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 1n8p_1_A DATA FIRST_RESID 1 DATA SEQUENCE TLQESDKFAT KAIHAGEHVD VHGSVIEPIS LSTTFKQSSP ANPIGTYEYS DATA SEQUENCE RSQNPNRENL ERAVAALENA QYGLAFSSGS ATTATILQSL PQGSHAVSIG DATA SEQUENCE DVYGGTHRYF TKVANAHGVE TSFTNDLLND LPQLIKENTK LVWIETPTNP DATA SEQUENCE TLKVTDIQKV ADLIKKHAAG QDVILVVDNT FLSPYISNPL NFGADIVVHS DATA SEQUENCE ATKYINGHSD VVLGVLATNN KPLYERLQFL QNAIGAIPSP FDAWLTHRGL DATA SEQUENCE KTLHLRVRQA ALSANKIAEF LAADKENVVA VNYPGLKTHP NYDVVLKQHR DATA SEQUENCE DALGGGMISF RIKGGAEAAS KFASSTRLFT LAESLGGIES LLEVPAVMTH DATA SEQUENCE GGIPKEAREA SGVFDDLVRI SVGIEDTDDL LEDIKQALKQ ATN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.606 174.700 -0.156 0.000 1.109 1 T CA 0.000 61.955 62.100 -0.242 0.000 1.349 1 T CB 0.000 68.485 68.868 -0.638 0.000 0.612 2 L N 3.313 124.445 121.223 -0.151 0.000 2.617 2 L HA 0.467 4.807 4.340 -0.001 0.000 0.259 2 L C -0.267 176.554 176.870 -0.081 0.000 0.995 2 L CA -0.430 54.357 54.840 -0.088 0.000 0.899 2 L CB 1.279 43.300 42.059 -0.063 0.000 1.181 2 L HN 0.683 nan 8.230 nan 0.000 0.437 3 Q N 3.051 122.813 119.800 -0.065 0.000 2.369 3 Q HA 0.079 4.419 4.340 -0.001 0.000 0.295 3 Q C -0.532 175.443 176.000 -0.042 0.000 1.075 3 Q CA 1.054 56.829 55.803 -0.046 0.000 0.941 3 Q CB 0.413 29.134 28.738 -0.027 0.000 1.260 3 Q HN 0.521 nan 8.270 nan 0.000 0.417 4 E N 0.650 120.828 120.200 -0.036 0.000 3.711 4 E HA 0.130 4.480 4.350 -0.001 0.000 0.267 4 E C -1.061 175.523 176.600 -0.025 0.000 1.198 4 E CA -0.232 56.149 56.400 -0.032 0.000 1.150 4 E CB 0.792 30.473 29.700 -0.032 0.000 1.297 4 E HN 0.603 nan 8.360 nan 0.000 0.399 5 S N 1.053 116.738 115.700 -0.026 0.000 3.749 5 S HA -0.138 4.332 4.470 -0.001 0.000 0.348 5 S C 0.111 174.705 174.600 -0.010 0.000 1.045 5 S CA 0.890 59.078 58.200 -0.020 0.000 1.051 5 S CB -1.011 62.178 63.200 -0.019 0.000 0.898 5 S HN 0.553 nan 8.310 nan 0.000 0.472 6 D N 1.091 121.485 120.400 -0.010 0.000 2.447 6 D HA 0.267 4.906 4.640 -0.001 0.000 0.265 6 D C 0.753 177.061 176.300 0.014 0.000 1.250 6 D CA -0.350 53.650 54.000 0.001 0.000 1.046 6 D CB 0.447 41.247 40.800 -0.000 0.000 1.095 6 D HN 0.032 nan 8.370 nan 0.000 0.555 7 K N 0.247 120.665 120.400 0.029 0.000 2.107 7 K HA 0.085 4.404 4.320 -0.001 0.000 0.251 7 K C 0.977 177.622 176.600 0.074 0.000 1.012 7 K CA -0.474 55.854 56.287 0.067 0.000 0.920 7 K CB 0.409 32.956 32.500 0.078 0.000 1.033 7 K HN 0.381 nan 8.250 nan 0.000 0.478 8 F N 1.818 121.772 119.950 0.006 0.000 2.115 8 F HA -0.349 4.178 4.527 -0.001 0.000 0.300 8 F C 1.924 177.663 175.800 -0.101 0.000 1.092 8 F CA 2.363 60.370 58.000 0.013 0.000 1.245 8 F CB -0.001 39.075 39.000 0.126 0.000 0.995 8 F HN 0.675 nan 8.300 nan 0.000 0.481 9 A N -0.859 121.986 122.820 0.041 0.000 1.930 9 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 9 A C 2.123 179.530 177.584 -0.295 0.000 1.175 9 A CA 2.079 53.832 52.037 -0.474 0.000 0.627 9 A CB -1.294 17.378 19.000 -0.547 0.000 0.815 9 A HN 0.451 nan 8.150 nan 0.000 0.443 10 T N -0.106 114.376 114.554 -0.120 0.000 2.777 10 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 10 T C 1.925 176.606 174.700 -0.032 0.000 1.040 10 T CA 1.633 63.725 62.100 -0.014 0.000 1.141 10 T CB -0.139 68.754 68.868 0.042 0.000 0.868 10 T HN 0.526 nan 8.240 nan 0.000 0.444 11 K N 1.087 121.405 120.400 -0.137 0.000 2.097 11 K HA 0.086 4.406 4.320 -0.001 0.000 0.205 11 K C 2.703 179.172 176.600 -0.218 0.000 1.050 11 K CA 0.996 57.183 56.287 -0.166 0.000 0.938 11 K CB -0.295 32.056 32.500 -0.248 0.000 0.718 11 K HN 0.267 nan 8.250 nan 0.000 0.442 12 A N 1.630 124.244 122.820 -0.344 0.000 1.892 12 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 12 A C 1.961 179.461 177.584 -0.140 0.000 1.188 12 A CA 1.517 53.411 52.037 -0.239 0.000 0.631 12 A CB -0.505 18.414 19.000 -0.135 0.000 0.822 12 A HN 0.140 nan 8.150 nan 0.000 0.447 13 I N -1.056 119.386 120.570 -0.213 0.000 2.676 13 I HA -0.086 4.084 4.170 -0.001 0.000 0.259 13 I C 1.703 177.493 176.117 -0.545 0.000 1.194 13 I CA 1.267 62.340 61.300 -0.379 0.000 1.473 13 I CB -1.264 36.408 38.000 -0.547 0.000 1.096 13 I HN 0.449 nan 8.210 nan 0.000 0.443 14 H N -0.263 118.791 119.070 -0.026 0.000 3.266 14 H HA 0.373 4.928 4.556 -0.001 0.000 0.246 14 H C 0.972 176.305 175.328 0.008 0.000 0.998 14 H CA 0.161 56.206 56.048 -0.005 0.000 1.152 14 H CB 0.338 30.089 29.762 -0.018 0.000 1.466 14 H HN 0.116 nan 8.280 nan 0.000 0.481 15 A N 1.086 123.952 122.820 0.075 0.000 2.548 15 A HA 0.401 4.721 4.320 -0.001 0.000 0.247 15 A C 1.429 179.048 177.584 0.059 0.000 1.067 15 A CA 1.125 53.177 52.037 0.025 0.000 0.757 15 A CB -0.489 18.478 19.000 -0.055 0.000 0.996 15 A HN 0.658 nan 8.150 nan 0.000 0.504 16 G N 1.362 110.201 108.800 0.065 0.000 2.159 16 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.227 16 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.227 16 G C 0.157 175.191 174.900 0.223 0.000 0.986 16 G CA 0.284 45.448 45.100 0.107 0.000 0.651 16 G HN 1.098 nan 8.290 nan 0.000 0.523 17 E N 0.987 121.300 120.200 0.187 0.000 2.458 17 E HA 0.242 4.592 4.350 -0.001 0.000 0.264 17 E C 0.969 177.724 176.600 0.258 0.000 1.097 17 E CA 0.159 56.696 56.400 0.227 0.000 0.973 17 E CB 0.266 30.060 29.700 0.156 0.000 0.963 17 E HN 0.648 nan 8.360 nan 0.000 0.451 18 H N 0.015 119.141 119.070 0.093 0.000 2.713 18 H HA 0.503 5.059 4.556 -0.001 0.000 0.340 18 H C -0.970 174.408 175.328 0.083 0.000 1.271 18 H CA -1.089 55.017 56.048 0.096 0.000 1.306 18 H CB 0.529 30.350 29.762 0.098 0.000 1.839 18 H HN 0.183 nan 8.280 nan 0.000 0.627 19 V N 1.735 121.640 119.914 -0.015 0.000 2.334 19 V HA 0.201 4.321 4.120 -0.001 0.000 0.281 19 V C -0.556 175.509 176.094 -0.048 0.000 1.016 19 V CA -0.407 61.850 62.300 -0.072 0.000 0.832 19 V CB 0.723 32.570 31.823 0.039 0.000 0.999 19 V HN 0.811 nan 8.190 nan 0.000 0.439 20 D N 3.719 124.048 120.400 -0.118 0.000 2.686 20 D HA 0.339 4.978 4.640 -0.001 0.000 0.249 20 D C 0.522 176.877 176.300 0.091 0.000 1.260 20 D CA -0.420 53.602 54.000 0.036 0.000 0.910 20 D CB 2.494 43.315 40.800 0.035 0.000 1.323 20 D HN 0.122 nan 8.370 nan 0.000 0.561 21 V N 3.753 123.768 119.914 0.168 0.000 2.332 21 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 21 V C 1.649 177.772 176.094 0.048 0.000 1.055 21 V CA 1.926 64.269 62.300 0.071 0.000 1.038 21 V CB -0.743 31.085 31.823 0.008 0.000 0.651 21 V HN 0.656 nan 8.190 nan 0.000 0.450 22 H N 0.384 119.462 119.070 0.013 0.000 2.353 22 H HA 0.056 4.612 4.556 -0.001 0.000 0.298 22 H C 1.884 177.220 175.328 0.013 0.000 1.103 22 H CA 1.341 57.400 56.048 0.018 0.000 1.293 22 H CB -0.547 29.233 29.762 0.031 0.000 1.372 22 H HN 0.548 nan 8.280 nan 0.000 0.501 23 G N -0.227 108.660 108.800 0.144 0.000 2.138 23 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.193 23 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.193 23 G C 0.196 175.142 174.900 0.076 0.000 0.998 23 G CA 0.130 45.269 45.100 0.065 0.000 0.668 23 G HN 0.742 nan 8.290 nan 0.000 0.516 24 S N -0.317 115.455 115.700 0.121 0.000 2.596 24 S HA 0.288 4.758 4.470 -0.001 0.000 0.298 24 S C 1.580 176.299 174.600 0.197 0.000 1.255 24 S CA 0.142 58.438 58.200 0.161 0.000 1.083 24 S CB 1.869 65.202 63.200 0.223 0.000 0.837 24 S HN 0.886 nan 8.310 nan 0.000 0.499 25 V N 3.183 123.183 119.914 0.145 0.000 2.626 25 V HA -0.001 4.119 4.120 -0.001 0.000 0.252 25 V C 0.869 177.075 176.094 0.186 0.000 1.067 25 V CA 0.938 63.324 62.300 0.144 0.000 1.081 25 V CB -0.567 31.307 31.823 0.086 0.000 0.686 25 V HN 0.783 nan 8.190 nan 0.000 0.468 26 I N 0.728 121.388 120.570 0.150 0.000 2.339 26 I HA 0.286 4.456 4.170 -0.001 0.000 0.290 26 I C 0.446 176.513 176.117 -0.084 0.000 0.994 26 I CA -0.831 60.500 61.300 0.051 0.000 1.191 26 I CB 1.126 39.154 38.000 0.047 0.000 1.343 26 I HN 0.269 nan 8.210 nan 0.000 0.458 27 E N 8.443 128.346 120.200 -0.496 0.000 2.480 27 E HA 0.062 4.411 4.350 -0.001 0.000 0.258 27 E C -2.113 174.371 176.600 -0.194 0.000 0.984 27 E CA -1.040 54.803 56.400 -0.929 0.000 0.930 27 E CB 0.699 29.981 29.700 -0.696 0.000 0.936 27 E HN 0.296 nan 8.360 nan 0.000 0.466 28 P HA 0.157 nan 4.420 nan 0.000 0.276 28 P C -0.330 176.832 177.300 -0.230 0.000 1.252 28 P CA -0.206 62.802 63.100 -0.154 0.000 0.802 28 P CB 0.794 32.431 31.700 -0.105 0.000 1.035 29 I N 1.182 121.523 120.570 -0.382 0.000 2.291 29 I HA 0.077 4.247 4.170 -0.001 0.000 0.292 29 I C 0.324 176.324 176.117 -0.195 0.000 1.064 29 I CA 0.014 61.082 61.300 -0.386 0.000 1.269 29 I CB 0.330 37.996 38.000 -0.557 0.000 1.418 29 I HN 0.154 nan 8.210 nan 0.000 0.485 30 S N 7.556 123.184 115.700 -0.120 0.000 2.404 30 S HA 0.371 4.841 4.470 -0.001 0.000 0.309 30 S C 0.951 175.498 174.600 -0.088 0.000 1.076 30 S CA -0.596 57.550 58.200 -0.090 0.000 1.095 30 S CB 0.839 64.001 63.200 -0.063 0.000 0.972 30 S HN 0.510 nan 8.310 nan 0.000 0.484 31 L N 1.810 122.969 121.223 -0.106 0.000 2.590 31 L HA 0.140 4.480 4.340 -0.001 0.000 0.227 31 L C 1.339 178.112 176.870 -0.161 0.000 1.099 31 L CA -0.131 54.644 54.840 -0.108 0.000 0.872 31 L CB -0.255 41.747 42.059 -0.095 0.000 1.088 31 L HN 0.683 nan 8.230 nan 0.000 0.479 32 S N -0.348 115.233 115.700 -0.198 0.000 2.599 32 S HA -0.113 4.357 4.470 -0.001 0.000 0.303 32 S C 1.145 175.498 174.600 -0.412 0.000 1.267 32 S CA 0.296 58.313 58.200 -0.305 0.000 1.055 32 S CB 0.808 63.770 63.200 -0.396 0.000 0.790 32 S HN 0.169 nan 8.310 nan 0.000 0.500 33 T N 3.255 117.603 114.554 -0.342 0.000 2.698 33 T HA 0.075 4.425 4.350 -0.001 0.000 0.260 33 T C 1.072 175.500 174.700 -0.453 0.000 1.044 33 T CA 1.541 63.447 62.100 -0.322 0.000 1.149 33 T CB -0.459 68.350 68.868 -0.099 0.000 0.864 33 T HN 0.995 nan 8.240 nan 0.000 0.419 34 T N -0.406 113.895 114.554 -0.422 0.000 2.841 34 T HA 0.728 5.077 4.350 -0.001 0.000 0.276 34 T C -1.102 173.114 174.700 -0.807 0.000 1.003 34 T CA -0.923 60.943 62.100 -0.389 0.000 0.995 34 T CB 1.305 70.178 68.868 0.008 0.000 1.260 34 T HN 0.083 nan 8.240 nan 0.000 0.581 35 F N -0.505 119.509 119.950 0.107 0.000 2.601 35 F HA 0.570 5.097 4.527 -0.001 0.000 0.309 35 F C 0.248 176.097 175.800 0.081 0.000 1.089 35 F CA -1.382 56.672 58.000 0.091 0.000 0.940 35 F CB 1.889 40.964 39.000 0.124 0.000 1.273 35 F HN 0.426 nan 8.300 nan 0.000 0.450 36 K N 1.260 121.802 120.400 0.236 0.000 2.230 36 K HA 0.366 4.686 4.320 -0.001 0.000 0.253 36 K C -0.726 175.961 176.600 0.145 0.000 1.008 36 K CA -0.513 55.864 56.287 0.149 0.000 0.910 36 K CB 0.481 33.046 32.500 0.109 0.000 0.994 36 K HN 0.609 nan 8.250 nan 0.000 0.495 37 Q N -0.013 119.846 119.800 0.099 0.000 2.372 37 Q HA 0.135 4.474 4.340 -0.001 0.000 0.273 37 Q C 0.582 176.615 176.000 0.055 0.000 1.078 37 Q CA -0.505 55.345 55.803 0.079 0.000 0.806 37 Q CB 2.059 30.841 28.738 0.073 0.000 1.332 37 Q HN 0.795 nan 8.270 nan 0.000 0.435 38 S N 0.881 116.608 115.700 0.044 0.000 2.348 38 S HA -0.089 4.380 4.470 -0.001 0.000 0.221 38 S C 0.994 175.611 174.600 0.028 0.000 1.033 38 S CA 1.097 59.316 58.200 0.033 0.000 1.010 38 S CB 0.032 63.246 63.200 0.024 0.000 0.891 38 S HN 0.512 nan 8.310 nan 0.000 0.442 39 S N 0.449 116.165 115.700 0.027 0.000 2.548 39 S HA 0.583 5.052 4.470 -0.001 0.000 0.286 39 S C -2.516 172.100 174.600 0.026 0.000 1.098 39 S CA -1.639 56.575 58.200 0.023 0.000 0.930 39 S CB 1.489 64.699 63.200 0.017 0.000 1.070 39 S HN -0.035 nan 8.310 nan 0.000 0.480 40 P HA -0.205 nan 4.420 nan 0.000 0.219 40 P C 1.342 178.657 177.300 0.026 0.000 1.153 40 P CA 2.337 65.452 63.100 0.025 0.000 0.865 40 P CB -0.009 31.702 31.700 0.018 0.000 0.788 41 A N -1.219 121.614 122.820 0.021 0.000 1.828 41 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 41 A C 1.071 178.669 177.584 0.024 0.000 1.203 41 A CA 1.464 53.513 52.037 0.020 0.000 0.614 41 A CB -0.793 18.216 19.000 0.015 0.000 0.844 41 A HN 0.186 nan 8.150 nan 0.000 0.445 42 N N -0.335 118.379 118.700 0.022 0.000 2.314 42 N HA 0.417 5.156 4.740 -0.001 0.000 0.294 42 N C -2.883 172.644 175.510 0.028 0.000 1.029 42 N CA -1.465 51.599 53.050 0.022 0.000 0.845 42 N CB 1.508 40.000 38.487 0.009 0.000 1.321 42 N HN -0.013 nan 8.380 nan 0.000 0.481 43 P HA -0.136 nan 4.420 nan 0.000 0.280 43 P C 0.470 177.796 177.300 0.043 0.000 1.526 43 P CA 0.578 63.712 63.100 0.057 0.000 1.189 43 P CB 0.460 32.190 31.700 0.049 0.000 0.997 44 I N -2.007 118.599 120.570 0.060 0.000 3.569 44 I HA 0.669 4.838 4.170 -0.001 0.000 0.334 44 I C 0.595 176.739 176.117 0.046 0.000 1.570 44 I CA 0.439 61.771 61.300 0.053 0.000 1.082 44 I CB -0.154 37.890 38.000 0.073 0.000 1.323 44 I HN 0.481 nan 8.210 nan 0.000 0.489 45 G N -1.116 107.689 108.800 0.007 0.000 2.308 45 G HA2 0.325 4.284 3.960 -0.001 0.000 0.288 45 G HA3 0.325 4.284 3.960 -0.001 0.000 0.288 45 G C 0.220 175.032 174.900 -0.146 0.000 1.722 45 G CA 0.248 45.328 45.100 -0.033 0.000 0.924 45 G HN 0.339 nan 8.290 nan 0.000 0.732 46 T N 0.854 115.259 114.554 -0.249 0.000 2.984 46 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 46 T C 0.492 174.827 174.700 -0.608 0.000 1.163 46 T CA 1.693 63.546 62.100 -0.411 0.000 1.103 46 T CB -0.531 68.037 68.868 -0.502 0.000 0.798 46 T HN 0.390 nan 8.240 nan 0.000 0.586 47 Y N 0.634 120.688 120.300 -0.410 0.000 2.341 47 Y HA 0.374 4.924 4.550 -0.001 0.000 0.337 47 Y C 1.287 176.826 175.900 -0.601 0.000 1.014 47 Y CA -1.098 56.552 58.100 -0.750 0.000 1.111 47 Y CB 1.250 38.731 38.460 -1.630 0.000 1.194 47 Y HN 0.166 nan 8.280 nan 0.000 0.462 48 E N 1.405 121.627 120.200 0.036 0.000 2.357 48 E HA 0.075 4.425 4.350 -0.001 0.000 0.202 48 E C -0.883 176.142 176.600 0.708 0.000 0.855 48 E CA 0.089 56.705 56.400 0.361 0.000 1.048 48 E CB 0.763 30.587 29.700 0.207 0.000 1.037 48 E HN 0.460 nan 8.360 nan 0.000 0.499 49 Y N 1.157 121.726 120.300 0.449 0.000 2.396 49 Y HA 0.279 4.828 4.550 -0.001 0.000 0.332 49 Y C 0.959 177.076 175.900 0.362 0.000 1.034 49 Y CA -1.052 57.265 58.100 0.363 0.000 1.057 49 Y CB 2.026 40.587 38.460 0.169 0.000 1.220 49 Y HN 0.029 nan 8.280 nan 0.000 0.440 50 S N 4.303 119.821 115.700 -0.303 0.000 2.407 50 S HA -0.352 4.117 4.470 -0.001 0.000 0.244 50 S C 2.194 176.674 174.600 -0.200 0.000 1.077 50 S CA 2.720 60.761 58.200 -0.264 0.000 1.159 50 S CB -0.277 62.636 63.200 -0.480 0.000 1.045 50 S HN 0.895 nan 8.310 nan 0.000 0.438 51 R N 0.209 120.482 120.500 -0.378 0.000 2.080 51 R HA -0.077 4.263 4.340 -0.001 0.000 0.236 51 R C 2.647 178.979 176.300 0.053 0.000 1.137 51 R CA 2.016 58.075 56.100 -0.067 0.000 0.943 51 R CB -0.970 29.387 30.300 0.094 0.000 0.846 51 R HN 0.498 nan 8.270 nan 0.000 0.431 52 S N -1.064 114.730 115.700 0.155 0.000 2.440 52 S HA -0.174 4.296 4.470 -0.001 0.000 0.238 52 S C 0.001 174.669 174.600 0.114 0.000 1.010 52 S CA 1.462 59.744 58.200 0.137 0.000 0.972 52 S CB -0.008 63.304 63.200 0.187 0.000 0.774 52 S HN 0.480 nan 8.310 nan 0.000 0.501 53 Q N 0.273 120.155 119.800 0.136 0.000 2.964 53 Q HA 0.209 4.549 4.340 -0.001 0.000 0.215 53 Q C -1.945 174.187 176.000 0.221 0.000 1.019 53 Q CA -0.452 55.453 55.803 0.170 0.000 0.990 53 Q CB 0.137 28.999 28.738 0.206 0.000 2.131 53 Q HN 0.453 nan 8.270 nan 0.000 0.522 54 N N 3.232 122.000 118.700 0.113 0.000 2.277 54 N HA 0.494 5.233 4.740 -0.001 0.000 0.286 54 N C -2.300 173.107 175.510 -0.170 0.000 1.140 54 N CA -1.395 51.597 53.050 -0.097 0.000 0.799 54 N CB 2.680 41.151 38.487 -0.026 0.000 1.596 54 N HN 0.451 nan 8.380 nan 0.000 0.473 55 P HA -0.236 nan 4.420 nan 0.000 0.217 55 P C 0.727 178.040 177.300 0.022 0.000 1.158 55 P CA 1.798 64.800 63.100 -0.163 0.000 0.887 55 P CB 0.112 31.686 31.700 -0.210 0.000 0.792 56 N N -0.821 117.889 118.700 0.017 0.000 2.104 56 N HA -0.154 4.585 4.740 -0.001 0.000 0.190 56 N C 2.227 177.781 175.510 0.073 0.000 1.024 56 N CA 0.811 53.916 53.050 0.092 0.000 0.853 56 N CB -0.322 38.230 38.487 0.109 0.000 1.008 56 N HN 0.131 nan 8.380 nan 0.000 0.424 57 R N 1.338 121.860 120.500 0.038 0.000 2.064 57 R HA -0.110 4.230 4.340 -0.001 0.000 0.228 57 R C 2.146 178.453 176.300 0.012 0.000 1.144 57 R CA 1.349 57.457 56.100 0.013 0.000 0.932 57 R CB -0.167 30.132 30.300 -0.001 0.000 0.833 57 R HN 0.218 nan 8.270 nan 0.000 0.429 58 E N 0.238 120.470 120.200 0.054 0.000 2.086 58 E HA -0.288 4.062 4.350 -0.001 0.000 0.205 58 E C 1.604 178.229 176.600 0.042 0.000 1.027 58 E CA 1.890 58.337 56.400 0.078 0.000 0.830 58 E CB -0.114 29.687 29.700 0.167 0.000 0.751 58 E HN 0.341 nan 8.360 nan 0.000 0.456 59 N N 0.608 119.346 118.700 0.064 0.000 2.166 59 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 59 N C 1.904 177.315 175.510 -0.164 0.000 1.019 59 N CA 1.023 54.100 53.050 0.044 0.000 0.856 59 N CB -0.480 38.113 38.487 0.176 0.000 0.993 59 N HN 0.235 nan 8.380 nan 0.000 0.426 60 L N 1.846 122.942 121.223 -0.213 0.000 1.976 60 L HA -0.127 4.213 4.340 -0.001 0.000 0.209 60 L C 1.846 178.558 176.870 -0.264 0.000 1.071 60 L CA 1.786 56.381 54.840 -0.409 0.000 0.746 60 L CB -0.954 40.990 42.059 -0.192 0.000 0.890 60 L HN 0.105 nan 8.230 nan 0.000 0.432 61 E N -0.348 119.776 120.200 -0.126 0.000 2.086 61 E HA -0.310 4.039 4.350 -0.001 0.000 0.200 61 E C 2.251 178.803 176.600 -0.080 0.000 1.012 61 E CA 1.939 58.298 56.400 -0.069 0.000 0.812 61 E CB -0.256 29.437 29.700 -0.011 0.000 0.743 61 E HN 0.528 nan 8.360 nan 0.000 0.453 62 R N 0.287 120.736 120.500 -0.085 0.000 2.073 62 R HA -0.123 4.217 4.340 -0.001 0.000 0.234 62 R C 2.446 178.678 176.300 -0.114 0.000 1.134 62 R CA 1.182 57.231 56.100 -0.085 0.000 0.952 62 R CB -0.372 29.898 30.300 -0.050 0.000 0.850 62 R HN 0.139 nan 8.270 nan 0.000 0.433 63 A N 0.764 123.484 122.820 -0.168 0.000 1.858 63 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 63 A C 2.403 179.893 177.584 -0.157 0.000 1.190 63 A CA 1.536 53.466 52.037 -0.179 0.000 0.617 63 A CB -0.732 18.085 19.000 -0.305 0.000 0.827 63 A HN 0.115 nan 8.150 nan 0.000 0.443 64 V N 0.014 119.835 119.914 -0.154 0.000 2.255 64 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 64 V C 3.095 179.151 176.094 -0.064 0.000 1.051 64 V CA 2.142 64.380 62.300 -0.104 0.000 1.018 64 V CB -1.390 30.382 31.823 -0.085 0.000 0.641 64 V HN 0.647 nan 8.190 nan 0.000 0.445 65 A N 0.029 122.814 122.820 -0.058 0.000 1.892 65 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 65 A C 2.447 179.992 177.584 -0.065 0.000 1.188 65 A CA 2.640 54.648 52.037 -0.048 0.000 0.631 65 A CB -0.996 17.953 19.000 -0.085 0.000 0.822 65 A HN 0.636 nan 8.150 nan 0.000 0.447 66 A N -0.377 122.386 122.820 -0.095 0.000 1.908 66 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 66 A C 2.152 179.671 177.584 -0.109 0.000 1.181 66 A CA 1.623 53.597 52.037 -0.105 0.000 0.627 66 A CB -0.639 18.289 19.000 -0.119 0.000 0.818 66 A HN 0.510 nan 8.150 nan 0.000 0.445 67 L N -1.212 119.930 121.223 -0.134 0.000 2.217 67 L HA -0.071 4.269 4.340 -0.001 0.000 0.211 67 L C 2.091 179.010 176.870 0.081 0.000 1.107 67 L CA 1.214 55.965 54.840 -0.148 0.000 0.783 67 L CB -0.336 41.612 42.059 -0.185 0.000 0.919 67 L HN 0.316 nan 8.230 nan 0.000 0.442 68 E N 0.528 120.762 120.200 0.056 0.000 2.403 68 E HA -0.064 4.286 4.350 -0.001 0.000 0.187 68 E C 0.295 176.935 176.600 0.068 0.000 1.073 68 E CA -0.217 56.246 56.400 0.106 0.000 0.888 68 E CB -0.444 29.326 29.700 0.115 0.000 1.035 68 E HN 0.247 nan 8.360 nan 0.000 0.471 69 N N -0.266 118.453 118.700 0.033 0.000 2.714 69 N HA -0.264 4.475 4.740 -0.001 0.000 0.252 69 N C -1.557 173.945 175.510 -0.015 0.000 1.014 69 N CA 0.900 53.952 53.050 0.004 0.000 0.735 69 N CB -1.076 37.423 38.487 0.020 0.000 0.924 69 N HN 0.249 nan 8.380 nan 0.000 0.540 70 A N -0.227 122.572 122.820 -0.036 0.000 2.469 70 A HA 0.626 4.945 4.320 -0.001 0.000 0.299 70 A C 0.755 178.249 177.584 -0.151 0.000 1.098 70 A CA -0.578 51.428 52.037 -0.052 0.000 0.737 70 A CB 1.192 20.192 19.000 0.001 0.000 1.312 70 A HN 0.194 nan 8.150 nan 0.000 0.414 71 Q N -0.552 119.114 119.800 -0.224 0.000 2.137 71 Q HA 0.035 4.375 4.340 -0.001 0.000 0.198 71 Q C -0.652 174.802 176.000 -0.910 0.000 0.960 71 Q CA 1.562 57.018 55.803 -0.577 0.000 0.847 71 Q CB -0.082 28.245 28.738 -0.685 0.000 0.915 71 Q HN 0.706 nan 8.270 nan 0.000 0.448 72 Y N -1.367 118.794 120.300 -0.231 0.000 2.536 72 Y HA 0.663 5.213 4.550 -0.001 0.000 0.347 72 Y C 0.472 176.268 175.900 -0.173 0.000 1.000 72 Y CA -1.019 56.849 58.100 -0.387 0.000 1.051 72 Y CB 2.097 40.051 38.460 -0.843 0.000 1.259 72 Y HN -0.123 nan 8.280 nan 0.000 0.468 73 G N 1.488 110.307 108.800 0.031 0.000 2.659 73 G HA2 0.777 4.737 3.960 -0.001 0.000 0.296 73 G HA3 0.777 4.737 3.960 -0.001 0.000 0.296 73 G C -2.132 172.873 174.900 0.175 0.000 1.369 73 G CA -0.917 44.243 45.100 0.101 0.000 0.937 73 G HN 0.528 nan 8.290 nan 0.000 0.485 74 L N 0.606 121.919 121.223 0.149 0.000 2.614 74 L HA 0.623 4.962 4.340 -0.001 0.000 0.264 74 L C 0.120 176.899 176.870 -0.153 0.000 0.940 74 L CA -0.874 53.971 54.840 0.009 0.000 0.903 74 L CB 2.028 44.154 42.059 0.111 0.000 1.306 74 L HN 0.792 nan 8.230 nan 0.000 0.410 75 A N 2.696 125.326 122.820 -0.317 0.000 2.282 75 A HA 0.974 5.293 4.320 -0.001 0.000 0.319 75 A C -1.172 176.079 177.584 -0.555 0.000 1.121 75 A CA -0.149 51.760 52.037 -0.215 0.000 0.836 75 A CB 0.887 19.833 19.000 -0.090 0.000 1.146 75 A HN 0.507 nan 8.150 nan 0.000 0.494 76 F N -0.992 119.009 119.950 0.084 0.000 2.715 76 F HA 0.354 4.881 4.527 -0.000 0.000 0.318 76 F C 1.559 177.405 175.800 0.076 0.000 1.141 76 F CA -0.263 57.784 58.000 0.079 0.000 0.950 76 F CB 1.520 40.571 39.000 0.084 0.000 1.374 76 F HN 0.505 nan 8.300 nan 0.000 0.477 77 S N -0.100 115.770 115.700 0.284 0.000 2.374 77 S HA -0.104 4.366 4.470 -0.001 0.000 0.227 77 S C 0.393 175.093 174.600 0.167 0.000 1.037 77 S CA 1.604 59.912 58.200 0.181 0.000 1.024 77 S CB -0.440 62.851 63.200 0.151 0.000 0.861 77 S HN 0.629 nan 8.310 nan 0.000 0.456 78 S N -1.558 114.252 115.700 0.183 0.000 2.656 78 S HA 0.669 5.138 4.470 -0.001 0.000 0.273 78 S C 0.961 175.656 174.600 0.158 0.000 1.168 78 S CA -0.499 57.790 58.200 0.149 0.000 0.817 78 S CB 1.128 64.397 63.200 0.115 0.000 1.146 78 S HN 0.176 nan 8.310 nan 0.000 0.475 79 G N 1.368 110.251 108.800 0.138 0.000 2.459 79 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.217 79 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.217 79 G C 1.325 176.293 174.900 0.113 0.000 1.183 79 G CA 1.256 46.441 45.100 0.142 0.000 0.776 79 G HN 0.744 nan 8.290 nan 0.000 0.552 80 S N 1.206 116.960 115.700 0.090 0.000 2.389 80 S HA -0.207 4.262 4.470 -0.001 0.000 0.231 80 S C 2.723 177.338 174.600 0.025 0.000 1.052 80 S CA 1.593 59.832 58.200 0.065 0.000 1.053 80 S CB -0.515 62.729 63.200 0.073 0.000 0.886 80 S HN 0.659 nan 8.310 nan 0.000 0.456 81 A N 0.784 123.621 122.820 0.029 0.000 1.969 81 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 81 A C 2.291 179.740 177.584 -0.224 0.000 1.169 81 A CA 1.838 53.855 52.037 -0.032 0.000 0.635 81 A CB -1.004 18.036 19.000 0.067 0.000 0.810 81 A HN 0.489 nan 8.150 nan 0.000 0.445 82 T N -0.665 113.782 114.554 -0.180 0.000 2.904 82 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 82 T C 1.894 176.515 174.700 -0.131 0.000 1.059 82 T CA 1.787 63.694 62.100 -0.322 0.000 1.137 82 T CB -0.247 68.656 68.868 0.058 0.000 0.879 82 T HN 0.510 nan 8.240 nan 0.000 0.467 83 T N 1.579 116.136 114.554 0.005 0.000 2.942 83 T HA 0.178 4.528 4.350 -0.001 0.000 0.265 83 T C 2.379 177.019 174.700 -0.100 0.000 1.062 83 T CA 0.811 62.939 62.100 0.046 0.000 1.139 83 T CB -0.277 68.578 68.868 -0.022 0.000 0.883 83 T HN 0.382 nan 8.240 nan 0.000 0.468 84 A N 1.426 124.175 122.820 -0.118 0.000 1.873 84 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 84 A C 2.508 180.003 177.584 -0.148 0.000 1.186 84 A CA 1.904 53.866 52.037 -0.125 0.000 0.616 84 A CB -1.180 17.768 19.000 -0.087 0.000 0.823 84 A HN 0.440 nan 8.150 nan 0.000 0.442 85 T N 0.486 114.904 114.554 -0.227 0.000 2.788 85 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 85 T C 1.762 176.389 174.700 -0.122 0.000 1.044 85 T CA 1.473 63.447 62.100 -0.210 0.000 1.139 85 T CB -0.407 68.195 68.868 -0.444 0.000 0.867 85 T HN 0.436 nan 8.240 nan 0.000 0.454 86 I N 0.639 121.144 120.570 -0.108 0.000 2.252 86 I HA -0.095 4.075 4.170 -0.001 0.000 0.245 86 I C 2.184 178.254 176.117 -0.077 0.000 1.102 86 I CA 1.187 62.470 61.300 -0.029 0.000 1.385 86 I CB -0.399 37.657 38.000 0.092 0.000 1.064 86 I HN 0.202 nan 8.210 nan 0.000 0.414 87 L N 0.621 121.749 121.223 -0.158 0.000 2.156 87 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 87 L C 2.642 179.429 176.870 -0.139 0.000 1.095 87 L CA 1.060 55.763 54.840 -0.228 0.000 0.770 87 L CB -0.536 41.309 42.059 -0.357 0.000 0.914 87 L HN 0.425 nan 8.230 nan 0.000 0.439 88 Q N -0.344 119.398 119.800 -0.096 0.000 2.451 88 Q HA -0.064 4.275 4.340 -0.001 0.000 0.206 88 Q C 1.808 177.792 176.000 -0.026 0.000 0.947 88 Q CA 1.133 56.904 55.803 -0.053 0.000 0.937 88 Q CB -0.061 28.657 28.738 -0.033 0.000 1.025 88 Q HN 0.458 nan 8.270 nan 0.000 0.511 89 S N 0.059 115.742 115.700 -0.028 0.000 2.558 89 S HA 0.167 4.636 4.470 -0.001 0.000 0.217 89 S C 0.885 175.473 174.600 -0.020 0.000 0.975 89 S CA -0.488 57.708 58.200 -0.007 0.000 0.912 89 S CB -0.210 62.993 63.200 0.006 0.000 0.776 89 S HN 0.290 nan 8.310 nan 0.000 0.526 90 L N 2.742 123.941 121.223 -0.039 0.000 2.464 90 L HA 0.353 4.692 4.340 -0.001 0.000 0.264 90 L C -1.898 174.955 176.870 -0.029 0.000 1.199 90 L CA -2.015 52.801 54.840 -0.039 0.000 0.818 90 L CB 0.032 42.052 42.059 -0.065 0.000 1.102 90 L HN 0.146 nan 8.230 nan 0.000 0.473 91 P HA 0.012 nan 4.420 nan 0.000 0.276 91 P C -0.895 176.396 177.300 -0.014 0.000 1.230 91 P CA -0.525 62.565 63.100 -0.017 0.000 0.776 91 P CB 0.863 32.556 31.700 -0.012 0.000 0.888 92 Q N 2.576 122.369 119.800 -0.012 0.000 2.304 92 Q HA 0.222 4.561 4.340 -0.001 0.000 0.315 92 Q C 0.865 176.863 176.000 -0.003 0.000 1.075 92 Q CA 1.755 57.554 55.803 -0.007 0.000 0.988 92 Q CB -0.912 27.823 28.738 -0.004 0.000 1.146 92 Q HN 0.860 nan 8.270 nan 0.000 0.383 93 G N 3.233 112.033 108.800 0.001 0.000 2.462 93 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.283 93 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.283 93 G C -0.449 174.459 174.900 0.013 0.000 1.043 93 G CA 0.216 45.320 45.100 0.008 0.000 1.300 93 G HN 0.640 nan 8.290 nan 0.000 0.518 94 S N 0.355 116.065 115.700 0.018 0.000 2.810 94 S HA 0.863 5.332 4.470 -0.001 0.000 0.315 94 S C -0.454 174.197 174.600 0.086 0.000 1.138 94 S CA -0.772 57.450 58.200 0.036 0.000 0.889 94 S CB 2.095 65.297 63.200 0.003 0.000 1.236 94 S HN 0.773 nan 8.310 nan 0.000 0.548 95 H N -0.398 118.657 119.070 -0.023 0.000 2.851 95 H HA 0.733 5.290 4.556 0.001 0.000 0.372 95 H C -1.356 173.962 175.328 -0.016 0.000 1.158 95 H CA -0.521 55.517 56.048 -0.016 0.000 1.159 95 H CB 1.776 31.534 29.762 -0.006 0.000 1.757 95 H HN 0.788 nan 8.280 nan 0.000 0.546 96 A N 3.172 125.628 122.820 -0.607 0.000 2.527 96 A HA 0.683 5.003 4.320 -0.001 0.000 0.293 96 A C -1.395 175.952 177.584 -0.395 0.000 1.117 96 A CA -0.532 51.312 52.037 -0.321 0.000 0.723 96 A CB 1.781 20.668 19.000 -0.190 0.000 1.313 96 A HN 0.345 nan 8.150 nan 0.000 0.411 97 V N 0.919 120.785 119.914 -0.081 0.000 2.789 97 V HA 0.803 4.923 4.120 -0.001 0.000 0.311 97 V C -0.208 175.939 176.094 0.088 0.000 1.073 97 V CA -0.112 62.169 62.300 -0.031 0.000 0.921 97 V CB 1.786 33.635 31.823 0.043 0.000 1.009 97 V HN 1.436 nan 8.190 nan 0.000 0.426 98 S N 3.183 118.905 115.700 0.037 0.000 2.556 98 S HA 0.724 5.194 4.470 -0.001 0.000 0.271 98 S C -0.777 173.895 174.600 0.119 0.000 1.135 98 S CA -0.878 57.403 58.200 0.134 0.000 0.858 98 S CB 1.402 64.650 63.200 0.080 0.000 1.114 98 S HN 0.538 nan 8.310 nan 0.000 0.468 99 I N 2.276 122.935 120.570 0.148 0.000 2.872 99 I HA 0.143 4.313 4.170 -0.001 0.000 0.291 99 I C 1.937 178.134 176.117 0.134 0.000 1.216 99 I CA 0.378 61.746 61.300 0.114 0.000 1.424 99 I CB 0.236 38.289 38.000 0.088 0.000 1.351 99 I HN 1.047 nan 8.210 nan 0.000 0.592 100 G N 4.267 113.125 108.800 0.097 0.000 2.511 100 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 100 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 100 G C 0.541 175.451 174.900 0.016 0.000 1.218 100 G CA 0.279 45.419 45.100 0.067 0.000 0.788 100 G HN 0.706 nan 8.290 nan 0.000 0.560 101 D N 1.181 121.581 120.400 0.000 0.000 2.426 101 D HA 0.258 4.898 4.640 -0.001 0.000 0.271 101 D C 0.044 176.378 176.300 0.057 0.000 1.376 101 D CA 0.437 54.434 54.000 -0.004 0.000 1.149 101 D CB 0.741 41.538 40.800 -0.004 0.000 1.118 101 D HN -0.063 nan 8.370 nan 0.000 0.529 102 V N 1.923 121.879 119.914 0.070 0.000 3.141 102 V HA 0.258 4.378 4.120 -0.001 0.000 0.312 102 V C -0.384 175.814 176.094 0.175 0.000 1.157 102 V CA -1.040 61.336 62.300 0.127 0.000 1.041 102 V CB 1.971 33.854 31.823 0.100 0.000 1.071 102 V HN 0.213 nan 8.190 nan 0.000 0.441 103 Y N 0.822 121.145 120.300 0.039 0.000 2.304 103 Y HA 0.416 4.966 4.550 -0.001 0.000 0.327 103 Y C 1.507 177.402 175.900 -0.009 0.000 1.209 103 Y CA 0.881 59.001 58.100 0.032 0.000 1.299 103 Y CB 1.457 39.951 38.460 0.057 0.000 1.249 103 Y HN 0.759 nan 8.280 nan 0.000 0.519 104 G N 1.915 110.723 108.800 0.012 0.000 2.564 104 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.217 104 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.217 104 G C 1.601 176.576 174.900 0.126 0.000 1.120 104 G CA 0.846 45.959 45.100 0.021 0.000 0.752 104 G HN 0.968 nan 8.290 nan 0.000 0.558 105 G N 1.050 109.955 108.800 0.176 0.000 2.476 105 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 105 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 105 G C 1.992 176.906 174.900 0.024 0.000 1.164 105 G CA 2.350 47.529 45.100 0.131 0.000 0.768 105 G HN 0.567 nan 8.290 nan 0.000 0.560 106 T N -1.148 113.309 114.554 -0.161 0.000 2.595 106 T HA -0.245 4.105 4.350 -0.001 0.000 0.264 106 T C 1.978 176.555 174.700 -0.205 0.000 1.058 106 T CA 1.762 63.454 62.100 -0.680 0.000 1.166 106 T CB -0.843 67.168 68.868 -1.428 0.000 0.863 106 T HN 0.400 nan 8.240 nan 0.000 0.415 107 H N 2.229 121.255 119.070 -0.072 0.000 2.315 107 H HA -0.198 4.357 4.556 -0.001 0.000 0.284 107 H C 2.487 177.862 175.328 0.077 0.000 1.102 107 H CA 2.744 58.850 56.048 0.097 0.000 1.159 107 H CB -0.394 29.343 29.762 -0.043 0.000 1.382 107 H HN 0.393 nan 8.280 nan 0.000 0.542 108 R N -1.587 118.956 120.500 0.071 0.000 2.127 108 R HA -0.274 4.065 4.340 -0.001 0.000 0.228 108 R C 2.901 179.216 176.300 0.025 0.000 1.125 108 R CA 2.491 58.595 56.100 0.007 0.000 0.904 108 R CB -1.526 28.812 30.300 0.063 0.000 0.831 108 R HN 0.516 nan 8.270 nan 0.000 0.431 109 Y N 0.869 121.216 120.300 0.078 0.000 1.956 109 Y HA -0.318 4.231 4.550 -0.001 0.000 0.258 109 Y C 2.407 178.369 175.900 0.103 0.000 1.152 109 Y CA 2.216 60.365 58.100 0.081 0.000 1.093 109 Y CB -1.639 36.877 38.460 0.093 0.000 0.945 109 Y HN 0.052 nan 8.280 nan 0.000 0.488 110 F N 0.483 120.343 119.950 -0.150 0.000 2.127 110 F HA -0.312 4.215 4.527 -0.001 0.000 0.299 110 F C 2.577 178.304 175.800 -0.122 0.000 1.068 110 F CA 2.473 60.374 58.000 -0.165 0.000 1.263 110 F CB -1.262 37.617 39.000 -0.203 0.000 1.016 110 F HN 0.324 nan 8.300 nan 0.000 0.491 111 T N -0.964 113.638 114.554 0.080 0.000 2.809 111 T HA -0.077 4.273 4.350 -0.001 0.000 0.260 111 T C 2.362 177.043 174.700 -0.031 0.000 1.039 111 T CA 1.887 63.976 62.100 -0.018 0.000 1.141 111 T CB -0.523 68.278 68.868 -0.111 0.000 0.869 111 T HN 0.319 nan 8.240 nan 0.000 0.437 112 K N 1.306 121.691 120.400 -0.025 0.000 1.978 112 K HA -0.060 4.260 4.320 -0.001 0.000 0.214 112 K C 2.412 178.999 176.600 -0.022 0.000 1.049 112 K CA 1.864 58.137 56.287 -0.023 0.000 0.939 112 K CB -1.473 31.019 32.500 -0.013 0.000 0.721 112 K HN 0.264 nan 8.250 nan 0.000 0.441 113 V N 0.915 120.811 119.914 -0.031 0.000 2.867 113 V HA -0.016 4.103 4.120 -0.001 0.000 0.260 113 V C 2.204 178.278 176.094 -0.033 0.000 1.099 113 V CA 1.223 63.500 62.300 -0.038 0.000 1.122 113 V CB -0.706 31.077 31.823 -0.067 0.000 0.708 113 V HN 0.638 nan 8.190 nan 0.000 0.490 114 A N 0.575 123.378 122.820 -0.028 0.000 2.840 114 A HA 0.146 4.465 4.320 -0.001 0.000 0.269 114 A C 0.615 178.203 177.584 0.006 0.000 1.439 114 A CA -0.313 51.720 52.037 -0.006 0.000 1.083 114 A CB -1.098 17.905 19.000 0.005 0.000 1.019 114 A HN 0.591 nan 8.150 nan 0.000 0.607 115 N N 0.899 119.599 118.700 -0.000 0.000 1.916 115 N HA -0.108 4.632 4.740 -0.001 0.000 0.307 115 N C 1.383 176.904 175.510 0.020 0.000 1.322 115 N CA 1.040 54.093 53.050 0.004 0.000 0.808 115 N CB 0.193 38.684 38.487 0.007 0.000 1.056 115 N HN 0.887 nan 8.380 nan 0.000 0.499 116 A N 2.878 125.700 122.820 0.003 0.000 1.344 116 A HA -0.300 4.019 4.320 -0.001 0.000 0.222 116 A C 1.098 178.692 177.584 0.016 0.000 0.364 116 A CA 1.809 53.854 52.037 0.012 0.000 1.096 116 A CB -1.113 17.917 19.000 0.049 0.000 1.468 116 A HN 0.846 nan 8.150 nan 0.000 0.722 117 H N -1.415 117.656 119.070 0.002 0.000 3.676 117 H HA 0.280 4.836 4.556 0.000 0.000 0.268 117 H C 1.602 176.934 175.328 0.006 0.000 1.127 117 H CA 1.163 57.216 56.048 0.008 0.000 1.162 117 H CB -0.528 29.241 29.762 0.013 0.000 1.967 117 H HN 0.895 nan 8.280 nan 0.000 0.850 118 G N 1.176 110.049 108.800 0.121 0.000 2.875 118 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.220 118 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.220 118 G C 0.476 175.404 174.900 0.048 0.000 1.293 118 G CA 1.182 46.319 45.100 0.062 0.000 0.789 118 G HN 0.128 nan 8.290 nan 0.000 0.677 119 V N 2.065 121.990 119.914 0.019 0.000 2.389 119 V HA 0.212 4.331 4.120 -0.001 0.000 0.264 119 V C 0.465 176.572 176.094 0.021 0.000 1.049 119 V CA -0.389 61.904 62.300 -0.012 0.000 0.932 119 V CB 0.965 32.729 31.823 -0.098 0.000 1.011 119 V HN 0.472 nan 8.190 nan 0.000 0.475 120 E N 2.768 123.004 120.200 0.060 0.000 2.447 120 E HA 0.270 4.619 4.350 -0.001 0.000 0.259 120 E C -0.335 176.234 176.600 -0.052 0.000 1.196 120 E CA 0.269 56.734 56.400 0.108 0.000 0.995 120 E CB 0.460 30.342 29.700 0.304 0.000 0.974 120 E HN 0.707 nan 8.360 nan 0.000 0.465 121 T N 0.853 115.365 114.554 -0.070 0.000 4.054 121 T HA 0.146 4.496 4.350 -0.001 0.000 0.353 121 T C -1.353 173.194 174.700 -0.255 0.000 0.979 121 T CA -0.798 61.142 62.100 -0.266 0.000 1.047 121 T CB 0.836 69.575 68.868 -0.214 0.000 1.121 121 T HN 0.419 nan 8.240 nan 0.000 0.469 122 S N 2.670 118.209 115.700 -0.268 0.000 2.601 122 S HA 0.670 5.140 4.470 -0.001 0.000 0.312 122 S C -0.249 174.285 174.600 -0.109 0.000 1.107 122 S CA -0.860 57.321 58.200 -0.033 0.000 1.129 122 S CB -0.225 63.106 63.200 0.217 0.000 0.982 122 S HN 0.441 nan 8.310 nan 0.000 0.469 123 F N 2.172 122.133 119.950 0.019 0.000 2.538 123 F HA 0.379 4.906 4.527 -0.001 0.000 0.371 123 F C 1.247 177.051 175.800 0.006 0.000 1.087 123 F CA 0.269 58.262 58.000 -0.012 0.000 1.250 123 F CB 0.657 39.634 39.000 -0.039 0.000 1.110 123 F HN 0.428 nan 8.300 nan 0.000 0.570 124 T N 3.522 118.176 114.554 0.167 0.000 2.916 124 T HA 0.217 4.566 4.350 -0.001 0.000 0.298 124 T C -0.759 173.988 174.700 0.078 0.000 1.031 124 T CA -0.988 61.172 62.100 0.101 0.000 0.993 124 T CB 1.645 70.554 68.868 0.068 0.000 1.045 124 T HN 0.493 nan 8.240 nan 0.000 0.454 125 N N 1.547 120.275 118.700 0.047 0.000 2.477 125 N HA 0.272 5.011 4.740 -0.001 0.000 0.284 125 N C -0.695 174.823 175.510 0.014 0.000 1.182 125 N CA -0.106 52.956 53.050 0.021 0.000 0.949 125 N CB 1.245 39.730 38.487 -0.004 0.000 1.204 125 N HN 0.826 nan 8.380 nan 0.000 0.526 126 D N 0.975 121.377 120.400 0.004 0.000 3.508 126 D HA -0.183 4.456 4.640 -0.001 0.000 0.232 126 D C 0.810 177.113 176.300 0.005 0.000 1.131 126 D CA 0.172 54.171 54.000 -0.001 0.000 1.040 126 D CB -0.538 40.259 40.800 -0.006 0.000 0.879 126 D HN 0.470 nan 8.370 nan 0.000 0.407 127 L N 3.419 124.647 121.223 0.009 0.000 1.976 127 L HA 0.013 4.353 4.340 -0.001 0.000 0.209 127 L C 2.107 178.976 176.870 -0.001 0.000 1.071 127 L CA 1.622 56.469 54.840 0.012 0.000 0.746 127 L CB -0.395 41.675 42.059 0.018 0.000 0.890 127 L HN 0.684 nan 8.230 nan 0.000 0.432 128 L N -0.028 121.193 121.223 -0.003 0.000 2.551 128 L HA -0.181 4.158 4.340 -0.001 0.000 0.230 128 L C 1.526 178.386 176.870 -0.017 0.000 1.163 128 L CA 0.609 55.445 54.840 -0.008 0.000 0.826 128 L CB -0.631 41.428 42.059 0.000 0.000 0.943 128 L HN 0.466 nan 8.230 nan 0.000 0.452 129 N N -1.195 117.495 118.700 -0.018 0.000 2.332 129 N HA -0.010 4.729 4.740 -0.001 0.000 0.190 129 N C 0.570 176.061 175.510 -0.031 0.000 1.117 129 N CA 0.397 53.435 53.050 -0.021 0.000 0.883 129 N CB 0.585 39.066 38.487 -0.010 0.000 1.089 129 N HN 0.249 nan 8.380 nan 0.000 0.480 130 D N 0.247 120.631 120.400 -0.027 0.000 2.433 130 D HA 0.066 4.706 4.640 -0.001 0.000 0.211 130 D C 1.753 178.031 176.300 -0.038 0.000 1.114 130 D CA -0.218 53.768 54.000 -0.024 0.000 0.837 130 D CB 0.513 41.315 40.800 0.002 0.000 0.984 130 D HN 0.018 nan 8.370 nan 0.000 0.505 131 L N 2.091 123.280 121.223 -0.056 0.000 2.083 131 L HA 0.004 4.344 4.340 -0.001 0.000 0.209 131 L C -0.865 175.916 176.870 -0.148 0.000 1.083 131 L CA 1.934 56.735 54.840 -0.065 0.000 0.752 131 L CB -1.065 40.964 42.059 -0.050 0.000 0.899 131 L HN -0.034 nan 8.230 nan 0.000 0.433 132 P HA -0.214 nan 4.420 nan 0.000 0.215 132 P C 1.289 178.472 177.300 -0.196 0.000 1.157 132 P CA 1.535 64.300 63.100 -0.560 0.000 0.859 132 P CB -0.103 31.074 31.700 -0.871 0.000 0.786 133 Q N -0.380 119.351 119.800 -0.114 0.000 2.181 133 Q HA -0.093 4.247 4.340 -0.001 0.000 0.205 133 Q C 2.276 178.262 176.000 -0.023 0.000 0.980 133 Q CA 1.249 57.028 55.803 -0.041 0.000 0.862 133 Q CB -0.497 28.227 28.738 -0.025 0.000 0.905 133 Q HN 0.335 nan 8.270 nan 0.000 0.429 134 L N -0.728 120.485 121.223 -0.017 0.000 2.515 134 L HA 0.079 4.419 4.340 -0.001 0.000 0.223 134 L C 1.972 178.862 176.870 0.033 0.000 1.079 134 L CA -0.132 54.718 54.840 0.017 0.000 0.857 134 L CB -0.056 42.043 42.059 0.067 0.000 1.050 134 L HN 0.126 nan 8.230 nan 0.000 0.476 135 I N 0.384 120.967 120.570 0.021 0.000 2.356 135 I HA -0.364 3.806 4.170 -0.001 0.000 0.259 135 I C 1.795 177.950 176.117 0.063 0.000 1.096 135 I CA 1.439 62.770 61.300 0.052 0.000 1.389 135 I CB -0.061 37.966 38.000 0.044 0.000 1.070 135 I HN 0.255 nan 8.210 nan 0.000 0.445 136 K N -0.178 120.224 120.400 0.004 0.000 2.209 136 K HA 0.234 4.554 4.320 -0.001 0.000 0.252 136 K C 0.565 177.029 176.600 -0.228 0.000 1.062 136 K CA 0.036 56.294 56.287 -0.048 0.000 1.003 136 K CB 0.693 33.176 32.500 -0.028 0.000 1.495 136 K HN 0.097 nan 8.250 nan 0.000 0.641 137 E N -0.258 119.803 120.200 -0.231 0.000 4.207 137 E HA -0.186 4.164 4.350 -0.001 0.000 0.356 137 E C -0.651 175.748 176.600 -0.337 0.000 0.697 137 E CA 0.862 57.060 56.400 -0.338 0.000 1.445 137 E CB -1.302 28.064 29.700 -0.556 0.000 1.756 137 E HN 0.643 nan 8.360 nan 0.000 0.369 138 N N -0.624 117.978 118.700 -0.163 0.000 2.974 138 N HA -0.129 4.611 4.740 -0.001 0.000 0.191 138 N C -0.419 175.159 175.510 0.115 0.000 0.960 138 N CA 1.425 54.466 53.050 -0.016 0.000 1.054 138 N CB -1.516 36.977 38.487 0.010 0.000 1.002 138 N HN 0.592 nan 8.380 nan 0.000 0.549 139 T N -0.453 114.210 114.554 0.182 0.000 2.934 139 T HA 0.228 4.577 4.350 -0.001 0.000 0.306 139 T C 1.000 175.775 174.700 0.125 0.000 1.042 139 T CA 0.523 62.801 62.100 0.296 0.000 1.145 139 T CB 0.731 69.840 68.868 0.401 0.000 0.982 139 T HN 0.129 nan 8.240 nan 0.000 0.544 140 K N 2.278 122.727 120.400 0.081 0.000 2.538 140 K HA 0.275 4.595 4.320 -0.001 0.000 0.215 140 K C -0.177 176.443 176.600 0.033 0.000 1.345 140 K CA -0.244 56.068 56.287 0.043 0.000 0.985 140 K CB 0.568 33.081 32.500 0.020 0.000 1.116 140 K HN 0.582 nan 8.250 nan 0.000 0.582 141 L N 0.779 122.018 121.223 0.027 0.000 2.370 141 L HA 0.511 4.851 4.340 -0.001 0.000 0.266 141 L C -1.456 175.465 176.870 0.084 0.000 1.002 141 L CA -0.822 54.046 54.840 0.048 0.000 0.818 141 L CB 2.330 44.398 42.059 0.015 0.000 1.325 141 L HN -0.246 nan 8.230 nan 0.000 0.418 142 V N 3.645 123.630 119.914 0.119 0.000 2.482 142 V HA 0.325 4.445 4.120 -0.001 0.000 0.295 142 V C -1.206 175.008 176.094 0.199 0.000 1.026 142 V CA -0.510 61.871 62.300 0.134 0.000 0.856 142 V CB 1.706 33.577 31.823 0.079 0.000 1.001 142 V HN 0.752 nan 8.190 nan 0.000 0.424 143 W N 7.000 128.338 121.300 0.063 0.000 2.349 143 W HA 0.685 5.344 4.660 -0.001 0.000 0.309 143 W C -1.328 175.217 176.519 0.044 0.000 1.083 143 W CA -0.719 56.678 57.345 0.086 0.000 1.224 143 W CB 1.520 31.114 29.460 0.222 0.000 1.256 143 W HN 0.426 nan 8.180 nan 0.000 0.461 144 I N 4.591 125.094 120.570 -0.111 0.000 2.406 144 I HA 0.114 4.283 4.170 -0.001 0.000 0.290 144 I C 0.093 176.120 176.117 -0.151 0.000 0.999 144 I CA -0.477 60.782 61.300 -0.069 0.000 1.124 144 I CB 2.196 40.140 38.000 -0.094 0.000 1.289 144 I HN 0.344 nan 8.210 nan 0.000 0.441 145 E N 5.283 125.472 120.200 -0.018 0.000 2.373 145 E HA 0.134 4.483 4.350 -0.001 0.000 0.233 145 E C 1.035 177.577 176.600 -0.098 0.000 1.035 145 E CA -0.147 56.217 56.400 -0.059 0.000 0.930 145 E CB 0.542 30.264 29.700 0.036 0.000 1.278 145 E HN 0.827 nan 8.360 nan 0.000 0.452 146 T N 0.965 115.442 114.554 -0.129 0.000 2.397 146 T HA -0.197 4.153 4.350 -0.001 0.000 0.236 146 T C -1.642 173.023 174.700 -0.059 0.000 1.393 146 T CA 0.845 62.885 62.100 -0.100 0.000 1.148 146 T CB -1.746 67.045 68.868 -0.129 0.000 0.853 146 T HN 0.315 nan 8.240 nan 0.000 0.419 147 P HA 0.357 nan 4.420 nan 0.000 0.297 147 P C 0.006 177.282 177.300 -0.040 0.000 1.342 147 P CA -0.384 62.721 63.100 0.009 0.000 0.801 147 P CB 0.923 32.676 31.700 0.088 0.000 0.920 148 T N 0.536 115.100 114.554 0.016 0.000 2.932 148 T HA 0.111 4.461 4.350 -0.001 0.000 0.312 148 T C 0.238 175.000 174.700 0.103 0.000 1.071 148 T CA -0.375 61.736 62.100 0.019 0.000 1.128 148 T CB 0.090 68.982 68.868 0.040 0.000 0.984 148 T HN 0.183 nan 8.240 nan 0.000 0.549 149 N N 3.087 121.863 118.700 0.127 0.000 2.425 149 N HA 0.400 5.139 4.740 -0.001 0.000 0.268 149 N C -1.751 173.912 175.510 0.255 0.000 0.991 149 N CA -2.302 50.948 53.050 0.335 0.000 0.931 149 N CB 1.571 40.347 38.487 0.482 0.000 1.130 149 N HN 0.440 nan 8.380 nan 0.000 0.493 150 P HA 0.174 nan 4.420 nan 0.000 0.291 150 P C 0.315 177.715 177.300 0.167 0.000 1.341 150 P CA 0.054 63.294 63.100 0.235 0.000 0.999 150 P CB 0.608 32.427 31.700 0.199 0.000 1.501 151 T N 1.398 116.009 114.554 0.096 0.000 2.833 151 T HA -0.031 4.319 4.350 -0.001 0.000 0.269 151 T C 1.074 175.862 174.700 0.146 0.000 1.054 151 T CA 0.853 62.991 62.100 0.063 0.000 1.135 151 T CB -0.669 68.188 68.868 -0.018 0.000 0.869 151 T HN 0.122 nan 8.240 nan 0.000 0.466 152 L N 0.256 121.585 121.223 0.176 0.000 3.600 152 L HA -0.134 4.205 4.340 -0.001 0.000 0.424 152 L C 0.261 177.280 176.870 0.248 0.000 1.260 152 L CA -0.147 54.825 54.840 0.219 0.000 0.883 152 L CB -1.396 40.815 42.059 0.253 0.000 1.895 152 L HN 0.273 nan 8.230 nan 0.000 0.827 153 K N 1.098 121.596 120.400 0.164 0.000 2.312 153 K HA 0.511 4.831 4.320 -0.001 0.000 0.287 153 K C 0.100 176.774 176.600 0.124 0.000 1.062 153 K CA -0.478 55.895 56.287 0.143 0.000 0.934 153 K CB 1.151 33.677 32.500 0.044 0.000 1.027 153 K HN 0.078 nan 8.250 nan 0.000 0.478 154 V N 3.737 123.752 119.914 0.167 0.000 2.607 154 V HA 0.190 4.309 4.120 -0.001 0.000 0.289 154 V C 0.131 176.230 176.094 0.008 0.000 1.053 154 V CA -0.277 62.057 62.300 0.058 0.000 0.996 154 V CB 1.630 33.455 31.823 0.003 0.000 0.995 154 V HN 0.852 nan 8.190 nan 0.000 0.476 155 T N 2.689 117.228 114.554 -0.026 0.000 2.863 155 T HA 0.234 4.584 4.350 -0.001 0.000 0.285 155 T C -0.527 174.132 174.700 -0.068 0.000 1.009 155 T CA -0.401 61.676 62.100 -0.037 0.000 0.989 155 T CB 1.397 70.248 68.868 -0.030 0.000 1.004 155 T HN 0.729 nan 8.240 nan 0.000 0.455 156 D N 2.814 123.183 120.400 -0.052 0.000 2.402 156 D HA 0.168 4.808 4.640 -0.001 0.000 0.235 156 D C 1.352 177.631 176.300 -0.034 0.000 1.226 156 D CA -0.186 53.780 54.000 -0.057 0.000 0.918 156 D CB 0.337 41.122 40.800 -0.025 0.000 1.043 156 D HN 0.484 nan 8.370 nan 0.000 0.506 157 I N 2.439 122.970 120.570 -0.065 0.000 2.315 157 I HA -0.340 3.829 4.170 -0.001 0.000 0.251 157 I C 2.249 178.403 176.117 0.062 0.000 1.125 157 I CA 0.939 62.232 61.300 -0.012 0.000 1.392 157 I CB -0.045 37.941 38.000 -0.023 0.000 1.065 157 I HN 0.367 nan 8.210 nan 0.000 0.424 158 Q N 1.459 121.318 119.800 0.100 0.000 2.020 158 Q HA -0.144 4.195 4.340 -0.001 0.000 0.198 158 Q C 2.098 178.137 176.000 0.065 0.000 0.974 158 Q CA 1.683 57.552 55.803 0.110 0.000 0.829 158 Q CB -0.100 28.724 28.738 0.144 0.000 0.894 158 Q HN 0.270 nan 8.270 nan 0.000 0.433 159 K N -0.805 119.624 120.400 0.049 0.000 2.074 159 K HA -0.153 4.166 4.320 -0.001 0.000 0.209 159 K C 1.954 178.578 176.600 0.041 0.000 1.048 159 K CA 1.650 57.961 56.287 0.040 0.000 0.926 159 K CB -0.227 32.289 32.500 0.026 0.000 0.713 159 K HN 0.094 nan 8.250 nan 0.000 0.444 160 V N 0.785 120.719 119.914 0.033 0.000 2.453 160 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 160 V C 2.257 178.377 176.094 0.042 0.000 1.048 160 V CA 1.832 64.151 62.300 0.032 0.000 1.049 160 V CB -0.481 31.353 31.823 0.018 0.000 0.672 160 V HN 0.362 nan 8.190 nan 0.000 0.457 161 A N 0.032 122.879 122.820 0.044 0.000 1.902 161 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 161 A C 1.985 179.599 177.584 0.049 0.000 1.181 161 A CA 2.127 54.191 52.037 0.045 0.000 0.623 161 A CB -0.619 18.410 19.000 0.048 0.000 0.818 161 A HN 0.523 nan 8.150 nan 0.000 0.443 162 D N -0.413 120.018 120.400 0.051 0.000 2.078 162 D HA -0.134 4.506 4.640 -0.001 0.000 0.193 162 D C 1.798 178.141 176.300 0.072 0.000 0.990 162 D CA 1.219 55.249 54.000 0.051 0.000 0.827 162 D CB -0.608 40.221 40.800 0.048 0.000 0.975 162 D HN 0.260 nan 8.370 nan 0.000 0.451 163 L N 0.778 122.055 121.223 0.091 0.000 2.197 163 L HA -0.162 4.177 4.340 -0.001 0.000 0.215 163 L C 2.077 179.059 176.870 0.186 0.000 1.095 163 L CA 1.215 56.149 54.840 0.157 0.000 0.764 163 L CB -0.259 41.861 42.059 0.101 0.000 0.897 163 L HN 0.098 nan 8.230 nan 0.000 0.436 164 I N -1.391 119.245 120.570 0.109 0.000 2.333 164 I HA -0.245 3.925 4.170 -0.001 0.000 0.246 164 I C 2.202 178.369 176.117 0.084 0.000 1.106 164 I CA 0.856 62.214 61.300 0.097 0.000 1.411 164 I CB -0.258 37.781 38.000 0.065 0.000 1.082 164 I HN 0.181 nan 8.210 nan 0.000 0.420 165 K N 0.744 121.180 120.400 0.061 0.000 2.283 165 K HA -0.198 4.122 4.320 -0.001 0.000 0.202 165 K C 2.034 178.645 176.600 0.019 0.000 1.048 165 K CA 1.023 57.332 56.287 0.036 0.000 0.948 165 K CB 0.014 32.529 32.500 0.026 0.000 0.742 165 K HN 0.248 nan 8.250 nan 0.000 0.458 166 K N 0.476 120.891 120.400 0.025 0.000 2.056 166 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 166 K C 1.184 177.707 176.600 -0.130 0.000 1.035 166 K CA 1.040 57.284 56.287 -0.071 0.000 0.955 166 K CB 0.043 32.477 32.500 -0.111 0.000 0.769 166 K HN 0.122 nan 8.250 nan 0.000 0.447 167 H N -0.842 118.237 119.070 0.015 0.000 2.547 167 H HA 0.292 4.847 4.556 -0.001 0.000 0.274 167 H C -0.455 174.883 175.328 0.015 0.000 1.024 167 H CA 0.624 56.681 56.048 0.015 0.000 1.155 167 H CB 0.793 30.566 29.762 0.017 0.000 1.344 167 H HN 0.331 nan 8.280 nan 0.000 0.598 168 A N -0.070 122.806 122.820 0.093 0.000 3.009 168 A HA 0.536 4.856 4.320 -0.001 0.000 0.198 168 A C 0.259 177.867 177.584 0.041 0.000 1.289 168 A CA -0.082 51.995 52.037 0.066 0.000 1.343 168 A CB -0.703 18.345 19.000 0.080 0.000 1.180 168 A HN 0.315 nan 8.150 nan 0.000 0.689 169 A N -0.437 122.397 122.820 0.024 0.000 2.462 169 A HA 0.563 4.883 4.320 -0.001 0.000 0.243 169 A C 1.718 179.310 177.584 0.013 0.000 1.076 169 A CA 0.874 52.920 52.037 0.015 0.000 0.773 169 A CB -0.093 18.909 19.000 0.003 0.000 1.010 169 A HN 2.320 nan 8.150 nan 0.000 0.493 170 G N 0.617 109.424 108.800 0.012 0.000 2.268 170 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.240 170 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.240 170 G C 0.598 175.505 174.900 0.011 0.000 1.010 170 G CA 0.551 45.657 45.100 0.009 0.000 0.618 170 G HN 1.391 nan 8.290 nan 0.000 0.516 171 Q N 0.536 120.345 119.800 0.016 0.000 2.242 171 Q HA 0.369 4.709 4.340 -0.001 0.000 0.246 171 Q C 0.178 176.190 176.000 0.019 0.000 0.883 171 Q CA 0.173 55.986 55.803 0.017 0.000 0.984 171 Q CB 0.087 28.839 28.738 0.022 0.000 1.096 171 Q HN 0.328 nan 8.270 nan 0.000 0.452 172 D N 0.829 121.240 120.400 0.017 0.000 2.739 172 D HA -0.146 4.493 4.640 -0.001 0.000 0.230 172 D C -0.715 175.599 176.300 0.023 0.000 1.167 172 D CA 0.551 54.562 54.000 0.017 0.000 0.640 172 D CB -0.741 40.066 40.800 0.011 0.000 1.045 172 D HN 0.238 nan 8.370 nan 0.000 0.421 173 V N 2.143 122.075 119.914 0.030 0.000 2.403 173 V HA 0.023 4.143 4.120 -0.001 0.000 0.265 173 V C 1.204 177.319 176.094 0.035 0.000 1.034 173 V CA -0.175 62.148 62.300 0.038 0.000 1.036 173 V CB 0.245 32.098 31.823 0.049 0.000 1.032 173 V HN 0.133 nan 8.190 nan 0.000 0.478 174 I N 3.878 124.467 120.570 0.032 0.000 2.472 174 I HA 0.556 4.726 4.170 -0.001 0.000 0.290 174 I C -0.451 175.683 176.117 0.029 0.000 1.016 174 I CA -0.522 60.794 61.300 0.028 0.000 1.348 174 I CB 1.244 39.259 38.000 0.026 0.000 1.417 174 I HN 0.435 nan 8.210 nan 0.000 0.521 175 L N 7.486 128.716 121.223 0.012 0.000 2.272 175 L HA 0.548 4.888 4.340 -0.001 0.000 0.289 175 L C -0.700 176.126 176.870 -0.072 0.000 1.032 175 L CA -0.242 54.593 54.840 -0.009 0.000 0.810 175 L CB 1.421 43.478 42.059 -0.004 0.000 1.205 175 L HN 0.543 nan 8.230 nan 0.000 0.422 176 V N 5.823 125.647 119.914 -0.149 0.000 2.483 176 V HA 0.563 4.683 4.120 -0.001 0.000 0.295 176 V C -0.426 175.324 176.094 -0.574 0.000 1.035 176 V CA -0.663 61.410 62.300 -0.377 0.000 0.896 176 V CB 1.890 33.367 31.823 -0.577 0.000 0.986 176 V HN 0.516 nan 8.190 nan 0.000 0.447 177 V N 3.370 122.983 119.914 -0.502 0.000 2.444 177 V HA 0.348 4.467 4.120 -0.001 0.000 0.294 177 V C -0.269 175.528 176.094 -0.494 0.000 1.022 177 V CA -0.636 61.389 62.300 -0.458 0.000 0.850 177 V CB 1.864 33.533 31.823 -0.257 0.000 0.992 177 V HN 0.879 nan 8.190 nan 0.000 0.426 178 D N 3.888 123.988 120.400 -0.501 0.000 2.352 178 D HA 0.074 4.713 4.640 -0.001 0.000 0.245 178 D C 0.431 176.542 176.300 -0.315 0.000 1.224 178 D CA 0.171 53.965 54.000 -0.343 0.000 0.879 178 D CB 0.757 41.474 40.800 -0.140 0.000 1.057 178 D HN 0.584 nan 8.370 nan 0.000 0.491 179 N N 2.244 120.688 118.700 -0.426 0.000 2.251 179 N HA 0.016 4.756 4.740 -0.001 0.000 0.217 179 N C 1.109 176.483 175.510 -0.225 0.000 1.124 179 N CA -0.072 52.748 53.050 -0.384 0.000 0.843 179 N CB 0.432 38.633 38.487 -0.476 0.000 1.024 179 N HN 0.182 nan 8.380 nan 0.000 0.501 180 T N 0.116 114.620 114.554 -0.084 0.000 2.580 180 T HA -0.144 4.206 4.350 -0.001 0.000 0.265 180 T C 0.996 175.966 174.700 0.450 0.000 1.063 180 T CA 1.408 63.686 62.100 0.296 0.000 1.170 180 T CB -0.358 68.696 68.868 0.310 0.000 0.863 180 T HN 0.216 nan 8.240 nan 0.000 0.418 181 F N 0.809 120.801 119.950 0.070 0.000 2.250 181 F HA 0.062 4.589 4.527 -0.000 0.000 0.301 181 F C 2.076 177.651 175.800 -0.375 0.000 1.077 181 F CA 0.379 58.381 58.000 0.004 0.000 1.348 181 F CB -0.814 38.227 39.000 0.069 0.000 1.040 181 F HN 0.165 nan 8.300 nan 0.000 0.509 182 L N -1.248 119.905 121.223 -0.117 0.000 2.425 182 L HA 0.136 4.475 4.340 -0.001 0.000 0.215 182 L C 0.838 177.548 176.870 -0.268 0.000 1.065 182 L CA 0.602 55.274 54.840 -0.280 0.000 0.842 182 L CB -0.332 41.536 42.059 -0.319 0.000 1.033 182 L HN 0.202 nan 8.230 nan 0.000 0.474 183 S N -1.652 114.008 115.700 -0.068 0.000 3.327 183 S HA -0.107 4.363 4.470 -0.001 0.000 0.844 183 S C -1.953 172.730 174.600 0.138 0.000 1.110 183 S CA -0.276 57.987 58.200 0.105 0.000 1.105 183 S CB -1.670 61.530 63.200 -0.000 0.000 0.752 183 S HN -0.001 nan 8.310 nan 0.000 0.279 184 P HA -0.200 nan 4.420 nan 0.000 0.220 184 P C 1.434 178.825 177.300 0.151 0.000 1.155 184 P CA 2.240 65.497 63.100 0.262 0.000 0.880 184 P CB -0.226 31.681 31.700 0.345 0.000 0.790 185 Y N 0.080 120.271 120.300 -0.181 0.000 2.053 185 Y HA -0.222 4.328 4.550 -0.001 0.000 0.277 185 Y C 2.139 177.803 175.900 -0.393 0.000 1.159 185 Y CA 1.560 59.240 58.100 -0.699 0.000 1.125 185 Y CB -1.042 37.060 38.460 -0.597 0.000 0.969 185 Y HN -0.129 nan 8.280 nan 0.000 0.492 186 I N -1.199 119.137 120.570 -0.389 0.000 2.439 186 I HA -0.121 4.049 4.170 -0.001 0.000 0.251 186 I C 0.851 176.763 176.117 -0.342 0.000 1.139 186 I CA 1.184 62.232 61.300 -0.419 0.000 1.438 186 I CB -0.220 37.580 38.000 -0.333 0.000 1.085 186 I HN 0.115 nan 8.210 nan 0.000 0.427 187 S N -0.057 115.505 115.700 -0.229 0.000 2.565 187 S HA 0.395 4.865 4.470 -0.001 0.000 0.269 187 S C -1.154 173.451 174.600 0.008 0.000 1.153 187 S CA -0.716 57.403 58.200 -0.135 0.000 0.835 187 S CB 1.317 64.363 63.200 -0.257 0.000 1.122 187 S HN 0.229 nan 8.310 nan 0.000 0.462 188 N N 2.951 121.729 118.700 0.129 0.000 2.790 188 N HA 0.273 5.013 4.740 -0.001 0.000 0.256 188 N C -2.415 173.274 175.510 0.299 0.000 1.409 188 N CA -1.558 51.602 53.050 0.183 0.000 0.799 188 N CB 1.659 40.242 38.487 0.161 0.000 1.170 188 N HN 0.333 nan 8.380 nan 0.000 0.507 189 P HA -0.226 nan 4.420 nan 0.000 0.218 189 P C 1.167 178.614 177.300 0.245 0.000 1.147 189 P CA 1.099 64.315 63.100 0.193 0.000 0.827 189 P CB 0.358 32.053 31.700 -0.008 0.000 0.778 190 L N -1.177 120.133 121.223 0.144 0.000 2.046 190 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 190 L C 1.371 178.260 176.870 0.032 0.000 1.077 190 L CA 1.409 56.295 54.840 0.077 0.000 0.747 190 L CB -1.158 40.928 42.059 0.046 0.000 0.896 190 L HN 0.005 nan 8.230 nan 0.000 0.432 191 N N 0.063 118.742 118.700 -0.034 0.000 2.678 191 N HA -0.097 4.643 4.740 -0.001 0.000 0.199 191 N C -0.011 175.064 175.510 -0.726 0.000 1.353 191 N CA 0.838 53.671 53.050 -0.362 0.000 0.916 191 N CB -0.238 37.945 38.487 -0.507 0.000 1.057 191 N HN 0.300 nan 8.380 nan 0.000 0.449 192 F N -1.207 118.733 119.950 -0.018 0.000 2.739 192 F HA 0.321 4.848 4.527 -0.001 0.000 0.366 192 F C 0.973 176.762 175.800 -0.018 0.000 1.279 192 F CA -0.800 57.189 58.000 -0.019 0.000 1.151 192 F CB 0.280 39.265 39.000 -0.025 0.000 1.132 192 F HN -0.084 nan 8.300 nan 0.000 0.511 193 G N 1.839 110.687 108.800 0.080 0.000 2.438 193 G HA2 0.161 4.121 3.960 -0.001 0.000 0.272 193 G HA3 0.161 4.121 3.960 -0.001 0.000 0.272 193 G C -0.349 174.586 174.900 0.059 0.000 0.991 193 G CA 0.079 45.212 45.100 0.055 0.000 1.348 193 G HN 0.906 nan 8.290 nan 0.000 0.483 194 A N 1.046 123.893 122.820 0.045 0.000 2.486 194 A HA 0.796 5.116 4.320 -0.001 0.000 0.300 194 A C 0.531 178.123 177.584 0.013 0.000 1.048 194 A CA -0.009 52.038 52.037 0.016 0.000 0.696 194 A CB 1.186 20.192 19.000 0.011 0.000 1.278 194 A HN 0.205 nan 8.150 nan 0.000 0.405 195 D N 0.647 121.047 120.400 0.000 0.000 2.301 195 D HA 0.186 4.826 4.640 -0.001 0.000 0.206 195 D C 0.182 176.493 176.300 0.019 0.000 0.979 195 D CA 1.383 55.392 54.000 0.016 0.000 0.874 195 D CB 0.475 41.286 40.800 0.018 0.000 0.968 195 D HN 0.567 nan 8.370 nan 0.000 0.510 196 I N 0.785 121.343 120.570 -0.019 0.000 2.752 196 I HA 0.198 4.367 4.170 -0.001 0.000 0.295 196 I C -0.946 175.119 176.117 -0.088 0.000 1.219 196 I CA -1.141 60.148 61.300 -0.019 0.000 1.030 196 I CB 2.884 40.877 38.000 -0.012 0.000 1.259 196 I HN -0.388 nan 8.210 nan 0.000 0.423 197 V N 4.468 124.359 119.914 -0.039 0.000 2.384 197 V HA 0.566 4.686 4.120 -0.001 0.000 0.287 197 V C -0.100 175.959 176.094 -0.060 0.000 1.020 197 V CA -0.733 61.514 62.300 -0.088 0.000 0.850 197 V CB 1.507 33.336 31.823 0.010 0.000 0.987 197 V HN 0.445 nan 8.190 nan 0.000 0.436 198 V N 4.532 124.330 119.914 -0.195 0.000 2.630 198 V HA 0.636 4.756 4.120 -0.001 0.000 0.305 198 V C -0.388 175.617 176.094 -0.148 0.000 1.046 198 V CA -0.373 61.890 62.300 -0.062 0.000 0.934 198 V CB 1.791 33.587 31.823 -0.045 0.000 1.003 198 V HN 0.940 nan 8.190 nan 0.000 0.451 199 H N 1.148 120.281 119.070 0.105 0.000 2.996 199 H HA 0.345 4.901 4.556 -0.000 0.000 0.368 199 H C -0.886 174.522 175.328 0.133 0.000 1.185 199 H CA -0.480 55.637 56.048 0.114 0.000 1.160 199 H CB 2.297 32.129 29.762 0.117 0.000 1.820 199 H HN 0.552 nan 8.280 nan 0.000 0.547 200 S N 1.169 117.035 115.700 0.277 0.000 2.434 200 S HA 0.370 4.840 4.470 -0.001 0.000 0.318 200 S C 0.916 175.641 174.600 0.208 0.000 1.062 200 S CA -0.196 58.121 58.200 0.195 0.000 1.116 200 S CB 0.129 63.406 63.200 0.128 0.000 0.977 200 S HN 0.723 nan 8.310 nan 0.000 0.480 201 A N 4.113 127.036 122.820 0.172 0.000 2.239 201 A HA 0.078 4.398 4.320 -0.001 0.000 0.209 201 A C 1.868 179.510 177.584 0.096 0.000 1.171 201 A CA 1.104 53.215 52.037 0.124 0.000 0.768 201 A CB -0.697 18.356 19.000 0.087 0.000 0.790 201 A HN 0.759 nan 8.150 nan 0.000 0.478 202 T N 0.018 114.631 114.554 0.098 0.000 2.867 202 T HA -0.073 4.276 4.350 -0.001 0.000 0.268 202 T C 1.688 176.404 174.700 0.027 0.000 1.057 202 T CA 1.716 63.855 62.100 0.065 0.000 1.136 202 T CB -0.028 68.882 68.868 0.071 0.000 0.874 202 T HN 0.454 nan 8.240 nan 0.000 0.466 203 K N 0.535 120.962 120.400 0.044 0.000 2.521 203 K HA 0.218 4.538 4.320 -0.001 0.000 0.182 203 K C 1.738 178.258 176.600 -0.134 0.000 1.096 203 K CA 0.844 57.090 56.287 -0.069 0.000 1.167 203 K CB -0.860 31.656 32.500 0.027 0.000 1.596 203 K HN 0.185 nan 8.250 nan 0.000 0.467 204 Y N 0.676 121.002 120.300 0.043 0.000 2.242 204 Y HA -0.020 4.530 4.550 -0.001 0.000 0.291 204 Y C 2.062 177.972 175.900 0.017 0.000 1.137 204 Y CA 0.844 58.957 58.100 0.022 0.000 1.181 204 Y CB -0.551 37.942 38.460 0.054 0.000 0.989 204 Y HN 0.109 nan 8.280 nan 0.000 0.527 205 I N 0.167 120.843 120.570 0.177 0.000 2.072 205 I HA -0.346 3.824 4.170 -0.001 0.000 0.235 205 I C 2.650 178.806 176.117 0.065 0.000 1.058 205 I CA 1.855 63.210 61.300 0.092 0.000 1.320 205 I CB -0.513 37.501 38.000 0.023 0.000 1.047 205 I HN 0.310 nan 8.210 nan 0.000 0.397 206 N N 1.203 119.933 118.700 0.051 0.000 2.084 206 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 206 N C 1.624 177.195 175.510 0.101 0.000 1.030 206 N CA 1.783 54.866 53.050 0.056 0.000 0.849 206 N CB -0.115 38.396 38.487 0.039 0.000 1.012 206 N HN 0.497 nan 8.380 nan 0.000 0.423 207 G N 0.089 108.892 108.800 0.004 0.000 2.180 207 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.263 207 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.263 207 G C 0.423 175.125 174.900 -0.330 0.000 0.989 207 G CA 0.819 45.828 45.100 -0.151 0.000 0.692 207 G HN 0.693 nan 8.290 nan 0.000 0.526 208 H N -0.583 118.444 119.070 -0.071 0.000 2.674 208 H HA 0.296 4.852 4.556 -0.001 0.000 0.274 208 H C 1.567 176.867 175.328 -0.047 0.000 1.121 208 H CA 0.573 56.582 56.048 -0.064 0.000 1.132 208 H CB 0.591 30.315 29.762 -0.064 0.000 1.606 208 H HN 0.455 nan 8.280 nan 0.000 0.558 209 S N 1.198 116.905 115.700 0.012 0.000 3.476 209 S HA -0.178 4.292 4.470 -0.001 0.000 0.309 209 S C 0.414 175.042 174.600 0.046 0.000 1.222 209 S CA 1.328 59.535 58.200 0.011 0.000 0.922 209 S CB -1.158 62.034 63.200 -0.013 0.000 1.023 209 S HN 0.720 nan 8.310 nan 0.000 0.591 210 D N -0.551 119.891 120.400 0.069 0.000 2.571 210 D HA 0.495 5.135 4.640 -0.001 0.000 0.239 210 D C -0.108 176.248 176.300 0.093 0.000 1.267 210 D CA -0.259 53.791 54.000 0.084 0.000 0.823 210 D CB 0.412 41.267 40.800 0.093 0.000 1.056 210 D HN 0.311 nan 8.370 nan 0.000 0.494 211 V N -0.019 119.941 119.914 0.077 0.000 2.891 211 V HA 0.327 4.447 4.120 -0.001 0.000 0.304 211 V C -0.942 175.200 176.094 0.080 0.000 1.171 211 V CA -0.978 61.373 62.300 0.084 0.000 0.943 211 V CB 2.731 34.588 31.823 0.056 0.000 1.037 211 V HN -0.071 nan 8.190 nan 0.000 0.427 212 V N 5.849 125.819 119.914 0.092 0.000 2.313 212 V HA 0.648 4.768 4.120 -0.001 0.000 0.278 212 V C -0.456 175.701 176.094 0.105 0.000 1.017 212 V CA -0.274 62.083 62.300 0.094 0.000 0.823 212 V CB 1.300 33.179 31.823 0.094 0.000 1.010 212 V HN 0.673 nan 8.190 nan 0.000 0.443 213 L N 4.327 125.615 121.223 0.108 0.000 2.506 213 L HA 0.977 5.317 4.340 -0.001 0.000 0.257 213 L C -0.184 176.773 176.870 0.146 0.000 0.964 213 L CA -0.148 54.765 54.840 0.122 0.000 0.836 213 L CB 2.373 44.487 42.059 0.093 0.000 1.384 213 L HN 0.649 nan 8.230 nan 0.000 0.410 214 G N 2.348 111.265 108.800 0.195 0.000 2.481 214 G HA2 0.696 4.656 3.960 -0.001 0.000 0.315 214 G HA3 0.696 4.656 3.960 -0.001 0.000 0.315 214 G C -1.453 173.619 174.900 0.287 0.000 1.231 214 G CA -0.367 44.876 45.100 0.238 0.000 0.968 214 G HN 0.929 nan 8.290 nan 0.000 0.482 215 V N -0.300 119.784 119.914 0.284 0.000 3.012 215 V HA 0.860 4.979 4.120 -0.001 0.000 0.307 215 V C -0.448 175.835 176.094 0.315 0.000 1.166 215 V CA -1.063 61.405 62.300 0.280 0.000 0.974 215 V CB 1.452 33.361 31.823 0.144 0.000 1.040 215 V HN 1.136 nan 8.190 nan 0.000 0.428 216 L N 1.553 122.968 121.223 0.321 0.000 2.309 216 L HA 1.132 5.472 4.340 -0.001 0.000 0.261 216 L C -0.513 176.496 176.870 0.232 0.000 1.021 216 L CA -0.632 54.374 54.840 0.276 0.000 0.823 216 L CB 2.018 44.248 42.059 0.284 0.000 1.366 216 L HN 1.280 nan 8.230 nan 0.000 0.423 217 A N 0.954 123.888 122.820 0.190 0.000 2.549 217 A HA 0.867 5.187 4.320 -0.001 0.000 0.297 217 A C -0.615 177.054 177.584 0.142 0.000 1.061 217 A CA 0.022 52.152 52.037 0.155 0.000 0.690 217 A CB 1.807 20.878 19.000 0.118 0.000 1.287 217 A HN 1.091 nan 8.150 nan 0.000 0.402 218 T N -1.702 112.950 114.554 0.163 0.000 2.885 218 T HA 0.438 4.788 4.350 -0.001 0.000 0.322 218 T C -0.114 174.736 174.700 0.250 0.000 1.387 218 T CA -0.568 61.630 62.100 0.164 0.000 1.041 218 T CB 1.095 70.059 68.868 0.160 0.000 1.287 218 T HN 0.463 nan 8.240 nan 0.000 0.491 219 N N 0.140 118.956 118.700 0.194 0.000 2.356 219 N HA 0.104 4.843 4.740 -0.001 0.000 0.178 219 N C 0.464 176.137 175.510 0.273 0.000 1.075 219 N CA -0.168 53.014 53.050 0.220 0.000 0.889 219 N CB 0.178 38.720 38.487 0.092 0.000 0.999 219 N HN 0.683 nan 8.380 nan 0.000 0.464 220 N N 1.955 120.754 118.700 0.165 0.000 2.421 220 N HA -0.021 4.719 4.740 -0.001 0.000 0.260 220 N C 1.039 176.541 175.510 -0.014 0.000 1.173 220 N CA -0.137 52.964 53.050 0.085 0.000 0.960 220 N CB 0.489 39.012 38.487 0.061 0.000 1.273 220 N HN 0.097 nan 8.380 nan 0.000 0.497 221 K N 3.882 124.256 120.400 -0.044 0.000 2.152 221 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 221 K C -1.068 175.469 176.600 -0.104 0.000 1.048 221 K CA 1.214 57.361 56.287 -0.233 0.000 0.933 221 K CB -0.133 32.345 32.500 -0.036 0.000 0.721 221 K HN 0.474 nan 8.250 nan 0.000 0.447 222 P HA -0.111 nan 4.420 nan 0.000 0.218 222 P C 1.123 178.403 177.300 -0.033 0.000 1.152 222 P CA 0.672 63.752 63.100 -0.032 0.000 0.826 222 P CB 0.088 31.779 31.700 -0.016 0.000 0.790 223 L N -1.357 119.862 121.223 -0.007 0.000 2.141 223 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 223 L C 2.234 179.124 176.870 0.034 0.000 1.094 223 L CA 1.663 56.513 54.840 0.016 0.000 0.763 223 L CB -1.483 40.600 42.059 0.039 0.000 0.908 223 L HN -0.045 nan 8.230 nan 0.000 0.437 224 Y N 0.361 120.581 120.300 -0.132 0.000 2.263 224 Y HA -0.133 4.417 4.550 -0.001 0.000 0.292 224 Y C 2.236 178.084 175.900 -0.087 0.000 1.130 224 Y CA 1.913 59.921 58.100 -0.153 0.000 1.179 224 Y CB -0.168 38.006 38.460 -0.477 0.000 0.998 224 Y HN 0.369 nan 8.280 nan 0.000 0.532 225 E N -0.235 119.736 120.200 -0.383 0.000 2.152 225 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 225 E C 2.211 178.720 176.600 -0.152 0.000 0.983 225 E CA 0.628 56.809 56.400 -0.365 0.000 0.818 225 E CB 0.010 29.605 29.700 -0.176 0.000 0.758 225 E HN 0.464 nan 8.360 nan 0.000 0.467 226 R N 0.266 120.715 120.500 -0.084 0.000 2.061 226 R HA -0.099 4.240 4.340 -0.001 0.000 0.230 226 R C 2.231 178.573 176.300 0.071 0.000 1.140 226 R CA 0.785 56.879 56.100 -0.009 0.000 0.940 226 R CB -0.350 29.935 30.300 -0.025 0.000 0.839 226 R HN 0.051 nan 8.270 nan 0.000 0.429 227 L N 1.599 122.844 121.223 0.037 0.000 2.081 227 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 227 L C 2.487 179.440 176.870 0.137 0.000 1.080 227 L CA 1.800 56.703 54.840 0.103 0.000 0.754 227 L CB -0.782 41.356 42.059 0.133 0.000 0.893 227 L HN 0.311 nan 8.230 nan 0.000 0.433 228 Q N -1.827 117.955 119.800 -0.030 0.000 2.230 228 Q HA -0.231 4.109 4.340 -0.001 0.000 0.202 228 Q C 2.281 178.298 176.000 0.028 0.000 0.963 228 Q CA 1.214 56.984 55.803 -0.055 0.000 0.866 228 Q CB -0.248 28.297 28.738 -0.321 0.000 0.931 228 Q HN 0.439 nan 8.270 nan 0.000 0.452 229 F N 1.181 121.096 119.950 -0.059 0.000 2.014 229 F HA -0.224 4.302 4.527 -0.000 0.000 0.295 229 F C 1.847 177.664 175.800 0.028 0.000 1.145 229 F CA 1.703 59.690 58.000 -0.021 0.000 1.178 229 F CB -0.492 38.489 39.000 -0.031 0.000 0.972 229 F HN 0.048 nan 8.300 nan 0.000 0.476 230 L N 0.355 121.728 121.223 0.250 0.000 2.085 230 L HA -0.372 3.967 4.340 -0.001 0.000 0.218 230 L C 2.701 179.608 176.870 0.062 0.000 1.080 230 L CA 2.046 56.970 54.840 0.141 0.000 0.776 230 L CB -1.011 41.142 42.059 0.155 0.000 0.891 230 L HN 0.443 nan 8.230 nan 0.000 0.437 231 Q N 0.472 120.367 119.800 0.158 0.000 2.014 231 Q HA -0.312 4.028 4.340 -0.001 0.000 0.207 231 Q C 1.971 178.005 176.000 0.058 0.000 0.993 231 Q CA 2.558 58.506 55.803 0.243 0.000 0.850 231 Q CB -0.209 28.681 28.738 0.252 0.000 0.916 231 Q HN 0.519 nan 8.270 nan 0.000 0.417 232 N N -0.564 118.102 118.700 -0.055 0.000 2.223 232 N HA -0.144 4.595 4.740 -0.001 0.000 0.185 232 N C 1.445 176.870 175.510 -0.141 0.000 1.016 232 N CA 1.607 54.599 53.050 -0.097 0.000 0.863 232 N CB -0.162 38.236 38.487 -0.149 0.000 0.983 232 N HN 0.349 nan 8.380 nan 0.000 0.429 233 A N 0.262 122.926 122.820 -0.260 0.000 1.975 233 A HA 0.106 4.425 4.320 -0.001 0.000 0.215 233 A C 2.105 179.645 177.584 -0.074 0.000 1.170 233 A CA 0.844 52.742 52.037 -0.231 0.000 0.656 233 A CB -0.628 18.126 19.000 -0.410 0.000 0.821 233 A HN 0.554 nan 8.150 nan 0.000 0.449 234 I N -4.413 116.144 120.570 -0.022 0.000 2.852 234 I HA 0.373 4.543 4.170 -0.001 0.000 0.264 234 I C 1.482 177.627 176.117 0.046 0.000 1.179 234 I CA 0.879 62.194 61.300 0.025 0.000 1.480 234 I CB -0.213 37.814 38.000 0.045 0.000 1.111 234 I HN 0.350 nan 8.210 nan 0.000 0.441 235 G N 1.673 110.508 108.800 0.058 0.000 2.148 235 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.254 235 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.254 235 G C 0.678 175.640 174.900 0.103 0.000 0.981 235 G CA 0.177 45.321 45.100 0.074 0.000 0.670 235 G HN 0.942 nan 8.290 nan 0.000 0.528 236 A N 0.553 123.462 122.820 0.148 0.000 3.004 236 A HA 0.566 4.885 4.320 -0.001 0.000 0.252 236 A C 1.021 178.752 177.584 0.245 0.000 1.802 236 A CA 0.529 52.675 52.037 0.181 0.000 1.424 236 A CB -0.998 18.111 19.000 0.182 0.000 1.005 236 A HN 1.297 nan 8.150 nan 0.000 0.631 237 I N -1.909 118.746 120.570 0.142 0.000 2.566 237 I HA 0.577 4.746 4.170 -0.001 0.000 0.303 237 I C -2.211 173.950 176.117 0.073 0.000 0.983 237 I CA -2.708 58.639 61.300 0.079 0.000 1.235 237 I CB 1.355 39.367 38.000 0.019 0.000 1.386 237 I HN 0.100 nan 8.210 nan 0.000 0.494 238 P HA 0.119 nan 4.420 nan 0.000 0.276 238 P C -0.530 176.803 177.300 0.056 0.000 1.261 238 P CA -0.300 62.840 63.100 0.066 0.000 0.800 238 P CB 1.225 32.955 31.700 0.050 0.000 1.066 239 S N -0.037 115.713 115.700 0.083 0.000 2.646 239 S HA 0.374 4.843 4.470 -0.001 0.000 0.276 239 S C -1.779 172.882 174.600 0.101 0.000 1.222 239 S CA -1.337 56.915 58.200 0.087 0.000 1.014 239 S CB 0.675 63.948 63.200 0.121 0.000 0.991 239 S HN 0.169 nan 8.310 nan 0.000 0.533 240 P HA -0.040 nan 4.420 nan 0.000 0.216 240 P C 1.110 178.509 177.300 0.166 0.000 1.150 240 P CA 0.908 64.060 63.100 0.087 0.000 0.837 240 P CB -0.076 31.643 31.700 0.033 0.000 0.786 241 F N 0.891 120.870 119.950 0.049 0.000 2.113 241 F HA -0.157 4.369 4.527 -0.001 0.000 0.297 241 F C 1.543 177.463 175.800 0.200 0.000 1.103 241 F CA 1.662 59.725 58.000 0.105 0.000 1.248 241 F CB -0.619 38.402 39.000 0.035 0.000 0.999 241 F HN -0.190 nan 8.300 nan 0.000 0.475 242 D N 0.466 120.981 120.400 0.191 0.000 2.178 242 D HA -0.102 4.538 4.640 -0.001 0.000 0.202 242 D C 2.329 178.641 176.300 0.019 0.000 0.974 242 D CA 1.303 55.349 54.000 0.076 0.000 0.841 242 D CB -0.577 40.312 40.800 0.148 0.000 0.953 242 D HN 0.384 nan 8.370 nan 0.000 0.478 243 A N -0.007 122.852 122.820 0.064 0.000 1.873 243 A HA -0.136 4.183 4.320 -0.001 0.000 0.215 243 A C 2.147 179.769 177.584 0.063 0.000 1.186 243 A CA 1.258 53.326 52.037 0.052 0.000 0.616 243 A CB -1.225 17.812 19.000 0.061 0.000 0.823 243 A HN 0.419 nan 8.150 nan 0.000 0.442 244 W N 0.186 121.421 121.300 -0.108 0.000 2.358 244 W HA -0.142 4.518 4.660 -0.001 0.000 0.303 244 W C 1.647 178.044 176.519 -0.203 0.000 1.208 244 W CA 1.736 59.000 57.345 -0.136 0.000 1.274 244 W CB -0.300 29.050 29.460 -0.184 0.000 1.138 244 W HN 0.261 nan 8.180 nan 0.000 0.515 245 L N 0.703 121.741 121.223 -0.308 0.000 2.056 245 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 245 L C 2.474 179.116 176.870 -0.380 0.000 1.078 245 L CA 2.701 57.224 54.840 -0.528 0.000 0.749 245 L CB -1.275 40.536 42.059 -0.414 0.000 0.901 245 L HN -0.019 nan 8.230 nan 0.000 0.433 246 T N -2.232 112.205 114.554 -0.196 0.000 2.674 246 T HA -0.235 4.115 4.350 -0.001 0.000 0.265 246 T C 1.863 176.513 174.700 -0.082 0.000 1.039 246 T CA 1.446 63.488 62.100 -0.097 0.000 1.150 246 T CB -0.553 68.295 68.868 -0.033 0.000 0.864 246 T HN 0.378 nan 8.240 nan 0.000 0.427 247 H N 1.784 120.719 119.070 -0.225 0.000 2.394 247 H HA -0.046 4.510 4.556 -0.001 0.000 0.297 247 H C 2.381 177.534 175.328 -0.292 0.000 1.113 247 H CA 1.832 57.747 56.048 -0.222 0.000 1.277 247 H CB -0.301 29.327 29.762 -0.222 0.000 1.370 247 H HN 0.310 nan 8.280 nan 0.000 0.506 248 R N -0.351 119.912 120.500 -0.396 0.000 2.189 248 R HA -0.040 4.299 4.340 -0.001 0.000 0.218 248 R C 2.311 178.430 176.300 -0.302 0.000 1.074 248 R CA 1.084 56.880 56.100 -0.507 0.000 0.991 248 R CB -0.257 29.529 30.300 -0.857 0.000 0.883 248 R HN 0.386 nan 8.270 nan 0.000 0.457 249 G N 0.916 109.601 108.800 -0.191 0.000 2.492 249 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.214 249 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.214 249 G C 1.369 176.284 174.900 0.025 0.000 1.147 249 G CA 0.102 45.184 45.100 -0.030 0.000 0.809 249 G HN 0.331 nan 8.290 nan 0.000 0.533 250 L N 0.424 121.658 121.223 0.018 0.000 2.261 250 L HA 0.001 4.341 4.340 -0.001 0.000 0.216 250 L C 2.230 179.143 176.870 0.071 0.000 1.114 250 L CA 1.099 55.975 54.840 0.059 0.000 0.777 250 L CB -0.115 41.980 42.059 0.059 0.000 0.910 250 L HN 0.058 nan 8.230 nan 0.000 0.440 251 K N -0.224 120.185 120.400 0.016 0.000 2.442 251 K HA -0.055 4.265 4.320 -0.001 0.000 0.198 251 K C 1.421 178.052 176.600 0.052 0.000 1.042 251 K CA 1.521 57.818 56.287 0.017 0.000 0.958 251 K CB -0.224 32.230 32.500 -0.077 0.000 0.766 251 K HN 0.573 nan 8.250 nan 0.000 0.474 252 T N -1.980 112.566 114.554 -0.014 0.000 3.040 252 T HA 0.096 4.446 4.350 -0.001 0.000 0.266 252 T C 1.504 176.073 174.700 -0.218 0.000 1.005 252 T CA -0.391 61.609 62.100 -0.168 0.000 0.906 252 T CB 0.026 68.835 68.868 -0.099 0.000 1.082 252 T HN -0.054 nan 8.240 nan 0.000 0.531 253 L N 3.205 124.418 121.223 -0.017 0.000 2.051 253 L HA -0.225 4.115 4.340 -0.001 0.000 0.214 253 L C 2.350 179.157 176.870 -0.106 0.000 1.076 253 L CA 2.538 57.401 54.840 0.038 0.000 0.758 253 L CB -0.874 41.314 42.059 0.214 0.000 0.890 253 L HN 0.672 nan 8.230 nan 0.000 0.433 254 H N -2.598 116.410 119.070 -0.105 0.000 2.389 254 H HA -0.048 4.507 4.556 -0.001 0.000 0.299 254 H C 2.014 177.035 175.328 -0.512 0.000 1.081 254 H CA 1.483 57.178 56.048 -0.589 0.000 1.345 254 H CB -0.710 28.859 29.762 -0.322 0.000 1.393 254 H HN 0.392 nan 8.280 nan 0.000 0.520 255 L N 0.218 120.920 121.223 -0.868 0.000 2.072 255 L HA -0.025 4.314 4.340 -0.001 0.000 0.205 255 L C 2.805 179.507 176.870 -0.280 0.000 1.079 255 L CA 1.139 55.698 54.840 -0.470 0.000 0.752 255 L CB -0.364 41.448 42.059 -0.412 0.000 0.906 255 L HN 0.237 nan 8.230 nan 0.000 0.436 256 R N -0.217 120.137 120.500 -0.243 0.000 2.070 256 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 256 R C 2.237 178.491 176.300 -0.077 0.000 1.138 256 R CA 1.409 57.429 56.100 -0.133 0.000 0.936 256 R CB -0.714 29.522 30.300 -0.107 0.000 0.839 256 R HN 0.133 nan 8.270 nan 0.000 0.429 257 V N 1.229 121.101 119.914 -0.071 0.000 2.469 257 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 257 V C 2.355 178.458 176.094 0.015 0.000 1.064 257 V CA 1.799 64.107 62.300 0.013 0.000 1.066 257 V CB -0.539 31.299 31.823 0.026 0.000 0.667 257 V HN 0.229 nan 8.190 nan 0.000 0.461 258 R N 0.261 120.698 120.500 -0.105 0.000 2.092 258 R HA -0.155 4.185 4.340 -0.001 0.000 0.231 258 R C 2.255 178.571 176.300 0.026 0.000 1.119 258 R CA 1.746 57.844 56.100 -0.003 0.000 0.970 258 R CB -0.419 29.822 30.300 -0.098 0.000 0.864 258 R HN 0.534 nan 8.270 nan 0.000 0.440 259 Q N -0.418 119.373 119.800 -0.015 0.000 2.062 259 Q HA 0.125 4.465 4.340 -0.001 0.000 0.196 259 Q C 1.850 177.863 176.000 0.023 0.000 0.967 259 Q CA 1.933 57.734 55.803 -0.003 0.000 0.832 259 Q CB -0.389 28.327 28.738 -0.036 0.000 0.899 259 Q HN 0.334 nan 8.270 nan 0.000 0.442 260 A N 0.378 123.218 122.820 0.033 0.000 1.978 260 A HA -0.078 4.241 4.320 -0.001 0.000 0.220 260 A C 2.213 179.860 177.584 0.104 0.000 1.170 260 A CA 1.894 53.969 52.037 0.065 0.000 0.636 260 A CB -1.037 18.028 19.000 0.109 0.000 0.810 260 A HN 0.516 nan 8.150 nan 0.000 0.448 261 A N -0.012 122.882 122.820 0.124 0.000 1.854 261 A HA 0.061 4.381 4.320 -0.001 0.000 0.214 261 A C 2.124 179.806 177.584 0.164 0.000 1.192 261 A CA 1.256 53.403 52.037 0.183 0.000 0.611 261 A CB -0.643 18.462 19.000 0.175 0.000 0.832 261 A HN 0.455 nan 8.150 nan 0.000 0.442 262 L N -0.281 121.011 121.223 0.114 0.000 2.013 262 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 262 L C 2.828 179.731 176.870 0.056 0.000 1.073 262 L CA 1.748 56.642 54.840 0.090 0.000 0.753 262 L CB -1.018 41.078 42.059 0.063 0.000 0.890 262 L HN 0.322 nan 8.230 nan 0.000 0.432 263 S N 0.087 115.809 115.700 0.036 0.000 2.353 263 S HA -0.205 4.265 4.470 -0.001 0.000 0.222 263 S C 2.211 176.796 174.600 -0.025 0.000 1.035 263 S CA 1.444 59.650 58.200 0.011 0.000 1.025 263 S CB -0.368 62.838 63.200 0.011 0.000 0.902 263 S HN 0.520 nan 8.310 nan 0.000 0.440 264 A N 2.232 125.024 122.820 -0.045 0.000 1.972 264 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 264 A C 1.986 179.225 177.584 -0.575 0.000 1.169 264 A CA 1.638 53.532 52.037 -0.239 0.000 0.635 264 A CB -0.752 18.146 19.000 -0.171 0.000 0.810 264 A HN 0.588 nan 8.150 nan 0.000 0.446 265 N N 0.040 118.562 118.700 -0.296 0.000 2.080 265 N HA -0.144 4.596 4.740 -0.001 0.000 0.189 265 N C 1.588 177.057 175.510 -0.067 0.000 1.036 265 N CA 1.569 54.557 53.050 -0.103 0.000 0.846 265 N CB -0.272 38.367 38.487 0.254 0.000 1.015 265 N HN 0.486 nan 8.380 nan 0.000 0.423 266 K N 0.207 120.594 120.400 -0.022 0.000 2.360 266 K HA 0.010 4.329 4.320 -0.001 0.000 0.201 266 K C 1.939 178.537 176.600 -0.002 0.000 1.046 266 K CA 0.578 56.868 56.287 0.005 0.000 0.945 266 K CB 0.135 32.642 32.500 0.011 0.000 0.750 266 K HN 0.328 nan 8.250 nan 0.000 0.464 267 I N -0.170 120.364 120.570 -0.061 0.000 2.703 267 I HA -0.108 4.062 4.170 -0.001 0.000 0.259 267 I C 2.252 178.345 176.117 -0.040 0.000 1.151 267 I CA 0.311 61.584 61.300 -0.044 0.000 1.470 267 I CB -0.029 37.930 38.000 -0.068 0.000 1.112 267 I HN 0.062 nan 8.210 nan 0.000 0.437 268 A N 0.896 123.623 122.820 -0.154 0.000 1.898 268 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 268 A C 2.145 179.723 177.584 -0.010 0.000 1.181 268 A CA 1.414 53.381 52.037 -0.116 0.000 0.620 268 A CB -0.500 18.388 19.000 -0.187 0.000 0.819 268 A HN 0.402 nan 8.150 nan 0.000 0.442 269 E N -1.164 119.049 120.200 0.022 0.000 2.118 269 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 269 E C 1.786 178.403 176.600 0.028 0.000 0.992 269 E CA 1.406 57.828 56.400 0.036 0.000 0.804 269 E CB -0.360 29.371 29.700 0.052 0.000 0.741 269 E HN 0.718 nan 8.360 nan 0.000 0.458 270 F N 1.623 121.530 119.950 -0.072 0.000 2.102 270 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 270 F C 1.925 177.665 175.800 -0.101 0.000 1.105 270 F CA 1.276 59.230 58.000 -0.077 0.000 1.239 270 F CB -0.101 38.849 39.000 -0.084 0.000 0.991 270 F HN -0.125 nan 8.300 nan 0.000 0.474 271 L N -0.032 121.108 121.223 -0.140 0.000 2.551 271 L HA 0.043 4.382 4.340 -0.001 0.000 0.228 271 L C 1.569 178.306 176.870 -0.221 0.000 1.153 271 L CA 0.604 55.269 54.840 -0.292 0.000 0.851 271 L CB -0.724 41.147 42.059 -0.313 0.000 0.959 271 L HN 0.266 nan 8.230 nan 0.000 0.451 272 A N -0.576 122.153 122.820 -0.151 0.000 2.827 272 A HA 0.678 4.998 4.320 -0.001 0.000 0.300 272 A C 1.026 178.545 177.584 -0.109 0.000 1.237 272 A CA 0.526 52.511 52.037 -0.087 0.000 0.964 272 A CB -0.026 18.963 19.000 -0.018 0.000 1.143 272 A HN 0.228 nan 8.150 nan 0.000 0.554 273 A N -0.811 121.896 122.820 -0.189 0.000 2.709 273 A HA 0.209 4.528 4.320 -0.001 0.000 0.212 273 A C 0.363 177.811 177.584 -0.227 0.000 1.280 273 A CA 0.370 52.306 52.037 -0.169 0.000 1.034 273 A CB 0.177 19.088 19.000 -0.149 0.000 1.255 273 A HN 0.278 nan 8.150 nan 0.000 0.547 274 D N 1.355 121.569 120.400 -0.309 0.000 3.168 274 D HA 0.279 4.919 4.640 -0.001 0.000 0.255 274 D C 1.523 177.723 176.300 -0.167 0.000 1.314 274 D CA 0.675 54.492 54.000 -0.306 0.000 0.900 274 D CB 0.317 40.836 40.800 -0.469 0.000 1.072 274 D HN 0.339 nan 8.370 nan 0.000 0.487 275 K N 1.127 121.456 120.400 -0.119 0.000 2.207 275 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 275 K C 1.610 178.174 176.600 -0.059 0.000 1.046 275 K CA 1.356 57.598 56.287 -0.074 0.000 0.929 275 K CB -0.436 32.030 32.500 -0.057 0.000 0.720 275 K HN 0.323 nan 8.250 nan 0.000 0.463 276 E N 0.639 120.800 120.200 -0.065 0.000 1.993 276 E HA -0.110 4.240 4.350 -0.001 0.000 0.198 276 E C 1.842 178.424 176.600 -0.031 0.000 0.999 276 E CA 1.511 57.885 56.400 -0.043 0.000 0.850 276 E CB -0.520 29.157 29.700 -0.038 0.000 0.796 276 E HN 0.793 nan 8.360 nan 0.000 0.482 277 N N 0.262 118.944 118.700 -0.030 0.000 2.463 277 N HA -0.009 4.731 4.740 -0.001 0.000 0.181 277 N C -0.254 175.264 175.510 0.013 0.000 1.078 277 N CA -0.046 53.003 53.050 -0.001 0.000 0.902 277 N CB 0.854 39.355 38.487 0.024 0.000 0.970 277 N HN -0.096 nan 8.380 nan 0.000 0.451 278 V N 1.786 121.693 119.914 -0.012 0.000 2.334 278 V HA 0.114 4.233 4.120 -0.001 0.000 0.281 278 V C 1.258 177.368 176.094 0.027 0.000 1.016 278 V CA -0.321 61.999 62.300 0.034 0.000 0.832 278 V CB 1.611 33.416 31.823 -0.029 0.000 0.999 278 V HN -0.133 nan 8.190 nan 0.000 0.439 279 V N 3.816 123.756 119.914 0.043 0.000 2.232 279 V HA 0.018 4.138 4.120 -0.001 0.000 0.237 279 V C 1.205 177.326 176.094 0.044 0.000 1.035 279 V CA 2.011 64.323 62.300 0.020 0.000 0.988 279 V CB -0.300 31.521 31.823 -0.004 0.000 0.636 279 V HN 0.910 nan 8.190 nan 0.000 0.456 280 A N -0.779 122.090 122.820 0.081 0.000 2.322 280 A HA 0.741 5.060 4.320 -0.001 0.000 0.327 280 A C -1.115 176.566 177.584 0.162 0.000 1.134 280 A CA -0.407 51.693 52.037 0.104 0.000 0.831 280 A CB 1.866 20.937 19.000 0.117 0.000 1.288 280 A HN 0.229 nan 8.150 nan 0.000 0.472 281 V N 1.683 121.691 119.914 0.156 0.000 2.733 281 V HA 0.386 4.505 4.120 -0.001 0.000 0.306 281 V C -1.265 174.955 176.094 0.211 0.000 1.084 281 V CA -1.004 61.416 62.300 0.200 0.000 0.905 281 V CB 2.213 34.110 31.823 0.123 0.000 1.010 281 V HN 0.877 nan 8.190 nan 0.000 0.424 282 N N 3.632 122.487 118.700 0.257 0.000 2.443 282 N HA 0.547 5.287 4.740 -0.001 0.000 0.269 282 N C -1.608 174.128 175.510 0.377 0.000 0.985 282 N CA -0.362 52.865 53.050 0.295 0.000 0.921 282 N CB 2.220 40.858 38.487 0.251 0.000 1.195 282 N HN 0.754 nan 8.380 nan 0.000 0.492 283 Y N 2.864 123.284 120.300 0.200 0.000 2.287 283 Y HA 0.312 4.862 4.550 -0.000 0.000 0.321 283 Y C -2.324 173.547 175.900 -0.049 0.000 1.173 283 Y CA -1.746 56.411 58.100 0.096 0.000 1.124 283 Y CB 1.875 40.394 38.460 0.098 0.000 1.201 283 Y HN 0.318 nan 8.280 nan 0.000 0.421 284 P HA -0.024 nan 4.420 nan 0.000 0.229 284 P C 1.111 178.057 177.300 -0.590 0.000 1.150 284 P CA 1.869 64.358 63.100 -1.019 0.000 0.765 284 P CB 0.287 31.562 31.700 -0.708 0.000 0.783 285 G N -1.564 106.824 108.800 -0.687 0.000 3.088 285 G HA2 0.092 4.052 3.960 -0.001 0.000 0.217 285 G HA3 0.092 4.052 3.960 -0.001 0.000 0.217 285 G C 0.242 175.246 174.900 0.173 0.000 1.159 285 G CA -0.138 44.850 45.100 -0.187 0.000 0.760 285 G HN 0.207 nan 8.290 nan 0.000 0.550 286 L N 1.045 122.362 121.223 0.157 0.000 2.260 286 L HA 0.245 4.585 4.340 -0.001 0.000 0.289 286 L C 1.220 178.011 176.870 -0.131 0.000 1.057 286 L CA -0.538 54.359 54.840 0.096 0.000 0.811 286 L CB 1.499 43.659 42.059 0.169 0.000 1.184 286 L HN 0.077 nan 8.230 nan 0.000 0.429 287 K N 0.586 120.651 120.400 -0.559 0.000 2.374 287 K HA -0.183 4.137 4.320 -0.001 0.000 0.202 287 K C 1.545 177.872 176.600 -0.455 0.000 1.044 287 K CA 1.799 57.397 56.287 -1.148 0.000 0.933 287 K CB -0.206 31.861 32.500 -0.723 0.000 0.745 287 K HN 0.780 nan 8.250 nan 0.000 0.474 288 T N -2.762 111.693 114.554 -0.165 0.000 3.169 288 T HA -0.033 4.316 4.350 -0.001 0.000 0.250 288 T C 0.296 175.034 174.700 0.064 0.000 1.111 288 T CA -0.275 61.804 62.100 -0.035 0.000 1.010 288 T CB -0.330 68.528 68.868 -0.017 0.000 0.984 288 T HN 0.166 nan 8.240 nan 0.000 0.537 289 H N 2.407 121.504 119.070 0.046 0.000 2.803 289 H HA 0.246 4.802 4.556 -0.001 0.000 0.330 289 H C -1.616 173.761 175.328 0.082 0.000 1.057 289 H CA -1.611 54.492 56.048 0.091 0.000 1.458 289 H CB 1.002 30.846 29.762 0.137 0.000 1.470 289 H HN -0.100 nan 8.280 nan 0.000 0.560 290 P HA -0.236 nan 4.420 nan 0.000 0.219 290 P C -0.112 177.135 177.300 -0.088 0.000 1.151 290 P CA 1.693 64.660 63.100 -0.221 0.000 0.850 290 P CB 0.253 31.765 31.700 -0.312 0.000 0.784 291 N N -3.210 115.486 118.700 -0.007 0.000 2.351 291 N HA 0.049 4.788 4.740 -0.001 0.000 0.254 291 N C 0.752 176.320 175.510 0.096 0.000 1.241 291 N CA -0.293 52.799 53.050 0.070 0.000 0.883 291 N CB -0.175 38.343 38.487 0.051 0.000 1.202 291 N HN 0.152 nan 8.380 nan 0.000 0.512 292 Y N 3.212 123.556 120.300 0.074 0.000 2.283 292 Y HA -0.299 4.251 4.550 -0.001 0.000 0.285 292 Y C 2.125 177.992 175.900 -0.055 0.000 1.176 292 Y CA 1.902 60.002 58.100 -0.000 0.000 1.229 292 Y CB 0.054 38.523 38.460 0.015 0.000 0.975 292 Y HN 0.225 nan 8.280 nan 0.000 0.537 293 D N -1.445 118.939 120.400 -0.028 0.000 2.144 293 D HA -0.151 4.488 4.640 -0.001 0.000 0.200 293 D C 2.004 178.212 176.300 -0.153 0.000 0.978 293 D CA 1.701 55.665 54.000 -0.060 0.000 0.833 293 D CB -0.827 39.975 40.800 0.003 0.000 0.961 293 D HN 0.335 nan 8.370 nan 0.000 0.470 294 V N 0.980 120.794 119.914 -0.167 0.000 2.379 294 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 294 V C 2.997 178.891 176.094 -0.333 0.000 1.044 294 V CA 0.905 63.089 62.300 -0.193 0.000 1.036 294 V CB -0.324 31.409 31.823 -0.149 0.000 0.664 294 V HN 0.078 nan 8.190 nan 0.000 0.453 295 V N 0.201 119.799 119.914 -0.526 0.000 2.231 295 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 295 V C 2.322 178.047 176.094 -0.616 0.000 1.054 295 V CA 2.301 64.064 62.300 -0.895 0.000 1.015 295 V CB -0.598 30.580 31.823 -1.075 0.000 0.638 295 V HN 0.469 nan 8.190 nan 0.000 0.444 296 L N 0.076 120.948 121.223 -0.586 0.000 2.447 296 L HA -0.192 4.148 4.340 -0.001 0.000 0.225 296 L C 2.263 179.046 176.870 -0.146 0.000 1.148 296 L CA 1.670 56.312 54.840 -0.330 0.000 0.808 296 L CB -0.501 41.403 42.059 -0.258 0.000 0.928 296 L HN 0.564 nan 8.230 nan 0.000 0.448 297 K N -2.004 118.316 120.400 -0.132 0.000 2.391 297 K HA 0.082 4.401 4.320 -0.001 0.000 0.197 297 K C 1.652 178.275 176.600 0.038 0.000 1.087 297 K CA -0.023 56.265 56.287 0.002 0.000 1.012 297 K CB 0.230 32.749 32.500 0.031 0.000 0.925 297 K HN 0.148 nan 8.250 nan 0.000 0.547 298 Q N 0.112 119.817 119.800 -0.159 0.000 2.391 298 Q HA 0.172 4.512 4.340 -0.001 0.000 0.243 298 Q C -0.220 175.738 176.000 -0.070 0.000 0.874 298 Q CA 0.006 55.585 55.803 -0.373 0.000 0.950 298 Q CB 0.711 29.093 28.738 -0.593 0.000 1.103 298 Q HN 0.395 nan 8.270 nan 0.000 0.544 299 H N 1.062 119.991 119.070 -0.235 0.000 2.562 299 H HA 0.216 4.771 4.556 -0.001 0.000 0.314 299 H C -0.221 175.007 175.328 -0.168 0.000 1.079 299 H CA -0.602 55.322 56.048 -0.208 0.000 1.349 299 H CB 0.979 30.600 29.762 -0.235 0.000 1.432 299 H HN 0.029 nan 8.280 nan 0.000 0.479 300 R N 3.016 123.445 120.500 -0.117 0.000 2.538 300 R HA -0.132 4.208 4.340 -0.001 0.000 0.282 300 R C -0.199 176.038 176.300 -0.105 0.000 1.009 300 R CA 0.144 56.145 56.100 -0.166 0.000 1.063 300 R CB 0.120 30.184 30.300 -0.393 0.000 0.945 300 R HN 0.800 nan 8.270 nan 0.000 0.414 301 D N 2.716 123.079 120.400 -0.061 0.000 3.061 301 D HA -0.311 4.329 4.640 -0.001 0.000 0.220 301 D C 0.330 176.635 176.300 0.008 0.000 1.184 301 D CA 1.471 55.462 54.000 -0.015 0.000 0.922 301 D CB -0.832 39.966 40.800 -0.003 0.000 1.119 301 D HN 0.865 nan 8.370 nan 0.000 0.400 302 A N -1.277 121.536 122.820 -0.012 0.000 2.996 302 A HA -0.257 4.062 4.320 -0.001 0.000 0.257 302 A C 0.544 178.138 177.584 0.017 0.000 1.394 302 A CA 0.904 52.920 52.037 -0.035 0.000 0.820 302 A CB -2.036 16.960 19.000 -0.007 0.000 1.054 302 A HN 0.439 nan 8.150 nan 0.000 0.619 303 L N -0.757 120.490 121.223 0.040 0.000 2.455 303 L HA 0.366 4.706 4.340 -0.001 0.000 0.272 303 L C 1.764 178.671 176.870 0.061 0.000 1.174 303 L CA 0.476 55.355 54.840 0.065 0.000 0.869 303 L CB 0.789 42.875 42.059 0.045 0.000 1.130 303 L HN 0.524 nan 8.230 nan 0.000 0.474 304 G N 1.678 110.452 108.800 -0.044 0.000 2.623 304 G HA2 0.391 4.351 3.960 -0.001 0.000 0.214 304 G HA3 0.391 4.351 3.960 -0.001 0.000 0.214 304 G C 0.717 175.505 174.900 -0.187 0.000 1.138 304 G CA 0.631 45.460 45.100 -0.452 0.000 0.794 304 G HN 1.013 nan 8.290 nan 0.000 0.535 305 G N -1.635 107.230 108.800 0.108 0.000 2.384 305 G HA2 0.332 4.292 3.960 -0.001 0.000 0.204 305 G HA3 0.332 4.292 3.960 -0.001 0.000 0.204 305 G C 0.607 175.692 174.900 0.309 0.000 1.237 305 G CA -0.032 45.147 45.100 0.133 0.000 1.060 305 G HN 1.002 nan 8.290 nan 0.000 0.514 306 G N -0.787 108.172 108.800 0.265 0.000 3.228 306 G HA2 0.477 4.436 3.960 -0.001 0.000 0.245 306 G HA3 0.477 4.436 3.960 -0.001 0.000 0.245 306 G C 0.568 175.623 174.900 0.259 0.000 1.051 306 G CA 0.383 45.650 45.100 0.278 0.000 0.809 306 G HN 0.509 nan 8.290 nan 0.000 0.531 307 M N 1.511 121.281 119.600 0.283 0.000 2.129 307 M HA 0.548 5.027 4.480 -0.001 0.000 0.348 307 M C -0.661 175.839 176.300 0.334 0.000 1.116 307 M CA -0.574 54.868 55.300 0.238 0.000 1.022 307 M CB 1.378 34.073 32.600 0.159 0.000 1.599 307 M HN -0.130 nan 8.290 nan 0.000 0.449 308 I N 0.712 121.440 120.570 0.262 0.000 3.023 308 I HA 0.629 4.799 4.170 -0.001 0.000 0.312 308 I C 0.112 176.395 176.117 0.276 0.000 1.056 308 I CA -0.637 60.824 61.300 0.269 0.000 1.033 308 I CB 2.347 40.404 38.000 0.094 0.000 1.233 308 I HN 0.683 nan 8.210 nan 0.000 0.462 309 S N 3.035 118.915 115.700 0.300 0.000 2.543 309 S HA 0.766 5.236 4.470 -0.001 0.000 0.271 309 S C -1.300 173.492 174.600 0.319 0.000 1.148 309 S CA -0.509 57.845 58.200 0.257 0.000 0.914 309 S CB 1.079 64.401 63.200 0.203 0.000 1.096 309 S HN 0.510 nan 8.310 nan 0.000 0.471 310 F N 2.261 122.222 119.950 0.018 0.000 2.741 310 F HA 0.775 5.301 4.527 -0.001 0.000 0.311 310 F C -1.346 174.433 175.800 -0.036 0.000 1.149 310 F CA -1.185 56.810 58.000 -0.009 0.000 0.930 310 F CB 1.059 40.026 39.000 -0.054 0.000 1.312 310 F HN 0.644 nan 8.300 nan 0.000 0.450 311 R N 3.028 123.446 120.500 -0.137 0.000 2.534 311 R HA 0.776 5.115 4.340 -0.001 0.000 0.301 311 R C -1.005 175.227 176.300 -0.113 0.000 0.961 311 R CA -0.827 55.136 56.100 -0.229 0.000 0.871 311 R CB 2.123 32.397 30.300 -0.044 0.000 1.170 311 R HN 0.879 nan 8.270 nan 0.000 0.446 312 I N -0.569 119.883 120.570 -0.196 0.000 2.713 312 I HA 0.349 4.519 4.170 -0.001 0.000 0.300 312 I C 1.131 177.230 176.117 -0.029 0.000 1.009 312 I CA -0.980 60.301 61.300 -0.033 0.000 1.305 312 I CB 0.959 38.932 38.000 -0.046 0.000 1.430 312 I HN 0.781 nan 8.210 nan 0.000 0.546 313 K N 3.520 123.921 120.400 0.001 0.000 3.187 313 K HA 0.367 4.687 4.320 -0.001 0.000 0.274 313 K C 0.364 176.951 176.600 -0.022 0.000 0.790 313 K CA 0.764 57.043 56.287 -0.014 0.000 1.041 313 K CB -1.563 30.934 32.500 -0.005 0.000 0.976 313 K HN 1.009 nan 8.250 nan 0.000 0.438 314 G N -1.711 107.067 108.800 -0.036 0.000 2.933 314 G HA2 0.684 4.644 3.960 -0.001 0.000 0.203 314 G HA3 0.684 4.644 3.960 -0.001 0.000 0.203 314 G C -0.060 174.805 174.900 -0.058 0.000 1.170 314 G CA 0.124 45.202 45.100 -0.037 0.000 0.880 314 G HN 0.929 nan 8.290 nan 0.000 0.573 315 G N -2.411 106.360 108.800 -0.049 0.000 2.694 315 G HA2 0.632 4.592 3.960 -0.001 0.000 0.290 315 G HA3 0.632 4.592 3.960 -0.001 0.000 0.290 315 G C 1.043 175.918 174.900 -0.042 0.000 1.386 315 G CA 0.801 45.867 45.100 -0.058 0.000 0.872 315 G HN 1.673 nan 8.290 nan 0.000 0.475 316 A N -0.126 122.669 122.820 -0.042 0.000 1.936 316 A HA -0.314 4.005 4.320 -0.001 0.000 0.260 316 A C 2.089 179.666 177.584 -0.011 0.000 2.436 316 A CA 2.933 54.955 52.037 -0.026 0.000 0.777 316 A CB -0.720 18.268 19.000 -0.020 0.000 0.823 316 A HN 0.659 nan 8.150 nan 0.000 0.576 317 E N -0.869 119.328 120.200 -0.006 0.000 2.006 317 E HA -0.050 4.300 4.350 -0.001 0.000 0.192 317 E C 2.497 179.111 176.600 0.023 0.000 0.993 317 E CA 1.240 57.646 56.400 0.009 0.000 0.808 317 E CB -1.189 28.515 29.700 0.007 0.000 0.764 317 E HN 0.772 nan 8.360 nan 0.000 0.449 318 A N 1.878 124.710 122.820 0.019 0.000 1.985 318 A HA -0.269 4.051 4.320 -0.001 0.000 0.223 318 A C 2.406 180.029 177.584 0.064 0.000 1.189 318 A CA 2.933 54.995 52.037 0.041 0.000 0.658 318 A CB -0.752 18.258 19.000 0.016 0.000 0.820 318 A HN 0.315 nan 8.150 nan 0.000 0.464 319 A N -1.674 121.155 122.820 0.014 0.000 1.843 319 A HA 0.018 4.338 4.320 -0.001 0.000 0.213 319 A C 2.448 180.082 177.584 0.084 0.000 1.202 319 A CA 1.844 53.886 52.037 0.008 0.000 0.607 319 A CB -1.117 17.840 19.000 -0.072 0.000 0.847 319 A HN 0.529 nan 8.150 nan 0.000 0.445 320 S N -0.489 115.241 115.700 0.049 0.000 2.387 320 S HA -0.231 4.239 4.470 -0.001 0.000 0.230 320 S C 2.110 176.754 174.600 0.073 0.000 1.035 320 S CA 2.209 60.441 58.200 0.054 0.000 1.014 320 S CB -0.322 62.897 63.200 0.030 0.000 0.836 320 S HN 0.534 nan 8.310 nan 0.000 0.466 321 K N 0.764 121.213 120.400 0.082 0.000 1.973 321 K HA -0.089 4.231 4.320 -0.001 0.000 0.212 321 K C 1.708 178.376 176.600 0.114 0.000 1.047 321 K CA 1.956 58.294 56.287 0.084 0.000 0.937 321 K CB -1.037 31.514 32.500 0.085 0.000 0.721 321 K HN 0.354 nan 8.250 nan 0.000 0.440 322 F N 1.129 121.089 119.950 0.017 0.000 2.063 322 F HA -0.263 4.263 4.527 -0.001 0.000 0.298 322 F C 1.884 177.699 175.800 0.024 0.000 1.109 322 F CA 2.230 60.248 58.000 0.030 0.000 1.212 322 F CB -0.859 38.170 39.000 0.048 0.000 0.973 322 F HN 0.160 nan 8.300 nan 0.000 0.480 323 A N -1.380 121.568 122.820 0.213 0.000 2.245 323 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 323 A C 2.070 179.655 177.584 0.002 0.000 1.171 323 A CA 2.067 54.167 52.037 0.105 0.000 0.688 323 A CB -0.756 18.317 19.000 0.123 0.000 0.781 323 A HN 0.488 nan 8.150 nan 0.000 0.479 324 S N -1.961 113.723 115.700 -0.026 0.000 2.670 324 S HA 0.041 4.510 4.470 -0.001 0.000 0.241 324 S C 1.787 176.349 174.600 -0.063 0.000 1.077 324 S CA 0.455 58.638 58.200 -0.030 0.000 0.899 324 S CB 0.266 63.465 63.200 -0.002 0.000 0.835 324 S HN 0.539 nan 8.310 nan 0.000 0.481 325 S N 2.568 118.213 115.700 -0.092 0.000 2.469 325 S HA -0.036 4.433 4.470 -0.001 0.000 0.238 325 S C 1.111 175.627 174.600 -0.141 0.000 0.998 325 S CA 0.822 58.964 58.200 -0.097 0.000 0.957 325 S CB -0.587 62.565 63.200 -0.081 0.000 0.764 325 S HN 0.782 nan 8.310 nan 0.000 0.514 326 T N 0.462 114.885 114.554 -0.217 0.000 2.916 326 T HA 0.304 4.654 4.350 -0.001 0.000 0.303 326 T C 0.712 175.379 174.700 -0.055 0.000 1.025 326 T CA -0.544 61.446 62.100 -0.182 0.000 1.142 326 T CB 1.503 70.243 68.868 -0.212 0.000 0.947 326 T HN 0.250 nan 8.240 nan 0.000 0.544 327 R N 1.962 122.450 120.500 -0.020 0.000 2.087 327 R HA 0.234 4.573 4.340 -0.001 0.000 0.216 327 R C 1.972 178.275 176.300 0.005 0.000 1.114 327 R CA 0.206 56.301 56.100 -0.008 0.000 1.002 327 R CB -0.110 30.181 30.300 -0.014 0.000 0.903 327 R HN 0.738 nan 8.270 nan 0.000 0.445 328 L N 0.178 121.420 121.223 0.032 0.000 2.162 328 L HA 0.139 4.478 4.340 -0.001 0.000 0.205 328 L C 0.310 177.130 176.870 -0.084 0.000 1.086 328 L CA 0.204 55.025 54.840 -0.032 0.000 0.778 328 L CB -0.131 41.893 42.059 -0.059 0.000 0.928 328 L HN 0.016 nan 8.230 nan 0.000 0.446 329 F N 0.108 120.019 119.950 -0.065 0.000 2.418 329 F HA 0.172 4.698 4.527 -0.001 0.000 0.341 329 F C 0.649 176.423 175.800 -0.044 0.000 1.120 329 F CA -0.065 57.909 58.000 -0.044 0.000 1.232 329 F CB 0.812 39.795 39.000 -0.030 0.000 1.175 329 F HN -0.281 nan 8.300 nan 0.000 0.569 330 T N 4.219 118.839 114.554 0.111 0.000 2.786 330 T HA 0.319 4.668 4.350 -0.001 0.000 0.283 330 T C -0.779 173.965 174.700 0.074 0.000 0.992 330 T CA -0.553 61.583 62.100 0.059 0.000 0.954 330 T CB 0.973 69.846 68.868 0.008 0.000 0.934 330 T HN 0.354 nan 8.240 nan 0.000 0.440 331 L N 4.476 125.735 121.223 0.059 0.000 2.500 331 L HA 0.561 4.901 4.340 -0.001 0.000 0.272 331 L C 0.134 177.029 176.870 0.042 0.000 1.149 331 L CA 0.819 55.693 54.840 0.057 0.000 0.897 331 L CB -1.068 41.016 42.059 0.041 0.000 1.178 331 L HN 0.910 nan 8.230 nan 0.000 0.473 332 A N 4.177 127.025 122.820 0.047 0.000 2.457 332 A HA 0.660 4.979 4.320 -0.001 0.000 0.305 332 A C -0.907 176.699 177.584 0.037 0.000 1.110 332 A CA -0.723 51.334 52.037 0.034 0.000 0.616 332 A CB 0.570 19.586 19.000 0.027 0.000 1.371 332 A HN 0.497 nan 8.150 nan 0.000 0.525 333 E N 0.071 120.291 120.200 0.033 0.000 2.601 333 E HA 0.670 5.020 4.350 -0.001 0.000 0.250 333 E C 0.428 177.059 176.600 0.052 0.000 1.099 333 E CA 0.446 56.870 56.400 0.040 0.000 0.968 333 E CB 1.431 31.152 29.700 0.036 0.000 1.290 333 E HN 1.297 nan 8.360 nan 0.000 0.505 334 S N -1.602 114.149 115.700 0.085 0.000 3.697 334 S HA -0.183 4.286 4.470 -0.001 0.000 0.638 334 S C -0.755 173.861 174.600 0.026 0.000 2.176 334 S CA 0.973 59.222 58.200 0.083 0.000 2.349 334 S CB -0.774 62.453 63.200 0.045 0.000 0.329 334 S HN 0.643 nan 8.310 nan 0.000 1.794 335 L N -3.475 117.719 121.223 -0.048 0.000 3.140 335 L HA 0.722 5.062 4.340 -0.001 0.000 0.297 335 L C 1.103 177.783 176.870 -0.317 0.000 0.958 335 L CA 0.041 54.792 54.840 -0.148 0.000 1.030 335 L CB 0.187 42.136 42.059 -0.184 0.000 1.612 335 L HN 2.307 nan 8.230 nan 0.000 0.363 336 G N -1.006 107.472 108.800 -0.537 0.000 2.205 336 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.269 336 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.269 336 G C 0.582 175.058 174.900 -0.707 0.000 0.977 336 G CA 0.754 45.125 45.100 -1.215 0.000 0.652 336 G HN 1.531 nan 8.290 nan 0.000 0.539 337 G N -0.924 107.645 108.800 -0.386 0.000 2.606 337 G HA2 0.470 4.430 3.960 -0.001 0.000 0.252 337 G HA3 0.470 4.430 3.960 -0.001 0.000 0.252 337 G C 1.197 175.934 174.900 -0.272 0.000 1.206 337 G CA -0.042 44.892 45.100 -0.276 0.000 0.861 337 G HN 0.643 nan 8.290 nan 0.000 0.561 338 I N -0.701 119.704 120.570 -0.274 0.000 2.493 338 I HA -0.017 4.153 4.170 -0.001 0.000 0.254 338 I C 0.814 176.815 176.117 -0.194 0.000 1.160 338 I CA 0.789 61.929 61.300 -0.268 0.000 1.445 338 I CB -0.005 37.780 38.000 -0.358 0.000 1.086 338 I HN 0.536 nan 8.210 nan 0.000 0.433 339 E N 1.271 121.366 120.200 -0.174 0.000 2.179 339 E HA 0.233 4.582 4.350 -0.001 0.000 0.275 339 E C -0.584 175.900 176.600 -0.193 0.000 0.945 339 E CA -0.617 55.682 56.400 -0.170 0.000 0.792 339 E CB 1.295 30.919 29.700 -0.127 0.000 1.125 339 E HN -0.028 nan 8.360 nan 0.000 0.397 340 S N 2.697 118.222 115.700 -0.291 0.000 2.561 340 S HA 0.151 4.621 4.470 -0.001 0.000 0.294 340 S C 0.265 174.769 174.600 -0.159 0.000 1.294 340 S CA 0.072 58.039 58.200 -0.388 0.000 1.055 340 S CB -0.002 62.548 63.200 -1.084 0.000 0.819 340 S HN 0.411 nan 8.310 nan 0.000 0.503 341 L N 2.704 123.955 121.223 0.047 0.000 2.415 341 L HA 0.745 5.084 4.340 -0.001 0.000 0.256 341 L C -0.818 176.225 176.870 0.289 0.000 1.010 341 L CA -0.928 53.996 54.840 0.140 0.000 0.826 341 L CB 1.768 43.857 42.059 0.050 0.000 1.405 341 L HN 0.616 nan 8.230 nan 0.000 0.410 342 L N -0.173 121.187 121.223 0.228 0.000 2.472 342 L HA 0.793 5.132 4.340 -0.001 0.000 0.260 342 L C -1.479 175.479 176.870 0.146 0.000 0.963 342 L CA -0.273 54.700 54.840 0.220 0.000 0.829 342 L CB 2.618 44.829 42.059 0.252 0.000 1.348 342 L HN 0.744 nan 8.230 nan 0.000 0.408 343 E N 2.276 122.553 120.200 0.128 0.000 2.433 343 E HA 0.497 4.847 4.350 -0.001 0.000 0.278 343 E C -1.946 174.696 176.600 0.070 0.000 0.976 343 E CA -0.668 55.784 56.400 0.087 0.000 0.793 343 E CB 3.133 32.874 29.700 0.069 0.000 1.311 343 E HN 0.574 nan 8.360 nan 0.000 0.460 344 V N 4.702 124.645 119.914 0.048 0.000 2.250 344 V HA 0.210 4.329 4.120 -0.001 0.000 0.268 344 V C -1.473 174.647 176.094 0.043 0.000 1.043 344 V CA -1.347 60.972 62.300 0.032 0.000 0.814 344 V CB 0.880 32.716 31.823 0.022 0.000 1.072 344 V HN 0.567 nan 8.190 nan 0.000 0.451 345 P HA -0.359 nan 4.420 nan 0.000 0.222 345 P C 1.622 179.021 177.300 0.164 0.000 1.155 345 P CA 2.541 65.727 63.100 0.144 0.000 0.890 345 P CB 0.332 32.179 31.700 0.246 0.000 0.790 346 A N -0.123 122.762 122.820 0.109 0.000 1.869 346 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 346 A C 2.539 180.154 177.584 0.052 0.000 1.203 346 A CA 3.519 55.602 52.037 0.077 0.000 0.638 346 A CB -1.757 17.267 19.000 0.040 0.000 0.831 346 A HN 0.231 nan 8.150 nan 0.000 0.450 347 V N -2.836 117.095 119.914 0.028 0.000 2.284 347 V HA -0.156 3.963 4.120 -0.001 0.000 0.236 347 V C 2.385 178.474 176.094 -0.008 0.000 1.044 347 V CA 1.605 63.911 62.300 0.010 0.000 1.019 347 V CB -1.361 30.467 31.823 0.008 0.000 0.657 347 V HN 0.498 nan 8.190 nan 0.000 0.465 348 M N 0.518 120.112 119.600 -0.010 0.000 2.110 348 M HA -0.179 4.301 4.480 -0.001 0.000 0.257 348 M C 2.304 178.556 176.300 -0.080 0.000 1.071 348 M CA 2.958 58.240 55.300 -0.030 0.000 1.096 348 M CB -1.106 31.485 32.600 -0.015 0.000 1.300 348 M HN 0.535 nan 8.290 nan 0.000 0.411 349 T N -1.062 113.412 114.554 -0.132 0.000 2.824 349 T HA -0.038 4.312 4.350 -0.001 0.000 0.238 349 T C 0.812 175.308 174.700 -0.340 0.000 1.067 349 T CA 0.616 62.530 62.100 -0.312 0.000 1.286 349 T CB -0.414 68.149 68.868 -0.509 0.000 0.980 349 T HN 0.340 nan 8.240 nan 0.000 0.414 350 H N 1.632 120.636 119.070 -0.110 0.000 3.792 350 H HA 0.210 4.765 4.556 -0.001 0.000 0.229 350 H C 1.376 176.652 175.328 -0.087 0.000 1.632 350 H CA 0.057 56.036 56.048 -0.114 0.000 1.522 350 H CB -0.574 29.122 29.762 -0.110 0.000 1.822 350 H HN 0.463 nan 8.280 nan 0.000 0.672 351 G N 1.283 110.065 108.800 -0.030 0.000 2.610 351 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.215 351 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.215 351 G C 1.573 176.458 174.900 -0.025 0.000 1.243 351 G CA 0.285 45.371 45.100 -0.022 0.000 0.847 351 G HN 0.543 nan 8.290 nan 0.000 0.560 352 G N 0.333 109.110 108.800 -0.038 0.000 3.324 352 G HA2 0.356 4.315 3.960 -0.001 0.000 0.232 352 G HA3 0.356 4.315 3.960 -0.001 0.000 0.232 352 G C -0.225 174.640 174.900 -0.058 0.000 1.213 352 G CA -0.094 44.983 45.100 -0.039 0.000 1.637 352 G HN 0.352 nan 8.290 nan 0.000 0.572 353 I N 0.304 120.842 120.570 -0.052 0.000 2.540 353 I HA 0.192 4.362 4.170 -0.001 0.000 0.280 353 I C -2.423 173.663 176.117 -0.053 0.000 1.083 353 I CA -1.977 59.279 61.300 -0.074 0.000 1.080 353 I CB 2.734 40.679 38.000 -0.092 0.000 1.205 353 I HN -0.078 nan 8.210 nan 0.000 0.459 354 P HA -0.104 nan 4.420 nan 0.000 0.263 354 P C 0.812 178.092 177.300 -0.034 0.000 1.162 354 P CA 0.238 63.317 63.100 -0.034 0.000 0.758 354 P CB 0.711 32.392 31.700 -0.032 0.000 0.773 355 K N 3.444 123.831 120.400 -0.021 0.000 2.189 355 K HA -0.340 3.980 4.320 -0.001 0.000 0.207 355 K C 2.089 178.680 176.600 -0.015 0.000 1.046 355 K CA 2.319 58.599 56.287 -0.013 0.000 0.928 355 K CB -0.446 32.051 32.500 -0.005 0.000 0.720 355 K HN 0.507 nan 8.250 nan 0.000 0.458 356 E N 0.199 120.387 120.200 -0.020 0.000 2.082 356 E HA -0.322 4.027 4.350 -0.001 0.000 0.215 356 E C 1.947 178.528 176.600 -0.032 0.000 1.048 356 E CA 2.324 58.712 56.400 -0.021 0.000 0.869 356 E CB -1.312 28.372 29.700 -0.025 0.000 0.773 356 E HN 0.665 nan 8.360 nan 0.000 0.466 357 A N 0.497 123.283 122.820 -0.057 0.000 1.897 357 A HA 0.015 4.334 4.320 -0.001 0.000 0.215 357 A C 2.143 179.667 177.584 -0.101 0.000 1.181 357 A CA 1.026 53.010 52.037 -0.087 0.000 0.620 357 A CB -0.092 18.835 19.000 -0.122 0.000 0.821 357 A HN 0.427 nan 8.150 nan 0.000 0.443 358 R N 0.292 120.740 120.500 -0.088 0.000 4.825 358 R HA 0.046 4.385 4.340 -0.001 0.000 0.189 358 R C -0.339 175.959 176.300 -0.005 0.000 2.283 358 R CA 0.430 56.479 56.100 -0.086 0.000 1.847 358 R CB -0.178 30.093 30.300 -0.050 0.000 1.229 358 R HN 0.445 nan 8.270 nan 0.000 0.742 359 E N -1.772 118.421 120.200 -0.011 0.000 2.461 359 E HA 0.077 4.426 4.350 -0.001 0.000 0.185 359 E C 0.602 177.202 176.600 0.000 0.000 0.942 359 E CA 0.450 56.922 56.400 0.120 0.000 1.434 359 E CB 0.111 29.901 29.700 0.150 0.000 1.899 359 E HN 0.285 nan 8.360 nan 0.000 0.862 360 A N 0.851 123.626 122.820 -0.074 0.000 1.972 360 A HA 0.084 4.404 4.320 -0.001 0.000 0.219 360 A C 2.052 179.542 177.584 -0.156 0.000 1.467 360 A CA 1.225 53.209 52.037 -0.089 0.000 0.631 360 A CB -0.761 18.195 19.000 -0.073 0.000 1.143 360 A HN 0.071 nan 8.150 nan 0.000 0.502 361 S N -1.546 114.050 115.700 -0.172 0.000 2.462 361 S HA 0.073 4.543 4.470 -0.001 0.000 0.243 361 S C 1.380 175.829 174.600 -0.253 0.000 1.003 361 S CA 1.980 60.067 58.200 -0.188 0.000 0.970 361 S CB -0.380 62.697 63.200 -0.206 0.000 0.762 361 S HN 1.889 nan 8.310 nan 0.000 0.510 362 G N -1.067 107.513 108.800 -0.367 0.000 2.231 362 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.206 362 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.206 362 G C 0.279 174.812 174.900 -0.611 0.000 0.996 362 G CA -0.017 44.715 45.100 -0.612 0.000 0.645 362 G HN 0.497 nan 8.290 nan 0.000 0.498 363 V N 3.252 122.943 119.914 -0.371 0.000 2.000 363 V HA 0.182 4.301 4.120 -0.001 0.000 0.257 363 V C 1.167 177.209 176.094 -0.086 0.000 1.801 363 V CA 0.199 62.352 62.300 -0.245 0.000 1.713 363 V CB -1.725 29.888 31.823 -0.351 0.000 1.531 363 V HN 0.325 nan 8.190 nan 0.000 0.493 364 F N 1.393 121.298 119.950 -0.075 0.000 2.642 364 F HA -0.095 4.432 4.527 -0.001 0.000 0.371 364 F C 1.773 177.532 175.800 -0.068 0.000 1.120 364 F CA 0.149 58.108 58.000 -0.068 0.000 1.331 364 F CB 0.421 39.382 39.000 -0.065 0.000 1.044 364 F HN 0.326 nan 8.300 nan 0.000 0.594 365 D N 1.963 122.457 120.400 0.156 0.000 2.264 365 D HA -0.168 4.471 4.640 -0.001 0.000 0.208 365 D C 1.041 177.343 176.300 0.004 0.000 0.966 365 D CA 1.198 55.226 54.000 0.047 0.000 0.864 365 D CB -0.040 40.770 40.800 0.016 0.000 0.933 365 D HN 0.611 nan 8.370 nan 0.000 0.499 366 D N 0.205 120.595 120.400 -0.017 0.000 2.615 366 D HA 0.027 4.667 4.640 -0.001 0.000 0.236 366 D C 0.321 176.551 176.300 -0.116 0.000 1.233 366 D CA -0.482 53.472 54.000 -0.077 0.000 0.829 366 D CB -0.370 40.363 40.800 -0.111 0.000 1.024 366 D HN 0.135 nan 8.370 nan 0.000 0.490 367 L N 0.746 121.926 121.223 -0.071 0.000 2.282 367 L HA 0.378 4.718 4.340 -0.001 0.000 0.288 367 L C -0.968 175.767 176.870 -0.225 0.000 1.033 367 L CA -0.640 54.117 54.840 -0.138 0.000 0.807 367 L CB 1.760 43.818 42.059 -0.001 0.000 1.209 367 L HN -0.190 nan 8.230 nan 0.000 0.423 368 V N 6.049 125.665 119.914 -0.496 0.000 2.394 368 V HA 0.505 4.625 4.120 -0.001 0.000 0.282 368 V C -0.024 175.949 176.094 -0.202 0.000 1.031 368 V CA -0.610 61.438 62.300 -0.420 0.000 0.881 368 V CB 1.433 32.798 31.823 -0.762 0.000 0.982 368 V HN 0.800 nan 8.190 nan 0.000 0.451 369 R N 6.356 126.861 120.500 0.007 0.000 2.387 369 R HA 0.722 5.061 4.340 -0.001 0.000 0.314 369 R C -0.927 175.474 176.300 0.169 0.000 0.958 369 R CA -0.535 55.634 56.100 0.115 0.000 0.846 369 R CB 1.240 31.613 30.300 0.121 0.000 1.147 369 R HN 0.834 nan 8.270 nan 0.000 0.447 370 I N 0.354 121.051 120.570 0.213 0.000 2.509 370 I HA 0.407 4.576 4.170 -0.001 0.000 0.293 370 I C -0.686 175.570 176.117 0.233 0.000 1.020 370 I CA -0.772 60.672 61.300 0.239 0.000 1.088 370 I CB 2.372 40.498 38.000 0.210 0.000 1.267 370 I HN 0.452 nan 8.210 nan 0.000 0.430 371 S N 5.276 121.119 115.700 0.237 0.000 2.466 371 S HA 0.420 4.890 4.470 -0.001 0.000 0.313 371 S C -0.231 174.473 174.600 0.172 0.000 1.078 371 S CA -0.480 57.806 58.200 0.145 0.000 1.115 371 S CB 0.095 63.318 63.200 0.038 0.000 1.006 371 S HN 0.459 nan 8.310 nan 0.000 0.487 372 V N 5.446 125.477 119.914 0.195 0.000 2.529 372 V HA 0.351 4.470 4.120 -0.001 0.000 0.292 372 V C 1.474 177.560 176.094 -0.014 0.000 1.028 372 V CA 0.327 62.701 62.300 0.124 0.000 1.074 372 V CB 0.528 32.434 31.823 0.138 0.000 0.958 372 V HN 0.862 nan 8.190 nan 0.000 0.481 373 G N 3.753 112.464 108.800 -0.148 0.000 2.714 373 G HA2 0.485 4.445 3.960 -0.001 0.000 0.197 373 G HA3 0.485 4.445 3.960 -0.001 0.000 0.197 373 G C 0.492 175.320 174.900 -0.120 0.000 1.449 373 G CA -0.139 44.867 45.100 -0.156 0.000 1.065 373 G HN 0.916 nan 8.290 nan 0.000 0.575 374 I N -1.923 118.569 120.570 -0.130 0.000 3.936 374 I HA 0.432 4.601 4.170 -0.001 0.000 0.330 374 I C -0.257 175.801 176.117 -0.097 0.000 1.509 374 I CA -0.387 60.854 61.300 -0.099 0.000 1.126 374 I CB 0.317 38.261 38.000 -0.093 0.000 1.115 374 I HN 0.082 nan 8.210 nan 0.000 0.424 375 E N 1.987 122.113 120.200 -0.125 0.000 2.451 375 E HA 0.023 4.372 4.350 -0.001 0.000 0.256 375 E C 0.117 176.667 176.600 -0.084 0.000 1.294 375 E CA -0.150 56.184 56.400 -0.110 0.000 1.005 375 E CB 0.257 29.869 29.700 -0.145 0.000 0.990 375 E HN 0.217 nan 8.360 nan 0.000 0.505 376 D N -0.408 119.952 120.400 -0.067 0.000 2.472 376 D HA -0.064 4.575 4.640 -0.001 0.000 0.237 376 D C 0.385 176.657 176.300 -0.046 0.000 1.141 376 D CA 0.385 54.355 54.000 -0.049 0.000 0.875 376 D CB 0.968 41.743 40.800 -0.042 0.000 1.192 376 D HN 0.284 nan 8.370 nan 0.000 0.450 377 T N 2.726 117.260 114.554 -0.033 0.000 2.737 377 T HA -0.133 4.217 4.350 -0.001 0.000 0.265 377 T C 1.193 175.875 174.700 -0.031 0.000 1.038 377 T CA 0.961 63.045 62.100 -0.026 0.000 1.144 377 T CB -0.035 68.823 68.868 -0.017 0.000 0.866 377 T HN 0.467 nan 8.240 nan 0.000 0.434 378 D N 1.245 121.624 120.400 -0.035 0.000 2.117 378 D HA -0.090 4.549 4.640 -0.001 0.000 0.197 378 D C 1.840 178.111 176.300 -0.048 0.000 0.987 378 D CA 1.016 54.988 54.000 -0.047 0.000 0.829 378 D CB -0.374 40.403 40.800 -0.038 0.000 0.961 378 D HN 0.315 nan 8.370 nan 0.000 0.460 379 D N 0.393 120.770 120.400 -0.038 0.000 2.149 379 D HA -0.106 4.534 4.640 -0.001 0.000 0.198 379 D C 2.260 178.551 176.300 -0.016 0.000 0.990 379 D CA 0.496 54.476 54.000 -0.034 0.000 0.839 379 D CB -0.263 40.513 40.800 -0.040 0.000 0.948 379 D HN 0.254 nan 8.370 nan 0.000 0.460 380 L N -0.436 120.786 121.223 -0.002 0.000 2.127 380 L HA -0.038 4.302 4.340 -0.001 0.000 0.203 380 L C 2.186 179.109 176.870 0.090 0.000 1.080 380 L CA 0.159 55.059 54.840 0.101 0.000 0.768 380 L CB -0.221 41.885 42.059 0.078 0.000 0.924 380 L HN 0.051 nan 8.230 nan 0.000 0.444 381 L N 0.428 121.631 121.223 -0.034 0.000 1.976 381 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 381 L C 2.424 179.146 176.870 -0.246 0.000 1.071 381 L CA 1.830 56.560 54.840 -0.183 0.000 0.746 381 L CB -0.519 41.415 42.059 -0.209 0.000 0.890 381 L HN 0.151 nan 8.230 nan 0.000 0.432 382 E N -0.656 119.447 120.200 -0.162 0.000 2.267 382 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 382 E C 1.707 178.252 176.600 -0.092 0.000 0.998 382 E CA 1.194 57.511 56.400 -0.138 0.000 0.830 382 E CB -0.176 29.475 29.700 -0.082 0.000 0.751 382 E HN 0.629 nan 8.360 nan 0.000 0.491 383 D N -1.224 119.148 120.400 -0.046 0.000 2.271 383 D HA -0.039 4.601 4.640 -0.001 0.000 0.206 383 D C 1.564 177.837 176.300 -0.045 0.000 0.967 383 D CA 0.464 54.459 54.000 -0.009 0.000 0.867 383 D CB 0.153 41.000 40.800 0.079 0.000 0.960 383 D HN 0.122 nan 8.370 nan 0.000 0.509 384 I N 0.744 121.271 120.570 -0.071 0.000 2.286 384 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 384 I C 2.068 178.212 176.117 0.046 0.000 1.104 384 I CA 0.936 62.212 61.300 -0.041 0.000 1.397 384 I CB -0.704 37.239 38.000 -0.094 0.000 1.072 384 I HN 0.093 nan 8.210 nan 0.000 0.417 385 K N 0.599 120.944 120.400 -0.092 0.000 1.978 385 K HA -0.242 4.077 4.320 -0.001 0.000 0.214 385 K C 2.021 178.660 176.600 0.064 0.000 1.049 385 K CA 1.327 57.620 56.287 0.009 0.000 0.939 385 K CB -0.499 31.930 32.500 -0.118 0.000 0.721 385 K HN 0.193 nan 8.250 nan 0.000 0.441 386 Q N 0.944 120.747 119.800 0.005 0.000 2.389 386 Q HA -0.173 4.167 4.340 -0.001 0.000 0.213 386 Q C 1.407 177.416 176.000 0.015 0.000 0.989 386 Q CA 1.840 57.648 55.803 0.008 0.000 0.891 386 Q CB 0.008 28.735 28.738 -0.017 0.000 0.923 386 Q HN 0.390 nan 8.270 nan 0.000 0.455 387 A N -0.708 122.126 122.820 0.024 0.000 2.197 387 A HA 0.189 4.509 4.320 -0.001 0.000 0.210 387 A C 2.020 179.734 177.584 0.217 0.000 1.180 387 A CA -0.201 51.836 52.037 0.001 0.000 0.846 387 A CB 0.007 18.816 19.000 -0.318 0.000 0.884 387 A HN 0.325 nan 8.150 nan 0.000 0.487 388 L N -0.096 121.305 121.223 0.297 0.000 2.027 388 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 388 L C 2.435 179.417 176.870 0.187 0.000 1.074 388 L CA 1.484 56.508 54.840 0.307 0.000 0.745 388 L CB -0.409 41.796 42.059 0.243 0.000 0.898 388 L HN 0.339 nan 8.230 nan 0.000 0.433 389 K N -0.344 120.137 120.400 0.135 0.000 2.032 389 K HA -0.225 4.095 4.320 -0.001 0.000 0.209 389 K C 2.116 178.763 176.600 0.078 0.000 1.048 389 K CA 1.287 57.628 56.287 0.090 0.000 0.927 389 K CB -0.248 32.294 32.500 0.069 0.000 0.712 389 K HN 0.369 nan 8.250 nan 0.000 0.441 390 Q N 0.358 120.203 119.800 0.076 0.000 2.045 390 Q HA -0.198 4.142 4.340 -0.001 0.000 0.206 390 Q C 2.331 178.374 176.000 0.072 0.000 0.991 390 Q CA 1.853 57.690 55.803 0.057 0.000 0.851 390 Q CB -0.400 28.359 28.738 0.035 0.000 0.911 390 Q HN 0.394 nan 8.270 nan 0.000 0.418 391 A N 0.627 123.516 122.820 0.116 0.000 1.933 391 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 391 A C 2.360 179.993 177.584 0.081 0.000 1.175 391 A CA 1.911 54.019 52.037 0.118 0.000 0.628 391 A CB -0.837 18.277 19.000 0.192 0.000 0.814 391 A HN 0.368 nan 8.150 nan 0.000 0.444 392 T N 0.766 115.369 114.554 0.081 0.000 2.595 392 T HA -0.096 4.254 4.350 -0.001 0.000 0.264 392 T C 1.047 175.771 174.700 0.040 0.000 1.058 392 T CA 1.419 63.551 62.100 0.055 0.000 1.166 392 T CB -0.507 68.394 68.868 0.056 0.000 0.863 392 T HN 0.568 nan 8.240 nan 0.000 0.415 393 N N 0.000 118.724 118.700 0.040 0.000 1.763 393 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 393 N CA 0.000 53.067 53.050 0.029 0.000 0.885 393 N CB 0.000 38.503 38.487 0.027 0.000 1.341 393 N HN 0.000 nan 8.380 nan 0.000 0.667