 176.581 174.600 0.095 0.000 1.033 209 S CA 1.791 59.996 58.200 0.009 0.000 1.014 209 S CB -0.566 62.568 63.200 -0.110 0.000 0.915 209 S HN 0.288 nan 8.310 nan 0.000 0.435 210 V N 2.089 122.011 119.914 0.013 0.000 2.343 210 V HA -0.100 4.020 4.120 0.000 0.000 0.247 210 V C 2.868 178.942 176.094 -0.033 0.000 1.051 210 V CA 1.777 64.068 62.300 -0.015 0.000 1.036 210 V CB -1.281 30.545 31.823 0.006 0.000 0.654 210 V HN 0.635 nan 8.190 nan 0.000 0.451 211 A N 0.558 123.393 122.820 0.024 0.000 1.873 211 A HA -0.188 4.132 4.320 0.000 0.000 0.215 211 A C 2.544 180.139 177.584 0.018 0.000 1.186 211 A CA 2.201 54.270 52.037 0.054 0.000 0.616 211 A CB -0.748 18.405 19.000 0.254 0.000 0.823 211 A HN 0.670 nan 8.150 nan 0.000 0.442 212 S N 0.121 115.840 115.700 0.031 0.000 2.383 212 S HA -0.071 4.399 4.470 0.000 0.000 0.227 212 S C 1.898 176.487 174.600 -0.018 0.000 1.026 212 S CA 1.384 59.604 58.200 0.033 0.000 0.981 212 S CB -0.740 62.515 63.200 0.091 0.000 0.818 212 S HN 0.422 nan 8.310 nan 0.000 0.472 213 L N 1.886 123.060 121.223 -0.081 0.000 2.046 213 L HA -0.068 4.272 4.340 0.000 0.000 0.208 213 L C 2.970 179.733 176.870 -0.178 0.000 1.077 213 L CA 1.666 56.406 54.840 -0.167 0.000 0.747 213 L CB -1.141 40.767 42.059 -0.250 0.000 0.896 213 L HN 0.578 nan 8.230 nan 0.000 0.432 214 T N -4.036 110.293 114.554 -0.375 0.000 3.148 214 T HA 0.014 4.364 4.350 0.000 0.000 0.253 214 T C 0.841 175.304 174.700 -0.395 0.000 1.134 214 T CA 0.328 61.924 62.100 -0.841 0.000 1.051 214 T CB -0.299 68.063 68.868 -0.843 0.000 0.959 214 T HN 0.348 nan 8.240 nan 0.000 0.525 215 N N 1.098 119.710 118.700 -0.145 0.000 2.726 215 N HA -0.161 4.579 4.740 0.000 0.000 0.253 215 N C 0.104 175.583 175.510 -0.053 0.000 1.059 215 N CA 0.826 53.849 53.050 -0.046 0.000 0.701 215 N CB -1.915 36.581 38.487 0.015 0.000 0.899 215 N HN 0.902 nan 8.380 nan 0.000 0.548 216 I N -2.439 118.101 120.570 -0.050 0.000 3.658 216 I HA 0.402 4.572 4.170 0.000 0.000 0.328 216 I C -0.134 175.975 176.117 -0.014 0.000 1.567 216 I CA -0.646 60.628 61.300 -0.043 0.000 1.078 216 I CB 0.173 38.137 38.000 -0.060 0.000 1.267 216 I HN 0.036 nan 8.210 nan 0.000 0.495 217 I N 3.845 124.434 120.570 0.031 0.000 2.347 217 I HA 0.117 4.287 4.170 0.000 0.000 0.294 217 I C 0.994 177.132 176.117 0.035 0.000 1.090 217 I CA 0.029 61.380 61.300 0.085 0.000 1.314 217 I CB 0.806 38.904 38.000 0.164 0.000 1.423 217 I HN 0.384 nan 8.210 nan 0.000 0.503 218 T N 3.228 117.777 114.554 -0.008 0.000 2.849 218 T HA 0.277 4.627 4.350 0.000 0.000 0.284 218 T C -1.639 173.076 174.700 0.026 0.000 1.004 218 T CA -1.670 60.426 62.100 -0.007 0.000 1.021 218 T CB 1.270 70.138 68.868 0.000 0.000 1.013 218 T HN 0.270 nan 8.240 nan 0.000 0.527 219 P HA -0.079 nan 4.420 nan 0.000 0.217 219 P C 1.020 178.350 177.300 0.050 0.000 1.148 219 P CA 1.090 64.214 63.100 0.041 0.000 0.828 219 P CB 0.048 31.764 31.700 0.028 0.000 0.783 220 D N -1.970 118.461 120.400 0.052 0.000 2.407 220 D HA -0.000 4.640 4.640 0.000 0.000 0.208 220 D C 1.727 178.006 176.300 -0.035 0.000 1.083 220 D CA -0.127 53.900 54.000 0.045 0.000 0.844 220 D CB -0.770 40.079 40.800 0.082 0.000 0.967 220 D HN 0.008 nan 8.370 nan 0.000 0.506 221 L N 0.321 121.453 121.223 -0.152 0.000 2.021 221 L HA -0.105 4.235 4.340 0.000 0.000 0.215 221 L C 0.929 177.425 176.870 -0.622 0.000 1.074 221 L CA 1.718 56.235 54.840 -0.539 0.000 0.760 221 L CB -0.708 40.963 42.059 -0.647 0.000 0.889 221 L HN -0.065 nan 8.230 nan 0.000 0.433 222 F N -0.245 119.713 119.950 0.013 0.000 2.750 222 F HA 0.296 4.823 4.527 0.000 0.000 0.297 222 F C 0.822 176.644 175.800 0.035 0.000 1.138 222 F CA -0.711 57.334 58.000 0.075 0.000 1.346 222 F CB -0.549 38.510 39.000 0.098 0.000 0.965 222 F HN 0.090 nan 8.300 nan 0.000 0.514 223 E N 0.624 120.861 120.200 0.061 0.000 2.415 223 E HA 0.278 4.628 4.350 0.000 0.000 0.260 223 E C 1.397 178.026 176.600 0.049 0.000 1.016 223 E CA 0.916 57.347 56.400 0.053 0.000 0.924 223 E CB 0.266 29.973 29.700 0.012 0.000 0.961 223 E HN 0.622 nan 8.360 nan 0.000 0.459 224 G N 3.531 112.380 108.800 0.083 0.000 2.205 224 G HA2 -0.360 3.600 3.960 0.000 0.000 0.261 224 G HA3 -0.360 3.600 3.960 0.000 0.000 0.261 224 G C 1.035 176.032 174.900 0.161 0.000 0.980 224 G CA 0.673 45.830 45.100 0.094 0.000 0.632 224 G HN 0.628 nan 8.290 nan 0.000 0.533 225 T N 1.065 115.741 114.554 0.203 0.000 2.708 225 T HA 0.108 4.458 4.350 0.000 0.000 0.266 225 T C 2.805 177.677 174.700 0.287 0.000 1.037 225 T CA 2.564 64.849 62.100 0.308 0.000 1.146 225 T CB -0.512 68.640 68.868 0.474 0.000 0.865 225 T HN 1.254 nan 8.240 nan 0.000 0.435 226 A N 1.543 124.478 122.820 0.191 0.000 1.908 226 A HA -0.170 4.150 4.320 0.000 0.000 0.218 226 A C 2.209 179.854 177.584 0.101 0.000 1.181 226 A CA 1.833 53.941 52.037 0.119 0.000 0.627 226 A CB -0.541 18.502 19.000 0.072 0.000 0.818 226 A HN 0.453 nan 8.150 nan 0.000 0.445 227 E N -1.743 118.524 120.200 0.112 0.000 2.152 227 E HA -0.122 4.228 4.350 0.000 0.000 0.192 227 E C 1.515 178.158 176.600 0.072 0.000 0.983 227 E CA 0.913 57.355 56.400 0.070 0.000 0.818 227 E CB -0.320 29.420 29.700 0.067 0.000 0.758 227 E HN 0.847 nan 8.360 nan 0.000 0.467 228 W N 0.839 122.147 121.300 0.014 0.000 2.379 228 W HA -0.062 4.598 4.660 0.000 0.000 0.307 228 W C 1.643 178.162 176.519 -0.001 0.000 1.200 228 W CA 1.332 58.681 57.345 0.007 0.000 1.297 228 W CB -0.144 29.328 29.460 0.021 0.000 1.140 228 W HN -0.031 nan 8.180 nan 0.000 0.507 229 I N 0.748 121.405 120.570 0.144 0.000 2.179 229 I HA -0.319 3.851 4.170 0.000 0.000 0.242 229 I C 2.594 178.600 176.117 -0.185 0.000 1.088 229 I CA 1.533 62.816 61.300 -0.028 0.000 1.357 229 I CB -1.101 36.962 38.000 0.105 0.000 1.051 229 I HN 0.073 nan 8.210 nan 0.000 0.409 230 A N 0.785 123.537 122.820 -0.114 0.000 2.024 230 A HA -0.209 4.111 4.320 0.000 0.000 0.220 230 A C 2.293 179.763 177.584 -0.190 0.000 1.164 230 A CA 1.501 53.462 52.037 -0.127 0.000 0.643 230 A CB -0.608 18.349 19.000 -0.072 0.000 0.806 230 A HN 0.381 nan 8.150 nan 0.000 0.451 231 R N -1.456 118.882 120.500 -0.270 0.000 2.276 231 R HA -0.005 4.335 4.340 0.000 0.000 0.203 231 R C 1.618 177.699 176.300 -0.364 0.000 1.017 231 R CA 0.905 56.827 56.100 -0.298 0.000 1.010 231 R CB -0.499 29.593 30.300 -0.347 0.000 0.900 231 R HN 0.588 nan 8.270 nan 0.000 0.469 232 C N 0.476 119.510 119.300 -0.444 0.000 2.495 232 C HA -0.005 4.455 4.460 0.000 0.000 0.275 232 C C 1.339 176.147 174.990 -0.303 0.000 1.392 232 C CA -0.308 58.458 59.018 -0.419 0.000 1.766 232 C CB -0.678 26.774 27.740 -0.480 0.000 1.933 232 C HN 0.466 nan 8.230 nan 0.000 0.519 233 Q N 2.694 122.335 119.800 -0.265 0.000 2.289 233 Q HA 0.088 4.428 4.340 0.000 0.000 0.273 233 Q C 0.262 176.122 176.000 -0.233 0.000 1.029 233 Q CA 0.365 56.012 55.803 -0.260 0.000 0.896 233 Q CB 0.526 29.140 28.738 -0.207 0.000 1.182 233 Q HN 0.721 nan 8.270 nan 0.000 0.385 234 N N 3.823 122.348 118.700 -0.293 0.000 2.776 234 N HA 0.117 4.857 4.740 0.000 0.000 0.319 234 N C 0.859 176.259 175.510 -0.184 0.000 1.316 234 N CA -0.484 52.441 53.050 -0.207 0.000 0.890 234 N CB -0.431 37.918 38.487 -0.230 0.000 1.165 234 N HN 0.852 nan 8.380 nan 0.000 0.596 235 W N -0.499 120.738 121.300 -0.105 0.000 2.387 235 W HA -0.033 4.627 4.660 0.000 0.000 0.272 235 W C 0.524 177.012 176.519 -0.053 0.000 1.224 235 W CA 0.836 58.141 57.345 -0.066 0.000 1.210 235 W CB -0.971 28.465 29.460 -0.040 0.000 1.125 235 W HN 0.568 nan 8.180 nan 0.000 0.572 236 E N 0.228 119.956 120.200 -0.785 0.000 2.285 236 E HA 0.125 4.475 4.350 0.000 0.000 0.194 236 E C 2.086 178.482 176.600 -0.339 0.000 0.997 236 E CA 0.954 56.965 56.400 -0.647 0.000 0.845 236 E CB -0.368 28.779 29.700 -0.922 0.000 0.782 236 E HN 0.422 nan 8.360 nan 0.000 0.491 237 G N 0.674 109.230 108.800 -0.408 0.000 2.238 237 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 237 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 237 G C 0.500 175.098 174.900 -0.504 0.000 0.996 237 G CA -0.273 44.663 45.100 -0.272 0.000 0.632 237 G HN 0.519 nan 8.290 nan 0.000 0.503 238 G N -0.515 107.616 108.800 -1.115 0.000 2.535 238 G HA2 0.663 4.623 3.960 0.000 0.000 0.303 238 G HA3 0.663 4.623 3.960 0.000 0.000 0.303 238 G C -0.371 174.029 174.900 -0.834 0.000 1.237 238 G CA -0.783 43.431 45.100 -1.477 0.000 0.986 238 G HN 0.610 nan 8.290 nan 0.000 0.494 239 I N 0.463 120.649 120.570 -0.640 0.000 2.406 239 I HA 0.424 4.594 4.170 0.000 0.000 0.290 239 I C 0.926 176.908 176.117 -0.225 0.000 0.999 239 I CA -0.631 60.456 61.300 -0.354 0.000 1.124 239 I CB 1.941 39.805 38.000 -0.228 0.000 1.289 239 I HN 0.575 nan 8.210 nan 0.000 0.441 240 G N 2.947 111.604 108.800 -0.238 0.000 2.547 240 G HA2 0.391 4.351 3.960 0.000 0.000 0.291 240 G HA3 0.391 4.351 3.960 0.000 0.000 0.291 240 G C 0.932 175.591 174.900 -0.402 0.000 1.211 240 G CA -0.113 44.860 45.100 -0.212 0.000 0.950 240 G HN 0.782 nan 8.290 nan 0.000 0.504 241 G N -1.579 106.767 108.800 -0.757 0.000 2.421 241 G HA2 0.266 4.226 3.960 0.000 0.000 0.217 241 G HA3 0.266 4.226 3.960 0.000 0.000 0.217 241 G C 0.587 175.224 174.900 -0.437 0.000 1.143 241 G CA 1.682 46.054 45.100 -1.213 0.000 0.784 241 G HN 1.446 nan 8.290 nan 0.000 0.541 242 V N -4.247 115.491 119.914 -0.293 0.000 3.049 242 V HA 0.669 4.789 4.120 0.000 0.000 0.309 242 V C -3.026 172.929 176.094 -0.231 0.000 1.148 242 V CA -3.056 59.158 62.300 -0.144 0.000 0.990 242 V CB 1.999 33.830 31.823 0.012 0.000 1.039 242 V HN -0.127 nan 8.190 nan 0.000 0.430 243 P HA 0.319 nan 4.420 nan 0.000 0.263 243 P C 1.044 178.266 177.300 -0.130 0.000 1.175 243 P CA 2.213 65.163 63.100 -0.249 0.000 0.761 243 P CB 0.661 32.207 31.700 -0.258 0.000 0.794 244 G N 1.448 110.188 108.800 -0.100 0.000 2.258 244 G HA2 -0.217 3.743 3.960 0.000 0.000 0.233 244 G HA3 -0.217 3.743 3.960 0.000 0.000 0.233 244 G C 0.229 175.123 174.900 -0.011 0.000 1.006 244 G CA -0.361 44.721 45.100 -0.031 0.000 0.620 244 G HN 0.404 nan 8.290 nan 0.000 0.511 245 M N 1.407 120.970 119.600 -0.062 0.000 2.241 245 M HA 0.370 4.850 4.480 0.000 0.000 0.335 245 M C 0.770 177.044 176.300 -0.045 0.000 1.122 245 M CA -0.747 54.524 55.300 -0.049 0.000 1.164 245 M CB 0.791 33.326 32.600 -0.109 0.000 1.459 245 M HN 0.433 nan 8.290 nan 0.000 0.461 246 E N 1.325 121.531 120.200 0.010 0.000 2.442 246 E HA 0.232 4.582 4.350 0.000 0.000 0.262 246 E C -0.566 176.003 176.600 -0.052 0.000 1.004 246 E CA -0.352 56.050 56.400 0.004 0.000 0.928 246 E CB 0.703 30.454 29.700 0.086 0.000 0.937 246 E HN 0.697 nan 8.360 nan 0.000 0.446 247 A N 5.081 127.781 122.820 -0.200 0.000 2.520 247 A HA 0.035 4.355 4.320 0.000 0.000 0.245 247 A C -0.438 177.186 177.584 0.066 0.000 1.072 247 A CA 0.216 52.060 52.037 -0.322 0.000 0.761 247 A CB 0.203 18.688 19.000 -0.859 0.000 1.004 247 A HN 0.713 nan 8.150 nan 0.000 0.499 248 H N 1.934 121.009 119.070 0.007 0.000 2.759 248 H HA 0.371 4.927 4.556 0.000 0.000 0.354 248 H C 1.188 176.623 175.328 0.178 0.000 1.074 248 H CA 0.150 56.294 56.048 0.160 0.000 1.226 248 H CB 1.675 31.571 29.762 0.225 0.000 1.648 248 H HN 0.672 nan 8.280 nan 0.000 0.529 249 G N 2.794 111.624 108.800 0.051 0.000 2.469 249 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 249 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 249 G C 1.534 176.538 174.900 0.174 0.000 1.150 249 G CA 0.866 46.056 45.100 0.149 0.000 0.763 249 G HN 0.686 nan 8.290 nan 0.000 0.561 250 G N -0.192 108.658 108.800 0.082 0.000 2.440 250 G HA2 -0.189 3.771 3.960 0.000 0.000 0.218 250 G HA3 -0.189 3.771 3.960 0.000 0.000 0.218 250 G C 1.629 176.308 174.900 -0.367 0.000 1.154 250 G CA 1.072 45.866 45.100 -0.510 0.000 0.767 250 G HN 0.444 nan 8.290 nan 0.000 0.552 251 Y N 1.168 121.482 120.300 0.024 0.000 2.263 251 Y HA 0.010 4.560 4.550 0.000 0.000 0.292 251 Y C 3.275 179.139 175.900 -0.059 0.000 1.130 251 Y CA 1.290 59.360 58.100 -0.050 0.000 1.179 251 Y CB -0.844 37.573 38.460 -0.072 0.000 0.998 251 Y HN 0.104 nan 8.280 nan 0.000 0.532 252 T N 0.493 115.116 114.554 0.114 0.000 2.788 252 T HA -0.216 4.134 4.350 0.000 0.000 0.268 252 T C 1.688 176.385 174.700 -0.006 0.000 1.044 252 T CA 1.515 63.618 62.100 0.005 0.000 1.139 252 T CB -0.691 68.185 68.868 0.014 0.000 0.867 252 T HN 0.334 nan 8.240 nan 0.000 0.454 253 F N 1.411 121.335 119.950 -0.044 0.000 2.113 253 F HA -0.123 4.404 4.527 0.000 0.000 0.297 253 F C 2.421 178.098 175.800 -0.205 0.000 1.103 253 F CA 0.624 58.570 58.000 -0.089 0.000 1.248 253 F CB -0.788 38.238 39.000 0.044 0.000 0.999 253 F HN 0.143 nan 8.300 nan 0.000 0.475 254 C N 0.937 120.068 119.300 -0.282 0.000 2.413 254 C HA -0.103 4.357 4.460 0.000 0.000 0.276 254 C C 3.092 177.914 174.990 -0.280 0.000 1.248 254 C CA 1.199 59.917 59.018 -0.500 0.000 1.742 254 C CB -1.966 25.694 27.740 -0.134 0.000 2.017 254 C HN 0.741 nan 8.230 nan 0.000 0.481 255 G N 0.315 109.031 108.800 -0.139 0.000 2.480 255 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 255 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 255 G C 1.492 176.305 174.900 -0.145 0.000 1.200 255 G CA 1.089 46.138 45.100 -0.086 0.000 0.782 255 G HN 0.444 nan 8.290 nan 0.000 0.554 256 L N 1.402 122.497 121.223 -0.214 0.000 2.083 256 L HA 0.178 4.518 4.340 0.000 0.000 0.209 256 L C 3.041 179.752 176.870 -0.266 0.000 1.083 256 L CA 2.048 56.762 54.840 -0.211 0.000 0.752 256 L CB -0.696 41.246 42.059 -0.195 0.000 0.899 256 L HN 0.256 nan 8.230 nan 0.000 0.433 257 A N -0.542 121.997 122.820 -0.468 0.000 1.902 257 A HA -0.076 4.244 4.320 0.000 0.000 0.217 257 A C 2.466 179.971 177.584 -0.132 0.000 1.181 257 A CA 1.683 53.470 52.037 -0.416 0.000 0.623 257 A CB -1.123 17.392 19.000 -0.809 0.000 0.818 257 A HN 0.548 nan 8.150 nan 0.000 0.443 258 A N -0.076 122.728 122.820 -0.027 0.000 1.883 258 A HA -0.086 4.234 4.320 0.000 0.000 0.217 258 A C 2.153 179.684 177.584 -0.090 0.000 1.186 258 A CA 1.587 53.625 52.037 0.002 0.000 0.624 258 A CB -0.664 18.373 19.000 0.061 0.000 0.822 258 A HN 0.483 nan 8.150 nan 0.000 0.444 259 L N -0.593 120.585 121.223 -0.075 0.000 2.141 259 L HA -0.138 4.202 4.340 0.000 0.000 0.209 259 L C 2.470 179.299 176.870 -0.069 0.000 1.094 259 L CA 0.790 55.591 54.840 -0.065 0.000 0.763 259 L CB -0.557 41.471 42.059 -0.052 0.000 0.908 259 L HN 0.243 nan 8.230 nan 0.000 0.437 260 V N 0.283 120.148 119.914 -0.081 0.000 2.358 260 V HA -0.277 3.844 4.120 0.000 0.000 0.246 260 V C 2.347 178.407 176.094 -0.057 0.000 1.047 260 V CA 1.736 64.002 62.300 -0.058 0.000 1.035 260 V CB -0.244 31.540 31.823 -0.064 0.000 0.658 260 V HN 0.307 nan 8.190 nan 0.000 0.452 261 I N -0.245 120.266 120.570 -0.099 0.000 2.163 261 I HA -0.257 3.913 4.170 0.000 0.000 0.243 261 I C 1.997 178.051 176.117 -0.106 0.000 1.085 261 I CA 1.705 62.940 61.300 -0.107 0.000 1.347 261 I CB -0.274 37.620 38.000 -0.176 0.000 1.044 261 I HN 0.254 nan 8.210 nan 0.000 0.408 262 L N 0.433 121.573 121.223 -0.139 0.000 2.599 262 L HA 0.016 4.356 4.340 0.000 0.000 0.230 262 L C 0.529 177.372 176.870 -0.044 0.000 1.141 262 L CA 0.234 55.004 54.840 -0.117 0.000 0.877 262 L CB -0.469 41.508 42.059 -0.136 0.000 1.009 262 L HN 0.223 nan 8.230 nan 0.000 0.447 263 K N 0.353 120.734 120.400 -0.032 0.000 3.077 263 K HA -0.182 4.138 4.320 0.000 0.000 0.264 263 K C 0.081 176.679 176.600 -0.004 0.000 1.008 263 K CA 0.395 56.678 56.287 -0.007 0.000 0.740 263 K CB -0.826 31.679 32.500 0.007 0.000 1.273 263 K HN 0.177 nan 8.250 nan 0.000 0.477 264 K N 0.012 120.404 120.400 -0.013 0.000 2.592 264 K HA 0.065 4.385 4.320 0.000 0.000 0.203 264 K C 0.368 176.961 176.600 -0.012 0.000 1.070 264 K CA 0.034 56.318 56.287 -0.005 0.000 1.062 264 K CB 0.868 33.369 32.500 0.002 0.000 0.814 264 K HN 0.204 nan 8.250 nan 0.000 0.502 265 E N 0.802 120.992 120.200 -0.017 0.000 2.219 265 E HA -0.146 4.204 4.350 0.000 0.000 0.198 265 E C 1.369 177.958 176.600 -0.017 0.000 0.998 265 E CA 1.104 57.490 56.400 -0.023 0.000 0.818 265 E CB -0.152 29.536 29.700 -0.019 0.000 0.741 265 E HN 0.219 nan 8.360 nan 0.000 0.477 266 R N 0.430 120.924 120.500 -0.009 0.000 2.285 266 R HA 0.080 4.420 4.340 0.000 0.000 0.213 266 R C 1.733 178.027 176.300 -0.011 0.000 1.068 266 R CA 0.763 56.859 56.100 -0.007 0.000 1.004 266 R CB -0.104 30.195 30.300 -0.001 0.000 0.873 266 R HN 0.047 nan 8.270 nan 0.000 0.467 267 S N 0.853 116.545 115.700 -0.013 0.000 2.474 267 S HA 0.022 4.492 4.470 0.000 0.000 0.235 267 S C 0.905 175.487 174.600 -0.030 0.000 0.997 267 S CA 0.673 58.863 58.200 -0.016 0.000 0.949 267 S CB 0.003 63.195 63.200 -0.013 0.000 0.766 267 S HN 0.173 nan 8.310 nan 0.000 0.517 268 L N 1.610 122.812 121.223 -0.035 0.000 2.352 268 L HA 0.405 4.745 4.340 0.000 0.000 0.269 268 L C 0.382 177.231 176.870 -0.035 0.000 1.034 268 L CA -0.847 53.965 54.840 -0.048 0.000 0.806 268 L CB 0.445 42.468 42.059 -0.061 0.000 1.244 268 L HN -0.034 nan 8.230 nan 0.000 0.447 269 N N 1.775 120.452 118.700 -0.040 0.000 2.508 269 N HA 0.132 4.872 4.740 0.000 0.000 0.253 269 N C 0.732 176.233 175.510 -0.016 0.000 1.145 269 N CA 0.108 53.145 53.050 -0.022 0.000 0.973 269 N CB 0.440 38.913 38.487 -0.022 0.000 1.305 269 N HN 0.585 nan 8.380 nan 0.000 0.506 270 L N 2.160 123.380 121.223 -0.005 0.000 2.127 270 L HA -0.198 4.142 4.340 0.000 0.000 0.211 270 L C 2.338 179.224 176.870 0.028 0.000 1.089 270 L CA 1.171 56.016 54.840 0.008 0.000 0.757 270 L CB -0.246 41.821 42.059 0.013 0.000 0.899 270 L HN 0.541 nan 8.230 nan 0.000 0.434 271 K N 0.669 121.085 120.400 0.028 0.000 2.026 271 K HA -0.187 4.133 4.320 0.000 0.000 0.208 271 K C 2.282 178.915 176.600 0.055 0.000 1.048 271 K CA 1.860 58.173 56.287 0.043 0.000 0.929 271 K CB -0.096 32.426 32.500 0.036 0.000 0.713 271 K HN 0.313 nan 8.250 nan 0.000 0.439 272 S N 0.599 116.323 115.700 0.040 0.000 2.481 272 S HA -0.102 4.368 4.470 0.000 0.000 0.231 272 S C 1.884 176.528 174.600 0.073 0.000 0.996 272 S CA 0.670 58.901 58.200 0.052 0.000 0.942 272 S CB -0.237 62.976 63.200 0.022 0.000 0.768 272 S HN 0.348 nan 8.310 nan 0.000 0.520 273 L N 1.146 122.399 121.223 0.051 0.000 2.023 273 L HA 0.260 4.600 4.340 0.000 0.000 0.205 273 L C 2.203 179.178 176.870 0.175 0.000 1.073 273 L CA 1.463 56.349 54.840 0.077 0.000 0.745 273 L CB -1.132 40.935 42.059 0.013 0.000 0.900 273 L HN 0.372 nan 8.230 nan 0.000 0.435 274 L N -0.176 121.122 121.223 0.125 0.000 2.013 274 L HA -0.242 4.099 4.340 0.000 0.000 0.212 274 L C 2.578 179.535 176.870 0.146 0.000 1.073 274 L CA 2.094 57.014 54.840 0.133 0.000 0.753 274 L CB -1.044 41.081 42.059 0.109 0.000 0.890 274 L HN 0.526 nan 8.230 nan 0.000 0.432 275 Q N -1.252 118.631 119.800 0.138 0.000 2.124 275 Q HA -0.275 4.065 4.340 0.000 0.000 0.202 275 Q C 2.113 178.204 176.000 0.151 0.000 0.977 275 Q CA 2.214 58.093 55.803 0.126 0.000 0.850 275 Q CB -0.637 28.168 28.738 0.111 0.000 0.901 275 Q HN 0.731 nan 8.270 nan 0.000 0.429 276 W N 0.664 121.960 121.300 -0.007 0.000 2.407 276 W HA -0.170 4.490 4.660 0.000 0.000 0.305 276 W C 2.033 178.547 176.519 -0.007 0.000 1.196 276 W CA 2.222 59.548 57.345 -0.032 0.000 1.311 276 W CB -0.377 29.035 29.460 -0.080 0.000 1.135 276 W HN -0.014 nan 8.180 nan 0.000 0.514 277 V N 1.047 121.013 119.914 0.086 0.000 2.255 277 V HA -0.389 3.731 4.120 0.000 0.000 0.247 277 V C 2.476 178.528 176.094 -0.070 0.000 1.051 277 V CA 3.009 65.227 62.300 -0.137 0.000 1.018 277 V CB -2.340 29.507 31.823 0.041 0.000 0.641 277 V HN 0.420 nan 8.190 nan 0.000 0.445 278 T N -1.217 113.372 114.554 0.057 0.000 2.737 278 T HA -0.250 4.100 4.350 0.000 0.000 0.269 278 T C 1.819 176.527 174.700 0.013 0.000 1.040 278 T CA 2.060 64.228 62.100 0.115 0.000 1.142 278 T CB -0.838 68.105 68.868 0.124 0.000 0.861 278 T HN 0.454 nan 8.240 nan 0.000 0.456 279 S N 0.826 116.476 115.700 -0.083 0.000 2.515 279 S HA 0.094 4.564 4.470 0.000 0.000 0.231 279 S C 1.983 176.454 174.600 -0.215 0.000 0.987 279 S CA 0.153 58.272 58.200 -0.135 0.000 0.936 279 S CB -0.234 62.881 63.200 -0.140 0.000 0.766 279 S HN 0.321 nan 8.310 nan 0.000 0.528 280 R N 1.438 121.781 120.500 -0.261 0.000 2.236 280 R HA 0.171 4.511 4.340 0.000 0.000 0.208 280 R C 0.950 177.165 176.300 -0.141 0.000 1.036 280 R CA 0.189 56.148 56.100 -0.235 0.000 1.001 280 R CB -0.634 29.484 30.300 -0.303 0.000 0.896 280 R HN 0.515 nan 8.270 nan 0.000 0.464 281 Q N 0.925 120.527 119.800 -0.329 0.000 2.296 281 Q HA 0.106 4.446 4.340 0.000 0.000 0.262 281 Q C -0.518 175.263 176.000 -0.366 0.000 0.981 281 Q CA -0.168 55.172 55.803 -0.772 0.000 0.905 281 Q CB 0.630 28.899 28.738 -0.781 0.000 1.186 281 Q HN -0.122 nan 8.270 nan 0.000 0.399 282 M N 4.491 123.895 119.600 -0.327 0.000 2.227 282 M HA 0.059 4.539 4.480 0.000 0.000 0.349 282 M C 1.104 177.360 176.300 -0.074 0.000 1.443 282 M CA 0.562 55.768 55.300 -0.157 0.000 1.110 282 M CB 0.364 32.879 32.600 -0.142 0.000 1.773 282 M HN 0.720 nan 8.290 nan 0.000 0.463 283 R N 1.767 122.262 120.500 -0.009 0.000 2.091 283 R HA -0.173 4.167 4.340 0.000 0.000 0.238 283 R C 1.571 177.923 176.300 0.086 0.000 1.136 283 R CA 1.517 57.641 56.100 0.040 0.000 0.959 283 R CB -0.525 29.789 30.300 0.024 0.000 0.856 283 R HN 0.527 nan 8.270 nan 0.000 0.437 284 F N 2.086 122.021 119.950 -0.025 0.000 2.092 284 F HA 0.093 4.620 4.527 0.000 0.000 0.286 284 F C 1.902 177.918 175.800 0.360 0.000 1.116 284 F CA 1.231 59.263 58.000 0.054 0.000 1.185 284 F CB -0.325 38.708 39.000 0.055 0.000 1.034 284 F HN -0.126 nan 8.300 nan 0.000 0.479 285 E N 0.331 120.585 120.200 0.090 0.000 2.114 285 E HA -0.047 4.303 4.350 0.000 0.000 0.199 285 E C 1.881 178.545 176.600 0.107 0.000 1.008 285 E CA 1.787 58.212 56.400 0.041 0.000 0.810 285 E CB -0.807 28.856 29.700 -0.062 0.000 0.739 285 E HN 0.705 nan 8.360 nan 0.000 0.456 286 G N -0.619 108.174 108.800 -0.012 0.000 2.241 286 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 286 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 286 G C 0.576 175.363 174.900 -0.189 0.000 0.998 286 G CA 0.088 45.162 45.100 -0.043 0.000 0.621 286 G HN 0.671 nan 8.290 nan 0.000 0.519 287 G N -0.678 107.866 108.800 -0.427 0.000 2.535 287 G HA2 0.633 4.593 3.960 0.000 0.000 0.303 287 G HA3 0.633 4.593 3.960 0.000 0.000 0.303 287 G C -0.494 174.159 174.900 -0.412 0.000 1.237 287 G CA -0.872 43.939 45.100 -0.482 0.000 0.986 287 G HN 0.271 nan 8.290 nan 0.000 0.494 288 F N -0.314 119.542 119.950 -0.155 0.000 2.425 288 F HA 0.385 4.912 4.527 0.000 0.000 0.331 288 F C 0.897 176.635 175.800 -0.103 0.000 1.085 288 F CA -0.599 57.327 58.000 -0.123 0.000 1.028 288 F CB 1.914 40.860 39.000 -0.089 0.000 1.177 288 F HN 0.496 nan 8.300 nan 0.000 0.487 289 Q N 0.748 120.542 119.800 -0.010 0.000 2.193 289 Q HA 0.591 4.931 4.340 0.000 0.000 0.246 289 Q C 0.566 176.237 176.000 -0.549 0.000 0.959 289 Q CA -0.588 55.122 55.803 -0.155 0.000 0.904 289 Q CB 1.529 30.177 28.738 -0.150 0.000 1.238 289 Q HN 0.813 nan 8.270 nan 0.000 0.469 290 G N 0.685 108.941 108.800 -0.907 0.000 2.492 290 G HA2 0.071 4.031 3.960 0.000 0.000 0.214 290 G HA3 0.071 4.031 3.960 0.000 0.000 0.214 290 G C 0.269 174.791 174.900 -0.631 0.000 1.147 290 G CA -0.067 44.178 45.100 -1.426 0.000 0.809 290 G HN 0.449 nan 8.290 nan 0.000 0.533 291 R N -1.680 118.617 120.500 -0.339 0.000 2.774 291 R HA 0.396 4.736 4.340 0.000 0.000 0.272 291 R C -1.111 175.135 176.300 -0.089 0.000 1.000 291 R CA -0.854 55.196 56.100 -0.084 0.000 0.906 291 R CB 1.250 31.553 30.300 0.005 0.000 1.227 291 R HN 0.079 nan 8.270 nan 0.000 0.468 292 C N 2.050 121.340 119.300 -0.016 0.000 2.634 292 C HA 0.032 4.492 4.460 0.000 0.000 0.417 292 C C 0.728 175.717 174.990 -0.002 0.000 1.334 292 C CA 0.560 59.557 59.018 -0.035 0.000 1.829 292 C CB -0.912 26.843 27.740 0.024 0.000 2.665 292 C HN 0.948 nan 8.230 nan 0.000 0.614 293 N N 2.240 120.933 118.700 -0.013 0.000 2.741 293 N HA -0.150 4.590 4.740 0.000 0.000 0.250 293 N C -0.622 174.892 175.510 0.008 0.000 1.115 293 N CA 1.331 54.385 53.050 0.007 0.000 0.724 293 N CB -0.842 37.665 38.487 0.034 0.000 1.090 293 N HN 0.807 nan 8.380 nan 0.000 0.558 294 K N -0.341 120.051 120.400 -0.014 0.000 2.352 294 K HA 0.542 4.862 4.320 0.000 0.000 0.240 294 K C 0.464 177.060 176.600 -0.005 0.000 1.017 294 K CA -0.828 55.458 56.287 -0.001 0.000 0.851 294 K CB 1.462 33.959 32.500 -0.005 0.000 1.261 294 K HN -0.063 nan 8.250 nan 0.000 0.451 295 L N 1.115 122.353 121.223 0.025 0.000 2.464 295 L HA 0.186 4.526 4.340 0.000 0.000 0.264 295 L C 0.666 177.561 176.870 0.041 0.000 1.199 295 L CA -0.501 54.361 54.840 0.037 0.000 0.818 295 L CB 0.425 42.522 42.059 0.063 0.000 1.102 295 L HN 0.307 nan 8.230 nan 0.000 0.473 296 V N 1.075 121.001 119.914 0.019 0.000 3.051 296 V HA 0.188 4.308 4.120 0.000 0.000 0.306 296 V C -0.426 175.731 176.094 0.105 0.000 1.083 296 V CA 0.279 62.566 62.300 -0.021 0.000 1.104 296 V CB 1.477 33.176 31.823 -0.206 0.000 1.027 296 V HN 0.913 nan 8.190 nan 0.000 0.483 297 D N 2.533 123.042 120.400 0.182 0.000 2.878 297 D HA 0.316 4.956 4.640 0.000 0.000 0.211 297 D C 0.674 177.161 176.300 0.312 0.000 1.271 297 D CA 0.185 54.360 54.000 0.292 0.000 0.845 297 D CB 1.602 42.628 40.800 0.378 0.000 1.679 297 D HN 0.624 nan 8.370 nan 0.000 0.536 298 G N 1.654 110.661 108.800 0.346 0.000 2.469 298 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 298 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 298 G C 1.802 176.805 174.900 0.172 0.000 1.150 298 G CA 1.570 46.863 45.100 0.321 0.000 0.763 298 G HN 0.788 nan 8.290 nan 0.000 0.561 299 C N -1.197 118.158 119.300 0.092 0.000 2.411 299 C HA 0.001 4.461 4.460 0.000 0.000 0.279 299 C C 2.351 177.160 174.990 -0.302 0.000 1.288 299 C CA 0.283 59.174 59.018 -0.211 0.000 1.764 299 C CB -1.652 25.848 27.740 -0.400 0.000 1.974 299 C HN 0.400 nan 8.230 nan 0.000 0.498 300 Y N 2.545 122.915 120.300 0.116 0.000 2.632 300 Y HA 0.018 4.568 4.550 0.000 0.000 0.301 300 Y C 2.671 178.503 175.900 -0.113 0.000 1.172 300 Y CA 0.958 59.090 58.100 0.053 0.000 1.328 300 Y CB -0.859 37.658 38.460 0.094 0.000 1.016 300 Y HN 0.379 nan 8.280 nan 0.000 0.529 301 S N -0.431 115.322 115.700 0.088 0.000 2.399 301 S HA -0.173 4.297 4.470 0.000 0.000 0.231 301 S C 1.716 176.242 174.600 -0.124 0.000 1.022 301 S CA 1.251 59.506 58.200 0.091 0.000 0.983 301 S CB -0.396 62.917 63.200 0.188 0.000 0.803 301 S HN 0.554 nan 8.310 nan 0.000 0.480 302 F N 0.498 120.247 119.950 -0.334 0.000 2.243 302 F HA 0.180 4.707 4.527 0.000 0.000 0.287 302 F C 1.659 177.123 175.800 -0.560 0.000 1.067 302 F CA 0.198 57.909 58.000 -0.481 0.000 1.304 302 F CB -0.676 37.998 39.000 -0.542 0.000 1.087 302 F HN 0.156 nan 8.300 nan 0.000 0.513 303 W N 1.090 122.078 121.300 -0.520 0.000 2.318 303 W HA -0.258 4.402 4.660 0.000 0.000 0.313 303 W C 2.446 178.706 176.519 -0.431 0.000 1.221 303 W CA 1.152 58.191 57.345 -0.509 0.000 1.266 303 W CB -0.563 28.849 29.460 -0.079 0.000 1.150 303 W HN 0.084 nan 8.180 nan 0.000 0.496 304 Q N -0.158 119.476 119.800 -0.276 0.000 2.036 304 Q HA -0.002 4.338 4.340 0.000 0.000 0.195 304 Q C 2.472 177.919 176.000 -0.922 0.000 0.971 304 Q CA 1.494 56.938 55.803 -0.598 0.000 0.826 304 Q CB -1.393 26.801 28.738 -0.906 0.000 0.896 304 Q HN 0.299 nan 8.270 nan 0.000 0.449 305 A N 1.230 123.268 122.820 -1.304 0.000 2.024 305 A HA -0.092 4.228 4.320 0.000 0.000 0.220 305 A C 2.247 179.369 177.584 -0.770 0.000 1.164 305 A CA 1.700 53.009 52.037 -1.214 0.000 0.643 305 A CB -1.029 17.324 19.000 -1.079 0.000 0.806 305 A HN 0.459 nan 8.150 nan 0.000 0.451 306 G N -0.317 108.040 108.800 -0.738 0.000 2.470 306 G HA2 -0.113 3.847 3.960 0.000 0.000 0.220 306 G HA3 -0.113 3.847 3.960 0.000 0.000 0.220 306 G C 1.446 176.187 174.900 -0.265 0.000 1.121 306 G CA 0.908 45.640 45.100 -0.613 0.000 0.766 306 G HN 0.471 nan 8.290 nan 0.000 0.553 307 L N -0.340 120.747 121.223 -0.226 0.000 2.093 307 L HA -0.001 4.339 4.340 0.000 0.000 0.208 307 L C 2.812 179.600 176.870 -0.136 0.000 1.085 307 L CA 0.422 55.190 54.840 -0.121 0.000 0.755 307 L CB -0.350 41.670 42.059 -0.065 0.000 0.904 307 L HN 0.182 nan 8.230 nan 0.000 0.435 308 L N -0.368 120.738 121.223 -0.195 0.000 2.042 308 L HA -0.179 4.161 4.340 0.000 0.000 0.210 308 L C -0.274 176.499 176.870 -0.160 0.000 1.076 308 L CA 1.656 56.461 54.840 -0.060 0.000 0.749 308 L CB -1.626 40.511 42.059 0.131 0.000 0.893 308 L HN 0.207 nan 8.230 nan 0.000 0.432 309 P HA -0.119 nan 4.420 nan 0.000 0.219 309 P C 1.851 179.030 177.300 -0.202 0.000 1.150 309 P CA 1.158 63.782 63.100 -0.794 0.000 0.814 309 P CB 0.117 31.203 31.700 -1.024 0.000 0.787 310 L N -1.434 119.704 121.223 -0.142 0.000 2.005 310 L HA -0.138 4.202 4.340 0.000 0.000 0.207 310 L C 2.384 179.262 176.870 0.014 0.000 1.072 310 L CA 1.362 56.169 54.840 -0.056 0.000 0.744 310 L CB -1.065 40.936 42.059 -0.096 0.000 0.895 310 L HN -0.065 nan 8.230 nan 0.000 0.433 311 L N -1.057 120.184 121.223 0.031 0.000 2.131 311 L HA -0.249 4.091 4.340 0.000 0.000 0.210 311 L C 2.562 179.513 176.870 0.135 0.000 1.092 311 L CA 1.091 55.976 54.840 0.075 0.000 0.759 311 L CB -0.595 41.516 42.059 0.088 0.000 0.903 311 L HN 0.315 nan 8.230 nan 0.000 0.435 312 H N 0.052 119.197 119.070 0.126 0.000 2.357 312 H HA -0.089 4.467 4.556 0.000 0.000 0.301 312 H C 2.474 177.915 175.328 0.188 0.000 1.082 312 H CA 1.573 57.755 56.048 0.224 0.000 1.342 312 H CB 0.246 30.243 29.762 0.391 0.000 1.389 312 H HN 0.095 nan 8.280 nan 0.000 0.511 313 R N -0.025 120.631 120.500 0.259 0.000 2.070 313 R HA -0.076 4.264 4.340 0.000 0.000 0.233 313 R C 2.607 179.001 176.300 0.156 0.000 1.137 313 R CA 1.024 57.245 56.100 0.202 0.000 0.945 313 R CB -0.394 29.980 30.300 0.123 0.000 0.845 313 R HN 0.344 nan 8.270 nan 0.000 0.430 314 A N 1.581 124.459 122.820 0.098 0.000 1.849 314 A HA -0.203 4.117 4.320 0.000 0.000 0.217 314 A C 2.229 179.847 177.584 0.057 0.000 1.202 314 A CA 1.565 53.639 52.037 0.061 0.000 0.629 314 A CB -0.906 18.115 19.000 0.035 0.000 0.834 314 A HN 0.207 nan 8.150 nan 0.000 0.447 315 L N -1.496 119.758 121.223 0.050 0.000 2.079 315 L HA -0.231 4.110 4.340 0.000 0.000 0.210 315 L C 2.749 179.641 176.870 0.037 0.000 1.081 315 L CA 1.723 56.580 54.840 0.027 0.000 0.752 315 L CB -0.827 41.236 42.059 0.007 0.000 0.896 315 L HN 0.653 nan 8.230 nan 0.000 0.433 316 H N 0.435 119.485 119.070 -0.033 0.000 2.389 316 H HA -0.131 4.425 4.556 0.000 0.000 0.299 316 H C 2.117 177.460 175.328 0.025 0.000 1.081 316 H CA 1.407 57.452 56.048 -0.004 0.000 1.345 316 H CB 0.407 30.193 29.762 0.040 0.000 1.393 316 H HN 0.332 nan 8.280 nan 0.000 0.520 317 A N 0.832 123.668 122.820 0.028 0.000 1.972 317 A HA -0.146 4.174 4.320 0.000 0.000 0.219 317 A C 2.103 179.649 177.584 -0.063 0.000 1.169 317 A CA 1.207 53.230 52.037 -0.023 0.000 0.635 317 A CB -0.361 18.665 19.000 0.043 0.000 0.810 317 A HN 0.571 nan 8.150 nan 0.000 0.446 318 Q N -1.067 118.708 119.800 -0.043 0.000 2.329 318 Q HA 0.279 4.619 4.340 0.000 0.000 0.208 318 Q C 0.984 176.948 176.000 -0.060 0.000 0.934 318 Q CA 0.235 56.016 55.803 -0.037 0.000 0.951 318 Q CB -0.134 28.596 28.738 -0.014 0.000 1.017 318 Q HN 0.812 nan 8.270 nan 0.000 0.490 319 G N 1.774 110.501 108.800 -0.122 0.000 2.168 319 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 319 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 319 G C -0.155 174.701 174.900 -0.073 0.000 0.997 319 G CA 0.323 45.346 45.100 -0.129 0.000 0.708 319 G HN 0.470 nan 8.290 nan 0.000 0.520 320 D N 0.762 121.134 120.400 -0.047 0.000 2.502 320 D HA 0.137 4.777 4.640 0.000 0.000 0.249 320 D C 0.194 176.503 176.300 0.015 0.000 1.188 320 D CA -0.642 53.353 54.000 -0.007 0.000 0.890 320 D CB 1.065 41.867 40.800 0.003 0.000 1.140 320 D HN 0.296 nan 8.370 nan 0.000 0.505 321 P HA 0.058 nan 4.420 nan 0.000 0.235 321 P C 0.552 177.878 177.300 0.044 0.000 1.177 321 P CA 0.128 63.248 63.100 0.034 0.000 0.785 321 P CB 0.375 32.087 31.700 0.020 0.000 0.885 322 A N -0.001 122.842 122.820 0.037 0.000 2.302 322 A HA 0.207 4.527 4.320 0.000 0.000 0.219 322 A C 1.057 178.673 177.584 0.052 0.000 1.243 322 A CA -0.177 51.883 52.037 0.039 0.000 0.856 322 A CB -0.909 18.110 19.000 0.032 0.000 0.893 322 A HN 0.150 nan 8.150 nan 0.000 0.491 323 L N 0.508 121.770 121.223 0.066 0.000 2.417 323 L HA 0.182 4.522 4.340 0.000 0.000 0.268 323 L C 1.069 178.026 176.870 0.145 0.000 1.158 323 L CA -0.321 54.571 54.840 0.087 0.000 0.819 323 L CB 1.285 43.349 42.059 0.009 0.000 1.112 323 L HN 0.300 nan 8.230 nan 0.000 0.458 324 S N 2.420 118.241 115.700 0.202 0.000 2.576 324 S HA 0.201 4.671 4.470 0.000 0.000 0.276 324 S C 0.596 175.252 174.600 0.093 0.000 1.339 324 S CA -0.322 57.932 58.200 0.091 0.000 1.039 324 S CB 0.594 63.805 63.200 0.019 0.000 0.902 324 S HN 0.627 nan 8.310 nan 0.000 0.516 325 M N 3.493 123.031 119.600 -0.104 0.000 2.404 325 M HA 0.143 4.623 4.480 0.000 0.000 0.271 325 M C 0.909 176.890 176.300 -0.532 0.000 1.128 325 M CA -0.114 55.124 55.300 -0.104 0.000 0.982 325 M CB 0.374 32.961 32.600 -0.021 0.000 1.445 325 M HN 0.840 nan 8.290 nan 0.000 0.495 326 S N -2.592 112.441 115.700 -1.112 0.000 2.560 326 S HA 0.204 4.674 4.470 0.000 0.000 0.281 326 S C 0.003 173.405 174.600 -1.996 0.000 1.075 326 S CA -0.469 56.849 58.200 -1.470 0.000 1.295 326 S CB 0.351 62.933 63.200 -1.030 0.000 1.156 326 S HN 0.428 nan 8.310 nan 0.000 0.627 327 H N -0.638 117.579 119.070 -1.422 0.000 2.806 327 H HA 0.564 5.120 4.556 0.000 0.000 0.367 327 H C -1.268 173.863 175.328 -0.328 0.000 1.136 327 H CA -0.696 54.874 56.048 -0.797 0.000 1.178 327 H CB 0.800 30.306 29.762 -0.426 0.000 1.718 327 H HN 0.324 nan 8.280 nan 0.000 0.540 328 W N 2.556 124.005 121.300 0.248 0.000 2.093 328 W HA 0.150 4.810 4.660 0.000 0.000 0.352 328 W C 0.682 177.371 176.519 0.282 0.000 1.294 328 W CA -0.647 56.928 57.345 0.382 0.000 1.290 328 W CB 0.526 30.295 29.460 0.515 0.000 1.149 328 W HN 0.408 nan 8.180 nan 0.000 0.606 329 M N 3.302 123.300 119.600 0.664 0.000 3.131 329 M HA 0.138 4.618 4.480 0.000 0.000 0.213 329 M C -1.030 175.552 176.300 0.470 0.000 1.307 329 M CA 0.244 55.802 55.300 0.431 0.000 1.263 329 M CB -1.087 31.721 32.600 0.346 0.000 1.419 329 M HN 0.298 nan 8.290 nan 0.000 0.446 330 F N -3.805 116.297 119.950 0.253 0.000 2.685 330 F HA 0.442 4.969 4.527 0.000 0.000 0.315 330 F C -0.429 175.448 175.800 0.129 0.000 1.126 330 F CA -1.487 56.640 58.000 0.211 0.000 0.950 330 F CB 0.728 39.952 39.000 0.373 0.000 1.360 330 F HN -0.090 nan 8.300 nan 0.000 0.469 331 H N 2.601 121.627 119.070 -0.072 0.000 3.224 331 H HA 0.197 4.753 4.556 0.000 0.000 0.265 331 H C 0.805 175.921 175.328 -0.355 0.000 1.461 331 H CA 0.768 56.645 56.048 -0.284 0.000 1.509 331 H CB 0.698 30.266 29.762 -0.323 0.000 1.686 331 H HN 0.832 nan 8.280 nan 0.000 0.514 332 Q N 2.236 121.754 119.800 -0.469 0.000 2.077 332 Q HA -0.257 4.083 4.340 0.000 0.000 0.206 332 Q C 2.189 178.193 176.000 0.006 0.000 0.989 332 Q CA 1.999 57.603 55.803 -0.333 0.000 0.853 332 Q CB 0.112 28.700 28.738 -0.250 0.000 0.907 332 Q HN 0.707 nan 8.270 nan 0.000 0.418 333 Q N 0.075 119.910 119.800 0.059 0.000 2.030 333 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 333 Q C 2.014 177.995 176.000 -0.032 0.000 0.986 333 Q CA 1.637 57.467 55.803 0.045 0.000 0.843 333 Q CB -0.241 28.542 28.738 0.075 0.000 0.904 333 Q HN 0.403 nan 8.270 nan 0.000 0.420 334 A N 0.664 123.369 122.820 -0.191 0.000 1.972 334 A HA -0.165 4.155 4.320 0.000 0.000 0.219 334 A C 1.973 179.556 177.584 -0.003 0.000 1.169 334 A CA 1.349 53.221 52.037 -0.275 0.000 0.635 334 A CB -0.636 17.974 19.000 -0.650 0.000 0.810 334 A HN 0.508 nan 8.150 nan 0.000 0.446 335 L N -0.281 121.012 121.223 0.116 0.000 2.072 335 L HA -0.133 4.207 4.340 0.000 0.000 0.205 335 L C 2.422 179.433 176.870 0.234 0.000 1.079 335 L CA 2.132 57.126 54.840 0.257 0.000 0.752 335 L CB -0.731 41.629 42.059 0.501 0.000 0.906 335 L HN 0.487 nan 8.230 nan 0.000 0.436 336 Q N -0.467 119.430 119.800 0.162 0.000 2.084 336 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 336 Q C 2.052 178.080 176.000 0.048 0.000 0.978 336 Q CA 2.026 57.889 55.803 0.100 0.000 0.844 336 Q CB -0.205 28.568 28.738 0.058 0.000 0.898 336 Q HN 0.646 nan 8.270 nan 0.000 0.426 337 E N 0.008 120.221 120.200 0.021 0.000 2.051 337 E HA -0.230 4.120 4.350 0.000 0.000 0.192 337 E C 1.778 178.391 176.600 0.022 0.000 0.991 337 E CA 1.185 57.565 56.400 -0.034 0.000 0.799 337 E CB -0.246 29.395 29.700 -0.098 0.000 0.748 337 E HN 0.341 nan 8.360 nan 0.000 0.449 338 Y N 1.556 121.869 120.300 0.022 0.000 2.128 338 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 338 Y C 1.954 177.865 175.900 0.018 0.000 1.154 338 Y CA 1.509 59.640 58.100 0.052 0.000 1.149 338 Y CB -0.211 38.285 38.460 0.060 0.000 0.976 338 Y HN -0.044 nan 8.280 nan 0.000 0.505 339 I N -0.440 120.123 120.570 -0.011 0.000 2.113 339 I HA -0.351 3.819 4.170 0.000 0.000 0.238 339 I C 2.354 178.384 176.117 -0.146 0.000 1.070 339 I CA 1.644 62.893 61.300 -0.086 0.000 1.332 339 I CB -0.578 37.459 38.000 0.061 0.000 1.044 339 I HN 0.227 nan 8.210 nan 0.000 0.402 340 L N -0.411 120.758 121.223 -0.090 0.000 2.046 340 L HA -0.226 4.114 4.340 0.000 0.000 0.208 340 L C 2.580 179.365 176.870 -0.141 0.000 1.077 340 L CA 1.504 56.294 54.840 -0.084 0.000 0.747 340 L CB -0.382 41.641 42.059 -0.059 0.000 0.896 340 L HN 0.292 nan 8.230 nan 0.000 0.432 341 M N -1.743 117.712 119.600 -0.243 0.000 2.287 341 M HA -0.094 4.386 4.480 0.000 0.000 0.266 341 M C 1.772 177.931 176.300 -0.234 0.000 1.079 341 M CA 1.088 56.185 55.300 -0.337 0.000 1.146 341 M CB 0.066 32.391 32.600 -0.458 0.000 1.374 341 M HN 0.365 nan 8.290 nan 0.000 0.435 342 C N -1.816 117.266 119.300 -0.362 0.000 3.228 342 C HA 0.215 4.675 4.460 0.000 0.000 0.290 342 C C 1.580 176.328 174.990 -0.404 0.000 1.301 342 C CA -0.717 58.052 59.018 -0.414 0.000 1.703 342 C CB -0.855 26.536 27.740 -0.582 0.000 2.141 342 C HN 0.551 nan 8.230 nan 0.000 0.656 343 C N 1.124 120.203 119.300 -0.367 0.000 2.881 343 C HA 0.249 4.710 4.460 0.000 0.000 0.290 343 C C 0.602 175.508 174.990 -0.140 0.000 1.362 343 C CA -0.115 58.752 59.018 -0.253 0.000 1.757 343 C CB -1.762 25.835 27.740 -0.238 0.000 2.265 343 C HN 0.615 nan 8.230 nan 0.000 0.600 344 Q N 0.025 119.768 119.800 -0.094 0.000 2.274 344 Q HA 0.444 4.784 4.340 0.000 0.000 0.260 344 Q C -0.673 175.307 176.000 -0.034 0.000 0.974 344 Q CA -0.125 55.672 55.803 -0.009 0.000 0.876 344 Q CB 2.068 30.841 28.738 0.059 0.000 1.297 344 Q HN 0.471 nan 8.270 nan 0.000 0.446 345 C N 3.553 122.837 119.300 -0.028 0.000 2.341 345 C HA 0.450 4.910 4.460 0.000 0.000 0.338 345 C C -1.488 173.452 174.990 -0.084 0.000 1.257 345 C CA -2.037 56.930 59.018 -0.086 0.000 1.883 345 C CB 0.431 28.075 27.740 -0.161 0.000 2.334 345 C HN 0.748 nan 8.230 nan 0.000 0.524 346 P HA -0.041 nan 4.420 nan 0.000 0.216 346 P C 1.122 178.372 177.300 -0.084 0.000 1.150 346 P CA 1.744 64.799 63.100 -0.075 0.000 0.837 346 P CB 0.111 31.776 31.700 -0.057 0.000 0.786 347 A N -1.147 121.615 122.820 -0.097 0.000 2.235 347 A HA 0.448 4.768 4.320 0.000 0.000 0.208 347 A C 1.050 178.552 177.584 -0.137 0.000 1.172 347 A CA 0.867 52.849 52.037 -0.093 0.000 0.786 347 A CB -1.055 17.890 19.000 -0.092 0.000 0.804 347 A HN 0.322 nan 8.150 nan 0.000 0.479 348 G N -2.871 105.823 108.800 -0.176 0.000 2.587 348 G HA2 0.530 4.490 3.960 0.000 0.000 0.686 348 G HA3 0.530 4.490 3.960 0.000 0.000 0.686 348 G C 0.430 175.079 174.900 -0.417 0.000 1.236 348 G CA -0.220 44.781 45.100 -0.165 0.000 0.820 348 G HN 2.434 nan 8.290 nan 0.000 0.645 349 G N -1.210 107.529 108.800 -0.101 0.000 2.712 349 G HA2 0.332 4.292 3.960 0.000 0.000 0.686 349 G HA3 0.332 4.292 3.960 0.000 0.000 0.686 349 G C -0.466 174.299 174.900 -0.225 0.000 1.321 349 G CA 0.126 45.012 45.100 -0.357 0.000 0.813 349 G HN 1.656 nan 8.290 nan 0.000 0.599 350 L N 0.031 121.119 121.223 -0.224 0.000 2.335 350 L HA 0.893 5.233 4.340 0.000 0.000 0.268 350 L C 0.900 177.688 176.870 -0.137 0.000 1.016 350 L CA -0.915 53.819 54.840 -0.178 0.000 0.805 350 L CB 1.463 43.398 42.059 -0.207 0.000 1.311 350 L HN 0.698 nan 8.230 nan 0.000 0.456 351 L N -1.040 120.096 121.223 -0.145 0.000 2.230 351 L HA 0.509 4.849 4.340 0.000 0.000 0.255 351 L C 0.436 177.143 176.870 -0.271 0.000 1.039 351 L CA -0.719 53.979 54.840 -0.237 0.000 0.846 351 L CB 1.149 43.088 42.059 -0.200 0.000 1.419 351 L HN 0.566 nan 8.230 nan 0.000 0.435 352 D N 0.144 120.265 120.400 -0.464 0.000 2.107 352 D HA -0.015 4.625 4.640 0.000 0.000 0.204 352 D C 0.068 176.383 176.300 0.025 0.000 0.978 352 D CA 1.396 55.248 54.000 -0.246 0.000 0.852 352 D CB 0.531 41.164 40.800 -0.277 0.000 1.008 352 D HN 0.592 nan 8.370 nan 0.000 0.458 353 K N -1.543 118.842 120.400 -0.025 0.000 2.571 353 K HA 0.457 4.777 4.320 0.000 0.000 0.289 353 K C -3.014 173.551 176.600 -0.058 0.000 1.028 353 K CA -1.729 54.581 56.287 0.038 0.000 0.895 353 K CB 1.096 33.681 32.500 0.142 0.000 1.534 353 K HN -0.336 nan 8.250 nan 0.000 0.421 354 P HA -0.079 nan 4.420 nan 0.000 0.257 354 P C 0.337 177.600 177.300 -0.062 0.000 1.153 354 P CA 2.197 65.248 63.100 -0.082 0.000 0.762 354 P CB -0.028 31.625 31.700 -0.077 0.000 0.743 355 G N 1.820 110.577 108.800 -0.071 0.000 2.249 355 G HA2 -0.286 3.674 3.960 0.000 0.000 0.273 355 G HA3 -0.286 3.674 3.960 0.000 0.000 0.273 355 G C 0.010 174.873 174.900 -0.060 0.000 1.036 355 G CA 0.454 45.517 45.100 -0.061 0.000 0.824 355 G HN 0.683 nan 8.290 nan 0.000 0.504 356 K N -0.019 120.332 120.400 -0.083 0.000 2.601 356 K HA 0.556 4.876 4.320 0.000 0.000 0.249 356 K C 0.316 176.819 176.600 -0.161 0.000 0.966 356 K CA 0.114 56.349 56.287 -0.088 0.000 0.827 356 K CB 1.009 33.474 32.500 -0.057 0.000 1.178 356 K HN 0.735 nan 8.250 nan 0.000 0.437 357 S N 2.423 118.044 115.700 -0.132 0.000 3.634 357 S HA -0.145 4.326 4.470 0.000 0.000 0.501 357 S C -0.654 173.842 174.600 -0.174 0.000 0.789 357 S CA 0.340 58.449 58.200 -0.153 0.000 1.378 357 S CB -0.773 62.293 63.200 -0.223 0.000 0.896 357 S HN 0.644 nan 8.310 nan 0.000 0.703 358 R N 2.347 122.788 120.500 -0.098 0.000 2.198 358 R HA 0.447 4.787 4.340 0.000 0.000 0.339 358 R C -0.349 175.950 176.300 -0.002 0.000 1.020 358 R CA -0.025 56.008 56.100 -0.111 0.000 0.864 358 R CB 0.112 30.308 30.300 -0.173 0.000 1.105 358 R HN 0.734 nan 8.270 nan 0.000 0.463 359 D N 1.724 122.165 120.400 0.068 0.000 2.665 359 D HA 0.117 4.757 4.640 0.000 0.000 0.287 359 D C 0.218 176.549 176.300 0.052 0.000 1.266 359 D CA -0.701 53.392 54.000 0.155 0.000 0.830 359 D CB 0.062 41.004 40.800 0.238 0.000 1.356 359 D HN 0.157 nan 8.370 nan 0.000 0.437 360 F N -0.825 119.277 119.950 0.252 0.000 2.269 360 F HA -0.038 4.489 4.527 0.000 0.000 0.301 360 F C 2.028 177.651 175.800 -0.295 0.000 1.082 360 F CA 0.684 58.714 58.000 0.049 0.000 1.360 360 F CB -0.553 38.515 39.000 0.114 0.000 1.041 360 F HN 0.479 nan 8.300 nan 0.000 0.512 361 Y N 0.563 120.454 120.300 -0.682 0.000 2.089 361 Y HA -0.274 4.276 4.550 0.000 0.000 0.282 361 Y C 2.519 178.104 175.900 -0.525 0.000 1.139 361 Y CA 2.064 59.413 58.100 -1.251 0.000 1.123 361 Y CB -1.020 36.682 38.460 -1.263 0.000 0.980 361 Y HN 0.080 nan 8.280 nan 0.000 0.493 362 H N -1.010 117.846 119.070 -0.357 0.000 2.421 362 H HA -0.099 4.457 4.556 0.000 0.000 0.298 362 H C 2.143 177.296 175.328 -0.291 0.000 1.087 362 H CA 1.900 57.761 56.048 -0.311 0.000 1.330 362 H CB -0.290 29.404 29.762 -0.114 0.000 1.388 362 H HN 0.329 nan 8.280 nan 0.000 0.526 363 T N -0.428 114.053 114.554 -0.123 0.000 2.708 363 T HA -0.252 4.098 4.350 0.000 0.000 0.266 363 T C 2.356 176.899 174.700 -0.261 0.000 1.037 363 T CA 1.324 63.331 62.100 -0.154 0.000 1.146 363 T CB -0.756 68.102 68.868 -0.017 0.000 0.865 363 T HN 0.571 nan 8.240 nan 0.000 0.435 364 C N 0.771 119.850 119.300 -0.369 0.000 2.413 364 C HA -0.133 4.327 4.460 0.000 0.000 0.277 364 C C 2.407 176.972 174.990 -0.709 0.000 1.228 364 C CA 0.608 59.299 59.018 -0.545 0.000 1.731 364 C CB -1.497 25.836 27.740 -0.679 0.000 2.042 364 C HN 0.603 nan 8.230 nan 0.000 0.468 365 Y N 0.173 120.192 120.300 -0.469 0.000 2.314 365 Y HA -0.011 4.539 4.550 0.000 0.000 0.293 365 Y C 2.875 178.599 175.900 -0.295 0.000 1.129 365 Y CA 1.456 59.251 58.100 -0.508 0.000 1.201 365 Y CB -1.137 36.838 38.460 -0.808 0.000 0.999 365 Y HN 0.400 nan 8.280 nan 0.000 0.541 366 C N -0.320 118.906 119.300 -0.124 0.000 2.446 366 C HA -0.121 4.339 4.460 0.000 0.000 0.277 366 C C 2.765 177.718 174.990 -0.061 0.000 1.275 366 C CA 0.757 59.749 59.018 -0.043 0.000 1.727 366 C CB -1.288 26.422 27.740 -0.051 0.000 2.010 366 C HN 0.506 nan 8.230 nan 0.000 0.486 367 L N 0.266 121.401 121.223 -0.146 0.000 2.027 367 L HA -0.125 4.215 4.340 0.000 0.000 0.206 367 L C 2.679 179.490 176.870 -0.098 0.000 1.074 367 L CA 1.412 56.168 54.840 -0.140 0.000 0.745 367 L CB -0.725 41.203 42.059 -0.218 0.000 0.898 367 L HN 0.280 nan 8.230 nan 0.000 0.433 368 S N 0.099 115.708 115.700 -0.153 0.000 2.370 368 S HA -0.150 4.320 4.470 0.000 0.000 0.226 368 S C 2.005 176.689 174.600 0.140 0.000 1.033 368 S CA 1.336 59.489 58.200 -0.078 0.000 1.011 368 S CB -0.640 62.340 63.200 -0.366 0.000 0.852 368 S HN 0.616 nan 8.310 nan 0.000 0.457 369 G N 1.654 110.544 108.800 0.150 0.000 2.418 369 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 369 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 369 G C 1.381 176.402 174.900 0.201 0.000 1.158 369 G CA 0.856 46.068 45.100 0.186 0.000 0.771 369 G HN 0.410 nan 8.290 nan 0.000 0.545 370 L N 1.229 122.540 121.223 0.146 0.000 2.012 370 L HA -0.022 4.318 4.340 0.000 0.000 0.210 370 L C 2.823 179.792 176.870 0.165 0.000 1.073 370 L CA 2.568 57.493 54.840 0.142 0.000 0.748 370 L CB -0.917 41.184 42.059 0.071 0.000 0.891 370 L HN 0.233 nan 8.230 nan 0.000 0.431 371 S N -1.055 114.746 115.700 0.170 0.000 2.399 371 S HA -0.099 4.371 4.470 0.000 0.000 0.231 371 S C 1.989 176.823 174.600 0.390 0.000 1.022 371 S CA 1.041 59.401 58.200 0.266 0.000 0.983 371 S CB -0.299 63.036 63.200 0.225 0.000 0.803 371 S HN 0.421 nan 8.310 nan 0.000 0.480 372 I N 1.842 122.620 120.570 0.346 0.000 2.233 372 I HA -0.034 4.136 4.170 0.000 0.000 0.243 372 I C 2.804 179.268 176.117 0.578 0.000 1.093 372 I CA 1.288 62.824 61.300 0.393 0.000 1.380 372 I CB -1.785 36.344 38.000 0.215 0.000 1.067 372 I HN 0.358 nan 8.210 nan 0.000 0.413 373 A N 0.074 123.210 122.820 0.528 0.000 2.070 373 A HA -0.202 4.118 4.320 0.000 0.000 0.220 373 A C 2.185 179.925 177.584 0.260 0.000 1.159 373 A CA 1.274 53.631 52.037 0.533 0.000 0.656 373 A CB -0.439 18.842 19.000 0.467 0.000 0.800 373 A HN 0.551 nan 8.150 nan 0.000 0.453 374 Q N -1.211 118.668 119.800 0.131 0.000 2.250 374 Q HA 0.022 4.362 4.340 0.000 0.000 0.200 374 Q C -0.272 175.558 176.000 -0.283 0.000 0.941 374 Q CA 0.607 56.309 55.803 -0.168 0.000 0.872 374 Q CB 0.111 28.605 28.738 -0.408 0.000 0.965 374 Q HN 0.870 nan 8.270 nan 0.000 0.480 375 H N -0.987 118.209 119.070 0.209 0.000 2.466 375 H HA 0.391 4.948 4.556 0.000 0.000 0.338 375 H C -1.540 173.943 175.328 0.258 0.000 1.091 375 H CA -0.690 55.462 56.048 0.173 0.000 1.207 375 H CB 1.149 31.010 29.762 0.165 0.000 1.466 375 H HN 0.007 nan 8.280 nan 0.000 0.493 376 F N 1.814 121.706 119.950 -0.097 0.000 2.532 376 F HA 0.748 5.275 4.527 0.000 0.000 0.321 376 F C -0.383 175.234 175.800 -0.305 0.000 1.089 376 F CA -0.427 57.194 58.000 -0.631 0.000 0.926 376 F CB 1.959 40.315 39.000 -1.072 0.000 1.168 376 F HN 0.663 nan 8.300 nan 0.000 0.459 377 G N 2.158 110.303 108.800 -1.093 0.000 2.761 377 G HA2 0.485 4.445 3.960 0.000 0.000 0.296 377 G HA3 0.485 4.445 3.960 0.000 0.000 0.296 377 G C -2.046 172.384 174.900 -0.783 0.000 1.416 377 G CA -0.745 44.021 45.100 -0.557 0.000 1.105 377 G HN 0.750 nan 8.290 nan 0.000 0.565 378 S N 0.861 116.294 115.700 -0.446 0.000 2.680 378 S HA 0.636 5.106 4.470 0.000 0.000 0.262 378 S C 0.853 175.381 174.600 -0.120 0.000 1.138 378 S CA 1.003 59.031 58.200 -0.286 0.000 1.072 378 S CB 0.264 63.339 63.200 -0.209 0.000 1.097 378 S HN 2.603 nan 8.310 nan 0.000 0.468 379 G N 4.154 112.901 108.800 -0.087 0.000 2.565 379 G HA2 -0.258 3.702 3.960 0.000 0.000 0.295 379 G HA3 -0.258 3.702 3.960 0.000 0.000 0.295 379 G C 1.090 175.995 174.900 0.008 0.000 1.165 379 G CA 0.377 45.471 45.100 -0.011 0.000 0.977 379 G HN 1.693 nan 8.290 nan 0.000 0.546 380 A N -0.472 122.366 122.820 0.029 0.000 2.081 380 A HA 0.527 4.847 4.320 0.000 0.000 0.214 380 A C 1.463 179.070 177.584 0.039 0.000 1.158 380 A CA 1.458 53.515 52.037 0.034 0.000 0.724 380 A CB -0.146 18.878 19.000 0.040 0.000 0.826 380 A HN 0.595 nan 8.150 nan 0.000 0.463 381 M N 0.957 120.590 119.600 0.054 0.000 2.217 381 M HA 0.393 4.873 4.480 0.000 0.000 0.352 381 M C -0.900 175.471 176.300 0.119 0.000 1.376 381 M CA 0.566 55.922 55.300 0.093 0.000 1.107 381 M CB -0.225 32.464 32.600 0.148 0.000 1.723 381 M HN 0.137 nan 8.290 nan 0.000 0.461 382 L N 3.321 124.612 121.223 0.114 0.000 2.408 382 L HA 0.533 4.873 4.340 0.000 0.000 0.268 382 L C -0.902 176.055 176.870 0.146 0.000 0.986 382 L CA -0.623 54.290 54.840 0.121 0.000 0.820 382 L CB 2.238 44.336 42.059 0.065 0.000 1.303 382 L HN 0.754 nan 8.230 nan 0.000 0.411 383 H N 1.154 120.225 119.070 0.001 0.000 3.188 383 H HA 0.348 4.904 4.556 0.000 0.000 0.325 383 H C -1.763 173.481 175.328 -0.140 0.000 1.033 383 H CA -0.503 55.468 56.048 -0.128 0.000 1.443 383 H CB 1.331 30.899 29.762 -0.324 0.000 1.968 383 H HN 0.481 nan 8.280 nan 0.000 0.449 384 D N 3.217 123.303 120.400 -0.524 0.000 2.294 384 D HA 0.440 5.080 4.640 0.000 0.000 0.250 384 D C -0.392 175.554 176.300 -0.591 0.000 1.058 384 D CA -0.401 53.339 54.000 -0.432 0.000 0.950 384 D CB 2.338 42.989 40.800 -0.248 0.000 1.158 384 D HN 0.252 nan 8.370 nan 0.000 0.453 385 V N 1.635 121.345 119.914 -0.341 0.000 2.501 385 V HA 0.138 4.258 4.120 0.000 0.000 0.277 385 V C -0.474 175.531 176.094 -0.149 0.000 1.004 385 V CA -0.708 61.466 62.300 -0.211 0.000 0.862 385 V CB 1.720 33.486 31.823 -0.095 0.000 1.035 385 V HN 0.262 nan 8.190 nan 0.000 0.448 386 V N 5.410 125.243 119.914 -0.134 0.000 2.277 386 V HA 0.422 4.542 4.120 0.000 0.000 0.269 386 V C 0.424 176.482 176.094 -0.060 0.000 1.036 386 V CA -0.462 61.779 62.300 -0.099 0.000 0.821 386 V CB 1.178 32.942 31.823 -0.098 0.000 1.052 386 V HN 0.675 nan 8.190 nan 0.000 0.462 387 M N 2.906 122.480 119.600 -0.042 0.000 2.240 387 M HA 0.478 4.959 4.480 0.000 0.000 0.333 387 M C 1.141 177.424 176.300 -0.029 0.000 1.110 387 M CA 1.094 56.374 55.300 -0.033 0.000 1.173 387 M CB 0.281 32.863 32.600 -0.030 0.000 1.458 387 M HN 0.916 nan 8.290 nan 0.000 0.458 388 G N 0.835 109.620 108.800 -0.027 0.000 2.598 388 G HA2 -0.143 3.817 3.960 0.000 0.000 0.244 388 G HA3 -0.143 3.817 3.960 0.000 0.000 0.244 388 G C -0.295 174.598 174.900 -0.011 0.000 1.302 388 G CA -0.279 44.813 45.100 -0.013 0.000 0.903 388 G HN 1.229 nan 8.290 nan 0.000 0.575 389 V N -1.612 118.300 119.914 -0.002 0.000 2.740 389 V HA 0.448 4.568 4.120 0.000 0.000 0.303 389 V C -0.429 175.658 176.094 -0.011 0.000 1.054 389 V CA 0.036 62.334 62.300 -0.004 0.000 1.106 389 V CB 0.902 32.727 31.823 0.002 0.000 0.957 389 V HN 0.577 nan 8.190 nan 0.000 0.486 390 P HA -0.122 nan 4.420 nan 0.000 0.218 390 P C 1.242 178.534 177.300 -0.013 0.000 1.146 390 P CA 1.404 64.493 63.100 -0.019 0.000 0.813 390 P CB 0.149 31.840 31.700 -0.016 0.000 0.778 391 E N -1.150 119.044 120.200 -0.009 0.000 2.401 391 E HA -0.127 4.223 4.350 0.000 0.000 0.199 391 E C 1.481 178.079 176.600 -0.003 0.000 1.023 391 E CA 0.601 56.996 56.400 -0.007 0.000 0.859 391 E CB -0.953 28.741 29.700 -0.009 0.000 0.780 391 E HN 0.266 nan 8.360 nan 0.000 0.523 392 N N 0.178 118.875 118.700 -0.004 0.000 2.453 392 N HA -0.063 4.677 4.740 0.000 0.000 0.183 392 N C -0.073 175.438 175.510 0.002 0.000 1.041 392 N CA 0.414 53.465 53.050 0.001 0.000 0.900 392 N CB -0.238 38.247 38.487 -0.004 0.000 0.961 392 N HN 0.093 nan 8.380 nan 0.000 0.443 393 V N 0.744 120.657 119.914 -0.001 0.000 2.557 393 V HA 0.039 4.159 4.120 0.000 0.000 0.301 393 V C 0.708 176.845 176.094 0.071 0.000 1.026 393 V CA -0.137 62.175 62.300 0.019 0.000 1.137 393 V CB -0.272 31.578 31.823 0.045 0.000 0.917 393 V HN -0.023 nan 8.190 nan 0.000 0.484 394 L N 3.402 124.704 121.223 0.131 0.000 2.352 394 L HA 0.470 4.810 4.340 0.000 0.000 0.269 394 L C 0.541 177.530 176.870 0.199 0.000 1.034 394 L CA -0.839 54.079 54.840 0.130 0.000 0.806 394 L CB 1.314 43.435 42.059 0.104 0.000 1.244 394 L HN 0.617 nan 8.230 nan 0.000 0.447 395 Q N 2.121 121.959 119.800 0.062 0.000 2.421 395 Q HA 0.196 4.536 4.340 0.000 0.000 0.255 395 Q C -2.205 173.757 176.000 -0.063 0.000 1.013 395 Q CA -1.401 54.395 55.803 -0.011 0.000 0.895 395 Q CB 0.277 29.002 28.738 -0.023 0.000 1.271 395 Q HN 0.283 nan 8.270 nan 0.000 0.460 396 P HA 0.083 nan 4.420 nan 0.000 0.277 396 P C -0.526 176.786 177.300 0.019 0.000 1.240 396 P CA -0.200 62.760 63.100 -0.234 0.000 0.798 396 P CB 0.959 32.434 31.700 -0.375 0.000 0.979 397 T N 0.561 115.189 114.554 0.123 0.000 2.856 397 T HA 0.186 4.536 4.350 0.000 0.000 0.283 397 T C -0.502 174.347 174.700 0.250 0.000 1.008 397 T CA -0.456 61.780 62.100 0.228 0.000 0.997 397 T CB 0.190 69.225 68.868 0.279 0.000 0.992 397 T HN 0.356 nan 8.240 nan 0.000 0.454 398 H N 5.898 125.107 119.070 0.232 0.000 2.848 398 H HA 0.192 4.748 4.556 0.000 0.000 0.317 398 H C -1.588 173.928 175.328 0.314 0.000 1.046 398 H CA -1.570 54.633 56.048 0.258 0.000 1.470 398 H CB 1.794 31.749 29.762 0.323 0.000 1.483 398 H HN 0.435 nan 8.280 nan 0.000 0.548 399 P HA -0.100 nan 4.420 nan 0.000 0.230 399 P C 1.201 178.827 177.300 0.543 0.000 1.158 399 P CA 0.442 63.754 63.100 0.354 0.000 0.769 399 P CB 0.682 32.415 31.700 0.056 0.000 0.807 400 V N -1.284 118.980 119.914 0.584 0.000 2.403 400 V HA -0.113 4.007 4.120 0.000 0.000 0.239 400 V C 2.248 178.560 176.094 0.365 0.000 1.041 400 V CA 1.514 63.979 62.300 0.275 0.000 1.051 400 V CB -1.280 30.474 31.823 -0.115 0.000 0.704 400 V HN -0.068 nan 8.190 nan 0.000 0.472 401 Y N -0.219 120.377 120.300 0.493 0.000 2.517 401 Y HA 0.222 4.773 4.550 0.000 0.000 0.281 401 Y C 1.422 177.568 175.900 0.410 0.000 1.125 401 Y CA 0.237 58.583 58.100 0.409 0.000 1.283 401 Y CB -0.292 38.222 38.460 0.090 0.000 1.042 401 Y HN 0.392 nan 8.280 nan 0.000 0.547 402 N N 0.705 119.719 118.700 0.523 0.000 2.738 402 N HA -0.200 4.540 4.740 0.000 0.000 0.249 402 N C -0.853 174.601 175.510 -0.093 0.000 1.047 402 N CA 0.949 54.101 53.050 0.171 0.000 0.707 402 N CB -1.458 36.974 38.487 -0.091 0.000 0.937 402 N HN 0.636 nan 8.380 nan 0.000 0.545 403 I N -4.242 116.420 120.570 0.152 0.000 3.074 403 I HA 0.755 4.925 4.170 0.000 0.000 0.310 403 I C 0.952 177.225 176.117 0.260 0.000 1.153 403 I CA -0.982 60.406 61.300 0.148 0.000 0.993 403 I CB 1.618 39.687 38.000 0.114 0.000 1.237 403 I HN 0.003 nan 8.210 nan 0.000 0.443 404 G N 2.525 111.462 108.800 0.229 0.000 2.353 404 G HA2 0.281 4.241 3.960 0.000 0.000 0.239 404 G HA3 0.281 4.241 3.960 0.000 0.000 0.239 404 G C -2.017 172.998 174.900 0.192 0.000 1.295 404 G CA -0.727 44.483 45.100 0.184 0.000 0.884 404 G HN 0.605 nan 8.290 nan 0.000 0.537 405 P HA -0.118 nan 4.420 nan 0.000 0.218 405 P C 1.619 179.017 177.300 0.164 0.000 1.148 405 P CA 1.454 64.705 63.100 0.251 0.000 0.822 405 P CB 0.214 32.014 31.700 0.167 0.000 0.784 406 D N -0.633 119.832 120.400 0.108 0.000 2.178 406 D HA -0.170 4.470 4.640 0.000 0.000 0.202 406 D C 1.388 177.732 176.300 0.074 0.000 0.974 406 D CA 1.248 55.293 54.000 0.076 0.000 0.841 406 D CB -0.501 40.330 40.800 0.051 0.000 0.953 406 D HN 0.083 nan 8.370 nan 0.000 0.478 407 K N 0.706 121.155 120.400 0.081 0.000 2.167 407 K HA 0.049 4.369 4.320 0.000 0.000 0.203 407 K C 2.450 179.076 176.600 0.043 0.000 1.052 407 K CA 0.200 56.529 56.287 0.070 0.000 0.956 407 K CB -0.567 31.976 32.500 0.072 0.000 0.735 407 K HN 0.166 nan 8.250 nan 0.000 0.451 408 V N 1.986 121.916 119.914 0.026 0.000 2.237 408 V HA -0.219 3.901 4.120 0.000 0.000 0.245 408 V C 2.381 178.456 176.094 -0.031 0.000 1.046 408 V CA 1.569 63.818 62.300 -0.087 0.000 1.007 408 V CB -0.448 31.321 31.823 -0.091 0.000 0.638 408 V HN 0.138 nan 8.190 nan 0.000 0.445 409 I N -0.348 120.250 120.570 0.045 0.000 2.194 409 I HA -0.364 3.806 4.170 0.000 0.000 0.246 409 I C 2.678 178.810 176.117 0.026 0.000 1.093 409 I CA 1.960 63.288 61.300 0.048 0.000 1.355 409 I CB -0.400 37.642 38.000 0.071 0.000 1.046 409 I HN 0.407 nan 8.210 nan 0.000 0.413 410 Q N 0.575 120.398 119.800 0.039 0.000 2.050 410 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 410 Q C 2.384 178.376 176.000 -0.015 0.000 0.980 410 Q CA 1.923 57.755 55.803 0.048 0.000 0.840 410 Q CB -0.111 28.686 28.738 0.099 0.000 0.898 410 Q HN 0.577 nan 8.270 nan 0.000 0.424 411 A N 0.355 123.162 122.820 -0.021 0.000 1.858 411 A HA -0.231 4.090 4.320 0.000 0.000 0.216 411 A C 2.296 179.810 177.584 -0.116 0.000 1.190 411 A CA 2.356 54.284 52.037 -0.183 0.000 0.617 411 A CB -1.444 17.579 19.000 0.038 0.000 0.827 411 A HN 0.666 nan 8.150 nan 0.000 0.443 412 T N -3.092 111.446 114.554 -0.026 0.000 2.720 412 T HA -0.176 4.174 4.350 0.000 0.000 0.268 412 T C 1.802 176.501 174.700 -0.002 0.000 1.037 412 T CA 2.310 64.419 62.100 0.016 0.000 1.144 412 T CB -1.228 67.637 68.868 -0.004 0.000 0.864 412 T HN 0.312 nan 8.240 nan 0.000 0.444 413 T N 0.698 115.237 114.554 -0.025 0.000 2.759 413 T HA -0.116 4.234 4.350 0.000 0.000 0.269 413 T C 1.710 176.371 174.700 -0.065 0.000 1.042 413 T CA 1.798 63.883 62.100 -0.025 0.000 1.140 413 T CB -0.537 68.327 68.868 -0.007 0.000 0.864 413 T HN 0.811 nan 8.240 nan 0.000 0.455 414 H N 0.040 118.938 119.070 -0.286 0.000 2.333 414 H HA 0.063 4.619 4.556 0.000 0.000 0.302 414 H C 1.626 176.692 175.328 -0.437 0.000 1.075 414 H CA 1.374 57.149 56.048 -0.455 0.000 1.348 414 H CB -0.399 28.815 29.762 -0.914 0.000 1.393 414 H HN 0.304 nan 8.280 nan 0.000 0.509 415 F N 0.125 119.895 119.950 -0.300 0.000 2.407 415 F HA 0.055 4.582 4.527 0.000 0.000 0.299 415 F C 1.913 177.596 175.800 -0.195 0.000 1.097 415 F CA 0.499 58.325 58.000 -0.290 0.000 1.422 415 F CB -0.177 38.716 39.000 -0.178 0.000 1.067 415 F HN 0.176 nan 8.300 nan 0.000 0.539 416 L N -0.201 121.022 121.223 0.001 0.000 2.610 416 L HA -0.070 4.271 4.340 0.000 0.000 0.232 416 L C 1.913 178.757 176.870 -0.044 0.000 1.149 416 L CA 0.310 55.146 54.840 -0.007 0.000 0.872 416 L CB -0.331 41.727 42.059 -0.000 0.000 0.992 416 L HN 0.123 nan 8.230 nan 0.000 0.447 417 Q N 0.288 120.027 119.800 -0.103 0.000 2.389 417 Q HA 0.028 4.368 4.340 0.000 0.000 0.204 417 Q C 0.292 176.243 176.000 -0.082 0.000 0.944 417 Q CA 0.698 56.440 55.803 -0.102 0.000 0.908 417 Q CB 0.160 28.800 28.738 -0.163 0.000 1.002 417 Q HN 0.419 nan 8.270 nan 0.000 0.493 418 K N 2.071 122.426 120.400 -0.075 0.000 2.138 418 K HA 0.330 4.650 4.320 0.000 0.000 0.263 418 K C -2.396 174.197 176.600 -0.012 0.000 0.965 418 K CA -1.878 54.387 56.287 -0.036 0.000 0.868 418 K CB 1.161 33.655 32.500 -0.011 0.000 1.083 418 K HN -0.093 nan 8.250 nan 0.000 0.443 419 P HA 0.046 nan 4.420 nan 0.000 0.278 419 P C -0.310 176.981 177.300 -0.014 0.000 1.238 419 P CA -0.454 62.639 63.100 -0.011 0.000 0.794 419 P CB 0.799 32.491 31.700 -0.012 0.000 0.955 420 V N 4.861 124.763 119.914 -0.020 0.000 2.673 420 V HA 0.020 4.140 4.120 0.000 0.000 0.303 420 V C -1.592 174.471 176.094 -0.053 0.000 1.046 420 V CA -0.560 61.720 62.300 -0.034 0.000 1.126 420 V CB -0.642 31.161 31.823 -0.033 0.000 0.934 420 V HN 0.634 nan 8.190 nan 0.000 0.487 421 P HA 0.530 nan 4.420 nan 0.000 0.272 421 P C -0.066 177.115 177.300 -0.197 0.000 1.240 421 P CA 0.008 63.054 63.100 -0.089 0.000 0.791 421 P CB 0.700 32.365 31.700 -0.059 0.000 0.978 422 G N -0.360 108.294 108.800 -0.244 0.000 2.673 422 G HA2 0.526 4.486 3.960 0.000 0.000 0.292 422 G HA3 0.526 4.486 3.960 0.000 0.000 0.292 422 G C -1.906 172.834 174.900 -0.267 0.000 1.450 422 G CA -0.502 44.362 45.100 -0.392 0.000 0.837 422 G HN 0.142 nan 8.290 nan 0.000 0.505 423 F N 1.170 121.099 119.950 -0.034 0.000 2.334 423 F HA 0.410 4.937 4.527 0.000 0.000 0.367 423 F C 1.393 177.164 175.800 -0.049 0.000 1.115 423 F CA -1.305 56.661 58.000 -0.057 0.000 1.116 423 F CB 1.517 40.451 39.000 -0.110 0.000 1.230 423 F HN 0.651 nan 8.300 nan 0.000 0.484 424 E N 1.639 121.914 120.200 0.126 0.000 2.085 424 E HA -0.231 4.119 4.350 0.000 0.000 0.194 424 E C 1.953 178.580 176.600 0.045 0.000 0.994 424 E CA 1.616 58.051 56.400 0.059 0.000 0.801 424 E CB -0.050 29.674 29.700 0.041 0.000 0.743 424 E HN 0.653 nan 8.360 nan 0.000 0.453 425 E N 0.710 120.938 120.200 0.046 0.000 2.267 425 E HA -0.207 4.143 4.350 0.000 0.000 0.197 425 E C 1.760 178.368 176.600 0.012 0.000 0.998 425 E CA 1.112 57.520 56.400 0.014 0.000 0.830 425 E CB -0.484 29.209 29.700 -0.011 0.000 0.751 425 E HN 0.309 nan 8.360 nan 0.000 0.491 426 C N 0.924 120.247 119.300 0.039 0.000 2.481 426 C HA 0.124 4.584 4.460 0.000 0.000 0.275 426 C C 2.151 177.148 174.990 0.012 0.000 1.419 426 C CA 0.285 59.318 59.018 0.025 0.000 1.773 426 C CB -0.632 27.143 27.740 0.059 0.000 1.862 426 C HN 0.457 nan 8.230 nan 0.000 0.530 427 E N 0.755 120.963 120.200 0.013 0.000 2.389 427 E HA -0.010 4.340 4.350 0.000 0.000 0.199 427 E C 0.052 176.653 176.600 0.001 0.000 0.978 427 E CA 0.075 56.477 56.400 0.004 0.000 0.912 427 E CB 0.158 29.860 29.700 0.003 0.000 0.907 427 E HN 0.739 nan 8.360 nan 0.000 0.494 428 D N 0.822 121.223 120.400 0.002 0.000 2.384 428 D HA 0.180 4.820 4.640 0.000 0.000 0.244 428 D C 0.070 176.367 176.300 -0.004 0.000 1.251 428 D CA -0.411 53.588 54.000 -0.001 0.000 0.961 428 D CB 0.458 41.257 40.800 -0.002 0.000 1.116 428 D HN -0.039 nan 8.370 nan 0.000 0.484 429 A N 0.097 122.913 122.820 -0.005 0.000 2.531 429 A HA 0.324 4.645 4.320 0.000 0.000 0.236 429 A C 0.289 177.868 177.584 -0.009 0.000 1.062 429 A CA -0.678 51.355 52.037 -0.007 0.000 0.760 429 A CB 0.016 19.012 19.000 -0.006 0.000 0.995 429 A HN 0.422 nan 8.150 nan 0.000 0.501 430 V N 2.650 122.558 119.914 -0.010 0.000 2.637 430 V HA 0.352 4.472 4.120 0.000 0.000 0.296 430 V C 1.159 177.246 176.094 -0.012 0.000 1.046 430 V CA 0.722 63.015 62.300 -0.012 0.000 1.066 430 V CB 0.811 32.627 31.823 -0.012 0.000 0.968 430 V HN 1.168 nan 8.190 nan 0.000 0.483 431 T N 0.908 115.454 114.554 -0.013 0.000 2.949 431 T HA 0.689 5.039 4.350 0.000 0.000 0.287 431 T C 0.353 175.045 174.700 -0.014 0.000 1.034 431 T CA 0.068 62.160 62.100 -0.013 0.000 1.018 431 T CB 2.023 70.882 68.868 -0.014 0.000 1.135 431 T HN 0.838 nan 8.240 nan 0.000 0.532 432 S N -1.505 114.187 115.700 -0.013 0.000 2.423 432 S HA 0.213 4.683 4.470 0.000 0.000 0.243 432 S C -0.780 173.813 174.600 -0.012 0.000 0.939 432 S CA -0.312 57.881 58.200 -0.013 0.000 1.552 432 S CB -0.099 63.094 63.200 -0.012 0.000 1.245 432 S HN 0.802 nan 8.310 nan 0.000 0.635 433 D N 1.699 122.093 120.400 -0.011 0.000 2.788 433 D HA 0.558 5.198 4.640 0.000 0.000 0.247 433 D C -2.286 174.008 176.300 -0.010 0.000 1.236 433 D CA -1.823 52.171 54.000 -0.010 0.000 0.898 433 D CB 2.325 43.120 40.800 -0.009 0.000 1.401 433 D HN -0.145 nan 8.370 nan 0.000 0.549 434 P HA -0.109 nan 4.420 nan 0.000 0.216 434 P C 1.150 178.445 177.300 -0.009 0.000 1.153 434 P CA 1.561 64.655 63.100 -0.010 0.000 0.858 434 P CB 0.210 31.904 31.700 -0.010 0.000 0.789 435 A N -0.150 122.665 122.820 -0.008 0.000 1.971 435 A HA -0.267 4.054 4.320 0.000 0.000 0.222 435 A C 2.143 179.723 177.584 -0.007 0.000 1.182 435 A CA 2.753 54.786 52.037 -0.007 0.000 0.649 435 A CB -2.082 16.914 19.000 -0.007 0.000 0.818 435 A HN 0.413 nan 8.150 nan 0.000 0.458 436 T N -0.796 113.754 114.554 -0.007 0.000 3.160 436 T HA 0.096 4.446 4.350 0.000 0.000 0.257 436 T C 0.485 175.181 174.700 -0.007 0.000 1.147 436 T CA 0.383 62.478 62.100 -0.007 0.000 1.064 436 T CB -0.840 68.024 68.868 -0.007 0.000 0.949 436 T HN 0.643 nan 8.240 nan 0.000 0.526 437 D N 0.000 120.395 120.400 -0.008 0.000 6.856 437 D HA 0.000 4.640 4.640 0.000 0.000 0.175 437 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 437 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683