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 2fy4_1_A DATA FIRST_RESID 11 DATA SEQUENCE SGLPKLPVPP LQQTLATYLQ CMRHLVSEEQ FRKSQAIVQQ FGAPGGLGET DATA SEQUENCE LQQKLLERQE KTANWVSEYW LNDMYLNNRL ALPVNSSPAV IFARQHFPGT DATA SEQUENCE DDQLRFAASL ISGVLSYKAL LDSHSIPTDC AKGQLSGQPL CMKQYYGLFS DATA SEQUENCE SYRLPGHTQD TLVAQXXXXM PEPEHVIVAC CNQFFVLDVV INFRRLSEGD DATA SEQUENCE LFTQLRKIVK MASNAAARLP PIGLLTSDGR SEWAEARTVL VKDSTNRDSL DATA SEQUENCE DMIERCICLV CLDAPGGVEL SDTHRALQLL HGGGYSKNGA NRWYDKSLQF DATA SEQUENCE VVGRDGTCGV VCEHSPFDGI VLVQCTEHLL KHMTQPXXEL VRSPMVPXLP DATA SEQUENCE APRRLRWKCS PEIQGHLASS AEKLQRIVKN LDFIVYKFDN YGKTFIKKQK DATA SEQUENCE CSPDAFIQVA LQLAFYRLHR RLVPTYESAS IRRFQEGRVD NIRSATPEAL DATA SEQUENCE AFVRAVTDHK AAVPASEKLL LLKDAIRAQT AYTVMAITGM AIDNHLLALR DATA SEQUENCE ELARAMCAAL PEMFMDETYL MSNRFVLSTS QVPTTTEMFC CYGPVVPNGY DATA SEQUENCE GACYNPQPET ILFCISSFHS CAATSSSKFA KAVEESLIDM RDLCSL 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.603 174.600 0.006 0.000 1.055 11 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 11 S CB 0.000 63.205 63.200 0.008 0.000 0.593 12 G N 1.745 110.547 108.800 0.004 0.000 2.939 12 G HA2 0.266 4.225 3.960 -0.001 0.000 0.210 12 G HA3 0.266 4.225 3.960 -0.001 0.000 0.210 12 G C 0.326 175.235 174.900 0.015 0.000 1.160 12 G CA -0.048 45.057 45.100 0.007 0.000 0.770 12 G HN 0.600 nan 8.290 nan 0.000 0.543 13 L N 1.960 123.194 121.223 0.019 0.000 2.452 13 L HA 0.259 4.598 4.340 -0.001 0.000 0.267 13 L C -1.551 175.360 176.870 0.067 0.000 1.188 13 L CA -1.674 53.180 54.840 0.023 0.000 0.821 13 L CB 0.748 42.817 42.059 0.017 0.000 1.102 13 L HN 0.009 nan 8.230 nan 0.000 0.470 14 P HA 0.139 nan 4.420 nan 0.000 0.274 14 P C -1.168 176.303 177.300 0.285 0.000 1.237 14 P CA -0.512 62.702 63.100 0.189 0.000 0.793 14 P CB 0.852 32.696 31.700 0.240 0.000 0.977 15 K N 0.822 121.345 120.400 0.205 0.000 2.185 15 K HA 0.227 4.546 4.320 -0.001 0.000 0.271 15 K C 0.210 176.843 176.600 0.055 0.000 1.013 15 K CA -0.890 55.487 56.287 0.150 0.000 0.943 15 K CB 0.250 32.815 32.500 0.107 0.000 0.998 15 K HN 0.342 nan 8.250 nan 0.000 0.468 16 L N 5.440 126.605 121.223 -0.096 0.000 2.601 16 L HA 0.010 4.349 4.340 -0.001 0.000 0.277 16 L C -2.133 174.648 176.870 -0.149 0.000 1.219 16 L CA -0.598 53.947 54.840 -0.492 0.000 0.915 16 L CB -0.064 41.722 42.059 -0.455 0.000 1.160 16 L HN 0.471 nan 8.230 nan 0.000 0.494 17 P HA 0.068 nan 4.420 nan 0.000 0.274 17 P C -1.138 176.179 177.300 0.029 0.000 1.237 17 P CA -0.243 62.789 63.100 -0.114 0.000 0.793 17 P CB 0.908 32.493 31.700 -0.192 0.000 0.977 18 V N 3.990 123.813 119.914 -0.151 0.000 2.311 18 V HA 0.235 4.354 4.120 -0.001 0.000 0.275 18 V C -1.702 174.177 176.094 -0.359 0.000 1.022 18 V CA -1.732 60.316 62.300 -0.419 0.000 0.830 18 V CB 0.633 32.123 31.823 -0.555 0.000 1.012 18 V HN 0.609 nan 8.190 nan 0.000 0.452 19 P HA 0.213 nan 4.420 nan 0.000 0.269 19 P C -2.642 174.563 177.300 -0.159 0.000 1.215 19 P CA -1.370 61.593 63.100 -0.228 0.000 0.780 19 P CB 0.008 31.639 31.700 -0.115 0.000 0.898 20 P HA -0.012 nan 4.420 nan 0.000 0.269 20 P C 0.981 178.382 177.300 0.169 0.000 1.209 20 P CA -0.306 62.819 63.100 0.041 0.000 0.776 20 P CB 0.590 32.306 31.700 0.026 0.000 0.876 21 L N 2.922 124.243 121.223 0.163 0.000 1.989 21 L HA -0.233 4.106 4.340 -0.001 0.000 0.211 21 L C 2.303 179.245 176.870 0.120 0.000 1.071 21 L CA 2.130 57.071 54.840 0.168 0.000 0.749 21 L CB -1.352 40.747 42.059 0.066 0.000 0.890 21 L HN 0.254 nan 8.230 nan 0.000 0.431 22 Q N -0.422 119.427 119.800 0.082 0.000 2.181 22 Q HA -0.284 4.055 4.340 -0.001 0.000 0.205 22 Q C 2.165 178.222 176.000 0.096 0.000 0.980 22 Q CA 1.945 57.793 55.803 0.076 0.000 0.862 22 Q CB -0.530 28.238 28.738 0.050 0.000 0.905 22 Q HN 0.758 nan 8.270 nan 0.000 0.429 23 Q N -0.048 119.813 119.800 0.102 0.000 2.050 23 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 23 Q C 1.669 177.753 176.000 0.139 0.000 0.980 23 Q CA 1.781 57.646 55.803 0.103 0.000 0.840 23 Q CB 0.101 28.890 28.738 0.086 0.000 0.898 23 Q HN 0.314 nan 8.270 nan 0.000 0.424 24 T N 1.496 116.159 114.554 0.182 0.000 2.821 24 T HA -0.073 4.276 4.350 -0.001 0.000 0.267 24 T C 1.806 176.623 174.700 0.195 0.000 1.046 24 T CA 1.092 63.316 62.100 0.207 0.000 1.139 24 T CB -0.115 68.901 68.868 0.247 0.000 0.871 24 T HN 0.238 nan 8.240 nan 0.000 0.454 25 L N 0.657 121.979 121.223 0.166 0.000 2.056 25 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 25 L C 3.075 180.083 176.870 0.231 0.000 1.078 25 L CA 1.194 56.157 54.840 0.206 0.000 0.749 25 L CB -0.723 41.434 42.059 0.163 0.000 0.901 25 L HN 0.230 nan 8.230 nan 0.000 0.433 26 A N -0.212 122.710 122.820 0.171 0.000 1.877 26 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 26 A C 2.374 180.067 177.584 0.180 0.000 1.186 26 A CA 2.385 54.513 52.037 0.152 0.000 0.620 26 A CB -0.971 18.098 19.000 0.114 0.000 0.822 26 A HN 0.367 nan 8.150 nan 0.000 0.443 27 T N -1.329 113.341 114.554 0.192 0.000 2.720 27 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 27 T C 1.780 176.655 174.700 0.291 0.000 1.037 27 T CA 1.723 63.951 62.100 0.214 0.000 1.144 27 T CB -0.475 68.503 68.868 0.184 0.000 0.864 27 T HN 0.570 nan 8.240 nan 0.000 0.444 28 Y N 2.076 122.483 120.300 0.178 0.000 2.053 28 Y HA -0.171 4.379 4.550 -0.001 0.000 0.277 28 Y C 2.026 178.043 175.900 0.194 0.000 1.159 28 Y CA 1.159 59.371 58.100 0.187 0.000 1.125 28 Y CB -0.882 37.671 38.460 0.155 0.000 0.969 28 Y HN 0.141 nan 8.280 nan 0.000 0.492 29 L N -0.051 121.166 121.223 -0.011 0.000 2.012 29 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 29 L C 2.632 179.587 176.870 0.143 0.000 1.073 29 L CA 1.899 56.730 54.840 -0.015 0.000 0.748 29 L CB -0.758 41.379 42.059 0.129 0.000 0.891 29 L HN 0.272 nan 8.230 nan 0.000 0.431 30 Q N -0.288 119.606 119.800 0.156 0.000 2.124 30 Q HA -0.193 4.146 4.340 -0.001 0.000 0.202 30 Q C 2.267 178.358 176.000 0.151 0.000 0.977 30 Q CA 2.051 57.938 55.803 0.141 0.000 0.850 30 Q CB -0.559 28.266 28.738 0.145 0.000 0.901 30 Q HN 0.522 nan 8.270 nan 0.000 0.429 31 C N -0.337 119.062 119.300 0.165 0.000 2.422 31 C HA -0.014 4.445 4.460 -0.001 0.000 0.279 31 C C 2.145 177.151 174.990 0.027 0.000 1.305 31 C CA 0.759 59.886 59.018 0.183 0.000 1.757 31 C CB -0.653 27.224 27.740 0.228 0.000 1.962 31 C HN 0.545 nan 8.230 nan 0.000 0.499 32 M N -0.455 119.100 119.600 -0.075 0.000 2.367 32 M HA 0.098 4.577 4.480 -0.001 0.000 0.256 32 M C 2.070 178.235 176.300 -0.225 0.000 1.091 32 M CA 0.380 55.569 55.300 -0.185 0.000 1.049 32 M CB -1.077 31.410 32.600 -0.188 0.000 1.406 32 M HN 0.397 nan 8.290 nan 0.000 0.498 33 R N 1.274 121.623 120.500 -0.253 0.000 2.113 33 R HA -0.206 4.133 4.340 -0.001 0.000 0.244 33 R C 1.914 177.987 176.300 -0.378 0.000 1.142 33 R CA 2.162 57.843 56.100 -0.697 0.000 0.953 33 R CB -0.398 29.326 30.300 -0.959 0.000 0.860 33 R HN 0.504 nan 8.270 nan 0.000 0.438 34 H N -0.569 118.355 119.070 -0.243 0.000 2.556 34 H HA 0.026 4.581 4.556 -0.001 0.000 0.268 34 H C 1.356 176.642 175.328 -0.070 0.000 0.996 34 H CA 0.428 56.392 56.048 -0.140 0.000 1.157 34 H CB -0.103 29.602 29.762 -0.095 0.000 1.355 34 H HN 0.296 nan 8.280 nan 0.000 0.597 35 L N 1.279 122.252 121.223 -0.417 0.000 2.728 35 L HA 0.213 4.552 4.340 -0.001 0.000 0.238 35 L C 0.238 177.035 176.870 -0.121 0.000 1.143 35 L CA -0.302 54.377 54.840 -0.269 0.000 0.937 35 L CB 0.790 42.648 42.059 -0.336 0.000 1.225 35 L HN 0.131 nan 8.230 nan 0.000 0.507 36 V N -4.907 114.953 119.914 -0.090 0.000 3.160 36 V HA 0.637 4.756 4.120 -0.001 0.000 0.310 36 V C 0.165 176.262 176.094 0.004 0.000 1.181 36 V CA -0.879 61.409 62.300 -0.020 0.000 1.047 36 V CB 1.599 33.436 31.823 0.023 0.000 1.068 36 V HN 0.117 nan 8.190 nan 0.000 0.441 37 S N 0.204 115.922 115.700 0.030 0.000 2.584 37 S HA 0.226 4.695 4.470 -0.001 0.000 0.270 37 S C 0.774 175.420 174.600 0.075 0.000 1.346 37 S CA 0.595 58.819 58.200 0.040 0.000 1.018 37 S CB 0.517 63.739 63.200 0.037 0.000 0.899 37 S HN 0.884 nan 8.310 nan 0.000 0.542 38 E N 0.802 121.044 120.200 0.070 0.000 2.051 38 E HA -0.216 4.134 4.350 -0.001 0.000 0.192 38 E C 1.971 178.652 176.600 0.134 0.000 0.991 38 E CA 1.386 57.852 56.400 0.111 0.000 0.799 38 E CB -0.224 29.520 29.700 0.074 0.000 0.748 38 E HN 0.912 nan 8.360 nan 0.000 0.449 39 E N 1.348 121.596 120.200 0.081 0.000 2.038 39 E HA -0.324 4.025 4.350 -0.001 0.000 0.195 39 E C 2.293 178.928 176.600 0.059 0.000 1.000 39 E CA 1.560 57.995 56.400 0.058 0.000 0.803 39 E CB -0.037 29.685 29.700 0.037 0.000 0.750 39 E HN 0.227 nan 8.360 nan 0.000 0.448 40 Q N -0.617 119.223 119.800 0.067 0.000 2.124 40 Q HA -0.204 4.135 4.340 -0.001 0.000 0.202 40 Q C 2.049 178.098 176.000 0.082 0.000 0.977 40 Q CA 1.626 57.464 55.803 0.059 0.000 0.850 40 Q CB -0.272 28.500 28.738 0.056 0.000 0.901 40 Q HN 0.368 nan 8.270 nan 0.000 0.429 41 F N 1.116 121.051 119.950 -0.025 0.000 2.134 41 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 41 F C 2.061 177.846 175.800 -0.025 0.000 1.097 41 F CA 1.555 59.533 58.000 -0.035 0.000 1.264 41 F CB -0.102 38.880 39.000 -0.030 0.000 1.001 41 F HN -0.008 nan 8.300 nan 0.000 0.479 42 R N 0.369 120.842 120.500 -0.045 0.000 2.091 42 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 42 R C 2.225 178.426 176.300 -0.164 0.000 1.136 42 R CA 1.912 57.932 56.100 -0.132 0.000 0.959 42 R CB -0.444 29.848 30.300 -0.013 0.000 0.856 42 R HN 0.287 nan 8.270 nan 0.000 0.437 43 K N 0.061 120.403 120.400 -0.097 0.000 2.057 43 K HA -0.056 4.263 4.320 -0.001 0.000 0.207 43 K C 2.279 178.806 176.600 -0.120 0.000 1.049 43 K CA 1.512 57.749 56.287 -0.083 0.000 0.931 43 K CB -0.038 32.437 32.500 -0.041 0.000 0.714 43 K HN 0.026 nan 8.250 nan 0.000 0.440 44 S N 1.219 116.822 115.700 -0.161 0.000 2.383 44 S HA -0.153 4.316 4.470 -0.001 0.000 0.227 44 S C 1.896 176.349 174.600 -0.245 0.000 1.026 44 S CA 1.077 59.175 58.200 -0.170 0.000 0.981 44 S CB -0.111 62.997 63.200 -0.154 0.000 0.818 44 S HN 0.303 nan 8.310 nan 0.000 0.472 45 Q N 0.773 120.315 119.800 -0.430 0.000 2.077 45 Q HA -0.149 4.190 4.340 -0.001 0.000 0.206 45 Q C 2.515 178.402 176.000 -0.188 0.000 0.989 45 Q CA 1.623 57.190 55.803 -0.393 0.000 0.853 45 Q CB -0.387 28.055 28.738 -0.492 0.000 0.907 45 Q HN 0.606 nan 8.270 nan 0.000 0.418 46 A N 0.707 123.435 122.820 -0.153 0.000 1.898 46 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 46 A C 2.024 179.570 177.584 -0.062 0.000 1.181 46 A CA 1.055 53.040 52.037 -0.087 0.000 0.620 46 A CB -0.596 18.361 19.000 -0.072 0.000 0.819 46 A HN 0.309 nan 8.150 nan 0.000 0.442 47 I N -0.423 120.102 120.570 -0.074 0.000 2.226 47 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 47 I C 2.337 178.434 176.117 -0.033 0.000 1.100 47 I CA 1.221 62.486 61.300 -0.060 0.000 1.374 47 I CB -0.284 37.665 38.000 -0.085 0.000 1.057 47 I HN 0.162 nan 8.210 nan 0.000 0.413 48 V N 0.329 120.223 119.914 -0.033 0.000 2.358 48 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 48 V C 2.471 178.606 176.094 0.069 0.000 1.047 48 V CA 1.679 63.999 62.300 0.032 0.000 1.035 48 V CB -0.756 31.098 31.823 0.051 0.000 0.658 48 V HN 0.495 nan 8.190 nan 0.000 0.452 49 Q N 0.265 120.074 119.800 0.014 0.000 2.077 49 Q HA -0.297 4.042 4.340 -0.001 0.000 0.206 49 Q C 2.323 178.332 176.000 0.015 0.000 0.989 49 Q CA 2.346 58.154 55.803 0.008 0.000 0.853 49 Q CB -0.301 28.427 28.738 -0.018 0.000 0.907 49 Q HN 0.759 nan 8.270 nan 0.000 0.418 50 Q N -0.967 118.844 119.800 0.018 0.000 2.119 50 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 50 Q C 2.035 178.056 176.000 0.035 0.000 0.972 50 Q CA 1.169 56.981 55.803 0.015 0.000 0.847 50 Q CB -0.217 28.528 28.738 0.010 0.000 0.903 50 Q HN 0.385 nan 8.270 nan 0.000 0.433 51 F N 0.102 119.996 119.950 -0.093 0.000 2.113 51 F HA 0.017 4.543 4.527 -0.001 0.000 0.297 51 F C 1.727 177.476 175.800 -0.086 0.000 1.103 51 F CA 1.860 59.792 58.000 -0.113 0.000 1.248 51 F CB -0.345 38.544 39.000 -0.186 0.000 0.999 51 F HN 0.083 nan 8.300 nan 0.000 0.475 52 G N -0.044 108.726 108.800 -0.049 0.000 3.371 52 G HA2 0.405 4.364 3.960 -0.001 0.000 0.248 52 G HA3 0.405 4.364 3.960 -0.001 0.000 0.248 52 G C 0.303 175.141 174.900 -0.103 0.000 1.161 52 G CA 0.214 45.232 45.100 -0.136 0.000 0.796 52 G HN 0.568 nan 8.290 nan 0.000 0.539 53 A N 0.799 123.563 122.820 -0.094 0.000 2.386 53 A HA 0.586 4.905 4.320 -0.001 0.000 0.248 53 A C -2.159 175.377 177.584 -0.080 0.000 1.082 53 A CA -1.010 50.987 52.037 -0.066 0.000 0.789 53 A CB 0.213 19.184 19.000 -0.050 0.000 1.025 53 A HN 0.156 nan 8.150 nan 0.000 0.490 54 P HA 0.204 nan 4.420 nan 0.000 0.262 54 P C 0.936 178.199 177.300 -0.061 0.000 1.182 54 P CA 1.988 65.055 63.100 -0.054 0.000 0.761 54 P CB 0.422 32.100 31.700 -0.036 0.000 0.795 55 G N 2.205 110.964 108.800 -0.067 0.000 2.166 55 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.260 55 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.260 55 G C 0.662 175.513 174.900 -0.082 0.000 0.986 55 G CA 0.002 45.063 45.100 -0.065 0.000 0.683 55 G HN 0.867 nan 8.290 nan 0.000 0.527 56 G N -1.416 107.315 108.800 -0.116 0.000 2.525 56 G HA2 0.581 4.541 3.960 -0.001 0.000 0.287 56 G HA3 0.581 4.541 3.960 -0.001 0.000 0.287 56 G C 1.143 175.922 174.900 -0.202 0.000 1.350 56 G CA 0.052 45.064 45.100 -0.147 0.000 1.039 56 G HN 0.748 nan 8.290 nan 0.000 0.513 57 L N 0.572 121.647 121.223 -0.246 0.000 2.017 57 L HA 0.088 4.427 4.340 -0.001 0.000 0.208 57 L C 2.847 179.426 176.870 -0.485 0.000 1.073 57 L CA 2.807 57.488 54.840 -0.265 0.000 0.745 57 L CB -1.054 40.915 42.059 -0.150 0.000 0.894 57 L HN 0.594 nan 8.230 nan 0.000 0.432 58 G N -0.928 107.261 108.800 -1.019 0.000 2.513 58 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.219 58 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.219 58 G C 1.435 176.075 174.900 -0.434 0.000 1.160 58 G CA 1.008 45.407 45.100 -1.168 0.000 0.767 58 G HN 0.569 nan 8.290 nan 0.000 0.571 59 E N -0.284 119.732 120.200 -0.307 0.000 2.150 59 E HA -0.079 4.270 4.350 -0.001 0.000 0.193 59 E C 2.754 179.283 176.600 -0.119 0.000 0.985 59 E CA 1.263 57.566 56.400 -0.162 0.000 0.814 59 E CB -0.205 29.419 29.700 -0.125 0.000 0.752 59 E HN 0.370 nan 8.360 nan 0.000 0.466 60 T N 1.703 116.179 114.554 -0.130 0.000 2.737 60 T HA -0.098 4.251 4.350 -0.001 0.000 0.265 60 T C 1.996 176.663 174.700 -0.054 0.000 1.038 60 T CA 0.795 62.847 62.100 -0.079 0.000 1.144 60 T CB -0.145 68.681 68.868 -0.070 0.000 0.866 60 T HN 0.088 nan 8.240 nan 0.000 0.434 61 L N 0.776 121.964 121.223 -0.059 0.000 2.093 61 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 61 L C 2.854 179.724 176.870 0.001 0.000 1.085 61 L CA 1.119 55.959 54.840 -0.000 0.000 0.755 61 L CB -0.538 41.559 42.059 0.062 0.000 0.904 61 L HN 0.230 nan 8.230 nan 0.000 0.435 62 Q N 0.344 120.131 119.800 -0.022 0.000 2.096 62 Q HA -0.282 4.057 4.340 -0.001 0.000 0.204 62 Q C 2.155 178.132 176.000 -0.040 0.000 0.982 62 Q CA 1.831 57.629 55.803 -0.009 0.000 0.850 62 Q CB -0.148 28.585 28.738 -0.009 0.000 0.901 62 Q HN 0.297 nan 8.270 nan 0.000 0.422 63 Q N 0.286 120.061 119.800 -0.040 0.000 2.084 63 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 63 Q C 1.624 177.605 176.000 -0.031 0.000 0.978 63 Q CA 1.918 57.698 55.803 -0.039 0.000 0.844 63 Q CB -0.020 28.698 28.738 -0.034 0.000 0.898 63 Q HN 0.404 nan 8.270 nan 0.000 0.426 64 K N -0.529 119.861 120.400 -0.016 0.000 2.147 64 K HA -0.129 4.190 4.320 -0.001 0.000 0.205 64 K C 1.862 178.463 176.600 0.001 0.000 1.049 64 K CA 1.023 57.312 56.287 0.004 0.000 0.936 64 K CB -0.176 32.338 32.500 0.024 0.000 0.722 64 K HN 0.183 nan 8.250 nan 0.000 0.446 65 L N 1.251 122.456 121.223 -0.030 0.000 2.072 65 L HA -0.084 4.255 4.340 -0.001 0.000 0.205 65 L C 1.779 178.551 176.870 -0.163 0.000 1.079 65 L CA 1.415 56.197 54.840 -0.096 0.000 0.752 65 L CB -0.273 41.678 42.059 -0.181 0.000 0.906 65 L HN 0.111 nan 8.230 nan 0.000 0.436 66 L N -0.678 120.461 121.223 -0.140 0.000 2.083 66 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 66 L C 2.483 179.316 176.870 -0.062 0.000 1.083 66 L CA 1.456 56.221 54.840 -0.125 0.000 0.752 66 L CB -0.566 41.437 42.059 -0.092 0.000 0.899 66 L HN 0.374 nan 8.230 nan 0.000 0.433 67 E N -0.235 119.945 120.200 -0.033 0.000 2.072 67 E HA -0.249 4.100 4.350 -0.001 0.000 0.191 67 E C 2.243 178.852 176.600 0.015 0.000 0.985 67 E CA 0.855 57.253 56.400 -0.004 0.000 0.801 67 E CB -0.136 29.567 29.700 0.004 0.000 0.750 67 E HN 0.357 nan 8.360 nan 0.000 0.452 68 R N 1.341 121.856 120.500 0.025 0.000 2.081 68 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 68 R C 2.444 178.800 176.300 0.094 0.000 1.131 68 R CA 1.646 57.787 56.100 0.067 0.000 0.960 68 R CB -0.091 30.274 30.300 0.108 0.000 0.856 68 R HN 0.173 nan 8.270 nan 0.000 0.436 69 Q N 0.491 120.328 119.800 0.062 0.000 2.096 69 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 69 Q C 1.863 177.920 176.000 0.096 0.000 0.982 69 Q CA 2.007 57.887 55.803 0.128 0.000 0.850 69 Q CB -0.065 28.671 28.738 -0.003 0.000 0.901 69 Q HN 0.475 nan 8.270 nan 0.000 0.422 70 E N 0.098 120.325 120.200 0.045 0.000 2.106 70 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 70 E C 1.512 178.137 176.600 0.041 0.000 0.984 70 E CA 0.918 57.340 56.400 0.037 0.000 0.806 70 E CB 0.178 29.889 29.700 0.018 0.000 0.750 70 E HN 0.298 nan 8.360 nan 0.000 0.458 71 K N 0.155 120.580 120.400 0.043 0.000 2.418 71 K HA 0.006 4.325 4.320 -0.001 0.000 0.195 71 K C 0.672 177.297 176.600 0.042 0.000 1.035 71 K CA 0.871 57.182 56.287 0.039 0.000 1.003 71 K CB 0.503 33.025 32.500 0.036 0.000 0.793 71 K HN 0.168 nan 8.250 nan 0.000 0.494 72 T N -4.387 110.202 114.554 0.057 0.000 2.916 72 T HA 0.544 4.893 4.350 -0.001 0.000 0.292 72 T C 0.888 175.620 174.700 0.053 0.000 1.064 72 T CA -0.670 61.459 62.100 0.049 0.000 1.011 72 T CB 2.007 70.903 68.868 0.046 0.000 1.152 72 T HN -0.085 nan 8.240 nan 0.000 0.510 73 A N 0.853 123.691 122.820 0.030 0.000 1.968 73 A HA 0.212 4.531 4.320 -0.001 0.000 0.217 73 A C 1.108 178.698 177.584 0.010 0.000 1.169 73 A CA 0.742 52.794 52.037 0.025 0.000 0.638 73 A CB -0.531 18.477 19.000 0.014 0.000 0.812 73 A HN 0.836 nan 8.150 nan 0.000 0.446 74 N N -0.403 118.279 118.700 -0.030 0.000 2.571 74 N HA 0.080 4.819 4.740 -0.001 0.000 0.286 74 N C 0.229 175.634 175.510 -0.175 0.000 1.138 74 N CA -0.564 52.393 53.050 -0.154 0.000 0.859 74 N CB 0.519 38.892 38.487 -0.191 0.000 1.414 74 N HN 0.467 nan 8.380 nan 0.000 0.529 75 W N 3.130 124.392 121.300 -0.064 0.000 2.632 75 W HA 0.094 4.753 4.660 -0.001 0.000 0.248 75 W C 0.097 176.541 176.519 -0.125 0.000 1.259 75 W CA 0.023 57.316 57.345 -0.086 0.000 1.288 75 W CB -0.456 28.981 29.460 -0.038 0.000 1.136 75 W HN 0.279 nan 8.180 nan 0.000 0.640 76 V N 0.544 120.142 119.914 -0.526 0.000 3.604 76 V HA -0.064 4.055 4.120 -0.001 0.000 0.277 76 V C 2.206 178.216 176.094 -0.139 0.000 1.399 76 V CA 1.085 63.190 62.300 -0.325 0.000 1.034 76 V CB 0.261 31.700 31.823 -0.640 0.000 0.824 76 V HN 0.006 nan 8.190 nan 0.000 0.439 77 S N 0.486 116.080 115.700 -0.178 0.000 2.378 77 S HA -0.339 4.130 4.470 -0.001 0.000 0.229 77 S C 1.781 176.439 174.600 0.097 0.000 1.052 77 S CA 2.557 60.746 58.200 -0.018 0.000 1.084 77 S CB -0.276 62.898 63.200 -0.043 0.000 0.950 77 S HN 0.805 nan 8.310 nan 0.000 0.440 78 E N -0.022 120.162 120.200 -0.026 0.000 2.031 78 E HA -0.159 4.190 4.350 -0.001 0.000 0.193 78 E C 1.889 178.580 176.600 0.152 0.000 0.994 78 E CA 1.221 57.632 56.400 0.018 0.000 0.800 78 E CB -0.254 29.392 29.700 -0.090 0.000 0.752 78 E HN 0.745 nan 8.360 nan 0.000 0.447 79 Y N -1.229 119.155 120.300 0.139 0.000 2.128 79 Y HA -0.256 4.293 4.550 -0.001 0.000 0.284 79 Y C 2.306 178.287 175.900 0.134 0.000 1.154 79 Y CA 0.630 58.803 58.100 0.123 0.000 1.149 79 Y CB -0.444 38.106 38.460 0.149 0.000 0.976 79 Y HN 0.331 nan 8.280 nan 0.000 0.505 80 W N 0.914 122.309 121.300 0.159 0.000 2.354 80 W HA -0.254 4.405 4.660 -0.002 0.000 0.315 80 W C 2.286 178.845 176.519 0.067 0.000 1.206 80 W CA 1.514 58.908 57.345 0.082 0.000 1.290 80 W CB -0.642 28.838 29.460 0.034 0.000 1.152 80 W HN 0.059 nan 8.180 nan 0.000 0.489 81 L N 1.750 123.142 121.223 0.281 0.000 2.043 81 L HA -0.278 4.061 4.340 -0.001 0.000 0.212 81 L C 1.920 178.776 176.870 -0.023 0.000 1.075 81 L CA 2.295 57.214 54.840 0.131 0.000 0.752 81 L CB -1.204 40.995 42.059 0.234 0.000 0.891 81 L HN 0.006 nan 8.230 nan 0.000 0.432 82 N N -0.477 118.233 118.700 0.017 0.000 2.173 82 N HA -0.164 4.575 4.740 -0.001 0.000 0.184 82 N C 1.607 177.054 175.510 -0.106 0.000 1.025 82 N CA 1.530 54.572 53.050 -0.013 0.000 0.852 82 N CB -0.374 38.142 38.487 0.048 0.000 0.998 82 N HN 0.497 nan 8.380 nan 0.000 0.427 83 D N 0.094 120.417 120.400 -0.128 0.000 2.117 83 D HA -0.090 4.549 4.640 -0.001 0.000 0.198 83 D C 1.895 177.975 176.300 -0.367 0.000 0.982 83 D CA 0.844 54.732 54.000 -0.188 0.000 0.828 83 D CB 0.111 40.843 40.800 -0.113 0.000 0.967 83 D HN -0.004 nan 8.370 nan 0.000 0.464 84 M N -1.509 117.704 119.600 -0.646 0.000 2.193 84 M HA 0.050 4.529 4.480 -0.001 0.000 0.265 84 M C 0.602 176.197 176.300 -1.176 0.000 1.071 84 M CA 1.485 56.141 55.300 -1.074 0.000 1.140 84 M CB 0.029 31.539 32.600 -1.816 0.000 1.369 84 M HN 0.195 nan 8.290 nan 0.000 0.423 85 Y N -2.478 117.567 120.300 -0.424 0.000 3.105 85 Y HA 0.243 4.792 4.550 -0.001 0.000 0.216 85 Y C 1.712 177.503 175.900 -0.181 0.000 0.943 85 Y CA -0.188 57.736 58.100 -0.294 0.000 1.535 85 Y CB -0.196 38.087 38.460 -0.295 0.000 1.475 85 Y HN -0.177 nan 8.280 nan 0.000 0.435 86 L N 0.804 122.045 121.223 0.030 0.000 2.089 86 L HA -0.282 4.057 4.340 -0.001 0.000 0.213 86 L C 1.407 178.263 176.870 -0.023 0.000 1.079 86 L CA 1.585 56.432 54.840 0.010 0.000 0.758 86 L CB -0.567 41.506 42.059 0.024 0.000 0.891 86 L HN 0.378 nan 8.230 nan 0.000 0.433 87 N N -0.349 118.318 118.700 -0.055 0.000 2.409 87 N HA -0.078 4.661 4.740 -0.001 0.000 0.179 87 N C 0.757 176.218 175.510 -0.081 0.000 1.032 87 N CA 0.332 53.342 53.050 -0.066 0.000 0.898 87 N CB -0.526 37.915 38.487 -0.076 0.000 0.971 87 N HN 0.225 nan 8.380 nan 0.000 0.441 88 N N 1.944 120.588 118.700 -0.093 0.000 2.440 88 N HA -0.035 4.704 4.740 -0.001 0.000 0.265 88 N C 0.688 176.155 175.510 -0.070 0.000 1.239 88 N CA 0.078 53.071 53.050 -0.095 0.000 0.909 88 N CB 0.524 38.945 38.487 -0.110 0.000 1.066 88 N HN -0.047 nan 8.380 nan 0.000 0.474 89 R N 2.786 123.239 120.500 -0.077 0.000 2.246 89 R HA 0.197 4.537 4.340 -0.001 0.000 0.199 89 R C 0.362 176.624 176.300 -0.063 0.000 0.984 89 R CA -0.025 56.032 56.100 -0.072 0.000 1.015 89 R CB -0.586 29.661 30.300 -0.088 0.000 0.930 89 R HN 0.536 nan 8.270 nan 0.000 0.475 90 L N 1.233 122.416 121.223 -0.066 0.000 2.483 90 L HA 0.076 4.415 4.340 -0.001 0.000 0.275 90 L C 0.743 177.573 176.870 -0.067 0.000 1.220 90 L CA -0.316 54.483 54.840 -0.068 0.000 0.833 90 L CB 0.129 42.152 42.059 -0.061 0.000 1.102 90 L HN 0.076 nan 8.230 nan 0.000 0.490 91 A N 2.897 125.665 122.820 -0.087 0.000 2.498 91 A HA 0.169 4.488 4.320 -0.001 0.000 0.239 91 A C 1.130 178.632 177.584 -0.137 0.000 1.068 91 A CA -0.236 51.726 52.037 -0.124 0.000 0.766 91 A CB 0.187 19.092 19.000 -0.158 0.000 1.003 91 A HN 0.818 nan 8.150 nan 0.000 0.497 92 L N 1.816 122.929 121.223 -0.183 0.000 2.046 92 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 92 L C -1.379 175.363 176.870 -0.212 0.000 1.077 92 L CA 0.675 55.416 54.840 -0.165 0.000 0.747 92 L CB -1.506 40.467 42.059 -0.144 0.000 0.896 92 L HN 0.427 nan 8.230 nan 0.000 0.432 93 P HA 0.034 nan 4.420 nan 0.000 0.264 93 P C 0.739 177.990 177.300 -0.081 0.000 1.193 93 P CA 0.738 63.631 63.100 -0.345 0.000 0.763 93 P CB 1.100 32.486 31.700 -0.524 0.000 0.810 94 V N 1.474 121.395 119.914 0.013 0.000 0.456 94 V HA -0.426 3.693 4.120 -0.001 0.000 0.092 94 V C 2.067 178.235 176.094 0.123 0.000 2.503 94 V CA 2.476 64.829 62.300 0.088 0.000 3.694 94 V CB -1.619 30.303 31.823 0.164 0.000 0.970 94 V HN 0.638 nan 8.190 nan 0.000 1.019 95 N N -0.960 117.800 118.700 0.101 0.000 2.188 95 N HA -0.077 4.662 4.740 -0.001 0.000 0.184 95 N C 1.775 177.328 175.510 0.072 0.000 1.018 95 N CA 2.076 55.192 53.050 0.110 0.000 0.858 95 N CB 0.151 38.669 38.487 0.052 0.000 0.989 95 N HN 0.743 nan 8.380 nan 0.000 0.426 96 S N -0.887 114.847 115.700 0.056 0.000 3.056 96 S HA 0.158 4.627 4.470 -0.001 0.000 0.255 96 S C 0.170 174.842 174.600 0.119 0.000 1.079 96 S CA -0.403 57.849 58.200 0.086 0.000 0.810 96 S CB -0.009 63.234 63.200 0.073 0.000 0.810 96 S HN 0.022 nan 8.310 nan 0.000 0.477 97 S N 4.850 120.591 115.700 0.069 0.000 2.405 97 S HA 0.393 4.863 4.470 -0.001 0.000 0.291 97 S C -2.473 172.168 174.600 0.068 0.000 1.137 97 S CA -0.877 57.357 58.200 0.057 0.000 1.061 97 S CB 1.079 64.334 63.200 0.092 0.000 1.001 97 S HN 0.523 nan 8.310 nan 0.000 0.507 98 P HA 0.440 nan 4.420 nan 0.000 0.274 98 P C -1.100 176.206 177.300 0.010 0.000 1.256 98 P CA -0.581 62.577 63.100 0.096 0.000 0.795 98 P CB 0.808 32.574 31.700 0.109 0.000 1.038 99 A N 0.797 123.618 122.820 0.003 0.000 2.414 99 A HA 0.604 4.923 4.320 -0.001 0.000 0.306 99 A C -1.090 176.433 177.584 -0.102 0.000 1.054 99 A CA -0.672 51.315 52.037 -0.084 0.000 0.724 99 A CB 1.442 20.366 19.000 -0.128 0.000 1.267 99 A HN 0.273 nan 8.150 nan 0.000 0.418 100 V N 2.820 122.632 119.914 -0.170 0.000 2.409 100 V HA 0.393 4.512 4.120 -0.001 0.000 0.291 100 V C -0.881 174.983 176.094 -0.384 0.000 1.020 100 V CA -0.270 61.918 62.300 -0.186 0.000 0.848 100 V CB 1.158 32.964 31.823 -0.029 0.000 0.990 100 V HN 0.694 nan 8.190 nan 0.000 0.430 101 I N 5.753 125.974 120.570 -0.581 0.000 2.359 101 I HA 0.484 4.653 4.170 -0.001 0.000 0.294 101 I C -0.038 175.903 176.117 -0.292 0.000 0.987 101 I CA 0.057 60.977 61.300 -0.633 0.000 1.225 101 I CB 0.795 38.228 38.000 -0.945 0.000 1.366 101 I HN 0.296 nan 8.210 nan 0.000 0.466 102 F N 3.444 123.309 119.950 -0.142 0.000 2.348 102 F HA 0.694 5.220 4.527 -0.002 0.000 0.308 102 F C 1.003 176.797 175.800 -0.010 0.000 1.175 102 F CA -1.537 56.447 58.000 -0.026 0.000 1.080 102 F CB 0.011 39.066 39.000 0.091 0.000 1.341 102 F HN 0.476 nan 8.300 nan 0.000 0.518 103 A N 0.894 123.868 122.820 0.256 0.000 2.386 103 A HA 0.256 4.575 4.320 -0.001 0.000 0.246 103 A C 0.650 178.290 177.584 0.094 0.000 1.089 103 A CA -0.477 51.654 52.037 0.158 0.000 0.790 103 A CB 0.076 19.150 19.000 0.124 0.000 1.042 103 A HN 0.620 nan 8.150 nan 0.000 0.497 104 R N 0.660 121.191 120.500 0.052 0.000 2.537 104 R HA 0.106 4.445 4.340 -0.001 0.000 0.280 104 R C -0.609 175.634 176.300 -0.096 0.000 1.058 104 R CA 0.293 56.379 56.100 -0.023 0.000 1.057 104 R CB 0.264 30.562 30.300 -0.004 0.000 0.973 104 R HN 0.787 nan 8.270 nan 0.000 0.438 105 Q N 2.020 121.662 119.800 -0.263 0.000 2.297 105 Q HA 0.228 4.568 4.340 -0.001 0.000 0.269 105 Q C -0.833 174.871 176.000 -0.494 0.000 1.051 105 Q CA -0.776 54.760 55.803 -0.445 0.000 0.869 105 Q CB 1.899 30.100 28.738 -0.896 0.000 1.346 105 Q HN 0.571 nan 8.270 nan 0.000 0.457 106 H N 0.486 119.258 119.070 -0.496 0.000 2.646 106 H HA 0.433 4.989 4.556 -0.001 0.000 0.328 106 H C -1.582 173.681 175.328 -0.107 0.000 0.998 106 H CA -0.429 55.438 56.048 -0.302 0.000 1.225 106 H CB 0.089 29.794 29.762 -0.095 0.000 1.457 106 H HN 0.453 nan 8.280 nan 0.000 0.505 107 F N 7.558 127.258 119.950 -0.417 0.000 2.363 107 F HA 0.246 4.773 4.527 -0.001 0.000 0.366 107 F C -1.650 173.910 175.800 -0.401 0.000 1.083 107 F CA -2.074 55.731 58.000 -0.325 0.000 1.176 107 F CB 1.464 40.374 39.000 -0.150 0.000 1.432 107 F HN 0.534 nan 8.300 nan 0.000 0.482 108 P HA -0.126 nan 4.420 nan 0.000 0.214 108 P C 0.828 178.111 177.300 -0.029 0.000 1.163 108 P CA 1.010 64.007 63.100 -0.172 0.000 0.889 108 P CB 0.282 31.941 31.700 -0.067 0.000 0.790 109 G N -2.816 105.984 108.800 0.000 0.000 2.511 109 G HA2 0.331 4.290 3.960 -0.001 0.000 0.318 109 G HA3 0.331 4.290 3.960 -0.001 0.000 0.318 109 G C 0.693 175.603 174.900 0.016 0.000 1.210 109 G CA -0.170 44.941 45.100 0.018 0.000 0.969 109 G HN -0.136 nan 8.290 nan 0.000 0.484 110 T N 0.524 115.087 114.554 0.014 0.000 2.737 110 T HA -0.134 4.215 4.350 -0.001 0.000 0.269 110 T C 1.796 176.490 174.700 -0.009 0.000 1.040 110 T CA 1.825 63.922 62.100 -0.005 0.000 1.142 110 T CB -0.153 68.709 68.868 -0.009 0.000 0.861 110 T HN 0.498 nan 8.240 nan 0.000 0.456 111 D N 1.231 121.666 120.400 0.058 0.000 2.178 111 D HA -0.093 4.546 4.640 -0.001 0.000 0.201 111 D C 1.904 178.252 176.300 0.080 0.000 0.980 111 D CA 0.857 54.980 54.000 0.204 0.000 0.842 111 D CB -0.293 40.669 40.800 0.270 0.000 0.948 111 D HN 0.440 nan 8.370 nan 0.000 0.472 112 D N 0.558 120.924 120.400 -0.056 0.000 2.117 112 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 112 D C 1.998 177.938 176.300 -0.599 0.000 0.987 112 D CA 0.652 54.553 54.000 -0.164 0.000 0.829 112 D CB -0.143 40.646 40.800 -0.019 0.000 0.961 112 D HN 0.378 nan 8.370 nan 0.000 0.460 113 Q N 0.698 120.016 119.800 -0.802 0.000 2.050 113 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 113 Q C 2.420 178.165 176.000 -0.424 0.000 0.980 113 Q CA 0.884 55.980 55.803 -1.179 0.000 0.840 113 Q CB -0.094 28.359 28.738 -0.476 0.000 0.898 113 Q HN 0.271 nan 8.270 nan 0.000 0.424 114 L N 0.027 121.170 121.223 -0.135 0.000 2.141 114 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 114 L C 2.719 179.702 176.870 0.189 0.000 1.094 114 L CA 0.924 55.798 54.840 0.055 0.000 0.763 114 L CB -0.389 41.709 42.059 0.065 0.000 0.908 114 L HN 0.198 nan 8.230 nan 0.000 0.437 115 R N -0.550 120.031 120.500 0.135 0.000 2.075 115 R HA -0.166 4.173 4.340 -0.001 0.000 0.232 115 R C 2.302 178.630 176.300 0.046 0.000 1.126 115 R CA 1.558 57.679 56.100 0.035 0.000 0.963 115 R CB -0.470 29.756 30.300 -0.122 0.000 0.858 115 R HN 0.185 nan 8.270 nan 0.000 0.435 116 F N 1.518 121.394 119.950 -0.123 0.000 2.069 116 F HA -0.224 4.302 4.527 -0.002 0.000 0.298 116 F C 2.368 178.173 175.800 0.008 0.000 1.113 116 F CA 1.668 59.649 58.000 -0.032 0.000 1.214 116 F CB -0.412 38.578 39.000 -0.018 0.000 0.978 116 F HN -0.001 nan 8.300 nan 0.000 0.474 117 A N 0.251 123.191 122.820 0.200 0.000 1.940 117 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 117 A C 2.370 179.959 177.584 0.007 0.000 1.176 117 A CA 1.957 54.066 52.037 0.120 0.000 0.631 117 A CB -1.585 17.490 19.000 0.125 0.000 0.814 117 A HN 0.541 nan 8.150 nan 0.000 0.446 118 A N -0.756 122.081 122.820 0.027 0.000 1.877 118 A HA -0.102 4.217 4.320 -0.001 0.000 0.216 118 A C 2.514 180.070 177.584 -0.046 0.000 1.186 118 A CA 2.219 54.267 52.037 0.018 0.000 0.620 118 A CB -1.070 17.988 19.000 0.097 0.000 0.822 118 A HN 0.658 nan 8.150 nan 0.000 0.443 119 S N -0.601 115.049 115.700 -0.083 0.000 2.368 119 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 119 S C 1.997 176.493 174.600 -0.173 0.000 1.030 119 S CA 1.474 59.607 58.200 -0.111 0.000 0.999 119 S CB -0.514 62.593 63.200 -0.156 0.000 0.844 119 S HN 0.510 nan 8.310 nan 0.000 0.459 120 L N 0.764 121.815 121.223 -0.287 0.000 2.012 120 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 120 L C 2.292 178.981 176.870 -0.302 0.000 1.073 120 L CA 1.762 56.402 54.840 -0.333 0.000 0.748 120 L CB -0.372 41.493 42.059 -0.323 0.000 0.891 120 L HN 0.424 nan 8.230 nan 0.000 0.431 121 I N -1.039 119.402 120.570 -0.216 0.000 2.226 121 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 121 I C 2.544 178.543 176.117 -0.196 0.000 1.100 121 I CA 1.229 62.410 61.300 -0.198 0.000 1.374 121 I CB -0.334 37.604 38.000 -0.103 0.000 1.057 121 I HN 0.223 nan 8.210 nan 0.000 0.413 122 S N 0.829 116.440 115.700 -0.150 0.000 2.356 122 S HA -0.134 4.335 4.470 -0.001 0.000 0.223 122 S C 2.166 176.601 174.600 -0.275 0.000 1.032 122 S CA 1.430 59.553 58.200 -0.127 0.000 1.005 122 S CB -0.776 62.415 63.200 -0.016 0.000 0.867 122 S HN 0.645 nan 8.310 nan 0.000 0.449 123 G N 1.516 110.079 108.800 -0.396 0.000 2.476 123 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 123 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 123 G C 1.480 176.129 174.900 -0.419 0.000 1.164 123 G CA 1.211 45.877 45.100 -0.723 0.000 0.768 123 G HN 0.417 nan 8.290 nan 0.000 0.560 124 V N 1.093 120.799 119.914 -0.346 0.000 2.324 124 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 124 V C 2.949 178.852 176.094 -0.319 0.000 1.060 124 V CA 1.752 63.860 62.300 -0.320 0.000 1.042 124 V CB -0.461 31.122 31.823 -0.401 0.000 0.650 124 V HN 0.375 nan 8.190 nan 0.000 0.450 125 L N 0.662 121.721 121.223 -0.273 0.000 2.046 125 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 125 L C 2.691 179.464 176.870 -0.162 0.000 1.077 125 L CA 1.886 56.597 54.840 -0.214 0.000 0.747 125 L CB -0.800 41.171 42.059 -0.145 0.000 0.896 125 L HN 0.568 nan 8.230 nan 0.000 0.432 126 S N -1.245 114.361 115.700 -0.156 0.000 2.406 126 S HA -0.218 4.251 4.470 -0.001 0.000 0.228 126 S C 2.033 176.578 174.600 -0.091 0.000 1.020 126 S CA 0.523 58.667 58.200 -0.093 0.000 0.965 126 S CB -0.694 62.479 63.200 -0.046 0.000 0.798 126 S HN 0.413 nan 8.310 nan 0.000 0.488 127 Y N 2.471 122.630 120.300 -0.234 0.000 2.200 127 Y HA 0.038 4.587 4.550 -0.002 0.000 0.290 127 Y C 2.514 178.307 175.900 -0.179 0.000 1.137 127 Y CA 1.865 59.809 58.100 -0.260 0.000 1.163 127 Y CB -0.308 38.007 38.460 -0.242 0.000 0.988 127 Y HN 0.237 nan 8.280 nan 0.000 0.518 128 K N -0.170 120.164 120.400 -0.110 0.000 2.283 128 K HA -0.118 4.201 4.320 -0.001 0.000 0.202 128 K C 2.066 178.575 176.600 -0.152 0.000 1.048 128 K CA 0.897 57.090 56.287 -0.156 0.000 0.948 128 K CB -0.219 32.069 32.500 -0.352 0.000 0.742 128 K HN 0.383 nan 8.250 nan 0.000 0.458 129 A N 1.075 123.805 122.820 -0.151 0.000 1.897 129 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 129 A C 2.004 179.491 177.584 -0.161 0.000 1.181 129 A CA 0.887 52.851 52.037 -0.122 0.000 0.620 129 A CB -0.453 18.494 19.000 -0.089 0.000 0.821 129 A HN 0.272 nan 8.150 nan 0.000 0.443 130 L N -0.470 120.619 121.223 -0.224 0.000 2.083 130 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 130 L C 2.541 179.235 176.870 -0.294 0.000 1.083 130 L CA 1.051 55.733 54.840 -0.263 0.000 0.752 130 L CB -0.568 41.266 42.059 -0.375 0.000 0.899 130 L HN 0.383 nan 8.230 nan 0.000 0.433 131 L N -0.695 120.317 121.223 -0.352 0.000 2.027 131 L HA -0.190 4.149 4.340 -0.001 0.000 0.206 131 L C 2.178 178.930 176.870 -0.197 0.000 1.074 131 L CA 1.063 55.712 54.840 -0.318 0.000 0.745 131 L CB -0.670 41.201 42.059 -0.313 0.000 0.898 131 L HN 0.266 nan 8.230 nan 0.000 0.433 132 D N -0.151 120.155 120.400 -0.156 0.000 2.263 132 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 132 D C 2.019 178.160 176.300 -0.265 0.000 0.971 132 D CA 1.593 55.498 54.000 -0.157 0.000 0.867 132 D CB 0.017 40.780 40.800 -0.061 0.000 0.929 132 D HN 0.377 nan 8.370 nan 0.000 0.492 133 S N -0.549 115.022 115.700 -0.215 0.000 2.557 133 S HA -0.023 4.446 4.470 -0.001 0.000 0.223 133 S C 0.399 174.975 174.600 -0.040 0.000 0.969 133 S CA -0.412 57.713 58.200 -0.124 0.000 0.927 133 S CB -0.276 62.871 63.200 -0.089 0.000 0.806 133 S HN 0.188 nan 8.310 nan 0.000 0.489 134 H N 0.622 119.714 119.070 0.037 0.000 2.741 134 H HA -0.123 4.433 4.556 -0.001 0.000 0.305 134 H C 0.325 175.642 175.328 -0.018 0.000 1.169 134 H CA 0.904 56.988 56.048 0.059 0.000 1.144 134 H CB -2.195 27.592 29.762 0.042 0.000 1.397 134 H HN 0.532 nan 8.280 nan 0.000 0.409 135 S N -0.244 115.444 115.700 -0.020 0.000 2.556 135 S HA 0.160 4.629 4.470 -0.001 0.000 0.216 135 S C 1.176 175.717 174.600 -0.099 0.000 0.970 135 S CA -0.375 57.795 58.200 -0.050 0.000 0.912 135 S CB 0.914 64.072 63.200 -0.070 0.000 0.790 135 S HN 0.435 nan 8.310 nan 0.000 0.504 136 I N 3.886 124.355 120.570 -0.168 0.000 2.533 136 I HA 0.163 4.332 4.170 -0.001 0.000 0.284 136 I C -2.521 173.499 176.117 -0.162 0.000 1.109 136 I CA -2.274 58.878 61.300 -0.246 0.000 1.412 136 I CB 0.889 38.606 38.000 -0.472 0.000 1.396 136 I HN -0.037 nan 8.210 nan 0.000 0.543 137 P HA 0.036 nan 4.420 nan 0.000 0.263 137 P C -0.782 176.473 177.300 -0.076 0.000 1.195 137 P CA 0.013 63.074 63.100 -0.065 0.000 0.762 137 P CB 0.226 31.907 31.700 -0.032 0.000 0.799 138 T N 3.800 118.329 114.554 -0.042 0.000 2.867 138 T HA 0.018 4.367 4.350 -0.001 0.000 0.297 138 T C 0.321 175.020 174.700 -0.002 0.000 0.989 138 T CA 0.103 62.190 62.100 -0.021 0.000 1.159 138 T CB -0.208 68.658 68.868 -0.002 0.000 0.928 138 T HN 0.343 nan 8.240 nan 0.000 0.538 139 D N 1.731 122.146 120.400 0.024 0.000 2.382 139 D HA 0.226 4.865 4.640 -0.001 0.000 0.240 139 D C -0.146 176.173 176.300 0.032 0.000 1.146 139 D CA -0.037 53.993 54.000 0.050 0.000 0.897 139 D CB 0.781 41.648 40.800 0.111 0.000 1.197 139 D HN 0.474 nan 8.370 nan 0.000 0.432 140 C N 1.157 120.472 119.300 0.026 0.000 2.563 140 C HA 0.641 5.100 4.460 -0.001 0.000 0.314 140 C C 0.517 175.513 174.990 0.010 0.000 1.199 140 C CA -0.883 58.141 59.018 0.009 0.000 1.564 140 C CB 1.191 28.934 27.740 0.006 0.000 2.173 140 C HN 0.694 nan 8.230 nan 0.000 0.485 141 A N 3.226 126.043 122.820 -0.005 0.000 2.498 141 A HA 0.501 4.820 4.320 -0.001 0.000 0.239 141 A C 0.038 177.625 177.584 0.006 0.000 1.068 141 A CA 0.359 52.393 52.037 -0.005 0.000 0.766 141 A CB 0.111 19.096 19.000 -0.025 0.000 1.003 141 A HN 0.921 nan 8.150 nan 0.000 0.497 142 K N 1.694 122.103 120.400 0.015 0.000 2.482 142 K HA 0.797 5.117 4.320 -0.001 0.000 0.257 142 K C 0.411 177.026 176.600 0.025 0.000 0.969 142 K CA -0.454 55.845 56.287 0.020 0.000 0.842 142 K CB 1.507 34.022 32.500 0.025 0.000 1.359 142 K HN 1.958 nan 8.250 nan 0.000 0.441 143 G N 0.858 109.674 108.800 0.027 0.000 2.596 143 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.258 143 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.258 143 G C -0.980 173.939 174.900 0.031 0.000 1.207 143 G CA -0.433 44.687 45.100 0.034 0.000 0.954 143 G HN 0.597 nan 8.290 nan 0.000 0.551 144 Q N 1.596 121.419 119.800 0.037 0.000 2.286 144 Q HA 0.459 4.799 4.340 -0.001 0.000 0.267 144 Q C 0.866 176.880 176.000 0.024 0.000 1.028 144 Q CA 0.182 56.006 55.803 0.036 0.000 0.901 144 Q CB 0.446 29.213 28.738 0.047 0.000 1.183 144 Q HN 1.066 nan 8.270 nan 0.000 0.392 145 L N 1.940 123.175 121.223 0.019 0.000 3.460 145 L HA -0.247 4.092 4.340 -0.001 0.000 0.626 145 L C -0.179 176.691 176.870 0.001 0.000 1.036 145 L CA 0.304 55.150 54.840 0.010 0.000 1.167 145 L CB -1.928 40.137 42.059 0.009 0.000 1.331 145 L HN 0.743 nan 8.230 nan 0.000 0.754 146 S N -0.111 115.590 115.700 0.002 0.000 2.568 146 S HA 0.930 5.399 4.470 -0.001 0.000 0.302 146 S C 0.810 175.407 174.600 -0.004 0.000 1.082 146 S CA 0.166 58.366 58.200 -0.000 0.000 1.009 146 S CB 2.690 65.895 63.200 0.008 0.000 1.069 146 S HN 1.295 nan 8.310 nan 0.000 0.500 147 G N 0.904 109.700 108.800 -0.007 0.000 2.545 147 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.195 147 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.195 147 G C -0.235 174.656 174.900 -0.015 0.000 1.009 147 G CA -0.486 44.609 45.100 -0.008 0.000 0.703 147 G HN 0.785 nan 8.290 nan 0.000 0.479 148 Q N 1.528 121.311 119.800 -0.028 0.000 2.354 148 Q HA 0.473 4.812 4.340 -0.001 0.000 0.244 148 Q C -2.474 173.500 176.000 -0.044 0.000 0.969 148 Q CA -1.682 54.096 55.803 -0.042 0.000 0.885 148 Q CB 0.930 29.627 28.738 -0.069 0.000 1.241 148 Q HN 0.203 nan 8.270 nan 0.000 0.461 149 P HA 0.011 nan 4.420 nan 0.000 0.269 149 P C -0.936 176.337 177.300 -0.045 0.000 1.215 149 P CA 0.322 63.405 63.100 -0.029 0.000 0.780 149 P CB 0.540 32.226 31.700 -0.023 0.000 0.898 150 L N 1.103 122.317 121.223 -0.015 0.000 2.319 150 L HA 0.462 4.801 4.340 -0.001 0.000 0.267 150 L C 0.352 177.239 176.870 0.028 0.000 1.011 150 L CA -1.124 53.709 54.840 -0.012 0.000 0.818 150 L CB 1.907 43.977 42.059 0.018 0.000 1.316 150 L HN 0.430 nan 8.230 nan 0.000 0.432 151 C N 2.673 121.990 119.300 0.029 0.000 2.662 151 C HA 0.179 4.638 4.460 -0.001 0.000 0.420 151 C C 1.308 176.386 174.990 0.147 0.000 1.314 151 C CA -0.265 58.795 59.018 0.070 0.000 1.963 151 C CB 0.078 27.849 27.740 0.052 0.000 2.686 151 C HN 0.765 nan 8.230 nan 0.000 0.609 152 M N 4.369 124.092 119.600 0.204 0.000 2.313 152 M HA 0.104 4.584 4.480 -0.001 0.000 0.273 152 M C 1.808 178.375 176.300 0.446 0.000 1.049 152 M CA 0.195 55.712 55.300 0.361 0.000 1.004 152 M CB -0.977 31.797 32.600 0.289 0.000 1.461 152 M HN 0.831 nan 8.290 nan 0.000 0.514 153 K N 1.323 121.909 120.400 0.311 0.000 2.074 153 K HA -0.213 4.106 4.320 -0.001 0.000 0.209 153 K C 1.702 178.490 176.600 0.315 0.000 1.048 153 K CA 1.760 58.242 56.287 0.324 0.000 0.926 153 K CB 0.130 32.736 32.500 0.176 0.000 0.713 153 K HN 0.395 nan 8.250 nan 0.000 0.444 154 Q N -0.754 119.157 119.800 0.186 0.000 2.152 154 Q HA -0.223 4.116 4.340 -0.001 0.000 0.206 154 Q C 1.888 177.864 176.000 -0.039 0.000 0.985 154 Q CA 2.083 57.937 55.803 0.085 0.000 0.863 154 Q CB -0.247 28.481 28.738 -0.016 0.000 0.904 154 Q HN 0.456 nan 8.270 nan 0.000 0.422 155 Y N -1.281 118.971 120.300 -0.081 0.000 2.256 155 Y HA -0.238 4.311 4.550 -0.002 0.000 0.288 155 Y C 1.452 177.130 175.900 -0.370 0.000 1.155 155 Y CA 1.184 59.108 58.100 -0.294 0.000 1.203 155 Y CB -0.217 38.015 38.460 -0.380 0.000 0.980 155 Y HN 0.210 nan 8.280 nan 0.000 0.530 156 Y N -1.389 119.005 120.300 0.157 0.000 2.578 156 Y HA 0.088 4.637 4.550 -0.002 0.000 0.297 156 Y C 2.074 178.038 175.900 0.107 0.000 1.176 156 Y CA 0.548 58.724 58.100 0.127 0.000 1.315 156 Y CB -0.181 38.360 38.460 0.135 0.000 1.031 156 Y HN 0.056 nan 8.280 nan 0.000 0.524 157 G N -1.411 107.479 108.800 0.150 0.000 3.192 157 G HA2 0.070 4.029 3.960 -0.001 0.000 0.239 157 G HA3 0.070 4.029 3.960 -0.001 0.000 0.239 157 G C 1.332 176.304 174.900 0.119 0.000 1.084 157 G CA -0.120 45.098 45.100 0.197 0.000 0.784 157 G HN 0.294 nan 8.290 nan 0.000 0.540 158 L N -0.617 120.441 121.223 -0.275 0.000 2.012 158 L HA 0.021 4.360 4.340 -0.001 0.000 0.210 158 L C 2.075 178.622 176.870 -0.538 0.000 1.073 158 L CA 1.433 55.817 54.840 -0.759 0.000 0.748 158 L CB -0.255 41.083 42.059 -1.201 0.000 0.891 158 L HN 0.274 nan 8.230 nan 0.000 0.431 159 F N -2.316 117.686 119.950 0.086 0.000 2.724 159 F HA 0.081 4.608 4.527 -0.001 0.000 0.306 159 F C 2.021 177.896 175.800 0.124 0.000 1.100 159 F CA 0.097 58.165 58.000 0.113 0.000 1.255 159 F CB 0.051 39.104 39.000 0.087 0.000 1.072 159 F HN -0.034 nan 8.300 nan 0.000 0.589 160 S N -1.069 114.794 115.700 0.272 0.000 2.622 160 S HA 0.301 4.770 4.470 -0.001 0.000 0.236 160 S C 0.203 174.929 174.600 0.209 0.000 0.956 160 S CA -0.321 58.014 58.200 0.226 0.000 0.971 160 S CB -0.342 62.986 63.200 0.213 0.000 0.782 160 S HN -0.011 nan 8.310 nan 0.000 0.468 161 S N 0.743 116.577 115.700 0.223 0.000 2.566 161 S HA 0.718 5.187 4.470 -0.001 0.000 0.298 161 S C -1.514 173.245 174.600 0.264 0.000 1.083 161 S CA -0.665 57.666 58.200 0.218 0.000 0.978 161 S CB 1.423 64.734 63.200 0.185 0.000 1.073 161 S HN 0.525 nan 8.310 nan 0.000 0.491 162 Y N 1.149 121.522 120.300 0.121 0.000 2.479 162 Y HA 0.498 5.047 4.550 -0.001 0.000 0.338 162 Y C -0.723 175.253 175.900 0.126 0.000 1.055 162 Y CA -0.706 57.477 58.100 0.138 0.000 1.023 162 Y CB 1.240 39.787 38.460 0.145 0.000 1.287 162 Y HN 0.657 nan 8.280 nan 0.000 0.447 163 R N 7.114 127.433 120.500 -0.302 0.000 2.215 163 R HA 0.481 4.820 4.340 -0.001 0.000 0.337 163 R C -1.559 174.724 176.300 -0.028 0.000 1.010 163 R CA -0.427 55.612 56.100 -0.100 0.000 0.871 163 R CB 0.389 30.622 30.300 -0.113 0.000 1.134 163 R HN 0.812 nan 8.270 nan 0.000 0.477 164 L N 7.256 128.606 121.223 0.211 0.000 2.331 164 L HA 0.365 4.704 4.340 -0.001 0.000 0.278 164 L C -1.794 175.131 176.870 0.091 0.000 1.106 164 L CA -1.986 53.006 54.840 0.253 0.000 0.824 164 L CB 1.294 43.475 42.059 0.205 0.000 1.142 164 L HN 0.500 nan 8.230 nan 0.000 0.443 165 P HA 0.241 nan 4.420 nan 0.000 0.274 165 P C -0.521 176.730 177.300 -0.082 0.000 1.231 165 P CA -0.207 62.849 63.100 -0.073 0.000 0.790 165 P CB 1.222 32.744 31.700 -0.297 0.000 0.951 166 G N -0.615 108.162 108.800 -0.038 0.000 2.690 166 G HA2 0.271 4.230 3.960 -0.001 0.000 0.293 166 G HA3 0.271 4.230 3.960 -0.001 0.000 0.293 166 G C 0.003 174.918 174.900 0.025 0.000 1.399 166 G CA -0.318 44.779 45.100 -0.005 0.000 0.890 166 G HN 0.520 nan 8.290 nan 0.000 0.485 167 H N -0.141 118.902 119.070 -0.044 0.000 2.353 167 H HA -0.084 4.471 4.556 -0.001 0.000 0.300 167 H C 2.392 177.706 175.328 -0.023 0.000 1.090 167 H CA 3.365 59.393 56.048 -0.034 0.000 1.327 167 H CB 0.495 30.239 29.762 -0.030 0.000 1.383 167 H HN 0.546 nan 8.280 nan 0.000 0.508 168 T N -3.895 110.607 114.554 -0.088 0.000 3.028 168 T HA 0.149 4.498 4.350 -0.001 0.000 0.250 168 T C 0.688 175.348 174.700 -0.068 0.000 0.979 168 T CA -0.363 61.656 62.100 -0.135 0.000 1.004 168 T CB 0.491 69.319 68.868 -0.067 0.000 1.120 168 T HN 0.249 nan 8.240 nan 0.000 0.482 169 Q N 0.812 120.598 119.800 -0.023 0.000 2.305 169 Q HA 0.426 4.766 4.340 -0.001 0.000 0.271 169 Q C -1.770 174.233 176.000 0.005 0.000 1.046 169 Q CA -0.682 55.115 55.803 -0.010 0.000 0.798 169 Q CB 1.991 30.731 28.738 0.004 0.000 1.286 169 Q HN 0.149 nan 8.270 nan 0.000 0.435 170 D N 1.218 121.623 120.400 0.008 0.000 2.398 170 D HA 0.351 4.990 4.640 -0.001 0.000 0.247 170 D C -0.756 175.567 176.300 0.038 0.000 1.227 170 D CA 0.293 54.307 54.000 0.023 0.000 0.980 170 D CB 1.224 42.039 40.800 0.024 0.000 1.106 170 D HN 0.376 nan 8.370 nan 0.000 0.493 171 T N 0.987 115.574 114.554 0.055 0.000 2.841 171 T HA 0.350 4.699 4.350 -0.001 0.000 0.285 171 T C -0.710 174.046 174.700 0.093 0.000 0.991 171 T CA -0.600 61.542 62.100 0.071 0.000 0.966 171 T CB 1.012 69.924 68.868 0.073 0.000 0.962 171 T HN 0.093 nan 8.240 nan 0.000 0.438 172 L N 5.527 126.802 121.223 0.087 0.000 2.268 172 L HA 0.504 4.843 4.340 -0.001 0.000 0.289 172 L C -0.572 176.371 176.870 0.121 0.000 1.064 172 L CA -0.279 54.619 54.840 0.096 0.000 0.824 172 L CB 0.297 42.402 42.059 0.076 0.000 1.202 172 L HN 0.434 nan 8.230 nan 0.000 0.433 173 V N 5.678 125.690 119.914 0.165 0.000 2.432 173 V HA 0.544 4.663 4.120 -0.001 0.000 0.271 173 V C 0.700 176.889 176.094 0.158 0.000 1.046 173 V CA -0.261 62.135 62.300 0.160 0.000 0.945 173 V CB 0.776 32.711 31.823 0.187 0.000 0.992 173 V HN 0.923 nan 8.190 nan 0.000 0.471 174 A N 4.538 127.435 122.820 0.129 0.000 2.252 174 A HA 0.585 4.904 4.320 -0.001 0.000 0.309 174 A C 0.175 177.830 177.584 0.118 0.000 1.285 174 A CA -0.452 51.663 52.037 0.131 0.000 0.900 174 A CB 0.641 19.712 19.000 0.118 0.000 1.157 174 A HN 0.843 nan 8.150 nan 0.000 0.536 181 P HA 0.207 nan 4.420 nan 0.000 0.264 181 P C -1.205 176.109 177.300 0.024 0.000 1.183 181 P CA 0.474 63.601 63.100 0.045 0.000 0.763 181 P CB 0.769 32.531 31.700 0.102 0.000 0.807 182 E N 3.487 123.680 120.200 -0.012 0.000 2.255 182 E HA 0.349 4.699 4.350 -0.001 0.000 0.256 182 E C -2.224 174.342 176.600 -0.058 0.000 0.887 182 E CA -2.132 54.234 56.400 -0.056 0.000 0.782 182 E CB 0.425 30.063 29.700 -0.104 0.000 1.214 182 E HN 0.335 nan 8.360 nan 0.000 0.417 183 P HA 0.137 nan 4.420 nan 0.000 0.270 183 P C -0.696 176.636 177.300 0.054 0.000 1.227 183 P CA -0.240 62.842 63.100 -0.030 0.000 0.788 183 P CB 0.747 32.431 31.700 -0.027 0.000 0.926 184 E N 0.741 120.975 120.200 0.056 0.000 2.175 184 E HA 0.266 4.615 4.350 -0.001 0.000 0.278 184 E C -0.237 176.440 176.600 0.128 0.000 0.969 184 E CA -0.609 55.839 56.400 0.081 0.000 0.796 184 E CB 0.509 30.206 29.700 -0.004 0.000 1.104 184 E HN 0.598 nan 8.360 nan 0.000 0.395 185 H N 1.148 120.207 119.070 -0.018 0.000 2.977 185 H HA 0.600 5.155 4.556 -0.001 0.000 0.350 185 H C -1.066 174.270 175.328 0.015 0.000 1.238 185 H CA -0.950 55.093 56.048 -0.007 0.000 1.124 185 H CB 0.626 30.384 29.762 -0.006 0.000 1.866 185 H HN 0.276 nan 8.280 nan 0.000 0.550 186 V N -0.353 119.561 119.914 0.000 0.000 2.715 186 V HA 0.487 4.606 4.120 -0.001 0.000 0.310 186 V C -0.273 175.902 176.094 0.135 0.000 1.054 186 V CA -1.047 61.255 62.300 0.002 0.000 0.928 186 V CB 1.890 33.738 31.823 0.040 0.000 1.007 186 V HN 0.589 nan 8.190 nan 0.000 0.437 187 I N 4.104 124.761 120.570 0.144 0.000 2.312 187 I HA 0.363 4.532 4.170 -0.001 0.000 0.291 187 I C -0.074 176.198 176.117 0.259 0.000 1.031 187 I CA -0.210 61.223 61.300 0.221 0.000 1.293 187 I CB 1.411 39.518 38.000 0.178 0.000 1.403 187 I HN 0.487 nan 8.210 nan 0.000 0.484 188 V N 6.446 126.532 119.914 0.287 0.000 2.394 188 V HA 0.557 4.676 4.120 -0.001 0.000 0.282 188 V C 0.524 176.819 176.094 0.334 0.000 1.031 188 V CA -0.651 61.804 62.300 0.258 0.000 0.881 188 V CB 1.464 33.387 31.823 0.167 0.000 0.982 188 V HN 0.847 nan 8.190 nan 0.000 0.451 189 A N 4.293 127.263 122.820 0.250 0.000 2.288 189 A HA 0.729 5.049 4.320 -0.001 0.000 0.320 189 A C -0.542 177.090 177.584 0.081 0.000 1.217 189 A CA -0.387 51.724 52.037 0.123 0.000 0.840 189 A CB 1.112 20.161 19.000 0.081 0.000 1.179 189 A HN 0.918 nan 8.150 nan 0.000 0.504 190 C N 1.892 121.240 119.300 0.079 0.000 2.701 190 C HA 0.495 4.954 4.460 -0.001 0.000 0.336 190 C C 0.589 175.609 174.990 0.050 0.000 1.123 190 C CA 0.237 59.294 59.018 0.065 0.000 1.326 190 C CB -0.284 27.492 27.740 0.060 0.000 1.833 190 C HN 1.488 nan 8.230 nan 0.000 0.473 191 C N 5.390 124.699 119.300 0.014 0.000 4.165 191 C HA -0.140 4.319 4.460 -0.001 0.000 0.299 191 C C 0.918 175.894 174.990 -0.022 0.000 1.445 191 C CA 1.266 60.287 59.018 0.006 0.000 2.029 191 C CB -2.867 24.894 27.740 0.036 0.000 1.288 191 C HN 1.092 nan 8.230 nan 0.000 0.752 192 N N -2.190 116.457 118.700 -0.088 0.000 2.828 192 N HA -0.159 4.580 4.740 -0.001 0.000 0.248 192 N C -0.198 175.090 175.510 -0.370 0.000 1.044 192 N CA 1.710 54.648 53.050 -0.186 0.000 0.851 192 N CB -0.407 38.075 38.487 -0.009 0.000 1.136 192 N HN 0.813 nan 8.380 nan 0.000 0.572 193 Q N -0.169 119.460 119.800 -0.284 0.000 2.256 193 Q HA 0.482 4.822 4.340 -0.001 0.000 0.257 193 Q C -0.161 175.596 176.000 -0.406 0.000 0.936 193 Q CA -0.153 55.491 55.803 -0.264 0.000 0.903 193 Q CB 0.635 29.351 28.738 -0.037 0.000 1.263 193 Q HN 0.159 nan 8.270 nan 0.000 0.440 194 F N 2.261 122.202 119.950 -0.015 0.000 2.427 194 F HA 0.471 4.997 4.527 -0.002 0.000 0.346 194 F C -0.249 175.404 175.800 -0.245 0.000 1.120 194 F CA -0.605 57.412 58.000 0.028 0.000 1.033 194 F CB 0.800 39.881 39.000 0.135 0.000 1.126 194 F HN 0.330 nan 8.300 nan 0.000 0.462 195 F N 1.668 121.740 119.950 0.204 0.000 2.546 195 F HA 0.603 5.129 4.527 -0.002 0.000 0.320 195 F C -0.394 175.467 175.800 0.102 0.000 1.076 195 F CA -1.385 56.680 58.000 0.107 0.000 0.928 195 F CB 1.611 40.647 39.000 0.060 0.000 1.189 195 F HN -0.019 nan 8.300 nan 0.000 0.465 196 V N 4.100 124.145 119.914 0.219 0.000 2.385 196 V HA 0.270 4.390 4.120 -0.001 0.000 0.269 196 V C -0.609 175.572 176.094 0.144 0.000 1.043 196 V CA -0.448 61.939 62.300 0.145 0.000 0.906 196 V CB 1.149 32.946 31.823 -0.043 0.000 0.995 196 V HN 0.504 nan 8.190 nan 0.000 0.467 197 L N 5.436 126.764 121.223 0.175 0.000 2.324 197 L HA 0.572 4.911 4.340 -0.001 0.000 0.274 197 L C -0.205 176.740 176.870 0.125 0.000 1.012 197 L CA -0.132 54.777 54.840 0.115 0.000 0.859 197 L CB 0.956 43.070 42.059 0.090 0.000 1.224 197 L HN 0.517 nan 8.230 nan 0.000 0.429 198 D N 3.680 124.129 120.400 0.082 0.000 2.425 198 D HA 0.102 4.741 4.640 -0.001 0.000 0.247 198 D C 1.120 177.446 176.300 0.044 0.000 1.147 198 D CA 0.387 54.433 54.000 0.077 0.000 0.879 198 D CB 1.912 42.724 40.800 0.020 0.000 1.179 198 D HN 0.486 nan 8.370 nan 0.000 0.456 199 V N 0.171 120.107 119.914 0.037 0.000 3.635 199 V HA 0.206 4.325 4.120 -0.001 0.000 0.266 199 V C 0.403 176.494 176.094 -0.005 0.000 1.316 199 V CA 0.056 62.358 62.300 0.004 0.000 1.060 199 V CB 0.521 32.333 31.823 -0.019 0.000 0.820 199 V HN 0.221 nan 8.190 nan 0.000 0.447 200 V N 1.616 121.526 119.914 -0.006 0.000 2.509 200 V HA 0.460 4.579 4.120 -0.001 0.000 0.289 200 V C 0.616 176.681 176.094 -0.048 0.000 1.026 200 V CA -0.532 61.757 62.300 -0.018 0.000 0.872 200 V CB 1.444 33.258 31.823 -0.014 0.000 1.017 200 V HN 0.237 nan 8.190 nan 0.000 0.436 201 I N 2.312 122.854 120.570 -0.047 0.000 2.623 201 I HA 0.070 4.239 4.170 -0.001 0.000 0.214 201 I C 0.824 176.858 176.117 -0.137 0.000 1.055 201 I CA 0.690 61.948 61.300 -0.070 0.000 1.386 201 I CB 0.121 38.095 38.000 -0.043 0.000 1.217 201 I HN 0.547 nan 8.210 nan 0.000 0.405 202 N N 1.122 119.755 118.700 -0.113 0.000 3.091 202 N HA 0.253 4.992 4.740 -0.001 0.000 0.255 202 N C -0.432 175.037 175.510 -0.068 0.000 1.204 202 N CA -0.181 52.759 53.050 -0.184 0.000 0.990 202 N CB 0.508 38.952 38.487 -0.072 0.000 1.260 202 N HN 0.367 nan 8.380 nan 0.000 0.502 203 F N -1.046 118.898 119.950 -0.009 0.000 2.890 203 F HA -0.334 4.192 4.527 -0.001 0.000 0.346 203 F C 0.812 176.602 175.800 -0.015 0.000 0.660 203 F CA 0.621 58.612 58.000 -0.014 0.000 1.091 203 F CB -0.649 38.344 39.000 -0.013 0.000 1.535 203 F HN 0.251 nan 8.300 nan 0.000 0.314 204 R N 1.501 122.063 120.500 0.103 0.000 2.248 204 R HA 0.284 4.623 4.340 -0.001 0.000 0.328 204 R C 0.470 176.793 176.300 0.039 0.000 1.067 204 R CA -0.443 55.695 56.100 0.062 0.000 0.924 204 R CB 0.871 31.190 30.300 0.031 0.000 1.013 204 R HN 0.162 nan 8.270 nan 0.000 0.454 205 R N 5.330 125.853 120.500 0.038 0.000 2.204 205 R HA 0.173 4.513 4.340 -0.001 0.000 0.341 205 R C -0.111 176.194 176.300 0.009 0.000 1.035 205 R CA -0.485 55.626 56.100 0.018 0.000 0.887 205 R CB 0.397 30.706 30.300 0.015 0.000 1.114 205 R HN 0.557 nan 8.270 nan 0.000 0.473 206 L N 3.294 124.520 121.223 0.004 0.000 2.613 206 L HA -0.131 4.208 4.340 -0.001 0.000 0.304 206 L C 0.762 177.636 176.870 0.007 0.000 1.266 206 L CA 0.614 55.457 54.840 0.005 0.000 0.868 206 L CB 0.300 42.360 42.059 0.002 0.000 1.111 206 L HN 0.826 nan 8.230 nan 0.000 0.515 207 S N 1.216 116.923 115.700 0.012 0.000 2.603 207 S HA 0.044 4.513 4.470 -0.001 0.000 0.268 207 S C 0.793 175.405 174.600 0.020 0.000 1.317 207 S CA -0.472 57.736 58.200 0.014 0.000 1.012 207 S CB 1.366 64.575 63.200 0.015 0.000 0.926 207 S HN 0.748 nan 8.310 nan 0.000 0.539 208 E N 1.395 121.605 120.200 0.017 0.000 2.338 208 E HA -0.039 4.310 4.350 -0.001 0.000 0.197 208 E C 1.682 178.309 176.600 0.044 0.000 1.007 208 E CA 0.953 57.365 56.400 0.020 0.000 0.849 208 E CB -0.826 28.876 29.700 0.003 0.000 0.774 208 E HN 0.906 nan 8.360 nan 0.000 0.506 209 G N 0.358 109.182 108.800 0.040 0.000 2.426 209 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.214 209 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.214 209 G C 1.244 176.215 174.900 0.118 0.000 1.156 209 G CA 0.547 45.688 45.100 0.069 0.000 0.802 209 G HN 0.199 nan 8.290 nan 0.000 0.534 210 D N 0.535 120.976 120.400 0.068 0.000 2.194 210 D HA 0.009 4.648 4.640 -0.001 0.000 0.204 210 D C 2.599 178.925 176.300 0.043 0.000 0.964 210 D CA 0.261 54.291 54.000 0.050 0.000 0.846 210 D CB 0.144 40.958 40.800 0.024 0.000 0.962 210 D HN 0.263 nan 8.370 nan 0.000 0.490 211 L N 0.036 121.291 121.223 0.053 0.000 2.093 211 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 211 L C 2.374 179.276 176.870 0.054 0.000 1.085 211 L CA 0.656 55.518 54.840 0.037 0.000 0.755 211 L CB -0.388 41.690 42.059 0.031 0.000 0.904 211 L HN -0.033 nan 8.230 nan 0.000 0.435 212 F N 0.978 120.904 119.950 -0.040 0.000 2.075 212 F HA -0.251 4.275 4.527 -0.002 0.000 0.297 212 F C 2.477 178.249 175.800 -0.047 0.000 1.113 212 F CA 2.159 60.132 58.000 -0.045 0.000 1.218 212 F CB -0.652 38.323 39.000 -0.041 0.000 0.984 212 F HN -0.072 nan 8.300 nan 0.000 0.472 213 T N 0.720 115.212 114.554 -0.104 0.000 2.720 213 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 213 T C 1.866 176.439 174.700 -0.211 0.000 1.037 213 T CA 1.625 63.607 62.100 -0.197 0.000 1.144 213 T CB -0.267 68.582 68.868 -0.031 0.000 0.864 213 T HN 0.310 nan 8.240 nan 0.000 0.444 214 Q N 0.634 120.354 119.800 -0.134 0.000 2.119 214 Q HA 0.088 4.427 4.340 -0.001 0.000 0.201 214 Q C 2.519 178.410 176.000 -0.182 0.000 0.972 214 Q CA 0.962 56.690 55.803 -0.124 0.000 0.847 214 Q CB -0.604 28.094 28.738 -0.067 0.000 0.903 214 Q HN 0.504 nan 8.270 nan 0.000 0.433 215 L N 0.061 121.164 121.223 -0.201 0.000 2.083 215 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 215 L C 2.630 179.325 176.870 -0.292 0.000 1.083 215 L CA 1.036 55.745 54.840 -0.219 0.000 0.752 215 L CB -0.338 41.623 42.059 -0.164 0.000 0.899 215 L HN 0.164 nan 8.230 nan 0.000 0.433 216 R N 0.176 120.440 120.500 -0.392 0.000 2.096 216 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 216 R C 2.344 178.488 176.300 -0.260 0.000 1.127 216 R CA 1.362 57.241 56.100 -0.370 0.000 0.968 216 R CB -0.106 29.913 30.300 -0.468 0.000 0.861 216 R HN 0.359 nan 8.270 nan 0.000 0.440 217 K N 0.345 120.601 120.400 -0.241 0.000 2.026 217 K HA -0.107 4.212 4.320 -0.001 0.000 0.208 217 K C 2.105 178.545 176.600 -0.267 0.000 1.048 217 K CA 1.322 57.491 56.287 -0.198 0.000 0.929 217 K CB -0.179 32.227 32.500 -0.157 0.000 0.713 217 K HN 0.141 nan 8.250 nan 0.000 0.439 218 I N 0.968 121.313 120.570 -0.375 0.000 2.151 218 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 218 I C 2.282 178.068 176.117 -0.551 0.000 1.080 218 I CA 1.237 62.122 61.300 -0.692 0.000 1.339 218 I CB -0.387 37.211 38.000 -0.671 0.000 1.039 218 I HN -0.038 nan 8.210 nan 0.000 0.409 219 V N 1.008 120.728 119.914 -0.323 0.000 2.332 219 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 219 V C 2.524 178.533 176.094 -0.143 0.000 1.055 219 V CA 2.135 64.317 62.300 -0.197 0.000 1.038 219 V CB -0.709 31.024 31.823 -0.151 0.000 0.651 219 V HN 0.384 nan 8.190 nan 0.000 0.450 220 K N 0.361 120.673 120.400 -0.146 0.000 2.009 220 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 220 K C 2.057 178.628 176.600 -0.049 0.000 1.049 220 K CA 2.013 58.248 56.287 -0.087 0.000 0.929 220 K CB -0.477 31.970 32.500 -0.088 0.000 0.714 220 K HN 0.384 nan 8.250 nan 0.000 0.440 221 M N -0.183 119.377 119.600 -0.067 0.000 2.159 221 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 221 M C 1.998 178.395 176.300 0.161 0.000 1.063 221 M CA 1.603 56.937 55.300 0.057 0.000 1.110 221 M CB -0.315 32.362 32.600 0.128 0.000 1.374 221 M HN 0.277 nan 8.290 nan 0.000 0.411 222 A N -0.760 122.132 122.820 0.120 0.000 2.248 222 A HA -0.033 4.286 4.320 -0.001 0.000 0.210 222 A C 1.850 179.498 177.584 0.107 0.000 1.174 222 A CA 1.246 53.416 52.037 0.222 0.000 0.750 222 A CB -0.461 18.625 19.000 0.144 0.000 0.780 222 A HN 0.431 nan 8.150 nan 0.000 0.478 223 S N -0.092 115.645 115.700 0.062 0.000 2.559 223 S HA 0.086 4.555 4.470 -0.001 0.000 0.226 223 S C 0.520 175.146 174.600 0.043 0.000 1.000 223 S CA -0.568 57.654 58.200 0.038 0.000 0.948 223 S CB -0.095 63.112 63.200 0.011 0.000 0.870 223 S HN 0.615 nan 8.310 nan 0.000 0.497 224 N N 2.318 121.055 118.700 0.061 0.000 2.402 224 N HA 0.289 5.028 4.740 -0.001 0.000 0.252 224 N C 0.960 176.503 175.510 0.054 0.000 1.118 224 N CA 0.097 53.179 53.050 0.054 0.000 0.945 224 N CB 1.224 39.748 38.487 0.062 0.000 1.147 224 N HN 0.199 nan 8.380 nan 0.000 0.495 225 A N 4.469 127.314 122.820 0.042 0.000 1.883 225 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 225 A C 2.020 179.629 177.584 0.042 0.000 1.186 225 A CA 1.953 54.014 52.037 0.040 0.000 0.624 225 A CB -0.851 18.168 19.000 0.032 0.000 0.822 225 A HN 0.735 nan 8.150 nan 0.000 0.444 226 A N -1.005 121.838 122.820 0.038 0.000 2.125 226 A HA 0.261 4.580 4.320 -0.001 0.000 0.219 226 A C 2.080 179.690 177.584 0.042 0.000 1.156 226 A CA 1.856 53.915 52.037 0.037 0.000 0.671 226 A CB -0.535 18.483 19.000 0.031 0.000 0.794 226 A HN 1.118 nan 8.150 nan 0.000 0.459 227 A N -1.193 121.657 122.820 0.050 0.000 2.288 227 A HA 0.280 4.599 4.320 -0.001 0.000 0.216 227 A C 1.210 178.831 177.584 0.062 0.000 1.199 227 A CA -0.158 51.911 52.037 0.054 0.000 0.891 227 A CB -0.161 18.875 19.000 0.061 0.000 0.923 227 A HN 0.413 nan 8.150 nan 0.000 0.500 228 R N 0.922 121.462 120.500 0.066 0.000 2.504 228 R HA 0.236 4.575 4.340 -0.001 0.000 0.291 228 R C -0.935 175.415 176.300 0.084 0.000 0.974 228 R CA 0.346 56.489 56.100 0.073 0.000 1.077 228 R CB -0.010 30.330 30.300 0.067 0.000 0.926 228 R HN 0.393 nan 8.270 nan 0.000 0.407 229 L N 6.206 127.492 121.223 0.105 0.000 2.331 229 L HA 0.526 4.865 4.340 -0.001 0.000 0.268 229 L C -1.962 174.987 176.870 0.131 0.000 1.015 229 L CA -2.670 52.260 54.840 0.150 0.000 0.807 229 L CB 1.657 43.871 42.059 0.259 0.000 1.293 229 L HN 0.549 nan 8.230 nan 0.000 0.451 230 P HA 0.064 nan 4.420 nan 0.000 0.269 230 P C -2.374 174.944 177.300 0.030 0.000 1.209 230 P CA -0.905 62.230 63.100 0.058 0.000 0.776 230 P CB -0.022 31.696 31.700 0.030 0.000 0.876 231 P HA 0.025 nan 4.420 nan 0.000 0.231 231 P C 0.787 178.077 177.300 -0.017 0.000 1.756 231 P CA 0.102 63.237 63.100 0.059 0.000 0.990 231 P CB -0.357 31.437 31.700 0.157 0.000 1.973 232 I N 1.019 121.533 120.570 -0.094 0.000 2.315 232 I HA -0.194 3.975 4.170 -0.001 0.000 0.251 232 I C 2.538 178.530 176.117 -0.208 0.000 1.125 232 I CA 1.667 62.800 61.300 -0.277 0.000 1.392 232 I CB -1.999 35.506 38.000 -0.825 0.000 1.065 232 I HN 0.196 nan 8.210 nan 0.000 0.424 233 G N 1.173 110.098 108.800 0.209 0.000 2.469 233 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.220 233 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.220 233 G C 1.769 176.527 174.900 -0.237 0.000 1.136 233 G CA 0.780 45.961 45.100 0.136 0.000 0.759 233 G HN 0.359 nan 8.290 nan 0.000 0.562 234 L N 0.446 121.585 121.223 -0.139 0.000 2.089 234 L HA -0.076 4.263 4.340 -0.001 0.000 0.213 234 L C 2.712 179.366 176.870 -0.359 0.000 1.079 234 L CA 1.415 56.146 54.840 -0.182 0.000 0.758 234 L CB -0.295 41.653 42.059 -0.186 0.000 0.891 234 L HN 0.261 nan 8.230 nan 0.000 0.433 235 L N -1.010 119.892 121.223 -0.534 0.000 2.127 235 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 235 L C 2.352 178.522 176.870 -1.166 0.000 1.089 235 L CA 1.690 56.111 54.840 -0.699 0.000 0.757 235 L CB -1.130 40.505 42.059 -0.707 0.000 0.899 235 L HN 0.536 nan 8.230 nan 0.000 0.434 236 T N -4.250 109.430 114.554 -1.457 0.000 3.118 236 T HA -0.065 4.284 4.350 -0.001 0.000 0.260 236 T C 1.718 176.025 174.700 -0.655 0.000 1.139 236 T CA 0.788 61.993 62.100 -1.492 0.000 1.085 236 T CB -0.203 67.825 68.868 -1.401 0.000 0.934 236 T HN 0.387 nan 8.240 nan 0.000 0.518 237 S N -0.441 114.987 115.700 -0.453 0.000 2.575 237 S HA 0.148 4.617 4.470 -0.001 0.000 0.215 237 S C 0.457 174.863 174.600 -0.323 0.000 0.966 237 S CA -0.582 57.377 58.200 -0.401 0.000 0.911 237 S CB -0.188 62.868 63.200 -0.240 0.000 0.780 237 S HN 0.466 nan 8.310 nan 0.000 0.514 238 D N 1.524 121.761 120.400 -0.272 0.000 2.478 238 D HA 0.479 5.118 4.640 -0.001 0.000 0.269 238 D C 0.756 177.001 176.300 -0.091 0.000 1.232 238 D CA 0.063 53.973 54.000 -0.149 0.000 1.059 238 D CB 1.185 41.933 40.800 -0.087 0.000 1.104 238 D HN 0.303 nan 8.370 nan 0.000 0.566 239 G N 0.316 109.089 108.800 -0.046 0.000 2.630 239 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.236 239 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.236 239 G C 1.017 175.936 174.900 0.032 0.000 1.248 239 G CA -0.274 44.810 45.100 -0.027 0.000 0.844 239 G HN 0.363 nan 8.290 nan 0.000 0.588 240 R N 0.987 121.500 120.500 0.021 0.000 2.081 240 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 240 R C 2.857 179.188 176.300 0.053 0.000 1.131 240 R CA 1.366 57.504 56.100 0.062 0.000 0.960 240 R CB -1.181 29.129 30.300 0.017 0.000 0.856 240 R HN 0.471 nan 8.270 nan 0.000 0.436 241 S N 1.287 116.990 115.700 0.005 0.000 2.383 241 S HA -0.099 4.370 4.470 -0.001 0.000 0.227 241 S C 1.713 176.360 174.600 0.079 0.000 1.026 241 S CA 1.179 59.385 58.200 0.010 0.000 0.981 241 S CB -0.024 63.130 63.200 -0.077 0.000 0.818 241 S HN 0.294 nan 8.310 nan 0.000 0.472 242 E N 0.800 121.049 120.200 0.082 0.000 2.051 242 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 242 E C 1.539 178.237 176.600 0.163 0.000 0.991 242 E CA 0.917 57.385 56.400 0.113 0.000 0.799 242 E CB -0.361 29.393 29.700 0.091 0.000 0.748 242 E HN 0.704 nan 8.360 nan 0.000 0.449 243 W N 1.071 122.329 121.300 -0.070 0.000 2.358 243 W HA -0.217 4.442 4.660 -0.002 0.000 0.303 243 W C 2.027 178.498 176.519 -0.080 0.000 1.208 243 W CA 1.103 58.385 57.345 -0.105 0.000 1.274 243 W CB -0.032 29.356 29.460 -0.121 0.000 1.138 243 W HN 0.151 nan 8.180 nan 0.000 0.515 244 A N 0.572 123.301 122.820 -0.151 0.000 1.940 244 A HA -0.309 4.010 4.320 -0.001 0.000 0.219 244 A C 1.889 179.334 177.584 -0.231 0.000 1.176 244 A CA 2.116 53.977 52.037 -0.294 0.000 0.631 244 A CB -1.030 17.910 19.000 -0.099 0.000 0.814 244 A HN 0.580 nan 8.150 nan 0.000 0.446 245 E N -0.419 119.719 120.200 -0.104 0.000 2.046 245 E HA -0.019 4.330 4.350 -0.001 0.000 0.190 245 E C 2.153 178.620 176.600 -0.222 0.000 0.982 245 E CA 0.810 57.151 56.400 -0.098 0.000 0.800 245 E CB -0.236 29.471 29.700 0.010 0.000 0.756 245 E HN 0.515 nan 8.360 nan 0.000 0.449 246 A N 1.489 124.131 122.820 -0.297 0.000 1.933 246 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 246 A C 2.179 179.629 177.584 -0.223 0.000 1.175 246 A CA 1.502 53.242 52.037 -0.495 0.000 0.628 246 A CB -0.530 18.307 19.000 -0.272 0.000 0.814 246 A HN 0.220 nan 8.150 nan 0.000 0.444 247 R N -0.709 119.569 120.500 -0.370 0.000 2.092 247 R HA -0.103 4.236 4.340 -0.001 0.000 0.231 247 R C 1.967 178.122 176.300 -0.241 0.000 1.119 247 R CA 1.899 57.697 56.100 -0.504 0.000 0.970 247 R CB -0.538 29.073 30.300 -1.148 0.000 0.864 247 R HN 0.452 nan 8.270 nan 0.000 0.440 248 T N 0.274 114.695 114.554 -0.221 0.000 2.788 248 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 248 T C 1.760 176.418 174.700 -0.070 0.000 1.044 248 T CA 1.378 63.403 62.100 -0.126 0.000 1.139 248 T CB -0.066 68.735 68.868 -0.110 0.000 0.867 248 T HN 0.043 nan 8.240 nan 0.000 0.454 249 V N 1.405 121.274 119.914 -0.075 0.000 2.358 249 V HA -0.089 4.030 4.120 -0.001 0.000 0.246 249 V C 2.476 178.586 176.094 0.025 0.000 1.047 249 V CA 1.361 63.653 62.300 -0.014 0.000 1.035 249 V CB -0.655 31.163 31.823 -0.008 0.000 0.658 249 V HN 0.438 nan 8.190 nan 0.000 0.452 250 L N -0.252 120.992 121.223 0.036 0.000 2.046 250 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 250 L C 2.455 179.390 176.870 0.107 0.000 1.077 250 L CA 1.188 56.097 54.840 0.116 0.000 0.747 250 L CB -0.692 41.481 42.059 0.190 0.000 0.896 250 L HN 0.200 nan 8.230 nan 0.000 0.432 251 V N -0.007 119.940 119.914 0.055 0.000 2.660 251 V HA -0.298 3.821 4.120 -0.001 0.000 0.257 251 V C 2.376 178.489 176.094 0.032 0.000 1.088 251 V CA 1.566 63.889 62.300 0.038 0.000 1.106 251 V CB -0.719 31.102 31.823 -0.004 0.000 0.686 251 V HN 0.445 nan 8.190 nan 0.000 0.481 252 K N -0.081 120.339 120.400 0.033 0.000 2.147 252 K HA -0.118 4.201 4.320 -0.001 0.000 0.205 252 K C 1.063 177.684 176.600 0.035 0.000 1.049 252 K CA 0.850 57.154 56.287 0.028 0.000 0.936 252 K CB -0.053 32.465 32.500 0.030 0.000 0.722 252 K HN 0.509 nan 8.250 nan 0.000 0.446 253 D N -0.183 120.250 120.400 0.054 0.000 2.198 253 D HA 0.020 4.660 4.640 -0.001 0.000 0.245 253 D C 0.482 176.806 176.300 0.040 0.000 1.079 253 D CA 0.043 54.075 54.000 0.053 0.000 0.854 253 D CB 1.969 42.816 40.800 0.078 0.000 1.148 253 D HN -0.138 nan 8.370 nan 0.000 0.456 254 S N 2.368 118.079 115.700 0.018 0.000 2.368 254 S HA -0.153 4.316 4.470 -0.001 0.000 0.225 254 S C 1.696 176.285 174.600 -0.018 0.000 1.030 254 S CA 1.833 60.032 58.200 -0.002 0.000 0.999 254 S CB 0.008 63.203 63.200 -0.010 0.000 0.844 254 S HN 0.667 nan 8.310 nan 0.000 0.459 255 T N 2.648 117.192 114.554 -0.017 0.000 2.788 255 T HA -0.040 4.310 4.350 -0.001 0.000 0.268 255 T C 1.690 176.335 174.700 -0.092 0.000 1.044 255 T CA 1.341 63.406 62.100 -0.059 0.000 1.139 255 T CB -0.405 68.438 68.868 -0.042 0.000 0.867 255 T HN 0.444 nan 8.240 nan 0.000 0.454 256 N N 0.979 119.692 118.700 0.022 0.000 2.270 256 N HA 0.039 4.778 4.740 -0.001 0.000 0.181 256 N C 2.025 177.578 175.510 0.071 0.000 1.016 256 N CA 0.586 53.710 53.050 0.124 0.000 0.870 256 N CB -0.184 38.514 38.487 0.352 0.000 0.979 256 N HN 0.368 nan 8.380 nan 0.000 0.431 257 R N 0.849 121.371 120.500 0.038 0.000 2.091 257 R HA -0.105 4.234 4.340 -0.001 0.000 0.238 257 R C 1.138 177.409 176.300 -0.048 0.000 1.136 257 R CA 1.303 57.411 56.100 0.012 0.000 0.959 257 R CB -0.162 30.139 30.300 0.001 0.000 0.856 257 R HN 0.218 nan 8.270 nan 0.000 0.437 258 D N -0.136 120.206 120.400 -0.097 0.000 2.084 258 D HA -0.077 4.562 4.640 -0.001 0.000 0.196 258 D C 1.998 178.171 176.300 -0.212 0.000 0.985 258 D CA 1.303 55.218 54.000 -0.141 0.000 0.826 258 D CB -0.277 40.433 40.800 -0.150 0.000 0.978 258 D HN -0.015 nan 8.370 nan 0.000 0.456 259 S N 0.163 115.657 115.700 -0.344 0.000 2.359 259 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 259 S C 2.151 176.547 174.600 -0.341 0.000 1.035 259 S CA 0.589 58.469 58.200 -0.532 0.000 1.018 259 S CB -0.325 62.126 63.200 -1.250 0.000 0.876 259 S HN 0.219 nan 8.310 nan 0.000 0.448 260 L N 1.200 122.344 121.223 -0.131 0.000 1.989 260 L HA -0.218 4.122 4.340 -0.001 0.000 0.211 260 L C 2.484 179.268 176.870 -0.143 0.000 1.071 260 L CA 1.874 56.717 54.840 0.004 0.000 0.749 260 L CB -0.776 41.389 42.059 0.177 0.000 0.890 260 L HN 0.311 nan 8.230 nan 0.000 0.431 261 D N -0.359 119.967 120.400 -0.124 0.000 2.116 261 D HA -0.257 4.382 4.640 -0.001 0.000 0.193 261 D C 2.254 178.480 176.300 -0.123 0.000 0.998 261 D CA 1.557 55.479 54.000 -0.130 0.000 0.836 261 D CB 0.096 40.839 40.800 -0.095 0.000 0.951 261 D HN 0.050 nan 8.370 nan 0.000 0.449 262 M N -0.013 119.510 119.600 -0.128 0.000 2.080 262 M HA -0.114 4.365 4.480 -0.001 0.000 0.260 262 M C 2.455 178.759 176.300 0.007 0.000 1.068 262 M CA 1.118 56.386 55.300 -0.053 0.000 1.109 262 M CB -0.950 31.566 32.600 -0.140 0.000 1.342 262 M HN 0.267 nan 8.290 nan 0.000 0.405 263 I N -0.284 120.176 120.570 -0.183 0.000 2.226 263 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 263 I C 2.135 178.144 176.117 -0.181 0.000 1.100 263 I CA 1.248 62.378 61.300 -0.283 0.000 1.374 263 I CB -0.465 37.091 38.000 -0.740 0.000 1.057 263 I HN 0.364 nan 8.210 nan 0.000 0.413 264 E N 0.546 120.564 120.200 -0.304 0.000 2.204 264 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 264 E C 1.831 178.360 176.600 -0.119 0.000 0.990 264 E CA 0.863 56.993 56.400 -0.449 0.000 0.821 264 E CB 0.042 29.385 29.700 -0.595 0.000 0.750 264 E HN 0.443 nan 8.360 nan 0.000 0.477 265 R N 0.145 120.618 120.500 -0.045 0.000 2.397 265 R HA 0.135 4.474 4.340 -0.001 0.000 0.241 265 R C 0.776 177.049 176.300 -0.045 0.000 0.914 265 R CA -0.181 55.929 56.100 0.016 0.000 1.071 265 R CB 0.091 30.427 30.300 0.060 0.000 1.116 265 R HN 0.206 nan 8.270 nan 0.000 0.524 266 C N -1.196 118.029 119.300 -0.125 0.000 2.705 266 C HA 0.267 4.726 4.460 -0.001 0.000 0.365 266 C C 1.976 176.882 174.990 -0.140 0.000 1.353 266 C CA -0.817 57.964 59.018 -0.395 0.000 2.339 266 C CB 0.115 27.708 27.740 -0.245 0.000 2.576 266 C HN 0.306 nan 8.230 nan 0.000 0.716 267 I N 0.858 121.339 120.570 -0.147 0.000 2.333 267 I HA 0.090 4.259 4.170 -0.001 0.000 0.246 267 I C 1.266 177.513 176.117 0.215 0.000 1.106 267 I CA 1.784 63.099 61.300 0.025 0.000 1.411 267 I CB -0.278 37.666 38.000 -0.092 0.000 1.082 267 I HN 1.069 nan 8.210 nan 0.000 0.420 268 C N -2.334 117.072 119.300 0.176 0.000 3.253 268 C HA 0.588 5.047 4.460 -0.001 0.000 0.361 268 C C -1.445 173.682 174.990 0.228 0.000 1.498 268 C CA -1.530 57.657 59.018 0.282 0.000 1.163 268 C CB 0.557 28.602 27.740 0.508 0.000 1.687 268 C HN 0.031 nan 8.230 nan 0.000 0.430 269 L N 0.897 122.281 121.223 0.268 0.000 2.342 269 L HA 0.838 5.178 4.340 -0.001 0.000 0.271 269 L C -0.484 176.571 176.870 0.308 0.000 1.008 269 L CA -0.377 54.613 54.840 0.250 0.000 0.818 269 L CB 2.048 44.243 42.059 0.226 0.000 1.296 269 L HN 0.741 nan 8.230 nan 0.000 0.427 270 V N 1.606 121.678 119.914 0.263 0.000 2.380 270 V HA 0.294 4.413 4.120 -0.001 0.000 0.286 270 V C -0.901 175.316 176.094 0.206 0.000 1.015 270 V CA -0.666 61.788 62.300 0.256 0.000 0.834 270 V CB 1.400 33.337 31.823 0.189 0.000 1.009 270 V HN 0.781 nan 8.190 nan 0.000 0.428 271 C N 6.352 125.766 119.300 0.190 0.000 2.239 271 C HA 0.493 4.953 4.460 -0.001 0.000 0.325 271 C C 0.588 175.650 174.990 0.120 0.000 1.231 271 C CA -0.908 58.194 59.018 0.140 0.000 1.652 271 C CB -0.259 27.544 27.740 0.106 0.000 2.284 271 C HN 0.717 nan 8.230 nan 0.000 0.499 272 L N 3.856 125.136 121.223 0.096 0.000 2.375 272 L HA 0.196 4.535 4.340 -0.001 0.000 0.276 272 L C -0.023 176.884 176.870 0.061 0.000 1.162 272 L CA 0.196 55.082 54.840 0.078 0.000 0.991 272 L CB -0.529 41.556 42.059 0.044 0.000 1.315 272 L HN 0.620 nan 8.230 nan 0.000 0.431 273 D N 2.061 122.501 120.400 0.068 0.000 2.372 273 D HA 0.329 4.968 4.640 -0.001 0.000 0.243 273 D C 0.396 176.722 176.300 0.044 0.000 1.121 273 D CA 0.122 54.151 54.000 0.048 0.000 0.898 273 D CB 1.452 42.279 40.800 0.046 0.000 1.202 273 D HN 0.499 nan 8.370 nan 0.000 0.428 274 A N 2.928 125.763 122.820 0.025 0.000 2.346 274 A HA 0.432 4.751 4.320 -0.001 0.000 0.252 274 A C -2.188 175.410 177.584 0.024 0.000 1.089 274 A CA -1.076 50.972 52.037 0.019 0.000 0.797 274 A CB -0.236 18.763 19.000 -0.001 0.000 1.047 274 A HN 0.379 nan 8.150 nan 0.000 0.494 275 P HA 0.155 nan 4.420 nan 0.000 0.263 275 P C 0.449 177.759 177.300 0.016 0.000 1.195 275 P CA 0.759 63.875 63.100 0.026 0.000 0.762 275 P CB 0.417 32.133 31.700 0.026 0.000 0.799 276 G N 2.502 111.313 108.800 0.019 0.000 2.606 276 G HA2 0.313 4.272 3.960 -0.001 0.000 0.252 276 G HA3 0.313 4.272 3.960 -0.001 0.000 0.252 276 G C 1.223 176.127 174.900 0.006 0.000 1.206 276 G CA -0.055 45.052 45.100 0.011 0.000 0.861 276 G HN 0.542 nan 8.290 nan 0.000 0.561 277 G N -0.700 108.095 108.800 -0.009 0.000 2.437 277 G HA2 0.223 4.182 3.960 -0.001 0.000 0.212 277 G HA3 0.223 4.182 3.960 -0.001 0.000 0.212 277 G C 1.009 175.906 174.900 -0.005 0.000 1.174 277 G CA 1.112 46.207 45.100 -0.009 0.000 0.811 277 G HN 1.072 nan 8.290 nan 0.000 0.537 278 V N -1.294 118.597 119.914 -0.037 0.000 3.489 278 V HA 0.425 4.544 4.120 -0.001 0.000 0.297 278 V C 0.121 176.273 176.094 0.096 0.000 1.071 278 V CA -1.289 60.998 62.300 -0.021 0.000 1.074 278 V CB 0.697 32.355 31.823 -0.275 0.000 1.188 278 V HN 0.321 nan 8.190 nan 0.000 0.458 279 E N 0.302 120.638 120.200 0.226 0.000 2.418 279 E HA 0.214 4.564 4.350 -0.001 0.000 0.261 279 E C -0.281 176.474 176.600 0.258 0.000 1.070 279 E CA -0.127 56.402 56.400 0.215 0.000 0.931 279 E CB 0.549 30.355 29.700 0.176 0.000 0.954 279 E HN 0.562 nan 8.360 nan 0.000 0.439 280 L N 2.998 124.304 121.223 0.139 0.000 2.727 280 L HA 0.087 4.426 4.340 -0.001 0.000 0.237 280 L C 0.365 177.293 176.870 0.096 0.000 1.370 280 L CA -0.439 54.472 54.840 0.118 0.000 1.248 280 L CB -0.872 41.225 42.059 0.064 0.000 1.556 280 L HN 0.392 nan 8.230 nan 0.000 0.420 281 S N -2.975 112.773 115.700 0.081 0.000 2.632 281 S HA 0.159 4.628 4.470 -0.001 0.000 0.267 281 S C 0.785 175.441 174.600 0.093 0.000 1.276 281 S CA -0.837 57.373 58.200 0.016 0.000 0.998 281 S CB 1.628 64.747 63.200 -0.135 0.000 0.953 281 S HN 0.257 nan 8.310 nan 0.000 0.547 282 D N 1.601 122.059 120.400 0.096 0.000 2.133 282 D HA -0.090 4.549 4.640 -0.001 0.000 0.195 282 D C 1.914 178.385 176.300 0.285 0.000 0.997 282 D CA 1.898 56.025 54.000 0.212 0.000 0.840 282 D CB -0.905 39.909 40.800 0.024 0.000 0.947 282 D HN 0.705 nan 8.370 nan 0.000 0.452 283 T N -0.349 114.300 114.554 0.159 0.000 2.674 283 T HA -0.148 4.201 4.350 -0.001 0.000 0.265 283 T C 1.714 176.637 174.700 0.371 0.000 1.039 283 T CA 1.274 63.535 62.100 0.269 0.000 1.150 283 T CB -0.498 68.426 68.868 0.093 0.000 0.864 283 T HN 0.428 nan 8.240 nan 0.000 0.427 284 H N 0.512 119.694 119.070 0.186 0.000 2.387 284 H HA 0.056 4.611 4.556 -0.001 0.000 0.299 284 H C 2.678 178.071 175.328 0.109 0.000 1.090 284 H CA 0.724 56.857 56.048 0.141 0.000 1.332 284 H CB 0.111 29.936 29.762 0.106 0.000 1.386 284 H HN 0.185 nan 8.280 nan 0.000 0.516 285 R N 0.359 121.011 120.500 0.253 0.000 2.148 285 R HA -0.044 4.296 4.340 -0.001 0.000 0.227 285 R C 2.386 178.743 176.300 0.095 0.000 1.103 285 R CA 0.766 56.953 56.100 0.146 0.000 0.983 285 R CB 0.011 30.396 30.300 0.140 0.000 0.874 285 R HN 0.257 nan 8.270 nan 0.000 0.451 286 A N 0.992 123.920 122.820 0.181 0.000 1.935 286 A HA -0.001 4.318 4.320 -0.001 0.000 0.214 286 A C 2.106 179.602 177.584 -0.148 0.000 1.178 286 A CA 0.558 52.636 52.037 0.067 0.000 0.640 286 A CB -0.238 18.954 19.000 0.320 0.000 0.825 286 A HN 0.127 nan 8.150 nan 0.000 0.447 287 L N -0.750 120.428 121.223 -0.074 0.000 2.046 287 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 287 L C 2.875 179.524 176.870 -0.367 0.000 1.077 287 L CA 1.867 56.545 54.840 -0.270 0.000 0.747 287 L CB -0.524 41.547 42.059 0.019 0.000 0.896 287 L HN 0.568 nan 8.230 nan 0.000 0.432 288 Q N -0.142 119.587 119.800 -0.118 0.000 2.084 288 Q HA -0.210 4.129 4.340 -0.001 0.000 0.202 288 Q C 2.303 178.244 176.000 -0.098 0.000 0.978 288 Q CA 1.271 57.037 55.803 -0.062 0.000 0.844 288 Q CB 0.132 28.865 28.738 -0.009 0.000 0.898 288 Q HN 0.392 nan 8.270 nan 0.000 0.426 289 L N 0.406 121.549 121.223 -0.134 0.000 2.156 289 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 289 L C 2.194 178.984 176.870 -0.133 0.000 1.095 289 L CA 1.167 55.922 54.840 -0.141 0.000 0.770 289 L CB -0.832 41.116 42.059 -0.185 0.000 0.914 289 L HN 0.383 nan 8.230 nan 0.000 0.439 290 L N -0.699 120.383 121.223 -0.235 0.000 2.023 290 L HA -0.189 4.150 4.340 -0.001 0.000 0.205 290 L C 1.902 178.742 176.870 -0.050 0.000 1.073 290 L CA 1.333 56.048 54.840 -0.208 0.000 0.745 290 L CB -0.312 41.516 42.059 -0.384 0.000 0.900 290 L HN 0.493 nan 8.230 nan 0.000 0.435 291 H N -3.324 115.779 119.070 0.054 0.000 3.230 291 H HA 0.379 4.934 4.556 -0.001 0.000 0.259 291 H C 1.120 176.511 175.328 0.106 0.000 1.195 291 H CA -0.186 55.917 56.048 0.091 0.000 1.112 291 H CB 0.010 29.789 29.762 0.029 0.000 1.638 291 H HN 0.149 nan 8.280 nan 0.000 0.624 292 G N 0.441 109.371 108.800 0.216 0.000 2.189 292 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.267 292 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.267 292 G C 1.458 176.493 174.900 0.226 0.000 0.975 292 G CA 0.986 46.195 45.100 0.182 0.000 0.644 292 G HN 1.625 nan 8.290 nan 0.000 0.537 293 G N -1.490 107.598 108.800 0.479 0.000 2.141 293 G HA2 0.451 4.410 3.960 -0.001 0.000 0.242 293 G HA3 0.451 4.410 3.960 -0.001 0.000 0.242 293 G C 1.484 176.425 174.900 0.067 0.000 0.982 293 G CA 0.595 45.846 45.100 0.253 0.000 0.662 293 G HN 2.964 nan 8.290 nan 0.000 0.527 294 G N -2.065 106.773 108.800 0.064 0.000 2.707 294 G HA2 0.119 4.078 3.960 -0.001 0.000 0.686 294 G HA3 0.119 4.078 3.960 -0.001 0.000 0.686 294 G C 0.197 175.151 174.900 0.090 0.000 1.315 294 G CA 0.398 45.518 45.100 0.033 0.000 0.832 294 G HN 1.546 nan 8.290 nan 0.000 0.573 295 Y N 1.087 121.381 120.300 -0.011 0.000 2.315 295 Y HA -0.095 4.454 4.550 -0.002 0.000 0.288 295 Y C 2.987 178.887 175.900 0.000 0.000 1.154 295 Y CA 2.811 60.909 58.100 -0.004 0.000 1.229 295 Y CB -0.295 38.156 38.460 -0.016 0.000 0.980 295 Y HN 1.088 nan 8.280 nan 0.000 0.540 296 S N -1.422 114.189 115.700 -0.149 0.000 2.607 296 S HA 0.033 4.502 4.470 -0.001 0.000 0.224 296 S C 1.433 175.936 174.600 -0.162 0.000 0.969 296 S CA 0.268 58.340 58.200 -0.213 0.000 0.927 296 S CB 0.018 63.166 63.200 -0.087 0.000 0.772 296 S HN 0.244 nan 8.310 nan 0.000 0.533 297 K N 1.156 121.490 120.400 -0.110 0.000 2.602 297 K HA 0.372 4.691 4.320 -0.001 0.000 0.245 297 K C 0.413 176.990 176.600 -0.038 0.000 1.288 297 K CA 0.230 56.484 56.287 -0.055 0.000 0.782 297 K CB -0.315 32.183 32.500 -0.003 0.000 1.694 297 K HN 0.230 nan 8.250 nan 0.000 0.384 298 N N -0.050 118.657 118.700 0.012 0.000 2.142 298 N HA 0.092 4.831 4.740 -0.001 0.000 0.233 298 N C 1.036 176.593 175.510 0.077 0.000 1.335 298 N CA 0.328 53.396 53.050 0.030 0.000 0.837 298 N CB 1.366 39.874 38.487 0.035 0.000 1.238 298 N HN 0.283 nan 8.380 nan 0.000 0.501 299 G N 0.617 109.480 108.800 0.105 0.000 2.470 299 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.220 299 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.220 299 G C 1.249 176.266 174.900 0.195 0.000 1.121 299 G CA 1.138 46.340 45.100 0.169 0.000 0.766 299 G HN 0.323 nan 8.290 nan 0.000 0.553 300 A N -0.045 122.892 122.820 0.195 0.000 2.252 300 A HA 0.263 4.582 4.320 -0.001 0.000 0.213 300 A C 1.412 179.088 177.584 0.154 0.000 1.188 300 A CA 0.022 52.182 52.037 0.205 0.000 0.863 300 A CB -0.015 19.180 19.000 0.325 0.000 0.893 300 A HN 0.252 nan 8.150 nan 0.000 0.495 301 N N 1.437 120.194 118.700 0.094 0.000 2.878 301 N HA 0.079 4.818 4.740 -0.001 0.000 0.282 301 N C -0.052 175.525 175.510 0.112 0.000 1.284 301 N CA 0.204 53.279 53.050 0.042 0.000 1.053 301 N CB -0.253 38.246 38.487 0.019 0.000 1.382 301 N HN 0.322 nan 8.380 nan 0.000 0.529 302 R N -0.653 119.973 120.500 0.209 0.000 2.810 302 R HA 0.375 4.714 4.340 -0.001 0.000 0.266 302 R C -1.344 175.142 176.300 0.310 0.000 1.061 302 R CA -0.682 55.490 56.100 0.119 0.000 0.943 302 R CB 1.177 31.301 30.300 -0.293 0.000 1.237 302 R HN 0.222 nan 8.270 nan 0.000 0.459 303 W N 1.747 122.964 121.300 -0.139 0.000 2.055 303 W HA 0.182 4.842 4.660 -0.001 0.000 0.291 303 W C -0.781 175.641 176.519 -0.162 0.000 1.037 303 W CA -0.545 56.735 57.345 -0.109 0.000 1.061 303 W CB 0.163 29.575 29.460 -0.080 0.000 0.994 303 W HN 0.687 nan 8.180 nan 0.000 0.273 304 Y N 0.946 121.151 120.300 -0.158 0.000 2.384 304 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 304 Y C 2.022 177.846 175.900 -0.126 0.000 1.152 304 Y CA 1.797 59.822 58.100 -0.126 0.000 1.258 304 Y CB -0.086 38.263 38.460 -0.185 0.000 0.979 304 Y HN 0.100 nan 8.280 nan 0.000 0.549 305 D N 0.142 120.517 120.400 -0.042 0.000 2.178 305 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 305 D C 1.000 177.098 176.300 -0.336 0.000 0.980 305 D CA 1.032 54.882 54.000 -0.251 0.000 0.842 305 D CB -0.180 40.342 40.800 -0.463 0.000 0.948 305 D HN 0.046 nan 8.370 nan 0.000 0.472 306 K N 0.554 120.959 120.400 0.007 0.000 2.350 306 K HA 0.122 4.441 4.320 -0.001 0.000 0.279 306 K C 1.066 177.692 176.600 0.043 0.000 1.027 306 K CA 0.056 56.404 56.287 0.102 0.000 0.969 306 K CB 0.824 33.474 32.500 0.250 0.000 0.954 306 K HN -0.287 nan 8.250 nan 0.000 0.474 307 S N 2.809 118.549 115.700 0.067 0.000 2.359 307 S HA -0.075 4.394 4.470 -0.001 0.000 0.224 307 S C 0.404 175.037 174.600 0.054 0.000 1.035 307 S CA 1.012 59.245 58.200 0.054 0.000 1.018 307 S CB -0.225 63.091 63.200 0.194 0.000 0.876 307 S HN 0.501 nan 8.310 nan 0.000 0.448 308 L N 1.349 122.609 121.223 0.061 0.000 2.356 308 L HA 0.463 4.802 4.340 -0.001 0.000 0.277 308 L C -0.700 176.103 176.870 -0.112 0.000 0.996 308 L CA -0.321 54.462 54.840 -0.096 0.000 0.822 308 L CB 1.744 43.730 42.059 -0.122 0.000 1.256 308 L HN 0.067 nan 8.230 nan 0.000 0.413 309 Q N 3.655 123.309 119.800 -0.244 0.000 2.401 309 Q HA 0.422 4.761 4.340 -0.001 0.000 0.260 309 Q C -1.358 174.514 176.000 -0.213 0.000 1.034 309 Q CA -0.433 55.298 55.803 -0.120 0.000 0.737 309 Q CB 1.781 30.450 28.738 -0.116 0.000 1.227 309 Q HN 0.392 nan 8.270 nan 0.000 0.488 310 F N 1.499 121.499 119.950 0.083 0.000 2.445 310 F HA 0.219 4.746 4.527 -0.001 0.000 0.359 310 F C 0.314 176.159 175.800 0.075 0.000 1.101 310 F CA -0.600 57.454 58.000 0.090 0.000 1.177 310 F CB 0.791 39.891 39.000 0.166 0.000 1.110 310 F HN 0.144 nan 8.300 nan 0.000 0.522 311 V N 5.036 125.034 119.914 0.141 0.000 2.394 311 V HA 0.386 4.506 4.120 -0.001 0.000 0.282 311 V C -0.331 175.869 176.094 0.176 0.000 1.031 311 V CA -0.676 61.687 62.300 0.105 0.000 0.881 311 V CB 1.546 33.363 31.823 -0.011 0.000 0.982 311 V HN 0.469 nan 8.190 nan 0.000 0.451 312 V N 4.777 124.819 119.914 0.213 0.000 2.380 312 V HA 0.527 4.646 4.120 -0.001 0.000 0.272 312 V C 0.713 176.934 176.094 0.212 0.000 1.011 312 V CA -0.440 62.025 62.300 0.274 0.000 0.826 312 V CB 1.267 33.312 31.823 0.370 0.000 1.040 312 V HN 0.917 nan 8.190 nan 0.000 0.441 313 G N 2.027 110.931 108.800 0.173 0.000 2.476 313 G HA2 0.379 4.338 3.960 -0.001 0.000 0.269 313 G HA3 0.379 4.338 3.960 -0.001 0.000 0.269 313 G C 0.708 175.740 174.900 0.220 0.000 1.195 313 G CA -0.395 44.789 45.100 0.141 0.000 0.843 313 G HN 0.655 nan 8.290 nan 0.000 0.545 314 R N 0.583 121.180 120.500 0.161 0.000 2.117 314 R HA -0.162 4.177 4.340 -0.001 0.000 0.243 314 R C 1.880 178.304 176.300 0.207 0.000 1.143 314 R CA 2.395 58.606 56.100 0.186 0.000 0.968 314 R CB -0.254 30.102 30.300 0.093 0.000 0.863 314 R HN 0.653 nan 8.270 nan 0.000 0.444 315 D N -2.192 118.265 120.400 0.095 0.000 2.349 315 D HA 0.119 4.758 4.640 -0.001 0.000 0.224 315 D C 1.051 177.280 176.300 -0.119 0.000 1.029 315 D CA 0.816 54.828 54.000 0.019 0.000 0.879 315 D CB 0.046 40.858 40.800 0.020 0.000 0.906 315 D HN 0.406 nan 8.370 nan 0.000 0.528 316 G N -0.962 107.696 108.800 -0.238 0.000 2.184 316 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.206 316 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.206 316 G C 0.269 174.965 174.900 -0.340 0.000 0.995 316 G CA 0.028 44.742 45.100 -0.644 0.000 0.651 316 G HN 0.372 nan 8.290 nan 0.000 0.511 317 T N 1.548 116.021 114.554 -0.135 0.000 2.738 317 T HA 0.491 4.841 4.350 -0.001 0.000 0.293 317 T C 0.252 174.919 174.700 -0.054 0.000 0.913 317 T CA 0.503 62.561 62.100 -0.070 0.000 1.103 317 T CB 0.633 69.488 68.868 -0.020 0.000 0.880 317 T HN 0.475 nan 8.240 nan 0.000 0.526 318 C N 2.717 121.976 119.300 -0.067 0.000 2.848 318 C HA 1.047 5.506 4.460 -0.001 0.000 0.317 318 C C 0.980 175.768 174.990 -0.336 0.000 1.260 318 C CA -0.461 58.536 59.018 -0.036 0.000 1.656 318 C CB 1.437 29.275 27.740 0.164 0.000 2.174 318 C HN 1.133 nan 8.230 nan 0.000 0.479 319 G N -0.512 107.855 108.800 -0.723 0.000 2.367 319 G HA2 0.471 4.430 3.960 -0.001 0.000 0.272 319 G HA3 0.471 4.430 3.960 -0.001 0.000 0.272 319 G C -2.044 172.299 174.900 -0.928 0.000 1.271 319 G CA 0.286 44.430 45.100 -1.593 0.000 0.893 319 G HN 1.372 nan 8.290 nan 0.000 0.485 320 V N -0.033 119.489 119.914 -0.654 0.000 2.711 320 V HA 0.614 4.733 4.120 -0.001 0.000 0.304 320 V C -0.758 175.148 176.094 -0.313 0.000 1.097 320 V CA -0.607 61.433 62.300 -0.433 0.000 0.906 320 V CB 1.638 33.178 31.823 -0.473 0.000 1.015 320 V HN 1.002 nan 8.190 nan 0.000 0.427 321 V N 5.947 125.703 119.914 -0.264 0.000 2.498 321 V HA 0.439 4.558 4.120 -0.001 0.000 0.279 321 V C 0.272 176.270 176.094 -0.160 0.000 1.048 321 V CA -0.293 61.906 62.300 -0.168 0.000 0.967 321 V CB 1.241 32.980 31.823 -0.140 0.000 0.988 321 V HN 0.997 nan 8.190 nan 0.000 0.473 322 C N 5.196 124.429 119.300 -0.112 0.000 2.408 322 C HA 0.486 4.945 4.460 -0.001 0.000 0.321 322 C C -0.014 174.886 174.990 -0.150 0.000 1.245 322 C CA -0.630 58.318 59.018 -0.118 0.000 1.523 322 C CB 0.928 28.612 27.740 -0.094 0.000 2.178 322 C HN 0.950 nan 8.230 nan 0.000 0.488 323 E N 3.446 123.534 120.200 -0.187 0.000 2.223 323 E HA 0.093 4.442 4.350 -0.001 0.000 0.282 323 E C 0.764 177.090 176.600 -0.456 0.000 1.046 323 E CA 0.205 56.474 56.400 -0.219 0.000 0.857 323 E CB 0.399 30.000 29.700 -0.164 0.000 1.055 323 E HN 0.909 nan 8.360 nan 0.000 0.409 324 H N 3.223 121.984 119.070 -0.515 0.000 2.387 324 H HA -0.126 4.430 4.556 -0.001 0.000 0.299 324 H C 1.928 176.626 175.328 -1.050 0.000 1.090 324 H CA 1.917 57.510 56.048 -0.759 0.000 1.332 324 H CB 0.272 29.595 29.762 -0.732 0.000 1.386 324 H HN 0.542 nan 8.280 nan 0.000 0.516 325 S N 0.414 115.621 115.700 -0.821 0.000 2.402 325 S HA -0.071 4.398 4.470 -0.001 0.000 0.233 325 S C -0.598 173.831 174.600 -0.285 0.000 1.030 325 S CA 1.145 58.955 58.200 -0.650 0.000 1.003 325 S CB -0.947 62.067 63.200 -0.310 0.000 0.813 325 S HN 0.415 nan 8.310 nan 0.000 0.477 326 P HA 0.290 nan 4.420 nan 0.000 0.245 326 P C 0.027 177.339 177.300 0.020 0.000 1.203 326 P CA 0.221 63.258 63.100 -0.106 0.000 0.792 326 P CB -0.231 31.461 31.700 -0.013 0.000 0.997 327 F N -2.864 117.074 119.950 -0.019 0.000 2.799 327 F HA 0.548 5.075 4.527 -0.001 0.000 0.316 327 F C -1.310 174.463 175.800 -0.044 0.000 1.155 327 F CA -1.523 56.456 58.000 -0.034 0.000 0.916 327 F CB 0.088 39.013 39.000 -0.126 0.000 1.294 327 F HN -0.400 nan 8.300 nan 0.000 0.447 328 D N 0.222 120.751 120.400 0.215 0.000 2.385 328 D HA 0.355 4.995 4.640 -0.001 0.000 0.254 328 D C 1.102 177.458 176.300 0.093 0.000 1.053 328 D CA -0.059 54.017 54.000 0.126 0.000 0.992 328 D CB 1.748 42.663 40.800 0.191 0.000 1.145 328 D HN 0.932 nan 8.370 nan 0.000 0.523 329 G N 0.379 109.191 108.800 0.021 0.000 2.475 329 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.220 329 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.220 329 G C 1.393 176.309 174.900 0.026 0.000 1.125 329 G CA 0.504 45.619 45.100 0.026 0.000 0.755 329 G HN 0.373 nan 8.290 nan 0.000 0.565 330 I N 0.774 121.356 120.570 0.021 0.000 2.163 330 I HA -0.089 4.080 4.170 -0.001 0.000 0.240 330 I C 2.969 179.054 176.117 -0.053 0.000 1.081 330 I CA 0.606 61.908 61.300 0.004 0.000 1.353 330 I CB -1.362 36.646 38.000 0.014 0.000 1.054 330 I HN 0.040 nan 8.210 nan 0.000 0.407 331 V N 1.125 120.949 119.914 -0.150 0.000 2.332 331 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 331 V C 2.604 178.493 176.094 -0.342 0.000 1.055 331 V CA 1.563 63.608 62.300 -0.424 0.000 1.038 331 V CB -0.718 30.703 31.823 -0.670 0.000 0.651 331 V HN 0.340 nan 8.190 nan 0.000 0.450 332 L N 0.026 121.124 121.223 -0.209 0.000 2.012 332 L HA -0.126 4.213 4.340 -0.001 0.000 0.210 332 L C 2.360 179.183 176.870 -0.078 0.000 1.073 332 L CA 1.955 56.692 54.840 -0.171 0.000 0.748 332 L CB -0.651 41.421 42.059 0.022 0.000 0.891 332 L HN 0.123 nan 8.230 nan 0.000 0.431 333 V N -0.145 119.758 119.914 -0.017 0.000 2.407 333 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 333 V C 2.708 178.820 176.094 0.030 0.000 1.055 333 V CA 1.650 63.966 62.300 0.027 0.000 1.049 333 V CB -0.666 31.184 31.823 0.045 0.000 0.662 333 V HN 0.551 nan 8.190 nan 0.000 0.455 334 Q N -1.042 118.782 119.800 0.039 0.000 2.084 334 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 334 Q C 2.459 178.517 176.000 0.097 0.000 0.978 334 Q CA 2.023 57.895 55.803 0.115 0.000 0.844 334 Q CB -1.252 27.620 28.738 0.223 0.000 0.898 334 Q HN 0.741 nan 8.270 nan 0.000 0.426 335 C N 1.154 120.445 119.300 -0.015 0.000 2.436 335 C HA -0.159 4.300 4.460 -0.001 0.000 0.277 335 C C 3.092 177.914 174.990 -0.280 0.000 1.241 335 C CA 2.142 60.955 59.018 -0.341 0.000 1.721 335 C CB -1.083 26.422 27.740 -0.391 0.000 2.043 335 C HN 0.749 nan 8.230 nan 0.000 0.472 336 T N -1.064 113.439 114.554 -0.086 0.000 2.684 336 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 336 T C 1.614 176.274 174.700 -0.068 0.000 1.036 336 T CA 2.046 64.147 62.100 0.001 0.000 1.148 336 T CB -0.808 68.151 68.868 0.152 0.000 0.863 336 T HN 0.762 nan 8.240 nan 0.000 0.436 337 E N -0.009 120.178 120.200 -0.021 0.000 2.153 337 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 337 E C 2.248 178.853 176.600 0.009 0.000 0.988 337 E CA 1.098 57.487 56.400 -0.018 0.000 0.811 337 E CB -0.241 29.473 29.700 0.023 0.000 0.746 337 E HN 0.632 nan 8.360 nan 0.000 0.466 338 H N 1.094 120.128 119.070 -0.061 0.000 2.333 338 H HA -0.040 4.515 4.556 -0.002 0.000 0.302 338 H C 2.110 177.415 175.328 -0.038 0.000 1.075 338 H CA 1.077 57.122 56.048 -0.004 0.000 1.348 338 H CB -0.125 29.687 29.762 0.083 0.000 1.393 338 H HN 0.128 nan 8.280 nan 0.000 0.509 339 L N 0.363 121.641 121.223 0.091 0.000 1.989 339 L HA -0.234 4.106 4.340 -0.001 0.000 0.211 339 L C 2.995 179.833 176.870 -0.054 0.000 1.071 339 L CA 1.260 56.092 54.840 -0.013 0.000 0.749 339 L CB -0.644 41.326 42.059 -0.148 0.000 0.890 339 L HN 0.235 nan 8.230 nan 0.000 0.431 340 L N -0.186 120.951 121.223 -0.143 0.000 2.083 340 L HA -0.240 4.099 4.340 -0.001 0.000 0.209 340 L C 2.701 179.519 176.870 -0.086 0.000 1.083 340 L CA 1.346 56.085 54.840 -0.169 0.000 0.752 340 L CB -0.550 41.358 42.059 -0.251 0.000 0.899 340 L HN 0.321 nan 8.230 nan 0.000 0.433 341 K N -0.594 119.763 120.400 -0.072 0.000 2.097 341 K HA -0.242 4.077 4.320 -0.001 0.000 0.205 341 K C 2.329 178.885 176.600 -0.073 0.000 1.050 341 K CA 1.117 57.355 56.287 -0.081 0.000 0.938 341 K CB -0.180 32.248 32.500 -0.121 0.000 0.718 341 K HN 0.330 nan 8.250 nan 0.000 0.442 342 H N 0.532 119.515 119.070 -0.145 0.000 2.456 342 H HA -0.051 4.504 4.556 -0.002 0.000 0.296 342 H C 1.611 176.881 175.328 -0.097 0.000 1.079 342 H CA 1.583 57.568 56.048 -0.106 0.000 1.322 342 H CB 0.112 29.859 29.762 -0.024 0.000 1.388 342 H HN 0.273 nan 8.280 nan 0.000 0.538 343 M N -0.411 119.200 119.600 0.019 0.000 2.419 343 M HA -0.063 4.416 4.480 -0.001 0.000 0.264 343 M C 1.971 178.222 176.300 -0.082 0.000 1.082 343 M CA 1.081 56.350 55.300 -0.051 0.000 1.119 343 M CB 0.250 32.774 32.600 -0.126 0.000 1.398 343 M HN 0.096 nan 8.290 nan 0.000 0.453 344 T N -0.354 114.152 114.554 -0.080 0.000 2.942 344 T HA 0.006 4.355 4.350 -0.001 0.000 0.265 344 T C 0.907 175.548 174.700 -0.098 0.000 1.062 344 T CA 0.608 62.668 62.100 -0.066 0.000 1.139 344 T CB 0.055 68.892 68.868 -0.052 0.000 0.883 344 T HN 0.268 nan 8.240 nan 0.000 0.468 345 Q N 2.358 122.063 119.800 -0.158 0.000 2.314 345 Q HA 0.239 4.578 4.340 -0.001 0.000 0.258 345 Q C -2.004 173.870 176.000 -0.209 0.000 0.954 345 Q CA -1.984 53.704 55.803 -0.191 0.000 0.890 345 Q CB 0.324 28.914 28.738 -0.246 0.000 1.210 345 Q HN 0.279 nan 8.270 nan 0.000 0.410 350 L N 1.888 123.081 121.223 -0.050 0.000 2.416 350 L HA 0.216 4.555 4.340 -0.001 0.000 0.212 350 L C -0.004 176.852 176.870 -0.023 0.000 1.200 350 L CA 0.112 54.932 54.840 -0.033 0.000 0.841 350 L CB 0.529 42.578 42.059 -0.017 0.000 1.299 350 L HN 0.417 nan 8.230 nan 0.000 0.538 351 V N 0.706 120.611 119.914 -0.016 0.000 3.376 351 V HA 0.169 4.288 4.120 -0.001 0.000 0.303 351 V C 0.664 176.754 176.094 -0.007 0.000 1.100 351 V CA -0.393 61.900 62.300 -0.012 0.000 1.126 351 V CB 0.413 32.231 31.823 -0.009 0.000 1.085 351 V HN 0.676 nan 8.190 nan 0.000 0.480 352 R N 1.353 121.850 120.500 -0.005 0.000 2.582 352 R HA 0.424 4.763 4.340 -0.001 0.000 0.271 352 R C -0.144 176.158 176.300 0.003 0.000 1.078 352 R CA -0.071 56.029 56.100 -0.001 0.000 1.127 352 R CB 0.810 31.109 30.300 -0.001 0.000 1.038 352 R HN 0.848 nan 8.270 nan 0.000 0.500 353 S N 2.063 117.767 115.700 0.007 0.000 2.669 353 S HA 0.470 4.939 4.470 -0.001 0.000 0.315 353 S C -2.604 172.002 174.600 0.010 0.000 1.106 353 S CA -1.609 56.597 58.200 0.009 0.000 1.107 353 S CB 1.920 65.127 63.200 0.012 0.000 0.990 353 S HN 0.371 nan 8.310 nan 0.000 0.471 354 P HA 0.529 nan 4.420 nan 0.000 0.305 354 P C -1.297 176.007 177.300 0.007 0.000 1.378 354 P CA -0.728 62.378 63.100 0.009 0.000 0.926 354 P CB 1.577 33.282 31.700 0.007 0.000 1.051 355 M N 4.453 124.057 119.600 0.007 0.000 2.044 355 M HA 0.329 4.808 4.480 -0.001 0.000 0.333 355 M C -1.682 174.618 176.300 0.001 0.000 1.004 355 M CA -0.655 54.647 55.300 0.003 0.000 0.954 355 M CB 0.621 33.222 32.600 0.002 0.000 1.468 355 M HN -0.010 nan 8.290 nan 0.000 0.414 356 V N 7.368 127.281 119.914 -0.000 0.000 2.443 356 V HA 0.636 4.755 4.120 -0.001 0.000 0.293 356 V C -1.764 174.327 176.094 -0.004 0.000 1.021 356 V CA -0.956 61.343 62.300 -0.002 0.000 0.848 356 V CB 1.320 33.143 31.823 -0.000 0.000 0.998 356 V HN 0.820 nan 8.190 nan 0.000 0.424 360 P HA 0.341 nan 4.420 nan 0.000 0.269 360 P C -0.682 176.609 177.300 -0.015 0.000 1.211 360 P CA -0.016 63.075 63.100 -0.015 0.000 0.781 360 P CB 0.599 32.290 31.700 -0.017 0.000 0.877 361 A N 3.093 125.906 122.820 -0.012 0.000 2.327 361 A HA 0.510 4.829 4.320 -0.001 0.000 0.283 361 A C -2.155 175.434 177.584 0.008 0.000 1.127 361 A CA -1.401 50.630 52.037 -0.010 0.000 0.810 361 A CB -0.825 18.172 19.000 -0.006 0.000 1.066 361 A HN 0.409 nan 8.150 nan 0.000 0.492 362 P HA 0.166 nan 4.420 nan 0.000 0.266 362 P C -0.496 176.883 177.300 0.130 0.000 1.195 362 P CA 0.276 63.413 63.100 0.062 0.000 0.768 362 P CB 0.379 32.104 31.700 0.041 0.000 0.838 363 R N 2.214 122.779 120.500 0.109 0.000 2.297 363 R HA 0.314 4.653 4.340 -0.001 0.000 0.308 363 R C 0.561 176.915 176.300 0.089 0.000 1.029 363 R CA -0.644 55.500 56.100 0.074 0.000 0.929 363 R CB 0.927 31.214 30.300 -0.021 0.000 1.046 363 R HN 0.404 nan 8.270 nan 0.000 0.461 364 R N 4.457 124.964 120.500 0.012 0.000 2.265 364 R HA 0.161 4.500 4.340 -0.001 0.000 0.314 364 R C -0.520 175.617 176.300 -0.271 0.000 1.053 364 R CA -0.407 55.511 56.100 -0.303 0.000 0.931 364 R CB 0.504 30.601 30.300 -0.338 0.000 1.024 364 R HN 0.554 nan 8.270 nan 0.000 0.457 365 L N 5.780 126.817 121.223 -0.309 0.000 2.462 365 L HA 0.157 4.496 4.340 -0.001 0.000 0.272 365 L C 0.765 177.326 176.870 -0.516 0.000 1.166 365 L CA 0.356 54.955 54.840 -0.402 0.000 0.880 365 L CB 0.375 42.182 42.059 -0.419 0.000 1.142 365 L HN 0.521 nan 8.230 nan 0.000 0.473 366 R N 2.843 123.029 120.500 -0.523 0.000 2.457 366 R HA 0.417 4.757 4.340 -0.001 0.000 0.284 366 R C -1.400 174.569 176.300 -0.552 0.000 1.024 366 R CA -0.415 55.456 56.100 -0.383 0.000 1.025 366 R CB 1.186 31.365 30.300 -0.201 0.000 1.063 366 R HN 0.464 nan 8.270 nan 0.000 0.493 367 W N 1.450 122.769 121.300 0.033 0.000 2.883 367 W HA 0.355 5.015 4.660 -0.000 0.000 0.335 367 W C -0.275 176.274 176.519 0.051 0.000 1.083 367 W CA -0.941 56.439 57.345 0.059 0.000 1.233 367 W CB 1.486 31.005 29.460 0.099 0.000 1.412 367 W HN 0.018 nan 8.180 nan 0.000 0.490 368 K N 3.261 123.835 120.400 0.291 0.000 2.296 368 K HA 0.362 4.681 4.320 -0.001 0.000 0.257 368 K C -0.425 176.285 176.600 0.184 0.000 1.088 368 K CA -0.409 55.987 56.287 0.181 0.000 0.980 368 K CB 0.447 33.019 32.500 0.120 0.000 1.430 368 K HN 0.426 nan 8.250 nan 0.000 0.441 369 C N 1.581 120.980 119.300 0.166 0.000 2.534 369 C HA 0.472 4.931 4.460 -0.001 0.000 0.385 369 C C 1.263 176.310 174.990 0.095 0.000 1.264 369 C CA -0.324 58.771 59.018 0.127 0.000 2.342 369 C CB 0.495 28.299 27.740 0.106 0.000 2.564 369 C HN 0.883 nan 8.230 nan 0.000 0.603 370 S N 1.135 116.885 115.700 0.084 0.000 2.740 370 S HA 0.565 5.035 4.470 -0.001 0.000 0.300 370 S C -2.516 172.118 174.600 0.056 0.000 1.147 370 S CA -0.935 57.306 58.200 0.068 0.000 0.871 370 S CB 1.120 64.362 63.200 0.071 0.000 1.173 370 S HN 0.390 nan 8.310 nan 0.000 0.510 371 P HA -0.002 nan 4.420 nan 0.000 0.217 371 P C 1.163 178.477 177.300 0.024 0.000 1.150 371 P CA 1.163 64.279 63.100 0.025 0.000 0.832 371 P CB 0.042 31.752 31.700 0.017 0.000 0.787 372 E N -0.426 119.803 120.200 0.048 0.000 2.005 372 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 372 E C 1.969 178.651 176.600 0.137 0.000 1.010 372 E CA 1.122 57.565 56.400 0.072 0.000 0.825 372 E CB -0.635 29.144 29.700 0.132 0.000 0.769 372 E HN 0.075 nan 8.360 nan 0.000 0.456 373 I N 1.314 121.998 120.570 0.191 0.000 2.236 373 I HA -0.302 3.867 4.170 -0.001 0.000 0.249 373 I C 2.519 178.701 176.117 0.107 0.000 1.102 373 I CA 1.472 62.890 61.300 0.196 0.000 1.365 373 I CB -1.182 36.888 38.000 0.116 0.000 1.051 373 I HN 0.210 nan 8.210 nan 0.000 0.420 374 Q N 1.054 120.883 119.800 0.049 0.000 2.124 374 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 374 Q C 2.239 178.222 176.000 -0.028 0.000 0.977 374 Q CA 2.079 57.884 55.803 0.004 0.000 0.850 374 Q CB -0.761 27.978 28.738 0.002 0.000 0.901 374 Q HN 0.511 nan 8.270 nan 0.000 0.429 375 G N -0.788 107.977 108.800 -0.057 0.000 2.402 375 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 375 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 375 G C 1.252 176.062 174.900 -0.149 0.000 1.162 375 G CA 0.746 45.768 45.100 -0.130 0.000 0.777 375 G HN 0.423 nan 8.290 nan 0.000 0.539 376 H N 0.401 119.455 119.070 -0.027 0.000 2.387 376 H HA 0.039 4.594 4.556 -0.001 0.000 0.299 376 H C 2.713 177.998 175.328 -0.070 0.000 1.090 376 H CA 0.999 57.030 56.048 -0.028 0.000 1.332 376 H CB -0.150 29.616 29.762 0.006 0.000 1.386 376 H HN 0.265 nan 8.280 nan 0.000 0.516 377 L N 0.058 121.293 121.223 0.020 0.000 2.083 377 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 377 L C 2.912 179.696 176.870 -0.143 0.000 1.083 377 L CA 0.886 55.667 54.840 -0.098 0.000 0.752 377 L CB -0.441 41.542 42.059 -0.127 0.000 0.899 377 L HN 0.201 nan 8.230 nan 0.000 0.433 378 A N -0.654 122.100 122.820 -0.109 0.000 1.877 378 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 378 A C 2.518 180.046 177.584 -0.093 0.000 1.186 378 A CA 2.095 54.066 52.037 -0.109 0.000 0.620 378 A CB -0.669 18.282 19.000 -0.082 0.000 0.822 378 A HN 0.349 nan 8.150 nan 0.000 0.443 379 S N 0.196 115.852 115.700 -0.074 0.000 2.353 379 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 379 S C 2.325 176.888 174.600 -0.062 0.000 1.035 379 S CA 1.614 59.780 58.200 -0.057 0.000 1.025 379 S CB -0.388 62.792 63.200 -0.033 0.000 0.902 379 S HN 0.645 nan 8.310 nan 0.000 0.440 380 S N 1.657 117.315 115.700 -0.069 0.000 2.383 380 S HA -0.098 4.371 4.470 -0.001 0.000 0.229 380 S C 2.233 176.765 174.600 -0.115 0.000 1.030 380 S CA 1.005 59.146 58.200 -0.098 0.000 1.002 380 S CB -0.564 62.557 63.200 -0.131 0.000 0.829 380 S HN 0.606 nan 8.310 nan 0.000 0.467 381 A N 1.556 124.292 122.820 -0.141 0.000 1.883 381 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 381 A C 2.077 179.622 177.584 -0.065 0.000 1.186 381 A CA 2.019 53.977 52.037 -0.131 0.000 0.624 381 A CB -0.668 18.209 19.000 -0.206 0.000 0.822 381 A HN 0.514 nan 8.150 nan 0.000 0.444 382 E N 0.206 120.366 120.200 -0.066 0.000 2.072 382 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 382 E C 1.871 178.437 176.600 -0.057 0.000 0.985 382 E CA 1.577 57.947 56.400 -0.051 0.000 0.801 382 E CB -0.136 29.534 29.700 -0.049 0.000 0.750 382 E HN 0.400 nan 8.360 nan 0.000 0.452 383 K N 0.610 120.970 120.400 -0.067 0.000 2.057 383 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 383 K C 2.088 178.637 176.600 -0.085 0.000 1.049 383 K CA 0.857 57.099 56.287 -0.075 0.000 0.931 383 K CB -0.694 31.760 32.500 -0.077 0.000 0.714 383 K HN 0.271 nan 8.250 nan 0.000 0.440 384 L N 1.506 122.678 121.223 -0.085 0.000 2.056 384 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 384 L C 2.271 179.088 176.870 -0.089 0.000 1.078 384 L CA 1.770 56.557 54.840 -0.088 0.000 0.749 384 L CB -0.571 41.449 42.059 -0.064 0.000 0.901 384 L HN 0.165 nan 8.230 nan 0.000 0.433 385 Q N 0.368 120.130 119.800 -0.065 0.000 2.135 385 Q HA -0.213 4.127 4.340 -0.001 0.000 0.204 385 Q C 2.272 178.228 176.000 -0.074 0.000 0.981 385 Q CA 1.808 57.573 55.803 -0.065 0.000 0.856 385 Q CB -0.097 28.620 28.738 -0.034 0.000 0.902 385 Q HN 0.419 nan 8.270 nan 0.000 0.425 386 R N -0.598 119.860 120.500 -0.069 0.000 2.081 386 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 386 R C 2.307 178.566 176.300 -0.068 0.000 1.131 386 R CA 1.512 57.572 56.100 -0.066 0.000 0.960 386 R CB -0.368 29.886 30.300 -0.076 0.000 0.856 386 R HN 0.338 nan 8.270 nan 0.000 0.436 387 I N 0.243 120.763 120.570 -0.084 0.000 2.226 387 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 387 I C 2.258 178.339 176.117 -0.060 0.000 1.100 387 I CA 1.094 62.361 61.300 -0.056 0.000 1.374 387 I CB -0.247 37.717 38.000 -0.060 0.000 1.057 387 I HN -0.003 nan 8.210 nan 0.000 0.413 388 V N 2.003 121.792 119.914 -0.208 0.000 2.295 388 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 388 V C 2.413 178.446 176.094 -0.101 0.000 1.049 388 V CA 2.415 64.466 62.300 -0.414 0.000 1.024 388 V CB -0.707 30.835 31.823 -0.468 0.000 0.648 388 V HN 0.521 nan 8.190 nan 0.000 0.447 389 K N 0.595 120.976 120.400 -0.031 0.000 2.366 389 K HA -0.086 4.234 4.320 -0.001 0.000 0.198 389 K C 1.535 178.242 176.600 0.177 0.000 1.044 389 K CA 1.661 57.982 56.287 0.057 0.000 0.973 389 K CB -0.897 31.610 32.500 0.012 0.000 0.767 389 K HN 0.510 nan 8.250 nan 0.000 0.475 390 N N 0.038 118.830 118.700 0.154 0.000 2.416 390 N HA -0.024 4.715 4.740 -0.001 0.000 0.177 390 N C -0.469 175.245 175.510 0.340 0.000 1.036 390 N CA -0.208 52.980 53.050 0.229 0.000 0.901 390 N CB 0.172 38.701 38.487 0.071 0.000 0.976 390 N HN 0.160 nan 8.380 nan 0.000 0.444 391 L N 2.101 123.508 121.223 0.307 0.000 2.369 391 L HA 0.129 4.468 4.340 -0.001 0.000 0.279 391 L C -0.820 176.114 176.870 0.106 0.000 1.108 391 L CA 0.199 55.193 54.840 0.255 0.000 0.852 391 L CB 0.674 42.908 42.059 0.292 0.000 1.169 391 L HN -0.052 nan 8.230 nan 0.000 0.452 392 D N 5.022 125.323 120.400 -0.165 0.000 2.443 392 D HA 0.235 4.874 4.640 -0.001 0.000 0.221 392 D C -1.371 174.961 176.300 0.053 0.000 1.097 392 D CA 0.006 53.822 54.000 -0.306 0.000 0.865 392 D CB 0.106 40.484 40.800 -0.703 0.000 1.034 392 D HN 0.343 nan 8.370 nan 0.000 0.511 393 F N 4.112 124.072 119.950 0.016 0.000 2.546 393 F HA 0.663 5.190 4.527 -0.001 0.000 0.320 393 F C -1.401 174.445 175.800 0.077 0.000 1.076 393 F CA -1.072 56.956 58.000 0.047 0.000 0.928 393 F CB 1.286 40.327 39.000 0.068 0.000 1.189 393 F HN 0.292 nan 8.300 nan 0.000 0.465 394 I N 4.914 124.967 120.570 -0.863 0.000 2.775 394 I HA 0.474 4.643 4.170 -0.001 0.000 0.295 394 I C -1.819 173.856 176.117 -0.736 0.000 1.287 394 I CA -0.748 60.214 61.300 -0.563 0.000 1.029 394 I CB 2.108 39.983 38.000 -0.209 0.000 1.282 394 I HN 0.331 nan 8.210 nan 0.000 0.426 395 V N 7.322 126.990 119.914 -0.410 0.000 2.333 395 V HA 0.300 4.419 4.120 -0.001 0.000 0.274 395 V C -1.040 175.003 176.094 -0.085 0.000 1.028 395 V CA -0.418 61.701 62.300 -0.301 0.000 0.851 395 V CB 1.019 32.651 31.823 -0.320 0.000 1.000 395 V HN 0.524 nan 8.190 nan 0.000 0.456 396 Y N 5.244 125.473 120.300 -0.118 0.000 2.328 396 Y HA 0.507 5.056 4.550 -0.001 0.000 0.336 396 Y C -0.059 175.888 175.900 0.078 0.000 0.960 396 Y CA -1.392 56.697 58.100 -0.018 0.000 1.134 396 Y CB 1.415 39.876 38.460 0.002 0.000 1.166 396 Y HN 0.583 nan 8.280 nan 0.000 0.464 397 K N 7.913 127.987 120.400 -0.542 0.000 2.347 397 K HA 0.240 4.559 4.320 -0.001 0.000 0.262 397 K C -1.483 174.681 176.600 -0.726 0.000 1.052 397 K CA -0.610 55.379 56.287 -0.497 0.000 0.946 397 K CB 0.223 32.568 32.500 -0.257 0.000 1.220 397 K HN 0.652 nan 8.250 nan 0.000 0.450 398 F N 5.149 124.629 119.950 -0.782 0.000 2.471 398 F HA 0.073 4.599 4.527 -0.001 0.000 0.365 398 F C 0.486 176.119 175.800 -0.278 0.000 1.095 398 F CA -0.080 57.629 58.000 -0.484 0.000 1.174 398 F CB 0.680 39.579 39.000 -0.168 0.000 1.105 398 F HN 0.632 nan 8.300 nan 0.000 0.535 399 D N 1.935 121.917 120.400 -0.697 0.000 2.469 399 D HA 0.013 4.652 4.640 -0.001 0.000 0.215 399 D C 1.034 177.002 176.300 -0.553 0.000 1.154 399 D CA 0.094 53.803 54.000 -0.484 0.000 0.832 399 D CB -0.650 39.979 40.800 -0.285 0.000 1.008 399 D HN 0.497 nan 8.370 nan 0.000 0.506 400 N N -0.112 117.973 118.700 -1.024 0.000 2.244 400 N HA -0.034 4.705 4.740 -0.001 0.000 0.183 400 N C -0.374 175.039 175.510 -0.162 0.000 1.016 400 N CA 1.150 53.862 53.050 -0.563 0.000 0.866 400 N CB 0.087 38.249 38.487 -0.542 0.000 0.980 400 N HN 0.475 nan 8.380 nan 0.000 0.430 401 Y N -5.039 115.135 120.300 -0.210 0.000 2.814 401 Y HA 0.613 5.162 4.550 -0.001 0.000 0.348 401 Y C -0.147 175.854 175.900 0.169 0.000 1.245 401 Y CA -0.971 57.134 58.100 0.009 0.000 1.086 401 Y CB 0.455 38.879 38.460 -0.060 0.000 1.373 401 Y HN -0.122 nan 8.280 nan 0.000 0.451 402 G N 0.617 109.642 108.800 0.376 0.000 3.107 402 G HA2 0.326 4.285 3.960 -0.001 0.000 0.233 402 G HA3 0.326 4.285 3.960 -0.001 0.000 0.233 402 G C -0.485 174.559 174.900 0.240 0.000 1.168 402 G CA -0.751 44.487 45.100 0.231 0.000 0.801 402 G HN 0.622 nan 8.290 nan 0.000 0.605 403 K N -0.335 120.136 120.400 0.119 0.000 2.044 403 K HA -0.102 4.217 4.320 -0.001 0.000 0.210 403 K C 2.639 179.273 176.600 0.055 0.000 1.049 403 K CA 2.166 58.492 56.287 0.065 0.000 0.927 403 K CB -0.535 31.995 32.500 0.049 0.000 0.713 403 K HN 0.345 nan 8.250 nan 0.000 0.443 404 T N 1.253 115.857 114.554 0.083 0.000 2.597 404 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 404 T C 1.508 176.237 174.700 0.048 0.000 1.053 404 T CA 1.822 63.960 62.100 0.062 0.000 1.165 404 T CB -0.469 68.447 68.868 0.081 0.000 0.863 404 T HN 0.255 nan 8.240 nan 0.000 0.427 405 F N 1.343 121.273 119.950 -0.034 0.000 2.134 405 F HA -0.030 4.497 4.527 -0.001 0.000 0.299 405 F C 2.003 177.679 175.800 -0.207 0.000 1.097 405 F CA 0.962 58.884 58.000 -0.130 0.000 1.264 405 F CB -0.429 38.435 39.000 -0.228 0.000 1.001 405 F HN 0.110 nan 8.300 nan 0.000 0.479 406 I N 0.430 120.879 120.570 -0.201 0.000 2.226 406 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 406 I C 2.255 178.191 176.117 -0.302 0.000 1.100 406 I CA 1.521 62.564 61.300 -0.428 0.000 1.374 406 I CB -0.529 37.201 38.000 -0.451 0.000 1.057 406 I HN 0.086 nan 8.210 nan 0.000 0.413 407 K N 0.875 121.166 120.400 -0.182 0.000 2.209 407 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 407 K C 1.916 178.417 176.600 -0.165 0.000 1.048 407 K CA 1.059 57.271 56.287 -0.124 0.000 0.940 407 K CB -0.087 32.373 32.500 -0.067 0.000 0.729 407 K HN 0.283 nan 8.250 nan 0.000 0.451 408 K N 0.532 120.781 120.400 -0.251 0.000 2.442 408 K HA -0.076 4.244 4.320 -0.001 0.000 0.198 408 K C 1.203 177.624 176.600 -0.299 0.000 1.042 408 K CA 0.699 56.828 56.287 -0.265 0.000 0.958 408 K CB 0.238 32.549 32.500 -0.315 0.000 0.766 408 K HN 0.105 nan 8.250 nan 0.000 0.474 409 Q N 0.407 120.003 119.800 -0.339 0.000 2.246 409 Q HA 0.094 4.433 4.340 -0.001 0.000 0.202 409 Q C -0.458 175.473 176.000 -0.115 0.000 0.883 409 Q CA 0.115 55.773 55.803 -0.240 0.000 0.952 409 Q CB 0.531 29.124 28.738 -0.241 0.000 1.078 409 Q HN 0.156 nan 8.270 nan 0.000 0.493 410 K N -0.186 120.151 120.400 -0.105 0.000 3.096 410 K HA -0.164 4.155 4.320 -0.001 0.000 0.266 410 K C -0.787 175.798 176.600 -0.024 0.000 1.043 410 K CA 0.369 56.623 56.287 -0.055 0.000 0.758 410 K CB -2.197 30.277 32.500 -0.043 0.000 1.260 410 K HN 0.264 nan 8.250 nan 0.000 0.481 411 C N 0.295 119.583 119.300 -0.021 0.000 2.634 411 C HA 0.409 4.869 4.460 -0.001 0.000 0.313 411 C C 0.828 175.844 174.990 0.043 0.000 1.198 411 C CA -0.867 58.175 59.018 0.041 0.000 1.605 411 C CB 1.734 29.559 27.740 0.141 0.000 2.196 411 C HN 0.533 nan 8.230 nan 0.000 0.486 412 S N 3.055 118.800 115.700 0.075 0.000 2.498 412 S HA 0.171 4.640 4.470 -0.001 0.000 0.281 412 S C -1.411 173.257 174.600 0.113 0.000 1.265 412 S CA -0.484 57.764 58.200 0.080 0.000 1.071 412 S CB 0.626 63.878 63.200 0.085 0.000 0.894 412 S HN 0.580 nan 8.310 nan 0.000 0.491 413 P HA -0.126 nan 4.420 nan 0.000 0.213 413 P C 1.065 178.470 177.300 0.176 0.000 1.170 413 P CA 1.417 64.573 63.100 0.093 0.000 0.902 413 P CB -0.062 31.677 31.700 0.066 0.000 0.789 414 D N -0.772 119.735 120.400 0.179 0.000 2.126 414 D HA -0.221 4.418 4.640 -0.001 0.000 0.190 414 D C 1.930 178.342 176.300 0.186 0.000 1.001 414 D CA 1.886 56.023 54.000 0.229 0.000 0.841 414 D CB -0.718 40.217 40.800 0.225 0.000 0.949 414 D HN 0.012 nan 8.370 nan 0.000 0.446 415 A N -0.543 122.375 122.820 0.163 0.000 1.883 415 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 415 A C 2.198 179.865 177.584 0.137 0.000 1.186 415 A CA 1.468 53.583 52.037 0.129 0.000 0.624 415 A CB -1.248 17.815 19.000 0.105 0.000 0.822 415 A HN 0.457 nan 8.150 nan 0.000 0.444 416 F N 0.611 120.570 119.950 0.015 0.000 2.126 416 F HA -0.164 4.362 4.527 -0.001 0.000 0.299 416 F C 1.966 177.766 175.800 -0.001 0.000 1.096 416 F CA 1.791 59.796 58.000 0.009 0.000 1.255 416 F CB -0.211 38.819 39.000 0.051 0.000 0.997 416 F HN 0.189 nan 8.300 nan 0.000 0.479 417 I N -0.261 120.493 120.570 0.305 0.000 2.315 417 I HA -0.263 3.906 4.170 -0.001 0.000 0.248 417 I C 2.381 178.471 176.117 -0.044 0.000 1.117 417 I CA 0.787 62.141 61.300 0.089 0.000 1.404 417 I CB -0.581 37.315 38.000 -0.173 0.000 1.071 417 I HN 0.170 nan 8.210 nan 0.000 0.419 418 Q N 0.396 120.188 119.800 -0.012 0.000 2.084 418 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 418 Q C 2.507 178.517 176.000 0.016 0.000 0.978 418 Q CA 1.414 57.231 55.803 0.024 0.000 0.844 418 Q CB -0.439 28.342 28.738 0.072 0.000 0.898 418 Q HN 0.398 nan 8.270 nan 0.000 0.426 419 V N 0.964 120.863 119.914 -0.026 0.000 2.427 419 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 419 V C 2.366 178.442 176.094 -0.030 0.000 1.051 419 V CA 1.559 63.826 62.300 -0.054 0.000 1.048 419 V CB -1.007 30.697 31.823 -0.200 0.000 0.666 419 V HN 0.302 nan 8.190 nan 0.000 0.456 420 A N -0.070 122.696 122.820 -0.089 0.000 1.902 420 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 420 A C 2.202 179.740 177.584 -0.077 0.000 1.181 420 A CA 1.718 53.699 52.037 -0.093 0.000 0.623 420 A CB -0.512 18.425 19.000 -0.104 0.000 0.818 420 A HN 0.508 nan 8.150 nan 0.000 0.443 421 L N -0.778 120.430 121.223 -0.026 0.000 2.083 421 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 421 L C 2.883 179.857 176.870 0.172 0.000 1.083 421 L CA 1.087 55.964 54.840 0.061 0.000 0.752 421 L CB -0.508 41.656 42.059 0.174 0.000 0.899 421 L HN 0.378 nan 8.230 nan 0.000 0.433 422 Q N -0.310 119.577 119.800 0.146 0.000 2.050 422 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 422 Q C 2.286 178.418 176.000 0.219 0.000 0.980 422 Q CA 1.449 57.369 55.803 0.195 0.000 0.840 422 Q CB -0.528 28.290 28.738 0.134 0.000 0.898 422 Q HN 0.368 nan 8.270 nan 0.000 0.424 423 L N 0.748 122.046 121.223 0.126 0.000 2.046 423 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 423 L C 2.140 179.026 176.870 0.028 0.000 1.077 423 L CA 2.103 56.980 54.840 0.062 0.000 0.747 423 L CB -0.904 41.166 42.059 0.020 0.000 0.896 423 L HN 0.122 nan 8.230 nan 0.000 0.432 424 A N -0.898 121.879 122.820 -0.071 0.000 1.883 424 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 424 A C 2.311 179.846 177.584 -0.082 0.000 1.186 424 A CA 1.974 53.854 52.037 -0.261 0.000 0.624 424 A CB -1.266 17.331 19.000 -0.673 0.000 0.822 424 A HN 0.538 nan 8.150 nan 0.000 0.444 425 F N -1.351 118.671 119.950 0.120 0.000 2.102 425 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 425 F C 2.203 178.139 175.800 0.226 0.000 1.105 425 F CA 2.174 60.378 58.000 0.340 0.000 1.239 425 F CB -0.398 38.829 39.000 0.379 0.000 0.991 425 F HN 0.365 nan 8.300 nan 0.000 0.474 426 Y N 1.754 122.231 120.300 0.295 0.000 2.181 426 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 426 Y C 2.726 178.613 175.900 -0.022 0.000 1.146 426 Y CA 2.212 60.411 58.100 0.165 0.000 1.164 426 Y CB -0.464 38.060 38.460 0.107 0.000 0.982 426 Y HN 0.099 nan 8.280 nan 0.000 0.515 427 R N -0.527 119.996 120.500 0.040 0.000 2.148 427 R HA -0.138 4.201 4.340 -0.001 0.000 0.227 427 R C 1.826 177.992 176.300 -0.224 0.000 1.103 427 R CA 1.702 57.749 56.100 -0.088 0.000 0.983 427 R CB -0.797 29.447 30.300 -0.094 0.000 0.874 427 R HN 0.435 nan 8.270 nan 0.000 0.451 428 L N 0.284 121.302 121.223 -0.342 0.000 2.145 428 L HA 0.033 4.372 4.340 -0.001 0.000 0.201 428 L C 1.620 178.078 176.870 -0.687 0.000 1.075 428 L CA 1.471 55.977 54.840 -0.557 0.000 0.773 428 L CB -0.050 41.551 42.059 -0.763 0.000 0.936 428 L HN 0.191 nan 8.230 nan 0.000 0.451 429 H N -0.470 118.404 119.070 -0.327 0.000 2.705 429 H HA 0.318 4.873 4.556 -0.001 0.000 0.269 429 H C 0.151 175.315 175.328 -0.273 0.000 0.998 429 H CA -0.023 55.847 56.048 -0.297 0.000 1.193 429 H CB 0.546 30.046 29.762 -0.436 0.000 1.485 429 H HN 0.144 nan 8.280 nan 0.000 0.521 430 R N 0.379 120.647 120.500 -0.387 0.000 3.774 430 R HA -0.157 4.182 4.340 -0.001 0.000 0.320 430 R C -0.139 175.777 176.300 -0.640 0.000 1.175 430 R CA 0.824 56.533 56.100 -0.652 0.000 0.849 430 R CB -2.208 27.910 30.300 -0.302 0.000 1.365 430 R HN 0.694 nan 8.270 nan 0.000 0.502 431 R N -1.849 118.408 120.500 -0.405 0.000 2.709 431 R HA 0.567 4.906 4.340 -0.001 0.000 0.270 431 R C -1.065 175.541 176.300 0.510 0.000 1.038 431 R CA -1.105 55.081 56.100 0.143 0.000 0.872 431 R CB 0.959 31.357 30.300 0.164 0.000 1.259 431 R HN -0.037 nan 8.270 nan 0.000 0.473 432 L N 1.806 123.309 121.223 0.466 0.000 2.360 432 L HA 0.777 5.117 4.340 -0.001 0.000 0.271 432 L C -0.087 176.823 176.870 0.067 0.000 1.057 432 L CA -1.235 53.772 54.840 0.279 0.000 0.803 432 L CB 1.917 44.122 42.059 0.243 0.000 1.207 432 L HN 0.642 nan 8.230 nan 0.000 0.445 433 V N -0.330 119.490 119.914 -0.157 0.000 3.007 433 V HA 0.576 4.695 4.120 -0.001 0.000 0.311 433 V C -2.687 173.339 176.094 -0.113 0.000 1.120 433 V CA -2.713 59.489 62.300 -0.163 0.000 0.980 433 V CB 1.520 33.169 31.823 -0.290 0.000 1.033 433 V HN 0.506 nan 8.190 nan 0.000 0.429 434 P HA 0.219 nan 4.420 nan 0.000 0.260 434 P C -0.269 177.141 177.300 0.183 0.000 1.172 434 P CA 0.815 63.955 63.100 0.066 0.000 0.760 434 P CB 0.092 31.812 31.700 0.034 0.000 0.773 435 T N 3.362 118.023 114.554 0.178 0.000 2.887 435 T HA 0.421 4.770 4.350 -0.001 0.000 0.288 435 T C -1.163 173.557 174.700 0.034 0.000 1.021 435 T CA -0.311 61.867 62.100 0.131 0.000 1.000 435 T CB 0.981 69.866 68.868 0.028 0.000 1.034 435 T HN 0.230 nan 8.240 nan 0.000 0.467 436 Y N 1.587 121.731 120.300 -0.261 0.000 2.393 436 Y HA 0.592 5.141 4.550 -0.001 0.000 0.341 436 Y C -0.299 175.481 175.900 -0.200 0.000 0.988 436 Y CA -0.723 57.051 58.100 -0.543 0.000 1.078 436 Y CB 1.242 38.991 38.460 -1.184 0.000 1.203 436 Y HN 0.661 nan 8.280 nan 0.000 0.453 437 E N 4.058 123.989 120.200 -0.448 0.000 2.260 437 E HA 0.323 4.672 4.350 -0.001 0.000 0.266 437 E C -1.384 175.000 176.600 -0.361 0.000 0.887 437 E CA -0.746 55.566 56.400 -0.147 0.000 0.777 437 E CB 1.421 31.117 29.700 -0.008 0.000 1.205 437 E HN 0.717 nan 8.360 nan 0.000 0.414 438 S N 2.172 117.849 115.700 -0.039 0.000 2.525 438 S HA 0.313 4.782 4.470 -0.001 0.000 0.285 438 S C -0.260 174.342 174.600 0.003 0.000 1.283 438 S CA -0.062 58.159 58.200 0.036 0.000 1.072 438 S CB 0.865 64.200 63.200 0.226 0.000 0.867 438 S HN 0.522 nan 8.310 nan 0.000 0.492 439 A N 3.256 126.065 122.820 -0.019 0.000 2.311 439 A HA 0.605 4.924 4.320 -0.001 0.000 0.306 439 A C 0.203 177.805 177.584 0.029 0.000 1.189 439 A CA -0.660 51.389 52.037 0.020 0.000 0.791 439 A CB 0.981 19.997 19.000 0.026 0.000 1.172 439 A HN 0.643 nan 8.150 nan 0.000 0.481 440 S N 2.073 117.795 115.700 0.036 0.000 2.533 440 S HA 0.330 4.800 4.470 -0.001 0.000 0.282 440 S C 0.616 175.231 174.600 0.024 0.000 1.304 440 S CA -0.147 58.066 58.200 0.022 0.000 1.063 440 S CB -0.315 62.898 63.200 0.022 0.000 0.881 440 S HN 0.901 nan 8.310 nan 0.000 0.493 441 I N 2.698 123.277 120.570 0.015 0.000 3.654 441 I HA 0.413 4.582 4.170 -0.001 0.000 0.337 441 I C 1.109 177.260 176.117 0.056 0.000 1.568 441 I CA -0.570 60.789 61.300 0.098 0.000 1.115 441 I CB 0.026 38.113 38.000 0.145 0.000 1.300 441 I HN 0.484 nan 8.210 nan 0.000 0.471 442 R N 1.249 121.736 120.500 -0.022 0.000 2.357 442 R HA 0.074 4.413 4.340 -0.001 0.000 0.202 442 R C 1.708 177.936 176.300 -0.120 0.000 1.047 442 R CA 0.509 56.586 56.100 -0.038 0.000 1.034 442 R CB -0.187 30.104 30.300 -0.014 0.000 0.875 442 R HN 0.489 nan 8.270 nan 0.000 0.473 443 R N -0.463 119.863 120.500 -0.290 0.000 2.235 443 R HA -0.008 4.331 4.340 -0.001 0.000 0.213 443 R C -0.136 175.729 176.300 -0.725 0.000 1.059 443 R CA 0.709 56.472 56.100 -0.563 0.000 0.997 443 R CB 0.152 29.942 30.300 -0.850 0.000 0.884 443 R HN 0.031 nan 8.270 nan 0.000 0.462 444 F N 0.178 120.113 119.950 -0.024 0.000 2.523 444 F HA 0.267 4.793 4.527 -0.001 0.000 0.329 444 F C 0.453 176.228 175.800 -0.040 0.000 1.061 444 F CA -1.335 56.647 58.000 -0.030 0.000 0.967 444 F CB 0.907 39.879 39.000 -0.047 0.000 1.218 444 F HN -0.278 nan 8.300 nan 0.000 0.480 445 Q N 1.494 121.389 119.800 0.158 0.000 2.283 445 Q HA -0.035 4.304 4.340 -0.001 0.000 0.301 445 Q C 0.130 176.149 176.000 0.033 0.000 1.063 445 Q CA 0.731 56.577 55.803 0.072 0.000 0.952 445 Q CB 0.043 28.817 28.738 0.060 0.000 1.166 445 Q HN 0.677 nan 8.270 nan 0.000 0.381 446 E N -0.559 119.655 120.200 0.023 0.000 3.065 446 E HA -0.226 4.123 4.350 -0.001 0.000 0.277 446 E C 0.189 176.756 176.600 -0.055 0.000 1.008 446 E CA 0.295 56.693 56.400 -0.002 0.000 0.864 446 E CB -1.731 27.959 29.700 -0.017 0.000 1.439 446 E HN 0.813 nan 8.360 nan 0.000 0.445 447 G N 0.376 109.155 108.800 -0.034 0.000 2.272 447 G HA2 0.097 4.056 3.960 -0.001 0.000 0.247 447 G HA3 0.097 4.056 3.960 -0.001 0.000 0.247 447 G C 0.799 175.610 174.900 -0.149 0.000 1.272 447 G CA -0.148 44.904 45.100 -0.080 0.000 0.921 447 G HN -0.030 nan 8.290 nan 0.000 0.495 448 R N 1.068 121.368 120.500 -0.333 0.000 1.747 448 R HA 0.501 4.840 4.340 -0.001 0.000 0.136 448 R C 0.711 176.812 176.300 -0.331 0.000 2.116 448 R CA 0.760 56.602 56.100 -0.430 0.000 1.739 448 R CB -0.541 29.134 30.300 -1.042 0.000 1.333 448 R HN 0.827 nan 8.270 nan 0.000 0.480 449 V N -1.190 118.428 119.914 -0.493 0.000 3.178 449 V HA 0.591 4.710 4.120 -0.001 0.000 0.302 449 V C -1.126 174.879 176.094 -0.149 0.000 1.262 449 V CA -0.962 61.236 62.300 -0.169 0.000 1.030 449 V CB 2.640 34.502 31.823 0.065 0.000 1.074 449 V HN 0.321 nan 8.190 nan 0.000 0.438 450 D N 1.015 121.399 120.400 -0.026 0.000 2.689 450 D HA 0.507 5.146 4.640 -0.001 0.000 0.255 450 D C -1.305 174.978 176.300 -0.028 0.000 1.113 450 D CA -0.481 53.538 54.000 0.032 0.000 1.115 450 D CB 2.379 43.207 40.800 0.047 0.000 1.334 450 D HN 0.855 nan 8.370 nan 0.000 0.621 451 N N 0.134 118.813 118.700 -0.034 0.000 2.362 451 N HA 0.403 5.142 4.740 -0.001 0.000 0.298 451 N C -1.157 174.315 175.510 -0.064 0.000 1.048 451 N CA -0.375 52.501 53.050 -0.290 0.000 0.858 451 N CB 0.943 39.233 38.487 -0.328 0.000 1.218 451 N HN 0.301 nan 8.380 nan 0.000 0.488 452 I N 3.143 123.597 120.570 -0.194 0.000 2.307 452 I HA 0.293 4.462 4.170 -0.001 0.000 0.289 452 I C 0.366 176.258 176.117 -0.374 0.000 1.021 452 I CA -0.579 60.669 61.300 -0.088 0.000 1.224 452 I CB 0.778 38.775 38.000 -0.005 0.000 1.376 452 I HN 0.302 nan 8.210 nan 0.000 0.470 453 R N 4.414 124.451 120.500 -0.772 0.000 2.419 453 R HA 0.182 4.521 4.340 -0.001 0.000 0.305 453 R C 0.923 176.937 176.300 -0.476 0.000 1.242 453 R CA -0.165 55.618 56.100 -0.528 0.000 1.105 453 R CB 0.452 30.527 30.300 -0.375 0.000 1.116 453 R HN 0.603 nan 8.270 nan 0.000 0.523 454 S N 1.607 117.168 115.700 -0.231 0.000 2.474 454 S HA -0.096 4.373 4.470 -0.001 0.000 0.235 454 S C 1.258 175.835 174.600 -0.039 0.000 0.997 454 S CA 0.728 58.861 58.200 -0.112 0.000 0.949 454 S CB 0.283 63.467 63.200 -0.027 0.000 0.766 454 S HN 0.657 nan 8.310 nan 0.000 0.517 455 A N 3.088 125.903 122.820 -0.010 0.000 3.077 455 A HA 0.364 4.684 4.320 -0.001 0.000 0.255 455 A C 0.968 178.675 177.584 0.204 0.000 1.728 455 A CA -0.451 51.636 52.037 0.083 0.000 1.383 455 A CB -0.981 18.059 19.000 0.067 0.000 1.097 455 A HN 0.420 nan 8.150 nan 0.000 0.634 456 T N -2.396 112.208 114.554 0.084 0.000 2.788 456 T HA 0.348 4.697 4.350 -0.001 0.000 0.287 456 T C -1.695 172.861 174.700 -0.239 0.000 1.007 456 T CA -1.270 60.847 62.100 0.028 0.000 1.005 456 T CB 0.695 69.561 68.868 -0.003 0.000 1.012 456 T HN 0.131 nan 8.240 nan 0.000 0.530 457 P HA 0.022 nan 4.420 nan 0.000 0.217 457 P C 1.195 178.315 177.300 -0.301 0.000 1.151 457 P CA 0.821 63.509 63.100 -0.687 0.000 0.828 457 P CB 0.039 31.488 31.700 -0.418 0.000 0.788 458 E N -0.218 119.885 120.200 -0.162 0.000 2.150 458 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 458 E C 2.104 178.677 176.600 -0.045 0.000 0.985 458 E CA 1.352 57.702 56.400 -0.083 0.000 0.814 458 E CB -1.016 28.652 29.700 -0.053 0.000 0.752 458 E HN 0.147 nan 8.360 nan 0.000 0.466 459 A N 0.549 123.342 122.820 -0.046 0.000 1.930 459 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 459 A C 2.104 179.681 177.584 -0.012 0.000 1.175 459 A CA 0.992 53.043 52.037 0.023 0.000 0.627 459 A CB -0.536 18.482 19.000 0.029 0.000 0.815 459 A HN 0.268 nan 8.150 nan 0.000 0.443 460 L N -0.081 121.082 121.223 -0.100 0.000 2.017 460 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 460 L C 2.669 179.420 176.870 -0.198 0.000 1.073 460 L CA 2.254 56.994 54.840 -0.167 0.000 0.745 460 L CB -0.812 41.168 42.059 -0.131 0.000 0.894 460 L HN 0.331 nan 8.230 nan 0.000 0.432 461 A N -1.088 121.658 122.820 -0.124 0.000 1.940 461 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 461 A C 2.242 179.794 177.584 -0.054 0.000 1.176 461 A CA 1.912 53.896 52.037 -0.088 0.000 0.631 461 A CB -1.117 17.852 19.000 -0.053 0.000 0.814 461 A HN 0.579 nan 8.150 nan 0.000 0.446 462 F N 1.191 121.044 119.950 -0.162 0.000 2.128 462 F HA -0.121 4.405 4.527 -0.001 0.000 0.295 462 F C 2.303 177.993 175.800 -0.182 0.000 1.100 462 F CA 1.964 59.876 58.000 -0.146 0.000 1.260 462 F CB -0.560 38.362 39.000 -0.129 0.000 1.009 462 F HN 0.115 nan 8.300 nan 0.000 0.476 463 V N -0.569 119.059 119.914 -0.477 0.000 2.490 463 V HA -0.173 3.946 4.120 -0.001 0.000 0.250 463 V C 2.364 178.078 176.094 -0.633 0.000 1.061 463 V CA 1.894 63.802 62.300 -0.654 0.000 1.064 463 V CB -1.046 30.446 31.823 -0.552 0.000 0.670 463 V HN 0.346 nan 8.190 nan 0.000 0.461 464 R N 0.760 120.921 120.500 -0.565 0.000 2.090 464 R HA 0.126 4.465 4.340 -0.001 0.000 0.228 464 R C 2.579 178.736 176.300 -0.239 0.000 1.110 464 R CA 1.388 57.272 56.100 -0.360 0.000 0.973 464 R CB -0.615 29.536 30.300 -0.248 0.000 0.869 464 R HN 0.614 nan 8.270 nan 0.000 0.440 465 A N 0.556 123.227 122.820 -0.248 0.000 1.898 465 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 465 A C 2.268 179.718 177.584 -0.224 0.000 1.181 465 A CA 1.242 53.170 52.037 -0.181 0.000 0.620 465 A CB -0.382 18.547 19.000 -0.118 0.000 0.819 465 A HN 0.111 nan 8.150 nan 0.000 0.442 466 V N 0.332 120.023 119.914 -0.372 0.000 2.453 466 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 466 V C 2.826 178.756 176.094 -0.274 0.000 1.048 466 V CA 2.310 64.400 62.300 -0.349 0.000 1.049 466 V CB -0.942 30.543 31.823 -0.562 0.000 0.672 466 V HN 0.844 nan 8.190 nan 0.000 0.457 467 T N -3.104 111.293 114.554 -0.262 0.000 3.037 467 T HA 0.017 4.366 4.350 -0.001 0.000 0.252 467 T C 0.839 175.316 174.700 -0.372 0.000 1.073 467 T CA 0.328 62.270 62.100 -0.264 0.000 1.091 467 T CB -0.088 68.755 68.868 -0.042 0.000 0.935 467 T HN 0.331 nan 8.240 nan 0.000 0.488 468 D N 1.736 121.997 120.400 -0.232 0.000 2.470 468 D HA 0.091 4.730 4.640 -0.001 0.000 0.226 468 D C 1.069 177.280 176.300 -0.149 0.000 1.196 468 D CA -0.402 53.499 54.000 -0.165 0.000 0.979 468 D CB -0.044 40.716 40.800 -0.067 0.000 1.059 468 D HN 0.271 nan 8.370 nan 0.000 0.515 469 H N 2.760 121.822 119.070 -0.013 0.000 2.319 469 H HA -0.135 4.421 4.556 -0.001 0.000 0.297 469 H C 1.485 176.806 175.328 -0.011 0.000 1.097 469 H CA 1.153 57.191 56.048 -0.016 0.000 1.285 469 H CB 0.197 29.950 29.762 -0.015 0.000 1.368 469 H HN 0.460 nan 8.280 nan 0.000 0.495 470 K N 0.438 120.905 120.400 0.113 0.000 2.281 470 K HA -0.054 4.266 4.320 -0.001 0.000 0.203 470 K C 2.286 178.906 176.600 0.033 0.000 1.046 470 K CA 0.825 57.148 56.287 0.060 0.000 0.938 470 K CB 0.029 32.556 32.500 0.044 0.000 0.737 470 K HN 0.205 nan 8.250 nan 0.000 0.458 471 A N 1.093 123.923 122.820 0.018 0.000 1.970 471 A HA 0.185 4.504 4.320 -0.001 0.000 0.216 471 A C 1.338 178.928 177.584 0.009 0.000 1.170 471 A CA 0.925 52.965 52.037 0.004 0.000 0.645 471 A CB -0.251 18.739 19.000 -0.016 0.000 0.816 471 A HN 0.291 nan 8.150 nan 0.000 0.447 472 A N -1.279 121.554 122.820 0.020 0.000 2.745 472 A HA -0.095 4.224 4.320 -0.001 0.000 0.296 472 A C 0.373 177.964 177.584 0.012 0.000 1.500 472 A CA 0.574 52.626 52.037 0.025 0.000 0.766 472 A CB -2.591 16.423 19.000 0.024 0.000 1.030 472 A HN 0.933 nan 8.150 nan 0.000 0.489 473 V N 0.911 120.825 119.914 -0.000 0.000 2.540 473 V HA 0.199 4.318 4.120 -0.001 0.000 0.297 473 V C -1.319 174.780 176.094 0.008 0.000 1.024 473 V CA -0.254 62.044 62.300 -0.002 0.000 1.105 473 V CB 0.345 32.158 31.823 -0.017 0.000 0.938 473 V HN 0.541 nan 8.190 nan 0.000 0.482 474 P HA 0.081 nan 4.420 nan 0.000 0.266 474 P C 0.646 177.960 177.300 0.024 0.000 1.195 474 P CA 0.189 63.299 63.100 0.017 0.000 0.768 474 P CB 0.692 32.401 31.700 0.016 0.000 0.838 475 A N 3.033 125.870 122.820 0.028 0.000 1.986 475 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 475 A C 2.152 179.762 177.584 0.043 0.000 1.171 475 A CA 2.302 54.362 52.037 0.038 0.000 0.640 475 A CB -1.595 17.428 19.000 0.039 0.000 0.811 475 A HN 0.623 nan 8.150 nan 0.000 0.451 476 S N -0.289 115.431 115.700 0.033 0.000 2.382 476 S HA -0.192 4.278 4.470 -0.001 0.000 0.228 476 S C 1.785 176.404 174.600 0.032 0.000 1.027 476 S CA 1.519 59.737 58.200 0.030 0.000 0.991 476 S CB -0.299 62.914 63.200 0.022 0.000 0.823 476 S HN 0.557 nan 8.310 nan 0.000 0.469 477 E N 1.921 122.139 120.200 0.031 0.000 2.072 477 E HA -0.006 4.343 4.350 -0.001 0.000 0.190 477 E C 1.944 178.578 176.600 0.056 0.000 0.982 477 E CA 1.292 57.711 56.400 0.032 0.000 0.803 477 E CB -0.347 29.366 29.700 0.022 0.000 0.755 477 E HN 0.630 nan 8.360 nan 0.000 0.453 478 K N -0.096 120.346 120.400 0.072 0.000 2.103 478 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 478 K C 2.109 178.816 176.600 0.177 0.000 1.048 478 K CA 1.300 57.671 56.287 0.140 0.000 0.930 478 K CB -0.311 32.255 32.500 0.111 0.000 0.716 478 K HN 0.148 nan 8.250 nan 0.000 0.444 479 L N 1.473 122.754 121.223 0.097 0.000 2.046 479 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 479 L C 1.858 178.730 176.870 0.004 0.000 1.077 479 L CA 1.521 56.391 54.840 0.050 0.000 0.747 479 L CB -0.359 41.724 42.059 0.039 0.000 0.896 479 L HN 0.128 nan 8.230 nan 0.000 0.432 480 L N -1.201 120.031 121.223 0.015 0.000 2.017 480 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 480 L C 2.549 179.408 176.870 -0.019 0.000 1.073 480 L CA 1.479 56.316 54.840 -0.004 0.000 0.745 480 L CB -0.599 41.464 42.059 0.006 0.000 0.894 480 L HN 0.307 nan 8.230 nan 0.000 0.432 481 L N -0.601 120.638 121.223 0.026 0.000 2.083 481 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 481 L C 2.524 179.322 176.870 -0.120 0.000 1.083 481 L CA 1.000 55.864 54.840 0.040 0.000 0.752 481 L CB -0.382 41.782 42.059 0.175 0.000 0.899 481 L HN 0.317 nan 8.230 nan 0.000 0.433 482 L N -0.310 120.751 121.223 -0.270 0.000 2.017 482 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 482 L C 2.727 179.322 176.870 -0.458 0.000 1.073 482 L CA 1.432 55.775 54.840 -0.829 0.000 0.745 482 L CB -0.204 41.470 42.059 -0.642 0.000 0.894 482 L HN 0.177 nan 8.230 nan 0.000 0.432 483 K N -0.129 120.133 120.400 -0.230 0.000 2.097 483 K HA -0.214 4.106 4.320 -0.001 0.000 0.206 483 K C 1.735 178.265 176.600 -0.117 0.000 1.049 483 K CA 1.629 57.832 56.287 -0.140 0.000 0.933 483 K CB -0.532 31.924 32.500 -0.073 0.000 0.717 483 K HN 0.407 nan 8.250 nan 0.000 0.442 484 D N 0.418 120.752 120.400 -0.110 0.000 2.149 484 D HA -0.041 4.598 4.640 -0.001 0.000 0.201 484 D C 1.649 177.896 176.300 -0.089 0.000 0.972 484 D CA 1.128 55.084 54.000 -0.073 0.000 0.835 484 D CB 0.126 40.896 40.800 -0.049 0.000 0.966 484 D HN 0.135 nan 8.370 nan 0.000 0.476 485 A N 0.244 122.971 122.820 -0.154 0.000 1.877 485 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 485 A C 2.390 179.899 177.584 -0.125 0.000 1.186 485 A CA 1.074 53.020 52.037 -0.152 0.000 0.620 485 A CB -0.775 18.063 19.000 -0.269 0.000 0.822 485 A HN 0.344 nan 8.150 nan 0.000 0.443 486 I N -1.084 119.389 120.570 -0.161 0.000 2.361 486 I HA -0.224 3.945 4.170 -0.001 0.000 0.251 486 I C 2.720 178.824 176.117 -0.022 0.000 1.133 486 I CA 1.374 62.624 61.300 -0.084 0.000 1.413 486 I CB -0.307 37.649 38.000 -0.073 0.000 1.073 486 I HN 0.380 nan 8.210 nan 0.000 0.424 487 R N 1.280 121.763 120.500 -0.029 0.000 2.075 487 R HA -0.162 4.177 4.340 -0.001 0.000 0.232 487 R C 2.338 178.651 176.300 0.021 0.000 1.126 487 R CA 1.604 57.704 56.100 -0.001 0.000 0.963 487 R CB -0.177 30.117 30.300 -0.009 0.000 0.858 487 R HN 0.336 nan 8.270 nan 0.000 0.435 488 A N 0.508 123.337 122.820 0.015 0.000 1.930 488 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 488 A C 2.024 179.662 177.584 0.091 0.000 1.175 488 A CA 1.388 53.455 52.037 0.050 0.000 0.627 488 A CB -0.435 18.583 19.000 0.031 0.000 0.815 488 A HN 0.421 nan 8.150 nan 0.000 0.443 489 Q N -0.171 119.664 119.800 0.059 0.000 2.050 489 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 489 Q C 1.988 178.058 176.000 0.116 0.000 0.980 489 Q CA 2.692 58.542 55.803 0.077 0.000 0.840 489 Q CB -0.954 27.808 28.738 0.039 0.000 0.898 489 Q HN 0.518 nan 8.270 nan 0.000 0.424 490 T N 0.425 115.032 114.554 0.088 0.000 2.746 490 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 490 T C 1.715 176.473 174.700 0.096 0.000 1.039 490 T CA 1.365 63.517 62.100 0.088 0.000 1.142 490 T CB -0.632 68.273 68.868 0.063 0.000 0.866 490 T HN 0.481 nan 8.240 nan 0.000 0.444 491 A N 0.209 123.084 122.820 0.092 0.000 1.902 491 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 491 A C 2.091 179.730 177.584 0.093 0.000 1.181 491 A CA 1.472 53.556 52.037 0.078 0.000 0.623 491 A CB -1.039 18.000 19.000 0.066 0.000 0.818 491 A HN 0.615 nan 8.150 nan 0.000 0.443 492 Y N 0.811 121.138 120.300 0.045 0.000 2.242 492 Y HA -0.159 4.390 4.550 -0.001 0.000 0.291 492 Y C 2.772 178.702 175.900 0.051 0.000 1.137 492 Y CA 2.019 60.151 58.100 0.053 0.000 1.181 492 Y CB -0.180 38.311 38.460 0.053 0.000 0.989 492 Y HN 0.346 nan 8.280 nan 0.000 0.527 493 T N -0.694 114.010 114.554 0.251 0.000 2.674 493 T HA -0.199 4.150 4.350 -0.001 0.000 0.265 493 T C 1.986 176.754 174.700 0.113 0.000 1.039 493 T CA 1.730 63.937 62.100 0.177 0.000 1.150 493 T CB -0.741 68.208 68.868 0.136 0.000 0.864 493 T HN 0.137 nan 8.240 nan 0.000 0.427 494 V N 1.666 121.630 119.914 0.083 0.000 2.392 494 V HA -0.209 3.910 4.120 -0.001 0.000 0.249 494 V C 2.420 178.538 176.094 0.040 0.000 1.059 494 V CA 1.892 64.227 62.300 0.058 0.000 1.051 494 V CB -0.629 31.221 31.823 0.045 0.000 0.658 494 V HN 0.485 nan 8.190 nan 0.000 0.455 495 M N -0.036 119.562 119.600 -0.003 0.000 2.086 495 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 495 M C 2.165 178.451 176.300 -0.024 0.000 1.067 495 M CA 2.294 57.557 55.300 -0.063 0.000 1.116 495 M CB -0.279 32.182 32.600 -0.230 0.000 1.348 495 M HN 0.322 nan 8.290 nan 0.000 0.407 496 A N 1.134 123.959 122.820 0.008 0.000 1.877 496 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 496 A C 1.997 179.642 177.584 0.101 0.000 1.186 496 A CA 1.792 53.875 52.037 0.076 0.000 0.620 496 A CB -1.284 17.808 19.000 0.153 0.000 0.822 496 A HN 0.805 nan 8.150 nan 0.000 0.443 497 I N -1.709 118.923 120.570 0.104 0.000 2.916 497 I HA -0.069 4.100 4.170 -0.001 0.000 0.267 497 I C 1.493 177.726 176.117 0.192 0.000 1.263 497 I CA 1.735 63.107 61.300 0.119 0.000 1.471 497 I CB -0.660 37.387 38.000 0.078 0.000 1.089 497 I HN 0.318 nan 8.210 nan 0.000 0.468 498 T N -2.436 112.234 114.554 0.193 0.000 3.176 498 T HA 0.479 4.828 4.350 -0.001 0.000 0.263 498 T C 1.375 176.235 174.700 0.267 0.000 1.021 498 T CA 0.145 62.420 62.100 0.292 0.000 0.905 498 T CB 0.171 69.142 68.868 0.172 0.000 1.057 498 T HN 0.645 nan 8.240 nan 0.000 0.558 499 G N 2.039 110.944 108.800 0.175 0.000 2.179 499 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.257 499 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.257 499 G C 0.643 175.541 174.900 -0.003 0.000 1.010 499 G CA 0.430 45.524 45.100 -0.011 0.000 0.736 499 G HN 0.470 nan 8.290 nan 0.000 0.513 500 M N -0.241 119.374 119.600 0.024 0.000 2.356 500 M HA 0.465 4.944 4.480 -0.001 0.000 0.262 500 M C 1.662 177.966 176.300 0.006 0.000 1.097 500 M CA 0.169 55.474 55.300 0.008 0.000 0.991 500 M CB -0.280 32.319 32.600 -0.001 0.000 1.450 500 M HN 0.518 nan 8.290 nan 0.000 0.495 501 A N 1.359 124.193 122.820 0.024 0.000 2.311 501 A HA 0.432 4.751 4.320 -0.001 0.000 0.272 501 A C 1.452 179.134 177.584 0.163 0.000 1.438 501 A CA 0.064 52.117 52.037 0.027 0.000 0.819 501 A CB 0.208 19.267 19.000 0.098 0.000 1.336 501 A HN 0.480 nan 8.150 nan 0.000 0.528 502 I N -4.979 115.739 120.570 0.247 0.000 3.971 502 I HA 0.192 4.362 4.170 -0.001 0.000 0.303 502 I C 1.045 177.360 176.117 0.330 0.000 1.233 502 I CA 0.808 62.292 61.300 0.306 0.000 1.346 502 I CB -0.352 37.833 38.000 0.307 0.000 1.273 502 I HN 0.430 nan 8.210 nan 0.000 0.448 503 D N 2.767 123.359 120.400 0.321 0.000 2.127 503 D HA -0.216 4.423 4.640 -0.001 0.000 0.190 503 D C 1.838 178.348 176.300 0.351 0.000 1.000 503 D CA 2.000 56.195 54.000 0.326 0.000 0.839 503 D CB -0.314 40.679 40.800 0.321 0.000 0.955 503 D HN 0.350 nan 8.370 nan 0.000 0.446 504 N N -0.501 118.410 118.700 0.353 0.000 2.149 504 N HA -0.172 4.567 4.740 -0.001 0.000 0.188 504 N C 1.658 177.535 175.510 0.612 0.000 1.019 504 N CA 0.860 54.148 53.050 0.397 0.000 0.857 504 N CB -0.510 38.103 38.487 0.210 0.000 0.997 504 N HN 0.494 nan 8.380 nan 0.000 0.426 505 H N 0.601 119.950 119.070 0.465 0.000 2.290 505 H HA -0.004 4.551 4.556 -0.001 0.000 0.298 505 H C 2.061 177.540 175.328 0.252 0.000 1.087 505 H CA 1.124 57.381 56.048 0.349 0.000 1.291 505 H CB 0.007 29.895 29.762 0.210 0.000 1.369 505 H HN 0.076 nan 8.280 nan 0.000 0.492 506 L N 0.261 121.639 121.223 0.258 0.000 2.083 506 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 506 L C 2.674 179.585 176.870 0.070 0.000 1.083 506 L CA 0.476 55.404 54.840 0.148 0.000 0.752 506 L CB -0.286 41.910 42.059 0.228 0.000 0.899 506 L HN 0.330 nan 8.230 nan 0.000 0.433 507 L N 0.270 121.603 121.223 0.183 0.000 1.994 507 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 507 L C 2.665 179.544 176.870 0.014 0.000 1.071 507 L CA 2.121 57.018 54.840 0.096 0.000 0.745 507 L CB -0.782 41.422 42.059 0.240 0.000 0.892 507 L HN 0.138 nan 8.230 nan 0.000 0.431 508 A N -0.350 122.648 122.820 0.296 0.000 1.883 508 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 508 A C 2.280 179.893 177.584 0.047 0.000 1.186 508 A CA 2.161 54.413 52.037 0.358 0.000 0.624 508 A CB -1.057 18.351 19.000 0.680 0.000 0.822 508 A HN 0.530 nan 8.150 nan 0.000 0.444 509 L N -1.200 120.055 121.223 0.053 0.000 2.042 509 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 509 L C 2.832 179.590 176.870 -0.186 0.000 1.076 509 L CA 1.906 56.770 54.840 0.040 0.000 0.749 509 L CB -0.546 41.638 42.059 0.208 0.000 0.893 509 L HN 0.471 nan 8.230 nan 0.000 0.432 510 R N 0.100 120.215 120.500 -0.642 0.000 2.083 510 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 510 R C 2.188 178.155 176.300 -0.556 0.000 1.137 510 R CA 1.513 56.951 56.100 -1.103 0.000 0.951 510 R CB 0.012 29.500 30.300 -1.354 0.000 0.851 510 R HN 0.288 nan 8.270 nan 0.000 0.434 511 E N 0.543 120.423 120.200 -0.534 0.000 2.208 511 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 511 E C 2.067 178.453 176.600 -0.358 0.000 0.988 511 E CA 0.627 56.696 56.400 -0.552 0.000 0.828 511 E CB -0.055 28.986 29.700 -1.098 0.000 0.763 511 E HN 0.419 nan 8.360 nan 0.000 0.478 512 L N 0.367 121.445 121.223 -0.242 0.000 2.056 512 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 512 L C 2.461 179.314 176.870 -0.027 0.000 1.078 512 L CA 1.088 55.903 54.840 -0.042 0.000 0.749 512 L CB -0.455 41.629 42.059 0.042 0.000 0.901 512 L HN 0.057 nan 8.230 nan 0.000 0.433 513 A N 0.203 123.001 122.820 -0.036 0.000 1.877 513 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 513 A C 2.385 179.959 177.584 -0.016 0.000 1.186 513 A CA 1.804 53.851 52.037 0.016 0.000 0.620 513 A CB -0.615 18.439 19.000 0.090 0.000 0.822 513 A HN 0.356 nan 8.150 nan 0.000 0.443 514 R N -0.219 120.236 120.500 -0.075 0.000 2.117 514 R HA -0.172 4.167 4.340 -0.001 0.000 0.243 514 R C 2.155 178.435 176.300 -0.033 0.000 1.143 514 R CA 1.674 57.734 56.100 -0.066 0.000 0.968 514 R CB -0.434 29.796 30.300 -0.117 0.000 0.863 514 R HN 0.441 nan 8.270 nan 0.000 0.444 515 A N 0.495 123.299 122.820 -0.027 0.000 1.933 515 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 515 A C 2.165 179.757 177.584 0.012 0.000 1.175 515 A CA 1.523 53.564 52.037 0.006 0.000 0.628 515 A CB -0.358 18.660 19.000 0.030 0.000 0.814 515 A HN 0.389 nan 8.150 nan 0.000 0.444 516 M N -2.157 117.450 119.600 0.012 0.000 2.132 516 M HA -0.018 4.461 4.480 -0.001 0.000 0.263 516 M C 0.749 177.057 176.300 0.013 0.000 1.065 516 M CA 0.861 56.170 55.300 0.016 0.000 1.122 516 M CB 0.015 32.627 32.600 0.021 0.000 1.365 516 M HN 0.500 nan 8.290 nan 0.000 0.411 517 C N -0.578 118.728 119.300 0.011 0.000 2.871 517 C HA 0.597 5.056 4.460 -0.001 0.000 0.378 517 C C 1.271 176.263 174.990 0.004 0.000 1.052 517 C CA -0.856 58.167 59.018 0.009 0.000 1.250 517 C CB 0.764 28.513 27.740 0.014 0.000 1.689 517 C HN 0.533 nan 8.230 nan 0.000 0.506 518 A N 3.426 126.247 122.820 0.001 0.000 2.139 518 A HA 0.253 4.573 4.320 -0.001 0.000 0.221 518 A C 1.299 178.881 177.584 -0.003 0.000 1.159 518 A CA 1.669 53.703 52.037 -0.005 0.000 0.662 518 A CB -0.320 18.678 19.000 -0.003 0.000 0.796 518 A HN 1.926 nan 8.150 nan 0.000 0.463 519 A N 0.493 123.316 122.820 0.005 0.000 2.415 519 A HA 0.559 4.878 4.320 -0.001 0.000 0.309 519 A C 0.230 177.825 177.584 0.019 0.000 1.356 519 A CA -0.526 51.517 52.037 0.009 0.000 0.998 519 A CB -0.320 18.686 19.000 0.010 0.000 1.145 519 A HN 0.412 nan 8.150 nan 0.000 0.545 520 L N 3.037 124.272 121.223 0.021 0.000 2.482 520 L HA 0.157 4.496 4.340 -0.001 0.000 0.273 520 L C -1.743 175.164 176.870 0.062 0.000 1.228 520 L CA -1.341 53.530 54.840 0.052 0.000 0.827 520 L CB 0.050 42.139 42.059 0.051 0.000 1.099 520 L HN 0.442 nan 8.230 nan 0.000 0.494 521 P HA 0.072 nan 4.420 nan 0.000 0.272 521 P C 0.301 177.557 177.300 -0.073 0.000 1.230 521 P CA -0.389 62.730 63.100 0.033 0.000 0.788 521 P CB 0.573 32.324 31.700 0.085 0.000 0.949 522 E N 0.143 120.292 120.200 -0.084 0.000 2.086 522 E HA -0.299 4.050 4.350 -0.001 0.000 0.200 522 E C 1.669 178.125 176.600 -0.239 0.000 1.012 522 E CA 1.571 57.904 56.400 -0.111 0.000 0.812 522 E CB -0.353 29.300 29.700 -0.078 0.000 0.743 522 E HN 0.363 nan 8.360 nan 0.000 0.453 523 M N -0.011 119.319 119.600 -0.450 0.000 2.152 523 M HA -0.251 4.228 4.480 -0.001 0.000 0.251 523 M C 1.438 177.140 176.300 -0.997 0.000 1.080 523 M CA 1.874 56.632 55.300 -0.903 0.000 1.079 523 M CB -0.384 31.152 32.600 -1.773 0.000 1.317 523 M HN 0.128 nan 8.290 nan 0.000 0.404 524 F N -2.039 117.604 119.950 -0.512 0.000 2.749 524 F HA 0.141 4.668 4.527 -0.001 0.000 0.300 524 F C 1.595 177.279 175.800 -0.194 0.000 1.103 524 F CA -0.244 57.391 58.000 -0.609 0.000 1.342 524 F CB -0.167 38.435 39.000 -0.663 0.000 1.098 524 F HN 0.099 nan 8.300 nan 0.000 0.586 525 M N -0.689 118.905 119.600 -0.009 0.000 2.501 525 M HA 0.042 4.521 4.480 -0.001 0.000 0.261 525 M C 0.188 176.516 176.300 0.046 0.000 1.129 525 M CA 0.476 55.799 55.300 0.039 0.000 1.126 525 M CB -0.696 31.910 32.600 0.010 0.000 1.359 525 M HN -0.080 nan 8.290 nan 0.000 0.471 526 D N 2.178 122.587 120.400 0.016 0.000 2.583 526 D HA -0.134 4.505 4.640 -0.001 0.000 0.232 526 D C 1.026 177.384 176.300 0.097 0.000 1.128 526 D CA 0.553 54.577 54.000 0.039 0.000 0.859 526 D CB 0.968 41.781 40.800 0.021 0.000 1.169 526 D HN 0.080 nan 8.370 nan 0.000 0.481 527 E N 2.044 122.280 120.200 0.060 0.000 2.209 527 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 527 E C 1.489 178.128 176.600 0.065 0.000 0.993 527 E CA 1.552 57.983 56.400 0.051 0.000 0.819 527 E CB -0.094 29.621 29.700 0.025 0.000 0.745 527 E HN 0.564 nan 8.360 nan 0.000 0.477 528 T N -0.524 114.085 114.554 0.092 0.000 2.746 528 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 528 T C 1.435 176.252 174.700 0.195 0.000 1.039 528 T CA 1.406 63.569 62.100 0.105 0.000 1.142 528 T CB -0.540 68.382 68.868 0.091 0.000 0.866 528 T HN 0.396 nan 8.240 nan 0.000 0.444 529 Y N 1.534 121.929 120.300 0.159 0.000 2.220 529 Y HA 0.012 4.562 4.550 -0.001 0.000 0.291 529 Y C 1.981 177.925 175.900 0.074 0.000 1.129 529 Y CA 1.020 59.231 58.100 0.185 0.000 1.161 529 Y CB -0.326 38.194 38.460 0.100 0.000 0.997 529 Y HN 0.090 nan 8.280 nan 0.000 0.522 530 L N -0.178 121.076 121.223 0.052 0.000 2.046 530 L HA -0.275 4.064 4.340 -0.001 0.000 0.208 530 L C 2.704 179.470 176.870 -0.173 0.000 1.077 530 L CA 1.773 56.563 54.840 -0.084 0.000 0.747 530 L CB -0.596 41.469 42.059 0.010 0.000 0.896 530 L HN 0.378 nan 8.230 nan 0.000 0.432 531 M N 0.154 119.693 119.600 -0.102 0.000 2.175 531 M HA -0.179 4.300 4.480 -0.001 0.000 0.264 531 M C 2.551 178.741 176.300 -0.183 0.000 1.063 531 M CA 2.114 57.342 55.300 -0.121 0.000 1.119 531 M CB -0.114 32.449 32.600 -0.061 0.000 1.377 531 M HN 0.399 nan 8.290 nan 0.000 0.415 532 S N 0.205 115.812 115.700 -0.155 0.000 2.469 532 S HA -0.090 4.379 4.470 -0.001 0.000 0.238 532 S C 1.158 175.537 174.600 -0.368 0.000 0.998 532 S CA 1.238 59.356 58.200 -0.137 0.000 0.957 532 S CB -0.536 62.694 63.200 0.050 0.000 0.764 532 S HN 0.562 nan 8.310 nan 0.000 0.514 533 N N 0.986 119.344 118.700 -0.570 0.000 2.236 533 N HA 0.193 4.932 4.740 -0.001 0.000 0.196 533 N C -0.392 174.446 175.510 -1.121 0.000 1.114 533 N CA 0.032 52.517 53.050 -0.942 0.000 0.859 533 N CB 0.260 38.381 38.487 -0.610 0.000 0.982 533 N HN 0.460 nan 8.380 nan 0.000 0.493 534 R N 0.730 120.792 120.500 -0.730 0.000 2.391 534 R HA 0.214 4.553 4.340 -0.001 0.000 0.310 534 R C -0.697 175.363 176.300 -0.401 0.000 1.174 534 R CA -0.419 55.402 56.100 -0.466 0.000 1.118 534 R CB -0.185 29.969 30.300 -0.244 0.000 1.134 534 R HN -0.103 nan 8.270 nan 0.000 0.524 535 F N 2.774 122.695 119.950 -0.050 0.000 2.566 535 F HA 0.042 4.568 4.527 -0.001 0.000 0.349 535 F C 1.540 177.323 175.800 -0.028 0.000 1.245 535 F CA -0.574 57.411 58.000 -0.025 0.000 1.169 535 F CB 0.219 39.219 39.000 0.001 0.000 1.470 535 F HN 0.237 nan 8.300 nan 0.000 0.634 536 V N 2.121 122.087 119.914 0.087 0.000 2.688 536 V HA -0.195 3.924 4.120 -0.001 0.000 0.256 536 V C 1.024 177.176 176.094 0.096 0.000 1.084 536 V CA 1.077 63.407 62.300 0.051 0.000 1.103 536 V CB -0.382 31.440 31.823 -0.001 0.000 0.688 536 V HN 0.516 nan 8.190 nan 0.000 0.480 537 L N 0.627 121.894 121.223 0.074 0.000 2.388 537 L HA 0.483 4.822 4.340 -0.001 0.000 0.267 537 L C -0.478 176.491 176.870 0.165 0.000 0.995 537 L CA 0.053 54.953 54.840 0.099 0.000 0.864 537 L CB 1.605 43.643 42.059 -0.035 0.000 1.216 537 L HN 0.136 nan 8.230 nan 0.000 0.430 538 S N 2.713 118.530 115.700 0.195 0.000 2.437 538 S HA 0.773 5.243 4.470 -0.001 0.000 0.305 538 S C -0.181 174.611 174.600 0.319 0.000 1.109 538 S CA -0.267 58.054 58.200 0.203 0.000 1.099 538 S CB 1.166 64.427 63.200 0.101 0.000 1.004 538 S HN 0.757 nan 8.310 nan 0.000 0.475 539 T N 0.707 115.481 114.554 0.367 0.000 2.838 539 T HA 0.888 5.237 4.350 -0.001 0.000 0.292 539 T C -0.778 174.174 174.700 0.420 0.000 1.113 539 T CA -0.527 61.840 62.100 0.445 0.000 1.008 539 T CB 1.451 70.583 68.868 0.439 0.000 1.259 539 T HN 1.132 nan 8.240 nan 0.000 0.520 540 S N -0.225 115.690 115.700 0.359 0.000 2.614 540 S HA 0.376 4.845 4.470 -0.001 0.000 0.280 540 S C -1.674 172.737 174.600 -0.316 0.000 1.111 540 S CA -0.981 57.303 58.200 0.141 0.000 0.847 540 S CB 1.452 64.794 63.200 0.237 0.000 1.079 540 S HN 1.122 nan 8.310 nan 0.000 0.452 541 Q N 1.425 120.969 119.800 -0.428 0.000 2.290 541 Q HA 0.640 4.979 4.340 -0.001 0.000 0.259 541 Q C -1.546 174.315 176.000 -0.232 0.000 0.941 541 Q CA -0.733 54.651 55.803 -0.698 0.000 0.912 541 Q CB 1.432 29.921 28.738 -0.415 0.000 1.244 541 Q HN 0.695 nan 8.270 nan 0.000 0.441 542 V N 7.750 127.560 119.914 -0.172 0.000 2.320 542 V HA 0.329 4.448 4.120 -0.001 0.000 0.268 542 V C -2.192 173.899 176.094 -0.006 0.000 1.021 542 V CA -1.316 60.970 62.300 -0.023 0.000 0.813 542 V CB 1.044 32.899 31.823 0.054 0.000 1.054 542 V HN 0.753 nan 8.190 nan 0.000 0.444 543 P HA 0.403 nan 4.420 nan 0.000 0.275 543 P C -0.384 176.943 177.300 0.045 0.000 1.228 543 P CA 0.216 63.330 63.100 0.024 0.000 0.786 543 P CB 1.631 33.347 31.700 0.027 0.000 0.927 544 T N -2.716 111.870 114.554 0.055 0.000 2.982 544 T HA 0.365 4.714 4.350 -0.001 0.000 0.321 544 T C 0.941 175.675 174.700 0.056 0.000 1.229 544 T CA -0.351 61.786 62.100 0.062 0.000 1.044 544 T CB 0.927 69.846 68.868 0.085 0.000 1.184 544 T HN 0.416 nan 8.240 nan 0.000 0.477 545 T N -0.283 114.300 114.554 0.049 0.000 3.009 545 T HA 0.154 4.504 4.350 -0.001 0.000 0.258 545 T C 1.150 175.875 174.700 0.042 0.000 1.063 545 T CA 0.745 62.870 62.100 0.040 0.000 1.139 545 T CB -0.568 68.319 68.868 0.032 0.000 0.890 545 T HN 0.758 nan 8.240 nan 0.000 0.471 546 T N 2.005 116.587 114.554 0.046 0.000 2.689 546 T HA 0.163 4.513 4.350 -0.001 0.000 0.308 546 T C 0.913 175.660 174.700 0.079 0.000 1.021 546 T CA -0.471 61.658 62.100 0.049 0.000 0.973 546 T CB 0.643 69.531 68.868 0.034 0.000 1.113 546 T HN 0.249 nan 8.240 nan 0.000 0.522 547 E N 0.156 120.411 120.200 0.092 0.000 2.502 547 E HA 0.037 4.386 4.350 -0.001 0.000 0.194 547 E C 0.842 177.568 176.600 0.210 0.000 1.062 547 E CA -0.096 56.382 56.400 0.131 0.000 0.867 547 E CB -0.074 29.696 29.700 0.117 0.000 0.888 547 E HN 0.515 nan 8.360 nan 0.000 0.510 548 M N -0.175 119.536 119.600 0.185 0.000 2.163 548 M HA 0.421 4.900 4.480 -0.001 0.000 0.305 548 M C -0.330 176.131 176.300 0.267 0.000 1.166 548 M CA -0.383 55.028 55.300 0.185 0.000 1.132 548 M CB 0.460 33.166 32.600 0.178 0.000 1.413 548 M HN -0.159 nan 8.290 nan 0.000 0.478 549 F N -1.230 118.796 119.950 0.127 0.000 2.678 549 F HA 0.699 5.225 4.527 -0.001 0.000 0.308 549 F C -1.587 174.271 175.800 0.098 0.000 1.118 549 F CA -1.438 56.620 58.000 0.096 0.000 0.959 549 F CB 0.689 39.741 39.000 0.086 0.000 1.305 549 F HN 0.910 nan 8.300 nan 0.000 0.443 550 C N 2.639 122.106 119.300 0.278 0.000 2.391 550 C HA 0.942 5.401 4.460 -0.001 0.000 0.339 550 C C -0.073 175.072 174.990 0.258 0.000 1.205 550 C CA -0.372 58.760 59.018 0.190 0.000 1.937 550 C CB -0.116 27.725 27.740 0.168 0.000 2.341 550 C HN 1.263 nan 8.230 nan 0.000 0.516 551 C N 4.291 123.702 119.300 0.185 0.000 3.288 551 C HA 1.003 5.462 4.460 -0.001 0.000 0.318 551 C C -1.367 173.658 174.990 0.057 0.000 1.356 551 C CA -0.754 58.314 59.018 0.082 0.000 1.359 551 C CB 0.801 28.695 27.740 0.257 0.000 1.688 551 C HN 1.161 nan 8.230 nan 0.000 0.467 552 Y N -0.835 119.537 120.300 0.121 0.000 2.702 552 Y HA 0.767 5.317 4.550 -0.002 0.000 0.336 552 Y C -0.039 175.899 175.900 0.063 0.000 1.203 552 Y CA -0.494 57.639 58.100 0.055 0.000 1.072 552 Y CB 0.192 38.709 38.460 0.095 0.000 1.327 552 Y HN 1.272 nan 8.280 nan 0.000 0.456 553 G N 0.502 109.452 108.800 0.249 0.000 2.588 553 G HA2 0.615 4.575 3.960 -0.001 0.000 0.281 553 G HA3 0.615 4.575 3.960 -0.001 0.000 0.281 553 G C -2.929 172.043 174.900 0.121 0.000 1.236 553 G CA -1.857 43.299 45.100 0.095 0.000 0.969 553 G HN 0.486 nan 8.290 nan 0.000 0.504 554 P HA 0.204 nan 4.420 nan 0.000 0.275 554 P C 0.854 178.186 177.300 0.053 0.000 1.266 554 P CA -0.250 62.798 63.100 -0.088 0.000 0.793 554 P CB 1.078 32.550 31.700 -0.380 0.000 1.074 555 V N -2.252 117.702 119.914 0.066 0.000 3.528 555 V HA 0.266 4.385 4.120 -0.001 0.000 0.294 555 V C 0.273 176.410 176.094 0.071 0.000 1.404 555 V CA 0.028 62.359 62.300 0.053 0.000 1.065 555 V CB -0.258 31.551 31.823 -0.023 0.000 0.904 555 V HN 0.337 nan 8.190 nan 0.000 0.435 556 V N -5.208 114.775 119.914 0.115 0.000 2.971 556 V HA 0.653 4.772 4.120 -0.001 0.000 0.309 556 V C -2.035 174.182 176.094 0.205 0.000 1.130 556 V CA -1.794 60.563 62.300 0.095 0.000 0.964 556 V CB 1.351 33.187 31.823 0.022 0.000 1.029 556 V HN -0.018 nan 8.190 nan 0.000 0.427 557 P HA -0.148 nan 4.420 nan 0.000 0.216 557 P C 0.727 178.140 177.300 0.189 0.000 1.154 557 P CA 2.032 65.222 63.100 0.150 0.000 0.865 557 P CB -0.045 31.646 31.700 -0.015 0.000 0.789 558 N N -1.083 117.652 118.700 0.058 0.000 2.320 558 N HA 0.149 4.889 4.740 -0.001 0.000 0.237 558 N C 0.427 175.878 175.510 -0.098 0.000 1.129 558 N CA -0.072 52.962 53.050 -0.027 0.000 0.854 558 N CB -0.126 38.341 38.487 -0.034 0.000 1.083 558 N HN -0.007 nan 8.380 nan 0.000 0.504 559 G N -0.714 108.029 108.800 -0.096 0.000 2.932 559 G HA2 0.614 4.573 3.960 -0.001 0.000 0.283 559 G HA3 0.614 4.573 3.960 -0.001 0.000 0.283 559 G C -1.649 173.070 174.900 -0.302 0.000 1.336 559 G CA -0.550 44.479 45.100 -0.119 0.000 1.056 559 G HN 0.129 nan 8.290 nan 0.000 0.522 560 Y N -1.489 118.756 120.300 -0.091 0.000 2.562 560 Y HA 0.621 5.170 4.550 -0.001 0.000 0.343 560 Y C 0.663 176.519 175.900 -0.074 0.000 1.025 560 Y CA -0.589 57.404 58.100 -0.179 0.000 1.082 560 Y CB 2.682 40.918 38.460 -0.374 0.000 1.264 560 Y HN 0.701 nan 8.280 nan 0.000 0.478 561 G N 0.428 109.309 108.800 0.136 0.000 2.487 561 G HA2 0.627 4.586 3.960 -0.001 0.000 0.314 561 G HA3 0.627 4.586 3.960 -0.001 0.000 0.314 561 G C -1.512 173.458 174.900 0.116 0.000 1.267 561 G CA -0.754 44.464 45.100 0.198 0.000 0.937 561 G HN 0.763 nan 8.290 nan 0.000 0.481 562 A N 1.719 124.663 122.820 0.206 0.000 2.466 562 A HA 0.545 4.865 4.320 -0.001 0.000 0.291 562 A C -0.545 177.229 177.584 0.318 0.000 1.234 562 A CA -0.539 51.655 52.037 0.262 0.000 0.752 562 A CB 0.756 19.987 19.000 0.385 0.000 1.153 562 A HN 1.038 nan 8.150 nan 0.000 0.458 563 C N 4.652 124.024 119.300 0.121 0.000 2.281 563 C HA 0.845 5.304 4.460 -0.001 0.000 0.325 563 C C -0.707 174.375 174.990 0.153 0.000 1.282 563 C CA -0.713 58.363 59.018 0.096 0.000 1.640 563 C CB -0.863 26.817 27.740 -0.101 0.000 2.288 563 C HN 0.781 nan 8.230 nan 0.000 0.507 564 Y N 3.584 123.919 120.300 0.058 0.000 2.509 564 Y HA 0.675 5.225 4.550 -0.001 0.000 0.341 564 Y C -0.307 175.528 175.900 -0.110 0.000 1.038 564 Y CA -1.594 56.412 58.100 -0.156 0.000 1.089 564 Y CB 0.760 38.991 38.460 -0.383 0.000 1.241 564 Y HN 0.554 nan 8.280 nan 0.000 0.468 565 N N 3.393 122.059 118.700 -0.056 0.000 2.623 565 N HA 0.381 5.120 4.740 -0.001 0.000 0.256 565 N C -3.337 172.158 175.510 -0.026 0.000 1.045 565 N CA -2.476 50.560 53.050 -0.025 0.000 0.863 565 N CB 1.604 40.099 38.487 0.013 0.000 1.182 565 N HN 0.474 nan 8.380 nan 0.000 0.523 566 P HA 0.209 nan 4.420 nan 0.000 0.282 566 P C -0.828 176.491 177.300 0.032 0.000 1.262 566 P CA -0.195 62.925 63.100 0.034 0.000 0.773 566 P CB 1.391 33.153 31.700 0.104 0.000 0.879 567 Q N 3.766 123.578 119.800 0.021 0.000 2.418 567 Q HA 0.351 4.690 4.340 -0.001 0.000 0.276 567 Q C -1.791 174.233 176.000 0.041 0.000 1.081 567 Q CA -2.110 53.710 55.803 0.027 0.000 0.864 567 Q CB 0.469 29.216 28.738 0.015 0.000 1.384 567 Q HN 0.159 nan 8.270 nan 0.000 0.467 568 P HA -0.172 nan 4.420 nan 0.000 0.216 568 P C 0.373 177.716 177.300 0.071 0.000 1.153 568 P CA 1.682 64.813 63.100 0.051 0.000 0.858 568 P CB 0.478 32.201 31.700 0.038 0.000 0.789 569 E N -1.897 118.334 120.200 0.051 0.000 2.601 569 E HA 0.133 4.482 4.350 -0.001 0.000 0.219 569 E C 0.574 177.184 176.600 0.017 0.000 0.964 569 E CA 0.447 56.879 56.400 0.053 0.000 1.050 569 E CB 0.410 30.127 29.700 0.027 0.000 1.068 569 E HN 0.319 nan 8.360 nan 0.000 0.496 570 T N -1.994 112.565 114.554 0.008 0.000 2.816 570 T HA 0.744 5.093 4.350 -0.001 0.000 0.299 570 T C -0.585 174.108 174.700 -0.012 0.000 1.230 570 T CA -0.786 61.297 62.100 -0.028 0.000 1.007 570 T CB 1.622 70.448 68.868 -0.070 0.000 1.289 570 T HN -0.036 nan 8.240 nan 0.000 0.508 571 I N 1.692 122.250 120.570 -0.020 0.000 2.497 571 I HA 0.368 4.537 4.170 -0.001 0.000 0.284 571 I C -1.293 174.664 176.117 -0.267 0.000 1.060 571 I CA -0.975 60.236 61.300 -0.148 0.000 1.071 571 I CB 1.931 39.821 38.000 -0.184 0.000 1.216 571 I HN 0.520 nan 8.210 nan 0.000 0.442 572 L N 6.997 128.052 121.223 -0.280 0.000 2.290 572 L HA 0.510 4.849 4.340 -0.001 0.000 0.284 572 L C -1.261 175.419 176.870 -0.316 0.000 1.078 572 L CA 0.448 55.145 54.840 -0.238 0.000 0.815 572 L CB 0.358 42.326 42.059 -0.153 0.000 1.162 572 L HN 0.249 nan 8.230 nan 0.000 0.435 573 F N 3.915 123.843 119.950 -0.037 0.000 2.467 573 F HA 0.384 4.910 4.527 -0.001 0.000 0.336 573 F C -0.036 175.757 175.800 -0.011 0.000 1.123 573 F CA -0.381 57.656 58.000 0.063 0.000 0.964 573 F CB 1.372 40.456 39.000 0.139 0.000 1.136 573 F HN 0.304 nan 8.300 nan 0.000 0.447 574 C N 5.823 125.229 119.300 0.176 0.000 2.225 574 C HA 0.556 5.015 4.460 -0.001 0.000 0.323 574 C C -0.217 174.799 174.990 0.042 0.000 1.164 574 C CA -0.855 58.185 59.018 0.036 0.000 1.565 574 C CB -1.012 26.865 27.740 0.228 0.000 2.124 574 C HN 0.393 nan 8.230 nan 0.000 0.461 575 I N 4.141 124.638 120.570 -0.122 0.000 2.359 575 I HA 0.480 4.649 4.170 -0.001 0.000 0.294 575 I C 0.515 176.626 176.117 -0.010 0.000 0.987 575 I CA 0.315 61.618 61.300 0.005 0.000 1.225 575 I CB 1.500 39.561 38.000 0.102 0.000 1.366 575 I HN 0.689 nan 8.210 nan 0.000 0.466 576 S N 4.311 120.091 115.700 0.134 0.000 2.548 576 S HA 0.935 5.404 4.470 -0.001 0.000 0.286 576 S C -0.415 174.159 174.600 -0.045 0.000 1.098 576 S CA -0.506 57.783 58.200 0.149 0.000 0.930 576 S CB 2.556 65.879 63.200 0.204 0.000 1.070 576 S HN 0.753 nan 8.310 nan 0.000 0.480 577 S N 0.777 116.345 115.700 -0.219 0.000 2.727 577 S HA 0.747 5.216 4.470 -0.001 0.000 0.278 577 S C -1.664 172.640 174.600 -0.493 0.000 1.186 577 S CA -1.098 56.819 58.200 -0.471 0.000 0.836 577 S CB 0.265 63.198 63.200 -0.446 0.000 1.186 577 S HN 0.677 nan 8.310 nan 0.000 0.499 578 F N 0.838 120.683 119.950 -0.175 0.000 2.467 578 F HA 0.466 4.992 4.527 -0.002 0.000 0.336 578 F C 1.380 177.117 175.800 -0.105 0.000 1.123 578 F CA -0.765 57.160 58.000 -0.125 0.000 0.964 578 F CB 1.346 40.301 39.000 -0.074 0.000 1.136 578 F HN 0.793 nan 8.300 nan 0.000 0.447 579 H N -0.026 119.159 119.070 0.192 0.000 2.518 579 H HA -0.168 4.387 4.556 -0.001 0.000 0.292 579 H C 2.240 177.610 175.328 0.070 0.000 1.068 579 H CA 1.396 57.505 56.048 0.103 0.000 1.275 579 H CB 0.335 30.151 29.762 0.089 0.000 1.375 579 H HN 0.587 nan 8.280 nan 0.000 0.563 580 S N -0.255 115.553 115.700 0.179 0.000 2.423 580 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 580 S C 1.030 175.663 174.600 0.055 0.000 1.014 580 S CA 0.316 58.563 58.200 0.078 0.000 0.965 580 S CB -0.321 62.880 63.200 0.002 0.000 0.785 580 S HN 0.487 nan 8.310 nan 0.000 0.495 581 C N 2.576 121.916 119.300 0.066 0.000 2.256 581 C HA 0.759 5.218 4.460 -0.001 0.000 0.333 581 C C 1.798 176.800 174.990 0.021 0.000 1.183 581 C CA -0.622 58.410 59.018 0.023 0.000 1.692 581 C CB -0.603 27.136 27.740 -0.003 0.000 2.274 581 C HN 0.564 nan 8.230 nan 0.000 0.509 582 A N 4.498 127.331 122.820 0.022 0.000 2.070 582 A HA 0.054 4.373 4.320 -0.001 0.000 0.220 582 A C 2.223 179.826 177.584 0.031 0.000 1.159 582 A CA 1.947 54.003 52.037 0.031 0.000 0.656 582 A CB -0.377 18.637 19.000 0.023 0.000 0.800 582 A HN 1.303 nan 8.150 nan 0.000 0.453 583 A N -0.383 122.441 122.820 0.008 0.000 1.970 583 A HA 0.180 4.499 4.320 -0.001 0.000 0.216 583 A C 1.647 179.262 177.584 0.052 0.000 1.170 583 A CA 1.530 53.577 52.037 0.017 0.000 0.645 583 A CB -0.882 18.091 19.000 -0.045 0.000 0.816 583 A HN 0.654 nan 8.150 nan 0.000 0.447 584 T N -2.775 111.749 114.554 -0.051 0.000 2.927 584 T HA 0.560 4.909 4.350 -0.001 0.000 0.281 584 T C -0.269 174.456 174.700 0.041 0.000 0.998 584 T CA 0.034 62.074 62.100 -0.101 0.000 1.019 584 T CB 1.532 70.038 68.868 -0.603 0.000 1.061 584 T HN 0.553 nan 8.240 nan 0.000 0.518 585 S N 0.115 115.929 115.700 0.190 0.000 2.584 585 S HA 0.348 4.817 4.470 -0.001 0.000 0.282 585 S C 0.736 175.522 174.600 0.309 0.000 1.138 585 S CA -0.623 57.689 58.200 0.187 0.000 0.987 585 S CB 1.015 64.306 63.200 0.151 0.000 1.137 585 S HN 0.697 nan 8.310 nan 0.000 0.457 586 S N 2.917 118.740 115.700 0.204 0.000 2.383 586 S HA -0.063 4.406 4.470 -0.001 0.000 0.227 586 S C 1.957 176.623 174.600 0.110 0.000 1.026 586 S CA 1.606 59.927 58.200 0.202 0.000 0.981 586 S CB -0.222 63.026 63.200 0.079 0.000 0.818 586 S HN 0.725 nan 8.310 nan 0.000 0.472 587 S N 1.547 117.283 115.700 0.059 0.000 2.356 587 S HA -0.063 4.406 4.470 -0.001 0.000 0.223 587 S C 1.869 176.439 174.600 -0.049 0.000 1.032 587 S CA 1.079 59.272 58.200 -0.012 0.000 1.005 587 S CB -0.179 63.023 63.200 0.003 0.000 0.867 587 S HN 0.468 nan 8.310 nan 0.000 0.449 588 K N 0.089 120.490 120.400 0.002 0.000 2.057 588 K HA -0.051 4.268 4.320 -0.001 0.000 0.207 588 K C 1.859 178.404 176.600 -0.093 0.000 1.049 588 K CA 1.218 57.476 56.287 -0.048 0.000 0.931 588 K CB -0.289 32.203 32.500 -0.013 0.000 0.714 588 K HN 0.301 nan 8.250 nan 0.000 0.440 589 F N 1.690 121.541 119.950 -0.165 0.000 2.134 589 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 589 F C 2.187 177.792 175.800 -0.325 0.000 1.097 589 F CA 1.272 59.094 58.000 -0.296 0.000 1.264 589 F CB -0.317 38.410 39.000 -0.456 0.000 1.001 589 F HN -0.030 nan 8.300 nan 0.000 0.479 590 A N 0.023 122.698 122.820 -0.241 0.000 1.908 590 A HA -0.255 4.064 4.320 -0.001 0.000 0.218 590 A C 2.137 179.329 177.584 -0.653 0.000 1.181 590 A CA 2.003 53.769 52.037 -0.452 0.000 0.627 590 A CB -0.781 17.992 19.000 -0.377 0.000 0.818 590 A HN 0.366 nan 8.150 nan 0.000 0.445 591 K N 0.300 120.410 120.400 -0.484 0.000 2.057 591 K HA 0.016 4.336 4.320 -0.001 0.000 0.207 591 K C 1.930 178.298 176.600 -0.388 0.000 1.049 591 K CA 1.713 57.752 56.287 -0.412 0.000 0.931 591 K CB -0.612 31.727 32.500 -0.269 0.000 0.714 591 K HN 0.316 nan 8.250 nan 0.000 0.440 592 A N 0.005 122.562 122.820 -0.438 0.000 1.969 592 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 592 A C 2.280 179.556 177.584 -0.512 0.000 1.169 592 A CA 1.602 53.374 52.037 -0.441 0.000 0.635 592 A CB -0.597 18.108 19.000 -0.493 0.000 0.810 592 A HN 0.133 nan 8.150 nan 0.000 0.445 593 V N -0.059 119.435 119.914 -0.699 0.000 2.307 593 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 593 V C 2.512 178.326 176.094 -0.467 0.000 1.045 593 V CA 2.282 64.160 62.300 -0.703 0.000 1.024 593 V CB -0.647 30.597 31.823 -0.964 0.000 0.651 593 V HN 0.792 nan 8.190 nan 0.000 0.449 594 E N 0.302 120.302 120.200 -0.333 0.000 2.038 594 E HA -0.284 4.065 4.350 -0.001 0.000 0.195 594 E C 2.177 178.752 176.600 -0.042 0.000 1.000 594 E CA 1.922 58.294 56.400 -0.047 0.000 0.803 594 E CB -0.141 29.562 29.700 0.004 0.000 0.750 594 E HN 0.711 nan 8.360 nan 0.000 0.448 595 E N 0.018 120.152 120.200 -0.110 0.000 2.118 595 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 595 E C 2.293 178.856 176.600 -0.062 0.000 0.992 595 E CA 1.226 57.587 56.400 -0.065 0.000 0.804 595 E CB -0.026 29.614 29.700 -0.100 0.000 0.741 595 E HN 0.161 nan 8.360 nan 0.000 0.458 596 S N 1.064 116.681 115.700 -0.137 0.000 2.368 596 S HA -0.102 4.368 4.470 -0.001 0.000 0.225 596 S C 2.056 176.628 174.600 -0.047 0.000 1.030 596 S CA 0.783 58.918 58.200 -0.108 0.000 0.999 596 S CB -0.164 62.931 63.200 -0.175 0.000 0.844 596 S HN 0.176 nan 8.310 nan 0.000 0.459 597 L N 1.029 122.181 121.223 -0.117 0.000 2.083 597 L HA -0.091 4.248 4.340 -0.001 0.000 0.209 597 L C 2.194 179.218 176.870 0.256 0.000 1.083 597 L CA 0.726 55.545 54.840 -0.035 0.000 0.752 597 L CB -0.537 41.085 42.059 -0.729 0.000 0.899 597 L HN 0.289 nan 8.230 nan 0.000 0.433 598 I N -0.049 120.652 120.570 0.218 0.000 2.179 598 I HA -0.274 3.895 4.170 -0.001 0.000 0.242 598 I C 2.214 178.442 176.117 0.186 0.000 1.088 598 I CA 1.505 62.962 61.300 0.261 0.000 1.357 598 I CB -1.122 36.986 38.000 0.181 0.000 1.051 598 I HN 0.271 nan 8.210 nan 0.000 0.409 599 D N 0.590 121.063 120.400 0.122 0.000 2.116 599 D HA -0.204 4.435 4.640 -0.001 0.000 0.193 599 D C 2.366 178.755 176.300 0.148 0.000 0.998 599 D CA 1.372 55.432 54.000 0.102 0.000 0.836 599 D CB -0.221 40.610 40.800 0.051 0.000 0.951 599 D HN 0.281 nan 8.370 nan 0.000 0.449 600 M N -0.098 119.605 119.600 0.172 0.000 2.159 600 M HA -0.133 4.347 4.480 -0.001 0.000 0.263 600 M C 2.292 178.766 176.300 0.289 0.000 1.063 600 M CA 1.090 56.495 55.300 0.175 0.000 1.110 600 M CB -0.090 32.499 32.600 -0.019 0.000 1.374 600 M HN -0.064 nan 8.290 nan 0.000 0.411 601 R N 0.710 121.411 120.500 0.334 0.000 2.073 601 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 601 R C 1.416 177.827 176.300 0.185 0.000 1.134 601 R CA 2.076 58.311 56.100 0.224 0.000 0.952 601 R CB -0.323 29.965 30.300 -0.022 0.000 0.850 601 R HN 0.310 nan 8.270 nan 0.000 0.433 602 D N 0.841 121.326 120.400 0.141 0.000 2.149 602 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 602 D C 2.052 178.423 176.300 0.117 0.000 0.990 602 D CA 1.034 55.099 54.000 0.109 0.000 0.839 602 D CB -0.217 40.636 40.800 0.087 0.000 0.948 602 D HN 0.295 nan 8.370 nan 0.000 0.460 603 L N 0.159 121.463 121.223 0.134 0.000 2.046 603 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 603 L C 2.400 179.338 176.870 0.113 0.000 1.077 603 L CA 0.819 55.731 54.840 0.119 0.000 0.747 603 L CB -0.271 41.869 42.059 0.136 0.000 0.896 603 L HN 0.126 nan 8.230 nan 0.000 0.432 604 C N -1.133 118.261 119.300 0.157 0.000 2.456 604 C HA -0.034 4.425 4.460 -0.001 0.000 0.279 604 C C 2.430 177.492 174.990 0.119 0.000 1.427 604 C CA 0.432 59.530 59.018 0.134 0.000 1.778 604 C CB -0.705 27.143 27.740 0.181 0.000 1.842 604 C HN 0.395 nan 8.230 nan 0.000 0.531 605 S N 0.523 116.311 115.700 0.146 0.000 2.614 605 S HA 0.268 4.737 4.470 -0.001 0.000 0.230 605 S C 0.611 175.255 174.600 0.074 0.000 0.952 605 S CA -0.059 58.212 58.200 0.118 0.000 0.949 605 S CB -0.093 63.185 63.200 0.130 0.000 0.786 605 S HN 0.491 nan 8.310 nan 0.000 0.478 606 L N 0.000 121.261 121.223 0.063 0.000 2.949 606 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 606 L CA 0.000 54.867 54.840 0.046 0.000 0.813 606 L CB 0.000 42.085 42.059 0.043 0.000 0.961 606 L HN 0.000 nan 8.230 nan 0.000 0.502