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 2wxw_1_A DATA FIRST_RESID 0 DATA SEQUENCE SDRVYIHPFH LVIHNESTcE QLAKANAGKP KDPTFIPAPI QAKTSPVDEK DATA SEQUENCE ALQDQLVLVA AKLDTEDKLR AAMVGMLANF LGFRIYGMHS ELWGVVHGAT DATA SEQUENCE VLSPTAVFGT LASLYLGALD HTADRLQAIL GVPWKDKNcT SRLDAHKVLS DATA SEQUENCE ALQAVQGLLV AQGRADSQAQ LLLSTVVGVF TAPGLHLKQP FVQGLALYTP DATA SEQUENCE VVLPRSLDFT ELDVAAEKID RFMQAVTGWK TGCSLMGASV DSTLAFNTYV DATA SEQUENCE HFQGKMKGFS LLAEPQEFWV DNSTSVSVPM LSGMGTFQHW SDIQDNFSVT DATA SEQUENCE QVPFTESACL LLIQPHYASD LDKVEGLTFQ QNSLNWMKKL SPRTIHLTMP DATA SEQUENCE QLVLQGSYDL QDLLAQAELP AILHTELNLQ KLSNDRIRVG EVLNSIFFEL DATA SEQUENCE EADEXXXXXX XXXXXXPEVL EVTLNRPFLF AVYDQSATAL HFLGRVANPL 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.562 174.600 -0.064 0.000 1.055 0 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 0 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 1 D N 0.130 120.478 120.400 -0.088 0.000 2.575 1 D HA 0.534 5.175 4.640 0.002 0.000 0.250 1 D C -0.951 175.202 176.300 -0.246 0.000 1.279 1 D CA -0.325 53.580 54.000 -0.159 0.000 0.925 1 D CB 0.755 41.462 40.800 -0.155 0.000 1.261 1 D HN 0.387 nan 8.370 nan 0.000 0.567 2 R N 2.989 123.308 120.500 -0.302 0.000 2.782 2 R HA 0.280 4.621 4.340 0.002 0.000 0.293 2 R C -0.561 175.416 176.300 -0.538 0.000 1.333 2 R CA -0.323 55.504 56.100 -0.455 0.000 1.479 2 R CB 1.314 31.511 30.300 -0.171 0.000 1.306 2 R HN 0.144 nan 8.270 nan 0.000 0.654 3 V N 2.181 121.701 119.914 -0.658 0.000 2.525 3 V HA 0.225 4.346 4.120 0.002 0.000 0.326 3 V C -0.169 175.671 176.094 -0.424 0.000 1.477 3 V CA -0.252 61.791 62.300 -0.428 0.000 1.579 3 V CB -1.174 30.507 31.823 -0.238 0.000 1.489 3 V HN 0.381 nan 8.190 nan 0.000 0.541 4 Y N -0.200 120.034 120.300 -0.111 0.000 2.645 4 Y HA 0.580 5.132 4.550 0.002 0.000 0.341 4 Y C 1.463 177.288 175.900 -0.126 0.000 1.234 4 Y CA -1.210 56.833 58.100 -0.095 0.000 1.352 4 Y CB 0.439 38.864 38.460 -0.058 0.000 1.556 4 Y HN 0.132 nan 8.280 nan 0.000 0.607 5 I N -2.232 118.414 120.570 0.126 0.000 4.588 5 I HA -0.406 3.765 4.170 0.002 0.000 0.053 5 I C -0.229 175.961 176.117 0.121 0.000 0.617 5 I CA 2.377 63.733 61.300 0.094 0.000 0.853 5 I CB -1.606 36.467 38.000 0.122 0.000 0.779 5 I HN 0.891 nan 8.210 nan 0.000 0.163 6 H N -0.954 118.145 119.070 0.049 0.000 2.895 6 H HA 0.640 5.197 4.556 0.002 0.000 0.373 6 H C -2.581 172.661 175.328 -0.145 0.000 1.174 6 H CA -1.747 54.275 56.048 -0.042 0.000 1.144 6 H CB 1.316 31.160 29.762 0.137 0.000 1.793 6 H HN -0.084 nan 8.280 nan 0.000 0.551 7 P HA 0.072 nan 4.420 nan 0.000 0.255 7 P C -0.590 176.575 177.300 -0.224 0.000 1.248 7 P CA 0.046 62.977 63.100 -0.281 0.000 0.807 7 P CB -0.009 31.494 31.700 -0.328 0.000 1.150 8 F N 1.319 121.440 119.950 0.286 0.000 2.659 8 F HA 0.144 4.673 4.527 0.002 0.000 0.360 8 F C 1.786 177.668 175.800 0.137 0.000 1.218 8 F CA -0.388 57.712 58.000 0.166 0.000 1.317 8 F CB -1.132 37.987 39.000 0.199 0.000 1.697 8 F HN 0.117 nan 8.300 nan 0.000 0.637 9 H N -1.489 117.700 119.070 0.198 0.000 2.535 9 H HA 0.068 4.626 4.556 0.002 0.000 0.273 9 H C 1.477 176.875 175.328 0.117 0.000 0.983 9 H CA 0.869 56.982 56.048 0.108 0.000 1.238 9 H CB -0.277 29.488 29.762 0.004 0.000 1.412 9 H HN 0.495 nan 8.280 nan 0.000 0.562 10 L N 0.872 122.084 121.223 -0.017 0.000 2.162 10 L HA -0.032 4.310 4.340 0.002 0.000 0.205 10 L C 2.317 179.230 176.870 0.071 0.000 1.086 10 L CA 0.905 55.786 54.840 0.067 0.000 0.778 10 L CB -0.216 41.836 42.059 -0.011 0.000 0.928 10 L HN 0.414 nan 8.230 nan 0.000 0.446 11 V N -1.410 118.549 119.914 0.075 0.000 3.041 11 V HA 0.011 4.132 4.120 0.002 0.000 0.260 11 V C 1.224 177.345 176.094 0.044 0.000 1.105 11 V CA -0.060 62.269 62.300 0.050 0.000 1.125 11 V CB -1.048 30.797 31.823 0.036 0.000 0.730 11 V HN 0.273 nan 8.190 nan 0.000 0.479 12 I N -1.707 118.932 120.570 0.115 0.000 3.021 12 I HA 0.439 4.611 4.170 0.002 0.000 0.303 12 I C 0.559 176.717 176.117 0.069 0.000 1.044 12 I CA -1.021 60.359 61.300 0.133 0.000 1.266 12 I CB -0.379 37.774 38.000 0.256 0.000 1.447 12 I HN 0.033 nan 8.210 nan 0.000 0.593 13 H N 1.918 121.065 119.070 0.128 0.000 2.629 13 H HA 0.262 4.820 4.556 0.002 0.000 0.357 13 H C -0.529 174.850 175.328 0.086 0.000 1.121 13 H CA 0.099 56.207 56.048 0.100 0.000 1.406 13 H CB 0.996 30.811 29.762 0.088 0.000 1.456 13 H HN 0.602 nan 8.280 nan 0.000 0.579 14 N N 0.968 119.794 118.700 0.210 0.000 2.430 14 N HA 0.019 4.761 4.740 0.002 0.000 0.298 14 N C 0.855 176.434 175.510 0.115 0.000 1.130 14 N CA -0.375 52.755 53.050 0.132 0.000 0.894 14 N CB 1.104 39.647 38.487 0.094 0.000 1.209 14 N HN 0.557 nan 8.380 nan 0.000 0.503 15 E N 0.155 120.400 120.200 0.075 0.000 2.058 15 E HA -0.191 4.161 4.350 0.002 0.000 0.194 15 E C 1.457 178.083 176.600 0.044 0.000 0.997 15 E CA 1.840 58.271 56.400 0.052 0.000 0.801 15 E CB -0.021 29.701 29.700 0.037 0.000 0.746 15 E HN 0.769 nan 8.360 nan 0.000 0.450 16 S N 0.706 116.432 115.700 0.044 0.000 2.382 16 S HA -0.179 4.292 4.470 0.002 0.000 0.228 16 S C 2.287 176.913 174.600 0.043 0.000 1.027 16 S CA 1.721 59.943 58.200 0.036 0.000 0.991 16 S CB -0.892 62.327 63.200 0.032 0.000 0.823 16 S HN 0.397 nan 8.310 nan 0.000 0.469 17 T N -1.368 113.226 114.554 0.067 0.000 2.904 17 T HA -0.044 4.307 4.350 0.002 0.000 0.267 17 T C 1.971 176.718 174.700 0.078 0.000 1.059 17 T CA 0.972 63.123 62.100 0.085 0.000 1.137 17 T CB -1.172 67.776 68.868 0.134 0.000 0.879 17 T HN 0.498 nan 8.240 nan 0.000 0.467 18 c N 1.498 120.138 118.600 0.065 0.000 2.448 18 c HA 0.149 4.720 4.570 0.002 0.000 0.280 18 c C 2.697 176.782 174.090 -0.008 0.000 1.398 18 c CA 0.389 56.717 56.329 -0.002 0.000 1.774 18 c CB -1.342 41.156 42.510 -0.020 0.000 1.888 18 c HN 0.626 nan 8.230 nan 0.000 0.519 19 E N -0.277 119.928 120.200 0.009 0.000 2.153 19 E HA -0.222 4.130 4.350 0.002 0.000 0.194 19 E C 2.277 178.877 176.600 0.000 0.000 0.988 19 E CA 1.097 57.500 56.400 0.004 0.000 0.811 19 E CB -0.119 29.587 29.700 0.010 0.000 0.746 19 E HN 0.728 nan 8.360 nan 0.000 0.466 20 Q N 0.173 119.975 119.800 0.004 0.000 2.083 20 Q HA -0.088 4.253 4.340 0.002 0.000 0.198 20 Q C 2.338 178.331 176.000 -0.012 0.000 0.969 20 Q CA 0.787 56.590 55.803 -0.001 0.000 0.838 20 Q CB 0.027 28.767 28.738 0.003 0.000 0.900 20 Q HN 0.315 nan 8.270 nan 0.000 0.436 21 L N 0.158 121.369 121.223 -0.020 0.000 2.131 21 L HA -0.151 4.191 4.340 0.002 0.000 0.210 21 L C 2.450 179.298 176.870 -0.037 0.000 1.092 21 L CA 0.815 55.632 54.840 -0.039 0.000 0.759 21 L CB -0.529 41.484 42.059 -0.076 0.000 0.903 21 L HN 0.183 nan 8.230 nan 0.000 0.435 22 A N 0.029 122.831 122.820 -0.030 0.000 1.930 22 A HA -0.188 4.134 4.320 0.002 0.000 0.217 22 A C 2.358 179.933 177.584 -0.016 0.000 1.175 22 A CA 1.445 53.468 52.037 -0.024 0.000 0.627 22 A CB -0.248 18.741 19.000 -0.017 0.000 0.815 22 A HN 0.305 nan 8.150 nan 0.000 0.443 23 K N -0.472 119.921 120.400 -0.012 0.000 2.025 23 K HA -0.003 4.318 4.320 0.002 0.000 0.207 23 K C 2.154 178.749 176.600 -0.008 0.000 1.049 23 K CA 1.109 57.391 56.287 -0.007 0.000 0.933 23 K CB -0.259 32.239 32.500 -0.004 0.000 0.714 23 K HN 0.413 nan 8.250 nan 0.000 0.438 24 A N 1.375 124.189 122.820 -0.011 0.000 2.168 24 A HA -0.115 4.206 4.320 0.002 0.000 0.215 24 A C 1.685 179.262 177.584 -0.011 0.000 1.152 24 A CA 1.083 53.114 52.037 -0.009 0.000 0.716 24 A CB -0.479 18.515 19.000 -0.009 0.000 0.794 24 A HN 0.261 nan 8.150 nan 0.000 0.465 25 N N 0.674 119.364 118.700 -0.017 0.000 2.364 25 N HA -0.010 4.731 4.740 0.002 0.000 0.183 25 N C 0.802 176.303 175.510 -0.015 0.000 1.022 25 N CA 0.822 53.859 53.050 -0.021 0.000 0.883 25 N CB -0.432 38.039 38.487 -0.027 0.000 0.965 25 N HN 0.450 nan 8.380 nan 0.000 0.438 26 A N -0.909 121.904 122.820 -0.011 0.000 2.507 26 A HA 0.354 4.675 4.320 0.002 0.000 0.235 26 A C 1.511 179.092 177.584 -0.006 0.000 1.070 26 A CA 0.335 52.367 52.037 -0.008 0.000 0.768 26 A CB -0.132 18.865 19.000 -0.005 0.000 1.011 26 A HN 0.392 nan 8.150 nan 0.000 0.502 27 G N 0.065 108.861 108.800 -0.006 0.000 2.712 27 G HA2 -0.056 3.905 3.960 0.002 0.000 0.212 27 G HA3 -0.056 3.905 3.960 0.002 0.000 0.212 27 G C 1.272 176.170 174.900 -0.003 0.000 1.142 27 G CA 0.651 45.748 45.100 -0.006 0.000 0.789 27 G HN 0.807 nan 8.290 nan 0.000 0.535 28 K N 0.459 120.858 120.400 -0.002 0.000 2.032 28 K HA -0.028 4.293 4.320 0.002 0.000 0.209 28 K C -1.214 175.387 176.600 0.003 0.000 1.048 28 K CA 0.681 56.968 56.287 -0.000 0.000 0.927 28 K CB -0.776 31.724 32.500 0.000 0.000 0.712 28 K HN 0.303 nan 8.250 nan 0.000 0.441 29 P HA 0.103 nan 4.420 nan 0.000 0.279 29 P C -1.316 175.990 177.300 0.011 0.000 1.318 29 P CA 0.186 63.291 63.100 0.009 0.000 0.819 29 P CB 0.602 32.308 31.700 0.010 0.000 0.927 30 K N 2.669 123.076 120.400 0.012 0.000 2.201 30 K HA 0.202 4.523 4.320 0.002 0.000 0.278 30 K C 0.134 176.748 176.600 0.024 0.000 1.027 30 K CA -0.668 55.626 56.287 0.012 0.000 0.909 30 K CB 0.666 33.170 32.500 0.006 0.000 1.062 30 K HN 0.464 nan 8.250 nan 0.000 0.465 31 D N 2.734 123.153 120.400 0.031 0.000 2.399 31 D HA 0.074 4.716 4.640 0.002 0.000 0.241 31 D C -2.184 174.154 176.300 0.064 0.000 1.133 31 D CA -1.383 52.649 54.000 0.052 0.000 0.890 31 D CB 0.192 41.029 40.800 0.061 0.000 1.201 31 D HN 0.197 nan 8.370 nan 0.000 0.432 32 P HA 0.158 nan 4.420 nan 0.000 0.283 32 P C -0.268 177.138 177.300 0.177 0.000 1.412 32 P CA -0.564 62.604 63.100 0.113 0.000 0.912 32 P CB 0.571 32.334 31.700 0.106 0.000 1.132 33 T N 1.103 115.747 114.554 0.151 0.000 2.788 33 T HA 0.654 5.005 4.350 0.002 0.000 0.287 33 T C -0.057 174.816 174.700 0.289 0.000 1.007 33 T CA -0.439 61.758 62.100 0.161 0.000 1.005 33 T CB 0.403 69.326 68.868 0.093 0.000 1.012 33 T HN 0.351 nan 8.240 nan 0.000 0.530 34 F N -1.236 118.776 119.950 0.102 0.000 2.615 34 F HA 0.668 5.196 4.527 0.002 0.000 0.312 34 F C -1.401 174.387 175.800 -0.021 0.000 1.119 34 F CA -1.731 56.305 58.000 0.060 0.000 0.979 34 F CB 0.877 39.900 39.000 0.038 0.000 1.266 34 F HN 0.539 nan 8.300 nan 0.000 0.444 35 I N 5.059 125.616 120.570 -0.020 0.000 2.371 35 I HA 0.299 4.471 4.170 0.002 0.000 0.290 35 I C -1.877 174.284 176.117 0.074 0.000 1.028 35 I CA -1.770 59.427 61.300 -0.171 0.000 1.345 35 I CB 1.371 39.189 38.000 -0.304 0.000 1.407 35 I HN 0.474 nan 8.210 nan 0.000 0.501 36 P HA 0.252 nan 4.420 nan 0.000 0.277 36 P C -0.599 176.725 177.300 0.040 0.000 1.240 36 P CA -0.424 62.752 63.100 0.126 0.000 0.798 36 P CB 1.074 32.821 31.700 0.078 0.000 0.979 37 A N 4.153 126.995 122.820 0.037 0.000 2.327 37 A HA 0.479 4.801 4.320 0.002 0.000 0.255 37 A C -2.028 175.540 177.584 -0.026 0.000 1.099 37 A CA -1.220 50.819 52.037 0.003 0.000 0.801 37 A CB -1.266 17.738 19.000 0.006 0.000 1.062 37 A HN 0.475 nan 8.150 nan 0.000 0.496 38 P HA 0.153 nan 4.420 nan 0.000 0.274 38 P C 0.792 178.035 177.300 -0.095 0.000 1.237 38 P CA -0.172 62.890 63.100 -0.062 0.000 0.793 38 P CB 0.425 32.096 31.700 -0.048 0.000 0.977 39 I N -1.143 119.327 120.570 -0.167 0.000 2.830 39 I HA -0.154 4.017 4.170 0.002 0.000 0.263 39 I C 2.138 178.233 176.117 -0.036 0.000 1.230 39 I CA 0.884 62.031 61.300 -0.256 0.000 1.480 39 I CB -0.736 36.959 38.000 -0.509 0.000 1.095 39 I HN 0.312 nan 8.210 nan 0.000 0.455 40 Q N 2.313 122.093 119.800 -0.033 0.000 2.234 40 Q HA -0.058 4.283 4.340 0.002 0.000 0.206 40 Q C 1.303 177.317 176.000 0.023 0.000 0.980 40 Q CA 0.971 56.775 55.803 0.001 0.000 0.869 40 Q CB -0.062 28.666 28.738 -0.017 0.000 0.912 40 Q HN 0.727 nan 8.270 nan 0.000 0.436 41 A N 1.487 124.319 122.820 0.021 0.000 2.540 41 A HA 0.020 4.342 4.320 0.002 0.000 0.239 41 A C -0.508 177.113 177.584 0.062 0.000 1.061 41 A CA 0.151 52.206 52.037 0.031 0.000 0.758 41 A CB 0.162 19.176 19.000 0.024 0.000 0.991 41 A HN 0.283 nan 8.150 nan 0.000 0.502 42 K N 2.504 122.925 120.400 0.035 0.000 2.294 42 K HA 0.173 4.494 4.320 0.002 0.000 0.288 42 K C -0.418 176.198 176.600 0.028 0.000 1.072 42 K CA 0.424 56.727 56.287 0.025 0.000 0.960 42 K CB 0.061 32.561 32.500 -0.000 0.000 1.043 42 K HN 0.661 nan 8.250 nan 0.000 0.455 43 T N 1.760 116.343 114.554 0.049 0.000 2.767 43 T HA 0.116 4.467 4.350 0.002 0.000 0.284 43 T C 0.259 174.919 174.700 -0.065 0.000 0.973 43 T CA -0.806 61.309 62.100 0.024 0.000 0.996 43 T CB 1.122 70.060 68.868 0.118 0.000 0.927 43 T HN 0.574 nan 8.240 nan 0.000 0.456 44 S N 4.579 120.237 115.700 -0.070 0.000 2.572 44 S HA 0.363 4.834 4.470 0.002 0.000 0.279 44 S C -2.122 172.387 174.600 -0.151 0.000 1.341 44 S CA -1.143 56.997 58.200 -0.100 0.000 1.043 44 S CB -0.081 63.072 63.200 -0.077 0.000 0.887 44 S HN 0.502 nan 8.310 nan 0.000 0.516 45 P HA 0.219 nan 4.420 nan 0.000 0.274 45 P C -0.114 177.062 177.300 -0.206 0.000 1.246 45 P CA -0.693 62.262 63.100 -0.241 0.000 0.795 45 P CB 0.354 31.906 31.700 -0.247 0.000 1.006 46 V N -1.616 118.149 119.914 -0.248 0.000 2.479 46 V HA 0.148 4.270 4.120 0.002 0.000 0.281 46 V C 0.413 176.425 176.094 -0.137 0.000 1.031 46 V CA -0.389 61.804 62.300 -0.178 0.000 1.038 46 V CB -0.216 31.498 31.823 -0.181 0.000 0.981 46 V HN 0.433 nan 8.190 nan 0.000 0.478 47 D N 3.867 124.213 120.400 -0.090 0.000 2.383 47 D HA 0.044 4.685 4.640 0.002 0.000 0.245 47 D C 0.958 177.237 176.300 -0.034 0.000 1.263 47 D CA 0.382 54.344 54.000 -0.063 0.000 0.936 47 D CB 1.107 41.876 40.800 -0.051 0.000 1.053 47 D HN 0.916 nan 8.370 nan 0.000 0.507 48 E N 3.125 123.313 120.200 -0.020 0.000 2.150 48 E HA -0.166 4.185 4.350 0.002 0.000 0.193 48 E C 1.375 177.982 176.600 0.012 0.000 0.985 48 E CA 0.899 57.315 56.400 0.027 0.000 0.814 48 E CB 0.396 30.138 29.700 0.070 0.000 0.752 48 E HN 0.389 nan 8.360 nan 0.000 0.466 49 K N 0.094 120.491 120.400 -0.005 0.000 2.002 49 K HA -0.124 4.198 4.320 0.002 0.000 0.209 49 K C 2.220 178.814 176.600 -0.011 0.000 1.048 49 K CA 1.136 57.417 56.287 -0.010 0.000 0.930 49 K CB -0.205 32.285 32.500 -0.015 0.000 0.714 49 K HN 0.094 nan 8.250 nan 0.000 0.438 50 A N 1.566 124.377 122.820 -0.014 0.000 1.978 50 A HA -0.179 4.143 4.320 0.002 0.000 0.220 50 A C 2.090 179.668 177.584 -0.010 0.000 1.170 50 A CA 1.273 53.301 52.037 -0.015 0.000 0.636 50 A CB -0.501 18.486 19.000 -0.021 0.000 0.810 50 A HN 0.247 nan 8.150 nan 0.000 0.448 51 L N 0.482 121.703 121.223 -0.005 0.000 1.988 51 L HA -0.208 4.133 4.340 0.002 0.000 0.207 51 L C 2.767 179.639 176.870 0.003 0.000 1.071 51 L CA 2.804 57.645 54.840 0.002 0.000 0.744 51 L CB -1.063 41.007 42.059 0.019 0.000 0.893 51 L HN 0.686 nan 8.230 nan 0.000 0.433 52 Q N -1.735 118.067 119.800 0.002 0.000 2.167 52 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 52 Q C 1.460 177.456 176.000 -0.007 0.000 0.970 52 Q CA 1.730 57.529 55.803 -0.005 0.000 0.855 52 Q CB -0.639 28.088 28.738 -0.018 0.000 0.911 52 Q HN 0.461 nan 8.270 nan 0.000 0.438 53 D N 0.471 120.867 120.400 -0.007 0.000 2.219 53 D HA -0.141 4.500 4.640 0.002 0.000 0.205 53 D C 1.896 178.195 176.300 -0.002 0.000 0.970 53 D CA 0.861 54.858 54.000 -0.006 0.000 0.851 53 D CB -0.025 40.771 40.800 -0.007 0.000 0.943 53 D HN 0.341 nan 8.370 nan 0.000 0.488 54 Q N 0.164 119.964 119.800 -0.001 0.000 2.212 54 Q HA 0.035 4.376 4.340 0.002 0.000 0.199 54 Q C 2.367 178.370 176.000 0.006 0.000 0.950 54 Q CA 0.238 56.042 55.803 0.001 0.000 0.863 54 Q CB 0.132 28.869 28.738 -0.001 0.000 0.944 54 Q HN 0.334 nan 8.270 nan 0.000 0.465 55 L N 0.440 121.667 121.223 0.006 0.000 2.141 55 L HA -0.136 4.205 4.340 0.002 0.000 0.209 55 L C 2.477 179.355 176.870 0.013 0.000 1.094 55 L CA 1.010 55.856 54.840 0.011 0.000 0.763 55 L CB -0.527 41.539 42.059 0.011 0.000 0.908 55 L HN 0.103 nan 8.230 nan 0.000 0.437 56 V N -2.834 117.084 119.914 0.007 0.000 2.548 56 V HA -0.200 3.922 4.120 0.002 0.000 0.249 56 V C 2.260 178.361 176.094 0.011 0.000 1.055 56 V CA 1.122 63.426 62.300 0.008 0.000 1.065 56 V CB -0.644 31.180 31.823 0.002 0.000 0.681 56 V HN 0.348 nan 8.190 nan 0.000 0.462 57 L N 0.579 121.808 121.223 0.010 0.000 2.056 57 L HA -0.048 4.293 4.340 0.002 0.000 0.207 57 L C 2.571 179.451 176.870 0.016 0.000 1.078 57 L CA 2.212 57.060 54.840 0.012 0.000 0.749 57 L CB -0.618 41.447 42.059 0.009 0.000 0.901 57 L HN 0.325 nan 8.230 nan 0.000 0.433 58 V N 0.760 120.685 119.914 0.018 0.000 2.407 58 V HA -0.245 3.876 4.120 0.002 0.000 0.248 58 V C 2.996 179.106 176.094 0.027 0.000 1.055 58 V CA 1.542 63.856 62.300 0.024 0.000 1.049 58 V CB -1.161 30.678 31.823 0.027 0.000 0.662 58 V HN 0.575 nan 8.190 nan 0.000 0.455 59 A N -0.243 122.593 122.820 0.026 0.000 1.930 59 A HA 0.001 4.323 4.320 0.002 0.000 0.217 59 A C 2.388 179.986 177.584 0.024 0.000 1.175 59 A CA 1.856 53.909 52.037 0.027 0.000 0.627 59 A CB -0.618 18.398 19.000 0.026 0.000 0.815 59 A HN 0.537 nan 8.150 nan 0.000 0.443 60 A N 0.174 123.006 122.820 0.021 0.000 1.832 60 A HA -0.035 4.286 4.320 0.002 0.000 0.214 60 A C 1.353 178.950 177.584 0.021 0.000 1.200 60 A CA 1.078 53.127 52.037 0.020 0.000 0.610 60 A CB -0.360 18.650 19.000 0.016 0.000 0.842 60 A HN 0.399 nan 8.150 nan 0.000 0.444 61 K N 0.097 120.510 120.400 0.020 0.000 2.083 61 K HA 0.345 4.666 4.320 0.002 0.000 0.246 61 K C -1.491 175.124 176.600 0.025 0.000 1.160 61 K CA 0.064 56.364 56.287 0.021 0.000 1.060 61 K CB -0.330 32.182 32.500 0.020 0.000 1.417 61 K HN 0.257 nan 8.250 nan 0.000 0.329 62 L N 1.783 123.021 121.223 0.026 0.000 2.543 62 L HA 0.249 4.591 4.340 0.002 0.000 0.265 62 L C -0.984 175.903 176.870 0.029 0.000 0.945 62 L CA -0.559 54.298 54.840 0.029 0.000 0.869 62 L CB 1.688 43.765 42.059 0.030 0.000 1.294 62 L HN 0.289 nan 8.230 nan 0.000 0.405 63 D N 1.448 121.867 120.400 0.031 0.000 2.361 63 D HA 0.142 4.783 4.640 0.002 0.000 0.239 63 D C 1.039 177.359 176.300 0.033 0.000 1.200 63 D CA 0.701 54.720 54.000 0.031 0.000 0.915 63 D CB 1.261 42.081 40.800 0.033 0.000 1.170 63 D HN 0.774 nan 8.370 nan 0.000 0.444 64 T N -1.878 112.696 114.554 0.033 0.000 2.915 64 T HA -0.128 4.224 4.350 0.002 0.000 0.269 64 T C 1.338 176.063 174.700 0.041 0.000 1.071 64 T CA 0.983 63.104 62.100 0.035 0.000 1.132 64 T CB -0.086 68.802 68.868 0.034 0.000 0.878 64 T HN 0.379 nan 8.240 nan 0.000 0.479 65 E N 1.204 121.430 120.200 0.043 0.000 2.107 65 E HA -0.099 4.253 4.350 0.002 0.000 0.191 65 E C 1.974 178.603 176.600 0.049 0.000 0.982 65 E CA 1.147 57.578 56.400 0.052 0.000 0.809 65 E CB -0.089 29.644 29.700 0.054 0.000 0.756 65 E HN 0.502 nan 8.360 nan 0.000 0.459 66 D N 0.922 121.348 120.400 0.042 0.000 2.178 66 D HA -0.116 4.525 4.640 0.002 0.000 0.202 66 D C 1.616 177.936 176.300 0.033 0.000 0.974 66 D CA 0.953 54.976 54.000 0.038 0.000 0.841 66 D CB -0.032 40.790 40.800 0.037 0.000 0.953 66 D HN 0.104 nan 8.370 nan 0.000 0.478 67 K N 0.264 120.684 120.400 0.034 0.000 2.097 67 K HA -0.045 4.277 4.320 0.002 0.000 0.206 67 K C 2.265 178.882 176.600 0.028 0.000 1.049 67 K CA 0.573 56.878 56.287 0.030 0.000 0.933 67 K CB -0.055 32.465 32.500 0.032 0.000 0.717 67 K HN 0.149 nan 8.250 nan 0.000 0.442 68 L N 0.334 121.579 121.223 0.036 0.000 2.093 68 L HA -0.122 4.219 4.340 0.002 0.000 0.208 68 L C 2.688 179.571 176.870 0.021 0.000 1.085 68 L CA 0.979 55.841 54.840 0.038 0.000 0.755 68 L CB -0.337 41.755 42.059 0.056 0.000 0.904 68 L HN 0.173 nan 8.230 nan 0.000 0.435 69 R N 0.390 120.902 120.500 0.021 0.000 2.075 69 R HA -0.144 4.198 4.340 0.002 0.000 0.232 69 R C 2.353 178.646 176.300 -0.011 0.000 1.126 69 R CA 1.342 57.446 56.100 0.007 0.000 0.963 69 R CB -0.180 30.133 30.300 0.022 0.000 0.858 69 R HN 0.329 nan 8.270 nan 0.000 0.435 70 A N 0.682 123.499 122.820 -0.004 0.000 1.933 70 A HA -0.104 4.217 4.320 0.002 0.000 0.218 70 A C 2.301 179.855 177.584 -0.050 0.000 1.175 70 A CA 1.661 53.686 52.037 -0.021 0.000 0.628 70 A CB -0.626 18.375 19.000 0.002 0.000 0.814 70 A HN 0.516 nan 8.150 nan 0.000 0.444 71 A N -0.697 122.106 122.820 -0.028 0.000 1.898 71 A HA -0.090 4.232 4.320 0.002 0.000 0.216 71 A C 2.268 179.822 177.584 -0.051 0.000 1.181 71 A CA 1.839 53.858 52.037 -0.030 0.000 0.620 71 A CB -0.507 18.500 19.000 0.012 0.000 0.819 71 A HN 0.622 nan 8.150 nan 0.000 0.442 72 M N -0.687 118.894 119.600 -0.032 0.000 2.067 72 M HA -0.104 4.377 4.480 0.002 0.000 0.260 72 M C 2.053 178.269 176.300 -0.139 0.000 1.069 72 M CA 2.156 57.448 55.300 -0.015 0.000 1.117 72 M CB -0.205 32.410 32.600 0.024 0.000 1.334 72 M HN 0.212 nan 8.290 nan 0.000 0.407 73 V N 0.646 120.451 119.914 -0.181 0.000 2.594 73 V HA -0.143 3.979 4.120 0.002 0.000 0.253 73 V C 2.082 177.867 176.094 -0.515 0.000 1.069 73 V CA 2.236 64.326 62.300 -0.350 0.000 1.082 73 V CB -1.130 30.569 31.823 -0.207 0.000 0.680 73 V HN 0.724 nan 8.190 nan 0.000 0.469 74 G N -0.592 108.002 108.800 -0.343 0.000 2.433 74 G HA2 -0.254 3.707 3.960 0.002 0.000 0.216 74 G HA3 -0.254 3.707 3.960 0.002 0.000 0.216 74 G C 1.526 176.162 174.900 -0.439 0.000 1.186 74 G CA 1.162 46.049 45.100 -0.355 0.000 0.779 74 G HN 0.392 nan 8.290 nan 0.000 0.543 75 M N 0.267 119.626 119.600 -0.402 0.000 2.159 75 M HA 0.079 4.561 4.480 0.002 0.000 0.263 75 M C 2.540 178.307 176.300 -0.888 0.000 1.063 75 M CA 0.675 55.597 55.300 -0.630 0.000 1.110 75 M CB -0.888 31.470 32.600 -0.402 0.000 1.374 75 M HN 0.101 nan 8.290 nan 0.000 0.411 76 L N -0.207 120.624 121.223 -0.654 0.000 2.042 76 L HA -0.162 4.180 4.340 0.002 0.000 0.210 76 L C 2.647 179.114 176.870 -0.671 0.000 1.076 76 L CA 1.997 56.466 54.840 -0.618 0.000 0.749 76 L CB -1.756 39.857 42.059 -0.743 0.000 0.893 76 L HN 0.248 nan 8.230 nan 0.000 0.432 77 A N 0.035 122.284 122.820 -0.952 0.000 1.933 77 A HA -0.211 4.110 4.320 0.002 0.000 0.218 77 A C 2.047 179.334 177.584 -0.496 0.000 1.175 77 A CA 1.681 53.321 52.037 -0.662 0.000 0.628 77 A CB -0.479 18.147 19.000 -0.624 0.000 0.814 77 A HN 0.445 nan 8.150 nan 0.000 0.444 78 N N -0.159 118.170 118.700 -0.618 0.000 2.058 78 N HA -0.127 4.614 4.740 0.002 0.000 0.191 78 N C 1.267 176.246 175.510 -0.885 0.000 1.037 78 N CA 1.636 54.210 53.050 -0.794 0.000 0.848 78 N CB -0.736 37.369 38.487 -0.637 0.000 1.021 78 N HN 0.452 nan 8.380 nan 0.000 0.422 79 F N 0.733 120.501 119.950 -0.303 0.000 2.216 79 F HA 0.003 4.532 4.527 0.002 0.000 0.300 79 F C 2.119 177.879 175.800 -0.067 0.000 1.085 79 F CA 0.080 58.055 58.000 -0.042 0.000 1.326 79 F CB -1.044 37.991 39.000 0.059 0.000 1.027 79 F HN 0.010 nan 8.300 nan 0.000 0.497 80 L N 0.583 121.831 121.223 0.042 0.000 2.046 80 L HA 0.015 4.356 4.340 0.002 0.000 0.208 80 L C 2.452 179.326 176.870 0.007 0.000 1.077 80 L CA 2.096 56.971 54.840 0.060 0.000 0.747 80 L CB -1.471 40.661 42.059 0.121 0.000 0.896 80 L HN 0.127 nan 8.230 nan 0.000 0.432 81 G N -1.056 107.649 108.800 -0.158 0.000 2.418 81 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 81 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 81 G C 1.314 176.265 174.900 0.085 0.000 1.158 81 G CA 0.976 45.995 45.100 -0.134 0.000 0.771 81 G HN 0.415 nan 8.290 nan 0.000 0.545 82 F N 0.643 120.710 119.950 0.195 0.000 2.206 82 F HA 0.210 4.738 4.527 0.002 0.000 0.298 82 F C 2.733 178.659 175.800 0.210 0.000 1.090 82 F CA 0.383 58.527 58.000 0.240 0.000 1.323 82 F CB -0.679 38.443 39.000 0.203 0.000 1.028 82 F HN -0.008 nan 8.300 nan 0.000 0.492 83 R N 0.450 121.133 120.500 0.304 0.000 2.091 83 R HA -0.158 4.183 4.340 0.002 0.000 0.238 83 R C 2.208 178.575 176.300 0.111 0.000 1.136 83 R CA 1.621 57.827 56.100 0.177 0.000 0.959 83 R CB -0.719 29.657 30.300 0.126 0.000 0.856 83 R HN 0.285 nan 8.270 nan 0.000 0.437 84 I N -0.470 120.166 120.570 0.109 0.000 2.614 84 I HA -0.259 3.912 4.170 0.002 0.000 0.258 84 I C 1.672 177.780 176.117 -0.015 0.000 1.189 84 I CA 0.748 62.068 61.300 0.034 0.000 1.462 84 I CB -0.132 37.891 38.000 0.039 0.000 1.092 84 I HN 0.177 nan 8.210 nan 0.000 0.442 85 Y N 1.529 121.794 120.300 -0.059 0.000 2.632 85 Y HA -0.023 4.528 4.550 0.002 0.000 0.301 85 Y C 2.208 177.950 175.900 -0.263 0.000 1.172 85 Y CA 0.460 58.441 58.100 -0.199 0.000 1.328 85 Y CB -0.478 37.926 38.460 -0.094 0.000 1.016 85 Y HN 0.093 nan 8.280 nan 0.000 0.529 86 G N -0.218 108.431 108.800 -0.252 0.000 2.586 86 G HA2 -0.223 3.738 3.960 0.002 0.000 0.215 86 G HA3 -0.223 3.738 3.960 0.002 0.000 0.215 86 G C 1.518 175.853 174.900 -0.941 0.000 1.128 86 G CA 0.501 45.266 45.100 -0.558 0.000 0.774 86 G HN 0.406 nan 8.290 nan 0.000 0.543 87 M N -0.412 118.793 119.600 -0.658 0.000 2.296 87 M HA -0.009 4.472 4.480 0.002 0.000 0.265 87 M C 0.349 176.295 176.300 -0.590 0.000 1.064 87 M CA 0.715 55.688 55.300 -0.545 0.000 1.109 87 M CB -0.285 32.074 32.600 -0.401 0.000 1.396 87 M HN 0.379 nan 8.290 nan 0.000 0.430 88 H N 0.481 119.202 119.070 -0.582 0.000 2.969 88 H HA -0.094 4.463 4.556 0.002 0.000 0.347 88 H C 0.779 175.757 175.328 -0.583 0.000 1.235 88 H CA 0.717 56.405 56.048 -0.600 0.000 1.179 88 H CB -2.166 27.412 29.762 -0.306 0.000 1.578 88 H HN 0.656 nan 8.280 nan 0.000 0.431 89 S N -1.628 113.584 115.700 -0.813 0.000 3.382 89 S HA -0.247 4.224 4.470 0.002 0.000 0.293 89 S C 0.748 175.065 174.600 -0.472 0.000 1.262 89 S CA 1.844 59.646 58.200 -0.662 0.000 0.969 89 S CB -1.120 61.891 63.200 -0.314 0.000 1.136 89 S HN 0.603 nan 8.310 nan 0.000 0.635 90 E N 0.354 120.288 120.200 -0.443 0.000 2.481 90 E HA 0.477 4.828 4.350 0.002 0.000 0.198 90 E C 1.675 178.101 176.600 -0.290 0.000 1.027 90 E CA 0.388 56.625 56.400 -0.273 0.000 0.900 90 E CB -0.063 29.522 29.700 -0.192 0.000 0.993 90 E HN 0.715 nan 8.360 nan 0.000 0.482 91 L N -0.368 120.562 121.223 -0.488 0.000 2.046 91 L HA -0.146 4.195 4.340 0.002 0.000 0.208 91 L C 1.602 178.342 176.870 -0.216 0.000 1.077 91 L CA 1.039 55.633 54.840 -0.411 0.000 0.747 91 L CB -0.337 41.372 42.059 -0.583 0.000 0.896 91 L HN 0.368 nan 8.230 nan 0.000 0.432 92 W N 0.248 121.484 121.300 -0.107 0.000 2.519 92 W HA 0.065 4.727 4.660 0.003 0.000 0.266 92 W C 2.349 178.816 176.519 -0.087 0.000 1.253 92 W CA 0.701 57.995 57.345 -0.084 0.000 1.274 92 W CB -1.593 27.827 29.460 -0.067 0.000 1.114 92 W HN 0.185 nan 8.180 nan 0.000 0.596 93 G N 0.936 109.778 108.800 0.070 0.000 2.475 93 G HA2 -0.217 3.745 3.960 0.002 0.000 0.220 93 G HA3 -0.217 3.745 3.960 0.002 0.000 0.220 93 G C 0.779 175.658 174.900 -0.034 0.000 1.125 93 G CA 0.599 45.704 45.100 0.008 0.000 0.755 93 G HN 0.035 nan 8.290 nan 0.000 0.565 94 V N 2.105 122.000 119.914 -0.030 0.000 2.180 94 V HA 0.101 4.222 4.120 0.002 0.000 0.238 94 V C 0.366 176.324 176.094 -0.226 0.000 1.337 94 V CA -0.316 61.944 62.300 -0.066 0.000 1.338 94 V CB 0.340 32.215 31.823 0.086 0.000 1.431 94 V HN 0.074 nan 8.190 nan 0.000 0.498 95 V N 5.486 125.160 119.914 -0.400 0.000 2.287 95 V HA 0.210 4.332 4.120 0.002 0.000 0.246 95 V C 0.126 175.909 176.094 -0.517 0.000 1.165 95 V CA -0.045 62.073 62.300 -0.304 0.000 1.088 95 V CB -1.019 30.717 31.823 -0.145 0.000 1.242 95 V HN 0.764 nan 8.190 nan 0.000 0.497 96 H N 2.985 122.129 119.070 0.123 0.000 3.078 96 H HA 0.555 5.112 4.556 0.002 0.000 0.319 96 H C 0.631 176.036 175.328 0.128 0.000 0.995 96 H CA 0.232 56.352 56.048 0.120 0.000 1.417 96 H CB 1.629 31.469 29.762 0.130 0.000 1.598 96 H HN 0.723 nan 8.280 nan 0.000 0.515 97 G N 2.041 110.953 108.800 0.187 0.000 2.562 97 G HA2 -0.118 3.843 3.960 0.002 0.000 0.250 97 G HA3 -0.118 3.843 3.960 0.002 0.000 0.250 97 G C -0.130 174.820 174.900 0.083 0.000 1.269 97 G CA -0.250 44.932 45.100 0.137 0.000 0.919 97 G HN 0.871 nan 8.290 nan 0.000 0.574 98 A N -0.079 122.778 122.820 0.062 0.000 2.388 98 A HA 0.674 4.996 4.320 0.002 0.000 0.257 98 A C 1.239 178.844 177.584 0.035 0.000 1.095 98 A CA 1.172 53.211 52.037 0.004 0.000 0.791 98 A CB 0.030 19.009 19.000 -0.035 0.000 1.029 98 A HN 2.263 nan 8.150 nan 0.000 0.489 99 T N 0.161 114.691 114.554 -0.039 0.000 3.162 99 T HA 0.410 4.762 4.350 0.002 0.000 0.264 99 T C -0.285 174.440 174.700 0.041 0.000 0.959 99 T CA -0.144 61.950 62.100 -0.010 0.000 1.118 99 T CB -0.611 68.076 68.868 -0.302 0.000 0.979 99 T HN 1.529 nan 8.240 nan 0.000 0.679 100 V N 5.763 125.744 119.914 0.112 0.000 2.789 100 V HA 0.639 4.760 4.120 0.002 0.000 0.300 100 V C -1.167 175.014 176.094 0.145 0.000 1.184 100 V CA -1.155 61.205 62.300 0.099 0.000 0.930 100 V CB 1.837 33.696 31.823 0.060 0.000 1.041 100 V HN 0.996 nan 8.190 nan 0.000 0.430 101 L N 3.618 124.880 121.223 0.064 0.000 2.341 101 L HA 0.893 5.234 4.340 0.002 0.000 0.267 101 L C -0.518 176.405 176.870 0.088 0.000 1.009 101 L CA -0.374 54.442 54.840 -0.041 0.000 0.819 101 L CB 2.311 44.089 42.059 -0.467 0.000 1.323 101 L HN 0.640 nan 8.230 nan 0.000 0.425 102 S N 2.084 117.865 115.700 0.135 0.000 2.528 102 S HA 0.476 4.947 4.470 0.002 0.000 0.303 102 S C -1.739 172.802 174.600 -0.098 0.000 1.123 102 S CA -1.531 56.564 58.200 -0.176 0.000 1.138 102 S CB 0.778 63.774 63.200 -0.339 0.000 0.984 102 S HN 0.639 nan 8.310 nan 0.000 0.474 103 P HA -0.167 nan 4.420 nan 0.000 0.216 103 P C 1.730 178.961 177.300 -0.114 0.000 1.154 103 P CA 1.764 64.781 63.100 -0.139 0.000 0.865 103 P CB -0.319 31.226 31.700 -0.257 0.000 0.789 104 T N -2.867 111.564 114.554 -0.205 0.000 2.821 104 T HA -0.008 4.343 4.350 0.002 0.000 0.267 104 T C 1.952 176.669 174.700 0.029 0.000 1.046 104 T CA 1.244 63.245 62.100 -0.165 0.000 1.139 104 T CB -1.127 67.527 68.868 -0.357 0.000 0.871 104 T HN 0.028 nan 8.240 nan 0.000 0.454 105 A N 1.171 124.008 122.820 0.028 0.000 1.897 105 A HA 0.160 4.481 4.320 0.002 0.000 0.215 105 A C 2.622 180.307 177.584 0.168 0.000 1.181 105 A CA 1.278 53.411 52.037 0.160 0.000 0.620 105 A CB -1.057 18.021 19.000 0.130 0.000 0.821 105 A HN 0.378 nan 8.150 nan 0.000 0.443 106 V N -1.060 118.947 119.914 0.155 0.000 2.233 106 V HA -0.283 3.838 4.120 0.002 0.000 0.247 106 V C 2.276 178.425 176.094 0.093 0.000 1.050 106 V CA 2.370 64.766 62.300 0.160 0.000 1.010 106 V CB -0.986 30.943 31.823 0.176 0.000 0.637 106 V HN 0.625 nan 8.190 nan 0.000 0.444 107 F N 1.578 121.490 119.950 -0.063 0.000 2.091 107 F HA -0.154 4.374 4.527 0.002 0.000 0.299 107 F C 2.184 177.881 175.800 -0.173 0.000 1.103 107 F CA 1.969 59.894 58.000 -0.124 0.000 1.228 107 F CB -0.868 38.033 39.000 -0.166 0.000 0.984 107 F HN 0.145 nan 8.300 nan 0.000 0.477 108 G N -1.596 107.188 108.800 -0.026 0.000 2.433 108 G HA2 -0.315 3.647 3.960 0.002 0.000 0.216 108 G HA3 -0.315 3.647 3.960 0.002 0.000 0.216 108 G C 1.648 176.297 174.900 -0.419 0.000 1.186 108 G CA 1.265 46.107 45.100 -0.431 0.000 0.779 108 G HN 0.408 nan 8.290 nan 0.000 0.543 109 T N 0.150 114.669 114.554 -0.058 0.000 2.759 109 T HA -0.047 4.304 4.350 0.002 0.000 0.269 109 T C 2.337 176.949 174.700 -0.147 0.000 1.042 109 T CA 1.383 63.525 62.100 0.071 0.000 1.140 109 T CB -0.188 68.797 68.868 0.195 0.000 0.864 109 T HN 0.184 nan 8.240 nan 0.000 0.455 110 L N 0.119 121.230 121.223 -0.187 0.000 2.072 110 L HA 0.134 4.475 4.340 0.002 0.000 0.205 110 L C 2.792 179.479 176.870 -0.304 0.000 1.079 110 L CA 1.307 56.013 54.840 -0.223 0.000 0.752 110 L CB -0.516 41.411 42.059 -0.220 0.000 0.906 110 L HN 0.335 nan 8.230 nan 0.000 0.436 111 A N -0.686 121.860 122.820 -0.456 0.000 2.015 111 A HA -0.172 4.149 4.320 0.002 0.000 0.219 111 A C 2.390 179.841 177.584 -0.221 0.000 1.163 111 A CA 1.606 53.388 52.037 -0.426 0.000 0.646 111 A CB -0.551 18.092 19.000 -0.594 0.000 0.806 111 A HN 0.610 nan 8.150 nan 0.000 0.448 112 S N -0.063 115.472 115.700 -0.274 0.000 2.414 112 S HA 0.023 4.495 4.470 0.002 0.000 0.227 112 S C 1.769 176.259 174.600 -0.184 0.000 1.022 112 S CA 1.022 59.100 58.200 -0.204 0.000 0.958 112 S CB -0.600 62.564 63.200 -0.061 0.000 0.797 112 S HN 0.449 nan 8.310 nan 0.000 0.493 113 L N -0.095 120.944 121.223 -0.306 0.000 2.141 113 L HA -0.018 4.323 4.340 0.002 0.000 0.209 113 L C 2.537 179.393 176.870 -0.024 0.000 1.094 113 L CA 1.550 56.262 54.840 -0.214 0.000 0.763 113 L CB -0.710 41.207 42.059 -0.238 0.000 0.908 113 L HN 0.347 nan 8.230 nan 0.000 0.437 114 Y N 0.840 121.058 120.300 -0.137 0.000 2.256 114 Y HA -0.284 4.267 4.550 0.002 0.000 0.288 114 Y C 2.384 178.270 175.900 -0.022 0.000 1.155 114 Y CA 1.318 59.360 58.100 -0.098 0.000 1.203 114 Y CB -0.029 38.342 38.460 -0.149 0.000 0.980 114 Y HN 0.034 nan 8.280 nan 0.000 0.530 115 L N -0.205 120.986 121.223 -0.055 0.000 1.990 115 L HA -0.207 4.135 4.340 0.002 0.000 0.213 115 L C 1.797 178.695 176.870 0.046 0.000 1.072 115 L CA 1.297 56.127 54.840 -0.016 0.000 0.755 115 L CB -1.080 41.029 42.059 0.085 0.000 0.889 115 L HN 0.395 nan 8.230 nan 0.000 0.432 116 G N -0.259 108.623 108.800 0.137 0.000 3.213 116 G HA2 0.476 4.438 3.960 0.002 0.000 0.263 116 G HA3 0.476 4.438 3.960 0.002 0.000 0.263 116 G C -0.432 174.403 174.900 -0.108 0.000 0.829 116 G CA 0.428 45.493 45.100 -0.058 0.000 1.983 116 G HN 0.339 nan 8.290 nan 0.000 0.616 117 A N 1.577 124.309 122.820 -0.147 0.000 2.480 117 A HA 0.661 4.983 4.320 0.002 0.000 0.289 117 A C -0.478 177.006 177.584 -0.166 0.000 1.044 117 A CA -0.629 51.320 52.037 -0.147 0.000 0.761 117 A CB 0.951 19.863 19.000 -0.146 0.000 1.289 117 A HN 0.335 nan 8.150 nan 0.000 0.401 118 L N 1.288 122.449 121.223 -0.103 0.000 2.657 118 L HA 0.454 4.795 4.340 0.002 0.000 0.240 118 L C 0.823 177.639 176.870 -0.091 0.000 1.151 118 L CA -0.731 54.054 54.840 -0.090 0.000 0.831 118 L CB 0.039 42.071 42.059 -0.046 0.000 1.539 118 L HN 0.786 nan 8.230 nan 0.000 0.511 119 D N -1.205 119.133 120.400 -0.102 0.000 2.429 119 D HA -0.119 4.523 4.640 0.002 0.000 0.233 119 D C 0.542 176.781 176.300 -0.101 0.000 1.202 119 D CA 0.338 54.220 54.000 -0.197 0.000 0.879 119 D CB 0.098 40.734 40.800 -0.273 0.000 1.212 119 D HN 0.713 nan 8.370 nan 0.000 0.465 120 H N -0.315 118.692 119.070 -0.106 0.000 4.803 120 H HA -0.248 4.309 4.556 0.002 0.000 0.060 120 H C 1.734 177.020 175.328 -0.069 0.000 0.602 120 H CA 2.190 58.197 56.048 -0.069 0.000 0.950 120 H CB -1.953 27.785 29.762 -0.040 0.000 0.516 120 H HN 0.575 nan 8.280 nan 0.000 0.809 121 T N 2.017 116.619 114.554 0.080 0.000 2.708 121 T HA 0.022 4.374 4.350 0.002 0.000 0.266 121 T C 2.120 176.822 174.700 0.004 0.000 1.037 121 T CA 2.275 64.386 62.100 0.018 0.000 1.146 121 T CB -0.560 68.308 68.868 -0.001 0.000 0.865 121 T HN 0.626 nan 8.240 nan 0.000 0.435 122 A N 1.646 124.454 122.820 -0.021 0.000 1.930 122 A HA -0.099 4.222 4.320 0.002 0.000 0.217 122 A C 1.975 179.587 177.584 0.047 0.000 1.175 122 A CA 1.696 53.760 52.037 0.044 0.000 0.627 122 A CB -0.573 18.352 19.000 -0.124 0.000 0.815 122 A HN 0.366 nan 8.150 nan 0.000 0.443 123 D N -0.746 119.568 120.400 -0.143 0.000 2.310 123 D HA -0.042 4.599 4.640 0.002 0.000 0.212 123 D C 2.109 178.309 176.300 -0.166 0.000 0.965 123 D CA 0.836 54.617 54.000 -0.365 0.000 0.879 123 D CB -0.122 40.336 40.800 -0.570 0.000 0.921 123 D HN 0.459 nan 8.370 nan 0.000 0.510 124 R N -0.328 120.150 120.500 -0.037 0.000 2.057 124 R HA 0.176 4.517 4.340 0.002 0.000 0.224 124 R C 2.321 178.618 176.300 -0.005 0.000 1.136 124 R CA 0.363 56.474 56.100 0.018 0.000 0.968 124 R CB -0.289 30.017 30.300 0.009 0.000 0.863 124 R HN 0.118 nan 8.270 nan 0.000 0.433 125 L N 1.021 122.237 121.223 -0.012 0.000 2.079 125 L HA -0.257 4.084 4.340 0.002 0.000 0.210 125 L C 2.690 179.477 176.870 -0.139 0.000 1.081 125 L CA 1.339 56.153 54.840 -0.043 0.000 0.752 125 L CB -0.502 41.581 42.059 0.041 0.000 0.896 125 L HN 0.237 nan 8.230 nan 0.000 0.433 126 Q N 0.538 120.247 119.800 -0.151 0.000 2.047 126 Q HA -0.297 4.044 4.340 0.002 0.000 0.211 126 Q C 2.152 178.093 176.000 -0.100 0.000 1.005 126 Q CA 2.824 58.486 55.803 -0.235 0.000 0.866 126 Q CB -0.332 28.288 28.738 -0.197 0.000 0.938 126 Q HN 0.458 nan 8.270 nan 0.000 0.414 127 A N 0.071 122.907 122.820 0.027 0.000 1.873 127 A HA -0.090 4.231 4.320 0.002 0.000 0.215 127 A C 2.212 179.805 177.584 0.015 0.000 1.186 127 A CA 1.428 53.518 52.037 0.089 0.000 0.616 127 A CB -0.759 18.344 19.000 0.172 0.000 0.823 127 A HN 0.526 nan 8.150 nan 0.000 0.442 128 I N -0.140 120.421 120.570 -0.015 0.000 2.151 128 I HA -0.317 3.854 4.170 0.002 0.000 0.243 128 I C 2.399 178.488 176.117 -0.047 0.000 1.080 128 I CA 1.387 62.669 61.300 -0.029 0.000 1.339 128 I CB -0.440 37.531 38.000 -0.049 0.000 1.039 128 I HN 0.308 nan 8.210 nan 0.000 0.409 129 L N -0.058 121.090 121.223 -0.125 0.000 2.079 129 L HA -0.190 4.151 4.340 0.002 0.000 0.210 129 L C 1.914 178.799 176.870 0.024 0.000 1.081 129 L CA 1.648 56.397 54.840 -0.151 0.000 0.752 129 L CB -0.599 41.231 42.059 -0.382 0.000 0.896 129 L HN 0.612 nan 8.230 nan 0.000 0.433 130 G N -1.943 106.838 108.800 -0.031 0.000 2.624 130 G HA2 -0.190 3.771 3.960 0.002 0.000 0.190 130 G HA3 -0.190 3.771 3.960 0.002 0.000 0.190 130 G C 0.114 174.962 174.900 -0.087 0.000 1.008 130 G CA -0.174 44.912 45.100 -0.023 0.000 0.731 130 G HN -0.005 nan 8.290 nan 0.000 0.478 131 V N 4.155 123.967 119.914 -0.170 0.000 2.415 131 V HA 0.352 4.473 4.120 0.002 0.000 0.267 131 V C -1.373 174.652 176.094 -0.116 0.000 1.042 131 V CA -0.816 61.340 62.300 -0.240 0.000 1.000 131 V CB 0.913 32.574 31.823 -0.271 0.000 1.015 131 V HN 0.191 nan 8.190 nan 0.000 0.478 132 P HA 0.188 nan 4.420 nan 0.000 0.273 132 P C -0.554 176.893 177.300 0.245 0.000 1.250 132 P CA -0.188 62.971 63.100 0.099 0.000 0.793 132 P CB 0.603 32.377 31.700 0.122 0.000 1.011 133 W N -1.169 120.187 121.300 0.093 0.000 3.039 133 W HA 0.783 5.444 4.660 0.002 0.000 0.354 133 W C -1.669 174.920 176.519 0.116 0.000 1.206 133 W CA -0.943 56.479 57.345 0.128 0.000 1.134 133 W CB 1.140 30.648 29.460 0.081 0.000 1.493 133 W HN 0.306 nan 8.180 nan 0.000 0.591 134 K N 0.333 120.903 120.400 0.284 0.000 2.587 134 K HA 0.175 4.497 4.320 0.002 0.000 0.276 134 K C -0.286 176.456 176.600 0.238 0.000 0.956 134 K CA -0.011 56.295 56.287 0.033 0.000 0.857 134 K CB 1.318 33.834 32.500 0.028 0.000 1.431 134 K HN 0.546 nan 8.250 nan 0.000 0.420 135 D N 1.846 122.331 120.400 0.141 0.000 2.837 135 D HA -0.203 4.438 4.640 0.002 0.000 0.195 135 D C -0.604 175.847 176.300 0.251 0.000 1.033 135 D CA 1.656 55.756 54.000 0.167 0.000 1.021 135 D CB -0.598 40.280 40.800 0.130 0.000 1.101 135 D HN 0.855 nan 8.370 nan 0.000 0.431 136 K N -0.663 120.021 120.400 0.474 0.000 3.160 136 K HA -0.210 4.112 4.320 0.002 0.000 0.280 136 K C -0.063 176.613 176.600 0.127 0.000 1.154 136 K CA 1.076 57.549 56.287 0.310 0.000 0.822 136 K CB -1.278 31.349 32.500 0.211 0.000 1.239 136 K HN 0.323 nan 8.250 nan 0.000 0.489 137 N N -0.102 118.691 118.700 0.156 0.000 2.434 137 N HA 0.126 4.867 4.740 0.002 0.000 0.266 137 N C 1.095 176.642 175.510 0.061 0.000 1.223 137 N CA -0.407 52.697 53.050 0.090 0.000 0.972 137 N CB 0.985 39.532 38.487 0.101 0.000 1.207 137 N HN 0.193 nan 8.380 nan 0.000 0.525 138 c N 0.082 118.696 118.600 0.024 0.000 2.466 138 c HA -0.082 4.489 4.570 0.002 0.000 0.278 138 c C 2.382 176.506 174.090 0.058 0.000 1.288 138 c CA 1.187 57.506 56.329 -0.017 0.000 1.722 138 c CB -1.121 41.350 42.510 -0.066 0.000 2.017 138 c HN 0.766 nan 8.230 nan 0.000 0.488 139 T N 0.711 115.317 114.554 0.087 0.000 2.737 139 T HA -0.148 4.203 4.350 0.002 0.000 0.269 139 T C 1.864 176.673 174.700 0.182 0.000 1.040 139 T CA 2.166 64.344 62.100 0.131 0.000 1.142 139 T CB -0.352 68.574 68.868 0.097 0.000 0.861 139 T HN 0.651 nan 8.240 nan 0.000 0.456 140 S N 0.453 116.267 115.700 0.190 0.000 2.461 140 S HA 0.117 4.588 4.470 0.002 0.000 0.228 140 S C 1.015 175.784 174.600 0.281 0.000 1.005 140 S CA 0.258 58.616 58.200 0.264 0.000 0.942 140 S CB 0.038 63.424 63.200 0.309 0.000 0.776 140 S HN 0.427 nan 8.310 nan 0.000 0.514 141 R N 1.303 121.937 120.500 0.223 0.000 2.539 141 R HA 0.215 4.556 4.340 0.002 0.000 0.275 141 R C -0.102 176.385 176.300 0.311 0.000 1.077 141 R CA -0.362 55.868 56.100 0.216 0.000 1.097 141 R CB 0.292 30.683 30.300 0.152 0.000 1.018 141 R HN 0.161 nan 8.270 nan 0.000 0.483 142 L N 2.440 123.798 121.223 0.226 0.000 2.416 142 L HA 0.086 4.427 4.340 0.002 0.000 0.272 142 L C -0.400 176.599 176.870 0.215 0.000 1.161 142 L CA 0.306 55.204 54.840 0.097 0.000 0.845 142 L CB 1.000 42.910 42.059 -0.248 0.000 1.119 142 L HN 0.603 nan 8.230 nan 0.000 0.464 143 D N 3.639 124.008 120.400 -0.052 0.000 2.347 143 D HA 0.317 4.959 4.640 0.002 0.000 0.235 143 D C 0.621 176.943 176.300 0.036 0.000 1.149 143 D CA 0.121 53.951 54.000 -0.284 0.000 0.850 143 D CB 1.841 42.311 40.800 -0.550 0.000 1.061 143 D HN 0.669 nan 8.370 nan 0.000 0.487 144 A N 4.733 127.698 122.820 0.242 0.000 1.854 144 A HA -0.165 4.157 4.320 0.002 0.000 0.214 144 A C 1.906 179.547 177.584 0.095 0.000 1.192 144 A CA 1.024 53.192 52.037 0.219 0.000 0.611 144 A CB -0.678 18.477 19.000 0.258 0.000 0.832 144 A HN 0.789 nan 8.150 nan 0.000 0.442 145 H N -0.041 119.051 119.070 0.037 0.000 2.390 145 H HA -0.143 4.415 4.556 0.002 0.000 0.298 145 H C 2.032 177.370 175.328 0.017 0.000 1.106 145 H CA 1.933 57.996 56.048 0.025 0.000 1.297 145 H CB 0.009 29.791 29.762 0.033 0.000 1.375 145 H HN 0.496 nan 8.280 nan 0.000 0.509 146 K N 0.184 120.652 120.400 0.112 0.000 2.031 146 K HA -0.063 4.258 4.320 0.002 0.000 0.205 146 K C 2.364 178.993 176.600 0.048 0.000 1.049 146 K CA 0.892 57.214 56.287 0.058 0.000 0.939 146 K CB -0.041 32.468 32.500 0.014 0.000 0.717 146 K HN -0.017 nan 8.250 nan 0.000 0.438 147 V N 2.059 121.994 119.914 0.036 0.000 2.332 147 V HA -0.247 3.874 4.120 0.002 0.000 0.248 147 V C 2.199 178.318 176.094 0.042 0.000 1.055 147 V CA 1.613 63.940 62.300 0.044 0.000 1.038 147 V CB -0.363 31.476 31.823 0.026 0.000 0.651 147 V HN 0.270 nan 8.190 nan 0.000 0.450 148 L N 0.440 121.669 121.223 0.011 0.000 2.027 148 L HA -0.129 4.212 4.340 0.002 0.000 0.206 148 L C 2.672 179.613 176.870 0.119 0.000 1.074 148 L CA 1.906 56.756 54.840 0.017 0.000 0.745 148 L CB -0.743 41.299 42.059 -0.029 0.000 0.898 148 L HN 0.524 nan 8.230 nan 0.000 0.433 149 S N -0.151 115.603 115.700 0.089 0.000 2.453 149 S HA -0.043 4.428 4.470 0.002 0.000 0.231 149 S C 2.069 176.721 174.600 0.086 0.000 1.005 149 S CA 0.623 58.879 58.200 0.094 0.000 0.949 149 S CB -0.282 62.966 63.200 0.079 0.000 0.774 149 S HN 0.331 nan 8.310 nan 0.000 0.510 150 A N 1.472 124.336 122.820 0.073 0.000 1.930 150 A HA 0.200 4.522 4.320 0.002 0.000 0.217 150 A C 2.113 179.735 177.584 0.063 0.000 1.175 150 A CA 1.173 53.243 52.037 0.054 0.000 0.627 150 A CB -0.639 18.381 19.000 0.033 0.000 0.815 150 A HN 0.479 nan 8.150 nan 0.000 0.443 151 L N -0.635 120.650 121.223 0.103 0.000 2.313 151 L HA -0.020 4.321 4.340 0.002 0.000 0.214 151 L C 2.364 179.361 176.870 0.211 0.000 1.119 151 L CA 1.998 56.926 54.840 0.147 0.000 0.809 151 L CB -0.488 41.683 42.059 0.187 0.000 0.933 151 L HN 0.540 nan 8.230 nan 0.000 0.449 152 Q N -0.124 119.798 119.800 0.203 0.000 2.050 152 Q HA -0.156 4.186 4.340 0.002 0.000 0.202 152 Q C 2.211 178.268 176.000 0.095 0.000 0.980 152 Q CA 2.188 58.072 55.803 0.135 0.000 0.840 152 Q CB -0.377 28.424 28.738 0.105 0.000 0.898 152 Q HN 0.488 nan 8.270 nan 0.000 0.424 153 A N 0.271 123.140 122.820 0.081 0.000 1.892 153 A HA -0.191 4.130 4.320 0.002 0.000 0.218 153 A C 2.278 179.903 177.584 0.067 0.000 1.188 153 A CA 2.316 54.390 52.037 0.062 0.000 0.631 153 A CB -1.463 17.566 19.000 0.049 0.000 0.822 153 A HN 0.652 nan 8.150 nan 0.000 0.447 154 V N -2.163 117.793 119.914 0.069 0.000 2.594 154 V HA -0.314 3.808 4.120 0.002 0.000 0.253 154 V C 2.046 178.253 176.094 0.188 0.000 1.069 154 V CA 2.370 64.716 62.300 0.078 0.000 1.082 154 V CB -1.161 30.655 31.823 -0.011 0.000 0.680 154 V HN 0.647 nan 8.190 nan 0.000 0.469 155 Q N 1.237 121.147 119.800 0.183 0.000 2.049 155 Q HA 0.029 4.371 4.340 0.002 0.000 0.198 155 Q C 2.459 178.521 176.000 0.102 0.000 0.971 155 Q CA 1.643 57.566 55.803 0.201 0.000 0.833 155 Q CB -0.663 28.160 28.738 0.140 0.000 0.896 155 Q HN 0.731 nan 8.270 nan 0.000 0.434 156 G N 0.778 109.621 108.800 0.072 0.000 2.432 156 G HA2 -0.225 3.737 3.960 0.002 0.000 0.219 156 G HA3 -0.225 3.737 3.960 0.002 0.000 0.219 156 G C 1.292 176.215 174.900 0.037 0.000 1.135 156 G CA 0.549 45.674 45.100 0.042 0.000 0.767 156 G HN 0.109 nan 8.290 nan 0.000 0.550 157 L N 0.151 121.406 121.223 0.054 0.000 2.083 157 L HA 0.080 4.421 4.340 0.002 0.000 0.209 157 L C 2.651 179.542 176.870 0.035 0.000 1.083 157 L CA 1.049 55.917 54.840 0.045 0.000 0.752 157 L CB -0.844 41.245 42.059 0.050 0.000 0.899 157 L HN 0.304 nan 8.230 nan 0.000 0.433 158 L N -1.147 120.097 121.223 0.034 0.000 1.988 158 L HA -0.062 4.279 4.340 0.002 0.000 0.207 158 L C 1.273 178.115 176.870 -0.046 0.000 1.071 158 L CA 0.897 55.708 54.840 -0.048 0.000 0.744 158 L CB -0.017 41.876 42.059 -0.277 0.000 0.893 158 L HN -0.012 nan 8.230 nan 0.000 0.433 159 V N 1.254 121.137 119.914 -0.052 0.000 2.149 159 V HA 0.327 4.449 4.120 0.002 0.000 0.245 159 V C 0.847 176.925 176.094 -0.027 0.000 1.349 159 V CA 0.476 62.736 62.300 -0.065 0.000 1.289 159 V CB -0.199 31.574 31.823 -0.084 0.000 1.401 159 V HN 0.534 nan 8.190 nan 0.000 0.501 160 A N 3.620 126.435 122.820 -0.009 0.000 2.164 160 A HA 0.546 4.867 4.320 0.002 0.000 0.218 160 A C 1.367 178.958 177.584 0.012 0.000 2.050 160 A CA 1.097 53.138 52.037 0.008 0.000 0.910 160 A CB -0.428 18.585 19.000 0.021 0.000 1.391 160 A HN 1.788 nan 8.150 nan 0.000 0.614 161 Q N -0.911 118.905 119.800 0.025 0.000 2.459 161 Q HA -0.079 4.262 4.340 0.002 0.000 0.314 161 Q C 1.590 177.607 176.000 0.028 0.000 1.432 161 Q CA 1.670 57.492 55.803 0.032 0.000 0.823 161 Q CB -2.802 25.950 28.738 0.023 0.000 1.124 161 Q HN 2.228 nan 8.270 nan 0.000 0.392 162 G N 0.953 109.772 108.800 0.031 0.000 2.484 162 G HA2 -0.189 3.773 3.960 0.002 0.000 0.215 162 G HA3 -0.189 3.773 3.960 0.002 0.000 0.215 162 G C 1.479 176.395 174.900 0.028 0.000 1.219 162 G CA 1.272 46.388 45.100 0.028 0.000 0.791 162 G HN 1.348 nan 8.290 nan 0.000 0.550 163 R N 0.312 120.832 120.500 0.032 0.000 2.236 163 R HA 0.442 4.783 4.340 0.002 0.000 0.208 163 R C 2.495 178.813 176.300 0.031 0.000 1.036 163 R CA 1.157 57.276 56.100 0.031 0.000 1.001 163 R CB -0.296 30.024 30.300 0.034 0.000 0.896 163 R HN 0.259 nan 8.270 nan 0.000 0.464 164 A N 1.453 124.294 122.820 0.035 0.000 1.897 164 A HA -0.154 4.167 4.320 0.002 0.000 0.215 164 A C 1.270 178.869 177.584 0.026 0.000 1.181 164 A CA 1.538 53.596 52.037 0.035 0.000 0.620 164 A CB -0.427 18.598 19.000 0.042 0.000 0.821 164 A HN 0.544 nan 8.150 nan 0.000 0.443 165 D N -2.015 118.398 120.400 0.022 0.000 4.137 165 D HA -0.184 4.457 4.640 0.002 0.000 0.214 165 D C 0.777 177.085 176.300 0.013 0.000 1.236 165 D CA 1.982 55.992 54.000 0.016 0.000 2.360 165 D CB -1.630 39.179 40.800 0.016 0.000 1.205 165 D HN 0.435 nan 8.370 nan 0.000 0.406 166 S N -0.033 115.676 115.700 0.015 0.000 2.612 166 S HA 0.133 4.604 4.470 0.002 0.000 0.253 166 S C -0.073 174.533 174.600 0.009 0.000 1.346 166 S CA -0.161 58.047 58.200 0.012 0.000 0.976 166 S CB 0.353 63.562 63.200 0.016 0.000 0.949 166 S HN 0.351 nan 8.310 nan 0.000 0.584 167 Q N 0.720 120.522 119.800 0.004 0.000 2.242 167 Q HA 0.116 4.457 4.340 0.002 0.000 0.284 167 Q C 1.057 177.055 176.000 -0.003 0.000 1.130 167 Q CA -0.059 55.741 55.803 -0.005 0.000 0.940 167 Q CB 0.192 28.925 28.738 -0.010 0.000 1.146 167 Q HN 0.751 nan 8.270 nan 0.000 0.388 168 A N 3.602 126.416 122.820 -0.010 0.000 2.067 168 A HA -0.164 4.157 4.320 0.002 0.000 0.219 168 A C 1.781 179.350 177.584 -0.026 0.000 1.158 168 A CA 1.854 53.890 52.037 -0.002 0.000 0.661 168 A CB -0.475 18.520 19.000 -0.009 0.000 0.801 168 A HN 0.989 nan 8.150 nan 0.000 0.452 169 Q N -2.150 117.610 119.800 -0.066 0.000 2.347 169 Q HA -0.211 4.131 4.340 0.002 0.000 0.159 169 Q C 0.602 176.470 176.000 -0.220 0.000 0.568 169 Q CA 1.481 57.224 55.803 -0.099 0.000 1.340 169 Q CB -3.102 25.610 28.738 -0.043 0.000 1.236 169 Q HN 1.858 nan 8.270 nan 0.000 0.988 170 L N -1.625 119.425 121.223 -0.289 0.000 2.312 170 L HA 0.911 5.252 4.340 0.002 0.000 0.281 170 L C 0.255 176.857 176.870 -0.447 0.000 1.070 170 L CA -0.904 53.620 54.840 -0.527 0.000 0.805 170 L CB 1.422 43.108 42.059 -0.621 0.000 1.174 170 L HN 0.491 nan 8.230 nan 0.000 0.434 171 L N 4.591 125.456 121.223 -0.597 0.000 2.401 171 L HA 0.608 4.949 4.340 0.002 0.000 0.266 171 L C -1.473 175.128 176.870 -0.448 0.000 0.991 171 L CA -0.882 53.725 54.840 -0.389 0.000 0.818 171 L CB 2.311 44.223 42.059 -0.245 0.000 1.321 171 L HN 0.729 nan 8.230 nan 0.000 0.413 172 L N 3.105 124.218 121.223 -0.184 0.000 2.518 172 L HA 0.489 4.831 4.340 0.002 0.000 0.262 172 L C -1.110 175.793 176.870 0.054 0.000 0.982 172 L CA 0.178 55.001 54.840 -0.029 0.000 0.873 172 L CB 1.706 43.805 42.059 0.067 0.000 1.198 172 L HN 0.465 nan 8.230 nan 0.000 0.427 173 S N 1.981 117.739 115.700 0.097 0.000 2.525 173 S HA 0.861 5.333 4.470 0.002 0.000 0.290 173 S C -0.339 174.377 174.600 0.193 0.000 1.152 173 S CA -0.414 57.881 58.200 0.160 0.000 1.072 173 S CB 1.441 64.799 63.200 0.264 0.000 1.027 173 S HN 0.664 nan 8.310 nan 0.000 0.500 174 T N -0.771 113.875 114.554 0.154 0.000 3.078 174 T HA 0.472 4.823 4.350 0.002 0.000 0.328 174 T C -0.561 174.189 174.700 0.083 0.000 0.987 174 T CA -0.832 61.343 62.100 0.125 0.000 1.049 174 T CB 0.072 68.941 68.868 0.002 0.000 1.011 174 T HN 0.515 nan 8.240 nan 0.000 0.463 175 V N 0.650 120.675 119.914 0.185 0.000 2.370 175 V HA 0.811 4.932 4.120 0.002 0.000 0.283 175 V C -0.278 175.907 176.094 0.151 0.000 1.023 175 V CA -0.902 61.471 62.300 0.121 0.000 0.857 175 V CB 1.284 33.170 31.823 0.104 0.000 0.985 175 V HN 0.653 nan 8.190 nan 0.000 0.443 176 V N 5.682 125.619 119.914 0.039 0.000 2.334 176 V HA 0.616 4.737 4.120 0.002 0.000 0.267 176 V C 1.207 177.227 176.094 -0.124 0.000 1.040 176 V CA 0.329 62.619 62.300 -0.016 0.000 0.866 176 V CB 0.880 32.661 31.823 -0.071 0.000 1.019 176 V HN 1.134 nan 8.190 nan 0.000 0.468 177 G N 3.551 112.326 108.800 -0.043 0.000 2.370 177 G HA2 0.478 4.440 3.960 0.002 0.000 0.272 177 G HA3 0.478 4.440 3.960 0.002 0.000 0.272 177 G C -0.495 174.098 174.900 -0.511 0.000 1.208 177 G CA -0.224 44.693 45.100 -0.304 0.000 0.856 177 G HN 0.574 nan 8.290 nan 0.000 0.500 178 V N 3.468 122.967 119.914 -0.692 0.000 2.383 178 V HA 0.222 4.343 4.120 0.002 0.000 0.261 178 V C -0.911 174.996 176.094 -0.311 0.000 0.987 178 V CA -0.696 61.367 62.300 -0.395 0.000 0.853 178 V CB -0.138 31.565 31.823 -0.200 0.000 1.095 178 V HN 0.588 nan 8.190 nan 0.000 0.461 179 F N 2.673 122.668 119.950 0.075 0.000 2.405 179 F HA 0.449 4.978 4.527 0.003 0.000 0.358 179 F C 1.374 177.282 175.800 0.181 0.000 1.151 179 F CA -0.370 57.706 58.000 0.127 0.000 1.161 179 F CB 0.837 39.950 39.000 0.189 0.000 1.245 179 F HN 0.433 nan 8.300 nan 0.000 0.545 180 T N 0.172 114.858 114.554 0.219 0.000 2.881 180 T HA 0.802 5.153 4.350 0.002 0.000 0.278 180 T C 0.348 175.185 174.700 0.229 0.000 0.982 180 T CA -0.918 61.250 62.100 0.114 0.000 0.989 180 T CB 1.541 70.402 68.868 -0.011 0.000 1.058 180 T HN 0.598 nan 8.240 nan 0.000 0.529 181 A N 1.389 124.270 122.820 0.101 0.000 2.280 181 A HA 0.653 4.974 4.320 0.002 0.000 0.268 181 A C -2.430 175.208 177.584 0.089 0.000 1.111 181 A CA -1.789 50.352 52.037 0.174 0.000 0.814 181 A CB -0.857 18.177 19.000 0.057 0.000 1.093 181 A HN 0.729 nan 8.150 nan 0.000 0.498 182 P HA 0.347 nan 4.420 nan 0.000 0.276 182 P C 0.576 177.874 177.300 -0.004 0.000 1.235 182 P CA 1.458 64.571 63.100 0.022 0.000 0.772 182 P CB 0.748 32.464 31.700 0.027 0.000 0.871 183 G N 2.584 111.351 108.800 -0.055 0.000 2.147 183 G HA2 -0.252 3.710 3.960 0.002 0.000 0.244 183 G HA3 -0.252 3.710 3.960 0.002 0.000 0.244 183 G C -0.245 174.635 174.900 -0.034 0.000 1.005 183 G CA -0.342 44.722 45.100 -0.060 0.000 0.713 183 G HN 0.577 nan 8.290 nan 0.000 0.515 184 L N 2.122 123.290 121.223 -0.091 0.000 2.288 184 L HA 0.371 4.712 4.340 0.002 0.000 0.283 184 L C 0.471 177.254 176.870 -0.146 0.000 1.072 184 L CA -0.919 53.884 54.840 -0.063 0.000 0.862 184 L CB 0.152 42.170 42.059 -0.069 0.000 1.245 184 L HN 0.248 nan 8.230 nan 0.000 0.432 185 H N 6.431 125.431 119.070 -0.116 0.000 3.224 185 H HA 0.102 4.659 4.556 0.002 0.000 0.265 185 H C -0.128 175.061 175.328 -0.230 0.000 1.461 185 H CA -0.611 55.345 56.048 -0.154 0.000 1.509 185 H CB 0.056 29.767 29.762 -0.085 0.000 1.686 185 H HN 0.465 nan 8.280 nan 0.000 0.514 186 L N 0.237 121.273 121.223 -0.311 0.000 2.397 186 L HA 0.291 4.633 4.340 0.002 0.000 0.271 186 L C 0.190 176.831 176.870 -0.381 0.000 1.148 186 L CA -0.432 54.195 54.840 -0.355 0.000 0.825 186 L CB 0.634 42.461 42.059 -0.387 0.000 1.117 186 L HN 0.121 nan 8.230 nan 0.000 0.456 187 K N 1.427 121.732 120.400 -0.158 0.000 2.202 187 K HA 0.106 4.428 4.320 0.002 0.000 0.264 187 K C 0.588 177.308 176.600 0.200 0.000 1.010 187 K CA -0.383 55.915 56.287 0.018 0.000 0.940 187 K CB 1.064 33.589 32.500 0.042 0.000 0.983 187 K HN 0.739 nan 8.250 nan 0.000 0.475 188 Q N 3.193 123.172 119.800 0.297 0.000 1.990 188 Q HA -0.079 4.262 4.340 0.002 0.000 0.200 188 Q C -1.016 175.157 176.000 0.287 0.000 0.980 188 Q CA 1.800 57.831 55.803 0.381 0.000 0.832 188 Q CB -0.993 27.909 28.738 0.273 0.000 0.897 188 Q HN 0.431 nan 8.270 nan 0.000 0.427 189 P HA -0.158 nan 4.420 nan 0.000 0.219 189 P C 1.134 178.569 177.300 0.225 0.000 1.146 189 P CA 1.042 64.265 63.100 0.205 0.000 0.808 189 P CB -0.326 31.481 31.700 0.179 0.000 0.779 190 F N 1.417 121.430 119.950 0.106 0.000 2.134 190 F HA -0.181 4.347 4.527 0.002 0.000 0.299 190 F C 1.968 177.824 175.800 0.094 0.000 1.097 190 F CA 1.402 59.447 58.000 0.075 0.000 1.264 190 F CB -0.785 38.247 39.000 0.054 0.000 1.001 190 F HN -0.312 nan 8.300 nan 0.000 0.479 191 V N 0.425 120.471 119.914 0.220 0.000 2.515 191 V HA -0.282 3.840 4.120 0.002 0.000 0.250 191 V C 2.233 178.336 176.094 0.015 0.000 1.058 191 V CA 2.048 64.429 62.300 0.136 0.000 1.064 191 V CB -0.899 31.136 31.823 0.353 0.000 0.675 191 V HN 0.409 nan 8.190 nan 0.000 0.461 192 Q N 0.235 120.064 119.800 0.048 0.000 2.167 192 Q HA -0.094 4.247 4.340 0.002 0.000 0.202 192 Q C 2.412 178.383 176.000 -0.049 0.000 0.970 192 Q CA 1.463 57.283 55.803 0.029 0.000 0.855 192 Q CB -0.449 28.342 28.738 0.088 0.000 0.911 192 Q HN 0.730 nan 8.270 nan 0.000 0.438 193 G N 0.884 109.582 108.800 -0.170 0.000 2.421 193 G HA2 -0.244 3.717 3.960 0.002 0.000 0.216 193 G HA3 -0.244 3.717 3.960 0.002 0.000 0.216 193 G C 1.278 176.017 174.900 -0.268 0.000 1.171 193 G CA 0.566 45.429 45.100 -0.396 0.000 0.775 193 G HN 0.151 nan 8.290 nan 0.000 0.543 194 L N 1.466 122.518 121.223 -0.284 0.000 2.127 194 L HA 0.037 4.379 4.340 0.002 0.000 0.211 194 L C 3.258 180.125 176.870 -0.005 0.000 1.089 194 L CA 1.569 56.344 54.840 -0.109 0.000 0.757 194 L CB -0.790 41.195 42.059 -0.122 0.000 0.899 194 L HN 0.290 nan 8.230 nan 0.000 0.434 195 A N -0.978 121.824 122.820 -0.031 0.000 1.940 195 A HA -0.183 4.139 4.320 0.002 0.000 0.219 195 A C 2.209 179.802 177.584 0.015 0.000 1.176 195 A CA 1.579 53.613 52.037 -0.005 0.000 0.631 195 A CB -0.660 18.339 19.000 -0.001 0.000 0.814 195 A HN 0.323 nan 8.150 nan 0.000 0.446 196 L N -1.971 119.263 121.223 0.018 0.000 2.093 196 L HA -0.136 4.205 4.340 0.002 0.000 0.208 196 L C 2.405 179.343 176.870 0.113 0.000 1.085 196 L CA 1.652 56.521 54.840 0.049 0.000 0.755 196 L CB -0.900 41.175 42.059 0.028 0.000 0.904 196 L HN 0.599 nan 8.230 nan 0.000 0.435 197 Y N -0.488 119.797 120.300 -0.024 0.000 2.184 197 Y HA -0.016 4.536 4.550 0.002 0.000 0.290 197 Y C 1.199 177.117 175.900 0.030 0.000 1.129 197 Y CA 1.023 59.129 58.100 0.009 0.000 1.144 197 Y CB -0.038 38.430 38.460 0.012 0.000 0.995 197 Y HN 0.127 nan 8.280 nan 0.000 0.513 198 T N -0.309 114.173 114.554 -0.120 0.000 2.956 198 T HA 0.347 4.698 4.350 0.002 0.000 0.312 198 T C -2.371 172.283 174.700 -0.076 0.000 1.151 198 T CA -1.840 60.144 62.100 -0.194 0.000 1.024 198 T CB 1.737 70.403 68.868 -0.337 0.000 1.140 198 T HN -0.175 nan 8.240 nan 0.000 0.473 199 P HA 0.043 nan 4.420 nan 0.000 0.216 199 P C 0.370 177.649 177.300 -0.035 0.000 1.153 199 P CA 0.550 63.631 63.100 -0.031 0.000 0.848 199 P CB 0.041 31.727 31.700 -0.023 0.000 0.787 200 V N 1.329 121.219 119.914 -0.040 0.000 2.242 200 V HA 0.043 4.165 4.120 0.002 0.000 0.242 200 V C 0.162 176.231 176.094 -0.041 0.000 1.240 200 V CA 0.093 62.372 62.300 -0.036 0.000 1.211 200 V CB -0.392 31.416 31.823 -0.025 0.000 1.338 200 V HN -0.175 nan 8.190 nan 0.000 0.499 201 V N 6.640 126.531 119.914 -0.038 0.000 2.347 201 V HA 0.414 4.535 4.120 0.002 0.000 0.280 201 V C 0.035 176.104 176.094 -0.043 0.000 1.021 201 V CA -0.353 61.920 62.300 -0.044 0.000 0.847 201 V CB 1.657 33.467 31.823 -0.021 0.000 0.990 201 V HN 0.621 nan 8.190 nan 0.000 0.444 202 L N 7.890 129.063 121.223 -0.083 0.000 2.502 202 L HA 0.393 4.734 4.340 0.002 0.000 0.247 202 L C -2.345 174.399 176.870 -0.211 0.000 1.180 202 L CA -1.394 53.400 54.840 -0.076 0.000 0.956 202 L CB 1.678 43.739 42.059 0.003 0.000 1.282 202 L HN 0.441 nan 8.230 nan 0.000 0.470 203 P HA 0.318 nan 4.420 nan 0.000 0.282 203 P C -0.796 176.440 177.300 -0.105 0.000 1.262 203 P CA -0.382 62.640 63.100 -0.129 0.000 0.773 203 P CB 1.418 33.167 31.700 0.083 0.000 0.879 204 R N 1.487 121.872 120.500 -0.191 0.000 2.536 204 R HA 0.344 4.685 4.340 0.002 0.000 0.269 204 R C -0.148 176.154 176.300 0.003 0.000 1.113 204 R CA -0.375 55.661 56.100 -0.108 0.000 0.948 204 R CB 1.562 31.716 30.300 -0.243 0.000 1.237 204 R HN 0.565 nan 8.270 nan 0.000 0.441 205 S N 2.719 118.420 115.700 0.002 0.000 2.600 205 S HA 0.611 5.082 4.470 0.002 0.000 0.265 205 S C -0.424 174.191 174.600 0.024 0.000 1.325 205 S CA -0.519 57.708 58.200 0.044 0.000 1.002 205 S CB 1.261 64.465 63.200 0.005 0.000 0.921 205 S HN 0.433 nan 8.310 nan 0.000 0.554 206 L N 0.434 121.686 121.223 0.049 0.000 2.612 206 L HA 0.520 4.862 4.340 0.002 0.000 0.256 206 L C -1.926 174.888 176.870 -0.094 0.000 0.949 206 L CA -0.339 54.426 54.840 -0.125 0.000 0.867 206 L CB 2.195 44.038 42.059 -0.360 0.000 1.417 206 L HN 0.840 nan 8.230 nan 0.000 0.414 207 D N 2.233 122.532 120.400 -0.169 0.000 2.411 207 D HA 0.260 4.902 4.640 0.002 0.000 0.225 207 D C 0.350 176.565 176.300 -0.141 0.000 1.156 207 D CA 0.249 54.206 54.000 -0.071 0.000 0.874 207 D CB 0.230 40.994 40.800 -0.060 0.000 1.034 207 D HN 0.408 nan 8.370 nan 0.000 0.502 208 F N 1.023 120.959 119.950 -0.023 0.000 2.789 208 F HA -0.025 4.504 4.527 0.003 0.000 0.300 208 F C 2.562 178.352 175.800 -0.016 0.000 1.132 208 F CA 0.515 58.503 58.000 -0.020 0.000 1.404 208 F CB -0.037 38.956 39.000 -0.011 0.000 1.114 208 F HN 0.385 nan 8.300 nan 0.000 0.584 209 T N -2.127 112.503 114.554 0.127 0.000 2.759 209 T HA -0.195 4.157 4.350 0.002 0.000 0.269 209 T C 0.776 175.498 174.700 0.037 0.000 1.042 209 T CA 0.938 63.081 62.100 0.071 0.000 1.140 209 T CB -0.446 68.448 68.868 0.044 0.000 0.864 209 T HN 0.227 nan 8.240 nan 0.000 0.455 210 E N 1.095 121.297 120.200 0.004 0.000 2.014 210 E HA 0.380 4.731 4.350 0.002 0.000 0.275 210 E C 0.647 177.224 176.600 -0.040 0.000 0.997 210 E CA -0.295 56.094 56.400 -0.019 0.000 0.804 210 E CB 1.027 30.706 29.700 -0.036 0.000 1.090 210 E HN 0.376 nan 8.360 nan 0.000 0.401 211 L N 2.258 123.476 121.223 -0.009 0.000 2.072 211 L HA -0.166 4.175 4.340 0.002 0.000 0.205 211 L C 1.427 178.273 176.870 -0.040 0.000 1.079 211 L CA 0.837 55.671 54.840 -0.011 0.000 0.752 211 L CB -0.145 41.933 42.059 0.031 0.000 0.906 211 L HN 0.440 nan 8.230 nan 0.000 0.436 212 D N 0.050 120.433 120.400 -0.029 0.000 2.104 212 D HA -0.158 4.484 4.640 0.002 0.000 0.194 212 D C 2.300 178.568 176.300 -0.053 0.000 0.994 212 D CA 1.226 55.207 54.000 -0.031 0.000 0.830 212 D CB -0.250 40.538 40.800 -0.019 0.000 0.959 212 D HN 0.112 nan 8.370 nan 0.000 0.452 213 V N 1.070 120.945 119.914 -0.065 0.000 2.548 213 V HA -0.122 3.999 4.120 0.002 0.000 0.249 213 V C 2.421 178.437 176.094 -0.130 0.000 1.055 213 V CA 1.479 63.730 62.300 -0.082 0.000 1.065 213 V CB -0.657 31.122 31.823 -0.074 0.000 0.681 213 V HN 0.166 nan 8.190 nan 0.000 0.462 214 A N 0.330 123.044 122.820 -0.176 0.000 1.873 214 A HA -0.032 4.290 4.320 0.002 0.000 0.215 214 A C 2.451 179.886 177.584 -0.247 0.000 1.186 214 A CA 1.848 53.709 52.037 -0.294 0.000 0.616 214 A CB -0.833 17.896 19.000 -0.452 0.000 0.823 214 A HN 0.524 nan 8.150 nan 0.000 0.442 215 A N 0.849 123.572 122.820 -0.161 0.000 1.908 215 A HA -0.216 4.105 4.320 0.002 0.000 0.218 215 A C 2.016 179.546 177.584 -0.090 0.000 1.181 215 A CA 1.907 53.879 52.037 -0.109 0.000 0.627 215 A CB -0.691 18.276 19.000 -0.054 0.000 0.818 215 A HN 0.802 nan 8.150 nan 0.000 0.445 216 E N -1.047 119.106 120.200 -0.079 0.000 2.107 216 E HA -0.161 4.190 4.350 0.002 0.000 0.191 216 E C 1.702 178.261 176.600 -0.068 0.000 0.982 216 E CA 1.012 57.377 56.400 -0.057 0.000 0.809 216 E CB -0.197 29.476 29.700 -0.044 0.000 0.756 216 E HN 0.301 nan 8.360 nan 0.000 0.459 217 K N 0.527 120.866 120.400 -0.101 0.000 2.167 217 K HA -0.013 4.308 4.320 0.002 0.000 0.203 217 K C 2.080 178.612 176.600 -0.113 0.000 1.052 217 K CA 0.449 56.677 56.287 -0.099 0.000 0.956 217 K CB -0.235 32.188 32.500 -0.127 0.000 0.735 217 K HN 0.197 nan 8.250 nan 0.000 0.451 218 I N 2.115 122.565 120.570 -0.200 0.000 2.394 218 I HA -0.245 3.927 4.170 0.002 0.000 0.251 218 I C 1.501 177.549 176.117 -0.115 0.000 1.136 218 I CA 1.548 62.678 61.300 -0.284 0.000 1.425 218 I CB -0.047 37.699 38.000 -0.424 0.000 1.079 218 I HN 0.083 nan 8.210 nan 0.000 0.425 219 D N 0.106 120.468 120.400 -0.063 0.000 2.123 219 D HA -0.125 4.517 4.640 0.002 0.000 0.200 219 D C 2.323 178.604 176.300 -0.032 0.000 0.976 219 D CA 0.989 54.979 54.000 -0.017 0.000 0.831 219 D CB -0.140 40.662 40.800 0.003 0.000 0.974 219 D HN 0.334 nan 8.370 nan 0.000 0.469 220 R N -0.236 120.249 120.500 -0.026 0.000 2.120 220 R HA -0.105 4.236 4.340 0.002 0.000 0.234 220 R C 2.227 178.516 176.300 -0.019 0.000 1.123 220 R CA 0.722 56.805 56.100 -0.028 0.000 0.975 220 R CB -0.321 29.968 30.300 -0.019 0.000 0.866 220 R HN 0.204 nan 8.270 nan 0.000 0.446 221 F N 0.681 120.552 119.950 -0.132 0.000 2.074 221 F HA -0.184 4.344 4.527 0.002 0.000 0.293 221 F C 2.177 177.884 175.800 -0.154 0.000 1.116 221 F CA 1.286 59.215 58.000 -0.119 0.000 1.212 221 F CB 0.005 38.952 39.000 -0.088 0.000 0.998 221 F HN -0.149 nan 8.300 nan 0.000 0.471 222 M N 0.506 119.976 119.600 -0.217 0.000 2.067 222 M HA -0.237 4.245 4.480 0.002 0.000 0.260 222 M C 2.169 178.181 176.300 -0.480 0.000 1.069 222 M CA 1.721 56.758 55.300 -0.437 0.000 1.117 222 M CB -1.566 30.776 32.600 -0.431 0.000 1.334 222 M HN 0.335 nan 8.290 nan 0.000 0.407 223 Q N -0.467 119.142 119.800 -0.319 0.000 2.170 223 Q HA -0.106 4.235 4.340 0.002 0.000 0.203 223 Q C 2.135 177.918 176.000 -0.362 0.000 0.976 223 Q CA 1.616 57.232 55.803 -0.311 0.000 0.858 223 Q CB -0.267 28.374 28.738 -0.162 0.000 0.907 223 Q HN 0.577 nan 8.270 nan 0.000 0.433 224 A N 0.158 122.773 122.820 -0.341 0.000 1.872 224 A HA -0.101 4.220 4.320 0.002 0.000 0.214 224 A C 2.283 179.604 177.584 -0.437 0.000 1.187 224 A CA 1.149 52.986 52.037 -0.332 0.000 0.614 224 A CB -0.461 18.382 19.000 -0.262 0.000 0.826 224 A HN 0.194 nan 8.150 nan 0.000 0.442 225 V N 0.438 119.992 119.914 -0.601 0.000 2.323 225 V HA -0.188 3.933 4.120 0.002 0.000 0.244 225 V C 2.984 178.714 176.094 -0.607 0.000 1.041 225 V CA 2.402 64.329 62.300 -0.621 0.000 1.025 225 V CB -1.263 30.053 31.823 -0.844 0.000 0.656 225 V HN 0.832 nan 8.190 nan 0.000 0.451 226 T N -2.014 112.085 114.554 -0.758 0.000 2.735 226 T HA 0.197 4.548 4.350 0.002 0.000 0.256 226 T C 1.586 175.480 174.700 -1.344 0.000 1.042 226 T CA 1.267 62.675 62.100 -1.154 0.000 1.147 226 T CB -0.211 67.787 68.868 -1.451 0.000 0.865 226 T HN 1.226 nan 8.240 nan 0.000 0.421 227 G N 0.975 109.149 108.800 -1.044 0.000 2.173 227 G HA2 0.016 3.977 3.960 0.002 0.000 0.174 227 G HA3 0.016 3.977 3.960 0.002 0.000 0.174 227 G C -0.417 174.162 174.900 -0.536 0.000 1.025 227 G CA -0.236 44.453 45.100 -0.685 0.000 0.706 227 G HN 1.034 nan 8.290 nan 0.000 0.499 228 W N -1.082 120.008 121.300 -0.350 0.000 3.425 228 W HA 0.782 5.443 4.660 0.001 0.000 0.318 228 W C -0.561 175.757 176.519 -0.335 0.000 1.201 228 W CA -2.451 54.585 57.345 -0.515 0.000 1.212 228 W CB 0.671 29.591 29.460 -0.899 0.000 1.355 228 W HN 0.038 nan 8.180 nan 0.000 0.515 229 K N 2.825 123.215 120.400 -0.015 0.000 2.382 229 K HA 0.290 4.611 4.320 0.002 0.000 0.286 229 K C 0.424 177.207 176.600 0.304 0.000 1.062 229 K CA 0.192 56.561 56.287 0.136 0.000 1.000 229 K CB 0.119 32.724 32.500 0.175 0.000 0.954 229 K HN 0.493 nan 8.250 nan 0.000 0.470 230 T N -0.753 113.981 114.554 0.299 0.000 2.909 230 T HA 0.363 4.714 4.350 0.002 0.000 0.286 230 T C 0.849 175.715 174.700 0.277 0.000 1.002 230 T CA -1.045 61.282 62.100 0.378 0.000 1.074 230 T CB 1.566 70.717 68.868 0.472 0.000 0.984 230 T HN 0.477 nan 8.240 nan 0.000 0.495 231 G N 1.863 110.820 108.800 0.261 0.000 2.852 231 G HA2 0.404 4.365 3.960 0.002 0.000 0.280 231 G HA3 0.404 4.365 3.960 0.002 0.000 0.280 231 G C 0.540 175.528 174.900 0.145 0.000 0.731 231 G CA -0.453 44.765 45.100 0.196 0.000 2.037 231 G HN 1.225 nan 8.290 nan 0.000 0.560 232 C N -0.518 118.858 119.300 0.127 0.000 0.168 232 C HA 0.056 4.517 4.460 0.002 0.000 0.017 232 C C 0.718 175.757 174.990 0.081 0.000 0.171 232 C CA -0.062 59.007 59.018 0.084 0.000 0.499 232 C CB -1.318 26.454 27.740 0.054 0.000 3.212 232 C HN 1.157 nan 8.230 nan 0.000 1.118 233 S N -0.992 114.736 115.700 0.046 0.000 2.552 233 S HA 0.669 5.141 4.470 0.002 0.000 0.272 233 S C -0.498 174.106 174.600 0.006 0.000 1.150 233 S CA 0.286 58.512 58.200 0.044 0.000 0.849 233 S CB 1.159 64.422 63.200 0.104 0.000 1.113 233 S HN 2.433 nan 8.310 nan 0.000 0.458 234 L N 1.863 123.095 121.223 0.014 0.000 3.865 234 L HA -0.091 4.250 4.340 0.002 0.000 0.408 234 L C -0.248 176.627 176.870 0.010 0.000 1.209 234 L CA 0.829 55.686 54.840 0.028 0.000 0.940 234 L CB -0.936 41.129 42.059 0.010 0.000 1.971 234 L HN 0.815 nan 8.230 nan 0.000 0.899 235 M N 0.591 120.174 119.600 -0.029 0.000 2.162 235 M HA 0.453 4.934 4.480 0.002 0.000 0.356 235 M C 1.494 177.776 176.300 -0.030 0.000 1.303 235 M CA 1.108 56.379 55.300 -0.048 0.000 1.116 235 M CB 0.222 32.741 32.600 -0.136 0.000 1.632 235 M HN 0.646 nan 8.290 nan 0.000 0.469 236 G N 4.064 112.870 108.800 0.010 0.000 2.176 236 G HA2 -0.178 3.783 3.960 0.002 0.000 0.252 236 G HA3 -0.178 3.783 3.960 0.002 0.000 0.252 236 G C 0.010 174.932 174.900 0.036 0.000 1.024 236 G CA 0.378 45.497 45.100 0.032 0.000 0.755 236 G HN 1.191 nan 8.290 nan 0.000 0.507 237 A N -0.263 122.583 122.820 0.043 0.000 2.309 237 A HA 0.838 5.160 4.320 0.002 0.000 0.298 237 A C 0.723 178.343 177.584 0.059 0.000 1.165 237 A CA 0.774 52.846 52.037 0.058 0.000 0.821 237 A CB 1.126 20.186 19.000 0.100 0.000 1.102 237 A HN 1.394 nan 8.150 nan 0.000 0.500 238 S N 0.991 116.718 115.700 0.045 0.000 2.600 238 S HA 0.237 4.709 4.470 0.002 0.000 0.265 238 S C 1.394 176.028 174.600 0.057 0.000 1.325 238 S CA -0.305 57.918 58.200 0.039 0.000 1.002 238 S CB 0.650 63.862 63.200 0.020 0.000 0.921 238 S HN 0.630 nan 8.310 nan 0.000 0.554 239 V N 1.774 121.718 119.914 0.050 0.000 2.379 239 V HA -0.035 4.086 4.120 0.002 0.000 0.245 239 V C 1.332 177.460 176.094 0.057 0.000 1.044 239 V CA 1.549 63.887 62.300 0.063 0.000 1.036 239 V CB -0.481 31.369 31.823 0.044 0.000 0.664 239 V HN 0.819 nan 8.190 nan 0.000 0.453 240 D N 1.049 121.465 120.400 0.027 0.000 2.688 240 D HA 0.214 4.855 4.640 0.002 0.000 0.228 240 D C -0.108 176.177 176.300 -0.024 0.000 1.116 240 D CA 0.357 54.362 54.000 0.007 0.000 1.023 240 D CB -0.040 40.761 40.800 0.003 0.000 1.100 240 D HN 0.344 nan 8.370 nan 0.000 0.487 241 S N -0.795 114.875 115.700 -0.050 0.000 2.704 241 S HA 0.568 5.039 4.470 0.002 0.000 0.296 241 S C 0.990 175.410 174.600 -0.300 0.000 1.138 241 S CA -0.549 57.554 58.200 -0.163 0.000 0.875 241 S CB 2.061 65.148 63.200 -0.188 0.000 1.151 241 S HN 0.431 nan 8.310 nan 0.000 0.500 242 T N -1.843 112.456 114.554 -0.425 0.000 3.388 242 T HA 0.325 4.677 4.350 0.002 0.000 0.254 242 T C 0.198 174.525 174.700 -0.622 0.000 1.002 242 T CA -0.229 61.597 62.100 -0.457 0.000 1.164 242 T CB -0.284 68.461 68.868 -0.205 0.000 1.184 242 T HN 0.374 nan 8.240 nan 0.000 0.399 243 L N 2.555 123.556 121.223 -0.370 0.000 2.375 243 L HA 0.737 5.079 4.340 0.002 0.000 0.271 243 L C -0.912 175.857 176.870 -0.168 0.000 1.107 243 L CA -0.333 54.386 54.840 -0.202 0.000 0.806 243 L CB 0.938 42.941 42.059 -0.095 0.000 1.146 243 L HN 0.616 nan 8.230 nan 0.000 0.447 244 A N 5.242 128.102 122.820 0.066 0.000 3.007 244 A HA 0.259 4.580 4.320 0.002 0.000 0.314 244 A C -1.004 176.773 177.584 0.321 0.000 1.153 244 A CA -0.456 51.711 52.037 0.217 0.000 0.780 244 A CB -0.191 19.055 19.000 0.409 0.000 1.258 244 A HN 0.604 nan 8.150 nan 0.000 0.460 245 F N 2.570 122.587 119.950 0.112 0.000 2.464 245 F HA 0.371 4.900 4.527 0.002 0.000 0.353 245 F C -0.267 175.614 175.800 0.135 0.000 1.191 245 F CA 0.038 58.111 58.000 0.121 0.000 1.147 245 F CB 0.238 39.278 39.000 0.067 0.000 1.294 245 F HN 0.470 nan 8.300 nan 0.000 0.583 246 N N 3.237 122.013 118.700 0.127 0.000 2.446 246 N HA 0.251 4.992 4.740 0.002 0.000 0.265 246 N C -0.758 174.820 175.510 0.113 0.000 0.975 246 N CA -0.498 52.645 53.050 0.155 0.000 0.928 246 N CB 1.601 40.279 38.487 0.318 0.000 1.160 246 N HN 0.290 nan 8.380 nan 0.000 0.495 247 T N 2.154 116.742 114.554 0.057 0.000 2.817 247 T HA 0.303 4.655 4.350 0.002 0.000 0.293 247 T C -0.529 174.178 174.700 0.010 0.000 0.964 247 T CA 0.117 62.294 62.100 0.128 0.000 1.085 247 T CB 0.159 69.150 68.868 0.206 0.000 0.921 247 T HN 0.253 nan 8.240 nan 0.000 0.502 248 Y N 1.548 121.951 120.300 0.172 0.000 2.326 248 Y HA 0.565 5.116 4.550 0.002 0.000 0.331 248 Y C 0.028 176.094 175.900 0.277 0.000 0.962 248 Y CA -0.901 57.346 58.100 0.245 0.000 1.167 248 Y CB 1.584 40.221 38.460 0.294 0.000 1.148 248 Y HN 0.400 nan 8.280 nan 0.000 0.463 249 V N 4.024 124.164 119.914 0.376 0.000 2.715 249 V HA 0.556 4.677 4.120 0.002 0.000 0.310 249 V C -1.583 174.670 176.094 0.265 0.000 1.054 249 V CA -0.564 61.938 62.300 0.336 0.000 0.928 249 V CB 1.921 33.956 31.823 0.352 0.000 1.007 249 V HN 0.876 nan 8.190 nan 0.000 0.437 250 H N 4.933 123.985 119.070 -0.029 0.000 2.924 250 H HA 0.510 5.067 4.556 0.002 0.000 0.333 250 H C -1.984 173.245 175.328 -0.166 0.000 0.979 250 H CA -0.496 55.336 56.048 -0.359 0.000 1.326 250 H CB 1.472 30.360 29.762 -1.457 0.000 1.600 250 H HN 0.620 nan 8.280 nan 0.000 0.520 251 F N 4.789 124.284 119.950 -0.758 0.000 2.411 251 F HA 0.361 4.889 4.527 0.002 0.000 0.352 251 F C -0.624 174.584 175.800 -0.986 0.000 1.123 251 F CA -0.422 57.116 58.000 -0.769 0.000 1.044 251 F CB 1.373 39.825 39.000 -0.914 0.000 1.135 251 F HN 0.624 nan 8.300 nan 0.000 0.461 252 Q N 3.949 122.975 119.800 -1.290 0.000 2.282 252 Q HA 0.618 4.960 4.340 0.002 0.000 0.260 252 Q C -0.752 174.479 176.000 -1.281 0.000 0.964 252 Q CA -0.821 54.411 55.803 -0.953 0.000 0.880 252 Q CB 1.791 30.218 28.738 -0.517 0.000 1.286 252 Q HN 0.961 nan 8.270 nan 0.000 0.445 253 G N 3.756 112.074 108.800 -0.803 0.000 3.329 253 G HA2 0.243 4.205 3.960 0.002 0.000 0.313 253 G HA3 0.243 4.205 3.960 0.002 0.000 0.313 253 G C -1.023 173.704 174.900 -0.289 0.000 1.611 253 G CA -0.504 44.193 45.100 -0.671 0.000 0.991 253 G HN 0.478 nan 8.290 nan 0.000 0.508 254 K N 1.741 121.999 120.400 -0.236 0.000 2.276 254 K HA 0.430 4.751 4.320 0.002 0.000 0.283 254 K C 0.096 176.772 176.600 0.127 0.000 1.044 254 K CA 0.106 56.363 56.287 -0.051 0.000 0.944 254 K CB 1.450 33.920 32.500 -0.051 0.000 1.012 254 K HN 0.363 nan 8.250 nan 0.000 0.472 255 M N 3.244 122.891 119.600 0.078 0.000 2.072 255 M HA 0.263 4.744 4.480 0.002 0.000 0.331 255 M C -0.356 176.104 176.300 0.267 0.000 1.004 255 M CA -0.555 54.787 55.300 0.069 0.000 0.952 255 M CB 1.451 33.743 32.600 -0.513 0.000 1.511 255 M HN 0.241 nan 8.290 nan 0.000 0.422 256 K N 1.371 121.950 120.400 0.299 0.000 2.326 256 K HA 0.376 4.697 4.320 0.002 0.000 0.275 256 K C 0.940 177.767 176.600 0.378 0.000 1.018 256 K CA 0.481 56.937 56.287 0.282 0.000 0.962 256 K CB 0.825 33.435 32.500 0.184 0.000 0.953 256 K HN 0.999 nan 8.250 nan 0.000 0.475 257 G N 2.388 111.321 108.800 0.221 0.000 2.171 257 G HA2 -0.241 3.720 3.960 0.002 0.000 0.238 257 G HA3 -0.241 3.720 3.960 0.002 0.000 0.238 257 G C -0.535 174.236 174.900 -0.216 0.000 1.039 257 G CA -0.358 44.754 45.100 0.021 0.000 0.759 257 G HN 0.465 nan 8.290 nan 0.000 0.501 258 F N -0.315 119.666 119.950 0.051 0.000 2.613 258 F HA 0.787 5.315 4.527 0.002 0.000 0.314 258 F C 0.354 176.169 175.800 0.025 0.000 1.075 258 F CA -0.755 57.264 58.000 0.032 0.000 0.945 258 F CB 2.540 41.553 39.000 0.023 0.000 1.310 258 F HN 0.091 nan 8.300 nan 0.000 0.467 259 S N 2.119 117.940 115.700 0.202 0.000 2.533 259 S HA 0.412 4.884 4.470 0.002 0.000 0.271 259 S C -1.814 172.849 174.600 0.104 0.000 1.143 259 S CA -0.632 57.639 58.200 0.118 0.000 0.891 259 S CB 2.076 65.318 63.200 0.069 0.000 1.105 259 S HN 0.560 nan 8.310 nan 0.000 0.468 260 L N 3.864 125.133 121.223 0.078 0.000 2.380 260 L HA 0.501 4.843 4.340 0.002 0.000 0.273 260 L C -1.166 175.735 176.870 0.051 0.000 1.138 260 L CA -0.195 54.681 54.840 0.061 0.000 0.832 260 L CB 0.151 42.237 42.059 0.046 0.000 1.124 260 L HN 0.669 nan 8.230 nan 0.000 0.454 261 L N 5.457 126.711 121.223 0.051 0.000 2.289 261 L HA 0.349 4.691 4.340 0.002 0.000 0.285 261 L C 1.332 178.222 176.870 0.033 0.000 1.049 261 L CA -0.453 54.412 54.840 0.041 0.000 0.804 261 L CB 1.363 43.448 42.059 0.044 0.000 1.195 261 L HN 0.789 nan 8.230 nan 0.000 0.428 262 A N 2.237 125.072 122.820 0.025 0.000 2.014 262 A HA -0.006 4.315 4.320 0.002 0.000 0.218 262 A C 0.761 178.354 177.584 0.015 0.000 1.163 262 A CA 0.829 52.877 52.037 0.019 0.000 0.652 262 A CB -0.095 18.914 19.000 0.016 0.000 0.808 262 A HN 0.704 nan 8.150 nan 0.000 0.449 263 E N 1.319 121.527 120.200 0.014 0.000 2.146 263 E HA 0.342 4.693 4.350 0.002 0.000 0.282 263 E C -2.664 173.940 176.600 0.007 0.000 0.989 263 E CA -2.213 54.191 56.400 0.007 0.000 0.799 263 E CB 0.851 30.553 29.700 0.003 0.000 1.088 263 E HN 0.296 nan 8.360 nan 0.000 0.397 264 P HA 0.117 nan 4.420 nan 0.000 0.286 264 P C 0.193 177.467 177.300 -0.043 0.000 1.269 264 P CA -0.287 62.814 63.100 0.000 0.000 0.787 264 P CB 1.431 33.132 31.700 0.001 0.000 0.920 265 Q N 3.124 122.881 119.800 -0.073 0.000 2.331 265 Q HA -0.043 4.299 4.340 0.002 0.000 0.203 265 Q C 0.228 176.037 176.000 -0.318 0.000 0.944 265 Q CA 1.039 56.738 55.803 -0.173 0.000 0.892 265 Q CB -0.301 28.308 28.738 -0.215 0.000 0.983 265 Q HN 0.716 nan 8.270 nan 0.000 0.482 266 E N -2.799 117.218 120.200 -0.304 0.000 8.710 266 E HA -0.217 4.135 4.350 0.002 0.000 0.468 266 E C -1.459 174.684 176.600 -0.761 0.000 1.162 266 E CA 0.563 56.747 56.400 -0.361 0.000 2.026 266 E CB -1.301 28.147 29.700 -0.421 0.000 1.008 266 E HN 0.125 nan 8.360 nan 0.000 0.263 267 F N -0.038 119.598 119.950 -0.522 0.000 2.629 267 F HA 0.638 5.166 4.527 0.001 0.000 0.316 267 F C -0.376 175.122 175.800 -0.504 0.000 1.081 267 F CA -0.638 57.140 58.000 -0.370 0.000 0.954 267 F CB 1.570 40.522 39.000 -0.080 0.000 1.337 267 F HN 0.332 nan 8.300 nan 0.000 0.474 268 W N 2.477 123.893 121.300 0.195 0.000 2.338 268 W HA 0.330 4.993 4.660 0.004 0.000 0.315 268 W C 0.598 177.179 176.519 0.103 0.000 1.005 268 W CA -0.567 56.843 57.345 0.107 0.000 1.380 268 W CB 1.480 30.975 29.460 0.058 0.000 1.235 268 W HN 0.365 nan 8.180 nan 0.000 0.409 269 V N 2.813 122.856 119.914 0.215 0.000 2.594 269 V HA -0.206 3.916 4.120 0.002 0.000 0.253 269 V C 0.257 176.433 176.094 0.136 0.000 1.069 269 V CA 2.338 64.717 62.300 0.131 0.000 1.082 269 V CB -0.226 31.629 31.823 0.052 0.000 0.680 269 V HN 0.648 nan 8.190 nan 0.000 0.469 270 D N -3.024 117.479 120.400 0.173 0.000 2.583 270 D HA 0.201 4.843 4.640 0.002 0.000 0.248 270 D C 0.754 177.163 176.300 0.182 0.000 1.209 270 D CA -0.128 53.959 54.000 0.145 0.000 0.848 270 D CB 0.173 41.030 40.800 0.096 0.000 1.431 270 D HN 0.008 nan 8.370 nan 0.000 0.436 271 N N 0.527 119.292 118.700 0.107 0.000 2.184 271 N HA -0.297 4.444 4.740 0.002 0.000 0.190 271 N C 1.213 176.783 175.510 0.100 0.000 1.011 271 N CA 2.320 55.403 53.050 0.055 0.000 0.867 271 N CB -0.762 37.733 38.487 0.013 0.000 0.993 271 N HN 0.491 nan 8.380 nan 0.000 0.433 272 S N -0.456 115.318 115.700 0.123 0.000 2.371 272 S HA -0.015 4.457 4.470 0.002 0.000 0.219 272 S C 1.197 175.905 174.600 0.180 0.000 1.040 272 S CA 0.574 58.849 58.200 0.124 0.000 0.958 272 S CB -1.201 62.048 63.200 0.082 0.000 0.860 272 S HN 0.566 nan 8.310 nan 0.000 0.487 273 T N 1.786 116.441 114.554 0.170 0.000 2.904 273 T HA 0.623 4.974 4.350 0.002 0.000 0.290 273 T C -0.014 174.769 174.700 0.137 0.000 1.018 273 T CA -0.297 61.881 62.100 0.129 0.000 1.075 273 T CB 1.292 70.206 68.868 0.076 0.000 0.986 273 T HN 0.597 nan 8.240 nan 0.000 0.523 274 S N 0.206 115.899 115.700 -0.012 0.000 2.634 274 S HA 0.797 5.268 4.470 0.002 0.000 0.296 274 S C -1.081 173.408 174.600 -0.185 0.000 1.104 274 S CA -0.872 57.173 58.200 -0.257 0.000 0.920 274 S CB 1.616 64.609 63.200 -0.345 0.000 1.111 274 S HN 0.841 nan 8.310 nan 0.000 0.493 275 V N 1.146 120.915 119.914 -0.241 0.000 2.733 275 V HA 0.560 4.681 4.120 0.002 0.000 0.306 275 V C -0.118 175.912 176.094 -0.107 0.000 1.084 275 V CA -0.760 61.469 62.300 -0.118 0.000 0.905 275 V CB 1.870 33.662 31.823 -0.053 0.000 1.010 275 V HN 1.016 nan 8.190 nan 0.000 0.424 276 S N 3.574 119.231 115.700 -0.072 0.000 2.455 276 S HA 0.645 5.116 4.470 0.002 0.000 0.278 276 S C -0.612 173.990 174.600 0.002 0.000 1.216 276 S CA -0.096 58.077 58.200 -0.046 0.000 1.055 276 S CB 0.221 63.397 63.200 -0.041 0.000 0.939 276 S HN 0.593 nan 8.310 nan 0.000 0.494 277 V N 7.576 127.525 119.914 0.058 0.000 3.120 277 V HA 0.547 4.669 4.120 0.002 0.000 0.303 277 V C -2.125 174.055 176.094 0.144 0.000 1.238 277 V CA -1.657 60.701 62.300 0.096 0.000 1.008 277 V CB 2.570 34.461 31.823 0.112 0.000 1.064 277 V HN 0.720 nan 8.190 nan 0.000 0.434 278 P HA 0.383 nan 4.420 nan 0.000 0.282 278 P C -0.957 176.445 177.300 0.170 0.000 1.286 278 P CA -0.228 62.928 63.100 0.094 0.000 0.777 278 P CB 0.823 32.548 31.700 0.043 0.000 1.184 279 M N -1.192 118.483 119.600 0.126 0.000 2.683 279 M HA 0.437 4.918 4.480 0.002 0.000 0.274 279 M C -1.354 175.005 176.300 0.100 0.000 1.272 279 M CA -0.642 54.748 55.300 0.150 0.000 0.833 279 M CB 1.872 34.553 32.600 0.136 0.000 1.708 279 M HN 0.198 nan 8.290 nan 0.000 0.463 280 L N 1.564 122.851 121.223 0.107 0.000 2.518 280 L HA 0.325 4.666 4.340 0.002 0.000 0.262 280 L C -0.115 176.854 176.870 0.165 0.000 0.982 280 L CA -0.560 54.363 54.840 0.138 0.000 0.873 280 L CB 1.890 44.021 42.059 0.119 0.000 1.198 280 L HN 0.791 nan 8.230 nan 0.000 0.427 281 S N 1.064 116.826 115.700 0.102 0.000 2.548 281 S HA 0.718 5.190 4.470 0.002 0.000 0.277 281 S C 0.220 174.728 174.600 -0.153 0.000 1.315 281 S CA -0.355 57.828 58.200 -0.028 0.000 1.050 281 S CB 1.643 64.848 63.200 0.008 0.000 0.918 281 S HN 0.670 nan 8.310 nan 0.000 0.497 282 G N 2.888 111.446 108.800 -0.404 0.000 2.707 282 G HA2 0.575 4.537 3.960 0.002 0.000 0.299 282 G HA3 0.575 4.537 3.960 0.002 0.000 0.299 282 G C -0.835 173.798 174.900 -0.445 0.000 1.442 282 G CA -0.895 43.697 45.100 -0.847 0.000 1.009 282 G HN 0.569 nan 8.290 nan 0.000 0.515 283 M N 1.895 121.276 119.600 -0.366 0.000 2.125 283 M HA 0.757 5.238 4.480 0.002 0.000 0.321 283 M C 0.219 176.392 176.300 -0.211 0.000 0.983 283 M CA -1.311 53.894 55.300 -0.159 0.000 0.934 283 M CB 0.638 33.179 32.600 -0.098 0.000 1.542 283 M HN 0.920 nan 8.290 nan 0.000 0.424 284 G N 1.380 109.992 108.800 -0.313 0.000 2.377 284 G HA2 0.410 4.371 3.960 0.002 0.000 0.297 284 G HA3 0.410 4.371 3.960 0.002 0.000 0.297 284 G C -1.181 173.137 174.900 -0.969 0.000 1.547 284 G CA -0.809 43.868 45.100 -0.705 0.000 0.833 284 G HN 0.696 nan 8.290 nan 0.000 0.583 285 T N -0.111 113.998 114.554 -0.742 0.000 2.997 285 T HA 0.672 5.023 4.350 0.002 0.000 0.311 285 T C -0.121 174.318 174.700 -0.436 0.000 1.079 285 T CA -0.435 61.398 62.100 -0.444 0.000 0.982 285 T CB -0.519 68.228 68.868 -0.201 0.000 1.032 285 T HN 0.338 nan 8.240 nan 0.000 0.581 286 F N 0.845 120.834 119.950 0.065 0.000 2.461 286 F HA 0.610 5.139 4.527 0.002 0.000 0.337 286 F C 0.799 176.684 175.800 0.141 0.000 1.079 286 F CA -1.580 56.472 58.000 0.088 0.000 1.032 286 F CB 0.931 39.975 39.000 0.073 0.000 1.327 286 F HN 0.237 nan 8.300 nan 0.000 0.491 287 Q N 0.357 120.400 119.800 0.406 0.000 2.241 287 Q HA 0.381 4.722 4.340 0.002 0.000 0.254 287 Q C -0.883 175.405 176.000 0.480 0.000 0.917 287 Q CA -0.402 55.657 55.803 0.428 0.000 0.919 287 Q CB 1.258 30.270 28.738 0.457 0.000 1.237 287 Q HN 0.577 nan 8.270 nan 0.000 0.434 288 H N 1.602 120.929 119.070 0.427 0.000 3.151 288 H HA 0.397 4.954 4.556 0.003 0.000 0.333 288 H C -2.127 173.432 175.328 0.385 0.000 1.093 288 H CA -0.863 55.282 56.048 0.162 0.000 1.342 288 H CB 0.821 30.631 29.762 0.081 0.000 1.983 288 H HN 0.825 nan 8.280 nan 0.000 0.503 289 W N 3.422 124.554 121.300 -0.280 0.000 3.259 289 W HA 0.542 5.204 4.660 0.003 0.000 0.331 289 W C -1.584 174.868 176.519 -0.112 0.000 1.144 289 W CA -1.039 56.133 57.345 -0.288 0.000 1.227 289 W CB 0.857 30.256 29.460 -0.101 0.000 1.371 289 W HN 0.571 nan 8.180 nan 0.000 0.491 290 S N 1.543 117.247 115.700 0.006 0.000 2.438 290 S HA 0.270 4.742 4.470 0.002 0.000 0.316 290 S C -0.780 173.919 174.600 0.165 0.000 1.084 290 S CA -0.580 57.708 58.200 0.147 0.000 1.107 290 S CB 1.436 64.788 63.200 0.253 0.000 0.981 290 S HN 0.515 nan 8.310 nan 0.000 0.466 291 D N 2.455 122.979 120.400 0.207 0.000 2.339 291 D HA 0.199 4.840 4.640 0.002 0.000 0.256 291 D C 1.007 177.355 176.300 0.079 0.000 1.214 291 D CA -0.766 53.322 54.000 0.146 0.000 0.877 291 D CB 0.424 41.293 40.800 0.116 0.000 1.111 291 D HN 0.511 nan 8.370 nan 0.000 0.478 292 I N 1.298 121.883 120.570 0.025 0.000 3.578 292 I HA 0.016 4.187 4.170 0.002 0.000 0.295 292 I C 1.615 177.734 176.117 0.003 0.000 1.280 292 I CA 0.371 61.652 61.300 -0.031 0.000 1.347 292 I CB -0.510 37.474 38.000 -0.026 0.000 1.051 292 I HN 0.286 nan 8.210 nan 0.000 0.460 293 Q N 1.528 121.343 119.800 0.026 0.000 1.990 293 Q HA -0.105 4.236 4.340 0.002 0.000 0.200 293 Q C 0.825 176.845 176.000 0.034 0.000 0.980 293 Q CA 1.710 57.528 55.803 0.024 0.000 0.832 293 Q CB -0.225 28.525 28.738 0.020 0.000 0.897 293 Q HN 0.579 nan 8.270 nan 0.000 0.427 294 D N 0.038 120.473 120.400 0.060 0.000 2.368 294 D HA 0.087 4.728 4.640 0.002 0.000 0.218 294 D C -0.700 175.701 176.300 0.168 0.000 1.112 294 D CA -0.167 53.892 54.000 0.098 0.000 0.834 294 D CB -0.149 40.709 40.800 0.098 0.000 0.953 294 D HN 0.105 nan 8.370 nan 0.000 0.505 295 N N 0.457 119.231 118.700 0.123 0.000 2.482 295 N HA -0.224 4.518 4.740 0.002 0.000 0.288 295 N C -1.180 174.497 175.510 0.278 0.000 1.319 295 N CA 0.519 53.627 53.050 0.097 0.000 0.671 295 N CB -0.995 37.587 38.487 0.158 0.000 0.911 295 N HN 0.197 nan 8.380 nan 0.000 0.531 296 F N 0.293 120.287 119.950 0.072 0.000 2.675 296 F HA 0.808 5.336 4.527 0.003 0.000 0.324 296 F C -0.501 175.463 175.800 0.274 0.000 1.106 296 F CA -0.134 57.963 58.000 0.161 0.000 0.970 296 F CB 1.954 41.003 39.000 0.081 0.000 1.385 296 F HN 0.256 nan 8.300 nan 0.000 0.489 297 S N 1.281 117.082 115.700 0.169 0.000 2.581 297 S HA 0.607 5.079 4.470 0.002 0.000 0.306 297 S C -2.178 172.448 174.600 0.044 0.000 1.080 297 S CA -0.889 57.439 58.200 0.214 0.000 0.925 297 S CB 0.646 63.988 63.200 0.237 0.000 1.128 297 S HN 0.516 nan 8.310 nan 0.000 0.451 298 V N 2.736 122.689 119.914 0.066 0.000 2.569 298 V HA 0.777 4.898 4.120 0.002 0.000 0.301 298 V C 0.335 176.357 176.094 -0.119 0.000 1.044 298 V CA -0.165 62.089 62.300 -0.077 0.000 0.874 298 V CB 1.723 33.479 31.823 -0.112 0.000 1.002 298 V HN 1.152 nan 8.190 nan 0.000 0.424 299 T N 2.073 116.526 114.554 -0.169 0.000 2.948 299 T HA 0.879 5.230 4.350 0.002 0.000 0.285 299 T C -0.611 174.000 174.700 -0.148 0.000 1.019 299 T CA -0.726 61.275 62.100 -0.164 0.000 1.013 299 T CB 2.150 70.859 68.868 -0.264 0.000 1.117 299 T HN 0.808 nan 8.240 nan 0.000 0.533 300 Q N -0.710 119.005 119.800 -0.142 0.000 2.501 300 Q HA 0.722 5.063 4.340 0.002 0.000 0.288 300 Q C -1.758 174.011 176.000 -0.384 0.000 1.051 300 Q CA -1.320 54.379 55.803 -0.174 0.000 0.788 300 Q CB 2.269 30.984 28.738 -0.040 0.000 1.469 300 Q HN 0.577 nan 8.270 nan 0.000 0.416 301 V N 1.698 121.372 119.914 -0.400 0.000 2.467 301 V HA 0.376 4.497 4.120 0.002 0.000 0.260 301 V C -2.688 173.085 176.094 -0.534 0.000 0.963 301 V CA -1.841 60.160 62.300 -0.497 0.000 0.856 301 V CB 1.059 32.550 31.823 -0.554 0.000 1.087 301 V HN 0.655 nan 8.190 nan 0.000 0.467 302 P HA 0.111 nan 4.420 nan 0.000 0.266 302 P C -0.921 176.135 177.300 -0.406 0.000 1.186 302 P CA 0.542 63.477 63.100 -0.275 0.000 0.767 302 P CB 0.138 31.835 31.700 -0.005 0.000 0.820 303 F N 1.132 121.137 119.950 0.091 0.000 2.310 303 F HA 0.260 4.788 4.527 0.002 0.000 0.365 303 F C 0.954 176.790 175.800 0.060 0.000 1.080 303 F CA -0.237 57.803 58.000 0.066 0.000 1.187 303 F CB -0.515 38.516 39.000 0.052 0.000 1.465 303 F HN 0.448 nan 8.300 nan 0.000 0.496 304 T N -1.193 113.469 114.554 0.180 0.000 4.252 304 T HA -0.359 3.993 4.350 0.002 0.000 0.331 304 T C 0.875 175.641 174.700 0.109 0.000 0.771 304 T CA 1.263 63.439 62.100 0.126 0.000 1.939 304 T CB -2.064 66.871 68.868 0.111 0.000 1.907 304 T HN 0.914 nan 8.240 nan 0.000 0.892 305 E N -0.467 119.797 120.200 0.107 0.000 4.711 305 E HA -0.437 3.915 4.350 0.002 0.000 0.183 305 E C 1.329 177.994 176.600 0.109 0.000 1.334 305 E CA 2.600 59.062 56.400 0.103 0.000 2.263 305 E CB -1.675 28.078 29.700 0.088 0.000 1.886 305 E HN 0.909 nan 8.360 nan 0.000 0.347 306 S N 0.405 116.160 115.700 0.092 0.000 2.426 306 S HA -0.263 4.209 4.470 0.002 0.000 0.259 306 S C 0.725 175.371 174.600 0.076 0.000 1.096 306 S CA 2.182 60.424 58.200 0.069 0.000 1.219 306 S CB -0.341 62.896 63.200 0.062 0.000 1.124 306 S HN 0.675 nan 8.310 nan 0.000 0.436 307 A N -0.649 122.261 122.820 0.149 0.000 2.306 307 A HA 0.624 4.946 4.320 0.002 0.000 0.314 307 A C -0.491 177.277 177.584 0.306 0.000 1.164 307 A CA -0.380 51.801 52.037 0.240 0.000 0.822 307 A CB 0.862 20.050 19.000 0.315 0.000 1.130 307 A HN 0.572 nan 8.150 nan 0.000 0.496 308 C N 2.297 121.782 119.300 0.309 0.000 2.607 308 C HA 0.442 4.904 4.460 0.002 0.000 0.350 308 C C -0.621 174.503 174.990 0.224 0.000 1.101 308 C CA -0.551 58.569 59.018 0.170 0.000 1.282 308 C CB 0.900 28.755 27.740 0.192 0.000 1.825 308 C HN 0.893 nan 8.230 nan 0.000 0.460 309 L N 5.379 126.639 121.223 0.060 0.000 2.295 309 L HA 0.524 4.865 4.340 0.002 0.000 0.288 309 L C -0.527 176.389 176.870 0.077 0.000 1.079 309 L CA 0.329 55.278 54.840 0.181 0.000 0.830 309 L CB -0.063 42.108 42.059 0.187 0.000 1.200 309 L HN 0.554 nan 8.230 nan 0.000 0.438 310 L N 6.345 127.648 121.223 0.134 0.000 2.265 310 L HA 0.346 4.688 4.340 0.002 0.000 0.288 310 L C -0.701 176.237 176.870 0.113 0.000 1.058 310 L CA -0.663 54.222 54.840 0.075 0.000 0.809 310 L CB 1.007 43.106 42.059 0.065 0.000 1.179 310 L HN 0.472 nan 8.230 nan 0.000 0.429 311 L N 5.395 126.650 121.223 0.053 0.000 2.283 311 L HA 0.363 4.704 4.340 0.002 0.000 0.281 311 L C -0.207 176.699 176.870 0.061 0.000 1.033 311 L CA -0.091 54.812 54.840 0.105 0.000 0.848 311 L CB 0.955 42.998 42.059 -0.026 0.000 1.226 311 L HN 0.398 nan 8.230 nan 0.000 0.429 312 I N 2.923 123.573 120.570 0.132 0.000 2.363 312 I HA 0.164 4.335 4.170 0.002 0.000 0.292 312 I C 0.442 176.551 176.117 -0.014 0.000 1.075 312 I CA 0.394 61.715 61.300 0.035 0.000 1.333 312 I CB 0.453 38.502 38.000 0.083 0.000 1.415 312 I HN 0.585 nan 8.210 nan 0.000 0.502 313 Q N 8.917 128.631 119.800 -0.144 0.000 2.290 313 Q HA 0.420 4.762 4.340 0.002 0.000 0.259 313 Q C -2.419 173.432 176.000 -0.248 0.000 0.941 313 Q CA -2.013 53.710 55.803 -0.132 0.000 0.912 313 Q CB 1.672 30.322 28.738 -0.147 0.000 1.244 313 Q HN 0.286 nan 8.270 nan 0.000 0.441 314 P HA 0.041 nan 4.420 nan 0.000 0.282 314 P C -0.294 177.002 177.300 -0.006 0.000 1.274 314 P CA 0.149 63.177 63.100 -0.120 0.000 0.770 314 P CB 1.007 32.701 31.700 -0.009 0.000 0.867 315 H N 3.428 122.481 119.070 -0.029 0.000 2.289 315 H HA -0.200 4.358 4.556 0.002 0.000 0.296 315 H C 1.144 176.487 175.328 0.025 0.000 1.091 315 H CA 2.316 58.382 56.048 0.029 0.000 1.274 315 H CB -0.333 29.501 29.762 0.119 0.000 1.364 315 H HN 0.440 nan 8.280 nan 0.000 0.490 316 Y N -1.295 119.083 120.300 0.130 0.000 2.314 316 Y HA 0.124 4.675 4.550 0.002 0.000 0.294 316 Y C 1.916 177.833 175.900 0.028 0.000 1.119 316 Y CA 0.735 58.877 58.100 0.069 0.000 1.179 316 Y CB 0.250 38.757 38.460 0.077 0.000 1.025 316 Y HN 0.401 nan 8.280 nan 0.000 0.541 317 A N -0.587 122.339 122.820 0.177 0.000 2.899 317 A HA -0.312 4.009 4.320 0.002 0.000 0.257 317 A C 1.701 179.357 177.584 0.120 0.000 1.335 317 A CA 1.072 53.176 52.037 0.111 0.000 0.924 317 A CB -2.288 16.752 19.000 0.066 0.000 1.105 317 A HN 0.406 nan 8.150 nan 0.000 0.765 318 S N -0.518 115.275 115.700 0.155 0.000 2.341 318 S HA 0.091 4.563 4.470 0.002 0.000 0.216 318 S C 0.349 175.005 174.600 0.093 0.000 1.034 318 S CA 1.142 59.413 58.200 0.120 0.000 0.964 318 S CB -0.021 63.254 63.200 0.125 0.000 0.882 318 S HN 0.582 nan 8.310 nan 0.000 0.469 319 D N 1.602 122.057 120.400 0.093 0.000 2.460 319 D HA 0.334 4.976 4.640 0.002 0.000 0.232 319 D C 0.723 177.090 176.300 0.111 0.000 1.079 319 D CA -0.166 53.888 54.000 0.090 0.000 0.864 319 D CB 1.330 42.172 40.800 0.070 0.000 1.048 319 D HN 0.254 nan 8.370 nan 0.000 0.523 320 L N 0.605 121.900 121.223 0.120 0.000 2.049 320 L HA -0.075 4.267 4.340 0.002 0.000 0.203 320 L C 1.432 178.423 176.870 0.202 0.000 1.074 320 L CA 0.678 55.604 54.840 0.144 0.000 0.749 320 L CB -0.117 42.014 42.059 0.120 0.000 0.907 320 L HN 0.150 nan 8.230 nan 0.000 0.439 321 D N 0.923 121.456 120.400 0.221 0.000 2.220 321 D HA -0.208 4.433 4.640 0.002 0.000 0.198 321 D C 2.121 178.543 176.300 0.205 0.000 1.001 321 D CA 1.428 55.579 54.000 0.252 0.000 0.875 321 D CB -0.069 40.849 40.800 0.197 0.000 0.921 321 D HN 0.352 nan 8.370 nan 0.000 0.454 322 K N -0.057 120.439 120.400 0.161 0.000 2.044 322 K HA 0.009 4.330 4.320 0.002 0.000 0.204 322 K C 2.234 178.938 176.600 0.174 0.000 1.049 322 K CA 0.463 56.836 56.287 0.143 0.000 0.945 322 K CB 0.026 32.588 32.500 0.104 0.000 0.724 322 K HN -0.013 nan 8.250 nan 0.000 0.440 323 V N 2.044 122.072 119.914 0.191 0.000 2.323 323 V HA -0.192 3.930 4.120 0.002 0.000 0.244 323 V C 2.416 178.685 176.094 0.291 0.000 1.041 323 V CA 1.635 64.086 62.300 0.252 0.000 1.025 323 V CB -0.368 31.558 31.823 0.172 0.000 0.656 323 V HN 0.379 nan 8.190 nan 0.000 0.451 324 E N 1.091 121.441 120.200 0.251 0.000 2.160 324 E HA -0.209 4.142 4.350 0.002 0.000 0.195 324 E C 2.233 178.950 176.600 0.194 0.000 0.991 324 E CA 1.550 58.120 56.400 0.283 0.000 0.810 324 E CB -0.443 29.485 29.700 0.379 0.000 0.742 324 E HN 0.563 nan 8.360 nan 0.000 0.466 325 G N 1.337 110.230 108.800 0.155 0.000 2.450 325 G HA2 -0.214 3.747 3.960 0.002 0.000 0.220 325 G HA3 -0.214 3.747 3.960 0.002 0.000 0.220 325 G C 1.600 176.505 174.900 0.010 0.000 1.130 325 G CA 0.696 45.822 45.100 0.043 0.000 0.760 325 G HN 0.305 nan 8.290 nan 0.000 0.557 326 L N 1.503 122.787 121.223 0.103 0.000 2.645 326 L HA 0.137 4.479 4.340 0.002 0.000 0.235 326 L C 2.289 179.181 176.870 0.037 0.000 1.150 326 L CA 0.967 55.832 54.840 0.043 0.000 0.911 326 L CB -0.124 41.962 42.059 0.046 0.000 1.077 326 L HN 0.355 nan 8.230 nan 0.000 0.438 327 T N -5.147 109.480 114.554 0.121 0.000 3.044 327 T HA 0.164 4.515 4.350 0.002 0.000 0.260 327 T C 0.660 175.299 174.700 -0.101 0.000 1.019 327 T CA -0.032 62.114 62.100 0.077 0.000 0.921 327 T CB -0.097 68.886 68.868 0.192 0.000 1.053 327 T HN 0.167 nan 8.240 nan 0.000 0.533 328 F N 0.782 120.570 119.950 -0.270 0.000 2.775 328 F HA 0.461 4.989 4.527 0.002 0.000 0.313 328 F C 0.689 176.236 175.800 -0.422 0.000 1.121 328 F CA -1.051 56.819 58.000 -0.216 0.000 1.206 328 F CB 0.940 39.644 39.000 -0.493 0.000 1.052 328 F HN 0.112 nan 8.300 nan 0.000 0.524 329 Q N 2.204 121.793 119.800 -0.352 0.000 2.472 329 Q HA 0.436 4.777 4.340 0.002 0.000 0.227 329 Q C 0.813 176.492 176.000 -0.537 0.000 1.156 329 Q CA 0.803 56.419 55.803 -0.312 0.000 0.924 329 Q CB 0.091 28.729 28.738 -0.165 0.000 1.354 329 Q HN 0.516 nan 8.270 nan 0.000 0.525 330 Q N 2.537 121.958 119.800 -0.633 0.000 2.390 330 Q HA -0.398 3.943 4.340 0.002 0.000 0.453 330 Q C 0.912 176.725 176.000 -0.313 0.000 0.629 330 Q CA 2.460 58.042 55.803 -0.369 0.000 0.939 330 Q CB -2.146 26.530 28.738 -0.102 0.000 2.758 330 Q HN 0.961 nan 8.270 nan 0.000 0.985 331 N N 0.818 119.471 118.700 -0.079 0.000 2.494 331 N HA -0.036 4.706 4.740 0.002 0.000 0.182 331 N C 1.701 177.215 175.510 0.006 0.000 1.076 331 N CA 2.412 55.478 53.050 0.027 0.000 0.908 331 N CB -0.404 38.084 38.487 0.001 0.000 0.967 331 N HN 1.287 nan 8.380 nan 0.000 0.449 332 S N 1.193 116.843 115.700 -0.084 0.000 2.368 332 S HA -0.036 4.436 4.470 0.002 0.000 0.224 332 S C 1.882 176.461 174.600 -0.035 0.000 1.029 332 S CA 0.484 58.661 58.200 -0.038 0.000 0.988 332 S CB -0.435 62.702 63.200 -0.105 0.000 0.838 332 S HN 0.094 nan 8.310 nan 0.000 0.462 333 L N 2.769 123.904 121.223 -0.146 0.000 2.131 333 L HA 0.006 4.347 4.340 0.002 0.000 0.210 333 L C 2.082 178.912 176.870 -0.066 0.000 1.092 333 L CA 1.428 56.193 54.840 -0.126 0.000 0.759 333 L CB -2.222 39.725 42.059 -0.186 0.000 0.903 333 L HN 0.347 nan 8.230 nan 0.000 0.435 334 N N -1.226 117.462 118.700 -0.020 0.000 2.207 334 N HA -0.181 4.561 4.740 0.002 0.000 0.182 334 N C 1.761 177.330 175.510 0.098 0.000 1.020 334 N CA 0.755 53.789 53.050 -0.026 0.000 0.858 334 N CB -0.419 38.112 38.487 0.073 0.000 0.991 334 N HN 0.447 nan 8.380 nan 0.000 0.427 335 W N 1.304 122.586 121.300 -0.031 0.000 2.699 335 W HA 0.156 4.817 4.660 0.002 0.000 0.249 335 W C -0.219 176.323 176.519 0.038 0.000 1.280 335 W CA -0.111 57.235 57.345 0.001 0.000 1.345 335 W CB 0.037 29.493 29.460 -0.007 0.000 1.128 335 W HN 0.021 nan 8.180 nan 0.000 0.642 336 M N 1.984 121.660 119.600 0.128 0.000 2.982 336 M HA -0.070 4.412 4.480 0.002 0.000 0.293 336 M C 0.233 176.719 176.300 0.311 0.000 1.611 336 M CA 1.455 56.882 55.300 0.211 0.000 1.576 336 M CB -0.151 32.538 32.600 0.148 0.000 1.555 336 M HN -0.229 nan 8.290 nan 0.000 0.485 337 K N 1.565 122.023 120.400 0.096 0.000 3.513 337 K HA 0.089 4.411 4.320 0.002 0.000 0.164 337 K C 0.520 176.756 176.600 -0.606 0.000 1.041 337 K CA -0.081 56.151 56.287 -0.093 0.000 0.761 337 K CB 0.452 32.843 32.500 -0.182 0.000 0.811 337 K HN 0.406 nan 8.250 nan 0.000 0.510 338 K N 0.743 120.409 120.400 -1.223 0.000 2.211 338 K HA 0.050 4.371 4.320 0.002 0.000 0.203 338 K C 0.377 176.369 176.600 -1.013 0.000 1.050 338 K CA 0.705 56.264 56.287 -1.213 0.000 0.945 338 K CB 0.147 31.755 32.500 -1.487 0.000 0.732 338 K HN 0.386 nan 8.250 nan 0.000 0.451 339 L N 1.790 122.251 121.223 -1.271 0.000 3.601 339 L HA -0.173 4.168 4.340 0.002 0.000 0.469 339 L C -1.137 175.564 176.870 -0.281 0.000 1.294 339 L CA 0.568 55.116 54.840 -0.485 0.000 0.829 339 L CB -2.459 39.457 42.059 -0.239 0.000 1.628 339 L HN 0.116 nan 8.230 nan 0.000 0.868 340 S N 2.100 117.666 115.700 -0.224 0.000 2.410 340 S HA 0.496 4.967 4.470 0.002 0.000 0.304 340 S C -1.695 173.009 174.600 0.174 0.000 1.095 340 S CA -0.864 57.335 58.200 -0.002 0.000 1.089 340 S CB 1.609 64.819 63.200 0.017 0.000 0.968 340 S HN 0.278 nan 8.310 nan 0.000 0.480 341 P HA 0.421 nan 4.420 nan 0.000 0.277 341 P C -0.533 176.844 177.300 0.129 0.000 1.240 341 P CA -0.623 62.560 63.100 0.137 0.000 0.798 341 P CB 0.875 32.620 31.700 0.075 0.000 0.979 342 R N 0.047 120.634 120.500 0.144 0.000 2.664 342 R HA 0.358 4.699 4.340 0.002 0.000 0.266 342 R C -0.914 175.439 176.300 0.089 0.000 1.046 342 R CA -0.520 55.655 56.100 0.126 0.000 0.885 342 R CB 1.161 31.576 30.300 0.191 0.000 1.254 342 R HN 0.521 nan 8.270 nan 0.000 0.465 343 T N 2.125 116.710 114.554 0.051 0.000 2.738 343 T HA 0.417 4.768 4.350 0.002 0.000 0.293 343 T C 0.287 175.025 174.700 0.064 0.000 0.913 343 T CA -0.453 61.653 62.100 0.011 0.000 1.103 343 T CB 0.074 68.941 68.868 -0.003 0.000 0.880 343 T HN 0.235 nan 8.240 nan 0.000 0.526 344 I N 3.175 123.793 120.570 0.079 0.000 2.498 344 I HA 0.252 4.424 4.170 0.002 0.000 0.290 344 I C -0.191 176.026 176.117 0.166 0.000 1.032 344 I CA -1.125 60.265 61.300 0.150 0.000 1.073 344 I CB 1.522 39.661 38.000 0.233 0.000 1.251 344 I HN 0.841 nan 8.210 nan 0.000 0.426 345 H N 6.062 125.159 119.070 0.044 0.000 2.872 345 H HA 0.445 5.002 4.556 0.002 0.000 0.273 345 H C -0.878 174.468 175.328 0.030 0.000 1.205 345 H CA -0.164 55.897 56.048 0.023 0.000 1.342 345 H CB 0.604 30.360 29.762 -0.011 0.000 1.469 345 H HN 0.561 nan 8.280 nan 0.000 0.487 346 L N 5.252 126.342 121.223 -0.222 0.000 2.380 346 L HA 0.317 4.659 4.340 0.002 0.000 0.273 346 L C -0.505 176.190 176.870 -0.293 0.000 1.138 346 L CA 0.030 54.769 54.840 -0.167 0.000 0.832 346 L CB 0.562 42.623 42.059 0.004 0.000 1.124 346 L HN 0.864 nan 8.230 nan 0.000 0.454 347 T N 3.109 117.564 114.554 -0.166 0.000 3.170 347 T HA 0.568 4.920 4.350 0.002 0.000 0.315 347 T C -0.621 174.051 174.700 -0.047 0.000 0.967 347 T CA -0.813 61.232 62.100 -0.093 0.000 1.024 347 T CB 1.196 70.035 68.868 -0.049 0.000 1.018 347 T HN 0.614 nan 8.240 nan 0.000 0.449 348 M N 0.937 120.539 119.600 0.003 0.000 2.569 348 M HA 0.744 5.226 4.480 0.002 0.000 0.279 348 M C -3.221 173.124 176.300 0.074 0.000 1.253 348 M CA -2.329 52.949 55.300 -0.037 0.000 0.867 348 M CB 2.365 34.834 32.600 -0.218 0.000 1.727 348 M HN 0.133 nan 8.290 nan 0.000 0.467 349 P HA 0.006 nan 4.420 nan 0.000 0.271 349 P C -1.251 176.005 177.300 -0.074 0.000 1.218 349 P CA 0.048 63.095 63.100 -0.088 0.000 0.780 349 P CB 0.567 31.916 31.700 -0.586 0.000 0.901 350 Q N 2.699 122.475 119.800 -0.040 0.000 2.281 350 Q HA 0.152 4.493 4.340 0.002 0.000 0.267 350 Q C -0.902 175.046 176.000 -0.086 0.000 1.053 350 Q CA 0.040 55.816 55.803 -0.046 0.000 0.905 350 Q CB -0.091 28.640 28.738 -0.012 0.000 1.195 350 Q HN 0.454 nan 8.270 nan 0.000 0.398 351 L N 5.021 126.186 121.223 -0.097 0.000 2.265 351 L HA 0.396 4.737 4.340 0.002 0.000 0.289 351 L C -0.233 176.571 176.870 -0.109 0.000 1.033 351 L CA -0.854 53.913 54.840 -0.121 0.000 0.814 351 L CB 1.144 43.118 42.059 -0.142 0.000 1.203 351 L HN 0.420 nan 8.230 nan 0.000 0.423 352 V N 2.842 122.673 119.914 -0.138 0.000 2.658 352 V HA 0.519 4.640 4.120 0.002 0.000 0.259 352 V C -0.721 175.213 176.094 -0.266 0.000 0.933 352 V CA -0.425 61.755 62.300 -0.200 0.000 0.871 352 V CB 0.854 32.616 31.823 -0.101 0.000 1.062 352 V HN 0.597 nan 8.190 nan 0.000 0.479 353 L N 3.589 124.605 121.223 -0.345 0.000 2.409 353 L HA 0.675 5.016 4.340 0.002 0.000 0.262 353 L C 0.087 176.763 176.870 -0.323 0.000 0.992 353 L CA -0.764 53.917 54.840 -0.265 0.000 0.817 353 L CB 2.642 44.615 42.059 -0.144 0.000 1.350 353 L HN 0.697 nan 8.230 nan 0.000 0.411 354 Q N 1.508 121.235 119.800 -0.123 0.000 2.247 354 Q HA 0.688 5.030 4.340 0.002 0.000 0.184 354 Q C -0.330 175.749 176.000 0.132 0.000 1.067 354 Q CA -0.447 55.408 55.803 0.087 0.000 1.115 354 Q CB 1.498 30.402 28.738 0.275 0.000 1.147 354 Q HN 0.718 nan 8.270 nan 0.000 0.599 355 G N 0.222 109.155 108.800 0.221 0.000 1.895 355 G HA2 0.377 4.339 3.960 0.002 0.000 0.302 355 G HA3 0.377 4.339 3.960 0.002 0.000 0.302 355 G C -1.421 173.657 174.900 0.296 0.000 1.691 355 G CA -0.496 44.756 45.100 0.254 0.000 0.929 355 G HN 0.513 nan 8.290 nan 0.000 0.629 356 S N 0.463 116.336 115.700 0.288 0.000 2.593 356 S HA 0.926 5.397 4.470 0.002 0.000 0.297 356 S C -0.938 173.887 174.600 0.376 0.000 1.112 356 S CA -0.582 57.737 58.200 0.197 0.000 1.043 356 S CB 1.212 64.470 63.200 0.097 0.000 1.054 356 S HN 1.188 nan 8.310 nan 0.000 0.516 357 Y N -0.954 119.445 120.300 0.165 0.000 2.376 357 Y HA 0.509 5.060 4.550 0.002 0.000 0.321 357 Y C -1.416 174.557 175.900 0.122 0.000 1.189 357 Y CA -1.195 57.027 58.100 0.203 0.000 1.069 357 Y CB 0.510 39.078 38.460 0.179 0.000 1.292 357 Y HN 0.409 nan 8.280 nan 0.000 0.430 358 D N 4.010 124.530 120.400 0.199 0.000 2.312 358 D HA 0.165 4.806 4.640 0.002 0.000 0.252 358 D C 0.893 177.292 176.300 0.166 0.000 1.150 358 D CA -0.251 53.808 54.000 0.097 0.000 0.870 358 D CB 1.438 42.287 40.800 0.080 0.000 1.153 358 D HN 0.745 nan 8.370 nan 0.000 0.457 359 L N 3.543 124.835 121.223 0.116 0.000 2.079 359 L HA -0.212 4.129 4.340 0.002 0.000 0.210 359 L C 2.279 179.243 176.870 0.157 0.000 1.081 359 L CA 1.557 56.491 54.840 0.157 0.000 0.752 359 L CB -0.841 41.280 42.059 0.103 0.000 0.896 359 L HN 0.689 nan 8.230 nan 0.000 0.433 360 Q N -1.296 118.582 119.800 0.131 0.000 2.224 360 Q HA -0.183 4.159 4.340 0.002 0.000 0.203 360 Q C 1.100 177.177 176.000 0.129 0.000 0.970 360 Q CA 1.437 57.348 55.803 0.181 0.000 0.865 360 Q CB -0.131 28.712 28.738 0.174 0.000 0.922 360 Q HN 0.372 nan 8.270 nan 0.000 0.445 361 D N 0.933 121.405 120.400 0.121 0.000 2.240 361 D HA -0.025 4.616 4.640 0.002 0.000 0.206 361 D C 1.920 178.275 176.300 0.092 0.000 0.963 361 D CA 0.287 54.352 54.000 0.108 0.000 0.863 361 D CB 0.048 40.931 40.800 0.138 0.000 0.973 361 D HN 0.166 nan 8.370 nan 0.000 0.501 362 L N 0.391 121.691 121.223 0.127 0.000 2.093 362 L HA 0.063 4.404 4.340 0.002 0.000 0.208 362 L C 0.326 177.221 176.870 0.042 0.000 1.085 362 L CA 1.007 55.905 54.840 0.096 0.000 0.755 362 L CB -0.236 41.937 42.059 0.190 0.000 0.904 362 L HN -0.052 nan 8.230 nan 0.000 0.435 363 L N 0.132 121.394 121.223 0.065 0.000 2.317 363 L HA 0.636 4.977 4.340 0.002 0.000 0.281 363 L C -0.439 176.442 176.870 0.019 0.000 1.024 363 L CA -0.299 54.560 54.840 0.032 0.000 0.810 363 L CB 1.626 43.715 42.059 0.050 0.000 1.240 363 L HN 0.134 nan 8.230 nan 0.000 0.427 364 A N 2.079 124.892 122.820 -0.012 0.000 2.567 364 A HA 0.455 4.776 4.320 0.002 0.000 0.291 364 A C -0.125 177.441 177.584 -0.030 0.000 1.048 364 A CA 0.133 52.161 52.037 -0.016 0.000 0.661 364 A CB 1.583 20.578 19.000 -0.008 0.000 1.288 364 A HN 0.748 nan 8.150 nan 0.000 0.424 365 Q N -1.404 118.382 119.800 -0.023 0.000 1.942 365 Q HA -0.397 3.944 4.340 0.002 0.000 0.173 365 Q C 1.737 177.726 176.000 -0.019 0.000 2.935 365 Q CA 3.265 59.056 55.803 -0.021 0.000 0.188 365 Q CB -1.804 26.920 28.738 -0.024 0.000 0.219 365 Q HN 2.164 nan 8.270 nan 0.000 0.363 366 A N -0.182 122.623 122.820 -0.026 0.000 1.898 366 A HA -0.164 4.157 4.320 0.002 0.000 0.216 366 A C 1.563 179.141 177.584 -0.011 0.000 1.181 366 A CA 2.094 54.121 52.037 -0.017 0.000 0.620 366 A CB -0.264 18.721 19.000 -0.026 0.000 0.819 366 A HN 0.576 nan 8.150 nan 0.000 0.442 367 E N -1.281 118.908 120.200 -0.018 0.000 2.434 367 E HA 0.196 4.547 4.350 0.002 0.000 0.207 367 E C 0.580 177.158 176.600 -0.037 0.000 0.929 367 E CA 0.376 56.764 56.400 -0.020 0.000 1.001 367 E CB -0.070 29.618 29.700 -0.019 0.000 1.016 367 E HN 0.654 nan 8.360 nan 0.000 0.502 368 L N -0.992 120.209 121.223 -0.036 0.000 3.965 368 L HA -0.176 4.165 4.340 0.002 0.000 0.476 368 L C -1.663 175.152 176.870 -0.091 0.000 1.201 368 L CA 0.011 54.825 54.840 -0.044 0.000 0.710 368 L CB -1.219 40.822 42.059 -0.031 0.000 1.509 368 L HN 0.115 nan 8.230 nan 0.000 0.815 369 P HA -0.081 nan 4.420 nan 0.000 0.224 369 P C 1.783 178.839 177.300 -0.407 0.000 1.157 369 P CA 1.635 64.521 63.100 -0.356 0.000 0.799 369 P CB 0.253 31.744 31.700 -0.349 0.000 0.809 370 A N 0.848 123.630 122.820 -0.065 0.000 1.915 370 A HA -0.223 4.099 4.320 0.002 0.000 0.220 370 A C 2.329 179.923 177.584 0.017 0.000 1.198 370 A CA 1.982 54.069 52.037 0.084 0.000 0.647 370 A CB -1.677 17.367 19.000 0.073 0.000 0.825 370 A HN 0.169 nan 8.150 nan 0.000 0.456 371 I N -1.176 119.371 120.570 -0.038 0.000 2.202 371 I HA -0.196 3.975 4.170 0.002 0.000 0.242 371 I C 2.371 178.450 176.117 -0.063 0.000 1.091 371 I CA 1.239 62.517 61.300 -0.036 0.000 1.368 371 I CB -0.317 37.662 38.000 -0.036 0.000 1.058 371 I HN 0.410 nan 8.210 nan 0.000 0.410 372 L N 0.332 121.472 121.223 -0.138 0.000 2.191 372 L HA -0.210 4.131 4.340 0.002 0.000 0.212 372 L C 2.498 179.286 176.870 -0.136 0.000 1.103 372 L CA 1.969 56.713 54.840 -0.159 0.000 0.769 372 L CB -0.922 41.005 42.059 -0.221 0.000 0.908 372 L HN 0.241 nan 8.230 nan 0.000 0.438 373 H N -0.713 118.343 119.070 -0.024 0.000 2.333 373 H HA 0.006 4.563 4.556 0.002 0.000 0.302 373 H C 1.916 177.221 175.328 -0.038 0.000 1.075 373 H CA 1.911 57.939 56.048 -0.034 0.000 1.348 373 H CB -0.858 28.888 29.762 -0.027 0.000 1.393 373 H HN 0.490 nan 8.280 nan 0.000 0.509 374 T N -0.826 113.784 114.554 0.092 0.000 3.215 374 T HA 0.004 4.356 4.350 0.002 0.000 0.254 374 T C 0.767 175.467 174.700 0.001 0.000 1.149 374 T CA -0.042 62.077 62.100 0.031 0.000 1.042 374 T CB 0.042 68.924 68.868 0.023 0.000 0.966 374 T HN 0.026 nan 8.240 nan 0.000 0.534 375 E N 0.913 121.109 120.200 -0.007 0.000 2.373 375 E HA 0.303 4.655 4.350 0.002 0.000 0.263 375 E C 1.009 177.592 176.600 -0.028 0.000 1.073 375 E CA -0.622 55.762 56.400 -0.026 0.000 0.894 375 E CB 0.841 30.519 29.700 -0.037 0.000 1.008 375 E HN 0.239 nan 8.360 nan 0.000 0.420 376 L N 3.152 124.353 121.223 -0.038 0.000 2.131 376 L HA -0.089 4.253 4.340 0.002 0.000 0.210 376 L C -0.140 176.704 176.870 -0.043 0.000 1.092 376 L CA 1.112 55.928 54.840 -0.041 0.000 0.759 376 L CB -0.119 41.914 42.059 -0.044 0.000 0.903 376 L HN 0.462 nan 8.230 nan 0.000 0.435 377 N N 0.554 119.231 118.700 -0.039 0.000 2.402 377 N HA 0.137 4.878 4.740 0.002 0.000 0.259 377 N C 0.094 175.578 175.510 -0.043 0.000 1.167 377 N CA 0.045 53.075 53.050 -0.033 0.000 0.949 377 N CB 0.885 39.365 38.487 -0.010 0.000 1.212 377 N HN 0.148 nan 8.380 nan 0.000 0.493 378 L N 1.031 122.217 121.223 -0.061 0.000 2.692 378 L HA 0.209 4.551 4.340 0.002 0.000 0.175 378 L C 1.446 178.255 176.870 -0.101 0.000 1.112 378 L CA 0.534 55.321 54.840 -0.088 0.000 0.908 378 L CB -1.219 40.776 42.059 -0.108 0.000 1.672 378 L HN 0.554 nan 8.230 nan 0.000 0.500 379 Q N 0.069 119.810 119.800 -0.098 0.000 1.855 379 Q HA -0.402 3.940 4.340 0.002 0.000 0.172 379 Q C 1.639 177.579 176.000 -0.100 0.000 2.940 379 Q CA 2.513 58.264 55.803 -0.088 0.000 0.189 379 Q CB -1.117 27.583 28.738 -0.063 0.000 0.229 379 Q HN 0.335 nan 8.270 nan 0.000 0.360 380 K N 0.548 120.894 120.400 -0.090 0.000 2.281 380 K HA -0.064 4.257 4.320 0.002 0.000 0.203 380 K C 1.981 178.513 176.600 -0.112 0.000 1.046 380 K CA 1.409 57.664 56.287 -0.053 0.000 0.938 380 K CB -0.038 32.456 32.500 -0.010 0.000 0.737 380 K HN 0.382 nan 8.250 nan 0.000 0.458 381 L N 0.456 121.495 121.223 -0.307 0.000 2.262 381 L HA 0.021 4.362 4.340 0.002 0.000 0.197 381 L C 0.543 177.192 176.870 -0.368 0.000 1.073 381 L CA 0.215 54.670 54.840 -0.643 0.000 0.800 381 L CB 0.216 41.650 42.059 -1.041 0.000 0.987 381 L HN -0.022 nan 8.230 nan 0.000 0.470 382 S N -0.089 115.455 115.700 -0.260 0.000 2.422 382 S HA 0.061 4.533 4.470 0.002 0.000 0.283 382 S C 0.422 174.950 174.600 -0.120 0.000 1.163 382 S CA -0.528 57.565 58.200 -0.178 0.000 1.054 382 S CB 0.904 64.017 63.200 -0.145 0.000 0.967 382 S HN 0.360 nan 8.310 nan 0.000 0.499 383 N N 3.440 122.081 118.700 -0.099 0.000 2.148 383 N HA -0.030 4.711 4.740 0.002 0.000 0.186 383 N C 0.143 175.620 175.510 -0.055 0.000 1.031 383 N CA 1.242 54.253 53.050 -0.066 0.000 0.848 383 N CB -0.006 38.455 38.487 -0.044 0.000 1.005 383 N HN 0.718 nan 8.380 nan 0.000 0.427 384 D N -0.217 120.156 120.400 -0.045 0.000 2.507 384 D HA 0.163 4.804 4.640 0.002 0.000 0.280 384 D C -0.041 176.229 176.300 -0.050 0.000 1.219 384 D CA -0.346 53.633 54.000 -0.035 0.000 1.085 384 D CB 0.415 41.212 40.800 -0.005 0.000 1.134 384 D HN 0.066 nan 8.370 nan 0.000 0.583 385 R N 0.384 120.858 120.500 -0.044 0.000 2.370 385 R HA 0.319 4.660 4.340 0.002 0.000 0.309 385 R C -0.136 176.124 176.300 -0.066 0.000 1.059 385 R CA 0.056 56.125 56.100 -0.050 0.000 0.981 385 R CB 0.378 30.654 30.300 -0.040 0.000 0.972 385 R HN 0.282 nan 8.270 nan 0.000 0.437 386 I N 3.829 124.354 120.570 -0.075 0.000 2.336 386 I HA 0.278 4.449 4.170 0.002 0.000 0.292 386 I C 0.172 176.243 176.117 -0.078 0.000 0.991 386 I CA -0.561 60.685 61.300 -0.090 0.000 1.227 386 I CB 1.133 39.072 38.000 -0.101 0.000 1.366 386 I HN 0.460 nan 8.210 nan 0.000 0.466 387 R N 5.561 126.004 120.500 -0.095 0.000 2.545 387 R HA 0.279 4.621 4.340 0.002 0.000 0.289 387 R C -0.975 175.261 176.300 -0.108 0.000 1.327 387 R CA -0.557 55.495 56.100 -0.079 0.000 1.040 387 R CB 2.201 32.461 30.300 -0.067 0.000 1.176 387 R HN 0.400 nan 8.270 nan 0.000 0.518 388 V N 2.916 122.780 119.914 -0.084 0.000 2.585 388 V HA 0.167 4.288 4.120 0.002 0.000 0.296 388 V C 1.045 177.090 176.094 -0.081 0.000 1.035 388 V CA 0.973 63.214 62.300 -0.098 0.000 1.084 388 V CB 1.180 32.949 31.823 -0.090 0.000 0.953 388 V HN 0.905 nan 8.190 nan 0.000 0.483 389 G N 5.567 114.307 108.800 -0.101 0.000 2.437 389 G HA2 0.152 4.114 3.960 0.002 0.000 0.212 389 G HA3 0.152 4.114 3.960 0.002 0.000 0.212 389 G C 0.305 175.207 174.900 0.002 0.000 1.174 389 G CA 0.707 45.783 45.100 -0.040 0.000 0.811 389 G HN 0.946 nan 8.290 nan 0.000 0.537 390 E N -2.008 118.200 120.200 0.012 0.000 2.375 390 E HA 0.472 4.823 4.350 0.002 0.000 0.280 390 E C -1.844 174.772 176.600 0.028 0.000 0.972 390 E CA -1.001 55.410 56.400 0.018 0.000 0.782 390 E CB 2.122 31.843 29.700 0.035 0.000 1.229 390 E HN 0.065 nan 8.360 nan 0.000 0.439 391 V N 4.345 124.254 119.914 -0.009 0.000 2.266 391 V HA 0.388 4.510 4.120 0.002 0.000 0.266 391 V C -1.086 175.017 176.094 0.016 0.000 1.036 391 V CA -0.471 61.844 62.300 0.025 0.000 0.828 391 V CB 0.470 32.227 31.823 -0.109 0.000 1.081 391 V HN 0.752 nan 8.190 nan 0.000 0.449 392 L N 5.132 126.360 121.223 0.008 0.000 2.334 392 L HA 0.618 4.960 4.340 0.002 0.000 0.277 392 L C -0.174 176.568 176.870 -0.214 0.000 1.075 392 L CA -0.249 54.520 54.840 -0.117 0.000 0.804 392 L CB 1.393 43.373 42.059 -0.131 0.000 1.174 392 L HN 0.556 nan 8.230 nan 0.000 0.438 393 N N 1.739 120.178 118.700 -0.435 0.000 2.446 393 N HA 0.318 5.059 4.740 0.002 0.000 0.265 393 N C -1.262 173.923 175.510 -0.541 0.000 0.975 393 N CA -0.292 52.444 53.050 -0.525 0.000 0.928 393 N CB 1.723 39.755 38.487 -0.759 0.000 1.160 393 N HN 0.509 nan 8.380 nan 0.000 0.495 394 S N 1.677 117.198 115.700 -0.298 0.000 2.478 394 S HA 0.742 5.214 4.470 0.002 0.000 0.312 394 S C -0.242 174.451 174.600 0.155 0.000 1.094 394 S CA -0.863 57.286 58.200 -0.085 0.000 1.081 394 S CB 0.302 63.408 63.200 -0.157 0.000 1.007 394 S HN 0.435 nan 8.310 nan 0.000 0.475 395 I N 0.011 120.751 120.570 0.285 0.000 2.648 395 I HA 0.810 4.981 4.170 0.002 0.000 0.304 395 I C -1.083 175.254 176.117 0.365 0.000 1.009 395 I CA -1.192 60.342 61.300 0.390 0.000 1.114 395 I CB 1.361 39.691 38.000 0.550 0.000 1.293 395 I HN 0.648 nan 8.210 nan 0.000 0.449 396 F N 5.923 125.941 119.950 0.113 0.000 2.686 396 F HA 0.504 5.032 4.527 0.001 0.000 0.365 396 F C -1.228 174.505 175.800 -0.112 0.000 1.196 396 F CA -0.779 57.235 58.000 0.023 0.000 1.198 396 F CB 0.618 39.599 39.000 -0.033 0.000 1.454 396 F HN 0.495 nan 8.300 nan 0.000 0.539 397 F N 4.109 123.845 119.950 -0.357 0.000 2.438 397 F HA 0.377 4.905 4.527 0.002 0.000 0.356 397 F C -0.036 175.532 175.800 -0.386 0.000 1.099 397 F CA 0.182 57.952 58.000 -0.384 0.000 1.185 397 F CB 0.573 39.341 39.000 -0.387 0.000 1.115 397 F HN 0.425 nan 8.300 nan 0.000 0.526 398 E N 6.572 126.439 120.200 -0.556 0.000 2.263 398 E HA 0.453 4.805 4.350 0.002 0.000 0.268 398 E C -1.821 174.571 176.600 -0.347 0.000 0.884 398 E CA -0.684 55.507 56.400 -0.349 0.000 0.766 398 E CB 1.383 30.940 29.700 -0.240 0.000 1.196 398 E HN 0.652 nan 8.360 nan 0.000 0.416 399 L N 3.310 124.426 121.223 -0.178 0.000 2.346 399 L HA 0.589 4.931 4.340 0.002 0.000 0.276 399 L C -0.186 176.622 176.870 -0.104 0.000 1.006 399 L CA -0.578 54.185 54.840 -0.128 0.000 0.817 399 L CB 1.861 43.889 42.059 -0.052 0.000 1.272 399 L HN 0.601 nan 8.230 nan 0.000 0.421 400 E N 1.064 121.204 120.200 -0.099 0.000 2.450 400 E HA 0.854 5.205 4.350 0.002 0.000 0.272 400 E C -1.311 175.271 176.600 -0.029 0.000 0.967 400 E CA -0.983 55.383 56.400 -0.058 0.000 0.818 400 E CB 2.584 32.248 29.700 -0.062 0.000 1.401 400 E HN 0.608 nan 8.360 nan 0.000 0.450 401 A N 0.543 123.376 122.820 0.022 0.000 2.498 401 A HA 0.550 4.871 4.320 0.002 0.000 0.298 401 A C -1.306 176.327 177.584 0.082 0.000 1.075 401 A CA -0.653 51.438 52.037 0.089 0.000 0.714 401 A CB 1.112 20.200 19.000 0.147 0.000 1.299 401 A HN 0.590 nan 8.150 nan 0.000 0.407 402 D N 1.326 121.792 120.400 0.109 0.000 2.720 402 D HA 0.278 4.920 4.640 0.002 0.000 0.285 402 D C -0.250 176.097 176.300 0.078 0.000 1.359 402 D CA 0.125 54.172 54.000 0.079 0.000 0.818 402 D CB 0.154 40.998 40.800 0.074 0.000 1.108 402 D HN 0.709 nan 8.370 nan 0.000 0.474 417 E N 1.699 121.894 120.200 -0.009 0.000 2.375 417 E HA 0.549 4.900 4.350 0.002 0.000 0.280 417 E C -0.864 175.738 176.600 0.003 0.000 0.972 417 E CA -0.716 55.682 56.400 -0.004 0.000 0.782 417 E CB 2.600 32.302 29.700 0.002 0.000 1.229 417 E HN 0.143 nan 8.360 nan 0.000 0.439 418 V N -0.955 118.963 119.914 0.007 0.000 3.182 418 V HA 0.746 4.867 4.120 0.002 0.000 0.308 418 V C -1.479 174.638 176.094 0.037 0.000 1.240 418 V CA -1.138 61.176 62.300 0.024 0.000 1.063 418 V CB 1.929 33.765 31.823 0.021 0.000 1.076 418 V HN 0.603 nan 8.190 nan 0.000 0.446 419 L N 1.392 122.653 121.223 0.064 0.000 2.342 419 L HA 0.579 4.921 4.340 0.002 0.000 0.276 419 L C 0.057 176.968 176.870 0.068 0.000 0.997 419 L CA -0.128 54.750 54.840 0.063 0.000 0.838 419 L CB 1.280 43.395 42.059 0.094 0.000 1.224 419 L HN 0.980 nan 8.230 nan 0.000 0.416 420 E N 4.139 124.365 120.200 0.044 0.000 1.802 420 E HA 0.182 4.534 4.350 0.002 0.000 0.265 420 E C -1.026 175.596 176.600 0.038 0.000 1.168 420 E CA -0.270 56.175 56.400 0.075 0.000 1.033 420 E CB 0.367 30.073 29.700 0.009 0.000 1.095 420 E HN 0.496 nan 8.360 nan 0.000 0.436 421 V N 4.975 124.900 119.914 0.019 0.000 2.313 421 V HA 0.099 4.220 4.120 0.002 0.000 0.252 421 V C 0.229 176.278 176.094 -0.075 0.000 1.112 421 V CA -0.132 62.123 62.300 -0.076 0.000 0.984 421 V CB 0.735 32.462 31.823 -0.160 0.000 1.157 421 V HN 0.534 nan 8.190 nan 0.000 0.493 422 T N 5.990 120.506 114.554 -0.062 0.000 2.902 422 T HA 0.558 4.909 4.350 0.002 0.000 0.283 422 T C 0.417 175.071 174.700 -0.076 0.000 1.009 422 T CA -0.454 61.615 62.100 -0.051 0.000 1.051 422 T CB 1.603 70.459 68.868 -0.020 0.000 0.999 422 T HN 0.382 nan 8.240 nan 0.000 0.474 423 L N 3.490 124.683 121.223 -0.050 0.000 3.096 423 L HA 0.216 4.558 4.340 0.002 0.000 0.247 423 L C 1.722 178.763 176.870 0.286 0.000 1.321 423 L CA -0.539 54.271 54.840 -0.050 0.000 1.044 423 L CB -0.390 41.368 42.059 -0.501 0.000 1.434 423 L HN 0.634 nan 8.230 nan 0.000 0.533 424 N N 0.871 119.703 118.700 0.219 0.000 2.205 424 N HA -0.185 4.556 4.740 0.002 0.000 0.186 424 N C 0.759 176.592 175.510 0.539 0.000 1.015 424 N CA 1.185 54.433 53.050 0.330 0.000 0.862 424 N CB 0.086 38.714 38.487 0.235 0.000 0.986 424 N HN 0.410 nan 8.380 nan 0.000 0.429 425 R N 0.153 120.859 120.500 0.344 0.000 2.758 425 R HA 0.467 4.808 4.340 0.002 0.000 0.265 425 R C -2.381 174.095 176.300 0.294 0.000 1.016 425 R CA -2.123 54.159 56.100 0.302 0.000 1.040 425 R CB 0.772 31.177 30.300 0.176 0.000 1.152 425 R HN 0.049 nan 8.270 nan 0.000 0.503 426 P HA -0.113 nan 4.420 nan 0.000 0.266 426 P C -1.130 176.302 177.300 0.219 0.000 1.180 426 P CA 0.774 63.961 63.100 0.145 0.000 0.765 426 P CB 0.271 31.982 31.700 0.017 0.000 0.806 427 F N 0.377 120.304 119.950 -0.038 0.000 2.715 427 F HA 0.692 5.220 4.527 0.002 0.000 0.318 427 F C -1.940 173.869 175.800 0.015 0.000 1.141 427 F CA -1.283 56.703 58.000 -0.024 0.000 0.950 427 F CB 0.787 39.767 39.000 -0.033 0.000 1.374 427 F HN -0.060 nan 8.300 nan 0.000 0.477 428 L N 1.797 123.091 121.223 0.118 0.000 2.319 428 L HA 0.699 5.040 4.340 0.002 0.000 0.267 428 L C -0.666 176.391 176.870 0.311 0.000 1.011 428 L CA -0.707 54.191 54.840 0.096 0.000 0.818 428 L CB 1.718 43.855 42.059 0.129 0.000 1.316 428 L HN 0.948 nan 8.230 nan 0.000 0.432 429 F N -0.582 119.351 119.950 -0.028 0.000 2.741 429 F HA 0.879 5.407 4.527 0.003 0.000 0.313 429 F C -1.312 174.462 175.800 -0.044 0.000 1.153 429 F CA -1.346 56.657 58.000 0.005 0.000 0.931 429 F CB 1.800 40.810 39.000 0.016 0.000 1.335 429 F HN 0.536 nan 8.300 nan 0.000 0.460 430 A N 1.645 124.379 122.820 -0.143 0.000 2.534 430 A HA 0.590 4.912 4.320 0.002 0.000 0.300 430 A C -1.360 176.279 177.584 0.091 0.000 1.054 430 A CA -0.285 51.621 52.037 -0.218 0.000 0.858 430 A CB 0.415 19.296 19.000 -0.200 0.000 1.333 430 A HN 2.161 nan 8.150 nan 0.000 0.391 431 V N 0.829 120.846 119.914 0.173 0.000 2.530 431 V HA 0.753 4.874 4.120 0.002 0.000 0.282 431 V C -0.416 175.877 176.094 0.331 0.000 1.048 431 V CA -0.288 62.193 62.300 0.301 0.000 0.997 431 V CB 0.681 32.666 31.823 0.269 0.000 0.987 431 V HN 1.272 nan 8.190 nan 0.000 0.477 432 Y N 2.958 123.380 120.300 0.202 0.000 2.477 432 Y HA 0.661 5.212 4.550 0.002 0.000 0.347 432 Y C -0.918 175.106 175.900 0.207 0.000 0.981 432 Y CA -1.160 57.048 58.100 0.181 0.000 1.033 432 Y CB 2.062 40.595 38.460 0.121 0.000 1.245 432 Y HN 0.869 nan 8.280 nan 0.000 0.455 433 D N 4.001 124.063 120.400 -0.563 0.000 2.256 433 D HA 0.232 4.873 4.640 0.002 0.000 0.240 433 D C 0.112 175.906 176.300 -0.843 0.000 1.062 433 D CA -0.085 53.654 54.000 -0.435 0.000 0.832 433 D CB 1.911 42.670 40.800 -0.069 0.000 1.135 433 D HN 0.853 nan 8.370 nan 0.000 0.484 434 Q N 1.388 120.951 119.800 -0.394 0.000 2.137 434 Q HA -0.081 4.260 4.340 0.002 0.000 0.198 434 Q C 1.868 177.823 176.000 -0.075 0.000 0.960 434 Q CA 1.175 56.886 55.803 -0.153 0.000 0.847 434 Q CB 0.120 28.892 28.738 0.056 0.000 0.915 434 Q HN 0.593 nan 8.270 nan 0.000 0.448 435 S N 0.538 116.205 115.700 -0.056 0.000 2.402 435 S HA -0.014 4.458 4.470 0.002 0.000 0.229 435 S C 1.772 176.361 174.600 -0.019 0.000 1.021 435 S CA 0.855 59.049 58.200 -0.011 0.000 0.974 435 S CB 0.004 63.209 63.200 0.008 0.000 0.800 435 S HN 0.314 nan 8.310 nan 0.000 0.484 436 A N 1.488 124.276 122.820 -0.053 0.000 2.500 436 A HA 0.471 4.792 4.320 0.002 0.000 0.267 436 A C 1.095 178.621 177.584 -0.097 0.000 1.290 436 A CA 0.370 52.376 52.037 -0.053 0.000 0.928 436 A CB -1.073 17.914 19.000 -0.022 0.000 1.066 436 A HN 1.135 nan 8.150 nan 0.000 0.516 437 T N -2.752 111.739 114.554 -0.105 0.000 3.538 437 T HA -0.079 4.273 4.350 0.002 0.000 0.385 437 T C 0.166 174.869 174.700 0.005 0.000 0.766 437 T CA 0.964 63.059 62.100 -0.009 0.000 1.906 437 T CB -2.506 66.419 68.868 0.095 0.000 1.760 437 T HN 1.926 nan 8.240 nan 0.000 0.678 438 A N 0.997 123.710 122.820 -0.179 0.000 2.398 438 A HA 0.705 5.026 4.320 0.002 0.000 0.301 438 A C -0.230 177.334 177.584 -0.034 0.000 1.041 438 A CA -1.339 50.619 52.037 -0.133 0.000 0.711 438 A CB 1.086 19.911 19.000 -0.292 0.000 1.240 438 A HN 1.037 nan 8.150 nan 0.000 0.420 439 L N 1.069 122.353 121.223 0.103 0.000 2.268 439 L HA 0.464 4.805 4.340 0.002 0.000 0.289 439 L C 0.794 177.638 176.870 -0.042 0.000 1.064 439 L CA 0.031 54.975 54.840 0.173 0.000 0.824 439 L CB -0.612 41.534 42.059 0.145 0.000 1.202 439 L HN 0.744 nan 8.230 nan 0.000 0.433 440 H N 2.315 121.348 119.070 -0.063 0.000 2.428 440 H HA 0.155 4.713 4.556 0.002 0.000 0.296 440 H C -0.401 174.582 175.328 -0.575 0.000 1.062 440 H CA 1.257 57.156 56.048 -0.248 0.000 1.350 440 H CB 0.264 29.974 29.762 -0.088 0.000 1.403 440 H HN 0.450 nan 8.280 nan 0.000 0.533 441 F N -0.079 119.879 119.950 0.014 0.000 2.601 441 F HA 0.410 4.938 4.527 0.003 0.000 0.309 441 F C -0.982 174.623 175.800 -0.326 0.000 1.089 441 F CA -0.927 56.993 58.000 -0.134 0.000 0.940 441 F CB 1.979 40.889 39.000 -0.151 0.000 1.273 441 F HN -0.263 nan 8.300 nan 0.000 0.450 442 L N 1.575 122.671 121.223 -0.211 0.000 2.455 442 L HA 0.921 5.262 4.340 0.002 0.000 0.264 442 L C -0.282 176.359 176.870 -0.381 0.000 0.968 442 L CA -0.308 54.277 54.840 -0.426 0.000 0.827 442 L CB 2.239 44.057 42.059 -0.401 0.000 1.317 442 L HN 0.759 nan 8.230 nan 0.000 0.407 443 G N 1.238 109.638 108.800 -0.668 0.000 2.623 443 G HA2 0.679 4.641 3.960 0.002 0.000 0.290 443 G HA3 0.679 4.641 3.960 0.002 0.000 0.290 443 G C -2.127 172.722 174.900 -0.084 0.000 1.437 443 G CA -0.769 44.160 45.100 -0.286 0.000 0.798 443 G HN 0.495 nan 8.290 nan 0.000 0.488 444 R N -0.552 119.899 120.500 -0.083 0.000 2.778 444 R HA 0.740 5.081 4.340 0.002 0.000 0.277 444 R C -1.418 174.636 176.300 -0.410 0.000 0.977 444 R CA -0.586 55.323 56.100 -0.318 0.000 0.950 444 R CB 2.211 32.053 30.300 -0.763 0.000 1.165 444 R HN 0.352 nan 8.270 nan 0.000 0.474 445 V N 4.005 123.578 119.914 -0.569 0.000 2.380 445 V HA 0.382 4.503 4.120 0.002 0.000 0.286 445 V C 0.454 176.300 176.094 -0.413 0.000 1.015 445 V CA -0.257 61.702 62.300 -0.568 0.000 0.834 445 V CB 0.917 32.200 31.823 -0.899 0.000 1.009 445 V HN 1.051 nan 8.190 nan 0.000 0.428 446 A N 4.568 127.198 122.820 -0.316 0.000 1.871 446 A HA 0.298 4.620 4.320 0.002 0.000 0.211 446 A C 0.765 178.262 177.584 -0.145 0.000 1.207 446 A CA 1.027 52.940 52.037 -0.206 0.000 0.620 446 A CB 0.083 18.966 19.000 -0.195 0.000 0.860 446 A HN 0.872 nan 8.150 nan 0.000 0.450 447 N N -0.832 117.770 118.700 -0.164 0.000 2.555 447 N HA 0.371 5.112 4.740 0.002 0.000 0.265 447 N C -3.772 171.640 175.510 -0.163 0.000 1.135 447 N CA -1.316 51.644 53.050 -0.151 0.000 0.925 447 N CB 0.289 38.724 38.487 -0.087 0.000 1.662 447 N HN -0.155 nan 8.380 nan 0.000 0.489 448 P HA 0.454 nan 4.420 nan 0.000 0.276 448 P C -0.731 176.513 177.300 -0.093 0.000 1.235 448 P CA -0.262 62.749 63.100 -0.148 0.000 0.772 448 P CB 0.692 32.292 31.700 -0.166 0.000 0.871 449 L N 0.000 121.180 121.223 -0.071 0.000 2.949 449 L HA 0.000 4.341 4.340 0.002 0.000 0.249 449 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 449 L CB 0.000 42.037 42.059 -0.036 0.000 0.961 449 L HN 0.000 nan 8.230 nan 0.000 0.502