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 1w1p_1_A DATA FIRST_RESID 2 DATA SEQUENCE STRKAVIGYY FIPTNQINNY TETDTSVVPF PVSNITPAKA KQLTHINFSF DATA SEQUENCE LDINSNLECA WDPATNDAKA RDVVNRLTAL KAHNPSLRIM FSIGGWYYSN DATA SEQUENCE DLGVSHANYV NAVKTPASRA KFAQSCVRIM KDYGFDGVDI DWEYPQAAEV DATA SEQUENCE DGFIAALQEI RTLLNQQTIT DGRQALPYQL TIAGAGGAFF LSRYYSKLAQ DATA SEQUENCE IVAPLDYINL MTYDLAGPWE KVTNHQAALF GDAAGPTFYN ALREANLGWS DATA SEQUENCE WEELTRAFPS PFSLTVDAAV QQHLMMEGVP SAKIVMGVPF YGRAFKGVSG DATA SEQUENCE GNGGQYSSHS TPGEDPYPST DYWLVGCEEC VRDKDPRIAS YRQLEQMLQG DATA SEQUENCE NYGYQRLWND KTKTPYLYHA QNGLFVTYDD AESFKYKAKY IKQQQLGGVM DATA SEQUENCE FWHLGQDNRN GDLLAALDRY FNAADYDDSQ LDMGTGLRYT GVGPGNLPIM DATA SEQUENCE TAPAYVPGTT YAQGALVSYQ GYVWQTKWGY ITSAPGSDSA WLKVGRVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.025 0.000 1.055 2 S CA 0.000 58.217 58.200 0.029 0.000 1.107 2 S CB 0.000 63.218 63.200 0.029 0.000 0.593 3 T N 3.566 118.131 114.554 0.019 0.000 2.884 3 T HA 0.358 4.708 4.350 -0.000 0.000 0.298 3 T C 0.127 174.832 174.700 0.009 0.000 0.998 3 T CA -0.205 61.908 62.100 0.023 0.000 1.124 3 T CB 0.864 69.750 68.868 0.030 0.000 0.931 3 T HN 0.489 nan 8.240 nan 0.000 0.531 4 R N 2.583 123.095 120.500 0.020 0.000 2.570 4 R HA 0.032 4.372 4.340 -0.000 0.000 0.277 4 R C -0.040 176.230 176.300 -0.049 0.000 1.039 4 R CA -0.212 55.890 56.100 0.003 0.000 1.065 4 R CB 0.341 30.663 30.300 0.036 0.000 0.964 4 R HN 0.331 nan 8.270 nan 0.000 0.428 5 K N 2.587 122.877 120.400 -0.183 0.000 2.298 5 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 5 K C -0.246 176.233 176.600 -0.202 0.000 1.032 5 K CA -0.057 56.014 56.287 -0.361 0.000 0.958 5 K CB 1.391 33.243 32.500 -1.079 0.000 0.978 5 K HN 0.716 nan 8.250 nan 0.000 0.472 6 A N 2.109 124.816 122.820 -0.187 0.000 2.407 6 A HA 0.325 4.645 4.320 -0.000 0.000 0.248 6 A C -0.277 177.275 177.584 -0.054 0.000 1.082 6 A CA -0.413 51.538 52.037 -0.143 0.000 0.785 6 A CB 0.381 19.053 19.000 -0.547 0.000 1.020 6 A HN 0.362 nan 8.150 nan 0.000 0.489 7 V N 4.221 124.178 119.914 0.071 0.000 2.385 7 V HA 0.257 4.377 4.120 -0.000 0.000 0.277 7 V C -0.541 175.602 176.094 0.083 0.000 1.012 7 V CA 0.044 62.440 62.300 0.160 0.000 0.832 7 V CB 0.730 32.709 31.823 0.261 0.000 1.028 7 V HN 0.704 nan 8.190 nan 0.000 0.436 8 I N 4.145 124.677 120.570 -0.062 0.000 2.306 8 I HA 0.595 4.765 4.170 -0.000 0.000 0.288 8 I C 0.862 176.643 176.117 -0.559 0.000 1.036 8 I CA -0.137 61.034 61.300 -0.215 0.000 1.221 8 I CB 1.530 39.365 38.000 -0.275 0.000 1.385 8 I HN 0.644 nan 8.210 nan 0.000 0.472 9 G N 5.356 113.740 108.800 -0.693 0.000 2.372 9 G HA2 0.482 4.442 3.960 -0.000 0.000 0.323 9 G HA3 0.482 4.442 3.960 -0.000 0.000 0.323 9 G C -1.207 173.364 174.900 -0.549 0.000 1.152 9 G CA -0.334 43.984 45.100 -1.304 0.000 0.906 9 G HN 0.332 nan 8.290 nan 0.000 0.460 10 Y N 0.885 120.912 120.300 -0.456 0.000 2.359 10 Y HA 0.266 4.816 4.550 -0.000 0.000 0.330 10 Y C -0.232 175.575 175.900 -0.155 0.000 1.143 10 Y CA 0.195 58.182 58.100 -0.189 0.000 1.318 10 Y CB 1.225 39.641 38.460 -0.072 0.000 1.234 10 Y HN 0.524 nan 8.280 nan 0.000 0.522 11 Y N 6.133 126.399 120.300 -0.057 0.000 2.402 11 Y HA 0.365 4.915 4.550 -0.000 0.000 0.332 11 Y C -1.690 174.122 175.900 -0.147 0.000 0.960 11 Y CA -1.655 56.445 58.100 -0.000 0.000 1.228 11 Y CB 0.179 38.740 38.460 0.167 0.000 1.120 11 Y HN 0.495 nan 8.280 nan 0.000 0.491 12 F N 8.321 127.687 119.950 -0.972 0.000 2.427 12 F HA 0.650 5.177 4.527 -0.000 0.000 0.346 12 F C -1.529 173.831 175.800 -0.732 0.000 1.120 12 F CA -1.636 55.851 58.000 -0.854 0.000 1.033 12 F CB 0.873 39.328 39.000 -0.908 0.000 1.126 12 F HN 0.450 nan 8.300 nan 0.000 0.462 13 I N 9.310 129.142 120.570 -1.231 0.000 2.500 13 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 13 I C -2.519 173.109 176.117 -0.815 0.000 1.063 13 I CA -2.514 58.268 61.300 -0.864 0.000 1.062 13 I CB 2.122 40.032 38.000 -0.151 0.000 1.223 13 I HN 0.421 nan 8.210 nan 0.000 0.435 14 P HA 0.088 nan 4.420 nan 0.000 0.269 14 P C 0.538 177.806 177.300 -0.053 0.000 1.209 14 P CA 0.017 62.919 63.100 -0.330 0.000 0.776 14 P CB 0.891 32.475 31.700 -0.194 0.000 0.876 15 T N 2.370 116.974 114.554 0.083 0.000 2.649 15 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 15 T C 1.580 176.348 174.700 0.112 0.000 1.036 15 T CA 2.577 64.770 62.100 0.155 0.000 1.157 15 T CB -1.118 67.867 68.868 0.194 0.000 0.861 15 T HN 0.701 nan 8.240 nan 0.000 0.445 16 N N 1.128 119.874 118.700 0.076 0.000 2.364 16 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 16 N C 1.724 177.271 175.510 0.063 0.000 1.022 16 N CA 1.178 54.266 53.050 0.064 0.000 0.883 16 N CB -0.384 38.130 38.487 0.045 0.000 0.965 16 N HN 0.465 nan 8.380 nan 0.000 0.438 17 Q N -0.416 119.418 119.800 0.057 0.000 2.269 17 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 17 Q C 1.800 177.908 176.000 0.180 0.000 0.946 17 Q CA 0.572 56.424 55.803 0.081 0.000 0.877 17 Q CB 0.111 28.873 28.738 0.039 0.000 0.963 17 Q HN 0.513 nan 8.270 nan 0.000 0.472 18 I N 1.081 121.760 120.570 0.183 0.000 2.193 18 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 18 I C 1.348 177.564 176.117 0.166 0.000 1.084 18 I CA 0.763 62.193 61.300 0.217 0.000 1.365 18 I CB -0.257 37.868 38.000 0.208 0.000 1.064 18 I HN 0.176 nan 8.210 nan 0.000 0.410 19 N N 1.367 120.138 118.700 0.118 0.000 2.513 19 N HA -0.140 4.600 4.740 -0.000 0.000 0.187 19 N C 0.578 176.139 175.510 0.085 0.000 1.056 19 N CA 0.945 54.045 53.050 0.083 0.000 0.907 19 N CB -0.360 38.168 38.487 0.069 0.000 0.954 19 N HN 0.460 nan 8.380 nan 0.000 0.445 20 N N -0.875 117.889 118.700 0.107 0.000 2.240 20 N HA -0.033 4.706 4.740 -0.000 0.000 0.240 20 N C -0.563 175.005 175.510 0.097 0.000 1.277 20 N CA -0.333 52.765 53.050 0.080 0.000 0.873 20 N CB 0.501 39.016 38.487 0.047 0.000 1.222 20 N HN 0.163 nan 8.380 nan 0.000 0.507 21 Y N 2.502 122.820 120.300 0.029 0.000 2.993 21 Y HA -0.044 4.506 4.550 -0.000 0.000 0.340 21 Y C 0.750 176.662 175.900 0.020 0.000 1.273 21 Y CA 1.166 59.286 58.100 0.034 0.000 1.545 21 Y CB 0.463 38.949 38.460 0.044 0.000 1.275 21 Y HN -0.035 nan 8.280 nan 0.000 0.617 22 T N 4.342 118.482 114.554 -0.690 0.000 2.827 22 T HA 0.288 4.638 4.350 -0.000 0.000 0.328 22 T C -0.759 173.572 174.700 -0.615 0.000 1.598 22 T CA -0.665 61.172 62.100 -0.438 0.000 1.043 22 T CB 1.063 69.815 68.868 -0.194 0.000 1.447 22 T HN 0.738 nan 8.240 nan 0.000 0.491 23 E N 1.286 121.289 120.200 -0.328 0.000 2.693 23 E HA 0.168 4.518 4.350 -0.000 0.000 0.214 23 E C 0.623 177.144 176.600 -0.132 0.000 0.990 23 E CA 0.140 56.397 56.400 -0.240 0.000 1.047 23 E CB 0.787 30.415 29.700 -0.119 0.000 1.039 23 E HN 0.730 nan 8.360 nan 0.000 0.475 24 T N -2.517 111.966 114.554 -0.118 0.000 3.043 24 T HA 0.106 4.456 4.350 -0.000 0.000 0.272 24 T C 0.221 174.884 174.700 -0.062 0.000 0.990 24 T CA -0.351 61.706 62.100 -0.071 0.000 0.897 24 T CB 0.490 69.328 68.868 -0.050 0.000 1.111 24 T HN -0.147 nan 8.240 nan 0.000 0.529 25 D N 0.829 121.181 120.400 -0.080 0.000 2.330 25 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 25 D C 0.838 177.105 176.300 -0.055 0.000 1.306 25 D CA -0.178 53.787 54.000 -0.057 0.000 0.956 25 D CB 1.607 42.377 40.800 -0.049 0.000 1.261 25 D HN -0.091 nan 8.370 nan 0.000 0.544 26 T N 0.467 114.999 114.554 -0.037 0.000 2.714 26 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 26 T C 1.989 176.679 174.700 -0.016 0.000 1.036 26 T CA 2.241 64.329 62.100 -0.019 0.000 1.148 26 T CB -0.041 68.826 68.868 -0.002 0.000 0.856 26 T HN 0.537 nan 8.240 nan 0.000 0.462 27 S N 0.482 116.171 115.700 -0.018 0.000 2.420 27 S HA -0.112 4.358 4.470 -0.000 0.000 0.237 27 S C 1.988 176.578 174.600 -0.017 0.000 1.023 27 S CA 1.413 59.604 58.200 -0.015 0.000 0.991 27 S CB -0.576 62.616 63.200 -0.013 0.000 0.792 27 S HN 0.390 nan 8.310 nan 0.000 0.488 28 V N 0.005 119.903 119.914 -0.027 0.000 2.627 28 V HA 0.291 4.411 4.120 -0.000 0.000 0.239 28 V C 0.693 176.767 176.094 -0.033 0.000 1.077 28 V CA 0.467 62.751 62.300 -0.028 0.000 1.103 28 V CB 0.276 32.078 31.823 -0.036 0.000 0.802 28 V HN 0.403 nan 8.190 nan 0.000 0.482 29 V N 2.095 121.973 119.914 -0.061 0.000 2.276 29 V HA 0.285 4.405 4.120 -0.000 0.000 0.268 29 V C -1.761 174.320 176.094 -0.022 0.000 1.032 29 V CA -0.988 61.276 62.300 -0.060 0.000 0.810 29 V CB 1.145 32.856 31.823 -0.188 0.000 1.060 29 V HN 0.318 nan 8.190 nan 0.000 0.446 30 P HA -0.156 nan 4.420 nan 0.000 0.216 30 P C 0.314 177.727 177.300 0.189 0.000 1.153 30 P CA 1.397 64.550 63.100 0.088 0.000 0.858 30 P CB 0.189 31.943 31.700 0.091 0.000 0.789 31 F N 0.764 120.741 119.950 0.044 0.000 2.453 31 F HA 0.402 4.929 4.527 -0.000 0.000 0.358 31 F C -2.533 173.406 175.800 0.231 0.000 1.129 31 F CA -3.187 54.885 58.000 0.119 0.000 1.200 31 F CB 0.645 39.720 39.000 0.125 0.000 1.431 31 F HN -0.154 nan 8.300 nan 0.000 0.503 32 P HA 0.066 nan 4.420 nan 0.000 0.274 32 P C 0.979 178.220 177.300 -0.099 0.000 1.246 32 P CA -0.099 62.986 63.100 -0.023 0.000 0.795 32 P CB 1.895 33.490 31.700 -0.175 0.000 1.006 33 V N 1.094 121.080 119.914 0.120 0.000 2.490 33 V HA -0.226 3.893 4.120 -0.000 0.000 0.250 33 V C 2.598 178.638 176.094 -0.091 0.000 1.061 33 V CA 2.677 64.928 62.300 -0.082 0.000 1.064 33 V CB -1.701 30.067 31.823 -0.092 0.000 0.670 33 V HN 0.727 nan 8.190 nan 0.000 0.461 34 S N -0.097 115.575 115.700 -0.046 0.000 2.469 34 S HA -0.197 4.273 4.470 -0.000 0.000 0.238 34 S C 1.579 176.125 174.600 -0.091 0.000 0.998 34 S CA 1.521 59.694 58.200 -0.044 0.000 0.957 34 S CB -0.844 62.342 63.200 -0.023 0.000 0.764 34 S HN 0.740 nan 8.310 nan 0.000 0.514 35 N N 0.823 119.392 118.700 -0.218 0.000 2.459 35 N HA 0.146 4.886 4.740 -0.000 0.000 0.181 35 N C -0.098 175.377 175.510 -0.057 0.000 1.046 35 N CA 0.499 53.415 53.050 -0.223 0.000 0.904 35 N CB -0.063 38.079 38.487 -0.574 0.000 0.964 35 N HN 0.483 nan 8.380 nan 0.000 0.444 36 I N 2.599 123.146 120.570 -0.039 0.000 2.213 36 I HA -0.001 4.169 4.170 -0.000 0.000 0.295 36 I C 0.881 177.028 176.117 0.050 0.000 1.172 36 I CA -0.365 60.997 61.300 0.104 0.000 1.443 36 I CB -0.242 37.834 38.000 0.128 0.000 1.491 36 I HN 0.014 nan 8.210 nan 0.000 0.652 37 T N 2.148 116.723 114.554 0.034 0.000 2.734 37 T HA 0.102 4.452 4.350 -0.000 0.000 0.314 37 T C -1.565 173.078 174.700 -0.094 0.000 1.057 37 T CA -1.091 60.992 62.100 -0.030 0.000 1.047 37 T CB 0.604 69.461 68.868 -0.018 0.000 0.991 37 T HN 0.179 nan 8.240 nan 0.000 0.540 38 P HA -0.070 nan 4.420 nan 0.000 0.216 38 P C 1.732 178.927 177.300 -0.175 0.000 1.150 38 P CA 1.683 64.484 63.100 -0.499 0.000 0.843 38 P CB -0.376 30.900 31.700 -0.706 0.000 0.787 39 A N -0.024 122.738 122.820 -0.097 0.000 1.908 39 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 39 A C 2.072 179.668 177.584 0.020 0.000 1.181 39 A CA 1.961 53.983 52.037 -0.026 0.000 0.627 39 A CB -1.052 17.941 19.000 -0.012 0.000 0.818 39 A HN 0.177 nan 8.150 nan 0.000 0.445 40 K N -0.427 120.000 120.400 0.044 0.000 2.103 40 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 40 K C 2.236 178.907 176.600 0.118 0.000 1.052 40 K CA 0.932 57.281 56.287 0.105 0.000 0.945 40 K CB -0.285 32.309 32.500 0.157 0.000 0.722 40 K HN 0.424 nan 8.250 nan 0.000 0.443 41 A N 1.855 124.730 122.820 0.092 0.000 2.019 41 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 41 A C 1.756 179.404 177.584 0.107 0.000 1.164 41 A CA 1.436 53.542 52.037 0.115 0.000 0.644 41 A CB -0.217 18.868 19.000 0.141 0.000 0.805 41 A HN 0.185 nan 8.150 nan 0.000 0.449 42 K N -0.509 119.941 120.400 0.085 0.000 2.296 42 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 42 K C 1.744 178.394 176.600 0.084 0.000 1.048 42 K CA 1.065 57.400 56.287 0.079 0.000 0.966 42 K CB -0.002 32.533 32.500 0.059 0.000 0.754 42 K HN 0.615 nan 8.250 nan 0.000 0.466 43 Q N 0.107 119.964 119.800 0.096 0.000 2.392 43 Q HA 0.142 4.482 4.340 -0.000 0.000 0.203 43 Q C -0.063 176.028 176.000 0.151 0.000 0.917 43 Q CA 0.127 55.996 55.803 0.109 0.000 0.939 43 Q CB 0.357 29.151 28.738 0.093 0.000 1.063 43 Q HN 0.199 nan 8.270 nan 0.000 0.516 44 L N -0.024 121.289 121.223 0.151 0.000 2.344 44 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 44 L C 1.128 178.069 176.870 0.119 0.000 1.035 44 L CA -0.190 54.747 54.840 0.162 0.000 0.807 44 L CB 1.609 43.764 42.059 0.160 0.000 1.237 44 L HN 0.054 nan 8.230 nan 0.000 0.442 45 T N -3.693 110.941 114.554 0.132 0.000 2.978 45 T HA 0.246 4.596 4.350 -0.000 0.000 0.248 45 T C 0.203 174.853 174.700 -0.084 0.000 1.018 45 T CA 0.065 62.206 62.100 0.069 0.000 1.026 45 T CB 0.105 69.087 68.868 0.189 0.000 1.032 45 T HN 0.518 nan 8.240 nan 0.000 0.485 46 H N -0.453 118.620 119.070 0.006 0.000 2.894 46 H HA 0.691 5.247 4.556 -0.000 0.000 0.367 46 H C -1.370 173.928 175.328 -0.050 0.000 1.144 46 H CA -0.883 55.158 56.048 -0.011 0.000 1.180 46 H CB 1.743 31.476 29.762 -0.049 0.000 1.758 46 H HN 0.150 nan 8.280 nan 0.000 0.541 47 I N 2.297 122.927 120.570 0.099 0.000 2.410 47 I HA 0.211 4.380 4.170 -0.000 0.000 0.286 47 I C -0.558 175.570 176.117 0.019 0.000 1.009 47 I CA -0.796 60.531 61.300 0.045 0.000 1.111 47 I CB 1.298 39.370 38.000 0.121 0.000 1.262 47 I HN 0.499 nan 8.210 nan 0.000 0.443 48 N N 6.437 125.024 118.700 -0.189 0.000 2.521 48 N HA 0.175 4.915 4.740 -0.000 0.000 0.236 48 N C -0.579 174.860 175.510 -0.117 0.000 1.067 48 N CA -0.212 52.651 53.050 -0.311 0.000 0.939 48 N CB 0.293 38.182 38.487 -0.996 0.000 1.201 48 N HN 0.367 nan 8.380 nan 0.000 0.511 49 F N 2.376 122.320 119.950 -0.009 0.000 2.538 49 F HA 0.253 4.780 4.527 -0.000 0.000 0.371 49 F C 0.451 176.248 175.800 -0.005 0.000 1.087 49 F CA -0.238 57.839 58.000 0.129 0.000 1.250 49 F CB 0.368 39.537 39.000 0.282 0.000 1.110 49 F HN 0.358 nan 8.300 nan 0.000 0.570 50 S N 4.904 120.083 115.700 -0.869 0.000 2.564 50 S HA 0.757 5.227 4.470 -0.000 0.000 0.274 50 S C -1.328 172.993 174.600 -0.465 0.000 1.124 50 S CA -0.855 56.913 58.200 -0.719 0.000 0.869 50 S CB 1.731 64.197 63.200 -1.223 0.000 1.105 50 S HN 0.485 nan 8.310 nan 0.000 0.472 51 F N 0.147 120.188 119.950 0.151 0.000 2.593 51 F HA 0.776 5.303 4.527 -0.000 0.000 0.320 51 F C -0.433 175.471 175.800 0.173 0.000 1.060 51 F CA -0.929 57.198 58.000 0.211 0.000 0.940 51 F CB 1.565 40.781 39.000 0.360 0.000 1.268 51 F HN 0.508 nan 8.300 nan 0.000 0.475 52 L N 0.860 122.286 121.223 0.339 0.000 2.298 52 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 52 L C -0.623 176.301 176.870 0.091 0.000 1.010 52 L CA -0.337 54.544 54.840 0.068 0.000 0.812 52 L CB 1.507 43.482 42.059 -0.141 0.000 1.331 52 L HN 0.578 nan 8.230 nan 0.000 0.450 53 D N -1.121 119.204 120.400 -0.124 0.000 2.781 53 D HA 0.554 5.194 4.640 -0.000 0.000 0.295 53 D C -1.441 174.731 176.300 -0.213 0.000 1.143 53 D CA -0.315 53.510 54.000 -0.292 0.000 1.076 53 D CB 1.483 41.770 40.800 -0.855 0.000 1.444 53 D HN 0.264 nan 8.370 nan 0.000 0.567 54 I N 2.322 122.664 120.570 -0.381 0.000 2.410 54 I HA 0.280 4.450 4.170 -0.000 0.000 0.286 54 I C -0.100 175.814 176.117 -0.339 0.000 1.009 54 I CA -0.912 60.132 61.300 -0.427 0.000 1.111 54 I CB 1.264 38.699 38.000 -0.941 0.000 1.262 54 I HN 0.327 nan 8.210 nan 0.000 0.443 55 N N 3.577 122.160 118.700 -0.195 0.000 2.322 55 N HA 0.055 4.795 4.740 -0.000 0.000 0.270 55 N C 1.019 176.442 175.510 -0.145 0.000 1.286 55 N CA -0.352 52.612 53.050 -0.142 0.000 0.948 55 N CB 0.179 38.626 38.487 -0.067 0.000 1.164 55 N HN 0.532 nan 8.380 nan 0.000 0.551 56 S N -2.026 113.615 115.700 -0.099 0.000 2.447 56 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 56 S C 1.183 175.736 174.600 -0.079 0.000 1.006 56 S CA 0.852 58.998 58.200 -0.090 0.000 0.957 56 S CB -0.880 62.286 63.200 -0.058 0.000 0.773 56 S HN 0.744 nan 8.310 nan 0.000 0.507 57 N N 1.336 119.999 118.700 -0.061 0.000 2.521 57 N HA 0.109 4.849 4.740 -0.000 0.000 0.188 57 N C -0.033 175.449 175.510 -0.047 0.000 1.146 57 N CA 0.302 53.328 53.050 -0.040 0.000 0.893 57 N CB -0.320 38.157 38.487 -0.016 0.000 0.975 57 N HN 0.393 nan 8.380 nan 0.000 0.451 58 L N -0.148 121.018 121.223 -0.095 0.000 3.843 58 L HA -0.247 4.093 4.340 -0.000 0.000 0.411 58 L C -0.916 175.946 176.870 -0.014 0.000 1.205 58 L CA 0.849 55.613 54.840 -0.127 0.000 0.945 58 L CB -2.010 39.981 42.059 -0.113 0.000 1.929 58 L HN 0.350 nan 8.230 nan 0.000 0.934 59 E N -0.805 119.411 120.200 0.026 0.000 2.336 59 E HA 0.414 4.764 4.350 -0.000 0.000 0.267 59 E C -0.343 176.338 176.600 0.136 0.000 0.906 59 E CA -0.798 55.687 56.400 0.142 0.000 0.781 59 E CB 2.625 32.370 29.700 0.075 0.000 1.261 59 E HN 0.263 nan 8.360 nan 0.000 0.436 60 C N 1.700 121.107 119.300 0.179 0.000 2.662 60 C HA 0.650 5.110 4.460 -0.000 0.000 0.420 60 C C 0.024 175.052 174.990 0.064 0.000 1.314 60 C CA 0.299 59.398 59.018 0.136 0.000 1.963 60 C CB -1.332 26.471 27.740 0.105 0.000 2.686 60 C HN 0.675 nan 8.230 nan 0.000 0.609 61 A N 4.496 127.328 122.820 0.020 0.000 2.583 61 A HA 0.633 4.953 4.320 -0.000 0.000 0.292 61 A C -1.412 176.191 177.584 0.031 0.000 1.045 61 A CA -0.686 51.390 52.037 0.064 0.000 0.672 61 A CB -0.030 19.021 19.000 0.086 0.000 1.283 61 A HN 0.921 nan 8.150 nan 0.000 0.419 62 W N 0.599 121.898 121.300 -0.003 0.000 2.030 62 W HA 0.456 5.116 4.660 -0.000 0.000 0.360 62 W C 0.570 177.118 176.519 0.048 0.000 1.370 62 W CA 0.921 58.285 57.345 0.032 0.000 1.433 62 W CB 0.383 29.847 29.460 0.006 0.000 1.204 62 W HN 0.750 nan 8.180 nan 0.000 0.649 63 D N 1.131 121.765 120.400 0.391 0.000 2.417 63 D HA 0.056 4.696 4.640 -0.000 0.000 0.250 63 D C -1.509 174.935 176.300 0.240 0.000 1.166 63 D CA -1.459 52.712 54.000 0.285 0.000 0.881 63 D CB 1.235 42.252 40.800 0.362 0.000 1.164 63 D HN -0.114 nan 8.370 nan 0.000 0.467 64 P HA -0.202 nan 4.420 nan 0.000 0.217 64 P C 0.761 178.130 177.300 0.114 0.000 1.158 64 P CA 2.183 65.357 63.100 0.123 0.000 0.887 64 P CB 0.033 31.790 31.700 0.095 0.000 0.792 65 A N -1.717 121.179 122.820 0.128 0.000 2.248 65 A HA -0.005 4.315 4.320 -0.000 0.000 0.210 65 A C 0.815 178.462 177.584 0.105 0.000 1.174 65 A CA 0.791 52.892 52.037 0.107 0.000 0.750 65 A CB -1.372 17.696 19.000 0.113 0.000 0.780 65 A HN 0.166 nan 8.150 nan 0.000 0.478 66 T N 1.667 116.297 114.554 0.127 0.000 2.901 66 T HA 0.100 4.449 4.350 -0.000 0.000 0.301 66 T C 0.275 174.980 174.700 0.008 0.000 1.012 66 T CA -0.421 61.738 62.100 0.099 0.000 1.135 66 T CB 0.444 69.404 68.868 0.153 0.000 0.936 66 T HN 0.426 nan 8.240 nan 0.000 0.539 67 N N 2.518 121.211 118.700 -0.012 0.000 2.401 67 N HA 0.005 4.745 4.740 -0.000 0.000 0.255 67 N C 0.691 176.125 175.510 -0.128 0.000 1.110 67 N CA -0.093 52.930 53.050 -0.046 0.000 0.949 67 N CB 1.089 39.565 38.487 -0.020 0.000 1.110 67 N HN 0.656 nan 8.380 nan 0.000 0.490 68 D N 3.895 124.201 120.400 -0.156 0.000 2.106 68 D HA -0.174 4.466 4.640 -0.000 0.000 0.191 68 D C 1.779 177.957 176.300 -0.203 0.000 0.997 68 D CA 2.064 55.922 54.000 -0.237 0.000 0.834 68 D CB 0.213 40.915 40.800 -0.164 0.000 0.956 68 D HN 0.684 nan 8.370 nan 0.000 0.448 69 A N 0.417 123.156 122.820 -0.135 0.000 1.917 69 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 69 A C 2.108 179.616 177.584 -0.126 0.000 1.182 69 A CA 1.532 53.498 52.037 -0.118 0.000 0.633 69 A CB -0.481 18.470 19.000 -0.082 0.000 0.819 69 A HN 0.111 nan 8.150 nan 0.000 0.448 70 K N -0.341 119.991 120.400 -0.112 0.000 2.002 70 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 70 K C 2.390 178.890 176.600 -0.166 0.000 1.048 70 K CA 1.340 57.569 56.287 -0.096 0.000 0.930 70 K CB -0.900 31.580 32.500 -0.033 0.000 0.714 70 K HN 0.452 nan 8.250 nan 0.000 0.438 71 A N 1.899 124.578 122.820 -0.236 0.000 1.859 71 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 71 A C 2.263 179.662 177.584 -0.308 0.000 1.198 71 A CA 1.918 53.740 52.037 -0.359 0.000 0.629 71 A CB -0.612 17.805 19.000 -0.973 0.000 0.830 71 A HN 0.311 nan 8.150 nan 0.000 0.446 72 R N -0.760 119.589 120.500 -0.252 0.000 2.103 72 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 72 R C 2.040 178.224 176.300 -0.193 0.000 1.142 72 R CA 1.729 57.738 56.100 -0.151 0.000 0.960 72 R CB -0.522 29.692 30.300 -0.144 0.000 0.858 72 R HN 0.724 nan 8.270 nan 0.000 0.439 73 D N 0.094 120.377 120.400 -0.195 0.000 2.117 73 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 73 D C 1.759 177.895 176.300 -0.274 0.000 0.987 73 D CA 0.959 54.841 54.000 -0.196 0.000 0.829 73 D CB 0.180 40.886 40.800 -0.156 0.000 0.961 73 D HN -0.040 nan 8.370 nan 0.000 0.460 74 V N -0.025 119.673 119.914 -0.360 0.000 2.261 74 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 74 V C 2.689 178.583 176.094 -0.333 0.000 1.047 74 V CA 1.506 63.529 62.300 -0.461 0.000 1.015 74 V CB -0.652 30.956 31.823 -0.358 0.000 0.642 74 V HN 0.156 nan 8.190 nan 0.000 0.446 75 V N 0.884 120.595 119.914 -0.338 0.000 2.282 75 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 75 V C 2.348 178.272 176.094 -0.284 0.000 1.057 75 V CA 2.356 64.429 62.300 -0.378 0.000 1.032 75 V CB -0.952 30.597 31.823 -0.457 0.000 0.645 75 V HN 0.588 nan 8.190 nan 0.000 0.447 76 N N 0.022 118.578 118.700 -0.240 0.000 2.223 76 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 76 N C 1.954 177.373 175.510 -0.152 0.000 1.016 76 N CA 1.207 54.146 53.050 -0.184 0.000 0.863 76 N CB -0.378 38.013 38.487 -0.159 0.000 0.983 76 N HN 0.485 nan 8.380 nan 0.000 0.429 77 R N 0.350 120.750 120.500 -0.166 0.000 2.092 77 R HA 0.067 4.407 4.340 -0.000 0.000 0.231 77 R C 2.211 178.443 176.300 -0.113 0.000 1.119 77 R CA 0.658 56.684 56.100 -0.125 0.000 0.970 77 R CB -0.221 29.998 30.300 -0.134 0.000 0.864 77 R HN 0.189 nan 8.270 nan 0.000 0.440 78 L N -0.137 120.996 121.223 -0.149 0.000 1.988 78 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 78 L C 2.697 179.532 176.870 -0.058 0.000 1.071 78 L CA 1.909 56.683 54.840 -0.109 0.000 0.744 78 L CB -0.941 41.055 42.059 -0.105 0.000 0.893 78 L HN 0.376 nan 8.230 nan 0.000 0.433 79 T N -2.272 112.234 114.554 -0.079 0.000 2.849 79 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 79 T C 1.837 176.501 174.700 -0.059 0.000 1.066 79 T CA 0.956 63.023 62.100 -0.056 0.000 1.130 79 T CB -0.454 68.362 68.868 -0.087 0.000 0.864 79 T HN 0.331 nan 8.240 nan 0.000 0.481 80 A N 1.597 124.373 122.820 -0.074 0.000 2.076 80 A HA 0.160 4.480 4.320 -0.000 0.000 0.220 80 A C 2.356 179.886 177.584 -0.088 0.000 1.160 80 A CA 1.158 53.146 52.037 -0.082 0.000 0.653 80 A CB -0.879 18.077 19.000 -0.074 0.000 0.801 80 A HN 0.610 nan 8.150 nan 0.000 0.455 81 L N -1.039 120.166 121.223 -0.031 0.000 2.275 81 L HA -0.148 4.192 4.340 -0.000 0.000 0.215 81 L C 2.181 179.051 176.870 -0.000 0.000 1.119 81 L CA 1.161 56.026 54.840 0.043 0.000 0.790 81 L CB -0.402 41.717 42.059 0.100 0.000 0.919 81 L HN 0.329 nan 8.230 nan 0.000 0.443 82 K N 0.513 120.894 120.400 -0.032 0.000 2.360 82 K HA -0.128 4.192 4.320 -0.000 0.000 0.201 82 K C 2.160 178.714 176.600 -0.077 0.000 1.046 82 K CA 1.039 57.308 56.287 -0.030 0.000 0.940 82 K CB -0.219 32.265 32.500 -0.026 0.000 0.748 82 K HN 0.308 nan 8.250 nan 0.000 0.465 83 A N 0.960 123.669 122.820 -0.185 0.000 2.070 83 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 83 A C 1.387 178.822 177.584 -0.249 0.000 1.159 83 A CA 1.238 53.124 52.037 -0.251 0.000 0.656 83 A CB -0.423 18.360 19.000 -0.361 0.000 0.800 83 A HN 0.297 nan 8.150 nan 0.000 0.453 84 H N -1.731 117.341 119.070 0.005 0.000 2.562 84 H HA 0.099 4.655 4.556 -0.000 0.000 0.267 84 H C -0.098 175.238 175.328 0.014 0.000 0.959 84 H CA 0.898 56.953 56.048 0.011 0.000 1.204 84 H CB 0.239 30.011 29.762 0.017 0.000 1.430 84 H HN 0.566 nan 8.280 nan 0.000 0.545 85 N N 0.795 119.559 118.700 0.107 0.000 2.599 85 N HA 0.068 4.808 4.740 -0.000 0.000 0.283 85 N C -2.447 173.081 175.510 0.030 0.000 1.160 85 N CA -1.555 51.537 53.050 0.071 0.000 0.869 85 N CB 1.860 40.397 38.487 0.084 0.000 1.448 85 N HN -0.168 nan 8.380 nan 0.000 0.535 86 P HA 0.055 nan 4.420 nan 0.000 0.242 86 P C 0.168 177.462 177.300 -0.010 0.000 1.197 86 P CA 0.516 63.615 63.100 -0.002 0.000 0.765 86 P CB 0.463 32.161 31.700 -0.002 0.000 0.936 87 S N -0.795 114.902 115.700 -0.005 0.000 2.523 87 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 87 S C 0.671 175.234 174.600 -0.061 0.000 0.996 87 S CA -0.435 57.751 58.200 -0.024 0.000 0.921 87 S CB -0.350 62.848 63.200 -0.003 0.000 0.829 87 S HN 0.076 nan 8.310 nan 0.000 0.495 88 L N 3.453 124.655 121.223 -0.035 0.000 2.455 88 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 88 L C 0.015 176.844 176.870 -0.069 0.000 1.174 88 L CA 0.636 55.449 54.840 -0.046 0.000 0.869 88 L CB 0.177 42.244 42.059 0.014 0.000 1.130 88 L HN 0.016 nan 8.230 nan 0.000 0.474 89 R N 5.929 126.350 120.500 -0.131 0.000 2.534 89 R HA 0.515 4.855 4.340 -0.000 0.000 0.301 89 R C -1.124 175.212 176.300 0.061 0.000 0.961 89 R CA -0.946 55.118 56.100 -0.060 0.000 0.871 89 R CB 1.605 31.802 30.300 -0.171 0.000 1.170 89 R HN 0.502 nan 8.270 nan 0.000 0.446 90 I N 4.953 125.617 120.570 0.156 0.000 2.307 90 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 90 I C 0.357 176.704 176.117 0.383 0.000 1.054 90 I CA -0.260 61.193 61.300 0.256 0.000 1.218 90 I CB 0.597 38.759 38.000 0.270 0.000 1.398 90 I HN 0.489 nan 8.210 nan 0.000 0.475 91 M N 6.389 126.144 119.600 0.257 0.000 2.267 91 M HA 0.455 4.935 4.480 -0.000 0.000 0.303 91 M C -0.298 176.011 176.300 0.014 0.000 1.164 91 M CA -0.453 54.936 55.300 0.147 0.000 1.060 91 M CB 1.099 33.717 32.600 0.030 0.000 1.455 91 M HN 0.392 nan 8.290 nan 0.000 0.483 92 F N -1.229 118.466 119.950 -0.425 0.000 2.529 92 F HA 0.722 5.249 4.527 -0.000 0.000 0.320 92 F C -0.722 174.912 175.800 -0.277 0.000 1.118 92 F CA -0.892 56.716 58.000 -0.653 0.000 0.915 92 F CB 1.016 39.034 39.000 -1.636 0.000 1.161 92 F HN 0.388 nan 8.300 nan 0.000 0.445 93 S N 4.406 120.060 115.700 -0.077 0.000 2.489 93 S HA 0.658 5.128 4.470 -0.000 0.000 0.291 93 S C -0.373 174.399 174.600 0.286 0.000 1.151 93 S CA -0.625 57.611 58.200 0.061 0.000 1.082 93 S CB 1.070 64.413 63.200 0.239 0.000 1.019 93 S HN 0.582 nan 8.310 nan 0.000 0.492 94 I N 2.972 123.694 120.570 0.253 0.000 2.339 94 I HA 0.615 4.785 4.170 -0.000 0.000 0.290 94 I C 0.924 177.249 176.117 0.346 0.000 0.994 94 I CA -0.055 61.435 61.300 0.316 0.000 1.191 94 I CB 0.927 39.084 38.000 0.261 0.000 1.343 94 I HN 0.925 nan 8.210 nan 0.000 0.458 95 G N 4.435 113.417 108.800 0.304 0.000 2.785 95 G HA2 0.288 4.248 3.960 -0.000 0.000 0.218 95 G HA3 0.288 4.248 3.960 -0.000 0.000 0.218 95 G C 0.055 174.626 174.900 -0.548 0.000 1.251 95 G CA 0.050 45.150 45.100 0.000 0.000 1.129 95 G HN 1.539 nan 8.290 nan 0.000 0.573 96 G N -2.016 106.342 108.800 -0.737 0.000 2.663 96 G HA2 0.114 4.074 3.960 -0.000 0.000 0.686 96 G HA3 0.114 4.074 3.960 -0.000 0.000 0.686 96 G C 0.667 175.175 174.900 -0.654 0.000 1.288 96 G CA 0.485 44.904 45.100 -1.134 0.000 0.836 96 G HN 1.995 nan 8.290 nan 0.000 0.584 97 W N 0.384 121.279 121.300 -0.674 0.000 2.335 97 W HA -0.174 4.486 4.660 -0.000 0.000 0.311 97 W C 2.011 178.294 176.519 -0.394 0.000 1.213 97 W CA 2.626 59.669 57.345 -0.504 0.000 1.274 97 W CB -0.324 28.879 29.460 -0.430 0.000 1.148 97 W HN 0.702 nan 8.180 nan 0.000 0.498 98 Y N 0.696 120.742 120.300 -0.424 0.000 2.081 98 Y HA -0.338 4.212 4.550 -0.000 0.000 0.280 98 Y C 2.414 178.031 175.900 -0.472 0.000 1.163 98 Y CA 2.619 60.453 58.100 -0.444 0.000 1.135 98 Y CB -1.366 36.816 38.460 -0.464 0.000 0.970 98 Y HN -0.085 nan 8.280 nan 0.000 0.498 99 Y N -0.478 119.479 120.300 -0.573 0.000 2.206 99 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 99 Y C 2.960 178.477 175.900 -0.638 0.000 1.123 99 Y CA 1.489 59.245 58.100 -0.574 0.000 1.142 99 Y CB -1.106 37.171 38.460 -0.304 0.000 1.006 99 Y HN 0.263 nan 8.280 nan 0.000 0.518 100 S N 0.150 115.461 115.700 -0.648 0.000 2.548 100 S HA 0.024 4.494 4.470 -0.000 0.000 0.215 100 S C 0.482 174.710 174.600 -0.621 0.000 0.976 100 S CA -0.196 57.472 58.200 -0.885 0.000 0.908 100 S CB -1.330 61.110 63.200 -1.266 0.000 0.781 100 S HN 0.511 nan 8.310 nan 0.000 0.519 101 N N 1.848 120.011 118.700 -0.896 0.000 2.381 101 N HA 0.034 4.774 4.740 -0.000 0.000 0.241 101 N C 0.210 175.280 175.510 -0.732 0.000 1.279 101 N CA 0.157 52.555 53.050 -1.088 0.000 0.896 101 N CB 0.136 37.247 38.487 -2.294 0.000 1.118 101 N HN -0.153 nan 8.380 nan 0.000 0.438 102 D N 0.110 120.109 120.400 -0.670 0.000 2.191 102 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 102 D C 0.867 176.732 176.300 -0.725 0.000 1.003 102 D CA 1.458 54.918 54.000 -0.900 0.000 0.867 102 D CB -0.091 40.465 40.800 -0.407 0.000 0.926 102 D HN 0.426 nan 8.370 nan 0.000 0.450 103 L N -0.211 120.729 121.223 -0.472 0.000 2.741 103 L HA 0.321 4.661 4.340 -0.000 0.000 0.237 103 L C 1.204 177.890 176.870 -0.307 0.000 1.178 103 L CA -0.197 54.462 54.840 -0.302 0.000 0.973 103 L CB 0.113 42.064 42.059 -0.180 0.000 1.255 103 L HN -0.184 nan 8.230 nan 0.000 0.498 104 G N -0.807 107.743 108.800 -0.416 0.000 2.537 104 G HA2 0.378 4.338 3.960 -0.000 0.000 0.273 104 G HA3 0.378 4.338 3.960 -0.000 0.000 0.273 104 G C 1.311 176.039 174.900 -0.286 0.000 1.189 104 G CA 0.107 44.948 45.100 -0.432 0.000 0.881 104 G HN 0.070 nan 8.290 nan 0.000 0.535 105 V N -1.062 118.650 119.914 -0.337 0.000 2.332 105 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 105 V C 1.980 178.010 176.094 -0.107 0.000 1.055 105 V CA 2.379 64.565 62.300 -0.190 0.000 1.038 105 V CB -0.672 31.041 31.823 -0.183 0.000 0.651 105 V HN 0.460 nan 8.190 nan 0.000 0.450 106 S N -1.104 114.539 115.700 -0.095 0.000 2.572 106 S HA 0.172 4.641 4.470 -0.000 0.000 0.228 106 S C 1.509 176.096 174.600 -0.021 0.000 0.963 106 S CA 0.215 58.384 58.200 -0.052 0.000 0.939 106 S CB -0.678 62.499 63.200 -0.037 0.000 0.804 106 S HN 0.798 nan 8.310 nan 0.000 0.480 107 H N 2.466 121.427 119.070 -0.182 0.000 2.362 107 H HA -0.235 4.321 4.556 -0.000 0.000 0.294 107 H C 2.141 177.376 175.328 -0.155 0.000 1.113 107 H CA 1.909 57.821 56.048 -0.226 0.000 1.253 107 H CB -0.128 29.496 29.762 -0.231 0.000 1.363 107 H HN 0.492 nan 8.280 nan 0.000 0.494 108 A N 1.074 123.791 122.820 -0.171 0.000 1.933 108 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 108 A C 2.243 179.663 177.584 -0.274 0.000 1.175 108 A CA 1.575 53.490 52.037 -0.203 0.000 0.628 108 A CB -0.377 18.566 19.000 -0.094 0.000 0.814 108 A HN 0.531 nan 8.150 nan 0.000 0.444 109 N N -0.867 117.669 118.700 -0.275 0.000 2.149 109 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 109 N C 1.426 176.569 175.510 -0.611 0.000 1.019 109 N CA 1.721 54.539 53.050 -0.386 0.000 0.857 109 N CB -0.650 37.597 38.487 -0.399 0.000 0.997 109 N HN 0.665 nan 8.380 nan 0.000 0.426 110 Y N 0.866 120.713 120.300 -0.756 0.000 2.163 110 Y HA -0.057 4.493 4.550 -0.000 0.000 0.288 110 Y C 2.475 177.808 175.900 -0.945 0.000 1.136 110 Y CA 0.562 57.981 58.100 -1.136 0.000 1.147 110 Y CB -0.719 36.578 38.460 -1.938 0.000 0.987 110 Y HN -0.176 nan 8.280 nan 0.000 0.509 111 V N 0.569 120.135 119.914 -0.581 0.000 2.287 111 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 111 V C 1.868 177.881 176.094 -0.134 0.000 1.053 111 V CA 2.146 64.326 62.300 -0.199 0.000 1.027 111 V CB -0.585 31.129 31.823 -0.181 0.000 0.646 111 V HN 0.471 nan 8.190 nan 0.000 0.447 112 N N 0.426 119.003 118.700 -0.205 0.000 2.250 112 N HA -0.008 4.732 4.740 -0.000 0.000 0.181 112 N C 1.938 177.345 175.510 -0.171 0.000 1.017 112 N CA 1.419 54.380 53.050 -0.149 0.000 0.866 112 N CB -0.476 37.925 38.487 -0.143 0.000 0.985 112 N HN 0.469 nan 8.380 nan 0.000 0.429 113 A N 0.963 123.601 122.820 -0.303 0.000 1.948 113 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 113 A C 2.134 179.597 177.584 -0.201 0.000 1.177 113 A CA 2.052 53.878 52.037 -0.351 0.000 0.636 113 A CB -0.662 17.880 19.000 -0.764 0.000 0.815 113 A HN 0.237 nan 8.150 nan 0.000 0.449 114 V N -4.182 115.657 119.914 -0.124 0.000 3.647 114 V HA 0.165 4.285 4.120 -0.000 0.000 0.279 114 V C 1.608 177.734 176.094 0.052 0.000 1.314 114 V CA 0.797 63.115 62.300 0.030 0.000 1.125 114 V CB -0.296 31.633 31.823 0.176 0.000 0.907 114 V HN 0.324 nan 8.190 nan 0.000 0.434 115 K N 1.954 122.363 120.400 0.016 0.000 2.074 115 K HA -0.073 4.247 4.320 -0.000 0.000 0.209 115 K C 1.125 177.742 176.600 0.028 0.000 1.048 115 K CA 2.017 58.318 56.287 0.023 0.000 0.926 115 K CB -0.121 32.378 32.500 -0.001 0.000 0.713 115 K HN 0.823 nan 8.250 nan 0.000 0.444 116 T N -4.648 109.920 114.554 0.023 0.000 2.841 116 T HA 0.282 4.632 4.350 -0.000 0.000 0.296 116 T C -2.539 172.180 174.700 0.031 0.000 1.166 116 T CA -1.728 60.387 62.100 0.026 0.000 1.007 116 T CB 2.076 70.954 68.868 0.017 0.000 1.253 116 T HN -0.298 nan 8.240 nan 0.000 0.511 117 P HA -0.077 nan 4.420 nan 0.000 0.216 117 P C 1.639 178.957 177.300 0.031 0.000 1.153 117 P CA 1.994 65.112 63.100 0.030 0.000 0.858 117 P CB -0.254 31.460 31.700 0.023 0.000 0.789 118 A N -0.072 122.763 122.820 0.025 0.000 1.855 118 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 118 A C 2.423 180.026 177.584 0.032 0.000 1.191 118 A CA 2.504 54.554 52.037 0.023 0.000 0.613 118 A CB -1.681 17.328 19.000 0.015 0.000 0.829 118 A HN 0.331 nan 8.150 nan 0.000 0.442 119 S N 0.045 115.762 115.700 0.028 0.000 2.368 119 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 119 S C 2.046 176.695 174.600 0.081 0.000 1.030 119 S CA 1.293 59.512 58.200 0.032 0.000 0.999 119 S CB -0.542 62.657 63.200 -0.003 0.000 0.844 119 S HN 0.593 nan 8.310 nan 0.000 0.459 120 R N 1.664 122.213 120.500 0.083 0.000 2.070 120 R HA 0.016 4.356 4.340 -0.000 0.000 0.233 120 R C 2.878 179.254 176.300 0.125 0.000 1.137 120 R CA 1.425 57.605 56.100 0.133 0.000 0.945 120 R CB -1.032 29.326 30.300 0.095 0.000 0.845 120 R HN 0.573 nan 8.270 nan 0.000 0.430 121 A N 1.603 124.465 122.820 0.069 0.000 1.908 121 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 121 A C 2.120 179.727 177.584 0.039 0.000 1.181 121 A CA 1.775 53.836 52.037 0.039 0.000 0.627 121 A CB -0.435 18.580 19.000 0.025 0.000 0.818 121 A HN 0.285 nan 8.150 nan 0.000 0.445 122 K N -1.646 118.788 120.400 0.058 0.000 2.026 122 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 122 K C 1.819 178.471 176.600 0.087 0.000 1.048 122 K CA 1.683 58.003 56.287 0.056 0.000 0.929 122 K CB -0.353 32.180 32.500 0.054 0.000 0.713 122 K HN 0.380 nan 8.250 nan 0.000 0.439 123 F N 1.438 121.370 119.950 -0.030 0.000 2.051 123 F HA -0.121 4.406 4.527 -0.000 0.000 0.296 123 F C 2.054 177.844 175.800 -0.016 0.000 1.122 123 F CA 1.492 59.468 58.000 -0.039 0.000 1.201 123 F CB -0.991 37.975 39.000 -0.056 0.000 0.978 123 F HN 0.111 nan 8.300 nan 0.000 0.472 124 A N 0.034 122.726 122.820 -0.213 0.000 1.869 124 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 124 A C 2.157 179.603 177.584 -0.231 0.000 1.203 124 A CA 2.269 54.129 52.037 -0.295 0.000 0.638 124 A CB -1.336 17.608 19.000 -0.093 0.000 0.831 124 A HN 0.551 nan 8.150 nan 0.000 0.450 125 Q N 0.219 119.950 119.800 -0.115 0.000 2.152 125 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 125 Q C 2.321 178.272 176.000 -0.082 0.000 0.985 125 Q CA 2.324 58.082 55.803 -0.075 0.000 0.863 125 Q CB -0.388 28.330 28.738 -0.033 0.000 0.904 125 Q HN 0.862 nan 8.270 nan 0.000 0.422 126 S N -1.805 113.832 115.700 -0.105 0.000 2.402 126 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 126 S C 2.159 176.710 174.600 -0.082 0.000 1.021 126 S CA 0.994 59.154 58.200 -0.066 0.000 0.974 126 S CB -0.822 62.363 63.200 -0.025 0.000 0.800 126 S HN 0.512 nan 8.310 nan 0.000 0.484 127 C N 1.343 120.515 119.300 -0.214 0.000 2.432 127 C HA 0.037 4.497 4.460 -0.000 0.000 0.277 127 C C 2.794 177.824 174.990 0.068 0.000 1.249 127 C CA 0.724 59.692 59.018 -0.083 0.000 1.725 127 C CB -1.362 26.189 27.740 -0.314 0.000 2.028 127 C HN 0.544 nan 8.230 nan 0.000 0.477 128 V N 0.882 120.776 119.914 -0.034 0.000 2.427 128 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 128 V C 2.596 178.683 176.094 -0.012 0.000 1.051 128 V CA 1.954 64.238 62.300 -0.027 0.000 1.048 128 V CB -0.807 30.975 31.823 -0.068 0.000 0.666 128 V HN 0.509 nan 8.190 nan 0.000 0.456 129 R N 0.045 120.540 120.500 -0.008 0.000 2.081 129 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 129 R C 2.278 178.605 176.300 0.045 0.000 1.131 129 R CA 1.609 57.712 56.100 0.004 0.000 0.960 129 R CB -0.142 30.162 30.300 0.008 0.000 0.856 129 R HN 0.342 nan 8.270 nan 0.000 0.436 130 I N 0.975 121.586 120.570 0.069 0.000 2.179 130 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 130 I C 2.529 178.704 176.117 0.097 0.000 1.088 130 I CA 1.308 62.674 61.300 0.109 0.000 1.357 130 I CB -0.936 37.002 38.000 -0.103 0.000 1.051 130 I HN 0.415 nan 8.210 nan 0.000 0.409 131 M N 0.725 120.370 119.600 0.075 0.000 2.082 131 M HA -0.278 4.202 4.480 -0.000 0.000 0.258 131 M C 2.311 178.684 176.300 0.121 0.000 1.071 131 M CA 2.014 57.458 55.300 0.240 0.000 1.103 131 M CB -0.181 32.578 32.600 0.265 0.000 1.307 131 M HN -0.007 nan 8.290 nan 0.000 0.409 132 K N 0.322 120.723 120.400 0.002 0.000 2.032 132 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 132 K C 1.726 178.292 176.600 -0.057 0.000 1.048 132 K CA 1.837 58.096 56.287 -0.047 0.000 0.927 132 K CB -1.050 31.408 32.500 -0.070 0.000 0.712 132 K HN 0.477 nan 8.250 nan 0.000 0.441 133 D N -0.177 120.188 120.400 -0.059 0.000 2.104 133 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 133 D C 1.455 177.533 176.300 -0.371 0.000 0.994 133 D CA 1.275 55.151 54.000 -0.206 0.000 0.830 133 D CB -0.029 40.634 40.800 -0.228 0.000 0.959 133 D HN 0.243 nan 8.370 nan 0.000 0.452 134 Y N -1.096 119.120 120.300 -0.139 0.000 2.466 134 Y HA 0.306 4.856 4.550 -0.000 0.000 0.272 134 Y C 1.785 177.409 175.900 -0.460 0.000 1.169 134 Y CA 0.442 58.366 58.100 -0.292 0.000 1.285 134 Y CB 0.676 38.971 38.460 -0.275 0.000 1.078 134 Y HN 0.107 nan 8.280 nan 0.000 0.523 135 G N -0.517 108.165 108.800 -0.196 0.000 2.132 135 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.234 135 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.234 135 G C -0.017 174.819 174.900 -0.107 0.000 0.989 135 G CA -0.417 44.589 45.100 -0.157 0.000 0.676 135 G HN 0.143 nan 8.290 nan 0.000 0.522 136 F N 0.554 120.566 119.950 0.103 0.000 2.435 136 F HA 0.409 4.936 4.527 -0.000 0.000 0.316 136 F C 1.448 177.376 175.800 0.214 0.000 1.220 136 F CA 0.020 58.127 58.000 0.178 0.000 1.241 136 F CB 0.518 39.707 39.000 0.315 0.000 1.234 136 F HN -0.016 nan 8.300 nan 0.000 0.569 137 D N -0.138 120.549 120.400 0.478 0.000 2.398 137 D HA 0.282 4.922 4.640 -0.000 0.000 0.210 137 D C 0.590 177.141 176.300 0.417 0.000 1.094 137 D CA 0.441 54.697 54.000 0.427 0.000 0.839 137 D CB 0.842 41.805 40.800 0.273 0.000 0.963 137 D HN 0.597 nan 8.370 nan 0.000 0.506 138 G N -0.295 108.705 108.800 0.333 0.000 2.466 138 G HA2 0.369 4.329 3.960 -0.000 0.000 0.291 138 G HA3 0.369 4.329 3.960 -0.000 0.000 0.291 138 G C -1.764 173.106 174.900 -0.051 0.000 1.460 138 G CA -0.549 44.659 45.100 0.180 0.000 0.791 138 G HN -0.084 nan 8.290 nan 0.000 0.505 139 V N 0.747 120.537 119.914 -0.206 0.000 2.417 139 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 139 V C -0.842 175.032 176.094 -0.366 0.000 1.024 139 V CA -0.421 61.536 62.300 -0.572 0.000 0.861 139 V CB 1.574 33.153 31.823 -0.405 0.000 0.985 139 V HN 0.827 nan 8.190 nan 0.000 0.436 140 D N 4.306 124.442 120.400 -0.439 0.000 2.391 140 D HA 0.555 5.195 4.640 -0.000 0.000 0.245 140 D C -0.800 175.461 176.300 -0.064 0.000 1.069 140 D CA -0.278 53.626 54.000 -0.160 0.000 0.831 140 D CB 1.311 42.047 40.800 -0.107 0.000 1.204 140 D HN 0.445 nan 8.370 nan 0.000 0.503 141 I N 3.131 123.742 120.570 0.069 0.000 2.362 141 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 141 I C -0.637 175.632 176.117 0.253 0.000 0.994 141 I CA -0.751 60.669 61.300 0.202 0.000 1.158 141 I CB 1.706 39.879 38.000 0.288 0.000 1.315 141 I HN 0.290 nan 8.210 nan 0.000 0.451 142 D N 6.309 126.852 120.400 0.238 0.000 2.736 142 D HA 0.078 4.718 4.640 -0.000 0.000 0.293 142 D C -0.725 175.565 176.300 -0.016 0.000 1.241 142 D CA -0.204 53.872 54.000 0.128 0.000 0.965 142 D CB 0.432 41.329 40.800 0.160 0.000 0.992 142 D HN 0.350 nan 8.370 nan 0.000 0.510 143 W N 2.228 123.397 121.300 -0.218 0.000 2.387 143 W HA 0.247 4.907 4.660 -0.000 0.000 0.310 143 W C -0.331 175.788 176.519 -0.667 0.000 1.181 143 W CA -0.960 56.110 57.345 -0.459 0.000 1.333 143 W CB 0.314 29.578 29.460 -0.326 0.000 1.286 143 W HN 0.085 nan 8.180 nan 0.000 0.455 144 E N 6.785 126.720 120.200 -0.443 0.000 2.261 144 E HA 0.234 4.584 4.350 -0.000 0.000 0.239 144 E C -1.390 174.872 176.600 -0.564 0.000 0.991 144 E CA -0.218 55.394 56.400 -1.314 0.000 0.847 144 E CB 0.616 29.593 29.700 -1.205 0.000 1.223 144 E HN 0.332 nan 8.360 nan 0.000 0.446 145 Y N 0.440 120.616 120.300 -0.208 0.000 2.638 145 Y HA 0.324 4.874 4.550 -0.000 0.000 0.335 145 Y C -2.401 172.916 175.900 -0.972 0.000 1.155 145 Y CA -2.705 55.072 58.100 -0.538 0.000 1.046 145 Y CB 1.672 39.980 38.460 -0.254 0.000 1.303 145 Y HN 0.219 nan 8.280 nan 0.000 0.460 146 P HA 0.111 nan 4.420 nan 0.000 0.275 146 P C -1.375 175.614 177.300 -0.518 0.000 1.227 146 P CA -0.161 61.983 63.100 -1.594 0.000 0.781 146 P CB 1.129 31.566 31.700 -2.104 0.000 0.906 147 Q N 1.183 120.842 119.800 -0.237 0.000 2.214 147 Q HA 0.423 4.763 4.340 -0.000 0.000 0.251 147 Q C 1.575 177.547 176.000 -0.048 0.000 0.936 147 Q CA -0.696 55.070 55.803 -0.061 0.000 0.894 147 Q CB 1.201 29.954 28.738 0.026 0.000 1.252 147 Q HN 0.454 nan 8.270 nan 0.000 0.448 148 A N 1.908 124.718 122.820 -0.016 0.000 1.913 148 A HA -0.383 3.937 4.320 -0.000 0.000 0.236 148 A C 1.980 179.568 177.584 0.005 0.000 1.760 148 A CA 2.956 54.990 52.037 -0.005 0.000 0.740 148 A CB -1.418 17.577 19.000 -0.009 0.000 0.847 148 A HN 0.895 nan 8.150 nan 0.000 0.508 149 A N -1.282 121.546 122.820 0.014 0.000 2.066 149 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 149 A C 1.730 179.337 177.584 0.039 0.000 1.157 149 A CA 1.517 53.571 52.037 0.027 0.000 0.670 149 A CB -0.403 18.617 19.000 0.033 0.000 0.804 149 A HN 0.733 nan 8.150 nan 0.000 0.453 150 E N -0.464 119.752 120.200 0.027 0.000 2.474 150 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 150 E C 1.556 178.176 176.600 0.033 0.000 1.041 150 E CA 0.336 56.768 56.400 0.053 0.000 0.874 150 E CB 0.082 29.826 29.700 0.074 0.000 0.914 150 E HN 0.371 nan 8.360 nan 0.000 0.498 151 V N 2.025 121.939 119.914 0.001 0.000 2.255 151 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 151 V C 1.684 177.853 176.094 0.125 0.000 1.051 151 V CA 2.091 64.422 62.300 0.051 0.000 1.018 151 V CB -0.417 31.437 31.823 0.053 0.000 0.641 151 V HN 0.230 nan 8.190 nan 0.000 0.445 152 D N 0.670 121.122 120.400 0.087 0.000 2.158 152 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 152 D C 2.171 178.529 176.300 0.096 0.000 0.995 152 D CA 1.738 55.786 54.000 0.080 0.000 0.846 152 D CB -0.603 40.232 40.800 0.057 0.000 0.941 152 D HN 0.499 nan 8.370 nan 0.000 0.456 153 G N -0.090 108.783 108.800 0.121 0.000 2.404 153 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 153 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 153 G C 1.484 176.500 174.900 0.193 0.000 1.174 153 G CA 0.290 45.473 45.100 0.138 0.000 0.780 153 G HN 0.220 nan 8.290 nan 0.000 0.537 154 F N 1.642 121.635 119.950 0.071 0.000 2.065 154 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 154 F C 2.508 178.341 175.800 0.055 0.000 1.112 154 F CA 1.332 59.382 58.000 0.083 0.000 1.212 154 F CB -0.410 38.560 39.000 -0.050 0.000 0.975 154 F HN 0.101 nan 8.300 nan 0.000 0.476 155 I N 0.220 120.815 120.570 0.043 0.000 2.151 155 I HA -0.370 3.800 4.170 -0.000 0.000 0.243 155 I C 2.637 178.715 176.117 -0.066 0.000 1.080 155 I CA 1.475 62.733 61.300 -0.070 0.000 1.339 155 I CB -0.947 37.067 38.000 0.023 0.000 1.039 155 I HN 0.271 nan 8.210 nan 0.000 0.409 156 A N 0.428 123.248 122.820 0.001 0.000 1.969 156 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 156 A C 2.496 180.083 177.584 0.004 0.000 1.169 156 A CA 1.640 53.681 52.037 0.008 0.000 0.635 156 A CB -0.653 18.367 19.000 0.034 0.000 0.810 156 A HN 0.454 nan 8.150 nan 0.000 0.445 157 A N -0.125 122.703 122.820 0.013 0.000 1.898 157 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 157 A C 2.129 179.702 177.584 -0.018 0.000 1.181 157 A CA 1.360 53.431 52.037 0.057 0.000 0.620 157 A CB -0.548 18.546 19.000 0.156 0.000 0.819 157 A HN 0.459 nan 8.150 nan 0.000 0.442 158 L N -0.830 120.306 121.223 -0.144 0.000 2.046 158 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 158 L C 2.876 179.688 176.870 -0.097 0.000 1.077 158 L CA 1.633 56.368 54.840 -0.174 0.000 0.747 158 L CB -0.638 41.236 42.059 -0.308 0.000 0.896 158 L HN 0.467 nan 8.230 nan 0.000 0.432 159 Q N -0.477 119.279 119.800 -0.074 0.000 2.124 159 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 159 Q C 2.143 178.126 176.000 -0.029 0.000 0.977 159 Q CA 1.475 57.252 55.803 -0.043 0.000 0.850 159 Q CB -0.063 28.659 28.738 -0.028 0.000 0.901 159 Q HN 0.295 nan 8.270 nan 0.000 0.429 160 E N 0.923 121.110 120.200 -0.022 0.000 2.072 160 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 160 E C 1.666 178.247 176.600 -0.030 0.000 0.985 160 E CA 1.013 57.404 56.400 -0.014 0.000 0.801 160 E CB -0.125 29.578 29.700 0.004 0.000 0.750 160 E HN 0.327 nan 8.360 nan 0.000 0.452 161 I N 0.153 120.695 120.570 -0.047 0.000 2.286 161 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 161 I C 2.417 178.507 176.117 -0.044 0.000 1.115 161 I CA 0.955 62.214 61.300 -0.068 0.000 1.392 161 I CB -0.172 37.771 38.000 -0.096 0.000 1.065 161 I HN 0.063 nan 8.210 nan 0.000 0.418 162 R N 1.050 121.527 120.500 -0.038 0.000 2.073 162 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 162 R C 2.150 178.446 176.300 -0.006 0.000 1.134 162 R CA 2.316 58.404 56.100 -0.021 0.000 0.952 162 R CB -1.211 29.072 30.300 -0.027 0.000 0.850 162 R HN 0.179 nan 8.270 nan 0.000 0.433 163 T N 1.555 116.103 114.554 -0.010 0.000 2.635 163 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 163 T C 1.776 176.478 174.700 0.004 0.000 1.040 163 T CA 1.858 63.957 62.100 -0.002 0.000 1.156 163 T CB -0.299 68.566 68.868 -0.004 0.000 0.863 163 T HN 0.161 nan 8.240 nan 0.000 0.430 164 L N 0.324 121.544 121.223 -0.006 0.000 2.017 164 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 164 L C 2.601 179.478 176.870 0.012 0.000 1.073 164 L CA 1.212 56.048 54.840 -0.006 0.000 0.745 164 L CB -0.693 41.349 42.059 -0.028 0.000 0.894 164 L HN 0.265 nan 8.230 nan 0.000 0.432 165 L N -0.323 120.910 121.223 0.017 0.000 2.012 165 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 165 L C 2.401 179.353 176.870 0.135 0.000 1.073 165 L CA 1.297 56.179 54.840 0.071 0.000 0.748 165 L CB -0.676 41.429 42.059 0.076 0.000 0.891 165 L HN 0.346 nan 8.230 nan 0.000 0.431 166 N N -0.133 118.615 118.700 0.081 0.000 2.149 166 N HA -0.212 4.528 4.740 -0.000 0.000 0.188 166 N C 1.871 177.424 175.510 0.071 0.000 1.019 166 N CA 1.182 54.274 53.050 0.070 0.000 0.857 166 N CB -0.198 38.309 38.487 0.033 0.000 0.997 166 N HN 0.383 nan 8.380 nan 0.000 0.426 167 Q N -0.226 119.609 119.800 0.058 0.000 2.119 167 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 167 Q C 1.849 177.897 176.000 0.080 0.000 0.972 167 Q CA 1.082 56.916 55.803 0.051 0.000 0.847 167 Q CB -0.028 28.729 28.738 0.031 0.000 0.903 167 Q HN 0.283 nan 8.270 nan 0.000 0.433 168 Q N -0.226 119.643 119.800 0.116 0.000 2.119 168 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 168 Q C 1.802 177.996 176.000 0.322 0.000 0.972 168 Q CA 1.649 57.557 55.803 0.175 0.000 0.847 168 Q CB -0.130 28.663 28.738 0.091 0.000 0.903 168 Q HN 0.250 nan 8.270 nan 0.000 0.433 169 T N 0.851 115.594 114.554 0.315 0.000 2.720 169 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 169 T C 1.489 176.208 174.700 0.032 0.000 1.037 169 T CA 1.264 63.417 62.100 0.089 0.000 1.144 169 T CB -0.129 68.743 68.868 0.005 0.000 0.864 169 T HN 0.190 nan 8.240 nan 0.000 0.444 170 I N 1.724 122.324 120.570 0.051 0.000 2.142 170 I HA -0.114 4.056 4.170 -0.000 0.000 0.240 170 I C 2.672 178.810 176.117 0.035 0.000 1.078 170 I CA 1.536 62.852 61.300 0.027 0.000 1.343 170 I CB -1.947 36.068 38.000 0.025 0.000 1.046 170 I HN 0.242 nan 8.210 nan 0.000 0.405 171 T N 0.906 115.494 114.554 0.057 0.000 2.803 171 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 171 T C 1.098 175.834 174.700 0.059 0.000 1.052 171 T CA 1.472 63.603 62.100 0.053 0.000 1.136 171 T CB -0.218 68.685 68.868 0.058 0.000 0.864 171 T HN 0.269 nan 8.240 nan 0.000 0.467 172 D N 0.000 120.453 120.400 0.088 0.000 2.363 172 D HA 0.279 4.919 4.640 -0.000 0.000 0.214 172 D C 1.352 177.660 176.300 0.015 0.000 1.093 172 D CA 0.212 54.261 54.000 0.081 0.000 0.837 172 D CB -0.187 40.733 40.800 0.200 0.000 0.948 172 D HN 0.392 nan 8.370 nan 0.000 0.507 173 G N 1.959 110.757 108.800 -0.003 0.000 2.356 173 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.296 173 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.296 173 G C 0.797 175.658 174.900 -0.066 0.000 1.022 173 G CA -0.113 44.971 45.100 -0.027 0.000 0.961 173 G HN 0.189 nan 8.290 nan 0.000 0.510 174 R N -0.701 119.726 120.500 -0.121 0.000 2.568 174 R HA 0.166 4.506 4.340 -0.000 0.000 0.288 174 R C 2.007 178.207 176.300 -0.165 0.000 1.077 174 R CA 0.107 56.085 56.100 -0.205 0.000 1.102 174 R CB 0.148 30.166 30.300 -0.469 0.000 1.278 174 R HN 0.576 nan 8.270 nan 0.000 0.560 175 Q N 0.460 120.201 119.800 -0.097 0.000 2.133 175 Q HA -0.140 4.200 4.340 -0.000 0.000 0.208 175 Q C 1.953 177.913 176.000 -0.066 0.000 0.991 175 Q CA 2.350 58.111 55.803 -0.070 0.000 0.867 175 Q CB -0.216 28.496 28.738 -0.043 0.000 0.911 175 Q HN 0.350 nan 8.270 nan 0.000 0.417 176 A N -0.840 121.941 122.820 -0.065 0.000 2.119 176 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 176 A C 0.839 178.387 177.584 -0.059 0.000 1.153 176 A CA 0.594 52.600 52.037 -0.051 0.000 0.692 176 A CB 0.246 19.221 19.000 -0.042 0.000 0.799 176 A HN 0.278 nan 8.150 nan 0.000 0.458 177 L N -0.192 120.974 121.223 -0.096 0.000 2.435 177 L HA 0.368 4.708 4.340 -0.000 0.000 0.259 177 L C -2.933 173.831 176.870 -0.177 0.000 1.563 177 L CA -1.716 53.063 54.840 -0.101 0.000 0.789 177 L CB 1.353 43.357 42.059 -0.093 0.000 0.989 177 L HN -0.141 nan 8.230 nan 0.000 0.522 178 P HA -0.018 nan 4.420 nan 0.000 0.266 178 P C -0.928 176.290 177.300 -0.136 0.000 1.193 178 P CA 0.368 63.362 63.100 -0.176 0.000 0.770 178 P CB 0.178 31.838 31.700 -0.066 0.000 0.836 179 Y N 0.908 121.229 120.300 0.034 0.000 2.480 179 Y HA 0.145 4.695 4.550 -0.000 0.000 0.338 179 Y C 1.369 177.294 175.900 0.041 0.000 1.220 179 Y CA 0.772 58.903 58.100 0.051 0.000 1.430 179 Y CB 0.141 38.633 38.460 0.052 0.000 1.311 179 Y HN 0.345 nan 8.280 nan 0.000 0.575 180 Q N 1.475 121.414 119.800 0.232 0.000 2.416 180 Q HA 0.689 5.029 4.340 -0.000 0.000 0.279 180 Q C -1.753 174.294 176.000 0.079 0.000 1.101 180 Q CA -1.367 54.517 55.803 0.134 0.000 0.830 180 Q CB 2.833 31.671 28.738 0.166 0.000 1.402 180 Q HN 0.510 nan 8.270 nan 0.000 0.445 181 L N 0.686 121.928 121.223 0.032 0.000 2.409 181 L HA 0.667 5.007 4.340 -0.000 0.000 0.272 181 L C -1.203 175.669 176.870 0.004 0.000 0.980 181 L CA 0.092 54.925 54.840 -0.011 0.000 0.826 181 L CB 2.211 44.251 42.059 -0.032 0.000 1.268 181 L HN 0.837 nan 8.230 nan 0.000 0.407 182 T N 2.758 117.317 114.554 0.008 0.000 2.841 182 T HA 0.825 5.175 4.350 -0.000 0.000 0.296 182 T C -0.527 174.211 174.700 0.063 0.000 1.166 182 T CA -0.599 61.532 62.100 0.052 0.000 1.007 182 T CB 1.537 70.453 68.868 0.079 0.000 1.253 182 T HN 0.888 nan 8.240 nan 0.000 0.511 183 I N -1.655 118.981 120.570 0.109 0.000 2.894 183 I HA 0.879 5.049 4.170 -0.000 0.000 0.302 183 I C -0.654 175.566 176.117 0.172 0.000 1.188 183 I CA -1.828 59.566 61.300 0.156 0.000 1.014 183 I CB 1.909 40.033 38.000 0.208 0.000 1.242 183 I HN 0.952 nan 8.210 nan 0.000 0.430 184 A N 3.106 126.041 122.820 0.190 0.000 2.309 184 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 184 A C 0.243 177.935 177.584 0.180 0.000 1.206 184 A CA 0.027 52.174 52.037 0.184 0.000 0.850 184 A CB 0.094 19.198 19.000 0.174 0.000 1.118 184 A HN 1.091 nan 8.150 nan 0.000 0.523 185 G N 0.779 109.702 108.800 0.205 0.000 2.441 185 G HA2 0.623 4.583 3.960 -0.000 0.000 0.334 185 G HA3 0.623 4.583 3.960 -0.000 0.000 0.334 185 G C 0.225 175.337 174.900 0.353 0.000 1.161 185 G CA -0.062 45.227 45.100 0.315 0.000 0.935 185 G HN 1.383 nan 8.290 nan 0.000 0.488 186 A N -0.379 122.723 122.820 0.469 0.000 2.531 186 A HA 0.502 4.822 4.320 -0.000 0.000 0.236 186 A C 1.325 178.995 177.584 0.145 0.000 1.062 186 A CA 0.598 52.750 52.037 0.192 0.000 0.760 186 A CB 0.403 19.301 19.000 -0.169 0.000 0.995 186 A HN 1.481 nan 8.150 nan 0.000 0.501 187 G N 1.164 110.001 108.800 0.061 0.000 3.453 187 G HA2 0.481 4.441 3.960 -0.000 0.000 0.263 187 G HA3 0.481 4.441 3.960 -0.000 0.000 0.263 187 G C 0.368 175.284 174.900 0.027 0.000 1.060 187 G CA 0.559 45.671 45.100 0.021 0.000 0.793 187 G HN 1.306 nan 8.290 nan 0.000 0.532 188 G N -1.295 107.522 108.800 0.028 0.000 2.701 188 G HA2 0.551 4.511 3.960 -0.000 0.000 0.300 188 G HA3 0.551 4.511 3.960 -0.000 0.000 0.300 188 G C 0.764 175.608 174.900 -0.093 0.000 1.410 188 G CA 0.357 45.460 45.100 0.006 0.000 1.014 188 G HN 0.359 nan 8.290 nan 0.000 0.509 189 A N 1.616 124.320 122.820 -0.193 0.000 1.940 189 A HA -0.081 4.239 4.320 -0.000 0.000 0.221 189 A C 1.963 179.264 177.584 -0.472 0.000 1.190 189 A CA 2.125 53.907 52.037 -0.425 0.000 0.647 189 A CB -0.712 17.983 19.000 -0.509 0.000 0.821 189 A HN 0.691 nan 8.150 nan 0.000 0.457 190 F N -1.497 118.315 119.950 -0.229 0.000 2.043 190 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 190 F C 2.156 177.716 175.800 -0.401 0.000 1.121 190 F CA 1.795 59.596 58.000 -0.331 0.000 1.199 190 F CB -0.773 37.975 39.000 -0.419 0.000 0.968 190 F HN 0.215 nan 8.300 nan 0.000 0.478 191 F N -0.608 119.254 119.950 -0.147 0.000 2.259 191 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 191 F C 2.140 177.611 175.800 -0.548 0.000 1.088 191 F CA 0.546 58.301 58.000 -0.408 0.000 1.358 191 F CB -1.001 37.533 39.000 -0.778 0.000 1.040 191 F HN -0.095 nan 8.300 nan 0.000 0.505 192 L N 0.464 121.477 121.223 -0.350 0.000 2.079 192 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 192 L C 2.548 179.022 176.870 -0.659 0.000 1.081 192 L CA 2.056 56.542 54.840 -0.591 0.000 0.752 192 L CB -1.211 40.598 42.059 -0.416 0.000 0.896 192 L HN 0.195 nan 8.230 nan 0.000 0.433 193 S N -1.130 114.286 115.700 -0.473 0.000 2.493 193 S HA -0.210 4.260 4.470 -0.000 0.000 0.243 193 S C 1.976 176.407 174.600 -0.283 0.000 0.991 193 S CA 0.878 58.843 58.200 -0.392 0.000 0.957 193 S CB -0.713 62.277 63.200 -0.351 0.000 0.756 193 S HN 0.570 nan 8.310 nan 0.000 0.521 194 R N 0.106 120.436 120.500 -0.283 0.000 2.115 194 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 194 R C 1.403 177.674 176.300 -0.048 0.000 1.100 194 R CA 1.627 57.653 56.100 -0.122 0.000 0.980 194 R CB -0.260 30.034 30.300 -0.009 0.000 0.875 194 R HN 0.905 nan 8.270 nan 0.000 0.445 195 Y N -5.532 114.723 120.300 -0.075 0.000 2.666 195 Y HA 0.228 4.778 4.550 -0.000 0.000 0.260 195 Y C 1.301 177.182 175.900 -0.032 0.000 1.089 195 Y CA -1.291 56.773 58.100 -0.060 0.000 1.246 195 Y CB -0.706 37.707 38.460 -0.077 0.000 1.353 195 Y HN -0.149 nan 8.280 nan 0.000 0.558 196 Y N 2.874 122.924 120.300 -0.418 0.000 2.139 196 Y HA -0.325 4.225 4.550 -0.000 0.000 0.282 196 Y C 2.654 178.454 175.900 -0.166 0.000 1.179 196 Y CA 2.522 60.418 58.100 -0.340 0.000 1.161 196 Y CB -0.434 37.761 38.460 -0.441 0.000 0.970 196 Y HN 0.362 nan 8.280 nan 0.000 0.511 197 S N -0.805 114.789 115.700 -0.178 0.000 2.442 197 S HA -0.156 4.314 4.470 -0.000 0.000 0.236 197 S C 1.310 175.824 174.600 -0.142 0.000 1.007 197 S CA 1.368 59.440 58.200 -0.213 0.000 0.965 197 S CB -0.357 62.758 63.200 -0.142 0.000 0.773 197 S HN 0.551 nan 8.310 nan 0.000 0.504 198 K N 0.397 120.760 120.400 -0.061 0.000 2.618 198 K HA 0.437 4.757 4.320 -0.000 0.000 0.207 198 K C 0.909 177.529 176.600 0.032 0.000 1.058 198 K CA -0.214 56.074 56.287 0.001 0.000 1.086 198 K CB 0.154 32.682 32.500 0.047 0.000 0.827 198 K HN 0.222 nan 8.250 nan 0.000 0.481 199 L N 0.851 122.058 121.223 -0.028 0.000 1.990 199 L HA -0.314 4.026 4.340 -0.000 0.000 0.213 199 L C 2.449 179.342 176.870 0.039 0.000 1.072 199 L CA 1.828 56.685 54.840 0.028 0.000 0.755 199 L CB -0.469 41.519 42.059 -0.118 0.000 0.889 199 L HN 0.392 nan 8.230 nan 0.000 0.432 200 A N -0.553 122.268 122.820 0.002 0.000 1.884 200 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 200 A C 2.097 179.697 177.584 0.027 0.000 1.197 200 A CA 2.245 54.294 52.037 0.020 0.000 0.637 200 A CB -0.718 18.290 19.000 0.015 0.000 0.827 200 A HN 0.567 nan 8.150 nan 0.000 0.450 201 Q N -0.873 118.942 119.800 0.025 0.000 2.124 201 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 201 Q C 2.056 178.065 176.000 0.015 0.000 0.977 201 Q CA 1.445 57.260 55.803 0.020 0.000 0.850 201 Q CB -0.289 28.463 28.738 0.024 0.000 0.901 201 Q HN 0.769 nan 8.270 nan 0.000 0.429 202 I N -0.295 120.299 120.570 0.039 0.000 2.252 202 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 202 I C 1.937 178.066 176.117 0.020 0.000 1.102 202 I CA 0.789 62.108 61.300 0.031 0.000 1.385 202 I CB 0.012 38.072 38.000 0.100 0.000 1.064 202 I HN 0.029 nan 8.210 nan 0.000 0.414 203 V N 0.731 120.677 119.914 0.052 0.000 2.871 203 V HA -0.099 4.021 4.120 -0.000 0.000 0.256 203 V C 2.567 178.671 176.094 0.016 0.000 1.082 203 V CA 1.260 63.592 62.300 0.053 0.000 1.105 203 V CB -0.590 31.289 31.823 0.093 0.000 0.713 203 V HN 0.424 nan 8.190 nan 0.000 0.473 204 A N 1.705 124.529 122.820 0.007 0.000 1.873 204 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 204 A C 0.719 178.289 177.584 -0.022 0.000 1.193 204 A CA 2.201 54.234 52.037 -0.006 0.000 0.629 204 A CB -1.802 17.196 19.000 -0.004 0.000 0.826 204 A HN 0.588 nan 8.150 nan 0.000 0.447 205 P HA 0.139 nan 4.420 nan 0.000 0.245 205 P C -0.058 177.213 177.300 -0.048 0.000 1.212 205 P CA 0.414 63.488 63.100 -0.043 0.000 0.774 205 P CB -0.098 31.567 31.700 -0.058 0.000 0.999 206 L N -0.067 121.129 121.223 -0.044 0.000 2.360 206 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 206 L C 1.449 178.261 176.870 -0.097 0.000 1.057 206 L CA -0.681 54.131 54.840 -0.047 0.000 0.803 206 L CB 0.925 42.978 42.059 -0.011 0.000 1.207 206 L HN -0.277 nan 8.230 nan 0.000 0.445 207 D N 0.372 120.683 120.400 -0.147 0.000 2.162 207 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 207 D C -0.507 175.432 176.300 -0.601 0.000 0.964 207 D CA 1.713 55.483 54.000 -0.383 0.000 0.847 207 D CB 0.388 40.953 40.800 -0.392 0.000 0.988 207 D HN 0.291 nan 8.370 nan 0.000 0.480 208 Y N -0.773 119.524 120.300 -0.005 0.000 2.571 208 Y HA 0.448 4.998 4.550 -0.000 0.000 0.341 208 Y C -0.626 175.281 175.900 0.011 0.000 1.076 208 Y CA -0.956 57.138 58.100 -0.010 0.000 1.029 208 Y CB 2.145 40.569 38.460 -0.059 0.000 1.308 208 Y HN -0.287 nan 8.280 nan 0.000 0.461 209 I N 3.171 123.864 120.570 0.205 0.000 2.411 209 I HA 0.437 4.607 4.170 -0.000 0.000 0.284 209 I C -1.359 174.828 176.117 0.117 0.000 1.012 209 I CA -0.674 60.718 61.300 0.153 0.000 1.119 209 I CB 0.561 38.657 38.000 0.160 0.000 1.261 209 I HN 0.600 nan 8.210 nan 0.000 0.448 210 N N 8.959 127.729 118.700 0.117 0.000 2.469 210 N HA 0.313 5.053 4.740 -0.000 0.000 0.239 210 N C -0.684 174.882 175.510 0.093 0.000 1.053 210 N CA -0.236 52.873 53.050 0.097 0.000 0.937 210 N CB 1.312 39.872 38.487 0.121 0.000 1.163 210 N HN 0.559 nan 8.380 nan 0.000 0.509 211 L N 1.881 123.124 121.223 0.034 0.000 2.410 211 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 211 L C 1.108 177.949 176.870 -0.048 0.000 1.144 211 L CA -0.000 54.835 54.840 -0.008 0.000 0.863 211 L CB 0.304 42.306 42.059 -0.095 0.000 1.140 211 L HN 0.331 nan 8.230 nan 0.000 0.463 212 M N 3.241 122.761 119.600 -0.134 0.000 3.596 212 M HA 0.050 4.530 4.480 -0.000 0.000 0.219 212 M C 0.438 176.386 176.300 -0.587 0.000 1.471 212 M CA -0.156 54.814 55.300 -0.550 0.000 1.644 212 M CB -0.496 31.824 32.600 -0.467 0.000 1.083 212 M HN 0.569 nan 8.290 nan 0.000 0.579 213 T N -0.080 114.300 114.554 -0.290 0.000 4.508 213 T HA 0.232 4.582 4.350 -0.000 0.000 0.232 213 T C -0.505 174.237 174.700 0.071 0.000 1.027 213 T CA -0.165 61.888 62.100 -0.078 0.000 0.999 213 T CB -1.216 67.660 68.868 0.013 0.000 1.402 213 T HN 0.531 nan 8.240 nan 0.000 1.003 214 Y N -3.056 117.311 120.300 0.112 0.000 2.788 214 Y HA 0.535 5.085 4.550 -0.000 0.000 0.335 214 Y C -0.280 175.716 175.900 0.161 0.000 1.287 214 Y CA -1.810 56.361 58.100 0.118 0.000 1.068 214 Y CB 0.065 38.592 38.460 0.112 0.000 1.340 214 Y HN 0.106 nan 8.280 nan 0.000 0.449 215 D N 0.087 120.758 120.400 0.452 0.000 3.012 215 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 215 D C 0.542 177.051 176.300 0.348 0.000 1.167 215 D CA 1.214 55.468 54.000 0.424 0.000 0.854 215 D CB -0.945 40.120 40.800 0.441 0.000 1.107 215 D HN 0.737 nan 8.370 nan 0.000 0.421 216 L N -1.302 120.063 121.223 0.237 0.000 2.610 216 L HA 0.214 4.554 4.340 -0.000 0.000 0.232 216 L C 1.186 178.137 176.870 0.134 0.000 1.149 216 L CA 0.840 55.770 54.840 0.151 0.000 0.872 216 L CB -0.125 41.986 42.059 0.086 0.000 0.992 216 L HN 0.193 nan 8.230 nan 0.000 0.447 217 A N -0.738 122.176 122.820 0.157 0.000 2.539 217 A HA 0.842 5.162 4.320 -0.000 0.000 0.296 217 A C -0.357 177.149 177.584 -0.130 0.000 1.073 217 A CA 0.043 52.120 52.037 0.066 0.000 0.700 217 A CB 1.742 20.811 19.000 0.115 0.000 1.296 217 A HN 0.086 nan 8.150 nan 0.000 0.405 218 G N -0.415 108.080 108.800 -0.507 0.000 2.495 218 G HA2 0.614 4.574 3.960 -0.000 0.000 0.294 218 G HA3 0.614 4.574 3.960 -0.000 0.000 0.294 218 G C -2.762 171.653 174.900 -0.810 0.000 1.397 218 G CA -0.222 44.135 45.100 -1.239 0.000 0.790 218 G HN 0.400 nan 8.290 nan 0.000 0.486 219 P HA 0.007 nan 4.420 nan 0.000 0.233 219 P C 1.075 178.445 177.300 0.115 0.000 1.167 219 P CA 0.842 63.852 63.100 -0.151 0.000 0.770 219 P CB -0.035 31.596 31.700 -0.114 0.000 0.837 220 W N -0.243 121.169 121.300 0.188 0.000 3.077 220 W HA 0.281 4.941 4.660 -0.000 0.000 0.245 220 W C 0.132 176.745 176.519 0.157 0.000 1.316 220 W CA -0.206 57.222 57.345 0.137 0.000 1.537 220 W CB -0.848 28.649 29.460 0.063 0.000 1.131 220 W HN -0.233 nan 8.180 nan 0.000 0.695 221 E N 1.127 121.316 120.200 -0.019 0.000 2.166 221 E HA 0.233 4.583 4.350 -0.000 0.000 0.275 221 E C 1.289 178.020 176.600 0.218 0.000 0.941 221 E CA 0.137 56.604 56.400 0.111 0.000 0.784 221 E CB 1.675 31.403 29.700 0.048 0.000 1.115 221 E HN 0.160 nan 8.360 nan 0.000 0.399 222 K N 2.187 122.660 120.400 0.123 0.000 2.147 222 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 222 K C 1.077 177.701 176.600 0.040 0.000 1.049 222 K CA 1.438 57.747 56.287 0.036 0.000 0.936 222 K CB -0.276 32.210 32.500 -0.024 0.000 0.722 222 K HN 0.284 nan 8.250 nan 0.000 0.446 223 V N 1.899 121.825 119.914 0.020 0.000 2.448 223 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 223 V C 0.076 176.075 176.094 -0.159 0.000 1.025 223 V CA -0.115 62.154 62.300 -0.053 0.000 0.859 223 V CB 0.941 32.703 31.823 -0.101 0.000 0.988 223 V HN 0.570 nan 8.190 nan 0.000 0.431 224 T N 3.668 118.002 114.554 -0.367 0.000 2.946 224 T HA 0.344 4.694 4.350 -0.000 0.000 0.311 224 T C -0.117 174.189 174.700 -0.657 0.000 1.063 224 T CA 0.103 61.666 62.100 -0.894 0.000 1.139 224 T CB 0.519 68.609 68.868 -1.298 0.000 0.994 224 T HN 1.106 nan 8.240 nan 0.000 0.547 225 N N -0.333 118.030 118.700 -0.562 0.000 2.927 225 N HA 0.196 4.936 4.740 -0.000 0.000 0.248 225 N C -1.622 173.812 175.510 -0.127 0.000 1.443 225 N CA -0.750 52.150 53.050 -0.250 0.000 0.870 225 N CB 1.118 39.612 38.487 0.011 0.000 1.444 225 N HN 0.705 nan 8.380 nan 0.000 0.519 226 H N 1.190 120.343 119.070 0.138 0.000 2.848 226 H HA 0.063 4.619 4.556 -0.000 0.000 0.341 226 H C 0.432 175.830 175.328 0.117 0.000 1.060 226 H CA 0.405 56.528 56.048 0.125 0.000 1.444 226 H CB 1.096 30.884 29.762 0.044 0.000 1.446 226 H HN 0.580 nan 8.280 nan 0.000 0.583 227 Q N 1.835 121.766 119.800 0.217 0.000 2.432 227 Q HA 0.218 4.558 4.340 -0.000 0.000 0.205 227 Q C 0.414 176.522 176.000 0.179 0.000 0.945 227 Q CA 0.798 56.718 55.803 0.194 0.000 0.924 227 Q CB 0.762 29.620 28.738 0.201 0.000 1.016 227 Q HN 0.512 nan 8.270 nan 0.000 0.503 228 A N 0.426 123.335 122.820 0.148 0.000 2.897 228 A HA 0.668 4.988 4.320 -0.000 0.000 0.230 228 A C -0.086 177.516 177.584 0.030 0.000 0.896 228 A CA -0.234 51.870 52.037 0.111 0.000 1.114 228 A CB 0.148 19.232 19.000 0.141 0.000 1.230 228 A HN 0.361 nan 8.150 nan 0.000 0.481 229 A N 0.106 122.944 122.820 0.031 0.000 2.546 229 A HA 0.389 4.709 4.320 -0.000 0.000 0.243 229 A C 1.175 178.686 177.584 -0.122 0.000 1.063 229 A CA 0.281 52.279 52.037 -0.065 0.000 0.757 229 A CB 0.027 19.027 19.000 -0.001 0.000 0.991 229 A HN 1.411 nan 8.150 nan 0.000 0.503 230 L N 3.177 124.259 121.223 -0.235 0.000 2.072 230 L HA 0.247 4.587 4.340 -0.000 0.000 0.205 230 L C -0.011 176.535 176.870 -0.540 0.000 1.079 230 L CA 1.732 56.291 54.840 -0.469 0.000 0.752 230 L CB -0.400 41.289 42.059 -0.617 0.000 0.906 230 L HN 0.581 nan 8.230 nan 0.000 0.436 231 F N -1.155 118.754 119.950 -0.069 0.000 2.611 231 F HA 0.659 5.186 4.527 -0.000 0.000 0.324 231 F C 0.890 176.678 175.800 -0.020 0.000 1.061 231 F CA -0.991 56.999 58.000 -0.016 0.000 0.954 231 F CB 0.647 39.647 39.000 -0.001 0.000 1.301 231 F HN -0.148 nan 8.300 nan 0.000 0.482 232 G N -0.073 108.877 108.800 0.250 0.000 2.476 232 G HA2 0.396 4.355 3.960 -0.000 0.000 0.269 232 G HA3 0.396 4.355 3.960 -0.000 0.000 0.269 232 G C -1.561 173.375 174.900 0.060 0.000 1.195 232 G CA -0.193 44.979 45.100 0.120 0.000 0.843 232 G HN 0.509 nan 8.290 nan 0.000 0.545 233 D N 1.024 121.431 120.400 0.013 0.000 2.453 233 D HA 0.435 5.075 4.640 -0.000 0.000 0.238 233 D C 1.206 177.451 176.300 -0.091 0.000 1.088 233 D CA -0.172 53.818 54.000 -0.016 0.000 0.854 233 D CB 1.394 42.215 40.800 0.036 0.000 1.076 233 D HN 0.305 nan 8.370 nan 0.000 0.533 234 A N 3.640 126.419 122.820 -0.068 0.000 2.032 234 A HA -0.112 4.207 4.320 -0.000 0.000 0.221 234 A C 1.942 179.433 177.584 -0.154 0.000 1.165 234 A CA 1.947 53.929 52.037 -0.092 0.000 0.645 234 A CB -0.402 18.565 19.000 -0.056 0.000 0.807 234 A HN 0.631 nan 8.150 nan 0.000 0.453 235 A N -0.686 122.035 122.820 -0.165 0.000 2.206 235 A HA 0.428 4.748 4.320 -0.000 0.000 0.211 235 A C 1.395 178.622 177.584 -0.595 0.000 1.158 235 A CA 0.877 52.783 52.037 -0.218 0.000 0.761 235 A CB -0.763 18.208 19.000 -0.048 0.000 0.801 235 A HN 0.717 nan 8.150 nan 0.000 0.473 236 G N 0.084 108.414 108.800 -0.784 0.000 2.547 236 G HA2 0.492 4.452 3.960 -0.000 0.000 0.291 236 G HA3 0.492 4.452 3.960 -0.000 0.000 0.291 236 G C -2.309 172.204 174.900 -0.646 0.000 1.211 236 G CA -1.330 42.999 45.100 -1.284 0.000 0.950 236 G HN 0.186 nan 8.290 nan 0.000 0.504 237 P HA 0.232 nan 4.420 nan 0.000 0.273 237 P C -0.128 176.925 177.300 -0.412 0.000 1.250 237 P CA 0.061 62.898 63.100 -0.437 0.000 0.793 237 P CB 0.992 32.425 31.700 -0.446 0.000 1.011 238 T N -2.456 111.800 114.554 -0.497 0.000 2.887 238 T HA 0.764 5.114 4.350 -0.000 0.000 0.292 238 T C -0.768 173.604 174.700 -0.547 0.000 1.087 238 T CA -0.556 61.336 62.100 -0.347 0.000 1.009 238 T CB 1.053 69.821 68.868 -0.166 0.000 1.203 238 T HN 0.228 nan 8.240 nan 0.000 0.518 239 F N -0.707 119.160 119.950 -0.139 0.000 2.629 239 F HA 0.526 5.053 4.527 -0.000 0.000 0.316 239 F C -0.639 175.293 175.800 0.220 0.000 1.081 239 F CA -1.506 56.531 58.000 0.061 0.000 0.954 239 F CB 1.357 40.419 39.000 0.103 0.000 1.337 239 F HN 0.747 nan 8.300 nan 0.000 0.474 240 Y N 2.310 122.889 120.300 0.466 0.000 2.544 240 Y HA 0.117 4.667 4.550 -0.000 0.000 0.330 240 Y C 0.471 176.497 175.900 0.210 0.000 1.136 240 Y CA -0.273 58.012 58.100 0.309 0.000 1.417 240 Y CB 0.256 38.903 38.460 0.312 0.000 1.229 240 Y HN 0.451 nan 8.280 nan 0.000 0.532 241 N N 5.536 124.169 118.700 -0.111 0.000 2.605 241 N HA 0.089 4.829 4.740 -0.000 0.000 0.258 241 N C 0.660 175.962 175.510 -0.347 0.000 1.156 241 N CA 0.623 53.520 53.050 -0.255 0.000 1.008 241 N CB 0.664 38.913 38.487 -0.396 0.000 1.354 241 N HN 0.927 nan 8.380 nan 0.000 0.509 242 A N 4.343 126.997 122.820 -0.278 0.000 1.986 242 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 242 A C 2.165 179.483 177.584 -0.444 0.000 1.171 242 A CA 0.990 52.904 52.037 -0.205 0.000 0.640 242 A CB -0.355 18.427 19.000 -0.364 0.000 0.811 242 A HN 0.731 nan 8.150 nan 0.000 0.451 243 L N -0.371 120.375 121.223 -0.795 0.000 2.127 243 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 243 L C 2.709 178.769 176.870 -1.350 0.000 1.089 243 L CA 1.787 55.867 54.840 -1.267 0.000 0.757 243 L CB -0.649 40.257 42.059 -1.921 0.000 0.899 243 L HN 0.650 nan 8.230 nan 0.000 0.434 244 R N -0.214 119.710 120.500 -0.959 0.000 2.285 244 R HA -0.102 4.238 4.340 -0.000 0.000 0.213 244 R C 1.127 177.282 176.300 -0.242 0.000 1.068 244 R CA 0.864 56.702 56.100 -0.437 0.000 1.004 244 R CB -0.148 30.044 30.300 -0.179 0.000 0.873 244 R HN 0.285 nan 8.270 nan 0.000 0.467 245 E N 0.789 120.844 120.200 -0.242 0.000 2.481 245 E HA 0.224 4.574 4.350 -0.000 0.000 0.198 245 E C 0.171 176.673 176.600 -0.162 0.000 1.027 245 E CA 0.238 56.567 56.400 -0.118 0.000 0.900 245 E CB 0.997 30.683 29.700 -0.023 0.000 0.993 245 E HN 0.435 nan 8.360 nan 0.000 0.482 246 A N 1.684 124.344 122.820 -0.267 0.000 2.366 246 A HA 0.104 4.424 4.320 -0.000 0.000 0.249 246 A C 0.565 178.037 177.584 -0.188 0.000 1.084 246 A CA -0.327 51.573 52.037 -0.229 0.000 0.794 246 A CB 0.073 18.916 19.000 -0.261 0.000 1.034 246 A HN 0.010 nan 8.150 nan 0.000 0.491 247 N N 1.161 119.776 118.700 -0.143 0.000 3.050 247 N HA 0.194 4.934 4.740 -0.000 0.000 0.289 247 N C 0.280 175.690 175.510 -0.166 0.000 1.209 247 N CA 0.181 53.163 53.050 -0.114 0.000 1.154 247 N CB -0.633 37.815 38.487 -0.064 0.000 1.444 247 N HN 0.583 nan 8.380 nan 0.000 0.529 248 L N 0.314 121.367 121.223 -0.284 0.000 2.416 248 L HA 0.277 4.617 4.340 -0.000 0.000 0.216 248 L C 1.587 178.300 176.870 -0.262 0.000 1.098 248 L CA 0.395 54.920 54.840 -0.525 0.000 0.840 248 L CB -0.111 41.191 42.059 -1.261 0.000 0.981 248 L HN 0.553 nan 8.230 nan 0.000 0.462 249 G N -0.930 107.829 108.800 -0.068 0.000 2.168 249 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 249 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 249 G C -0.115 174.969 174.900 0.306 0.000 0.997 249 G CA -0.103 45.065 45.100 0.112 0.000 0.708 249 G HN 0.122 nan 8.290 nan 0.000 0.520 250 W N 0.840 122.186 121.300 0.076 0.000 2.166 250 W HA 0.714 5.374 4.660 -0.000 0.000 0.364 250 W C 1.153 177.725 176.519 0.089 0.000 1.344 250 W CA -0.795 56.592 57.345 0.071 0.000 1.471 250 W CB 0.124 29.621 29.460 0.061 0.000 1.220 250 W HN 0.538 nan 8.180 nan 0.000 0.666 251 S N -0.545 115.352 115.700 0.328 0.000 2.652 251 S HA 0.096 4.566 4.470 -0.000 0.000 0.270 251 S C 0.546 175.321 174.600 0.292 0.000 1.243 251 S CA -0.571 57.793 58.200 0.274 0.000 0.999 251 S CB 1.005 64.341 63.200 0.228 0.000 0.973 251 S HN 0.569 nan 8.310 nan 0.000 0.544 252 W N 1.527 122.911 121.300 0.140 0.000 2.304 252 W HA -0.168 4.492 4.660 -0.000 0.000 0.315 252 W C 2.098 178.681 176.519 0.106 0.000 1.233 252 W CA 2.133 59.550 57.345 0.120 0.000 1.261 252 W CB -0.186 29.331 29.460 0.095 0.000 1.150 252 W HN 0.814 nan 8.180 nan 0.000 0.494 253 E N 0.266 120.719 120.200 0.422 0.000 2.058 253 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 253 E C 1.878 178.480 176.600 0.003 0.000 0.997 253 E CA 2.048 58.589 56.400 0.235 0.000 0.801 253 E CB -0.672 29.172 29.700 0.239 0.000 0.746 253 E HN 0.572 nan 8.360 nan 0.000 0.450 254 E N 0.631 120.846 120.200 0.025 0.000 2.031 254 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 254 E C 2.431 179.036 176.600 0.008 0.000 0.994 254 E CA 0.794 57.153 56.400 -0.068 0.000 0.800 254 E CB -0.199 29.438 29.700 -0.105 0.000 0.752 254 E HN 0.153 nan 8.360 nan 0.000 0.447 255 L N 0.793 122.103 121.223 0.145 0.000 1.989 255 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 255 L C 2.676 179.488 176.870 -0.097 0.000 1.071 255 L CA 1.588 56.534 54.840 0.176 0.000 0.749 255 L CB -0.853 41.279 42.059 0.120 0.000 0.890 255 L HN 0.184 nan 8.230 nan 0.000 0.431 256 T N -0.184 114.150 114.554 -0.366 0.000 2.720 256 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 256 T C 1.807 176.326 174.700 -0.302 0.000 1.037 256 T CA 1.896 63.709 62.100 -0.478 0.000 1.144 256 T CB -0.332 67.972 68.868 -0.940 0.000 0.864 256 T HN 0.444 nan 8.240 nan 0.000 0.444 257 R N 1.732 122.077 120.500 -0.259 0.000 2.115 257 R HA 0.310 4.650 4.340 -0.000 0.000 0.226 257 R C 2.439 178.561 176.300 -0.296 0.000 1.100 257 R CA 1.113 57.075 56.100 -0.229 0.000 0.980 257 R CB -0.459 29.729 30.300 -0.185 0.000 0.875 257 R HN 0.332 nan 8.270 nan 0.000 0.445 258 A N 0.619 123.188 122.820 -0.418 0.000 2.081 258 A HA 0.193 4.513 4.320 -0.000 0.000 0.214 258 A C 0.122 177.281 177.584 -0.709 0.000 1.158 258 A CA 0.232 51.883 52.037 -0.643 0.000 0.724 258 A CB 0.136 18.591 19.000 -0.908 0.000 0.826 258 A HN 0.287 nan 8.150 nan 0.000 0.463 259 F N 0.869 120.757 119.950 -0.104 0.000 2.584 259 F HA 0.308 4.835 4.527 -0.000 0.000 0.328 259 F C -2.545 173.101 175.800 -0.256 0.000 1.407 259 F CA -3.628 54.262 58.000 -0.183 0.000 1.145 259 F CB 0.492 39.359 39.000 -0.222 0.000 1.440 259 F HN -0.020 nan 8.300 nan 0.000 0.580 260 P HA 0.102 nan 4.420 nan 0.000 0.267 260 P C -0.135 177.126 177.300 -0.064 0.000 1.200 260 P CA 0.357 63.376 63.100 -0.135 0.000 0.772 260 P CB 1.938 33.531 31.700 -0.179 0.000 0.855 261 S N 2.001 117.671 115.700 -0.049 0.000 2.533 261 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 261 S C -2.639 171.958 174.600 -0.004 0.000 1.143 261 S CA -1.109 57.085 58.200 -0.010 0.000 0.891 261 S CB 0.794 63.874 63.200 -0.200 0.000 1.105 261 S HN 0.360 nan 8.310 nan 0.000 0.468 262 P HA 0.536 nan 4.420 nan 0.000 0.275 262 P C -0.863 176.594 177.300 0.262 0.000 1.266 262 P CA -0.239 62.950 63.100 0.149 0.000 0.793 262 P CB 0.178 31.923 31.700 0.076 0.000 1.074 263 F N -3.077 116.919 119.950 0.077 0.000 2.715 263 F HA 0.582 5.108 4.527 -0.000 0.000 0.318 263 F C -0.993 174.915 175.800 0.180 0.000 1.141 263 F CA -1.358 56.710 58.000 0.113 0.000 0.950 263 F CB 0.495 39.600 39.000 0.174 0.000 1.374 263 F HN 0.100 nan 8.300 nan 0.000 0.477 264 S N 1.760 117.457 115.700 -0.004 0.000 2.439 264 S HA 0.417 4.887 4.470 -0.000 0.000 0.282 264 S C -0.580 173.885 174.600 -0.225 0.000 1.170 264 S CA -0.414 57.725 58.200 -0.102 0.000 1.054 264 S CB 0.597 63.843 63.200 0.076 0.000 0.956 264 S HN 0.646 nan 8.310 nan 0.000 0.490 265 L N 6.445 127.464 121.223 -0.340 0.000 2.462 265 L HA 0.288 4.628 4.340 -0.000 0.000 0.283 265 L C 0.527 177.384 176.870 -0.022 0.000 1.166 265 L CA 0.531 55.215 54.840 -0.260 0.000 0.964 265 L CB -0.832 40.989 42.059 -0.396 0.000 1.294 265 L HN 0.751 nan 8.230 nan 0.000 0.449 266 T N -0.263 114.325 114.554 0.056 0.000 2.888 266 T HA 0.419 4.769 4.350 -0.000 0.000 0.288 266 T C 1.087 175.791 174.700 0.006 0.000 1.063 266 T CA -0.472 61.652 62.100 0.040 0.000 1.010 266 T CB 1.092 70.002 68.868 0.069 0.000 1.214 266 T HN -0.042 nan 8.240 nan 0.000 0.533 267 V N 0.737 120.608 119.914 -0.072 0.000 2.427 267 V HA -0.083 4.037 4.120 -0.000 0.000 0.248 267 V C 2.513 178.513 176.094 -0.157 0.000 1.051 267 V CA 2.398 64.627 62.300 -0.117 0.000 1.048 267 V CB -1.030 30.676 31.823 -0.195 0.000 0.666 267 V HN 1.087 nan 8.190 nan 0.000 0.456 268 D N 0.611 120.879 120.400 -0.219 0.000 2.117 268 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 268 D C 2.100 178.475 176.300 0.126 0.000 0.987 268 D CA 1.583 55.543 54.000 -0.067 0.000 0.829 268 D CB -0.135 40.734 40.800 0.116 0.000 0.961 268 D HN 0.359 nan 8.370 nan 0.000 0.460 269 A N 0.500 123.379 122.820 0.099 0.000 1.902 269 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 269 A C 2.420 179.875 177.584 -0.215 0.000 1.181 269 A CA 2.297 54.270 52.037 -0.107 0.000 0.623 269 A CB -1.192 17.876 19.000 0.113 0.000 0.818 269 A HN 0.357 nan 8.150 nan 0.000 0.443 270 A N -0.597 122.199 122.820 -0.040 0.000 1.877 270 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 270 A C 2.248 179.925 177.584 0.154 0.000 1.186 270 A CA 1.799 53.859 52.037 0.038 0.000 0.620 270 A CB -1.007 18.023 19.000 0.049 0.000 0.822 270 A HN 0.394 nan 8.150 nan 0.000 0.443 271 V N 0.190 120.174 119.914 0.116 0.000 2.255 271 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 271 V C 2.738 178.974 176.094 0.237 0.000 1.051 271 V CA 2.114 64.526 62.300 0.187 0.000 1.018 271 V CB -0.811 31.186 31.823 0.291 0.000 0.641 271 V HN 0.552 nan 8.190 nan 0.000 0.445 272 Q N -0.293 119.632 119.800 0.208 0.000 2.170 272 Q HA -0.236 4.104 4.340 -0.000 0.000 0.203 272 Q C 2.232 178.331 176.000 0.166 0.000 0.976 272 Q CA 1.585 57.518 55.803 0.216 0.000 0.858 272 Q CB -0.406 28.518 28.738 0.311 0.000 0.907 272 Q HN 0.715 nan 8.270 nan 0.000 0.433 273 Q N -0.731 119.084 119.800 0.025 0.000 2.167 273 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 273 Q C 1.749 177.907 176.000 0.264 0.000 0.970 273 Q CA 1.133 56.971 55.803 0.059 0.000 0.855 273 Q CB -0.078 28.541 28.738 -0.198 0.000 0.911 273 Q HN 0.534 nan 8.270 nan 0.000 0.438 274 H N -0.152 119.032 119.070 0.190 0.000 2.363 274 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 274 H C 1.683 177.107 175.328 0.161 0.000 1.074 274 H CA 1.051 57.220 56.048 0.201 0.000 1.354 274 H CB 0.058 29.916 29.762 0.159 0.000 1.397 274 H HN 0.114 nan 8.280 nan 0.000 0.516 275 L N -0.224 121.157 121.223 0.264 0.000 2.362 275 L HA -0.102 4.238 4.340 -0.000 0.000 0.219 275 L C 1.836 178.797 176.870 0.152 0.000 1.134 275 L CA 0.625 55.575 54.840 0.183 0.000 0.807 275 L CB -0.258 41.898 42.059 0.162 0.000 0.927 275 L HN 0.369 nan 8.230 nan 0.000 0.447 276 M N -1.193 118.518 119.600 0.186 0.000 2.476 276 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 276 M C 0.379 176.770 176.300 0.151 0.000 1.079 276 M CA 0.862 56.261 55.300 0.166 0.000 1.104 276 M CB 0.051 32.789 32.600 0.230 0.000 1.409 276 M HN 0.144 nan 8.290 nan 0.000 0.467 277 M N 0.893 120.570 119.600 0.129 0.000 2.188 277 M HA 0.199 4.679 4.480 -0.000 0.000 0.357 277 M C 0.062 176.396 176.300 0.056 0.000 1.204 277 M CA -0.170 55.173 55.300 0.073 0.000 1.095 277 M CB 0.675 33.228 32.600 -0.077 0.000 1.604 277 M HN 0.065 nan 8.290 nan 0.000 0.464 278 E N 0.869 121.101 120.200 0.054 0.000 2.437 278 E HA 0.230 4.580 4.350 -0.000 0.000 0.263 278 E C 0.913 177.536 176.600 0.038 0.000 1.030 278 E CA 0.983 57.408 56.400 0.041 0.000 0.934 278 E CB 0.464 30.186 29.700 0.038 0.000 0.943 278 E HN 0.929 nan 8.360 nan 0.000 0.444 279 G N 2.302 111.124 108.800 0.037 0.000 2.153 279 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 279 G C -0.129 174.797 174.900 0.042 0.000 0.994 279 G CA 0.241 45.361 45.100 0.034 0.000 0.698 279 G HN 0.426 nan 8.290 nan 0.000 0.521 280 V N 2.730 122.678 119.914 0.057 0.000 2.289 280 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 280 V C -1.477 174.670 176.094 0.087 0.000 1.026 280 V CA -1.347 61.003 62.300 0.082 0.000 0.807 280 V CB 1.563 33.452 31.823 0.111 0.000 1.044 280 V HN 0.300 nan 8.190 nan 0.000 0.443 281 P HA 0.091 nan 4.420 nan 0.000 0.267 281 P C 1.151 178.499 177.300 0.079 0.000 1.205 281 P CA 0.217 63.353 63.100 0.061 0.000 0.765 281 P CB 1.457 33.181 31.700 0.039 0.000 0.828 282 S N 3.525 119.270 115.700 0.076 0.000 2.374 282 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 282 S C 1.955 176.607 174.600 0.087 0.000 1.037 282 S CA 1.180 59.430 58.200 0.084 0.000 1.024 282 S CB -1.327 61.912 63.200 0.065 0.000 0.861 282 S HN 0.522 nan 8.310 nan 0.000 0.456 283 A N 1.687 124.551 122.820 0.074 0.000 2.076 283 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 283 A C 2.174 179.840 177.584 0.136 0.000 1.160 283 A CA 1.478 53.568 52.037 0.087 0.000 0.653 283 A CB -0.466 18.568 19.000 0.056 0.000 0.801 283 A HN 0.659 nan 8.150 nan 0.000 0.455 284 K N -0.875 119.593 120.400 0.113 0.000 2.367 284 K HA 0.281 4.601 4.320 -0.000 0.000 0.194 284 K C -0.265 176.456 176.600 0.202 0.000 1.027 284 K CA -0.055 56.316 56.287 0.139 0.000 1.075 284 K CB 0.265 32.797 32.500 0.053 0.000 0.845 284 K HN 0.452 nan 8.250 nan 0.000 0.529 285 I N 2.174 122.834 120.570 0.150 0.000 2.416 285 I HA 0.059 4.229 4.170 -0.000 0.000 0.288 285 I C -0.307 175.867 176.117 0.095 0.000 1.051 285 I CA -0.447 60.915 61.300 0.103 0.000 1.375 285 I CB 1.191 39.238 38.000 0.078 0.000 1.407 285 I HN -0.276 nan 8.210 nan 0.000 0.516 286 V N 7.580 127.531 119.914 0.061 0.000 2.495 286 V HA 0.312 4.432 4.120 -0.000 0.000 0.298 286 V C 0.078 176.197 176.094 0.043 0.000 1.031 286 V CA -0.693 61.619 62.300 0.019 0.000 0.871 286 V CB 1.932 33.712 31.823 -0.072 0.000 0.988 286 V HN 0.690 nan 8.190 nan 0.000 0.432 287 M N 4.368 124.015 119.600 0.078 0.000 2.105 287 M HA 0.487 4.967 4.480 -0.000 0.000 0.350 287 M C 0.532 176.921 176.300 0.149 0.000 1.308 287 M CA -0.173 55.189 55.300 0.103 0.000 1.108 287 M CB 0.381 33.059 32.600 0.129 0.000 1.622 287 M HN 0.812 nan 8.290 nan 0.000 0.468 288 G N 4.265 113.176 108.800 0.185 0.000 2.415 288 G HA2 0.521 4.481 3.960 -0.000 0.000 0.269 288 G HA3 0.521 4.481 3.960 -0.000 0.000 0.269 288 G C -0.802 174.383 174.900 0.474 0.000 1.209 288 G CA -0.512 44.809 45.100 0.367 0.000 0.835 288 G HN 0.798 nan 8.290 nan 0.000 0.534 289 V N -0.172 120.003 119.914 0.435 0.000 2.925 289 V HA 0.857 4.977 4.120 -0.000 0.000 0.311 289 V C -2.702 173.472 176.094 0.134 0.000 1.104 289 V CA -2.619 59.879 62.300 0.330 0.000 0.954 289 V CB 2.632 34.570 31.823 0.192 0.000 1.022 289 V HN 0.664 nan 8.190 nan 0.000 0.427 290 P HA 0.469 nan 4.420 nan 0.000 0.290 290 P C -0.853 176.591 177.300 0.240 0.000 1.275 290 P CA -0.312 62.627 63.100 -0.269 0.000 0.841 290 P CB 1.632 32.821 31.700 -0.851 0.000 1.042 291 F N 1.923 121.871 119.950 -0.004 0.000 2.668 291 F HA 0.249 4.776 4.527 -0.000 0.000 0.297 291 F C 0.315 176.179 175.800 0.107 0.000 1.124 291 F CA -0.491 57.532 58.000 0.038 0.000 1.353 291 F CB -0.547 38.450 39.000 -0.004 0.000 0.992 291 F HN 0.245 nan 8.300 nan 0.000 0.524 292 Y N -2.614 117.810 120.300 0.207 0.000 2.615 292 Y HA 0.852 5.402 4.550 -0.000 0.000 0.341 292 Y C -0.231 175.753 175.900 0.140 0.000 1.089 292 Y CA -2.241 55.933 58.100 0.124 0.000 1.049 292 Y CB 0.888 39.399 38.460 0.086 0.000 1.296 292 Y HN -0.111 nan 8.280 nan 0.000 0.470 293 G N 1.095 109.995 108.800 0.168 0.000 2.511 293 G HA2 0.680 4.640 3.960 -0.000 0.000 0.318 293 G HA3 0.680 4.640 3.960 -0.000 0.000 0.318 293 G C -1.520 173.487 174.900 0.180 0.000 1.210 293 G CA -1.572 43.603 45.100 0.124 0.000 0.969 293 G HN 0.661 nan 8.290 nan 0.000 0.484 294 R N -0.032 120.560 120.500 0.153 0.000 2.393 294 R HA 0.605 4.945 4.340 -0.000 0.000 0.310 294 R C -0.315 176.016 176.300 0.051 0.000 0.968 294 R CA -0.452 55.695 56.100 0.079 0.000 0.867 294 R CB 1.972 32.316 30.300 0.074 0.000 1.124 294 R HN 0.584 nan 8.270 nan 0.000 0.450 295 A N 3.594 126.379 122.820 -0.058 0.000 2.324 295 A HA 0.731 5.051 4.320 -0.000 0.000 0.330 295 A C -1.048 176.576 177.584 0.066 0.000 1.165 295 A CA -0.443 51.670 52.037 0.128 0.000 0.813 295 A CB 0.541 19.628 19.000 0.145 0.000 1.197 295 A HN 0.559 nan 8.150 nan 0.000 0.484 296 F N 0.777 120.894 119.950 0.278 0.000 2.563 296 F HA 0.603 5.130 4.527 -0.000 0.000 0.316 296 F C 0.483 176.250 175.800 -0.055 0.000 1.076 296 F CA -0.561 57.493 58.000 0.090 0.000 0.921 296 F CB 2.391 41.363 39.000 -0.047 0.000 1.209 296 F HN 0.676 nan 8.300 nan 0.000 0.462 297 K N -0.289 119.986 120.400 -0.208 0.000 2.340 297 K HA 0.795 5.115 4.320 -0.000 0.000 0.244 297 K C 0.263 176.783 176.600 -0.133 0.000 0.973 297 K CA -0.702 55.329 56.287 -0.426 0.000 0.828 297 K CB 2.069 33.797 32.500 -1.287 0.000 1.226 297 K HN 0.921 nan 8.250 nan 0.000 0.437 298 G N 0.186 108.930 108.800 -0.093 0.000 2.137 298 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.237 298 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.237 298 G C -0.004 174.922 174.900 0.043 0.000 1.002 298 G CA 0.070 45.155 45.100 -0.025 0.000 0.702 298 G HN 0.950 nan 8.290 nan 0.000 0.515 299 V N -1.337 118.629 119.914 0.088 0.000 3.036 299 V HA 0.927 5.047 4.120 -0.000 0.000 0.308 299 V C 0.633 176.786 176.094 0.099 0.000 1.070 299 V CA 0.083 62.434 62.300 0.085 0.000 1.056 299 V CB 1.704 33.592 31.823 0.109 0.000 1.084 299 V HN 1.529 nan 8.190 nan 0.000 0.471 300 S N 1.551 117.279 115.700 0.046 0.000 2.578 300 S HA 0.820 5.290 4.470 -0.000 0.000 0.301 300 S C 0.249 174.874 174.600 0.042 0.000 1.091 300 S CA -0.127 58.107 58.200 0.056 0.000 1.032 300 S CB 1.181 64.384 63.200 0.006 0.000 1.064 300 S HN 1.683 nan 8.310 nan 0.000 0.508 301 G N -0.534 108.322 108.800 0.093 0.000 2.651 301 G HA2 0.511 4.471 3.960 -0.000 0.000 0.260 301 G HA3 0.511 4.471 3.960 -0.000 0.000 0.260 301 G C 0.919 175.780 174.900 -0.065 0.000 1.216 301 G CA -0.227 44.894 45.100 0.034 0.000 0.913 301 G HN 2.013 nan 8.290 nan 0.000 0.535 302 G N -0.774 107.964 108.800 -0.103 0.000 2.481 302 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.200 302 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.200 302 G C 0.592 175.423 174.900 -0.115 0.000 1.012 302 G CA 0.457 45.509 45.100 -0.081 0.000 0.676 302 G HN 0.826 nan 8.290 nan 0.000 0.488 303 N N 0.158 118.733 118.700 -0.210 0.000 2.377 303 N HA 0.459 5.199 4.740 -0.000 0.000 0.259 303 N C 1.125 176.450 175.510 -0.309 0.000 1.332 303 N CA 0.854 53.770 53.050 -0.224 0.000 0.877 303 N CB 0.692 39.027 38.487 -0.253 0.000 1.299 303 N HN 1.288 nan 8.380 nan 0.000 0.501 304 G N 0.215 108.758 108.800 -0.428 0.000 2.225 304 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.267 304 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.267 304 G C 0.961 175.492 174.900 -0.616 0.000 1.024 304 G CA 0.410 45.158 45.100 -0.586 0.000 0.784 304 G HN 0.798 nan 8.290 nan 0.000 0.507 305 G N -2.061 106.318 108.800 -0.702 0.000 2.195 305 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.246 305 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.246 305 G C 0.357 174.706 174.900 -0.919 0.000 0.984 305 G CA 0.906 45.792 45.100 -0.357 0.000 0.633 305 G HN 1.217 nan 8.290 nan 0.000 0.525 306 Q N -0.768 118.415 119.800 -1.029 0.000 2.340 306 Q HA 0.500 4.840 4.340 -0.000 0.000 0.249 306 Q C 0.508 175.827 176.000 -1.136 0.000 0.957 306 Q CA -0.563 54.296 55.803 -1.573 0.000 0.882 306 Q CB 0.411 28.076 28.738 -1.788 0.000 1.235 306 Q HN 0.624 nan 8.270 nan 0.000 0.439 307 Y N -1.477 118.422 120.300 -0.667 0.000 3.491 307 Y HA -0.268 4.282 4.550 -0.000 0.000 0.215 307 Y C 0.054 175.747 175.900 -0.346 0.000 1.219 307 Y CA 0.733 58.576 58.100 -0.428 0.000 1.485 307 Y CB -2.394 35.882 38.460 -0.307 0.000 1.450 307 Y HN 0.504 nan 8.280 nan 0.000 0.603 308 S N -0.236 115.275 115.700 -0.314 0.000 2.621 308 S HA 0.810 5.280 4.470 -0.000 0.000 0.302 308 S C 0.398 174.919 174.600 -0.131 0.000 1.093 308 S CA -0.107 57.969 58.200 -0.207 0.000 1.017 308 S CB 1.345 64.407 63.200 -0.230 0.000 1.077 308 S HN 0.500 nan 8.310 nan 0.000 0.517 309 S N 1.620 117.271 115.700 -0.081 0.000 2.600 309 S HA 0.580 5.050 4.470 -0.000 0.000 0.265 309 S C -0.272 174.326 174.600 -0.004 0.000 1.325 309 S CA -0.245 57.914 58.200 -0.069 0.000 1.002 309 S CB 0.121 63.266 63.200 -0.092 0.000 0.921 309 S HN 1.083 nan 8.310 nan 0.000 0.554 310 H N -2.382 116.663 119.070 -0.041 0.000 2.933 310 H HA 0.698 5.254 4.556 -0.000 0.000 0.310 310 H C -0.664 174.665 175.328 0.002 0.000 1.351 310 H CA -0.533 55.512 56.048 -0.006 0.000 1.137 310 H CB 0.925 30.734 29.762 0.078 0.000 1.853 310 H HN 0.566 nan 8.280 nan 0.000 0.539 311 S N -0.396 115.349 115.700 0.074 0.000 2.668 311 S HA 0.276 4.746 4.470 -0.000 0.000 0.244 311 S C -0.691 173.978 174.600 0.115 0.000 1.140 311 S CA -0.484 57.714 58.200 -0.003 0.000 1.134 311 S CB -0.679 62.491 63.200 -0.050 0.000 0.954 311 S HN 0.653 nan 8.310 nan 0.000 0.490 312 T N 4.425 119.243 114.554 0.440 0.000 2.806 312 T HA 0.481 4.831 4.350 -0.000 0.000 0.290 312 T C -2.816 172.076 174.700 0.319 0.000 0.966 312 T CA -1.263 61.045 62.100 0.346 0.000 1.060 312 T CB 0.996 70.020 68.868 0.260 0.000 0.927 312 T HN 0.182 nan 8.240 nan 0.000 0.485 313 P HA 0.267 nan 4.420 nan 0.000 0.276 313 P C 0.839 178.299 177.300 0.266 0.000 1.235 313 P CA -0.269 62.979 63.100 0.247 0.000 0.772 313 P CB 0.614 32.446 31.700 0.220 0.000 0.871 314 G N 2.204 111.150 108.800 0.243 0.000 2.777 314 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.211 314 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.211 314 G C 0.291 175.348 174.900 0.263 0.000 1.149 314 G CA 0.051 45.327 45.100 0.294 0.000 0.785 314 G HN 0.412 nan 8.290 nan 0.000 0.536 315 E N 0.938 121.256 120.200 0.198 0.000 2.408 315 E HA 0.354 4.704 4.350 -0.000 0.000 0.259 315 E C -0.654 176.049 176.600 0.173 0.000 1.110 315 E CA 0.379 56.873 56.400 0.158 0.000 0.929 315 E CB 0.721 30.485 29.700 0.106 0.000 0.971 315 E HN 0.042 nan 8.360 nan 0.000 0.438 316 D N 1.790 122.278 120.400 0.147 0.000 2.863 316 D HA 0.245 4.885 4.640 -0.000 0.000 0.245 316 D C -2.038 174.336 176.300 0.124 0.000 1.211 316 D CA -1.094 52.994 54.000 0.146 0.000 0.888 316 D CB 1.335 42.224 40.800 0.147 0.000 1.483 316 D HN 0.313 nan 8.370 nan 0.000 0.533 317 P HA 0.066 nan 4.420 nan 0.000 0.274 317 P C -0.328 177.073 177.300 0.169 0.000 1.260 317 P CA -0.419 62.759 63.100 0.129 0.000 0.793 317 P CB 0.703 32.466 31.700 0.104 0.000 1.048 318 Y N 2.419 122.761 120.300 0.070 0.000 2.770 318 Y HA 0.022 4.572 4.550 -0.000 0.000 0.342 318 Y C -1.058 174.900 175.900 0.097 0.000 1.221 318 Y CA -1.505 56.650 58.100 0.090 0.000 1.560 318 Y CB 0.273 38.788 38.460 0.092 0.000 1.213 318 Y HN 0.235 nan 8.280 nan 0.000 0.525 319 P HA -0.001 nan 4.420 nan 0.000 0.269 319 P C -0.620 176.443 177.300 -0.395 0.000 1.601 319 P CA 0.515 63.471 63.100 -0.239 0.000 0.831 319 P CB 0.122 31.753 31.700 -0.115 0.000 1.688 320 S N -1.656 113.651 115.700 -0.655 0.000 2.636 320 S HA 0.394 4.864 4.470 -0.000 0.000 0.268 320 S C 0.041 174.520 174.600 -0.201 0.000 1.159 320 S CA -0.219 57.692 58.200 -0.481 0.000 0.815 320 S CB 1.305 64.157 63.200 -0.579 0.000 1.130 320 S HN -0.070 nan 8.310 nan 0.000 0.471 321 T N 0.555 115.027 114.554 -0.137 0.000 3.091 321 T HA 0.287 4.637 4.350 -0.000 0.000 0.277 321 T C -0.524 173.791 174.700 -0.641 0.000 0.996 321 T CA 0.032 61.954 62.100 -0.296 0.000 0.897 321 T CB -0.360 68.390 68.868 -0.196 0.000 1.109 321 T HN 0.527 nan 8.240 nan 0.000 0.534 322 D N 1.702 121.987 120.400 -0.192 0.000 2.393 322 D HA 0.124 4.764 4.640 -0.000 0.000 0.232 322 D C -0.992 175.325 176.300 0.028 0.000 1.192 322 D CA -0.429 53.535 54.000 -0.061 0.000 0.882 322 D CB -0.021 40.898 40.800 0.198 0.000 1.038 322 D HN 0.250 nan 8.370 nan 0.000 0.499 323 Y N 4.858 125.168 120.300 0.018 0.000 2.691 323 Y HA 0.155 4.705 4.550 -0.000 0.000 0.338 323 Y C 0.832 176.612 175.900 -0.201 0.000 1.148 323 Y CA -1.315 56.632 58.100 -0.255 0.000 1.430 323 Y CB -0.285 38.056 38.460 -0.198 0.000 1.303 323 Y HN 0.531 nan 8.280 nan 0.000 0.499 324 W N 1.087 122.448 121.300 0.101 0.000 3.180 324 W HA 0.199 4.859 4.660 -0.000 0.000 0.254 324 W C -0.489 176.022 176.519 -0.014 0.000 1.318 324 W CA -0.446 56.919 57.345 0.033 0.000 1.608 324 W CB 0.020 29.504 29.460 0.039 0.000 1.124 324 W HN 0.314 nan 8.180 nan 0.000 0.694 325 L N 4.093 125.243 121.223 -0.123 0.000 2.404 325 L HA 0.169 4.509 4.340 -0.000 0.000 0.277 325 L C 0.720 177.575 176.870 -0.025 0.000 1.184 325 L CA -1.072 53.759 54.840 -0.016 0.000 1.013 325 L CB -0.305 41.581 42.059 -0.287 0.000 1.318 325 L HN 0.003 nan 8.230 nan 0.000 0.435 326 V N 3.401 123.335 119.914 0.032 0.000 2.644 326 V HA 0.418 4.538 4.120 -0.000 0.000 0.305 326 V C 1.333 177.298 176.094 -0.215 0.000 1.053 326 V CA 0.424 62.684 62.300 -0.067 0.000 1.186 326 V CB -0.100 31.669 31.823 -0.090 0.000 0.895 326 V HN 1.129 nan 8.190 nan 0.000 0.490 327 G N 2.030 110.546 108.800 -0.474 0.000 2.253 327 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.251 327 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.251 327 G C 0.668 175.278 174.900 -0.484 0.000 0.998 327 G CA 0.186 44.694 45.100 -0.986 0.000 0.621 327 G HN 1.764 nan 8.290 nan 0.000 0.524 328 C N 3.315 122.425 119.300 -0.317 0.000 2.428 328 C HA 0.552 5.012 4.460 -0.000 0.000 0.362 328 C C 2.046 176.903 174.990 -0.222 0.000 1.114 328 C CA 0.133 58.991 59.018 -0.265 0.000 1.473 328 C CB -0.821 26.756 27.740 -0.272 0.000 2.003 328 C HN 0.502 nan 8.230 nan 0.000 0.526 329 E N 2.446 122.538 120.200 -0.180 0.000 2.051 329 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 329 E C 1.647 178.152 176.600 -0.158 0.000 0.991 329 E CA 1.474 57.791 56.400 -0.137 0.000 0.799 329 E CB -0.298 29.349 29.700 -0.089 0.000 0.748 329 E HN 0.821 nan 8.360 nan 0.000 0.449 330 E N 0.399 120.507 120.200 -0.153 0.000 2.219 330 E HA -0.158 4.191 4.350 -0.000 0.000 0.198 330 E C 2.170 178.641 176.600 -0.214 0.000 0.998 330 E CA 1.195 57.505 56.400 -0.150 0.000 0.818 330 E CB -0.307 29.320 29.700 -0.122 0.000 0.741 330 E HN 0.237 nan 8.360 nan 0.000 0.477 331 C N 0.139 119.275 119.300 -0.273 0.000 2.422 331 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 331 C C 2.675 177.339 174.990 -0.543 0.000 1.305 331 C CA 0.205 58.991 59.018 -0.388 0.000 1.757 331 C CB -0.633 26.852 27.740 -0.425 0.000 1.962 331 C HN 0.268 nan 8.230 nan 0.000 0.499 332 V N 0.874 120.510 119.914 -0.462 0.000 2.379 332 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 332 V C 2.727 178.590 176.094 -0.384 0.000 1.044 332 V CA 1.863 63.838 62.300 -0.543 0.000 1.036 332 V CB -0.713 30.977 31.823 -0.222 0.000 0.664 332 V HN 0.505 nan 8.190 nan 0.000 0.453 333 R N 0.275 120.633 120.500 -0.237 0.000 2.105 333 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 333 R C 1.228 177.432 176.300 -0.161 0.000 1.135 333 R CA 1.952 57.962 56.100 -0.151 0.000 0.967 333 R CB -0.159 30.079 30.300 -0.103 0.000 0.861 333 R HN 0.488 nan 8.270 nan 0.000 0.442 334 D N 0.275 120.544 120.400 -0.218 0.000 2.363 334 D HA 0.050 4.690 4.640 -0.000 0.000 0.214 334 D C -0.257 175.902 176.300 -0.236 0.000 1.093 334 D CA 0.074 53.966 54.000 -0.179 0.000 0.837 334 D CB 0.399 41.113 40.800 -0.144 0.000 0.948 334 D HN 0.137 nan 8.370 nan 0.000 0.507 335 K N 1.278 121.425 120.400 -0.423 0.000 3.156 335 K HA -0.185 4.135 4.320 -0.000 0.000 0.266 335 K C -0.532 175.888 176.600 -0.301 0.000 0.966 335 K CA 0.601 56.595 56.287 -0.488 0.000 0.719 335 K CB -1.025 31.462 32.500 -0.023 0.000 1.333 335 K HN 0.107 nan 8.250 nan 0.000 0.468 336 D N -0.749 119.331 120.400 -0.533 0.000 2.738 336 D HA 0.107 4.747 4.640 -0.000 0.000 0.218 336 D C -2.362 173.520 176.300 -0.698 0.000 1.345 336 D CA -1.477 52.170 54.000 -0.588 0.000 0.943 336 D CB 1.671 42.284 40.800 -0.311 0.000 1.514 336 D HN -0.139 nan 8.370 nan 0.000 0.585 337 P HA 0.175 nan 4.420 nan 0.000 0.261 337 P C 0.685 177.453 177.300 -0.886 0.000 1.268 337 P CA -0.028 62.441 63.100 -1.051 0.000 0.833 337 P CB 0.547 31.207 31.700 -1.733 0.000 1.231 338 R N -0.596 119.546 120.500 -0.597 0.000 2.297 338 R HA 0.234 4.574 4.340 -0.000 0.000 0.197 338 R C 0.576 176.758 176.300 -0.197 0.000 0.943 338 R CA 0.382 56.305 56.100 -0.296 0.000 1.038 338 R CB 0.221 30.420 30.300 -0.168 0.000 0.957 338 R HN 0.166 nan 8.270 nan 0.000 0.484 339 I N 0.296 120.745 120.570 -0.201 0.000 2.569 339 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 339 I C -0.983 175.070 176.117 -0.107 0.000 1.088 339 I CA -0.918 60.331 61.300 -0.085 0.000 1.047 339 I CB 1.969 39.910 38.000 -0.097 0.000 1.237 339 I HN -0.119 nan 8.210 nan 0.000 0.421 340 A N 4.133 126.935 122.820 -0.030 0.000 2.427 340 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 340 A C -0.083 177.499 177.584 -0.003 0.000 1.036 340 A CA -0.526 51.460 52.037 -0.085 0.000 0.701 340 A CB 1.524 20.412 19.000 -0.185 0.000 1.250 340 A HN 0.771 nan 8.150 nan 0.000 0.412 341 S N 1.756 117.442 115.700 -0.023 0.000 2.573 341 S HA 0.141 4.611 4.470 -0.000 0.000 0.277 341 S C 0.911 175.492 174.600 -0.031 0.000 1.346 341 S CA 0.364 58.576 58.200 0.019 0.000 1.034 341 S CB 0.078 63.254 63.200 -0.041 0.000 0.879 341 S HN 1.207 nan 8.310 nan 0.000 0.528 342 Y N 3.067 123.325 120.300 -0.071 0.000 2.151 342 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 342 Y C 2.667 178.479 175.900 -0.147 0.000 1.166 342 Y CA 2.273 60.295 58.100 -0.129 0.000 1.163 342 Y CB -0.372 37.980 38.460 -0.179 0.000 0.974 342 Y HN 0.864 nan 8.280 nan 0.000 0.511 343 R N -0.045 120.356 120.500 -0.165 0.000 2.094 343 R HA -0.315 4.025 4.340 -0.000 0.000 0.239 343 R C 2.370 178.519 176.300 -0.253 0.000 1.137 343 R CA 2.300 58.285 56.100 -0.191 0.000 0.943 343 R CB -0.467 29.796 30.300 -0.061 0.000 0.850 343 R HN 0.440 nan 8.270 nan 0.000 0.433 344 Q N 0.608 120.280 119.800 -0.214 0.000 2.079 344 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 344 Q C 2.158 177.976 176.000 -0.304 0.000 0.974 344 Q CA 1.656 57.328 55.803 -0.217 0.000 0.840 344 Q CB -0.288 28.335 28.738 -0.192 0.000 0.898 344 Q HN 0.482 nan 8.270 nan 0.000 0.430 345 L N 0.308 121.292 121.223 -0.398 0.000 2.042 345 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 345 L C 2.564 179.129 176.870 -0.509 0.000 1.076 345 L CA 1.928 56.456 54.840 -0.520 0.000 0.749 345 L CB -0.571 41.097 42.059 -0.651 0.000 0.893 345 L HN 0.441 nan 8.230 nan 0.000 0.432 346 E N -0.083 119.749 120.200 -0.613 0.000 2.058 346 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 346 E C 2.181 178.628 176.600 -0.256 0.000 0.997 346 E CA 1.533 57.633 56.400 -0.499 0.000 0.801 346 E CB 0.027 29.365 29.700 -0.603 0.000 0.746 346 E HN 0.531 nan 8.360 nan 0.000 0.450 347 Q N -0.268 119.406 119.800 -0.211 0.000 2.050 347 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 347 Q C 2.302 178.301 176.000 -0.002 0.000 0.980 347 Q CA 1.831 57.582 55.803 -0.086 0.000 0.840 347 Q CB -0.127 28.568 28.738 -0.071 0.000 0.898 347 Q HN 0.371 nan 8.270 nan 0.000 0.424 348 M N 0.269 119.826 119.600 -0.071 0.000 2.108 348 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 348 M C 2.118 178.527 176.300 0.182 0.000 1.066 348 M CA 1.399 56.730 55.300 0.052 0.000 1.107 348 M CB -0.260 32.193 32.600 -0.245 0.000 1.356 348 M HN 0.215 nan 8.290 nan 0.000 0.406 349 L N 0.169 121.383 121.223 -0.015 0.000 2.012 349 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 349 L C 2.675 179.578 176.870 0.055 0.000 1.073 349 L CA 1.526 56.378 54.840 0.021 0.000 0.748 349 L CB -0.498 41.520 42.059 -0.068 0.000 0.891 349 L HN 0.477 nan 8.230 nan 0.000 0.431 350 Q N -1.100 118.714 119.800 0.024 0.000 2.444 350 Q HA 0.006 4.346 4.340 -0.000 0.000 0.206 350 Q C 1.451 177.458 176.000 0.011 0.000 0.948 350 Q CA 0.806 56.616 55.803 0.011 0.000 0.946 350 Q CB -0.040 28.692 28.738 -0.009 0.000 1.027 350 Q HN 0.394 nan 8.270 nan 0.000 0.513 351 G N 1.644 110.483 108.800 0.064 0.000 3.042 351 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 351 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 351 G C 0.335 175.019 174.900 -0.360 0.000 1.166 351 G CA -0.231 44.818 45.100 -0.084 0.000 0.767 351 G HN 0.603 nan 8.290 nan 0.000 0.546 352 N N -0.920 117.693 118.700 -0.144 0.000 2.727 352 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 352 N C -0.231 175.139 175.510 -0.233 0.000 1.040 352 N CA 0.168 53.120 53.050 -0.163 0.000 0.712 352 N CB -0.842 37.533 38.487 -0.186 0.000 0.912 352 N HN 0.428 nan 8.380 nan 0.000 0.545 353 Y N -0.574 119.755 120.300 0.048 0.000 2.485 353 Y HA 0.299 4.849 4.550 -0.000 0.000 0.260 353 Y C 1.903 177.745 175.900 -0.097 0.000 1.173 353 Y CA 0.846 58.963 58.100 0.028 0.000 1.252 353 Y CB 0.632 39.178 38.460 0.144 0.000 1.123 353 Y HN 0.410 nan 8.280 nan 0.000 0.524 354 G N -1.106 107.660 108.800 -0.057 0.000 2.159 354 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.227 354 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.227 354 G C -0.364 174.267 174.900 -0.447 0.000 0.986 354 G CA -0.557 44.326 45.100 -0.362 0.000 0.651 354 G HN 0.231 nan 8.290 nan 0.000 0.523 355 Y N 0.593 120.911 120.300 0.030 0.000 2.299 355 Y HA 0.604 5.154 4.550 -0.000 0.000 0.326 355 Y C 0.672 176.573 175.900 0.002 0.000 1.164 355 Y CA -0.285 57.841 58.100 0.044 0.000 1.234 355 Y CB 1.337 39.850 38.460 0.089 0.000 1.219 355 Y HN 0.267 nan 8.280 nan 0.000 0.497 356 Q N 4.124 124.036 119.800 0.185 0.000 2.325 356 Q HA 0.352 4.692 4.340 -0.000 0.000 0.270 356 Q C -0.904 175.155 176.000 0.099 0.000 1.020 356 Q CA -1.019 54.853 55.803 0.115 0.000 0.785 356 Q CB 1.161 29.959 28.738 0.100 0.000 1.259 356 Q HN 0.750 nan 8.270 nan 0.000 0.452 357 R N 5.019 125.555 120.500 0.059 0.000 2.298 357 R HA 0.389 4.729 4.340 -0.000 0.000 0.310 357 R C -1.087 175.180 176.300 -0.055 0.000 1.068 357 R CA 0.008 56.124 56.100 0.027 0.000 0.957 357 R CB 0.368 30.716 30.300 0.080 0.000 1.003 357 R HN 0.674 nan 8.270 nan 0.000 0.454 358 L N 3.583 124.637 121.223 -0.282 0.000 2.286 358 L HA 0.590 4.930 4.340 -0.000 0.000 0.265 358 L C -0.742 175.969 176.870 -0.266 0.000 1.012 358 L CA -1.040 53.558 54.840 -0.403 0.000 0.818 358 L CB 2.008 43.554 42.059 -0.856 0.000 1.337 358 L HN 0.641 nan 8.230 nan 0.000 0.438 359 W N 2.055 123.242 121.300 -0.189 0.000 2.839 359 W HA 0.316 4.976 4.660 -0.000 0.000 0.334 359 W C -1.466 175.153 176.519 0.167 0.000 1.064 359 W CA -0.540 56.804 57.345 -0.000 0.000 1.236 359 W CB 1.935 31.381 29.460 -0.023 0.000 1.405 359 W HN 0.444 nan 8.180 nan 0.000 0.478 360 N N 4.066 122.455 118.700 -0.518 0.000 2.485 360 N HA 0.028 4.768 4.740 -0.000 0.000 0.243 360 N C 0.034 175.116 175.510 -0.714 0.000 0.987 360 N CA 0.188 53.012 53.050 -0.376 0.000 0.940 360 N CB 1.155 39.421 38.487 -0.368 0.000 1.122 360 N HN 0.437 nan 8.380 nan 0.000 0.509 361 D N 2.431 122.676 120.400 -0.259 0.000 2.378 361 D HA 0.023 4.663 4.640 -0.000 0.000 0.227 361 D C 1.117 177.375 176.300 -0.069 0.000 1.012 361 D CA 0.880 54.862 54.000 -0.030 0.000 0.905 361 D CB 0.602 41.545 40.800 0.239 0.000 0.895 361 D HN 0.421 nan 8.370 nan 0.000 0.532 362 K N -0.993 119.338 120.400 -0.115 0.000 2.121 362 K HA 0.021 4.340 4.320 -0.000 0.000 0.203 362 K C 2.128 178.695 176.600 -0.054 0.000 1.041 362 K CA 1.291 57.549 56.287 -0.048 0.000 0.969 362 K CB -0.698 31.788 32.500 -0.022 0.000 0.799 362 K HN 0.245 nan 8.250 nan 0.000 0.456 363 T N -0.535 113.896 114.554 -0.205 0.000 3.023 363 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 363 T C 0.476 174.952 174.700 -0.374 0.000 1.093 363 T CA 0.263 62.209 62.100 -0.257 0.000 1.129 363 T CB -0.041 68.547 68.868 -0.467 0.000 0.899 363 T HN 0.015 nan 8.240 nan 0.000 0.491 364 K N 2.243 122.301 120.400 -0.571 0.000 3.162 364 K HA -0.112 4.208 4.320 -0.000 0.000 0.268 364 K C -0.108 175.956 176.600 -0.895 0.000 1.062 364 K CA 1.206 57.043 56.287 -0.750 0.000 0.769 364 K CB -2.729 29.450 32.500 -0.534 0.000 1.274 364 K HN 0.913 nan 8.250 nan 0.000 0.478 365 T N -2.441 111.358 114.554 -1.260 0.000 2.923 365 T HA 0.693 5.043 4.350 -0.000 0.000 0.311 365 T C -3.007 171.201 174.700 -0.820 0.000 1.183 365 T CA -1.633 59.953 62.100 -0.858 0.000 1.020 365 T CB 3.798 72.373 68.868 -0.489 0.000 1.165 365 T HN -0.136 nan 8.240 nan 0.000 0.482 366 P HA 0.595 nan 4.420 nan 0.000 0.283 366 P C -1.656 175.654 177.300 0.017 0.000 1.278 366 P CA -0.548 62.475 63.100 -0.128 0.000 0.834 366 P CB 0.815 32.422 31.700 -0.156 0.000 1.150 367 Y N -2.208 118.146 120.300 0.089 0.000 2.624 367 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 367 Y C -1.829 174.171 175.900 0.167 0.000 1.155 367 Y CA -1.402 56.756 58.100 0.097 0.000 1.046 367 Y CB 0.554 38.960 38.460 -0.090 0.000 1.316 367 Y HN 0.096 nan 8.280 nan 0.000 0.457 368 L N 2.813 124.107 121.223 0.119 0.000 2.334 368 L HA 0.550 4.890 4.340 -0.000 0.000 0.276 368 L C -1.427 175.652 176.870 0.349 0.000 1.014 368 L CA -1.104 53.815 54.840 0.131 0.000 0.815 368 L CB 1.958 44.008 42.059 -0.015 0.000 1.268 368 L HN 0.766 nan 8.230 nan 0.000 0.428 369 Y N 2.242 122.699 120.300 0.261 0.000 2.406 369 Y HA 0.355 4.905 4.550 -0.000 0.000 0.340 369 Y C -0.880 175.198 175.900 0.296 0.000 0.975 369 Y CA -0.903 57.394 58.100 0.328 0.000 1.056 369 Y CB 1.219 39.856 38.460 0.296 0.000 1.210 369 Y HN 0.493 nan 8.280 nan 0.000 0.448 370 H N 6.053 124.934 119.070 -0.316 0.000 2.725 370 H HA 0.495 5.051 4.556 -0.000 0.000 0.283 370 H C 0.140 175.010 175.328 -0.763 0.000 1.110 370 H CA 0.506 56.297 56.048 -0.429 0.000 1.289 370 H CB 1.437 31.013 29.762 -0.310 0.000 1.400 370 H HN 0.970 nan 8.280 nan 0.000 0.493 371 A N 3.894 126.163 122.820 -0.918 0.000 1.933 371 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 371 A C 2.253 179.681 177.584 -0.259 0.000 1.175 371 A CA 1.676 53.315 52.037 -0.664 0.000 0.628 371 A CB -0.342 18.481 19.000 -0.296 0.000 0.814 371 A HN 0.801 nan 8.150 nan 0.000 0.444 372 Q N -0.411 119.235 119.800 -0.256 0.000 1.993 372 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 372 Q C 1.059 177.116 176.000 0.095 0.000 0.984 372 Q CA 1.986 57.754 55.803 -0.058 0.000 0.837 372 Q CB -0.160 28.538 28.738 -0.066 0.000 0.902 372 Q HN 0.626 nan 8.270 nan 0.000 0.423 373 N N -0.762 118.131 118.700 0.323 0.000 2.336 373 N HA 0.139 4.879 4.740 -0.000 0.000 0.189 373 N C -0.048 175.482 175.510 0.034 0.000 1.113 373 N CA 0.863 53.965 53.050 0.087 0.000 0.858 373 N CB 0.943 39.330 38.487 -0.166 0.000 0.970 373 N HN 0.442 nan 8.380 nan 0.000 0.471 374 G N 0.721 109.555 108.800 0.057 0.000 2.298 374 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.287 374 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.287 374 G C -0.454 174.524 174.900 0.129 0.000 1.075 374 G CA -0.016 45.136 45.100 0.088 0.000 0.960 374 G HN 0.237 nan 8.290 nan 0.000 0.502 375 L N -1.061 120.266 121.223 0.172 0.000 2.331 375 L HA 0.893 5.233 4.340 -0.000 0.000 0.275 375 L C -0.104 177.069 176.870 0.506 0.000 1.022 375 L CA -1.277 53.737 54.840 0.290 0.000 0.812 375 L CB 1.874 44.103 42.059 0.285 0.000 1.257 375 L HN 0.163 nan 8.230 nan 0.000 0.435 376 F N 2.167 122.325 119.950 0.346 0.000 2.561 376 F HA 0.696 5.223 4.527 -0.000 0.000 0.313 376 F C -1.315 174.702 175.800 0.363 0.000 1.126 376 F CA -0.594 57.611 58.000 0.341 0.000 0.918 376 F CB 1.760 40.849 39.000 0.149 0.000 1.199 376 F HN 0.039 nan 8.300 nan 0.000 0.444 377 V N 4.178 123.854 119.914 -0.397 0.000 2.577 377 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 377 V C -0.464 175.350 176.094 -0.467 0.000 1.042 377 V CA -0.728 61.414 62.300 -0.262 0.000 0.872 377 V CB 1.743 33.466 31.823 -0.166 0.000 0.998 377 V HN 0.846 nan 8.190 nan 0.000 0.423 378 T N 5.051 119.487 114.554 -0.196 0.000 2.771 378 T HA 0.777 5.127 4.350 -0.000 0.000 0.281 378 T C -0.956 173.866 174.700 0.203 0.000 0.982 378 T CA -0.209 61.885 62.100 -0.011 0.000 0.978 378 T CB 0.637 69.571 68.868 0.110 0.000 0.930 378 T HN 0.895 nan 8.240 nan 0.000 0.447 379 Y N 1.318 121.598 120.300 -0.035 0.000 2.725 379 Y HA 0.791 5.341 4.550 -0.000 0.000 0.333 379 Y C -1.575 174.283 175.900 -0.069 0.000 1.242 379 Y CA -1.615 56.448 58.100 -0.062 0.000 1.059 379 Y CB 0.426 38.852 38.460 -0.057 0.000 1.306 379 Y HN 0.500 nan 8.280 nan 0.000 0.454 380 D N 0.556 120.785 120.400 -0.285 0.000 2.350 380 D HA 0.546 5.186 4.640 -0.000 0.000 0.238 380 D C -1.357 174.535 176.300 -0.680 0.000 0.989 380 D CA 0.041 53.733 54.000 -0.514 0.000 0.921 380 D CB 1.703 42.298 40.800 -0.342 0.000 1.297 380 D HN 0.743 nan 8.370 nan 0.000 0.490 381 D N -1.067 118.786 120.400 -0.912 0.000 2.677 381 D HA 0.358 4.998 4.640 -0.000 0.000 0.298 381 D C 0.361 176.146 176.300 -0.858 0.000 1.250 381 D CA -0.770 52.712 54.000 -0.864 0.000 0.888 381 D CB 0.434 41.088 40.800 -0.243 0.000 1.397 381 D HN 0.292 nan 8.370 nan 0.000 0.461 382 A N -0.181 122.327 122.820 -0.519 0.000 1.997 382 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 382 A C 1.857 179.454 177.584 0.021 0.000 1.172 382 A CA 2.415 54.357 52.037 -0.157 0.000 0.645 382 A CB -0.936 18.008 19.000 -0.094 0.000 0.813 382 A HN 0.696 nan 8.150 nan 0.000 0.454 383 E N -0.047 120.125 120.200 -0.047 0.000 2.051 383 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 383 E C 2.247 179.002 176.600 0.258 0.000 0.979 383 E CA 1.209 57.624 56.400 0.025 0.000 0.803 383 E CB -0.075 29.555 29.700 -0.117 0.000 0.761 383 E HN 0.752 nan 8.360 nan 0.000 0.451 384 S N 0.077 115.931 115.700 0.256 0.000 2.402 384 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 384 S C 1.736 176.564 174.600 0.380 0.000 1.021 384 S CA 0.562 58.977 58.200 0.359 0.000 0.974 384 S CB -0.468 62.743 63.200 0.018 0.000 0.800 384 S HN 0.202 nan 8.310 nan 0.000 0.484 385 F N 2.499 122.522 119.950 0.121 0.000 2.451 385 F HA 0.195 4.722 4.527 -0.000 0.000 0.299 385 F C 2.222 178.008 175.800 -0.023 0.000 1.101 385 F CA -0.096 57.961 58.000 0.096 0.000 1.436 385 F CB -0.681 38.386 39.000 0.113 0.000 1.074 385 F HN 0.272 nan 8.300 nan 0.000 0.553 386 K N -0.711 119.637 120.400 -0.088 0.000 2.025 386 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 386 K C 2.003 178.408 176.600 -0.325 0.000 1.049 386 K CA 1.731 57.627 56.287 -0.653 0.000 0.933 386 K CB -0.543 31.494 32.500 -0.770 0.000 0.714 386 K HN 0.217 nan 8.250 nan 0.000 0.438 387 Y N 1.446 121.775 120.300 0.048 0.000 2.181 387 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 387 Y C 2.210 178.191 175.900 0.136 0.000 1.146 387 Y CA 1.231 59.404 58.100 0.122 0.000 1.164 387 Y CB -0.174 38.379 38.460 0.155 0.000 0.982 387 Y HN -0.026 nan 8.280 nan 0.000 0.515 388 K N -0.168 120.396 120.400 0.274 0.000 2.097 388 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 388 K C 2.366 179.114 176.600 0.248 0.000 1.050 388 K CA 0.981 57.394 56.287 0.209 0.000 0.938 388 K CB -0.304 32.316 32.500 0.201 0.000 0.718 388 K HN 0.292 nan 8.250 nan 0.000 0.442 389 A N 1.800 124.726 122.820 0.178 0.000 1.898 389 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 389 A C 2.051 179.829 177.584 0.324 0.000 1.181 389 A CA 1.538 53.696 52.037 0.202 0.000 0.620 389 A CB -0.318 18.639 19.000 -0.071 0.000 0.819 389 A HN 0.199 nan 8.150 nan 0.000 0.442 390 K N -1.758 118.769 120.400 0.211 0.000 2.097 390 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 390 K C 1.888 178.648 176.600 0.267 0.000 1.049 390 K CA 1.665 58.081 56.287 0.215 0.000 0.933 390 K CB -0.392 32.191 32.500 0.138 0.000 0.717 390 K HN 0.528 nan 8.250 nan 0.000 0.442 391 Y N 1.106 121.513 120.300 0.177 0.000 2.181 391 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 391 Y C 1.764 177.761 175.900 0.162 0.000 1.146 391 Y CA 1.712 59.912 58.100 0.166 0.000 1.164 391 Y CB -0.014 38.511 38.460 0.108 0.000 0.982 391 Y HN 0.025 nan 8.280 nan 0.000 0.515 392 I N 0.118 120.931 120.570 0.405 0.000 2.226 392 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 392 I C 2.242 178.457 176.117 0.163 0.000 1.100 392 I CA 1.630 63.109 61.300 0.299 0.000 1.374 392 I CB -0.300 37.925 38.000 0.374 0.000 1.057 392 I HN 0.215 nan 8.210 nan 0.000 0.413 393 K N 0.188 120.710 120.400 0.203 0.000 2.031 393 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 393 K C 2.158 178.796 176.600 0.064 0.000 1.049 393 K CA 1.161 57.526 56.287 0.131 0.000 0.939 393 K CB -0.176 32.439 32.500 0.192 0.000 0.717 393 K HN 0.341 nan 8.250 nan 0.000 0.438 394 Q N 0.503 120.332 119.800 0.047 0.000 2.084 394 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 394 Q C 1.816 177.773 176.000 -0.071 0.000 0.978 394 Q CA 1.107 56.905 55.803 -0.009 0.000 0.844 394 Q CB 0.124 28.852 28.738 -0.016 0.000 0.898 394 Q HN 0.231 nan 8.270 nan 0.000 0.426 395 Q N 0.142 119.849 119.800 -0.155 0.000 2.444 395 Q HA -0.008 4.332 4.340 -0.000 0.000 0.206 395 Q C -0.253 175.724 176.000 -0.039 0.000 0.948 395 Q CA 0.287 55.993 55.803 -0.161 0.000 0.946 395 Q CB 0.488 29.023 28.738 -0.337 0.000 1.027 395 Q HN 0.414 nan 8.270 nan 0.000 0.513 396 Q N 0.455 120.250 119.800 -0.008 0.000 2.453 396 Q HA -0.193 4.147 4.340 -0.000 0.000 0.294 396 Q C -0.550 175.469 176.000 0.032 0.000 1.295 396 Q CA 0.288 56.100 55.803 0.014 0.000 0.853 396 Q CB -2.024 26.722 28.738 0.015 0.000 1.193 396 Q HN 0.369 nan 8.270 nan 0.000 0.461 397 L N -1.557 119.693 121.223 0.044 0.000 2.468 397 L HA 0.257 4.597 4.340 -0.000 0.000 0.254 397 L C 1.852 178.747 176.870 0.043 0.000 1.171 397 L CA 0.455 55.337 54.840 0.069 0.000 0.809 397 L CB 0.178 42.302 42.059 0.109 0.000 1.155 397 L HN 0.319 nan 8.230 nan 0.000 0.473 398 G N -0.472 108.374 108.800 0.078 0.000 2.443 398 G HA2 0.327 4.287 3.960 -0.000 0.000 0.219 398 G HA3 0.327 4.287 3.960 -0.000 0.000 0.219 398 G C 0.583 175.431 174.900 -0.087 0.000 1.131 398 G CA 0.781 45.939 45.100 0.097 0.000 0.775 398 G HN 0.956 nan 8.290 nan 0.000 0.547 399 G N -2.056 106.677 108.800 -0.111 0.000 2.441 399 G HA2 0.373 4.333 3.960 -0.000 0.000 0.222 399 G HA3 0.373 4.333 3.960 -0.000 0.000 0.222 399 G C -1.720 173.177 174.900 -0.006 0.000 1.254 399 G CA 0.167 45.159 45.100 -0.180 0.000 0.959 399 G HN 0.855 nan 8.290 nan 0.000 0.474 400 V N 1.142 121.093 119.914 0.062 0.000 2.962 400 V HA 0.884 5.004 4.120 -0.000 0.000 0.313 400 V C -0.753 175.403 176.094 0.104 0.000 1.099 400 V CA -0.684 61.707 62.300 0.152 0.000 0.971 400 V CB 1.861 33.849 31.823 0.276 0.000 1.028 400 V HN 1.169 nan 8.190 nan 0.000 0.430 401 M N 6.513 126.197 119.600 0.139 0.000 2.572 401 M HA 0.702 5.182 4.480 -0.000 0.000 0.299 401 M C -2.109 174.352 176.300 0.268 0.000 1.205 401 M CA -0.543 54.826 55.300 0.115 0.000 0.876 401 M CB 2.027 34.702 32.600 0.125 0.000 1.728 401 M HN 0.802 nan 8.290 nan 0.000 0.458 402 F N 1.705 121.706 119.950 0.085 0.000 2.654 402 F HA 0.752 5.279 4.527 -0.000 0.000 0.308 402 F C -2.284 173.549 175.800 0.055 0.000 1.108 402 F CA -1.113 56.847 58.000 -0.067 0.000 0.957 402 F CB 1.149 39.794 39.000 -0.591 0.000 1.309 402 F HN 0.693 nan 8.300 nan 0.000 0.446 403 W N 5.485 126.832 121.300 0.077 0.000 2.475 403 W HA 0.585 5.245 4.660 -0.000 0.000 0.320 403 W C -1.988 174.606 176.519 0.126 0.000 1.022 403 W CA -0.632 56.775 57.345 0.103 0.000 1.240 403 W CB 1.476 30.947 29.460 0.018 0.000 1.328 403 W HN 1.040 nan 8.180 nan 0.000 0.439 404 H N 1.847 120.767 119.070 -0.249 0.000 2.990 404 H HA 0.374 4.930 4.556 -0.000 0.000 0.343 404 H C 0.365 175.579 175.328 -0.189 0.000 1.270 404 H CA -0.928 54.849 56.048 -0.452 0.000 1.118 404 H CB 1.018 30.028 29.762 -1.255 0.000 1.861 404 H HN 0.239 nan 8.280 nan 0.000 0.544 405 L N 0.304 121.591 121.223 0.107 0.000 2.129 405 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 405 L C 2.349 178.839 176.870 -0.633 0.000 1.087 405 L CA 1.820 56.681 54.840 0.036 0.000 0.757 405 L CB -0.519 41.679 42.059 0.233 0.000 0.896 405 L HN 1.004 nan 8.230 nan 0.000 0.434 406 G N -1.342 107.044 108.800 -0.691 0.000 2.776 406 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.209 406 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.209 406 G C 1.341 175.976 174.900 -0.441 0.000 1.145 406 G CA -0.012 44.508 45.100 -0.967 0.000 0.791 406 G HN 0.440 nan 8.290 nan 0.000 0.530 407 Q N -0.353 119.196 119.800 -0.420 0.000 2.319 407 Q HA 0.103 4.443 4.340 -0.000 0.000 0.202 407 Q C 0.097 176.117 176.000 0.033 0.000 0.896 407 Q CA -0.413 55.280 55.803 -0.184 0.000 0.942 407 Q CB 0.588 29.199 28.738 -0.213 0.000 1.083 407 Q HN 0.263 nan 8.270 nan 0.000 0.510 408 D N 1.658 122.108 120.400 0.083 0.000 2.358 408 D HA -0.002 4.638 4.640 -0.000 0.000 0.244 408 D C -0.185 176.155 176.300 0.068 0.000 1.163 408 D CA -0.215 53.813 54.000 0.047 0.000 0.945 408 D CB 0.711 41.574 40.800 0.105 0.000 1.152 408 D HN 0.085 nan 8.370 nan 0.000 0.451 409 N N 0.424 119.184 118.700 0.101 0.000 2.381 409 N HA 0.070 4.810 4.740 -0.000 0.000 0.254 409 N C 0.768 176.336 175.510 0.096 0.000 1.264 409 N CA -0.132 52.968 53.050 0.083 0.000 0.942 409 N CB 0.333 38.868 38.487 0.080 0.000 1.190 409 N HN 0.305 nan 8.380 nan 0.000 0.495 410 R N -0.729 119.824 120.500 0.089 0.000 2.170 410 R HA -0.044 4.296 4.340 -0.000 0.000 0.242 410 R C 0.579 176.938 176.300 0.099 0.000 1.145 410 R CA 1.135 57.301 56.100 0.111 0.000 0.984 410 R CB -0.302 30.046 30.300 0.079 0.000 0.869 410 R HN 0.564 nan 8.270 nan 0.000 0.455 411 N N -0.313 118.429 118.700 0.070 0.000 2.461 411 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 411 N C 0.592 176.134 175.510 0.054 0.000 1.134 411 N CA 1.012 54.093 53.050 0.052 0.000 0.878 411 N CB 0.738 39.243 38.487 0.030 0.000 0.972 411 N HN 0.352 nan 8.380 nan 0.000 0.456 412 G N 1.542 110.387 108.800 0.074 0.000 2.273 412 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 412 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 412 G C 0.498 175.389 174.900 -0.015 0.000 1.047 412 G CA 0.495 45.635 45.100 0.067 0.000 0.869 412 G HN 0.226 nan 8.290 nan 0.000 0.502 413 D N -0.152 120.218 120.400 -0.049 0.000 2.144 413 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 413 D C 2.735 178.899 176.300 -0.226 0.000 0.984 413 D CA 1.052 54.985 54.000 -0.111 0.000 0.834 413 D CB -0.049 40.711 40.800 -0.067 0.000 0.955 413 D HN 0.551 nan 8.370 nan 0.000 0.465 414 L N 0.075 121.070 121.223 -0.381 0.000 2.056 414 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 414 L C 2.420 179.126 176.870 -0.273 0.000 1.078 414 L CA 0.469 55.007 54.840 -0.502 0.000 0.749 414 L CB -0.392 40.926 42.059 -1.235 0.000 0.901 414 L HN 0.092 nan 8.230 nan 0.000 0.433 415 L N 0.545 121.668 121.223 -0.167 0.000 2.017 415 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 415 L C 2.633 179.451 176.870 -0.087 0.000 1.073 415 L CA 2.051 56.871 54.840 -0.034 0.000 0.745 415 L CB -0.742 41.386 42.059 0.114 0.000 0.894 415 L HN 0.128 nan 8.230 nan 0.000 0.432 416 A N -0.548 122.206 122.820 -0.111 0.000 1.972 416 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 416 A C 2.427 179.821 177.584 -0.317 0.000 1.169 416 A CA 1.703 53.648 52.037 -0.152 0.000 0.635 416 A CB -1.073 17.858 19.000 -0.115 0.000 0.810 416 A HN 0.607 nan 8.150 nan 0.000 0.446 417 A N -0.195 122.386 122.820 -0.398 0.000 1.898 417 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 417 A C 2.152 179.071 177.584 -1.108 0.000 1.181 417 A CA 1.368 52.939 52.037 -0.776 0.000 0.620 417 A CB -0.564 18.162 19.000 -0.456 0.000 0.819 417 A HN 0.458 nan 8.150 nan 0.000 0.442 418 L N -0.536 120.345 121.223 -0.569 0.000 2.017 418 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 418 L C 2.449 179.006 176.870 -0.522 0.000 1.073 418 L CA 1.952 56.471 54.840 -0.536 0.000 0.745 418 L CB -0.616 41.271 42.059 -0.286 0.000 0.894 418 L HN 0.513 nan 8.230 nan 0.000 0.432 419 D N -0.098 120.143 120.400 -0.265 0.000 2.144 419 D HA -0.245 4.395 4.640 -0.000 0.000 0.199 419 D C 2.301 178.507 176.300 -0.156 0.000 0.984 419 D CA 1.187 55.136 54.000 -0.086 0.000 0.834 419 D CB 0.064 40.846 40.800 -0.029 0.000 0.955 419 D HN 0.076 nan 8.370 nan 0.000 0.465 420 R N -1.140 119.137 120.500 -0.371 0.000 2.073 420 R HA -0.191 4.149 4.340 -0.000 0.000 0.234 420 R C 1.916 178.019 176.300 -0.328 0.000 1.134 420 R CA 1.399 57.277 56.100 -0.370 0.000 0.952 420 R CB -0.467 29.493 30.300 -0.568 0.000 0.850 420 R HN 0.262 nan 8.270 nan 0.000 0.433 421 Y N -0.502 119.489 120.300 -0.514 0.000 2.403 421 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 421 Y C 1.775 177.649 175.900 -0.044 0.000 1.143 421 Y CA 0.631 58.427 58.100 -0.507 0.000 1.257 421 Y CB -0.337 37.778 38.460 -0.575 0.000 0.984 421 Y HN 0.083 nan 8.280 nan 0.000 0.550 422 F N -0.985 119.047 119.950 0.136 0.000 2.437 422 F HA 0.093 4.620 4.527 -0.000 0.000 0.288 422 F C 1.421 177.289 175.800 0.113 0.000 1.085 422 F CA 0.470 58.549 58.000 0.132 0.000 1.430 422 F CB -0.656 38.398 39.000 0.090 0.000 1.120 422 F HN 0.018 nan 8.300 nan 0.000 0.556 423 N N -0.706 118.153 118.700 0.265 0.000 2.257 423 N HA 0.277 5.017 4.740 -0.000 0.000 0.200 423 N C 0.389 175.982 175.510 0.138 0.000 1.163 423 N CA 0.117 53.276 53.050 0.181 0.000 0.891 423 N CB 0.415 38.990 38.487 0.146 0.000 1.067 423 N HN -0.004 nan 8.380 nan 0.000 0.497 424 A N 1.032 123.928 122.820 0.127 0.000 2.522 424 A HA 0.466 4.786 4.320 -0.000 0.000 0.256 424 A C 1.387 179.065 177.584 0.157 0.000 1.086 424 A CA 0.035 52.145 52.037 0.122 0.000 0.763 424 A CB 0.100 19.164 19.000 0.107 0.000 1.024 424 A HN 0.347 nan 8.150 nan 0.000 0.502 425 A N 2.454 125.341 122.820 0.112 0.000 2.067 425 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 425 A C 1.148 178.789 177.584 0.095 0.000 1.158 425 A CA 1.650 53.744 52.037 0.096 0.000 0.661 425 A CB -0.325 18.716 19.000 0.068 0.000 0.801 425 A HN 0.845 nan 8.150 nan 0.000 0.452 426 D N -2.839 117.626 120.400 0.110 0.000 2.368 426 D HA 0.138 4.778 4.640 -0.000 0.000 0.218 426 D C -0.071 176.316 176.300 0.144 0.000 1.112 426 D CA -0.366 53.693 54.000 0.098 0.000 0.834 426 D CB -0.520 40.326 40.800 0.077 0.000 0.953 426 D HN 0.413 nan 8.370 nan 0.000 0.505 427 Y N 1.329 121.661 120.300 0.054 0.000 2.331 427 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 427 Y C -1.280 174.654 175.900 0.056 0.000 0.992 427 Y CA -1.401 56.739 58.100 0.067 0.000 1.121 427 Y CB 1.378 39.906 38.460 0.114 0.000 1.184 427 Y HN -0.211 nan 8.280 nan 0.000 0.469 428 D N 4.862 124.877 120.400 -0.641 0.000 2.469 428 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 428 D C -0.749 175.163 176.300 -0.647 0.000 1.173 428 D CA -0.529 53.182 54.000 -0.481 0.000 0.882 428 D CB 0.930 41.596 40.800 -0.222 0.000 1.129 428 D HN 0.743 nan 8.370 nan 0.000 0.549 429 D N 1.136 121.201 120.400 -0.558 0.000 2.424 429 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 429 D C 1.266 177.470 176.300 -0.161 0.000 1.150 429 D CA -0.075 53.704 54.000 -0.368 0.000 0.831 429 D CB 0.014 40.667 40.800 -0.245 0.000 0.981 429 D HN 0.181 nan 8.370 nan 0.000 0.500 430 S N 0.418 116.040 115.700 -0.131 0.000 2.402 430 S HA -0.294 4.176 4.470 -0.000 0.000 0.233 430 S C 1.637 176.211 174.600 -0.043 0.000 1.030 430 S CA 1.015 59.179 58.200 -0.061 0.000 1.003 430 S CB -0.554 62.615 63.200 -0.051 0.000 0.813 430 S HN 0.390 nan 8.310 nan 0.000 0.477 431 Q N 0.165 119.927 119.800 -0.063 0.000 2.319 431 Q HA 0.381 4.721 4.340 -0.000 0.000 0.202 431 Q C -0.238 175.749 176.000 -0.022 0.000 0.896 431 Q CA -0.410 55.373 55.803 -0.034 0.000 0.942 431 Q CB 0.078 28.794 28.738 -0.036 0.000 1.083 431 Q HN 0.476 nan 8.270 nan 0.000 0.510 432 L N 2.617 123.810 121.223 -0.050 0.000 2.534 432 L HA 0.015 4.355 4.340 -0.000 0.000 0.271 432 L C -0.347 176.569 176.870 0.077 0.000 1.178 432 L CA 0.404 55.219 54.840 -0.041 0.000 0.907 432 L CB 0.383 42.347 42.059 -0.158 0.000 1.164 432 L HN -0.054 nan 8.230 nan 0.000 0.482 433 D N 4.712 125.207 120.400 0.159 0.000 2.317 433 D HA 0.098 4.738 4.640 -0.000 0.000 0.252 433 D C 0.915 177.431 176.300 0.359 0.000 1.174 433 D CA -0.241 53.884 54.000 0.208 0.000 0.866 433 D CB 0.870 41.770 40.800 0.166 0.000 1.127 433 D HN 0.510 nan 8.370 nan 0.000 0.467 434 M N 2.783 122.569 119.600 0.309 0.000 2.630 434 M HA 0.188 4.668 4.480 -0.000 0.000 0.254 434 M C 1.217 177.680 176.300 0.272 0.000 1.092 434 M CA 0.635 56.183 55.300 0.414 0.000 1.087 434 M CB -1.533 31.303 32.600 0.394 0.000 1.453 434 M HN 0.670 nan 8.290 nan 0.000 0.509 435 G N 0.728 109.622 108.800 0.157 0.000 2.782 435 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.228 435 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.228 435 G C 0.308 175.183 174.900 -0.041 0.000 1.372 435 G CA 0.171 45.311 45.100 0.067 0.000 0.862 435 G HN 0.420 nan 8.290 nan 0.000 0.547 436 T N -1.522 113.004 114.554 -0.048 0.000 3.134 436 T HA 0.578 4.928 4.350 -0.000 0.000 0.260 436 T C 1.389 176.019 174.700 -0.117 0.000 1.027 436 T CA 1.106 63.153 62.100 -0.089 0.000 0.913 436 T CB 0.351 69.196 68.868 -0.038 0.000 1.046 436 T HN 2.030 nan 8.240 nan 0.000 0.553 437 G N 1.769 110.496 108.800 -0.122 0.000 2.562 437 G HA2 0.393 4.353 3.960 -0.000 0.000 0.233 437 G HA3 0.393 4.353 3.960 -0.000 0.000 0.233 437 G C 0.005 174.830 174.900 -0.126 0.000 1.266 437 G CA -0.661 44.405 45.100 -0.056 0.000 0.852 437 G HN 0.599 nan 8.290 nan 0.000 0.581 438 L N 1.096 122.318 121.223 -0.003 0.000 2.513 438 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 438 L C 0.862 177.786 176.870 0.090 0.000 1.187 438 L CA -0.321 54.530 54.840 0.018 0.000 0.895 438 L CB 0.279 42.373 42.059 0.058 0.000 1.147 438 L HN 0.403 nan 8.230 nan 0.000 0.483 439 R N 1.918 122.439 120.500 0.035 0.000 2.500 439 R HA 0.260 4.600 4.340 -0.000 0.000 0.277 439 R C -0.826 175.613 176.300 0.231 0.000 1.026 439 R CA -0.576 55.621 56.100 0.161 0.000 1.058 439 R CB 0.548 30.878 30.300 0.051 0.000 1.078 439 R HN 0.295 nan 8.270 nan 0.000 0.509 440 Y N 1.120 121.545 120.300 0.208 0.000 2.452 440 Y HA 0.087 4.637 4.550 -0.000 0.000 0.348 440 Y C 0.830 176.793 175.900 0.104 0.000 0.985 440 Y CA 0.068 58.267 58.100 0.166 0.000 1.214 440 Y CB 0.721 39.294 38.460 0.188 0.000 1.136 440 Y HN 0.730 nan 8.280 nan 0.000 0.523 441 T N 1.354 115.732 114.554 -0.294 0.000 3.144 441 T HA 0.258 4.608 4.350 -0.000 0.000 0.249 441 T C 0.937 175.464 174.700 -0.289 0.000 1.089 441 T CA 0.065 62.039 62.100 -0.209 0.000 0.989 441 T CB -0.401 68.376 68.868 -0.152 0.000 0.992 441 T HN 0.760 nan 8.240 nan 0.000 0.540 442 G N 1.003 109.475 108.800 -0.548 0.000 2.491 442 G HA2 0.448 4.408 3.960 -0.000 0.000 0.238 442 G HA3 0.448 4.408 3.960 -0.000 0.000 0.238 442 G C -0.704 174.126 174.900 -0.118 0.000 1.277 442 G CA -0.298 44.600 45.100 -0.337 0.000 0.851 442 G HN 0.390 nan 8.290 nan 0.000 0.573 443 V N 1.593 121.411 119.914 -0.161 0.000 2.487 443 V HA 0.816 4.936 4.120 -0.000 0.000 0.298 443 V C 0.734 176.716 176.094 -0.187 0.000 1.028 443 V CA 0.073 62.295 62.300 -0.130 0.000 0.860 443 V CB 1.384 33.124 31.823 -0.138 0.000 0.991 443 V HN 1.133 nan 8.190 nan 0.000 0.427 444 G N 3.870 112.587 108.800 -0.139 0.000 3.015 444 G HA2 0.621 4.581 3.960 -0.000 0.000 0.281 444 G HA3 0.621 4.581 3.960 -0.000 0.000 0.281 444 G C -2.486 172.287 174.900 -0.212 0.000 1.386 444 G CA -1.321 43.657 45.100 -0.203 0.000 0.959 444 G HN 0.462 nan 8.290 nan 0.000 0.522 445 P HA -0.013 nan 4.420 nan 0.000 0.219 445 P C 1.692 178.943 177.300 -0.082 0.000 1.146 445 P CA 1.631 64.594 63.100 -0.228 0.000 0.808 445 P CB 0.237 31.796 31.700 -0.234 0.000 0.779 446 G N -0.707 108.081 108.800 -0.019 0.000 2.777 446 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.211 446 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.211 446 G C 0.611 175.524 174.900 0.022 0.000 1.149 446 G CA 0.073 45.186 45.100 0.021 0.000 0.785 446 G HN 0.493 nan 8.290 nan 0.000 0.536 447 N N -0.770 117.932 118.700 0.003 0.000 2.571 447 N HA 0.338 5.078 4.740 -0.000 0.000 0.298 447 N C -0.369 175.127 175.510 -0.024 0.000 1.671 447 N CA -0.519 52.535 53.050 0.008 0.000 0.900 447 N CB 0.243 38.754 38.487 0.040 0.000 1.365 447 N HN -0.028 nan 8.380 nan 0.000 0.493 448 L N 1.582 122.778 121.223 -0.045 0.000 2.416 448 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 448 L C -1.653 175.191 176.870 -0.044 0.000 1.161 448 L CA -1.641 53.159 54.840 -0.067 0.000 0.845 448 L CB 0.380 42.392 42.059 -0.079 0.000 1.119 448 L HN 0.212 nan 8.230 nan 0.000 0.464 449 P HA 0.124 nan 4.420 nan 0.000 0.274 449 P C -0.490 176.788 177.300 -0.038 0.000 1.231 449 P CA -0.246 62.833 63.100 -0.035 0.000 0.790 449 P CB 0.918 32.597 31.700 -0.035 0.000 0.951 450 I N 2.363 122.915 120.570 -0.031 0.000 2.529 450 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 450 I C 0.922 177.021 176.117 -0.031 0.000 1.082 450 I CA 0.243 61.522 61.300 -0.035 0.000 1.406 450 I CB 0.099 38.080 38.000 -0.031 0.000 1.405 450 I HN 0.253 nan 8.210 nan 0.000 0.548 451 M N 4.244 123.825 119.600 -0.033 0.000 2.755 451 M HA 0.471 4.950 4.480 -0.000 0.000 0.273 451 M C -0.941 175.349 176.300 -0.016 0.000 1.278 451 M CA -0.701 54.586 55.300 -0.022 0.000 0.819 451 M CB 2.739 35.326 32.600 -0.022 0.000 1.694 451 M HN 0.522 nan 8.290 nan 0.000 0.460 452 T N -0.722 113.831 114.554 -0.002 0.000 2.886 452 T HA 0.943 5.293 4.350 -0.000 0.000 0.292 452 T C -1.128 173.587 174.700 0.025 0.000 1.012 452 T CA -0.843 61.261 62.100 0.008 0.000 0.982 452 T CB 1.948 70.820 68.868 0.007 0.000 1.018 452 T HN 0.923 nan 8.240 nan 0.000 0.451 453 A N 2.852 125.695 122.820 0.039 0.000 2.589 453 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 453 A C -3.254 174.373 177.584 0.071 0.000 1.062 453 A CA -1.730 50.343 52.037 0.061 0.000 0.686 453 A CB 0.887 19.934 19.000 0.078 0.000 1.282 453 A HN 0.627 nan 8.150 nan 0.000 0.404 454 P HA 0.330 nan 4.420 nan 0.000 0.264 454 P C 0.227 177.588 177.300 0.102 0.000 1.193 454 P CA 0.473 63.625 63.100 0.086 0.000 0.763 454 P CB 0.681 32.442 31.700 0.102 0.000 0.810 455 A N 4.122 126.996 122.820 0.090 0.000 2.561 455 A HA -0.014 4.305 4.320 -0.000 0.000 0.234 455 A C -0.144 177.519 177.584 0.132 0.000 1.055 455 A CA 0.018 52.121 52.037 0.110 0.000 0.756 455 A CB -0.572 18.478 19.000 0.082 0.000 0.986 455 A HN 0.564 nan 8.150 nan 0.000 0.505 456 Y N 2.477 122.786 120.300 0.015 0.000 2.620 456 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 456 Y C -0.041 175.895 175.900 0.060 0.000 1.186 456 Y CA 0.307 58.385 58.100 -0.037 0.000 1.467 456 Y CB 0.454 38.739 38.460 -0.293 0.000 1.262 456 Y HN 0.363 nan 8.280 nan 0.000 0.550 457 V N 9.965 129.510 119.914 -0.614 0.000 2.311 457 V HA 0.247 4.367 4.120 -0.000 0.000 0.275 457 V C -2.049 173.540 176.094 -0.841 0.000 1.022 457 V CA -2.061 59.921 62.300 -0.530 0.000 0.830 457 V CB 0.866 32.554 31.823 -0.225 0.000 1.012 457 V HN 0.746 nan 8.190 nan 0.000 0.452 458 P HA 0.054 nan 4.420 nan 0.000 0.258 458 P C 0.906 178.103 177.300 -0.171 0.000 1.172 458 P CA 1.394 64.310 63.100 -0.306 0.000 0.762 458 P CB 0.625 32.284 31.700 -0.068 0.000 0.764 459 G N 1.988 110.746 108.800 -0.071 0.000 2.176 459 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.232 459 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.232 459 G C 0.151 175.003 174.900 -0.081 0.000 0.986 459 G CA -0.107 44.970 45.100 -0.037 0.000 0.643 459 G HN 0.620 nan 8.290 nan 0.000 0.522 460 T N 1.790 116.252 114.554 -0.154 0.000 2.882 460 T HA 0.575 4.925 4.350 -0.000 0.000 0.287 460 T C 0.248 174.772 174.700 -0.294 0.000 0.992 460 T CA 0.415 62.336 62.100 -0.298 0.000 1.076 460 T CB 1.532 70.087 68.868 -0.522 0.000 0.961 460 T HN 0.183 nan 8.240 nan 0.000 0.490 461 T N 3.756 118.119 114.554 -0.318 0.000 2.767 461 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 461 T C -0.887 173.617 174.700 -0.326 0.000 0.973 461 T CA -0.333 61.659 62.100 -0.179 0.000 0.996 461 T CB 0.142 68.969 68.868 -0.068 0.000 0.927 461 T HN 0.389 nan 8.240 nan 0.000 0.456 462 Y N 1.087 121.371 120.300 -0.027 0.000 2.409 462 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 462 Y C 0.638 176.400 175.900 -0.230 0.000 1.033 462 Y CA -1.203 56.840 58.100 -0.095 0.000 1.094 462 Y CB 1.144 39.575 38.460 -0.049 0.000 1.210 462 Y HN 0.780 nan 8.280 nan 0.000 0.456 463 A N 1.903 124.689 122.820 -0.057 0.000 2.267 463 A HA 0.265 4.585 4.320 -0.000 0.000 0.271 463 A C -0.218 177.279 177.584 -0.145 0.000 1.131 463 A CA -0.690 51.244 52.037 -0.172 0.000 0.818 463 A CB 0.298 19.216 19.000 -0.138 0.000 1.118 463 A HN 0.783 nan 8.150 nan 0.000 0.501 464 Q N -0.660 119.068 119.800 -0.120 0.000 2.314 464 Q HA 0.408 4.748 4.340 -0.000 0.000 0.258 464 Q C 0.809 176.763 176.000 -0.076 0.000 0.954 464 Q CA 0.761 56.503 55.803 -0.102 0.000 0.890 464 Q CB 0.408 29.138 28.738 -0.014 0.000 1.210 464 Q HN 1.828 nan 8.270 nan 0.000 0.410 465 G N 2.117 110.859 108.800 -0.098 0.000 2.157 465 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 465 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 465 G C 0.088 174.976 174.900 -0.020 0.000 0.979 465 G CA -0.008 45.065 45.100 -0.045 0.000 0.650 465 G HN 0.964 nan 8.290 nan 0.000 0.529 466 A N -0.195 122.598 122.820 -0.044 0.000 2.371 466 A HA 0.755 5.075 4.320 -0.000 0.000 0.257 466 A C 0.321 177.975 177.584 0.117 0.000 1.089 466 A CA 0.160 52.221 52.037 0.040 0.000 0.794 466 A CB 0.450 19.494 19.000 0.075 0.000 1.029 466 A HN 0.938 nan 8.150 nan 0.000 0.488 467 L N 2.253 123.563 121.223 0.146 0.000 2.346 467 L HA 0.739 5.079 4.340 -0.000 0.000 0.276 467 L C -0.253 176.708 176.870 0.151 0.000 1.006 467 L CA -0.813 54.129 54.840 0.170 0.000 0.817 467 L CB 1.823 43.945 42.059 0.105 0.000 1.272 467 L HN 0.697 nan 8.230 nan 0.000 0.421 468 V N -0.738 119.259 119.914 0.139 0.000 3.188 468 V HA 0.815 4.935 4.120 -0.000 0.000 0.305 468 V C -0.460 175.720 176.094 0.144 0.000 1.232 468 V CA -0.657 61.683 62.300 0.066 0.000 1.043 468 V CB 1.994 33.727 31.823 -0.150 0.000 1.068 468 V HN 0.783 nan 8.190 nan 0.000 0.439 469 S N 1.805 117.597 115.700 0.154 0.000 2.549 469 S HA 0.903 5.373 4.470 -0.000 0.000 0.297 469 S C -1.035 173.741 174.600 0.294 0.000 1.115 469 S CA -0.467 57.861 58.200 0.214 0.000 1.059 469 S CB 1.426 64.696 63.200 0.117 0.000 1.046 469 S HN 2.275 nan 8.310 nan 0.000 0.506 470 Y N 1.124 121.542 120.300 0.196 0.000 2.380 470 Y HA 0.246 4.796 4.550 -0.000 0.000 0.320 470 Y C -0.553 175.496 175.900 0.247 0.000 1.272 470 Y CA -0.460 57.699 58.100 0.098 0.000 1.165 470 Y CB 0.465 38.796 38.460 -0.215 0.000 1.319 470 Y HN 0.922 nan 8.280 nan 0.000 0.443 471 Q N 4.520 124.027 119.800 -0.488 0.000 2.457 471 Q HA -0.249 4.091 4.340 -0.000 0.000 0.283 471 Q C 1.093 177.014 176.000 -0.132 0.000 1.234 471 Q CA 1.657 57.232 55.803 -0.380 0.000 0.877 471 Q CB -1.621 26.767 28.738 -0.583 0.000 1.250 471 Q HN 1.876 nan 8.270 nan 0.000 0.481 472 G N -2.096 106.603 108.800 -0.167 0.000 2.179 472 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 472 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 472 G C -0.285 174.286 174.900 -0.549 0.000 0.977 472 G CA 0.623 45.501 45.100 -0.370 0.000 0.641 472 G HN 0.385 nan 8.290 nan 0.000 0.533 473 Y N -1.226 119.066 120.300 -0.014 0.000 2.598 473 Y HA 0.670 5.220 4.550 -0.000 0.000 0.340 473 Y C 0.401 176.173 175.900 -0.213 0.000 1.038 473 Y CA -1.190 56.770 58.100 -0.232 0.000 1.100 473 Y CB 1.991 40.096 38.460 -0.591 0.000 1.281 473 Y HN 0.074 nan 8.280 nan 0.000 0.488 474 V N 1.414 121.230 119.914 -0.163 0.000 2.427 474 V HA 0.300 4.420 4.120 -0.000 0.000 0.286 474 V C -1.177 174.765 176.094 -0.254 0.000 1.034 474 V CA -0.832 61.426 62.300 -0.070 0.000 0.893 474 V CB 0.546 32.348 31.823 -0.036 0.000 0.982 474 V HN 0.650 nan 8.190 nan 0.000 0.452 475 W N 2.630 123.921 121.300 -0.014 0.000 2.781 475 W HA 0.737 5.397 4.660 -0.000 0.000 0.345 475 W C -0.148 176.486 176.519 0.191 0.000 1.085 475 W CA -0.627 56.734 57.345 0.026 0.000 1.198 475 W CB 1.323 30.690 29.460 -0.155 0.000 1.423 475 W HN 0.436 nan 8.180 nan 0.000 0.532 476 Q N 1.007 121.073 119.800 0.444 0.000 2.375 476 Q HA 0.512 4.852 4.340 -0.000 0.000 0.271 476 Q C -0.351 175.708 176.000 0.098 0.000 1.074 476 Q CA -0.635 55.326 55.803 0.264 0.000 0.808 476 Q CB 2.107 30.902 28.738 0.095 0.000 1.327 476 Q HN 0.549 nan 8.270 nan 0.000 0.441 477 T N 0.322 114.719 114.554 -0.263 0.000 2.869 477 T HA 0.309 4.659 4.350 -0.000 0.000 0.295 477 T C 0.404 174.869 174.700 -0.392 0.000 0.987 477 T CA -0.498 61.211 62.100 -0.651 0.000 1.109 477 T CB 1.068 69.400 68.868 -0.894 0.000 0.932 477 T HN 0.689 nan 8.240 nan 0.000 0.518 478 K N 1.637 121.743 120.400 -0.490 0.000 2.400 478 K HA 0.226 4.545 4.320 -0.000 0.000 0.194 478 K C -0.121 176.511 176.600 0.054 0.000 1.033 478 K CA 0.059 56.236 56.287 -0.183 0.000 1.021 478 K CB 0.126 32.572 32.500 -0.091 0.000 0.808 478 K HN 0.849 nan 8.250 nan 0.000 0.505 479 W N -1.726 119.505 121.300 -0.115 0.000 2.874 479 W HA 0.573 5.233 4.660 0.000 0.000 0.403 479 W C -0.522 175.941 176.519 -0.093 0.000 1.144 479 W CA -1.428 55.873 57.345 -0.074 0.000 1.175 479 W CB -0.115 29.322 29.460 -0.040 0.000 1.483 479 W HN -0.187 nan 8.180 nan 0.000 0.591 480 G N -0.796 108.197 108.800 0.321 0.000 2.502 480 G HA2 0.487 4.447 3.960 -0.000 0.000 0.305 480 G HA3 0.487 4.447 3.960 -0.000 0.000 0.305 480 G C -1.319 173.763 174.900 0.303 0.000 1.190 480 G CA -0.665 44.524 45.100 0.149 0.000 0.933 480 G HN 1.044 nan 8.290 nan 0.000 0.503 481 Y N -2.153 118.179 120.300 0.054 0.000 3.125 481 Y HA -0.157 4.393 4.550 -0.000 0.000 0.200 481 Y C 0.340 176.270 175.900 0.050 0.000 1.373 481 Y CA -0.438 57.694 58.100 0.054 0.000 1.180 481 Y CB -1.926 36.575 38.460 0.068 0.000 1.381 481 Y HN 0.251 nan 8.280 nan 0.000 0.501 482 I N 0.977 121.563 120.570 0.027 0.000 2.352 482 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 482 I C 1.345 177.545 176.117 0.139 0.000 1.036 482 I CA 0.113 61.398 61.300 -0.025 0.000 1.336 482 I CB 1.010 38.778 38.000 -0.386 0.000 1.407 482 I HN 0.448 nan 8.210 nan 0.000 0.497 483 T N 0.488 115.137 114.554 0.158 0.000 3.129 483 T HA 0.245 4.595 4.350 -0.000 0.000 0.267 483 T C 0.621 175.454 174.700 0.222 0.000 1.018 483 T CA -0.309 61.903 62.100 0.186 0.000 0.903 483 T CB 0.288 69.237 68.868 0.134 0.000 1.067 483 T HN 0.417 nan 8.240 nan 0.000 0.549 484 S N 0.194 116.041 115.700 0.246 0.000 2.704 484 S HA 0.818 5.288 4.470 -0.000 0.000 0.296 484 S C -0.673 173.991 174.600 0.107 0.000 1.138 484 S CA -0.535 57.777 58.200 0.187 0.000 0.875 484 S CB 1.399 64.653 63.200 0.089 0.000 1.151 484 S HN 0.644 nan 8.310 nan 0.000 0.500 485 A N 2.209 124.862 122.820 -0.279 0.000 2.340 485 A HA 0.677 4.997 4.320 -0.000 0.000 0.268 485 A C -2.710 174.122 177.584 -1.252 0.000 1.100 485 A CA -1.495 49.835 52.037 -1.178 0.000 0.803 485 A CB -0.426 17.948 19.000 -1.044 0.000 1.043 485 A HN 0.554 nan 8.150 nan 0.000 0.488 486 P HA 0.236 nan 4.420 nan 0.000 0.265 486 P C 1.094 177.602 177.300 -1.319 0.000 1.193 486 P CA 2.083 63.923 63.100 -2.101 0.000 0.765 486 P CB 0.705 30.469 31.700 -3.226 0.000 0.823 487 G N 2.034 110.382 108.800 -0.754 0.000 2.299 487 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.237 487 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.237 487 G C 1.167 175.978 174.900 -0.149 0.000 1.027 487 G CA 0.539 45.466 45.100 -0.290 0.000 0.619 487 G HN 0.495 nan 8.290 nan 0.000 0.513 488 S N -0.161 115.412 115.700 -0.212 0.000 2.526 488 S HA 0.315 4.785 4.470 -0.000 0.000 0.220 488 S C -0.130 174.440 174.600 -0.049 0.000 1.017 488 S CA 0.474 58.615 58.200 -0.098 0.000 0.930 488 S CB 0.732 63.870 63.200 -0.103 0.000 0.856 488 S HN 0.563 nan 8.310 nan 0.000 0.497 489 D N 1.265 121.631 120.400 -0.056 0.000 2.549 489 D HA 0.235 4.875 4.640 -0.000 0.000 0.251 489 D C 0.402 176.737 176.300 0.058 0.000 1.153 489 D CA -0.238 53.785 54.000 0.038 0.000 0.861 489 D CB 1.719 42.570 40.800 0.086 0.000 1.207 489 D HN 0.061 nan 8.370 nan 0.000 0.543 490 S N 2.082 117.824 115.700 0.071 0.000 2.786 490 S HA 0.107 4.577 4.470 -0.000 0.000 0.223 490 S C 1.283 175.844 174.600 -0.064 0.000 0.956 490 S CA 0.300 58.548 58.200 0.079 0.000 0.961 490 S CB -0.023 63.270 63.200 0.155 0.000 0.784 490 S HN 0.396 nan 8.310 nan 0.000 0.519 491 A N -0.075 122.547 122.820 -0.331 0.000 2.275 491 A HA 0.371 4.691 4.320 -0.000 0.000 0.212 491 A C 0.029 177.128 177.584 -0.808 0.000 1.201 491 A CA -0.552 50.811 52.037 -1.124 0.000 0.843 491 A CB -0.252 17.913 19.000 -1.391 0.000 0.873 491 A HN 0.693 nan 8.150 nan 0.000 0.492 492 W N -0.867 120.225 121.300 -0.347 0.000 2.469 492 W HA 0.579 5.239 4.660 -0.000 0.000 0.320 492 W C -0.498 176.038 176.519 0.028 0.000 1.086 492 W CA -0.868 56.373 57.345 -0.173 0.000 1.211 492 W CB 1.255 30.597 29.460 -0.197 0.000 1.298 492 W HN 0.048 nan 8.180 nan 0.000 0.525 493 L N 4.421 125.826 121.223 0.303 0.000 2.305 493 L HA 0.401 4.741 4.340 -0.000 0.000 0.284 493 L C 0.060 176.986 176.870 0.093 0.000 1.013 493 L CA -1.232 53.706 54.840 0.163 0.000 0.819 493 L CB 0.880 42.968 42.059 0.047 0.000 1.227 493 L HN 0.352 nan 8.230 nan 0.000 0.417 494 K N 4.079 124.377 120.400 -0.169 0.000 2.402 494 K HA 0.233 4.553 4.320 -0.000 0.000 0.285 494 K C 0.491 176.834 176.600 -0.430 0.000 1.054 494 K CA 0.355 56.205 56.287 -0.729 0.000 1.001 494 K CB 0.505 32.303 32.500 -1.170 0.000 0.946 494 K HN 0.689 nan 8.250 nan 0.000 0.473 495 V N 0.793 120.513 119.914 -0.324 0.000 3.432 495 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 495 V C 0.386 176.381 176.094 -0.165 0.000 1.464 495 V CA 0.340 62.521 62.300 -0.198 0.000 1.046 495 V CB 0.436 32.199 31.823 -0.102 0.000 0.887 495 V HN 0.693 nan 8.190 nan 0.000 0.441 496 G N 0.863 109.551 108.800 -0.186 0.000 2.649 496 G HA2 0.731 4.691 3.960 -0.000 0.000 0.290 496 G HA3 0.731 4.691 3.960 -0.000 0.000 0.290 496 G C -1.303 173.560 174.900 -0.063 0.000 1.426 496 G CA -0.833 44.203 45.100 -0.107 0.000 0.794 496 G HN 0.646 nan 8.290 nan 0.000 0.483 497 R N -1.310 119.161 120.500 -0.048 0.000 2.867 497 R HA 0.820 5.160 4.340 -0.000 0.000 0.268 497 R C 0.368 176.594 176.300 -0.123 0.000 1.014 497 R CA -0.234 55.818 56.100 -0.081 0.000 0.946 497 R CB 1.585 31.850 30.300 -0.057 0.000 1.208 497 R HN 1.047 nan 8.270 nan 0.000 0.477 498 V N -1.767 118.026 119.914 -0.201 0.000 0.524 498 V HA -0.406 3.714 4.120 -0.000 0.000 0.092 498 V C 0.503 176.535 176.094 -0.102 0.000 2.204 498 V CA 2.608 64.817 62.300 -0.152 0.000 3.556 498 V CB -1.866 29.897 31.823 -0.099 0.000 0.846 498 V HN 1.340 nan 8.190 nan 0.000 0.884 499 A N 0.000 122.779 122.820 -0.068 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486