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 3l79_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.061 0.000 1.108 13 I N 0.093 120.651 120.570 -0.021 0.000 2.562 13 I HA 0.516 4.679 4.170 -0.011 0.000 0.301 13 I C 1.114 177.230 176.117 -0.001 0.000 1.003 13 I CA -0.101 61.195 61.300 -0.007 0.000 1.127 13 I CB 1.953 39.953 38.000 -0.001 0.000 1.304 13 I HN 0.244 nan 8.210 nan 0.000 0.446 14 S N 3.803 119.508 115.700 0.007 0.000 2.368 14 S HA -0.170 4.294 4.470 -0.011 0.000 0.225 14 S C 1.744 176.353 174.600 0.015 0.000 1.030 14 S CA 1.294 59.500 58.200 0.010 0.000 0.999 14 S CB -1.018 62.192 63.200 0.017 0.000 0.844 14 S HN 0.897 nan 8.310 nan 0.000 0.459 15 V N -0.213 119.717 119.914 0.027 0.000 3.026 15 V HA 0.104 4.217 4.120 -0.011 0.000 0.265 15 V C 2.149 178.257 176.094 0.024 0.000 1.121 15 V CA 1.376 63.696 62.300 0.033 0.000 1.142 15 V CB -1.156 30.695 31.823 0.046 0.000 0.730 15 V HN 0.404 nan 8.190 nan 0.000 0.503 16 R N 1.142 121.648 120.500 0.009 0.000 2.310 16 R HA 0.417 4.750 4.340 -0.011 0.000 0.202 16 R C 1.193 177.485 176.300 -0.014 0.000 0.933 16 R CA 0.567 56.666 56.100 -0.003 0.000 1.054 16 R CB -0.041 30.253 30.300 -0.010 0.000 0.985 16 R HN 0.776 nan 8.270 nan 0.000 0.489 17 G N 0.893 109.684 108.800 -0.014 0.000 2.698 17 G HA2 -0.253 3.700 3.960 -0.011 0.000 0.225 17 G HA3 -0.253 3.700 3.960 -0.011 0.000 0.225 17 G C -0.628 174.257 174.900 -0.025 0.000 1.345 17 G CA -0.967 44.117 45.100 -0.026 0.000 0.871 17 G HN 0.090 nan 8.290 nan 0.000 0.540 18 L N 0.271 121.477 121.223 -0.029 0.000 2.334 18 L HA 0.634 4.967 4.340 -0.011 0.000 0.277 18 L C 1.055 177.910 176.870 -0.024 0.000 1.075 18 L CA -0.153 54.673 54.840 -0.024 0.000 0.804 18 L CB 1.734 43.780 42.059 -0.021 0.000 1.174 18 L HN 1.179 nan 8.230 nan 0.000 0.438 19 A N 2.438 125.246 122.820 -0.020 0.000 3.056 19 A HA 0.551 4.865 4.320 -0.011 0.000 0.328 19 A C 0.434 178.012 177.584 -0.009 0.000 1.233 19 A CA -0.414 51.612 52.037 -0.017 0.000 0.965 19 A CB -0.238 18.750 19.000 -0.020 0.000 1.123 19 A HN 0.771 nan 8.150 nan 0.000 0.502 20 G N -0.320 108.476 108.800 -0.007 0.000 2.442 20 G HA2 0.347 4.300 3.960 -0.011 0.000 0.249 20 G HA3 0.347 4.300 3.960 -0.011 0.000 0.249 20 G C 1.082 175.985 174.900 0.005 0.000 1.263 20 G CA 0.239 45.338 45.100 -0.001 0.000 0.846 20 G HN 0.749 nan 8.290 nan 0.000 0.555 21 V N 1.784 121.703 119.914 0.007 0.000 2.324 21 V HA -0.204 3.910 4.120 -0.011 0.000 0.250 21 V C 2.627 178.730 176.094 0.016 0.000 1.060 21 V CA 2.962 65.269 62.300 0.011 0.000 1.042 21 V CB -0.330 31.499 31.823 0.009 0.000 0.650 21 V HN 0.901 nan 8.190 nan 0.000 0.450 22 E N 0.073 120.282 120.200 0.016 0.000 2.051 22 E HA -0.202 4.141 4.350 -0.011 0.000 0.192 22 E C 2.019 178.639 176.600 0.033 0.000 0.991 22 E CA 1.828 58.242 56.400 0.023 0.000 0.799 22 E CB -0.274 29.439 29.700 0.021 0.000 0.748 22 E HN 0.674 nan 8.360 nan 0.000 0.449 23 N N -0.746 117.972 118.700 0.031 0.000 2.084 23 N HA -0.127 4.606 4.740 -0.011 0.000 0.190 23 N C 1.658 177.193 175.510 0.041 0.000 1.030 23 N CA 1.266 54.340 53.050 0.040 0.000 0.849 23 N CB -0.226 38.272 38.487 0.018 0.000 1.012 23 N HN 0.012 nan 8.380 nan 0.000 0.423 24 V N 0.247 120.176 119.914 0.026 0.000 2.295 24 V HA -0.231 3.882 4.120 -0.011 0.000 0.246 24 V C 2.088 178.202 176.094 0.032 0.000 1.049 24 V CA 1.938 64.252 62.300 0.023 0.000 1.024 24 V CB -1.006 30.826 31.823 0.015 0.000 0.648 24 V HN 0.384 nan 8.190 nan 0.000 0.447 25 T N -0.670 113.903 114.554 0.032 0.000 2.684 25 T HA -0.233 4.110 4.350 -0.011 0.000 0.267 25 T C 1.933 176.664 174.700 0.052 0.000 1.036 25 T CA 1.836 63.956 62.100 0.034 0.000 1.148 25 T CB -0.224 68.660 68.868 0.027 0.000 0.863 25 T HN 0.434 nan 8.240 nan 0.000 0.436 26 E N 0.862 121.101 120.200 0.064 0.000 2.051 26 E HA -0.022 4.322 4.350 -0.011 0.000 0.192 26 E C 2.076 178.751 176.600 0.125 0.000 0.991 26 E CA 0.879 57.331 56.400 0.087 0.000 0.799 26 E CB -0.499 29.259 29.700 0.097 0.000 0.748 26 E HN 0.429 nan 8.360 nan 0.000 0.449 27 L N 0.166 121.468 121.223 0.132 0.000 2.042 27 L HA -0.214 4.119 4.340 -0.011 0.000 0.210 27 L C 2.380 179.353 176.870 0.172 0.000 1.076 27 L CA 1.489 56.428 54.840 0.166 0.000 0.749 27 L CB -0.318 41.809 42.059 0.112 0.000 0.893 27 L HN 0.059 nan 8.230 nan 0.000 0.432 28 K N -0.138 120.323 120.400 0.102 0.000 2.097 28 K HA -0.219 4.094 4.320 -0.011 0.000 0.206 28 K C 2.192 178.886 176.600 0.157 0.000 1.049 28 K CA 1.243 57.581 56.287 0.085 0.000 0.933 28 K CB -0.093 32.417 32.500 0.018 0.000 0.717 28 K HN 0.169 nan 8.250 nan 0.000 0.442 29 K N 0.944 121.420 120.400 0.126 0.000 2.026 29 K HA -0.140 4.174 4.320 -0.011 0.000 0.208 29 K C 1.655 178.340 176.600 0.141 0.000 1.048 29 K CA 1.397 57.751 56.287 0.113 0.000 0.929 29 K CB 0.010 32.555 32.500 0.075 0.000 0.713 29 K HN 0.108 nan 8.250 nan 0.000 0.439 30 N N 0.260 119.057 118.700 0.161 0.000 2.244 30 N HA -0.145 4.589 4.740 -0.011 0.000 0.183 30 N C 1.700 177.362 175.510 0.255 0.000 1.016 30 N CA 0.856 54.000 53.050 0.156 0.000 0.866 30 N CB -0.253 38.339 38.487 0.174 0.000 0.980 30 N HN 0.191 nan 8.380 nan 0.000 0.430 31 F N 2.610 122.660 119.950 0.165 0.000 2.095 31 F HA -0.136 4.384 4.527 -0.011 0.000 0.298 31 F C 2.028 177.930 175.800 0.170 0.000 1.104 31 F CA 1.330 59.441 58.000 0.184 0.000 1.232 31 F CB -0.143 38.935 39.000 0.130 0.000 0.987 31 F HN -0.035 nan 8.300 nan 0.000 0.475 32 N N 0.453 119.382 118.700 0.383 0.000 2.188 32 N HA -0.185 4.548 4.740 -0.011 0.000 0.184 32 N C 2.010 177.597 175.510 0.129 0.000 1.018 32 N CA 1.175 54.370 53.050 0.243 0.000 0.858 32 N CB -0.551 38.057 38.487 0.201 0.000 0.989 32 N HN 0.377 nan 8.380 nan 0.000 0.426 33 R N 0.209 120.782 120.500 0.122 0.000 2.073 33 R HA -0.102 4.231 4.340 -0.011 0.000 0.234 33 R C 1.800 178.172 176.300 0.121 0.000 1.134 33 R CA 1.506 57.696 56.100 0.151 0.000 0.952 33 R CB -0.228 30.104 30.300 0.053 0.000 0.850 33 R HN 0.380 nan 8.270 nan 0.000 0.433 34 H N -0.406 118.705 119.070 0.069 0.000 2.389 34 H HA -0.115 4.434 4.556 -0.011 0.000 0.299 34 H C 1.886 177.158 175.328 -0.093 0.000 1.081 34 H CA 1.420 57.448 56.048 -0.032 0.000 1.345 34 H CB 0.077 29.785 29.762 -0.089 0.000 1.393 34 H HN 0.129 nan 8.280 nan 0.000 0.520 35 L N -0.035 121.176 121.223 -0.021 0.000 2.079 35 L HA -0.206 4.127 4.340 -0.011 0.000 0.210 35 L C 2.201 179.048 176.870 -0.039 0.000 1.081 35 L CA 1.902 56.702 54.840 -0.066 0.000 0.752 35 L CB -0.420 41.606 42.059 -0.055 0.000 0.896 35 L HN 0.317 nan 8.230 nan 0.000 0.433 36 H N -1.875 117.112 119.070 -0.138 0.000 2.276 36 H HA -0.060 4.489 4.556 -0.011 0.000 0.307 36 H C 1.788 176.913 175.328 -0.338 0.000 1.061 36 H CA 2.238 58.106 56.048 -0.300 0.000 1.336 36 H CB -0.232 29.243 29.762 -0.480 0.000 1.396 36 H HN 0.283 nan 8.280 nan 0.000 0.503 37 F N -0.415 119.535 119.950 0.001 0.000 2.270 37 F HA -0.003 4.517 4.527 -0.012 0.000 0.295 37 F C 2.589 178.323 175.800 -0.109 0.000 1.087 37 F CA 1.349 59.307 58.000 -0.071 0.000 1.365 37 F CB -0.390 38.599 39.000 -0.018 0.000 1.056 37 F HN 0.177 nan 8.300 nan 0.000 0.506 38 T N 0.047 114.644 114.554 0.073 0.000 2.901 38 T HA 0.063 4.406 4.350 -0.011 0.000 0.252 38 T C 1.997 176.617 174.700 -0.134 0.000 1.035 38 T CA 0.877 62.944 62.100 -0.055 0.000 1.142 38 T CB -0.292 68.506 68.868 -0.116 0.000 0.869 38 T HN 0.105 nan 8.240 nan 0.000 0.442 39 L N 1.134 122.281 121.223 -0.127 0.000 2.477 39 L HA 0.193 4.527 4.340 -0.011 0.000 0.220 39 L C 0.462 177.245 176.870 -0.145 0.000 1.106 39 L CA -0.058 54.696 54.840 -0.143 0.000 0.851 39 L CB -0.160 41.826 42.059 -0.122 0.000 0.994 39 L HN -0.012 nan 8.230 nan 0.000 0.462 40 V N 0.498 120.308 119.914 -0.173 0.000 6.078 40 V HA -0.271 3.842 4.120 -0.011 0.000 0.301 40 V C -0.026 175.958 176.094 -0.184 0.000 0.571 40 V CA 1.110 63.277 62.300 -0.221 0.000 0.625 40 V CB -2.233 29.486 31.823 -0.174 0.000 0.271 40 V HN 0.420 nan 8.190 nan 0.000 0.788 41 K N 1.213 121.511 120.400 -0.169 0.000 2.444 41 K HA 0.723 5.036 4.320 -0.011 0.000 0.252 41 K C -0.486 176.071 176.600 -0.072 0.000 0.993 41 K CA -0.570 55.649 56.287 -0.113 0.000 0.847 41 K CB 2.769 35.206 32.500 -0.105 0.000 1.340 41 K HN 0.522 nan 8.250 nan 0.000 0.446 42 D N -0.176 120.206 120.400 -0.029 0.000 2.423 42 D HA 0.291 4.924 4.640 -0.011 0.000 0.235 42 D C 0.640 176.971 176.300 0.051 0.000 1.011 42 D CA -0.644 53.374 54.000 0.030 0.000 0.963 42 D CB 1.117 41.937 40.800 0.033 0.000 1.349 42 D HN 0.129 nan 8.370 nan 0.000 0.508 43 R N 0.250 120.814 120.500 0.106 0.000 2.200 43 R HA -0.073 4.260 4.340 -0.011 0.000 0.234 43 R C 1.118 177.489 176.300 0.119 0.000 1.127 43 R CA 0.641 56.843 56.100 0.168 0.000 0.989 43 R CB -0.659 29.749 30.300 0.180 0.000 0.869 43 R HN 0.528 nan 8.270 nan 0.000 0.459 44 N N 0.331 119.071 118.700 0.066 0.000 2.244 44 N HA -0.110 4.623 4.740 -0.011 0.000 0.183 44 N C 1.691 177.218 175.510 0.029 0.000 1.016 44 N CA 1.654 54.731 53.050 0.046 0.000 0.866 44 N CB 0.094 38.597 38.487 0.028 0.000 0.980 44 N HN 0.274 nan 8.380 nan 0.000 0.430 45 V N -3.073 116.845 119.914 0.007 0.000 3.477 45 V HA 0.541 4.654 4.120 -0.011 0.000 0.297 45 V C 0.732 176.793 176.094 -0.055 0.000 1.433 45 V CA -0.450 61.840 62.300 -0.016 0.000 1.052 45 V CB -0.282 31.527 31.823 -0.023 0.000 0.895 45 V HN 0.069 nan 8.190 nan 0.000 0.438 46 A N 2.179 124.944 122.820 -0.092 0.000 2.462 46 A HA 0.587 4.900 4.320 -0.011 0.000 0.243 46 A C 0.733 178.139 177.584 -0.297 0.000 1.076 46 A CA 0.767 52.642 52.037 -0.269 0.000 0.773 46 A CB -0.091 18.626 19.000 -0.470 0.000 1.010 46 A HN 0.842 nan 8.150 nan 0.000 0.493 47 T N 0.018 114.393 114.554 -0.298 0.000 2.948 47 T HA 0.572 4.915 4.350 -0.011 0.000 0.285 47 T C -2.144 172.455 174.700 -0.168 0.000 1.019 47 T CA -1.791 60.219 62.100 -0.151 0.000 1.013 47 T CB 1.232 70.066 68.868 -0.056 0.000 1.117 47 T HN 0.254 nan 8.240 nan 0.000 0.533 48 P HA -0.116 nan 4.420 nan 0.000 0.217 48 P C 1.571 178.973 177.300 0.169 0.000 1.148 48 P CA 0.972 64.201 63.100 0.214 0.000 0.828 48 P CB 0.056 31.854 31.700 0.163 0.000 0.783 49 R N -0.016 120.534 120.500 0.083 0.000 2.092 49 R HA -0.133 4.201 4.340 -0.011 0.000 0.231 49 R C 1.649 178.111 176.300 0.269 0.000 1.119 49 R CA 1.713 57.900 56.100 0.145 0.000 0.970 49 R CB -0.640 29.689 30.300 0.048 0.000 0.864 49 R HN 0.102 nan 8.270 nan 0.000 0.440 50 D N -0.311 120.136 120.400 0.077 0.000 2.117 50 D HA -0.190 4.443 4.640 -0.011 0.000 0.197 50 D C 1.700 178.030 176.300 0.049 0.000 0.987 50 D CA 1.307 55.315 54.000 0.013 0.000 0.829 50 D CB -0.280 40.388 40.800 -0.219 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N 0.179 120.583 120.300 0.174 0.000 2.200 51 Y HA -0.199 4.345 4.550 -0.011 0.000 0.290 51 Y C 2.336 178.366 175.900 0.217 0.000 1.137 51 Y CA 0.231 58.473 58.100 0.237 0.000 1.163 51 Y CB -1.226 37.434 38.460 0.334 0.000 0.988 51 Y HN 0.069 nan 8.280 nan 0.000 0.518 52 Y N -0.273 120.165 120.300 0.230 0.000 2.081 52 Y HA -0.331 4.212 4.550 -0.012 0.000 0.280 52 Y C 2.043 177.906 175.900 -0.062 0.000 1.163 52 Y CA 1.495 59.620 58.100 0.041 0.000 1.135 52 Y CB -1.197 37.185 38.460 -0.130 0.000 0.970 52 Y HN 0.052 nan 8.280 nan 0.000 0.498 53 F N 0.165 119.900 119.950 -0.358 0.000 2.171 53 F HA -0.170 4.351 4.527 -0.011 0.000 0.300 53 F C 2.649 178.277 175.800 -0.286 0.000 1.090 53 F CA 1.335 59.060 58.000 -0.457 0.000 1.293 53 F CB -0.842 38.075 39.000 -0.138 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.237 122.532 122.820 -0.086 0.000 1.902 54 A HA -0.173 4.140 4.320 -0.011 0.000 0.217 54 A C 2.053 179.512 177.584 -0.208 0.000 1.181 54 A CA 1.496 53.359 52.037 -0.290 0.000 0.623 54 A CB -0.962 17.527 19.000 -0.851 0.000 0.818 54 A HN 0.341 nan 8.150 nan 0.000 0.443 55 L N -0.251 120.955 121.223 -0.028 0.000 2.027 55 L HA -0.012 4.321 4.340 -0.011 0.000 0.206 55 L C 2.684 179.527 176.870 -0.045 0.000 1.074 55 L CA 2.125 57.069 54.840 0.174 0.000 0.745 55 L CB -0.952 41.275 42.059 0.280 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.218 121.386 122.820 -0.361 0.000 1.883 56 A HA -0.286 4.027 4.320 -0.011 0.000 0.217 56 A C 2.146 179.371 177.584 -0.598 0.000 1.186 56 A CA 2.037 53.737 52.037 -0.562 0.000 0.624 56 A CB -1.116 17.210 19.000 -1.123 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.444 57 H N -0.804 117.960 119.070 -0.510 0.000 2.387 57 H HA -0.068 4.482 4.556 -0.011 0.000 0.299 57 H C 2.355 177.439 175.328 -0.407 0.000 1.090 57 H CA 1.959 57.637 56.048 -0.616 0.000 1.332 57 H CB -0.177 28.956 29.762 -1.047 0.000 1.386 57 H HN 0.468 nan 8.280 nan 0.000 0.516 58 T N -0.229 114.299 114.554 -0.044 0.000 2.708 58 T HA -0.141 4.202 4.350 -0.011 0.000 0.266 58 T C 2.256 177.127 174.700 0.285 0.000 1.037 58 T CA 1.403 63.650 62.100 0.244 0.000 1.146 58 T CB -0.390 68.672 68.868 0.324 0.000 0.865 58 T HN 0.100 nan 8.240 nan 0.000 0.435 59 V N 1.537 121.576 119.914 0.209 0.000 2.358 59 V HA -0.114 3.999 4.120 -0.011 0.000 0.246 59 V C 2.617 178.888 176.094 0.295 0.000 1.047 59 V CA 1.520 63.975 62.300 0.258 0.000 1.035 59 V CB -0.651 31.319 31.823 0.245 0.000 0.658 59 V HN 0.370 nan 8.190 nan 0.000 0.452 60 R N 0.302 120.931 120.500 0.215 0.000 2.091 60 R HA -0.233 4.100 4.340 -0.011 0.000 0.238 60 R C 1.998 178.413 176.300 0.191 0.000 1.136 60 R CA 2.196 58.421 56.100 0.208 0.000 0.959 60 R CB -0.484 29.800 30.300 -0.026 0.000 0.856 60 R HN 0.474 nan 8.270 nan 0.000 0.437 61 D N -0.128 120.375 120.400 0.172 0.000 2.158 61 D HA -0.175 4.458 4.640 -0.011 0.000 0.197 61 D C 1.723 178.058 176.300 0.057 0.000 0.995 61 D CA 1.513 55.586 54.000 0.122 0.000 0.846 61 D CB -0.418 40.448 40.800 0.111 0.000 0.941 61 D HN 0.495 nan 8.370 nan 0.000 0.456 62 H N -0.467 118.670 119.070 0.111 0.000 2.491 62 H HA 0.093 4.642 4.556 -0.011 0.000 0.290 62 H C 2.077 177.449 175.328 0.073 0.000 1.050 62 H CA 0.431 56.528 56.048 0.082 0.000 1.309 62 H CB -0.004 29.798 29.762 0.066 0.000 1.392 62 H HN 0.110 nan 8.280 nan 0.000 0.554 63 L N -0.669 120.669 121.223 0.191 0.000 2.179 63 L HA -0.107 4.226 4.340 -0.011 0.000 0.208 63 L C 1.988 178.968 176.870 0.183 0.000 1.096 63 L CA 0.280 55.197 54.840 0.128 0.000 0.779 63 L CB -0.046 42.058 42.059 0.075 0.000 0.922 63 L HN 0.181 nan 8.230 nan 0.000 0.443 64 V N 0.120 120.159 119.914 0.208 0.000 2.261 64 V HA -0.236 3.877 4.120 -0.011 0.000 0.246 64 V C 2.632 178.839 176.094 0.188 0.000 1.047 64 V CA 2.132 64.586 62.300 0.256 0.000 1.015 64 V CB -1.323 30.606 31.823 0.176 0.000 0.642 64 V HN 0.561 nan 8.190 nan 0.000 0.446 65 G N -0.217 108.647 108.800 0.107 0.000 2.446 65 G HA2 -0.268 3.686 3.960 -0.011 0.000 0.217 65 G HA3 -0.268 3.686 3.960 -0.011 0.000 0.217 65 G C 1.748 176.692 174.900 0.074 0.000 1.168 65 G CA 0.937 46.075 45.100 0.064 0.000 0.771 65 G HN 0.459 nan 8.290 nan 0.000 0.551 66 R N -1.468 119.086 120.500 0.091 0.000 2.092 66 R HA -0.062 4.271 4.340 -0.011 0.000 0.231 66 R C 2.257 178.638 176.300 0.136 0.000 1.119 66 R CA 1.128 57.271 56.100 0.071 0.000 0.970 66 R CB -0.356 29.971 30.300 0.046 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.542 122.822 121.300 -0.033 0.000 2.355 67 W HA -0.070 4.583 4.660 -0.011 0.000 0.309 67 W C 1.715 178.206 176.519 -0.047 0.000 1.206 67 W CA 0.920 58.242 57.345 -0.038 0.000 1.284 67 W CB -0.631 28.826 29.460 -0.005 0.000 1.145 67 W HN -0.044 nan 8.180 nan 0.000 0.502 68 I N 0.922 121.540 120.570 0.080 0.000 2.226 68 I HA -0.352 3.811 4.170 -0.011 0.000 0.245 68 I C 2.696 178.791 176.117 -0.037 0.000 1.100 68 I CA 2.160 63.423 61.300 -0.061 0.000 1.374 68 I CB -0.604 37.366 38.000 -0.050 0.000 1.057 68 I HN -0.005 nan 8.210 nan 0.000 0.413 69 R N 0.222 120.718 120.500 -0.007 0.000 2.119 69 R HA -0.047 4.286 4.340 -0.011 0.000 0.222 69 R C 1.938 178.203 176.300 -0.058 0.000 1.088 69 R CA 1.501 57.588 56.100 -0.022 0.000 0.984 69 R CB -1.072 29.217 30.300 -0.019 0.000 0.884 69 R HN 0.140 nan 8.270 nan 0.000 0.447 70 T N 1.547 116.045 114.554 -0.092 0.000 2.674 70 T HA -0.118 4.225 4.350 -0.011 0.000 0.265 70 T C 1.791 176.228 174.700 -0.437 0.000 1.039 70 T CA 1.447 63.387 62.100 -0.267 0.000 1.150 70 T CB -0.142 68.597 68.868 -0.215 0.000 0.864 70 T HN 0.267 nan 8.240 nan 0.000 0.427 71 Q N 0.771 120.445 119.800 -0.210 0.000 2.119 71 Q HA -0.083 4.251 4.340 -0.011 0.000 0.201 71 Q C 2.360 178.359 176.000 -0.002 0.000 0.972 71 Q CA 1.251 56.993 55.803 -0.102 0.000 0.847 71 Q CB -0.503 28.212 28.738 -0.038 0.000 0.903 71 Q HN 0.519 nan 8.270 nan 0.000 0.433 72 Q N 0.262 120.058 119.800 -0.007 0.000 2.084 72 Q HA -0.199 4.134 4.340 -0.011 0.000 0.202 72 Q C 1.917 178.002 176.000 0.142 0.000 0.978 72 Q CA 1.920 57.767 55.803 0.073 0.000 0.844 72 Q CB -0.363 28.399 28.738 0.040 0.000 0.898 72 Q HN 0.542 nan 8.270 nan 0.000 0.426 73 H N -0.982 118.063 119.070 -0.041 0.000 2.352 73 H HA -0.175 4.374 4.556 -0.011 0.000 0.299 73 H C 1.125 176.522 175.328 0.116 0.000 1.097 73 H CA 2.245 58.282 56.048 -0.017 0.000 1.311 73 H CB -0.293 29.399 29.762 -0.116 0.000 1.377 73 H HN 0.372 nan 8.280 nan 0.000 0.504 74 Y N -1.078 119.240 120.300 0.030 0.000 2.242 74 Y HA -0.169 4.374 4.550 -0.012 0.000 0.291 74 Y C 2.422 178.338 175.900 0.027 0.000 1.137 74 Y CA 0.981 59.070 58.100 -0.018 0.000 1.181 74 Y CB -1.366 37.147 38.460 0.088 0.000 0.989 74 Y HN 0.351 nan 8.280 nan 0.000 0.527 75 Y N 1.107 121.480 120.300 0.122 0.000 2.181 75 Y HA -0.197 4.346 4.550 -0.012 0.000 0.288 75 Y C 2.087 177.993 175.900 0.010 0.000 1.146 75 Y CA 1.838 59.972 58.100 0.058 0.000 1.164 75 Y CB -0.254 38.230 38.460 0.040 0.000 0.982 75 Y HN 0.183 nan 8.280 nan 0.000 0.515 76 E N -0.205 119.988 120.200 -0.012 0.000 2.047 76 E HA -0.166 4.177 4.350 -0.011 0.000 0.191 76 E C 2.084 178.595 176.600 -0.149 0.000 0.987 76 E CA 1.236 57.573 56.400 -0.104 0.000 0.799 76 E CB -0.072 29.631 29.700 0.005 0.000 0.752 76 E HN 0.388 nan 8.360 nan 0.000 0.449 77 K N 0.516 120.815 120.400 -0.169 0.000 2.305 77 K HA -0.079 4.234 4.320 -0.011 0.000 0.199 77 K C 0.053 176.580 176.600 -0.122 0.000 1.047 77 K CA 0.583 56.768 56.287 -0.169 0.000 0.976 77 K CB 0.088 32.414 32.500 -0.289 0.000 0.765 77 K HN 0.013 nan 8.250 nan 0.000 0.474 78 D N 1.021 121.358 120.400 -0.105 0.000 2.735 78 D HA -0.098 4.535 4.640 -0.011 0.000 0.235 78 D C -2.442 173.817 176.300 -0.068 0.000 1.175 78 D CA 0.083 54.033 54.000 -0.084 0.000 0.683 78 D CB -0.143 40.582 40.800 -0.125 0.000 1.008 78 D HN 0.167 nan 8.370 nan 0.000 0.416 79 P HA 0.101 nan 4.420 nan 0.000 0.276 79 P C -0.106 177.142 177.300 -0.086 0.000 1.261 79 P CA -0.572 62.479 63.100 -0.082 0.000 0.800 79 P CB 0.623 32.255 31.700 -0.112 0.000 1.066 80 K N 1.293 121.649 120.400 -0.074 0.000 2.451 80 K HA 0.024 4.337 4.320 -0.011 0.000 0.280 80 K C -0.096 176.416 176.600 -0.146 0.000 1.020 80 K CA 0.109 56.347 56.287 -0.081 0.000 1.008 80 K CB 0.200 32.669 32.500 -0.052 0.000 0.917 80 K HN 0.270 nan 8.250 nan 0.000 0.478 81 R N 3.615 124.015 120.500 -0.167 0.000 2.407 81 R HA 0.373 4.707 4.340 -0.011 0.000 0.303 81 R C -0.590 175.446 176.300 -0.440 0.000 0.981 81 R CA -0.535 55.388 56.100 -0.294 0.000 0.905 81 R CB 0.945 31.074 30.300 -0.285 0.000 1.099 81 R HN 0.498 nan 8.270 nan 0.000 0.459 82 I N 4.120 124.372 120.570 -0.531 0.000 2.354 82 I HA 0.237 4.400 4.170 -0.011 0.000 0.292 82 I C -0.732 175.077 176.117 -0.514 0.000 0.989 82 I CA -0.779 60.166 61.300 -0.593 0.000 1.188 82 I CB 0.971 38.502 38.000 -0.781 0.000 1.342 82 I HN 0.542 nan 8.210 nan 0.000 0.457 83 Y N 5.823 126.090 120.300 -0.056 0.000 2.345 83 Y HA 0.310 4.853 4.550 -0.011 0.000 0.331 83 Y C -0.364 175.645 175.900 0.181 0.000 0.959 83 Y CA -0.730 57.459 58.100 0.149 0.000 1.204 83 Y CB 1.310 39.816 38.460 0.076 0.000 1.135 83 Y HN 0.404 nan 8.280 nan 0.000 0.477 84 Y N 4.552 125.046 120.300 0.323 0.000 2.434 84 Y HA 0.512 5.055 4.550 -0.011 0.000 0.341 84 Y C -1.338 174.830 175.900 0.447 0.000 0.965 84 Y CA -0.970 57.324 58.100 0.323 0.000 1.205 84 Y CB 0.370 39.020 38.460 0.317 0.000 1.121 84 Y HN 0.520 nan 8.280 nan 0.000 0.507 85 L N 5.081 126.357 121.223 0.089 0.000 2.264 85 L HA 0.509 4.842 4.340 -0.011 0.000 0.289 85 L C -0.249 176.649 176.870 0.046 0.000 1.044 85 L CA 0.080 55.032 54.840 0.186 0.000 0.807 85 L CB 1.373 43.507 42.059 0.124 0.000 1.192 85 L HN 0.577 nan 8.230 nan 0.000 0.425 86 S N 2.738 118.544 115.700 0.177 0.000 2.541 86 S HA 0.479 4.942 4.470 -0.011 0.000 0.271 86 S C 0.308 174.995 174.600 0.145 0.000 1.133 86 S CA -0.626 57.575 58.200 0.003 0.000 0.876 86 S CB 1.033 64.003 63.200 -0.383 0.000 1.105 86 S HN 0.487 nan 8.310 nan 0.000 0.470 87 L N 2.422 123.767 121.223 0.204 0.000 2.558 87 L HA 0.377 4.710 4.340 -0.011 0.000 0.225 87 L C 0.202 177.264 176.870 0.320 0.000 1.128 87 L CA 1.141 56.169 54.840 0.313 0.000 0.868 87 L CB -0.787 41.477 42.059 0.341 0.000 1.006 87 L HN 0.704 nan 8.230 nan 0.000 0.454 88 E N -0.796 119.460 120.200 0.094 0.000 2.275 88 E HA 0.384 4.727 4.350 -0.011 0.000 0.270 88 E C -1.521 174.950 176.600 -0.214 0.000 0.882 88 E CA -0.374 56.062 56.400 0.060 0.000 0.758 88 E CB 2.066 31.776 29.700 0.017 0.000 1.195 88 E HN -0.150 nan 8.360 nan 0.000 0.419 89 F N 2.215 122.273 119.950 0.180 0.000 2.716 89 F HA 0.187 4.707 4.527 -0.012 0.000 0.354 89 F C -0.806 175.081 175.800 0.146 0.000 1.168 89 F CA -0.788 57.306 58.000 0.157 0.000 1.045 89 F CB 0.991 40.075 39.000 0.140 0.000 1.311 89 F HN 0.483 nan 8.300 nan 0.000 0.477 90 Y N 5.336 125.711 120.300 0.126 0.000 2.714 90 Y HA 0.239 4.782 4.550 -0.011 0.000 0.333 90 Y C 0.848 176.766 175.900 0.030 0.000 1.220 90 Y CA -1.047 57.076 58.100 0.039 0.000 1.513 90 Y CB 0.376 38.842 38.460 0.010 0.000 1.435 90 Y HN 0.558 nan 8.280 nan 0.000 0.489 91 M N 1.412 121.123 119.600 0.185 0.000 2.388 91 M HA 0.134 4.608 4.480 -0.011 0.000 0.265 91 M C 1.545 177.811 176.300 -0.057 0.000 1.088 91 M CA 1.000 56.327 55.300 0.046 0.000 1.134 91 M CB -1.097 31.511 32.600 0.012 0.000 1.384 91 M HN 0.691 nan 8.290 nan 0.000 0.447 92 G N 1.434 110.201 108.800 -0.055 0.000 2.569 92 G HA2 -0.281 3.672 3.960 -0.011 0.000 0.259 92 G HA3 -0.281 3.672 3.960 -0.011 0.000 0.259 92 G C -0.218 174.628 174.900 -0.091 0.000 1.263 92 G CA -0.283 44.752 45.100 -0.109 0.000 0.928 92 G HN 0.444 nan 8.290 nan 0.000 0.572 93 R N -0.781 119.650 120.500 -0.115 0.000 2.560 93 R HA 0.559 4.892 4.340 -0.011 0.000 0.270 93 R C 1.090 177.272 176.300 -0.197 0.000 1.074 93 R CA 0.320 56.363 56.100 -0.095 0.000 1.140 93 R CB 0.673 30.924 30.300 -0.082 0.000 1.073 93 R HN 0.524 nan 8.270 nan 0.000 0.527 94 T N 1.049 115.439 114.554 -0.274 0.000 2.978 94 T HA -0.005 4.338 4.350 -0.011 0.000 0.248 94 T C 1.419 175.752 174.700 -0.610 0.000 1.018 94 T CA -0.141 61.586 62.100 -0.621 0.000 1.026 94 T CB 0.143 68.256 68.868 -1.258 0.000 1.032 94 T HN 0.311 nan 8.240 nan 0.000 0.485 95 L N 1.953 123.044 121.223 -0.220 0.000 1.970 95 L HA -0.019 4.314 4.340 -0.011 0.000 0.212 95 L C 2.460 179.296 176.870 -0.057 0.000 1.071 95 L CA 2.014 56.873 54.840 0.032 0.000 0.751 95 L CB -0.673 41.607 42.059 0.368 0.000 0.889 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.782 118.981 119.800 -0.062 0.000 2.084 96 Q HA -0.246 4.087 4.340 -0.011 0.000 0.202 96 Q C 2.223 178.150 176.000 -0.122 0.000 0.978 96 Q CA 1.776 57.535 55.803 -0.072 0.000 0.844 96 Q CB -0.311 28.383 28.738 -0.074 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.936 117.652 118.700 -0.186 0.000 2.104 97 N HA -0.157 4.576 4.740 -0.011 0.000 0.190 97 N C 1.368 176.770 175.510 -0.180 0.000 1.024 97 N CA 1.850 54.779 53.050 -0.201 0.000 0.853 97 N CB 0.038 38.372 38.487 -0.256 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.296 115.710 114.554 -0.234 0.000 2.777 98 T HA -0.055 4.288 4.350 -0.011 0.000 0.266 98 T C 2.079 176.716 174.700 -0.104 0.000 1.040 98 T CA 1.075 63.055 62.100 -0.200 0.000 1.141 98 T CB -0.070 68.632 68.868 -0.276 0.000 0.868 98 T HN 0.263 nan 8.240 nan 0.000 0.444 99 M N 0.582 120.137 119.600 -0.076 0.000 2.086 99 M HA -0.101 4.372 4.480 -0.011 0.000 0.261 99 M C 2.493 178.760 176.300 -0.055 0.000 1.067 99 M CA 1.299 56.568 55.300 -0.052 0.000 1.116 99 M CB -0.711 31.873 32.600 -0.027 0.000 1.348 99 M HN 0.096 nan 8.290 nan 0.000 0.407 100 V N 1.068 120.955 119.914 -0.045 0.000 2.252 100 V HA -0.302 3.811 4.120 -0.011 0.000 0.249 100 V C 1.837 177.945 176.094 0.024 0.000 1.056 100 V CA 2.083 64.383 62.300 0.000 0.000 1.022 100 V CB -0.906 30.916 31.823 -0.002 0.000 0.641 100 V HN 0.484 nan 8.190 nan 0.000 0.445 101 N N -0.512 118.186 118.700 -0.003 0.000 2.459 101 N HA -0.032 4.702 4.740 -0.011 0.000 0.181 101 N C 1.097 176.517 175.510 -0.149 0.000 1.046 101 N CA 0.685 53.720 53.050 -0.026 0.000 0.904 101 N CB -0.094 38.385 38.487 -0.014 0.000 0.964 101 N HN 0.284 nan 8.380 nan 0.000 0.444 102 L N -0.164 120.987 121.223 -0.119 0.000 2.640 102 L HA 0.393 4.726 4.340 -0.011 0.000 0.230 102 L C 0.604 177.395 176.870 -0.132 0.000 1.123 102 L CA -0.236 54.533 54.840 -0.119 0.000 0.900 102 L CB -0.836 41.174 42.059 -0.081 0.000 1.146 102 L HN 0.102 nan 8.230 nan 0.000 0.484 103 A N -0.430 122.308 122.820 -0.136 0.000 2.869 103 A HA -0.224 4.089 4.320 -0.011 0.000 0.280 103 A C 1.146 178.675 177.584 -0.091 0.000 1.458 103 A CA 1.131 53.100 52.037 -0.114 0.000 0.776 103 A CB -2.034 16.886 19.000 -0.134 0.000 1.028 103 A HN 0.323 nan 8.150 nan 0.000 0.547 104 L N -1.528 119.641 121.223 -0.090 0.000 2.766 104 L HA 0.156 4.489 4.340 -0.011 0.000 0.242 104 L C 1.930 178.763 176.870 -0.061 0.000 1.136 104 L CA 0.715 55.496 54.840 -0.098 0.000 0.933 104 L CB 0.096 42.066 42.059 -0.148 0.000 1.241 104 L HN 0.657 nan 8.230 nan 0.000 0.522 105 E N 0.787 120.960 120.200 -0.045 0.000 2.038 105 E HA -0.237 4.106 4.350 -0.011 0.000 0.195 105 E C 1.682 178.267 176.600 -0.025 0.000 1.000 105 E CA 1.477 57.861 56.400 -0.028 0.000 0.803 105 E CB 0.257 29.944 29.700 -0.022 0.000 0.750 105 E HN 0.397 nan 8.360 nan 0.000 0.448 106 N N 0.054 118.737 118.700 -0.029 0.000 2.142 106 N HA -0.121 4.612 4.740 -0.011 0.000 0.186 106 N C 1.561 177.055 175.510 -0.028 0.000 1.023 106 N CA 1.217 54.250 53.050 -0.029 0.000 0.852 106 N CB -0.383 38.086 38.487 -0.030 0.000 0.998 106 N HN 0.224 nan 8.380 nan 0.000 0.424 107 A N 0.432 123.234 122.820 -0.030 0.000 1.877 107 A HA -0.149 4.164 4.320 -0.011 0.000 0.216 107 A C 2.658 180.231 177.584 -0.017 0.000 1.186 107 A CA 1.367 53.389 52.037 -0.025 0.000 0.620 107 A CB -1.029 17.948 19.000 -0.037 0.000 0.822 107 A HN 0.440 nan 8.150 nan 0.000 0.443 108 C N -0.840 118.449 119.300 -0.018 0.000 2.440 108 C HA -0.066 4.387 4.460 -0.011 0.000 0.278 108 C C 2.457 177.446 174.990 -0.002 0.000 1.295 108 C CA 1.154 60.171 59.018 -0.001 0.000 1.738 108 C CB -1.151 26.598 27.740 0.015 0.000 1.987 108 C HN 0.725 nan 8.230 nan 0.000 0.492 109 D N 0.702 121.100 120.400 -0.003 0.000 2.097 109 D HA -0.144 4.489 4.640 -0.011 0.000 0.195 109 D C 2.120 178.430 176.300 0.017 0.000 0.989 109 D CA 1.522 55.523 54.000 0.001 0.000 0.827 109 D CB -0.216 40.574 40.800 -0.017 0.000 0.966 109 D HN 0.458 nan 8.370 nan 0.000 0.456 110 E N 0.171 120.374 120.200 0.005 0.000 2.028 110 E HA -0.054 4.289 4.350 -0.011 0.000 0.191 110 E C 1.919 178.553 176.600 0.057 0.000 0.988 110 E CA 1.607 58.028 56.400 0.035 0.000 0.799 110 E CB -0.658 29.047 29.700 0.008 0.000 0.755 110 E HN 0.219 nan 8.360 nan 0.000 0.447 111 A N -0.062 122.759 122.820 0.003 0.000 1.892 111 A HA -0.258 4.056 4.320 -0.011 0.000 0.218 111 A C 2.509 180.018 177.584 -0.125 0.000 1.188 111 A CA 3.146 55.156 52.037 -0.044 0.000 0.631 111 A CB -1.574 17.402 19.000 -0.039 0.000 0.822 111 A HN 0.538 nan 8.150 nan 0.000 0.447 112 T N -3.714 110.762 114.554 -0.130 0.000 2.821 112 T HA -0.210 4.133 4.350 -0.011 0.000 0.267 112 T C 1.850 176.471 174.700 -0.132 0.000 1.046 112 T CA 1.508 63.477 62.100 -0.219 0.000 1.139 112 T CB -0.613 68.168 68.868 -0.145 0.000 0.871 112 T HN 0.481 nan 8.240 nan 0.000 0.454 113 Y N 2.239 122.460 120.300 -0.133 0.000 2.165 113 Y HA -0.126 4.418 4.550 -0.011 0.000 0.286 113 Y C 2.626 178.464 175.900 -0.104 0.000 1.155 113 Y CA 1.627 59.667 58.100 -0.100 0.000 1.164 113 Y CB -0.499 37.922 38.460 -0.066 0.000 0.978 113 Y HN 0.249 nan 8.280 nan 0.000 0.513 114 Q N -0.944 118.789 119.800 -0.111 0.000 2.291 114 Q HA -0.115 4.219 4.340 -0.011 0.000 0.205 114 Q C 1.482 177.351 176.000 -0.217 0.000 0.970 114 Q CA 0.797 56.495 55.803 -0.175 0.000 0.876 114 Q CB -0.034 28.676 28.738 -0.048 0.000 0.935 114 Q HN 0.360 nan 8.270 nan 0.000 0.455 115 L N -0.990 120.085 121.223 -0.247 0.000 2.591 115 L HA 0.148 4.481 4.340 -0.011 0.000 0.228 115 L C 1.154 177.856 176.870 -0.280 0.000 1.133 115 L CA 1.227 55.904 54.840 -0.272 0.000 0.880 115 L CB -0.281 41.530 42.059 -0.414 0.000 1.033 115 L HN 0.321 nan 8.230 nan 0.000 0.450 116 G N -0.334 108.286 108.800 -0.300 0.000 2.132 116 G HA2 -0.233 3.720 3.960 -0.011 0.000 0.228 116 G HA3 -0.233 3.720 3.960 -0.011 0.000 0.228 116 G C 0.072 174.838 174.900 -0.224 0.000 1.000 116 G CA 0.226 45.165 45.100 -0.269 0.000 0.693 116 G HN 0.277 nan 8.290 nan 0.000 0.515 117 L N -0.154 120.934 121.223 -0.225 0.000 2.341 117 L HA 0.646 4.979 4.340 -0.011 0.000 0.267 117 L C -0.570 176.269 176.870 -0.051 0.000 1.009 117 L CA -1.198 53.544 54.840 -0.163 0.000 0.819 117 L CB 1.862 43.766 42.059 -0.258 0.000 1.323 117 L HN 0.072 nan 8.230 nan 0.000 0.425 118 D N 1.873 122.274 120.400 0.001 0.000 2.359 118 D HA 0.191 4.825 4.640 -0.011 0.000 0.230 118 D C 0.601 176.932 176.300 0.051 0.000 1.118 118 D CA -0.262 53.765 54.000 0.045 0.000 0.844 118 D CB 1.562 42.393 40.800 0.052 0.000 1.059 118 D HN 0.512 nan 8.370 nan 0.000 0.493 119 M N 3.114 122.745 119.600 0.050 0.000 2.159 119 M HA -0.142 4.331 4.480 -0.011 0.000 0.263 119 M C 1.269 177.610 176.300 0.068 0.000 1.063 119 M CA 1.560 56.897 55.300 0.062 0.000 1.110 119 M CB 0.211 32.841 32.600 0.049 0.000 1.374 119 M HN 0.421 nan 8.290 nan 0.000 0.411 120 E N -0.303 119.929 120.200 0.052 0.000 2.150 120 E HA -0.237 4.107 4.350 -0.011 0.000 0.193 120 E C 1.829 178.460 176.600 0.052 0.000 0.985 120 E CA 1.199 57.627 56.400 0.046 0.000 0.814 120 E CB -0.124 29.599 29.700 0.039 0.000 0.752 120 E HN 0.629 nan 8.360 nan 0.000 0.466 121 E N 0.862 121.098 120.200 0.060 0.000 2.072 121 E HA -0.165 4.178 4.350 -0.011 0.000 0.191 121 E C 2.091 178.732 176.600 0.068 0.000 0.985 121 E CA 0.572 57.008 56.400 0.061 0.000 0.801 121 E CB 0.087 29.826 29.700 0.065 0.000 0.750 121 E HN 0.228 nan 8.360 nan 0.000 0.452 122 L N 0.604 121.889 121.223 0.103 0.000 2.093 122 L HA -0.141 4.192 4.340 -0.011 0.000 0.208 122 L C 2.342 179.270 176.870 0.097 0.000 1.085 122 L CA 1.135 56.067 54.840 0.154 0.000 0.755 122 L CB -0.391 41.813 42.059 0.242 0.000 0.904 122 L HN 0.139 nan 8.230 nan 0.000 0.435 123 E N -0.042 120.204 120.200 0.078 0.000 2.153 123 E HA -0.202 4.141 4.350 -0.011 0.000 0.194 123 E C 1.924 178.482 176.600 -0.069 0.000 0.988 123 E CA 0.797 57.214 56.400 0.029 0.000 0.811 123 E CB 0.037 29.758 29.700 0.036 0.000 0.746 123 E HN 0.376 nan 8.360 nan 0.000 0.466 124 E N 0.280 120.454 120.200 -0.044 0.000 2.418 124 E HA -0.100 4.243 4.350 -0.011 0.000 0.197 124 E C 1.858 178.388 176.600 -0.116 0.000 1.026 124 E CA 0.508 56.881 56.400 -0.045 0.000 0.862 124 E CB 0.040 29.751 29.700 0.018 0.000 0.799 124 E HN 0.406 nan 8.360 nan 0.000 0.518 125 I N 0.857 121.292 120.570 -0.225 0.000 2.617 125 I HA -0.111 4.052 4.170 -0.011 0.000 0.256 125 I C 1.408 177.216 176.117 -0.514 0.000 1.167 125 I CA 0.266 61.365 61.300 -0.335 0.000 1.469 125 I CB 0.093 37.896 38.000 -0.327 0.000 1.098 125 I HN -0.019 nan 8.210 nan 0.000 0.436 126 E N 2.640 122.416 120.200 -0.706 0.000 2.414 126 E HA -0.036 4.308 4.350 -0.011 0.000 0.263 126 E C -0.252 176.253 176.600 -0.159 0.000 1.000 126 E CA -0.224 55.824 56.400 -0.586 0.000 0.914 126 E CB 0.624 30.088 29.700 -0.393 0.000 0.948 126 E HN 0.096 nan 8.360 nan 0.000 0.444 127 E N 3.427 123.632 120.200 0.009 0.000 2.354 127 E HA 0.063 4.406 4.350 -0.011 0.000 0.269 127 E C -0.769 175.927 176.600 0.161 0.000 1.036 127 E CA -0.264 56.222 56.400 0.144 0.000 0.876 127 E CB 0.710 30.590 29.700 0.300 0.000 1.009 127 E HN 0.487 nan 8.360 nan 0.000 0.416 128 D N 0.865 121.329 120.400 0.107 0.000 2.443 128 D HA 0.120 4.753 4.640 -0.011 0.000 0.239 128 D C -0.260 176.064 176.300 0.039 0.000 1.136 128 D CA 0.257 54.290 54.000 0.055 0.000 0.879 128 D CB 0.527 41.339 40.800 0.019 0.000 1.195 128 D HN 0.383 nan 8.370 nan 0.000 0.443 129 A N 2.341 125.129 122.820 -0.053 0.000 2.671 129 A HA 0.469 4.782 4.320 -0.011 0.000 0.306 129 A C 1.025 178.435 177.584 -0.289 0.000 1.473 129 A CA -0.417 51.379 52.037 -0.402 0.000 1.155 129 A CB -0.295 18.541 19.000 -0.273 0.000 1.123 129 A HN 0.533 nan 8.150 nan 0.000 0.545 130 G N 2.025 110.620 108.800 -0.342 0.000 3.717 130 G HA2 0.411 4.364 3.960 -0.011 0.000 0.258 130 G HA3 0.411 4.364 3.960 -0.011 0.000 0.258 130 G C 0.312 175.056 174.900 -0.259 0.000 1.088 130 G CA -0.290 44.739 45.100 -0.117 0.000 1.737 130 G HN 0.694 nan 8.290 nan 0.000 0.648 131 L N 1.286 122.395 121.223 -0.190 0.000 2.862 131 L HA 0.384 4.717 4.340 -0.011 0.000 0.240 131 L C 1.075 177.908 176.870 -0.061 0.000 1.283 131 L CA -0.217 54.592 54.840 -0.051 0.000 1.117 131 L CB -0.286 41.846 42.059 0.122 0.000 1.444 131 L HN 0.341 nan 8.230 nan 0.000 0.456 132 G N -1.329 107.221 108.800 -0.416 0.000 2.649 132 G HA2 0.202 4.155 3.960 -0.011 0.000 0.290 132 G HA3 0.202 4.155 3.960 -0.011 0.000 0.290 132 G C -0.175 174.184 174.900 -0.901 0.000 1.426 132 G CA -0.429 44.346 45.100 -0.542 0.000 0.794 132 G HN -0.101 nan 8.290 nan 0.000 0.483 133 N N -0.923 117.466 118.700 -0.519 0.000 2.439 133 N HA 0.235 4.968 4.740 -0.011 0.000 0.176 133 N C 1.085 176.524 175.510 -0.118 0.000 1.029 133 N CA 1.245 54.111 53.050 -0.307 0.000 0.886 133 N CB 1.377 39.820 38.487 -0.074 0.000 1.057 133 N HN 0.839 nan 8.380 nan 0.000 0.437 134 G N -0.724 108.102 108.800 0.044 0.000 2.725 134 G HA2 0.206 4.159 3.960 -0.011 0.000 0.098 134 G HA3 0.206 4.159 3.960 -0.011 0.000 0.098 134 G C 0.681 175.721 174.900 0.234 0.000 1.188 134 G CA 0.216 45.481 45.100 0.276 0.000 1.237 134 G HN 0.139 nan 8.290 nan 0.000 0.596 135 G N 0.331 109.203 108.800 0.120 0.000 2.446 135 G HA2 -0.078 3.875 3.960 -0.011 0.000 0.217 135 G HA3 -0.078 3.875 3.960 -0.011 0.000 0.217 135 G C 1.888 176.785 174.900 -0.005 0.000 1.168 135 G CA 1.521 46.651 45.100 0.050 0.000 0.771 135 G HN 0.788 nan 8.290 nan 0.000 0.551 136 L N 0.608 121.799 121.223 -0.053 0.000 2.017 136 L HA 0.077 4.410 4.340 -0.011 0.000 0.208 136 L C 2.829 179.626 176.870 -0.122 0.000 1.073 136 L CA 2.020 56.738 54.840 -0.203 0.000 0.745 136 L CB -0.542 41.357 42.059 -0.267 0.000 0.894 136 L HN 0.239 nan 8.230 nan 0.000 0.432 137 G N -0.796 107.993 108.800 -0.019 0.000 2.403 137 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.216 137 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.216 137 G C 1.634 176.613 174.900 0.131 0.000 1.154 137 G CA 0.651 45.764 45.100 0.023 0.000 0.784 137 G HN 0.297 nan 8.290 nan 0.000 0.538 138 R N 0.004 120.620 120.500 0.194 0.000 2.115 138 R HA 0.144 4.477 4.340 -0.011 0.000 0.226 138 R C 2.289 178.599 176.300 0.018 0.000 1.100 138 R CA 0.765 56.948 56.100 0.138 0.000 0.980 138 R CB -0.862 29.482 30.300 0.073 0.000 0.875 138 R HN 0.315 nan 8.270 nan 0.000 0.445 139 L N 0.268 121.432 121.223 -0.098 0.000 2.012 139 L HA -0.053 4.280 4.340 -0.011 0.000 0.210 139 L C 2.120 178.711 176.870 -0.464 0.000 1.073 139 L CA 2.229 56.867 54.840 -0.338 0.000 0.748 139 L CB -0.883 40.933 42.059 -0.404 0.000 0.891 139 L HN 0.271 nan 8.230 nan 0.000 0.431 140 A N -0.621 122.058 122.820 -0.235 0.000 1.908 140 A HA -0.203 4.110 4.320 -0.011 0.000 0.218 140 A C 2.440 180.085 177.584 0.101 0.000 1.181 140 A CA 2.068 54.044 52.037 -0.102 0.000 0.627 140 A CB -1.195 17.712 19.000 -0.155 0.000 0.818 140 A HN 0.591 nan 8.150 nan 0.000 0.445 141 A N -1.076 121.834 122.820 0.151 0.000 1.873 141 A HA -0.152 4.161 4.320 -0.011 0.000 0.215 141 A C 2.329 179.990 177.584 0.129 0.000 1.186 141 A CA 1.637 53.787 52.037 0.189 0.000 0.616 141 A CB -1.299 17.801 19.000 0.166 0.000 0.823 141 A HN 0.609 nan 8.150 nan 0.000 0.442 142 C N -1.411 117.963 119.300 0.124 0.000 2.429 142 C HA -0.088 4.365 4.460 -0.011 0.000 0.277 142 C C 2.436 177.584 174.990 0.265 0.000 1.262 142 C CA 0.694 59.822 59.018 0.183 0.000 1.733 142 C CB -1.654 26.212 27.740 0.210 0.000 2.010 142 C HN 0.603 nan 8.230 nan 0.000 0.483 143 F N 1.209 121.145 119.950 -0.023 0.000 2.126 143 F HA -0.096 4.424 4.527 -0.012 0.000 0.299 143 F C 2.258 178.002 175.800 -0.093 0.000 1.096 143 F CA 1.050 58.984 58.000 -0.111 0.000 1.255 143 F CB -1.405 37.392 39.000 -0.338 0.000 0.997 143 F HN 0.205 nan 8.300 nan 0.000 0.479 144 L N -0.435 120.866 121.223 0.129 0.000 2.046 144 L HA -0.251 4.082 4.340 -0.011 0.000 0.208 144 L C 2.157 179.040 176.870 0.023 0.000 1.077 144 L CA 1.941 56.812 54.840 0.052 0.000 0.747 144 L CB -0.775 41.313 42.059 0.048 0.000 0.896 144 L HN 0.107 nan 8.230 nan 0.000 0.432 145 D N -0.492 119.932 120.400 0.039 0.000 2.097 145 D HA -0.172 4.462 4.640 -0.011 0.000 0.195 145 D C 2.218 178.537 176.300 0.031 0.000 0.989 145 D CA 1.473 55.482 54.000 0.015 0.000 0.827 145 D CB 0.207 41.013 40.800 0.011 0.000 0.966 145 D HN 0.072 nan 8.370 nan 0.000 0.456 146 S N -0.725 115.011 115.700 0.059 0.000 2.368 146 S HA -0.109 4.354 4.470 -0.011 0.000 0.224 146 S C 1.993 176.609 174.600 0.026 0.000 1.029 146 S CA 0.871 59.098 58.200 0.045 0.000 0.988 146 S CB -0.223 63.010 63.200 0.055 0.000 0.838 146 S HN 0.340 nan 8.310 nan 0.000 0.462 147 M N 0.952 120.561 119.600 0.015 0.000 2.159 147 M HA -0.107 4.366 4.480 -0.011 0.000 0.263 147 M C 2.437 178.742 176.300 0.009 0.000 1.063 147 M CA 1.438 56.744 55.300 0.010 0.000 1.110 147 M CB -0.501 32.089 32.600 -0.017 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.320 122.501 122.820 0.002 0.000 1.898 148 A HA -0.114 4.199 4.320 -0.011 0.000 0.216 148 A C 2.160 179.761 177.584 0.028 0.000 1.181 148 A CA 1.972 54.014 52.037 0.008 0.000 0.620 148 A CB -1.030 17.957 19.000 -0.021 0.000 0.819 148 A HN 0.420 nan 8.150 nan 0.000 0.442 149 T N 0.326 114.902 114.554 0.036 0.000 2.833 149 T HA -0.011 4.332 4.350 -0.011 0.000 0.269 149 T C 1.337 176.069 174.700 0.054 0.000 1.054 149 T CA 1.172 63.307 62.100 0.058 0.000 1.135 149 T CB -0.274 68.637 68.868 0.071 0.000 0.869 149 T HN 0.349 nan 8.240 nan 0.000 0.466 150 L N 0.436 121.687 121.223 0.046 0.000 2.629 150 L HA 0.310 4.643 4.340 -0.011 0.000 0.230 150 L C 1.630 178.533 176.870 0.056 0.000 1.151 150 L CA -0.063 54.806 54.840 0.049 0.000 0.924 150 L CB -0.375 41.712 42.059 0.047 0.000 1.137 150 L HN 0.393 nan 8.230 nan 0.000 0.457 151 G N 1.052 109.889 108.800 0.062 0.000 2.249 151 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.273 151 G HA3 -0.284 3.669 3.960 -0.011 0.000 0.273 151 G C 0.113 175.064 174.900 0.085 0.000 1.036 151 G CA 0.007 45.161 45.100 0.090 0.000 0.824 151 G HN 0.281 nan 8.290 nan 0.000 0.504 152 L N -0.138 121.105 121.223 0.034 0.000 2.350 152 L HA 0.604 4.937 4.340 -0.011 0.000 0.275 152 L C 1.236 177.996 176.870 -0.183 0.000 1.099 152 L CA -0.331 54.481 54.840 -0.046 0.000 0.808 152 L CB 1.525 43.570 42.059 -0.023 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 3.029 125.598 122.820 -0.419 0.000 2.981 153 A HA 0.554 4.867 4.320 -0.011 0.000 0.280 153 A C 0.304 177.552 177.584 -0.560 0.000 1.743 153 A CA -0.133 51.373 52.037 -0.885 0.000 1.430 153 A CB -0.693 17.648 19.000 -1.099 0.000 1.085 153 A HN 0.705 nan 8.150 nan 0.000 0.597 154 A N 1.537 124.072 122.820 -0.475 0.000 2.355 154 A HA 0.804 5.117 4.320 -0.011 0.000 0.324 154 A C -1.048 176.285 177.584 -0.419 0.000 1.117 154 A CA -0.474 51.355 52.037 -0.347 0.000 0.785 154 A CB 0.840 19.705 19.000 -0.224 0.000 1.254 154 A HN 0.622 nan 8.150 nan 0.000 0.453 155 Y N 0.299 120.536 120.300 -0.105 0.000 2.373 155 Y HA 0.538 5.081 4.550 -0.011 0.000 0.336 155 Y C 0.810 176.797 175.900 0.145 0.000 0.979 155 Y CA -0.561 57.548 58.100 0.016 0.000 1.080 155 Y CB 2.465 41.020 38.460 0.158 0.000 1.190 155 Y HN 0.844 nan 8.280 nan 0.000 0.446 156 G N 2.216 111.102 108.800 0.144 0.000 2.338 156 G HA2 0.463 4.416 3.960 -0.011 0.000 0.298 156 G HA3 0.463 4.416 3.960 -0.011 0.000 0.298 156 G C -1.760 173.169 174.900 0.047 0.000 1.140 156 G CA -0.258 44.965 45.100 0.205 0.000 0.860 156 G HN 0.524 nan 8.290 nan 0.000 0.470 157 Y N 0.959 121.500 120.300 0.401 0.000 2.376 157 Y HA 0.634 5.177 4.550 -0.011 0.000 0.340 157 Y C 0.756 176.968 175.900 0.521 0.000 0.965 157 Y CA 0.196 58.496 58.100 0.333 0.000 1.078 157 Y CB 2.706 41.386 38.460 0.366 0.000 1.193 157 Y HN 0.874 nan 8.280 nan 0.000 0.452 158 G N 2.306 111.436 108.800 0.550 0.000 2.753 158 G HA2 0.600 4.553 3.960 -0.011 0.000 0.303 158 G HA3 0.600 4.553 3.960 -0.011 0.000 0.303 158 G C -1.762 173.379 174.900 0.401 0.000 1.242 158 G CA -0.812 44.634 45.100 0.577 0.000 0.810 158 G HN 0.430 nan 8.290 nan 0.000 0.515 159 I N 0.587 121.290 120.570 0.221 0.000 2.474 159 I HA 0.430 4.593 4.170 -0.011 0.000 0.294 159 I C 0.197 176.222 176.117 -0.153 0.000 1.005 159 I CA -0.727 60.590 61.300 0.028 0.000 1.113 159 I CB 2.268 40.108 38.000 -0.267 0.000 1.289 159 I HN 0.355 nan 8.210 nan 0.000 0.436 160 R N 6.130 126.639 120.500 0.015 0.000 2.608 160 R HA 0.230 4.563 4.340 -0.011 0.000 0.277 160 R C -1.269 175.078 176.300 0.078 0.000 1.341 160 R CA -0.430 55.708 56.100 0.064 0.000 1.199 160 R CB -0.021 30.293 30.300 0.023 0.000 1.156 160 R HN 0.393 nan 8.270 nan 0.000 0.558 161 Y N 1.635 122.100 120.300 0.274 0.000 2.526 161 Y HA -0.078 4.465 4.550 -0.012 0.000 0.330 161 Y C 1.593 177.677 175.900 0.307 0.000 1.156 161 Y CA 0.050 58.302 58.100 0.254 0.000 1.419 161 Y CB 0.825 39.415 38.460 0.218 0.000 1.250 161 Y HN 0.602 nan 8.280 nan 0.000 0.540 162 E N 2.337 122.715 120.200 0.297 0.000 2.106 162 E HA -0.087 4.256 4.350 -0.011 0.000 0.192 162 E C -0.729 175.746 176.600 -0.209 0.000 0.984 162 E CA 0.778 57.152 56.400 -0.044 0.000 0.806 162 E CB 0.154 29.726 29.700 -0.212 0.000 0.750 162 E HN 0.510 nan 8.360 nan 0.000 0.458 163 F N -0.189 119.986 119.950 0.376 0.000 2.477 163 F HA 0.446 4.967 4.527 -0.012 0.000 0.335 163 F C 0.796 176.704 175.800 0.180 0.000 1.130 163 F CA -0.823 57.360 58.000 0.305 0.000 0.948 163 F CB 1.874 40.980 39.000 0.177 0.000 1.154 163 F HN -0.086 nan 8.300 nan 0.000 0.439 164 G N 1.904 110.837 108.800 0.222 0.000 2.546 164 G HA2 0.323 4.276 3.960 -0.011 0.000 0.239 164 G HA3 0.323 4.276 3.960 -0.011 0.000 0.239 164 G C -0.503 174.376 174.900 -0.035 0.000 1.476 164 G CA -0.645 44.429 45.100 -0.043 0.000 1.064 164 G HN 0.551 nan 8.290 nan 0.000 0.561 165 I N 0.882 121.359 120.570 -0.154 0.000 2.710 165 I HA 0.227 4.390 4.170 -0.011 0.000 0.286 165 I C 0.512 176.556 176.117 -0.121 0.000 1.181 165 I CA -1.116 60.067 61.300 -0.195 0.000 1.430 165 I CB -0.219 37.570 38.000 -0.352 0.000 1.367 165 I HN 0.332 nan 8.210 nan 0.000 0.577 166 F N 6.198 126.167 119.950 0.033 0.000 2.595 166 F HA 0.243 4.763 4.527 -0.011 0.000 0.359 166 F C 0.515 176.372 175.800 0.095 0.000 1.147 166 F CA -0.599 57.441 58.000 0.066 0.000 1.341 166 F CB -0.374 38.651 39.000 0.041 0.000 1.104 166 F HN 0.422 nan 8.300 nan 0.000 0.603 167 N N 2.583 121.457 118.700 0.290 0.000 2.470 167 N HA 0.025 4.758 4.740 -0.011 0.000 0.268 167 N C -0.714 175.031 175.510 0.391 0.000 1.136 167 N CA -0.180 53.019 53.050 0.248 0.000 0.961 167 N CB 1.056 39.675 38.487 0.220 0.000 1.067 167 N HN 0.760 nan 8.380 nan 0.000 0.468 168 Q N 2.519 122.521 119.800 0.337 0.000 2.303 168 Q HA 0.195 4.528 4.340 -0.011 0.000 0.257 168 Q C -0.928 175.246 176.000 0.289 0.000 0.941 168 Q CA -0.359 55.681 55.803 0.395 0.000 0.931 168 Q CB 0.724 29.697 28.738 0.393 0.000 1.215 168 Q HN 0.318 nan 8.270 nan 0.000 0.437 169 K N 3.940 124.486 120.400 0.244 0.000 2.203 169 K HA 0.494 4.807 4.320 -0.011 0.000 0.251 169 K C -0.691 176.014 176.600 0.175 0.000 0.944 169 K CA -0.996 55.412 56.287 0.202 0.000 0.829 169 K CB 1.545 34.142 32.500 0.163 0.000 1.125 169 K HN 0.565 nan 8.250 nan 0.000 0.430 170 I N 1.896 122.563 120.570 0.162 0.000 2.330 170 I HA 0.176 4.340 4.170 -0.011 0.000 0.289 170 I C -0.325 175.855 176.117 0.106 0.000 1.001 170 I CA -0.701 60.664 61.300 0.109 0.000 1.193 170 I CB 0.951 38.997 38.000 0.076 0.000 1.345 170 I HN 0.606 nan 8.210 nan 0.000 0.461 171 C N 5.073 124.444 119.300 0.118 0.000 2.346 171 C HA 0.634 5.087 4.460 -0.011 0.000 0.326 171 C C 1.140 176.232 174.990 0.171 0.000 1.224 171 C CA 0.260 59.352 59.018 0.123 0.000 1.408 171 C CB -0.013 27.793 27.740 0.109 0.000 2.089 171 C HN 1.109 nan 8.230 nan 0.000 0.456 172 G N 4.028 112.904 108.800 0.127 0.000 2.283 172 G HA2 0.082 4.035 3.960 -0.011 0.000 0.280 172 G HA3 0.082 4.035 3.960 -0.011 0.000 0.280 172 G C 1.242 176.175 174.900 0.055 0.000 1.029 172 G CA 1.240 46.424 45.100 0.140 0.000 0.840 172 G HN 2.630 nan 8.290 nan 0.000 0.505 173 G N -2.946 105.830 108.800 -0.040 0.000 2.179 173 G HA2 -0.293 3.660 3.960 -0.011 0.000 0.260 173 G HA3 -0.293 3.660 3.960 -0.011 0.000 0.260 173 G C 0.361 175.045 174.900 -0.360 0.000 0.977 173 G CA 0.640 45.598 45.100 -0.236 0.000 0.641 173 G HN 1.182 nan 8.290 nan 0.000 0.533 174 W N 0.935 122.186 121.300 -0.081 0.000 2.512 174 W HA 0.657 5.310 4.660 -0.011 0.000 0.335 174 W C 0.659 177.128 176.519 -0.084 0.000 1.088 174 W CA -0.871 56.420 57.345 -0.091 0.000 1.236 174 W CB 0.826 30.250 29.460 -0.061 0.000 1.307 174 W HN 0.257 nan 8.180 nan 0.000 0.567 175 Q N 3.323 123.218 119.800 0.158 0.000 2.311 175 Q HA 0.194 4.527 4.340 -0.011 0.000 0.272 175 Q C -0.530 175.532 176.000 0.103 0.000 1.012 175 Q CA 0.261 56.132 55.803 0.112 0.000 0.891 175 Q CB 0.520 29.318 28.738 0.100 0.000 1.201 175 Q HN 0.331 nan 8.270 nan 0.000 0.391 176 M N 3.049 122.705 119.600 0.093 0.000 2.528 176 M HA 0.397 4.871 4.480 -0.011 0.000 0.321 176 M C -1.070 175.247 176.300 0.028 0.000 1.153 176 M CA -0.702 54.620 55.300 0.036 0.000 0.951 176 M CB 1.861 34.494 32.600 0.054 0.000 1.705 176 M HN 0.609 nan 8.290 nan 0.000 0.451 177 E N 1.139 121.290 120.200 -0.082 0.000 2.179 177 E HA 0.497 4.840 4.350 -0.011 0.000 0.275 177 E C -1.026 175.577 176.600 0.005 0.000 0.945 177 E CA -0.407 55.917 56.400 -0.125 0.000 0.792 177 E CB 1.841 31.224 29.700 -0.528 0.000 1.125 177 E HN 0.387 nan 8.360 nan 0.000 0.397 178 E N 0.962 121.242 120.200 0.134 0.000 2.266 178 E HA 0.565 4.908 4.350 -0.011 0.000 0.268 178 E C -1.000 175.696 176.600 0.159 0.000 0.879 178 E CA -1.225 55.245 56.400 0.116 0.000 0.762 178 E CB 1.950 31.731 29.700 0.135 0.000 1.199 178 E HN 0.591 nan 8.360 nan 0.000 0.422 179 A N 2.194 125.063 122.820 0.082 0.000 2.540 179 A HA -0.021 4.293 4.320 -0.011 0.000 0.239 179 A C 0.015 177.767 177.584 0.280 0.000 1.061 179 A CA 0.175 52.266 52.037 0.090 0.000 0.758 179 A CB 0.004 18.905 19.000 -0.164 0.000 0.991 179 A HN 0.590 nan 8.150 nan 0.000 0.502 180 D N 1.727 122.366 120.400 0.399 0.000 2.494 180 D HA 0.185 4.819 4.640 -0.011 0.000 0.217 180 D C -0.401 176.247 176.300 0.580 0.000 1.153 180 D CA -0.186 54.061 54.000 0.412 0.000 0.954 180 D CB 0.332 41.310 40.800 0.297 0.000 1.034 180 D HN 0.381 nan 8.370 nan 0.000 0.518 181 D N 3.789 124.485 120.400 0.494 0.000 2.801 181 D HA -0.027 4.606 4.640 -0.011 0.000 0.232 181 D C 1.124 177.561 176.300 0.228 0.000 1.128 181 D CA -0.542 53.668 54.000 0.350 0.000 1.003 181 D CB -0.210 40.788 40.800 0.329 0.000 1.110 181 D HN 0.559 nan 8.370 nan 0.000 0.477 182 W N 1.505 122.844 121.300 0.064 0.000 2.525 182 W HA -0.024 4.629 4.660 -0.011 0.000 0.259 182 W C 0.101 176.675 176.519 0.091 0.000 1.253 182 W CA 0.068 57.472 57.345 0.098 0.000 1.262 182 W CB -0.726 28.796 29.460 0.102 0.000 1.122 182 W HN 0.169 nan 8.180 nan 0.000 0.607 183 L N 0.958 121.825 121.223 -0.593 0.000 2.607 183 L HA 0.192 4.526 4.340 -0.011 0.000 0.228 183 L C 2.737 179.439 176.870 -0.279 0.000 1.123 183 L CA -0.037 54.424 54.840 -0.630 0.000 0.890 183 L CB -0.584 40.973 42.059 -0.836 0.000 1.103 183 L HN -0.111 nan 8.230 nan 0.000 0.468 184 R N 0.462 120.860 120.500 -0.170 0.000 2.096 184 R HA -0.223 4.110 4.340 -0.011 0.000 0.240 184 R C 1.403 177.525 176.300 -0.297 0.000 1.139 184 R CA 2.068 58.026 56.100 -0.237 0.000 0.952 184 R CB -0.172 29.962 30.300 -0.277 0.000 0.854 184 R HN 0.296 nan 8.270 nan 0.000 0.436 185 Y N -0.425 119.888 120.300 0.022 0.000 2.466 185 Y HA 0.323 4.867 4.550 -0.011 0.000 0.272 185 Y C 0.821 176.699 175.900 -0.036 0.000 1.169 185 Y CA 0.475 58.598 58.100 0.038 0.000 1.285 185 Y CB 0.888 39.488 38.460 0.233 0.000 1.078 185 Y HN 0.427 nan 8.280 nan 0.000 0.523 186 G N 1.224 110.060 108.800 0.059 0.000 2.662 186 G HA2 -0.205 3.748 3.960 -0.011 0.000 0.686 186 G HA3 -0.205 3.748 3.960 -0.011 0.000 0.686 186 G C -1.319 173.648 174.900 0.112 0.000 1.271 186 G CA -0.836 44.265 45.100 0.001 0.000 0.816 186 G HN 0.231 nan 8.290 nan 0.000 0.608 187 N N 1.146 119.863 118.700 0.029 0.000 2.573 187 N HA 0.567 5.300 4.740 -0.011 0.000 0.262 187 N C -0.722 174.792 175.510 0.008 0.000 1.029 187 N CA -1.957 51.133 53.050 0.066 0.000 0.882 187 N CB 2.075 40.545 38.487 -0.029 0.000 1.204 187 N HN 0.240 nan 8.380 nan 0.000 0.519 188 P HA 0.010 nan 4.420 nan 0.000 0.226 188 P C 0.652 177.664 177.300 -0.480 0.000 1.153 188 P CA 0.752 63.554 63.100 -0.497 0.000 0.777 188 P CB 0.123 31.209 31.700 -1.023 0.000 0.794 189 W N 1.916 123.235 121.300 0.032 0.000 2.523 189 W HA 0.038 4.691 4.660 -0.011 0.000 0.278 189 W C 1.319 177.885 176.519 0.077 0.000 1.236 189 W CA -0.292 57.067 57.345 0.023 0.000 1.306 189 W CB -0.342 29.131 29.460 0.020 0.000 1.101 189 W HN 0.000 nan 8.180 nan 0.000 0.577 190 E N 1.726 122.106 120.200 0.300 0.000 2.349 190 E HA 0.307 4.650 4.350 -0.011 0.000 0.265 190 E C -0.617 176.157 176.600 0.290 0.000 1.064 190 E CA -0.712 55.874 56.400 0.310 0.000 0.886 190 E CB 1.238 31.132 29.700 0.323 0.000 1.036 190 E HN -0.317 nan 8.360 nan 0.000 0.413 191 K N 1.491 122.077 120.400 0.309 0.000 2.535 191 K HA 0.415 4.728 4.320 -0.011 0.000 0.253 191 K C -1.164 175.463 176.600 0.045 0.000 0.953 191 K CA -0.483 55.915 56.287 0.185 0.000 0.863 191 K CB 1.551 34.158 32.500 0.180 0.000 1.111 191 K HN 0.666 nan 8.250 nan 0.000 0.431 192 A N 4.238 126.992 122.820 -0.110 0.000 2.511 192 A HA 0.311 4.625 4.320 -0.011 0.000 0.242 192 A C -0.276 177.110 177.584 -0.330 0.000 1.069 192 A CA -0.052 51.656 52.037 -0.548 0.000 0.763 192 A CB 0.198 18.865 19.000 -0.554 0.000 1.001 192 A HN 0.673 nan 8.150 nan 0.000 0.498 193 R N 3.296 123.591 120.500 -0.343 0.000 2.748 193 R HA 0.206 4.540 4.340 -0.011 0.000 0.283 193 R C -2.369 173.796 176.300 -0.224 0.000 1.507 193 R CA -1.719 54.252 56.100 -0.215 0.000 1.666 193 R CB 0.682 30.996 30.300 0.023 0.000 1.237 193 R HN 0.571 nan 8.270 nan 0.000 0.633 194 P HA -0.181 nan 4.420 nan 0.000 0.221 194 P C 0.931 178.138 177.300 -0.154 0.000 1.145 194 P CA 1.077 64.089 63.100 -0.147 0.000 0.795 194 P CB 0.385 32.008 31.700 -0.129 0.000 0.775 195 E N -0.264 119.740 120.200 -0.327 0.000 2.268 195 E HA -0.137 4.206 4.350 -0.011 0.000 0.195 195 E C 0.576 176.977 176.600 -0.333 0.000 0.995 195 E CA 0.907 57.059 56.400 -0.414 0.000 0.836 195 E CB -0.803 28.514 29.700 -0.637 0.000 0.763 195 E HN 0.260 nan 8.360 nan 0.000 0.491 196 F N 1.952 121.917 119.950 0.025 0.000 2.684 196 F HA 0.280 4.801 4.527 -0.011 0.000 0.298 196 F C 0.397 176.290 175.800 0.155 0.000 1.120 196 F CA -0.693 57.352 58.000 0.076 0.000 1.332 196 F CB -0.081 38.959 39.000 0.067 0.000 0.986 196 F HN -0.298 nan 8.300 nan 0.000 0.524 197 T N 2.932 117.629 114.554 0.238 0.000 2.928 197 T HA 0.284 4.627 4.350 -0.011 0.000 0.305 197 T C -0.191 174.608 174.700 0.165 0.000 1.035 197 T CA 0.368 62.601 62.100 0.221 0.000 1.145 197 T CB 0.704 69.650 68.868 0.131 0.000 0.963 197 T HN -0.161 nan 8.240 nan 0.000 0.545 198 L N 5.372 126.658 121.223 0.105 0.000 2.388 198 L HA 0.569 4.902 4.340 -0.011 0.000 0.264 198 L C -2.264 174.555 176.870 -0.085 0.000 0.998 198 L CA -2.662 52.167 54.840 -0.018 0.000 0.817 198 L CB 1.937 43.915 42.059 -0.135 0.000 1.338 198 L HN 0.384 nan 8.230 nan 0.000 0.414 199 P HA 0.402 nan 4.420 nan 0.000 0.282 199 P C -1.172 175.980 177.300 -0.246 0.000 1.249 199 P CA -0.393 62.612 63.100 -0.158 0.000 0.806 199 P CB 1.637 33.237 31.700 -0.166 0.000 0.984 200 V N 3.520 123.270 119.914 -0.272 0.000 2.588 200 V HA 0.324 4.437 4.120 -0.011 0.000 0.304 200 V C 0.090 175.943 176.094 -0.401 0.000 1.042 200 V CA -0.616 61.508 62.300 -0.293 0.000 0.877 200 V CB 1.474 33.176 31.823 -0.201 0.000 0.996 200 V HN 0.599 nan 8.190 nan 0.000 0.425 201 H N 3.810 122.716 119.070 -0.274 0.000 2.463 201 H HA 0.630 5.180 4.556 -0.011 0.000 0.332 201 H C -1.286 173.767 175.328 -0.459 0.000 1.127 201 H CA -0.136 55.678 56.048 -0.390 0.000 1.238 201 H CB 1.902 31.196 29.762 -0.780 0.000 1.478 201 H HN 0.484 nan 8.280 nan 0.000 0.499 202 F N 0.306 120.328 119.950 0.119 0.000 2.613 202 F HA 0.210 4.730 4.527 -0.012 0.000 0.314 202 F C -0.295 175.638 175.800 0.222 0.000 1.075 202 F CA -0.546 57.528 58.000 0.124 0.000 0.945 202 F CB 1.153 40.137 39.000 -0.028 0.000 1.310 202 F HN 0.558 nan 8.300 nan 0.000 0.467 203 Y N 0.193 120.798 120.300 0.508 0.000 2.904 203 Y HA 0.001 4.544 4.550 -0.011 0.000 0.466 203 Y C 1.313 177.467 175.900 0.422 0.000 1.202 203 Y CA 0.631 58.947 58.100 0.358 0.000 2.492 203 Y CB -1.897 36.704 38.460 0.236 0.000 1.237 203 Y HN 1.288 nan 8.280 nan 0.000 0.633 204 G N 0.626 109.704 108.800 0.464 0.000 2.593 204 G HA2 0.125 4.078 3.960 -0.011 0.000 0.237 204 G HA3 0.125 4.078 3.960 -0.011 0.000 0.237 204 G C -0.623 174.492 174.900 0.358 0.000 1.312 204 G CA 0.908 46.205 45.100 0.330 0.000 0.896 204 G HN 1.392 nan 8.290 nan 0.000 0.574 205 R N -2.564 118.146 120.500 0.351 0.000 2.716 205 R HA 0.689 5.022 4.340 -0.011 0.000 0.271 205 R C -1.375 175.064 176.300 0.232 0.000 1.028 205 R CA -1.017 55.229 56.100 0.243 0.000 0.883 205 R CB 1.308 31.697 30.300 0.148 0.000 1.250 205 R HN 0.881 nan 8.270 nan 0.000 0.465 206 V N 0.889 120.856 119.914 0.089 0.000 2.394 206 V HA 0.356 4.469 4.120 -0.011 0.000 0.282 206 V C -0.163 175.868 176.094 -0.105 0.000 1.031 206 V CA -0.457 61.821 62.300 -0.037 0.000 0.881 206 V CB 1.295 33.029 31.823 -0.149 0.000 0.982 206 V HN 0.734 nan 8.190 nan 0.000 0.451 207 E N 2.979 123.087 120.200 -0.153 0.000 2.171 207 E HA 0.407 4.750 4.350 -0.011 0.000 0.271 207 E C -1.074 175.371 176.600 -0.259 0.000 0.916 207 E CA -0.716 55.612 56.400 -0.119 0.000 0.774 207 E CB 0.938 30.622 29.700 -0.027 0.000 1.128 207 E HN 0.727 nan 8.360 nan 0.000 0.403 208 H N 2.598 121.682 119.070 0.024 0.000 2.519 208 H HA 0.211 4.760 4.556 -0.011 0.000 0.316 208 H C 0.154 175.491 175.328 0.014 0.000 1.065 208 H CA -0.323 55.734 56.048 0.015 0.000 1.264 208 H CB 1.395 31.162 29.762 0.008 0.000 1.413 208 H HN 0.570 nan 8.280 nan 0.000 0.465 209 T N -0.763 113.850 114.554 0.098 0.000 2.919 209 T HA 0.172 4.515 4.350 -0.011 0.000 0.282 209 T C 1.421 176.158 174.700 0.061 0.000 1.020 209 T CA -0.567 61.571 62.100 0.063 0.000 0.994 209 T CB 1.071 69.960 68.868 0.035 0.000 1.180 209 T HN 0.396 nan 8.240 nan 0.000 0.566 210 S N 0.683 116.408 115.700 0.041 0.000 2.387 210 S HA -0.154 4.310 4.470 -0.011 0.000 0.230 210 S C 1.066 175.686 174.600 0.033 0.000 1.035 210 S CA 1.288 59.507 58.200 0.033 0.000 1.014 210 S CB -0.703 62.511 63.200 0.024 0.000 0.836 210 S HN 0.884 nan 8.310 nan 0.000 0.466 211 Q N 0.962 120.782 119.800 0.034 0.000 2.721 211 Q HA 0.602 4.935 4.340 -0.011 0.000 0.257 211 Q C 0.359 176.380 176.000 0.037 0.000 1.070 211 Q CA -0.425 55.398 55.803 0.032 0.000 0.910 211 Q CB 0.479 29.231 28.738 0.024 0.000 1.163 211 Q HN 0.292 nan 8.270 nan 0.000 0.501 212 G N 1.006 109.838 108.800 0.053 0.000 2.828 212 G HA2 -0.047 3.906 3.960 -0.011 0.000 0.463 212 G HA3 -0.047 3.906 3.960 -0.011 0.000 0.463 212 G C -0.454 174.478 174.900 0.054 0.000 1.394 212 G CA -0.594 44.544 45.100 0.064 0.000 0.862 212 G HN 0.960 nan 8.290 nan 0.000 0.540 213 A N 0.080 122.917 122.820 0.029 0.000 2.351 213 A HA 0.717 5.031 4.320 -0.011 0.000 0.257 213 A C 0.499 178.038 177.584 -0.076 0.000 1.087 213 A CA 0.392 52.369 52.037 -0.100 0.000 0.798 213 A CB 0.657 19.572 19.000 -0.141 0.000 1.033 213 A HN 0.768 nan 8.150 nan 0.000 0.488 214 K N 0.486 120.826 120.400 -0.099 0.000 2.482 214 K HA 0.199 4.513 4.320 -0.011 0.000 0.251 214 K C -1.937 174.697 176.600 0.056 0.000 0.936 214 K CA -0.337 55.940 56.287 -0.016 0.000 0.791 214 K CB 2.170 34.661 32.500 -0.014 0.000 1.213 214 K HN 0.743 nan 8.250 nan 0.000 0.428 215 W N 5.381 126.600 121.300 -0.136 0.000 2.283 215 W HA 0.357 5.010 4.660 -0.012 0.000 0.317 215 W C -0.676 175.781 176.519 -0.103 0.000 1.042 215 W CA -0.799 56.472 57.345 -0.122 0.000 1.348 215 W CB 0.137 29.513 29.460 -0.140 0.000 1.216 215 W HN 0.295 nan 8.180 nan 0.000 0.404 216 V N 2.693 122.655 119.914 0.080 0.000 3.126 216 V HA 0.618 4.731 4.120 -0.011 0.000 0.314 216 V C -0.171 175.902 176.094 -0.035 0.000 1.138 216 V CA -0.958 61.316 62.300 -0.044 0.000 1.034 216 V CB 1.985 33.812 31.823 0.006 0.000 1.075 216 V HN 0.451 nan 8.190 nan 0.000 0.442 217 D N 0.163 120.544 120.400 -0.033 0.000 2.772 217 D HA -0.138 4.496 4.640 -0.011 0.000 0.233 217 D C 0.543 176.851 176.300 0.014 0.000 1.143 217 D CA 1.507 55.511 54.000 0.007 0.000 0.700 217 D CB -1.679 39.147 40.800 0.044 0.000 1.076 217 D HN 1.300 nan 8.370 nan 0.000 0.430 218 T N -2.833 111.685 114.554 -0.061 0.000 2.882 218 T HA 0.466 4.809 4.350 -0.011 0.000 0.287 218 T C 0.479 175.240 174.700 0.101 0.000 1.014 218 T CA -0.728 61.352 62.100 -0.033 0.000 1.049 218 T CB 1.935 70.632 68.868 -0.286 0.000 1.001 218 T HN 0.041 nan 8.240 nan 0.000 0.525 219 Q N 0.553 120.483 119.800 0.216 0.000 2.243 219 Q HA 0.553 4.886 4.340 -0.011 0.000 0.252 219 Q C -0.960 175.173 176.000 0.222 0.000 0.909 219 Q CA -0.819 55.141 55.803 0.261 0.000 0.922 219 Q CB 1.766 30.744 28.738 0.400 0.000 1.215 219 Q HN 0.509 nan 8.270 nan 0.000 0.427 220 V N 3.220 123.231 119.914 0.162 0.000 2.435 220 V HA 0.408 4.521 4.120 -0.011 0.000 0.290 220 V C -0.364 175.804 176.094 0.123 0.000 1.030 220 V CA -0.635 61.671 62.300 0.010 0.000 0.881 220 V CB 1.727 33.501 31.823 -0.082 0.000 0.983 220 V HN 0.486 nan 8.190 nan 0.000 0.445 221 V N 6.003 125.991 119.914 0.123 0.000 2.604 221 V HA 0.489 4.602 4.120 -0.011 0.000 0.305 221 V C -0.149 176.024 176.094 0.131 0.000 1.043 221 V CA -0.648 61.740 62.300 0.146 0.000 0.888 221 V CB 1.939 33.926 31.823 0.274 0.000 0.995 221 V HN 0.638 nan 8.190 nan 0.000 0.429 222 L N 3.543 124.835 121.223 0.116 0.000 2.350 222 L HA 0.735 5.068 4.340 -0.011 0.000 0.275 222 L C 0.457 177.493 176.870 0.278 0.000 1.099 222 L CA -0.310 54.607 54.840 0.128 0.000 0.808 222 L CB 1.280 43.396 42.059 0.094 0.000 1.149 222 L HN 0.757 nan 8.230 nan 0.000 0.442 223 A N 5.031 127.964 122.820 0.187 0.000 2.267 223 A HA 0.588 4.901 4.320 -0.011 0.000 0.315 223 A C -0.498 177.347 177.584 0.435 0.000 1.297 223 A CA -0.478 51.708 52.037 0.249 0.000 0.865 223 A CB 0.963 19.658 19.000 -0.509 0.000 1.165 223 A HN 0.786 nan 8.150 nan 0.000 0.513 224 M N 5.930 125.848 119.600 0.530 0.000 2.129 224 M HA 0.469 4.942 4.480 -0.011 0.000 0.348 224 M C -2.622 173.944 176.300 0.443 0.000 1.116 224 M CA -2.135 53.419 55.300 0.423 0.000 1.022 224 M CB 1.987 34.751 32.600 0.274 0.000 1.599 224 M HN 0.342 nan 8.290 nan 0.000 0.449 225 P HA 0.262 nan 4.420 nan 0.000 0.282 225 P C -1.936 175.308 177.300 -0.094 0.000 1.249 225 P CA 0.001 63.019 63.100 -0.137 0.000 0.806 225 P CB 0.517 31.959 31.700 -0.431 0.000 0.984 226 Y N 0.473 120.717 120.300 -0.092 0.000 2.350 226 Y HA 0.339 4.882 4.550 -0.012 0.000 0.338 226 Y C 0.204 176.096 175.900 -0.013 0.000 0.961 226 Y CA -0.307 57.792 58.100 -0.002 0.000 1.100 226 Y CB 1.363 39.851 38.460 0.047 0.000 1.179 226 Y HN 0.217 nan 8.280 nan 0.000 0.454 227 D N 1.796 122.309 120.400 0.188 0.000 2.168 227 D HA 0.428 5.061 4.640 -0.011 0.000 0.246 227 D C -0.626 175.896 176.300 0.371 0.000 1.050 227 D CA -0.241 53.906 54.000 0.245 0.000 0.857 227 D CB 1.798 42.770 40.800 0.287 0.000 1.169 227 D HN 0.373 nan 8.370 nan 0.000 0.453 228 T N 3.021 117.706 114.554 0.218 0.000 2.824 228 T HA 0.473 4.816 4.350 -0.011 0.000 0.282 228 T C -2.534 172.016 174.700 -0.250 0.000 0.993 228 T CA -1.460 60.671 62.100 0.052 0.000 0.967 228 T CB 2.060 70.951 68.868 0.038 0.000 0.960 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.327 nan 4.420 nan 0.000 0.275 229 P C -1.023 175.947 177.300 -0.551 0.000 1.228 229 P CA -0.395 62.032 63.100 -1.121 0.000 0.786 229 P CB 0.812 31.630 31.700 -1.470 0.000 0.927 230 V N 4.786 124.433 119.914 -0.445 0.000 2.340 230 V HA 0.261 4.374 4.120 -0.011 0.000 0.277 230 V C -2.132 173.828 176.094 -0.223 0.000 1.017 230 V CA -1.865 60.271 62.300 -0.273 0.000 0.820 230 V CB 1.393 33.103 31.823 -0.188 0.000 1.028 230 V HN 0.545 nan 8.190 nan 0.000 0.436 231 P HA 0.285 nan 4.420 nan 0.000 0.280 231 P C 0.341 177.592 177.300 -0.082 0.000 1.244 231 P CA 0.292 63.305 63.100 -0.145 0.000 0.784 231 P CB 1.578 33.190 31.700 -0.147 0.000 0.913 232 G N 1.987 110.758 108.800 -0.049 0.000 2.562 232 G HA2 0.169 4.122 3.960 -0.011 0.000 0.275 232 G HA3 0.169 4.122 3.960 -0.011 0.000 0.275 232 G C -1.204 173.711 174.900 0.024 0.000 1.196 232 G CA -0.615 44.486 45.100 0.001 0.000 0.908 232 G HN 0.510 nan 8.290 nan 0.000 0.524 233 Y N 0.983 121.248 120.300 -0.058 0.000 2.624 233 Y HA 0.233 4.776 4.550 -0.012 0.000 0.354 233 Y C 1.351 177.217 175.900 -0.057 0.000 1.051 233 Y CA -0.137 57.924 58.100 -0.065 0.000 1.377 233 Y CB -0.104 38.316 38.460 -0.067 0.000 1.168 233 Y HN 0.734 nan 8.280 nan 0.000 0.525 234 R N 3.042 123.259 120.500 -0.472 0.000 3.627 234 R HA -0.325 4.008 4.340 -0.011 0.000 0.281 234 R C 0.097 176.266 176.300 -0.218 0.000 1.140 234 R CA 1.355 57.199 56.100 -0.427 0.000 0.761 234 R CB -2.100 27.785 30.300 -0.691 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -0.746 117.876 118.700 -0.129 0.000 2.177 235 N HA 0.041 4.774 4.740 -0.011 0.000 0.218 235 N C -0.119 175.352 175.510 -0.066 0.000 1.182 235 N CA -0.485 52.520 53.050 -0.073 0.000 0.882 235 N CB 0.479 38.948 38.487 -0.029 0.000 1.052 235 N HN 0.086 nan 8.380 nan 0.000 0.519 236 N N -0.099 118.557 118.700 -0.074 0.000 2.713 236 N HA -0.136 4.597 4.740 -0.011 0.000 0.251 236 N C -0.929 174.549 175.510 -0.054 0.000 1.117 236 N CA 0.598 53.612 53.050 -0.060 0.000 0.770 236 N CB -1.346 37.105 38.487 -0.059 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.133 121.020 119.914 -0.045 0.000 2.465 237 V HA 0.405 4.518 4.120 -0.011 0.000 0.279 237 V C 0.623 176.696 176.094 -0.036 0.000 1.045 237 V CA -0.451 61.831 62.300 -0.029 0.000 0.938 237 V CB 2.070 33.901 31.823 0.015 0.000 0.986 237 V HN -0.022 nan 8.190 nan 0.000 0.467 238 V N 5.389 125.286 119.914 -0.028 0.000 2.419 238 V HA 0.446 4.559 4.120 -0.011 0.000 0.287 238 V C -0.120 175.975 176.094 0.001 0.000 1.017 238 V CA -0.857 61.399 62.300 -0.073 0.000 0.844 238 V CB 1.483 33.233 31.823 -0.122 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.928 120.598 118.700 -0.050 0.000 2.476 239 N HA 0.587 5.320 4.740 -0.011 0.000 0.287 239 N C -0.080 175.417 175.510 -0.021 0.000 1.262 239 N CA -0.321 52.720 53.050 -0.015 0.000 0.980 239 N CB 1.241 39.679 38.487 -0.081 0.000 1.163 239 N HN 0.590 nan 8.380 nan 0.000 0.592 240 T N 0.737 115.283 114.554 -0.013 0.000 2.841 240 T HA 0.406 4.749 4.350 -0.011 0.000 0.283 240 T C -0.346 174.321 174.700 -0.055 0.000 1.000 240 T CA -0.511 61.651 62.100 0.102 0.000 0.977 240 T CB 1.121 70.167 68.868 0.296 0.000 0.979 240 T HN 0.297 nan 8.240 nan 0.000 0.446 241 M N 3.718 123.253 119.600 -0.109 0.000 2.101 241 M HA 0.515 4.989 4.480 -0.011 0.000 0.340 241 M C -0.518 175.643 176.300 -0.231 0.000 1.057 241 M CA -0.747 54.401 55.300 -0.253 0.000 0.984 241 M CB 0.767 33.158 32.600 -0.349 0.000 1.560 241 M HN 0.486 nan 8.290 nan 0.000 0.435 242 R N 5.952 126.211 120.500 -0.402 0.000 2.265 242 R HA 0.618 4.951 4.340 -0.011 0.000 0.328 242 R C -1.956 174.073 176.300 -0.451 0.000 0.969 242 R CA -0.426 55.394 56.100 -0.466 0.000 0.832 242 R CB 0.862 30.714 30.300 -0.745 0.000 1.139 242 R HN 0.814 nan 8.270 nan 0.000 0.457 243 L N 5.025 126.084 121.223 -0.274 0.000 2.322 243 L HA 0.506 4.840 4.340 -0.011 0.000 0.281 243 L C -0.813 176.014 176.870 -0.070 0.000 1.014 243 L CA -0.901 53.872 54.840 -0.112 0.000 0.815 243 L CB 1.490 43.570 42.059 0.035 0.000 1.247 243 L HN 0.579 nan 8.230 nan 0.000 0.421 244 W N 1.840 123.268 121.300 0.214 0.000 2.365 244 W HA 0.496 5.149 4.660 -0.011 0.000 0.316 244 W C 0.516 177.263 176.519 0.381 0.000 1.164 244 W CA -0.228 57.263 57.345 0.243 0.000 1.204 244 W CB 1.565 31.026 29.460 0.002 0.000 1.213 244 W HN 0.342 nan 8.180 nan 0.000 0.539 245 S N 1.887 117.995 115.700 0.680 0.000 2.500 245 S HA 0.775 5.238 4.470 -0.011 0.000 0.301 245 S C -0.507 174.424 174.600 0.552 0.000 1.092 245 S CA -0.715 57.787 58.200 0.504 0.000 1.030 245 S CB 0.674 64.113 63.200 0.397 0.000 1.031 245 S HN 0.531 nan 8.310 nan 0.000 0.483 246 A N 4.931 127.915 122.820 0.273 0.000 2.366 246 A HA 0.666 4.979 4.320 -0.011 0.000 0.272 246 A C -0.216 177.420 177.584 0.086 0.000 1.135 246 A CA -0.324 51.765 52.037 0.087 0.000 0.804 246 A CB 0.336 19.113 19.000 -0.371 0.000 1.064 246 A HN 0.686 nan 8.150 nan 0.000 0.499 247 K N 1.144 121.605 120.400 0.102 0.000 2.422 247 K HA 0.616 4.929 4.320 -0.011 0.000 0.251 247 K C -0.423 176.143 176.600 -0.056 0.000 0.933 247 K CA -0.466 55.841 56.287 0.032 0.000 0.798 247 K CB 2.356 34.907 32.500 0.085 0.000 1.238 247 K HN 0.807 nan 8.250 nan 0.000 0.428 248 A N 3.751 126.474 122.820 -0.161 0.000 2.371 248 A HA 0.461 4.775 4.320 -0.011 0.000 0.257 248 A C -2.086 175.435 177.584 -0.105 0.000 1.089 248 A CA -1.039 50.805 52.037 -0.323 0.000 0.794 248 A CB -0.340 18.298 19.000 -0.604 0.000 1.029 248 A HN 0.351 nan 8.150 nan 0.000 0.488 249 P HA 0.116 nan 4.420 nan 0.000 0.272 249 P C 0.012 177.389 177.300 0.129 0.000 1.230 249 P CA -0.362 62.789 63.100 0.084 0.000 0.788 249 P CB 0.577 32.356 31.700 0.132 0.000 0.949 250 N N 0.825 119.587 118.700 0.103 0.000 2.396 250 N HA -0.109 4.624 4.740 -0.011 0.000 0.180 250 N C 0.753 176.339 175.510 0.125 0.000 1.028 250 N CA 1.022 54.134 53.050 0.104 0.000 0.893 250 N CB -0.493 38.038 38.487 0.074 0.000 0.967 250 N HN 0.540 nan 8.380 nan 0.000 0.440 251 D N -0.862 119.614 120.400 0.127 0.000 2.328 251 D HA -0.071 4.562 4.640 -0.011 0.000 0.226 251 D C 0.094 176.470 176.300 0.127 0.000 1.066 251 D CA -0.490 53.576 54.000 0.109 0.000 0.861 251 D CB -0.964 39.882 40.800 0.077 0.000 0.912 251 D HN 0.059 nan 8.370 nan 0.000 0.521 252 F N 1.945 121.911 119.950 0.025 0.000 2.602 252 F HA 0.067 4.587 4.527 -0.011 0.000 0.385 252 F C 0.767 176.574 175.800 0.011 0.000 1.063 252 F CA 0.229 58.241 58.000 0.020 0.000 1.233 252 F CB 0.113 39.125 39.000 0.020 0.000 1.067 252 F HN -0.161 nan 8.300 nan 0.000 0.564 253 N N 2.383 120.723 118.700 -0.600 0.000 2.809 253 N HA -0.283 4.450 4.740 -0.011 0.000 0.244 253 N C -0.721 174.704 175.510 -0.143 0.000 1.018 253 N CA 1.558 54.371 53.050 -0.396 0.000 0.917 253 N CB -1.245 37.035 38.487 -0.345 0.000 1.130 253 N HN 0.545 nan 8.380 nan 0.000 0.591 262 Y N 1.843 122.145 120.300 0.004 0.000 2.097 262 Y HA -0.044 4.499 4.550 -0.011 0.000 0.282 262 Y C 2.721 178.631 175.900 0.017 0.000 1.152 262 Y CA 2.312 60.418 58.100 0.010 0.000 1.136 262 Y CB -0.133 38.333 38.460 0.010 0.000 0.975 262 Y HN 0.193 nan 8.280 nan 0.000 0.498 263 I N 0.458 120.962 120.570 -0.110 0.000 2.163 263 I HA -0.299 3.864 4.170 -0.011 0.000 0.243 263 I C 2.375 178.393 176.117 -0.164 0.000 1.085 263 I CA 1.781 62.967 61.300 -0.190 0.000 1.347 263 I CB -1.461 36.532 38.000 -0.012 0.000 1.044 263 I HN 0.338 nan 8.210 nan 0.000 0.408 264 Q N 1.104 120.855 119.800 -0.081 0.000 2.124 264 Q HA -0.104 4.229 4.340 -0.011 0.000 0.202 264 Q C 2.242 178.204 176.000 -0.063 0.000 0.977 264 Q CA 2.157 57.928 55.803 -0.053 0.000 0.850 264 Q CB -0.335 28.389 28.738 -0.024 0.000 0.901 264 Q HN 0.477 nan 8.270 nan 0.000 0.429 265 A N -0.803 121.961 122.820 -0.093 0.000 1.933 265 A HA -0.135 4.178 4.320 -0.011 0.000 0.218 265 A C 2.231 179.782 177.584 -0.055 0.000 1.175 265 A CA 1.671 53.664 52.037 -0.074 0.000 0.628 265 A CB -0.742 18.213 19.000 -0.074 0.000 0.814 265 A HN 0.267 nan 8.150 nan 0.000 0.444 266 V N 0.154 119.961 119.914 -0.179 0.000 2.358 266 V HA -0.222 3.892 4.120 -0.011 0.000 0.246 266 V C 2.511 178.577 176.094 -0.047 0.000 1.047 266 V CA 1.787 64.004 62.300 -0.138 0.000 1.035 266 V CB -0.769 30.880 31.823 -0.290 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.165 121.025 121.223 -0.055 0.000 2.131 267 L HA -0.153 4.180 4.340 -0.011 0.000 0.210 267 L C 1.995 178.881 176.870 0.028 0.000 1.092 267 L CA 1.259 56.090 54.840 -0.015 0.000 0.759 267 L CB -0.678 41.369 42.059 -0.020 0.000 0.903 267 L HN 0.326 nan 8.230 nan 0.000 0.435 268 D N -0.002 120.433 120.400 0.058 0.000 2.378 268 D HA -0.072 4.561 4.640 -0.011 0.000 0.227 268 D C 2.101 178.547 176.300 0.243 0.000 1.012 268 D CA 0.424 54.501 54.000 0.128 0.000 0.905 268 D CB -0.004 40.864 40.800 0.113 0.000 0.895 268 D HN 0.214 nan 8.370 nan 0.000 0.532 269 R N 0.914 121.520 120.500 0.176 0.000 2.159 269 R HA -0.134 4.199 4.340 -0.011 0.000 0.237 269 R C 1.860 178.108 176.300 -0.086 0.000 1.131 269 R CA 1.062 57.166 56.100 0.007 0.000 0.982 269 R CB -0.279 30.006 30.300 -0.025 0.000 0.868 269 R HN 0.267 nan 8.270 nan 0.000 0.453 270 N N 1.292 119.989 118.700 -0.004 0.000 2.137 270 N HA -0.207 4.526 4.740 -0.011 0.000 0.190 270 N C 1.448 176.951 175.510 -0.012 0.000 1.017 270 N CA 1.485 54.532 53.050 -0.006 0.000 0.859 270 N CB -0.398 38.100 38.487 0.018 0.000 1.002 270 N HN 0.097 nan 8.380 nan 0.000 0.428 271 L N 0.873 122.112 121.223 0.026 0.000 2.012 271 L HA -0.038 4.295 4.340 -0.011 0.000 0.210 271 L C 2.784 179.639 176.870 -0.025 0.000 1.073 271 L CA 1.798 56.663 54.840 0.042 0.000 0.748 271 L CB -1.460 40.681 42.059 0.137 0.000 0.891 271 L HN 0.404 nan 8.230 nan 0.000 0.431 272 A N -1.025 121.715 122.820 -0.133 0.000 1.898 272 A HA -0.169 4.144 4.320 -0.011 0.000 0.216 272 A C 2.146 179.619 177.584 -0.185 0.000 1.181 272 A CA 1.415 53.320 52.037 -0.219 0.000 0.620 272 A CB -0.436 18.255 19.000 -0.514 0.000 0.819 272 A HN 0.529 nan 8.150 nan 0.000 0.442 273 E N 0.001 120.108 120.200 -0.156 0.000 2.427 273 E HA -0.077 4.266 4.350 -0.011 0.000 0.196 273 E C 1.084 177.647 176.600 -0.060 0.000 1.028 273 E CA 0.253 56.592 56.400 -0.103 0.000 0.864 273 E CB -0.136 29.523 29.700 -0.067 0.000 0.813 273 E HN 0.462 nan 8.360 nan 0.000 0.514 274 N N 1.103 119.776 118.700 -0.044 0.000 2.364 274 N HA -0.111 4.622 4.740 -0.011 0.000 0.183 274 N C 1.634 177.143 175.510 -0.002 0.000 1.022 274 N CA 0.665 53.716 53.050 0.002 0.000 0.883 274 N CB -0.079 38.415 38.487 0.012 0.000 0.965 274 N HN 0.255 nan 8.380 nan 0.000 0.438 275 I N 0.450 120.960 120.570 -0.099 0.000 2.194 275 I HA -0.274 3.889 4.170 -0.011 0.000 0.246 275 I C 1.531 177.618 176.117 -0.050 0.000 1.093 275 I CA 1.382 62.593 61.300 -0.148 0.000 1.355 275 I CB -0.257 37.485 38.000 -0.429 0.000 1.046 275 I HN 0.143 nan 8.210 nan 0.000 0.413 276 S N -0.416 115.246 115.700 -0.063 0.000 2.614 276 S HA 0.166 4.630 4.470 -0.011 0.000 0.230 276 S C 1.510 176.243 174.600 0.222 0.000 0.952 276 S CA -0.475 57.776 58.200 0.085 0.000 0.949 276 S CB 0.191 63.428 63.200 0.062 0.000 0.786 276 S HN 0.223 nan 8.310 nan 0.000 0.478 277 R N 1.208 121.843 120.500 0.225 0.000 2.073 277 R HA 0.287 4.620 4.340 -0.011 0.000 0.229 277 R C 0.331 176.884 176.300 0.422 0.000 1.120 277 R CA 1.042 57.315 56.100 0.288 0.000 0.967 277 R CB -0.189 30.248 30.300 0.227 0.000 0.862 277 R HN 0.387 nan 8.270 nan 0.000 0.436 278 V N 0.381 120.512 119.914 0.362 0.000 2.891 278 V HA 0.332 4.445 4.120 -0.011 0.000 0.304 278 V C -1.628 174.451 176.094 -0.025 0.000 1.171 278 V CA -1.371 61.066 62.300 0.228 0.000 0.943 278 V CB 1.763 33.647 31.823 0.102 0.000 1.037 278 V HN 0.135 nan 8.190 nan 0.000 0.427 279 L N 6.982 127.953 121.223 -0.419 0.000 2.410 279 L HA 0.429 4.762 4.340 -0.011 0.000 0.273 279 L C -0.741 175.979 176.870 -0.250 0.000 1.144 279 L CA 0.507 54.900 54.840 -0.746 0.000 0.863 279 L CB 0.271 41.831 42.059 -0.831 0.000 1.140 279 L HN 0.675 nan 8.230 nan 0.000 0.463 280 Y N 7.237 127.453 120.300 -0.140 0.000 2.650 280 Y HA 0.152 4.695 4.550 -0.012 0.000 0.331 280 Y C -1.304 174.589 175.900 -0.011 0.000 1.165 280 Y CA -1.029 57.058 58.100 -0.022 0.000 1.473 280 Y CB 0.299 38.771 38.460 0.020 0.000 1.224 280 Y HN 0.582 nan 8.280 nan 0.000 0.533 281 P HA 0.021 nan 4.420 nan 0.000 0.253 281 P C -0.833 176.595 177.300 0.213 0.000 1.459 281 P CA 0.130 63.334 63.100 0.174 0.000 0.908 281 P CB 0.167 32.060 31.700 0.321 0.000 1.470 282 N N 1.299 120.135 118.700 0.227 0.000 2.499 282 N HA 0.175 4.908 4.740 -0.011 0.000 0.281 282 N C -0.634 175.014 175.510 0.230 0.000 1.098 282 N CA 0.234 53.437 53.050 0.255 0.000 0.979 282 N CB 1.111 39.790 38.487 0.320 0.000 1.121 282 N HN 0.073 nan 8.380 nan 0.000 0.466 283 D N 0.515 121.078 120.400 0.272 0.000 2.492 283 D HA 0.222 4.855 4.640 -0.011 0.000 0.248 283 D C -0.342 176.165 176.300 0.344 0.000 1.101 283 D CA -0.404 53.752 54.000 0.261 0.000 0.840 283 D CB 0.385 41.331 40.800 0.244 0.000 1.209 283 D HN 0.322 nan 8.370 nan 0.000 0.524 284 N N 2.725 121.597 118.700 0.286 0.000 2.735 284 N HA -0.241 4.492 4.740 -0.011 0.000 0.248 284 N C -1.395 174.350 175.510 0.392 0.000 1.083 284 N CA 0.771 53.984 53.050 0.272 0.000 0.703 284 N CB -0.812 37.802 38.487 0.212 0.000 1.005 284 N HN 0.416 nan 8.380 nan 0.000 0.550 285 F N 0.621 120.674 119.950 0.172 0.000 2.651 285 F HA 0.378 4.898 4.527 -0.012 0.000 0.329 285 F C -1.206 174.670 175.800 0.127 0.000 1.186 285 F CA -1.035 57.041 58.000 0.127 0.000 1.046 285 F CB 0.783 39.818 39.000 0.059 0.000 1.296 285 F HN -0.023 nan 8.300 nan 0.000 0.497 286 F N 6.217 125.777 119.950 -0.649 0.000 2.411 286 F HA 0.438 4.958 4.527 -0.012 0.000 0.355 286 F C -0.310 175.091 175.800 -0.664 0.000 1.117 286 F CA -0.073 57.605 58.000 -0.537 0.000 1.139 286 F CB 0.648 39.362 39.000 -0.476 0.000 1.120 286 F HN 0.573 nan 8.300 nan 0.000 0.493 287 E N 4.355 123.962 120.200 -0.988 0.000 2.145 287 E HA 0.298 4.642 4.350 -0.011 0.000 0.262 287 E C -0.153 175.712 176.600 -1.225 0.000 0.883 287 E CA -0.742 55.158 56.400 -0.834 0.000 0.748 287 E CB 1.322 30.897 29.700 -0.207 0.000 1.140 287 E HN 0.922 nan 8.360 nan 0.000 0.417 288 G N 5.316 113.346 108.800 -1.284 0.000 3.316 288 G HA2 0.046 3.999 3.960 -0.011 0.000 0.255 288 G HA3 0.046 3.999 3.960 -0.011 0.000 0.255 288 G C -0.053 174.762 174.900 -0.142 0.000 0.880 288 G CA -0.246 44.270 45.100 -0.974 0.000 1.956 288 G HN 0.207 nan 8.290 nan 0.000 0.634 289 K N 0.475 120.854 120.400 -0.036 0.000 2.130 289 K HA 0.198 4.511 4.320 -0.011 0.000 0.268 289 K C 0.938 177.669 176.600 0.218 0.000 0.983 289 K CA -0.668 55.687 56.287 0.114 0.000 0.893 289 K CB 2.260 34.823 32.500 0.105 0.000 1.066 289 K HN 0.400 nan 8.250 nan 0.000 0.450 290 E N 1.538 121.837 120.200 0.166 0.000 2.085 290 E HA -0.220 4.123 4.350 -0.011 0.000 0.194 290 E C 1.537 178.164 176.600 0.045 0.000 0.994 290 E CA 1.152 57.605 56.400 0.088 0.000 0.801 290 E CB 0.165 29.919 29.700 0.090 0.000 0.743 290 E HN 0.391 nan 8.360 nan 0.000 0.453 291 L N 1.289 122.581 121.223 0.115 0.000 2.079 291 L HA -0.176 4.157 4.340 -0.011 0.000 0.210 291 L C 2.463 179.419 176.870 0.144 0.000 1.081 291 L CA 1.775 56.699 54.840 0.140 0.000 0.752 291 L CB -0.497 41.715 42.059 0.255 0.000 0.896 291 L HN 0.005 nan 8.230 nan 0.000 0.433 292 R N -0.622 119.903 120.500 0.041 0.000 2.081 292 R HA -0.163 4.170 4.340 -0.011 0.000 0.235 292 R C 2.112 178.445 176.300 0.055 0.000 1.131 292 R CA 1.838 57.891 56.100 -0.079 0.000 0.960 292 R CB -0.990 29.039 30.300 -0.452 0.000 0.856 292 R HN 0.406 nan 8.270 nan 0.000 0.436 293 L N 0.921 122.093 121.223 -0.085 0.000 2.083 293 L HA -0.087 4.246 4.340 -0.011 0.000 0.209 293 L C 1.690 178.497 176.870 -0.105 0.000 1.083 293 L CA 1.908 56.498 54.840 -0.416 0.000 0.752 293 L CB -0.416 41.085 42.059 -0.931 0.000 0.899 293 L HN 0.163 nan 8.230 nan 0.000 0.433 294 K N -0.966 119.414 120.400 -0.033 0.000 2.057 294 K HA -0.203 4.111 4.320 -0.011 0.000 0.207 294 K C 2.089 178.847 176.600 0.263 0.000 1.049 294 K CA 1.831 58.160 56.287 0.071 0.000 0.931 294 K CB -0.208 32.152 32.500 -0.235 0.000 0.714 294 K HN 0.515 nan 8.250 nan 0.000 0.440 295 Q N 0.680 120.602 119.800 0.204 0.000 2.050 295 Q HA -0.197 4.136 4.340 -0.011 0.000 0.202 295 Q C 1.982 178.181 176.000 0.332 0.000 0.980 295 Q CA 1.504 57.487 55.803 0.300 0.000 0.840 295 Q CB -0.049 28.884 28.738 0.324 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.424 296 E N -0.204 120.144 120.200 0.247 0.000 2.077 296 E HA -0.215 4.128 4.350 -0.011 0.000 0.193 296 E C 1.744 178.463 176.600 0.197 0.000 0.989 296 E CA 1.063 57.593 56.400 0.216 0.000 0.800 296 E CB -0.148 29.657 29.700 0.176 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.409 120.759 120.300 0.083 0.000 2.220 297 Y HA -0.205 4.338 4.550 -0.011 0.000 0.291 297 Y C 1.985 177.926 175.900 0.068 0.000 1.129 297 Y CA 1.034 59.143 58.100 0.014 0.000 1.161 297 Y CB -0.371 38.065 38.460 -0.040 0.000 0.997 297 Y HN 0.010 nan 8.280 nan 0.000 0.522 298 F N -0.300 119.661 119.950 0.018 0.000 2.091 298 F HA -0.265 4.255 4.527 -0.011 0.000 0.299 298 F C 2.482 178.142 175.800 -0.233 0.000 1.103 298 F CA 2.028 59.982 58.000 -0.076 0.000 1.228 298 F CB -1.065 38.036 39.000 0.168 0.000 0.984 298 F HN -0.042 nan 8.300 nan 0.000 0.477 299 V N -0.540 119.339 119.914 -0.059 0.000 2.358 299 V HA -0.199 3.914 4.120 -0.011 0.000 0.246 299 V C 2.208 178.158 176.094 -0.240 0.000 1.047 299 V CA 1.930 64.165 62.300 -0.109 0.000 1.035 299 V CB -0.369 31.583 31.823 0.215 0.000 0.658 299 V HN 0.250 nan 8.190 nan 0.000 0.452 300 V N 0.461 120.242 119.914 -0.221 0.000 2.307 300 V HA -0.184 3.929 4.120 -0.011 0.000 0.245 300 V C 2.800 178.638 176.094 -0.426 0.000 1.045 300 V CA 2.146 64.299 62.300 -0.246 0.000 1.024 300 V CB -1.080 30.660 31.823 -0.138 0.000 0.651 300 V HN 0.645 nan 8.190 nan 0.000 0.449 301 A N -0.168 122.226 122.820 -0.709 0.000 1.873 301 A HA -0.079 4.234 4.320 -0.011 0.000 0.215 301 A C 2.412 179.623 177.584 -0.621 0.000 1.186 301 A CA 2.037 53.648 52.037 -0.710 0.000 0.616 301 A CB -0.823 17.545 19.000 -1.052 0.000 0.823 301 A HN 0.554 nan 8.150 nan 0.000 0.442 302 A N -0.975 121.314 122.820 -0.884 0.000 1.877 302 A HA -0.077 4.236 4.320 -0.011 0.000 0.216 302 A C 2.318 179.409 177.584 -0.822 0.000 1.186 302 A CA 2.323 53.649 52.037 -1.185 0.000 0.620 302 A CB -1.336 16.279 19.000 -2.308 0.000 0.822 302 A HN 0.427 nan 8.150 nan 0.000 0.443 303 T N 0.466 114.671 114.554 -0.580 0.000 2.684 303 T HA -0.117 4.226 4.350 -0.011 0.000 0.267 303 T C 1.830 176.260 174.700 -0.451 0.000 1.036 303 T CA 1.530 63.396 62.100 -0.390 0.000 1.148 303 T CB -0.403 68.238 68.868 -0.378 0.000 0.863 303 T HN 0.337 nan 8.240 nan 0.000 0.436 304 L N 0.641 121.648 121.223 -0.361 0.000 2.083 304 L HA -0.156 4.177 4.340 -0.011 0.000 0.209 304 L C 2.930 179.683 176.870 -0.196 0.000 1.083 304 L CA 1.356 56.036 54.840 -0.266 0.000 0.752 304 L CB -0.494 41.450 42.059 -0.191 0.000 0.899 304 L HN 0.350 nan 8.230 nan 0.000 0.433 305 Q N -0.556 119.126 119.800 -0.197 0.000 2.084 305 Q HA -0.260 4.073 4.340 -0.011 0.000 0.202 305 Q C 1.802 177.763 176.000 -0.065 0.000 0.978 305 Q CA 1.824 57.559 55.803 -0.113 0.000 0.844 305 Q CB -0.122 28.535 28.738 -0.134 0.000 0.898 305 Q HN 0.401 nan 8.270 nan 0.000 0.426 306 D N 0.450 120.803 120.400 -0.078 0.000 2.117 306 D HA -0.112 4.522 4.640 -0.011 0.000 0.197 306 D C 1.688 177.928 176.300 -0.100 0.000 0.987 306 D CA 0.883 54.882 54.000 -0.001 0.000 0.829 306 D CB -0.059 40.846 40.800 0.176 0.000 0.961 306 D HN 0.164 nan 8.370 nan 0.000 0.460 307 I N 0.109 120.510 120.570 -0.282 0.000 2.163 307 I HA -0.265 3.898 4.170 -0.011 0.000 0.243 307 I C 2.325 178.441 176.117 -0.001 0.000 1.085 307 I CA 0.837 61.917 61.300 -0.366 0.000 1.347 307 I CB -0.179 37.457 38.000 -0.607 0.000 1.044 307 I HN 0.041 nan 8.210 nan 0.000 0.408 308 I N 0.231 120.857 120.570 0.092 0.000 2.252 308 I HA -0.285 3.878 4.170 -0.011 0.000 0.245 308 I C 2.761 179.031 176.117 0.254 0.000 1.102 308 I CA 1.162 62.631 61.300 0.282 0.000 1.385 308 I CB -0.370 37.754 38.000 0.206 0.000 1.064 308 I HN 0.170 nan 8.210 nan 0.000 0.414 309 R N 1.119 121.696 120.500 0.128 0.000 2.083 309 R HA -0.227 4.106 4.340 -0.011 0.000 0.237 309 R C 2.498 178.853 176.300 0.092 0.000 1.137 309 R CA 1.784 57.940 56.100 0.094 0.000 0.951 309 R CB -0.278 30.053 30.300 0.050 0.000 0.851 309 R HN 0.181 nan 8.270 nan 0.000 0.434 310 R N -0.715 119.838 120.500 0.087 0.000 2.096 310 R HA -0.158 4.175 4.340 -0.011 0.000 0.235 310 R C 2.145 178.526 176.300 0.136 0.000 1.127 310 R CA 1.653 57.809 56.100 0.094 0.000 0.968 310 R CB -0.345 30.001 30.300 0.076 0.000 0.861 310 R HN 0.309 nan 8.270 nan 0.000 0.440 311 F N 1.432 121.403 119.950 0.035 0.000 2.146 311 F HA -0.117 4.403 4.527 -0.012 0.000 0.298 311 F C 1.688 177.485 175.800 -0.004 0.000 1.096 311 F CA 1.547 59.559 58.000 0.020 0.000 1.275 311 F CB 0.027 39.079 39.000 0.086 0.000 1.008 311 F HN -0.148 nan 8.300 nan 0.000 0.480 312 K N -0.357 119.999 120.400 -0.074 0.000 2.211 312 K HA -0.025 4.288 4.320 -0.011 0.000 0.203 312 K C 1.577 178.080 176.600 -0.163 0.000 1.050 312 K CA 1.203 57.370 56.287 -0.199 0.000 0.945 312 K CB -0.219 32.279 32.500 -0.003 0.000 0.732 312 K HN 0.118 nan 8.250 nan 0.000 0.451 313 S N 1.066 116.727 115.700 -0.064 0.000 2.743 313 S HA 0.029 4.492 4.470 -0.011 0.000 0.230 313 S C 0.224 174.825 174.600 0.001 0.000 0.950 313 S CA -0.274 57.928 58.200 0.004 0.000 0.976 313 S CB -0.017 63.227 63.200 0.072 0.000 0.779 313 S HN 0.292 nan 8.310 nan 0.000 0.487 325 N N 0.579 119.246 118.700 -0.055 0.000 2.457 325 N HA 0.357 5.090 4.740 -0.011 0.000 0.250 325 N C -0.692 174.861 175.510 0.070 0.000 0.982 325 N CA -0.201 52.881 53.050 0.053 0.000 0.941 325 N CB 0.665 39.187 38.487 0.058 0.000 1.120 325 N HN 0.103 nan 8.380 nan 0.000 0.505 326 F N 1.404 121.451 119.950 0.163 0.000 2.811 326 F HA 0.094 4.614 4.527 -0.012 0.000 0.301 326 F C 1.819 177.679 175.800 0.100 0.000 1.151 326 F CA -0.107 57.965 58.000 0.121 0.000 1.412 326 F CB 0.307 39.262 39.000 -0.075 0.000 1.113 326 F HN 0.470 nan 8.300 nan 0.000 0.579 327 D N 0.503 121.036 120.400 0.221 0.000 2.182 327 D HA -0.165 4.468 4.640 -0.011 0.000 0.201 327 D C 2.186 178.573 176.300 0.144 0.000 0.986 327 D CA 1.362 55.452 54.000 0.149 0.000 0.847 327 D CB -0.018 40.847 40.800 0.107 0.000 0.942 327 D HN 0.323 nan 8.370 nan 0.000 0.467 328 A N -0.236 122.696 122.820 0.185 0.000 2.251 328 A HA 0.050 4.363 4.320 -0.011 0.000 0.209 328 A C 1.692 179.386 177.584 0.184 0.000 1.187 328 A CA -0.289 51.855 52.037 0.179 0.000 0.823 328 A CB -0.612 18.500 19.000 0.188 0.000 0.846 328 A HN 0.124 nan 8.150 nan 0.000 0.486 329 F N 1.965 121.872 119.950 -0.072 0.000 2.065 329 F HA -0.147 4.373 4.527 -0.011 0.000 0.298 329 F C -0.788 174.900 175.800 -0.186 0.000 1.112 329 F CA 2.578 60.332 58.000 -0.409 0.000 1.212 329 F CB -0.536 38.226 39.000 -0.396 0.000 0.975 329 F HN 0.204 nan 8.300 nan 0.000 0.476 330 P HA -0.078 nan 4.420 nan 0.000 0.226 330 P C 0.706 177.965 177.300 -0.068 0.000 1.153 330 P CA 1.306 64.379 63.100 -0.046 0.000 0.777 330 P CB -0.068 31.631 31.700 -0.001 0.000 0.794 331 D N -0.600 119.780 120.400 -0.034 0.000 2.277 331 D HA -0.048 4.585 4.640 -0.011 0.000 0.208 331 D C 1.520 177.803 176.300 -0.028 0.000 0.962 331 D CA 0.982 54.974 54.000 -0.014 0.000 0.865 331 D CB 0.083 40.896 40.800 0.021 0.000 0.939 331 D HN 0.139 nan 8.370 nan 0.000 0.510 332 K N -0.077 120.282 120.400 -0.067 0.000 2.402 332 K HA 0.214 4.528 4.320 -0.011 0.000 0.203 332 K C -0.169 176.345 176.600 -0.144 0.000 1.077 332 K CA 0.063 56.322 56.287 -0.047 0.000 1.051 332 K CB 2.362 34.937 32.500 0.124 0.000 0.907 332 K HN -0.066 nan 8.250 nan 0.000 0.554 333 V N 1.004 120.750 119.914 -0.281 0.000 2.623 333 V HA 0.596 4.709 4.120 -0.011 0.000 0.304 333 V C -1.120 174.880 176.094 -0.156 0.000 1.054 333 V CA -1.266 60.863 62.300 -0.285 0.000 0.882 333 V CB 1.828 33.193 31.823 -0.765 0.000 1.002 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.729 128.508 122.820 -0.069 0.000 2.343 334 A HA 0.936 5.249 4.320 -0.011 0.000 0.316 334 A C -0.958 176.649 177.584 0.040 0.000 1.104 334 A CA -0.503 51.527 52.037 -0.012 0.000 0.768 334 A CB 1.026 19.973 19.000 -0.089 0.000 1.213 334 A HN 0.771 nan 8.150 nan 0.000 0.456 335 I N 1.782 122.420 120.570 0.114 0.000 2.382 335 I HA 0.304 4.467 4.170 -0.011 0.000 0.286 335 I C -0.335 175.876 176.117 0.156 0.000 1.002 335 I CA -0.554 60.826 61.300 0.134 0.000 1.135 335 I CB 1.940 40.000 38.000 0.101 0.000 1.288 335 I HN 0.687 nan 8.210 nan 0.000 0.448 336 Q N 6.745 126.635 119.800 0.151 0.000 2.314 336 Q HA 0.504 4.837 4.340 -0.011 0.000 0.259 336 Q C -1.313 174.684 176.000 -0.004 0.000 0.951 336 Q CA -0.265 55.652 55.803 0.190 0.000 0.909 336 Q CB 1.335 30.299 28.738 0.375 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.810 125.072 121.223 0.065 0.000 2.261 337 L HA 0.386 4.719 4.340 -0.011 0.000 0.289 337 L C 0.063 176.960 176.870 0.044 0.000 1.059 337 L CA -0.723 54.147 54.840 0.050 0.000 0.816 337 L CB 0.610 42.751 42.059 0.135 0.000 1.191 337 L HN 0.568 nan 8.230 nan 0.000 0.431 338 N N 4.516 123.161 118.700 -0.091 0.000 2.448 338 N HA 0.055 4.788 4.740 -0.011 0.000 0.250 338 N C -0.134 175.400 175.510 0.040 0.000 1.136 338 N CA 0.506 53.559 53.050 0.005 0.000 0.953 338 N CB -0.078 38.330 38.487 -0.132 0.000 1.251 338 N HN 0.618 nan 8.380 nan 0.000 0.502 339 D N -0.057 120.467 120.400 0.206 0.000 4.160 339 D HA -0.224 4.409 4.640 -0.011 0.000 0.291 339 D C 0.294 176.691 176.300 0.162 0.000 2.226 339 D CA 1.533 55.626 54.000 0.154 0.000 1.157 339 D CB -0.504 40.106 40.800 -0.317 0.000 1.020 339 D HN 0.518 nan 8.370 nan 0.000 1.219 340 T N -2.421 112.175 114.554 0.071 0.000 3.129 340 T HA 0.091 4.434 4.350 -0.011 0.000 0.251 340 T C 1.618 176.401 174.700 0.139 0.000 1.117 340 T CA 1.461 63.586 62.100 0.042 0.000 1.034 340 T CB -0.501 68.360 68.868 -0.012 0.000 0.968 340 T HN 0.500 nan 8.240 nan 0.000 0.526 341 H N 2.603 121.766 119.070 0.156 0.000 2.352 341 H HA -0.004 4.545 4.556 -0.011 0.000 0.299 341 H C -0.859 174.561 175.328 0.153 0.000 1.097 341 H CA 0.975 57.129 56.048 0.176 0.000 1.311 341 H CB -0.917 28.950 29.762 0.175 0.000 1.377 341 H HN 0.438 nan 8.280 nan 0.000 0.504 342 P HA 0.078 nan 4.420 nan 0.000 0.254 342 P C 0.732 178.080 177.300 0.080 0.000 1.620 342 P CA 0.337 63.520 63.100 0.139 0.000 1.050 342 P CB 0.297 32.067 31.700 0.115 0.000 1.539 343 S N -0.199 115.542 115.700 0.069 0.000 2.440 343 S HA -0.138 4.326 4.470 -0.011 0.000 0.238 343 S C 1.750 176.356 174.600 0.009 0.000 1.010 343 S CA 0.818 59.019 58.200 0.001 0.000 0.972 343 S CB -1.502 61.675 63.200 -0.038 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 1.073 122.316 121.223 0.032 0.000 2.450 344 L HA 0.003 4.336 4.340 -0.011 0.000 0.224 344 L C 2.945 179.850 176.870 0.058 0.000 1.149 344 L CA 0.610 55.471 54.840 0.034 0.000 0.816 344 L CB -0.813 41.264 42.059 0.030 0.000 0.932 344 L HN 0.465 nan 8.230 nan 0.000 0.449 345 A N 0.702 123.538 122.820 0.028 0.000 1.948 345 A HA -0.228 4.086 4.320 -0.011 0.000 0.220 345 A C 2.184 179.770 177.584 0.004 0.000 1.177 345 A CA 1.696 53.736 52.037 0.004 0.000 0.636 345 A CB -0.518 18.478 19.000 -0.007 0.000 0.815 345 A HN 0.382 nan 8.150 nan 0.000 0.449 346 I N 0.223 120.797 120.570 0.007 0.000 2.090 346 I HA -0.152 4.011 4.170 -0.011 0.000 0.236 346 I C -0.332 175.808 176.117 0.037 0.000 1.064 346 I CA 1.653 62.956 61.300 0.006 0.000 1.324 346 I CB -1.045 36.962 38.000 0.010 0.000 1.044 346 I HN 0.253 nan 8.210 nan 0.000 0.399 347 P HA -0.161 nan 4.420 nan 0.000 0.221 347 P C 1.266 178.596 177.300 0.052 0.000 1.150 347 P CA 1.445 64.584 63.100 0.065 0.000 0.800 347 P CB 0.038 31.796 31.700 0.098 0.000 0.787 348 E N 0.346 120.641 120.200 0.158 0.000 2.047 348 E HA -0.161 4.182 4.350 -0.011 0.000 0.191 348 E C 1.940 178.530 176.600 -0.016 0.000 0.987 348 E CA 0.733 57.236 56.400 0.172 0.000 0.799 348 E CB -1.239 28.602 29.700 0.236 0.000 0.752 348 E HN -0.017 nan 8.360 nan 0.000 0.449 349 L N 0.026 121.209 121.223 -0.066 0.000 2.042 349 L HA -0.148 4.185 4.340 -0.011 0.000 0.210 349 L C 2.145 178.878 176.870 -0.228 0.000 1.076 349 L CA 1.850 56.591 54.840 -0.164 0.000 0.749 349 L CB -0.604 41.359 42.059 -0.160 0.000 0.893 349 L HN 0.259 nan 8.230 nan 0.000 0.432 350 M N -0.891 118.591 119.600 -0.197 0.000 2.080 350 M HA -0.230 4.243 4.480 -0.011 0.000 0.260 350 M C 2.433 178.574 176.300 -0.264 0.000 1.068 350 M CA 1.627 56.759 55.300 -0.281 0.000 1.109 350 M CB -1.245 31.172 32.600 -0.306 0.000 1.342 350 M HN 0.334 nan 8.290 nan 0.000 0.405 351 R N 0.102 120.472 120.500 -0.216 0.000 2.080 351 R HA -0.147 4.186 4.340 -0.011 0.000 0.236 351 R C 2.082 178.280 176.300 -0.170 0.000 1.137 351 R CA 1.863 57.837 56.100 -0.211 0.000 0.943 351 R CB -0.254 29.869 30.300 -0.295 0.000 0.846 351 R HN 0.213 nan 8.270 nan 0.000 0.431 352 V N 1.440 121.252 119.914 -0.169 0.000 2.295 352 V HA -0.259 3.854 4.120 -0.011 0.000 0.246 352 V C 2.416 178.349 176.094 -0.268 0.000 1.049 352 V CA 1.801 63.993 62.300 -0.180 0.000 1.024 352 V CB -0.418 31.299 31.823 -0.177 0.000 0.648 352 V HN 0.353 nan 8.190 nan 0.000 0.447 353 L N -0.670 120.334 121.223 -0.364 0.000 2.093 353 L HA -0.122 4.212 4.340 -0.011 0.000 0.208 353 L C 2.366 179.054 176.870 -0.303 0.000 1.085 353 L CA 1.063 55.623 54.840 -0.467 0.000 0.755 353 L CB -0.572 41.166 42.059 -0.535 0.000 0.904 353 L HN 0.211 nan 8.230 nan 0.000 0.435 354 V N -0.682 119.099 119.914 -0.222 0.000 2.331 354 V HA -0.162 3.951 4.120 -0.011 0.000 0.242 354 V C 1.915 177.967 176.094 -0.070 0.000 1.034 354 V CA 1.599 63.830 62.300 -0.116 0.000 1.027 354 V CB -0.314 31.472 31.823 -0.062 0.000 0.667 354 V HN 0.328 nan 8.190 nan 0.000 0.457 355 D N -0.111 120.242 120.400 -0.078 0.000 2.194 355 D HA 0.009 4.642 4.640 -0.011 0.000 0.204 355 D C 1.993 178.265 176.300 -0.047 0.000 0.964 355 D CA 1.121 55.092 54.000 -0.048 0.000 0.846 355 D CB 0.151 40.920 40.800 -0.051 0.000 0.962 355 D HN 0.326 nan 8.370 nan 0.000 0.490 356 L N 0.055 121.234 121.223 -0.073 0.000 2.445 356 L HA 0.137 4.470 4.340 -0.011 0.000 0.207 356 L C 1.758 178.595 176.870 -0.055 0.000 1.053 356 L CA 0.415 55.222 54.840 -0.054 0.000 0.841 356 L CB 0.125 42.152 42.059 -0.053 0.000 1.074 356 L HN -0.191 nan 8.230 nan 0.000 0.479 357 E N 0.463 120.596 120.200 -0.113 0.000 2.474 357 E HA 0.045 4.388 4.350 -0.011 0.000 0.194 357 E C 0.035 176.595 176.600 -0.068 0.000 1.041 357 E CA -0.049 56.290 56.400 -0.102 0.000 0.874 357 E CB 0.388 29.913 29.700 -0.291 0.000 0.914 357 E HN 0.197 nan 8.360 nan 0.000 0.498 358 R N -0.222 120.235 120.500 -0.071 0.000 3.656 358 R HA -0.183 4.150 4.340 -0.011 0.000 0.297 358 R C -0.350 175.933 176.300 -0.027 0.000 1.166 358 R CA 0.243 56.325 56.100 -0.030 0.000 0.799 358 R CB -2.901 27.399 30.300 0.001 0.000 1.285 358 R HN 0.083 nan 8.270 nan 0.000 0.477 359 L N 2.275 123.454 121.223 -0.075 0.000 2.417 359 L HA 0.148 4.481 4.340 -0.011 0.000 0.268 359 L C 1.489 178.350 176.870 -0.014 0.000 1.158 359 L CA 0.239 55.045 54.840 -0.057 0.000 0.819 359 L CB 0.426 42.403 42.059 -0.136 0.000 1.112 359 L HN 0.145 nan 8.230 nan 0.000 0.458 360 D N 1.214 121.631 120.400 0.027 0.000 2.382 360 D HA -0.144 4.489 4.640 -0.011 0.000 0.240 360 D C 0.919 177.285 176.300 0.110 0.000 1.146 360 D CA -0.510 53.540 54.000 0.084 0.000 0.897 360 D CB 0.739 41.594 40.800 0.091 0.000 1.197 360 D HN 0.616 nan 8.370 nan 0.000 0.432 361 W N 2.049 123.350 121.300 0.003 0.000 2.317 361 W HA -0.240 4.413 4.660 -0.011 0.000 0.318 361 W C 1.128 177.688 176.519 0.069 0.000 1.227 361 W CA 1.949 59.302 57.345 0.014 0.000 1.269 361 W CB -0.336 29.113 29.460 -0.019 0.000 1.155 361 W HN 0.471 nan 8.180 nan 0.000 0.484 362 D N 0.307 120.902 120.400 0.325 0.000 2.123 362 D HA -0.205 4.428 4.640 -0.011 0.000 0.196 362 D C 1.892 178.289 176.300 0.160 0.000 0.992 362 D CA 2.000 56.164 54.000 0.273 0.000 0.833 362 D CB -0.387 40.546 40.800 0.222 0.000 0.954 362 D HN 0.070 nan 8.370 nan 0.000 0.455 363 K N 1.229 121.683 120.400 0.090 0.000 2.025 363 K HA -0.000 4.313 4.320 -0.011 0.000 0.207 363 K C 1.862 178.449 176.600 -0.022 0.000 1.049 363 K CA 1.584 57.896 56.287 0.042 0.000 0.933 363 K CB -0.692 31.829 32.500 0.034 0.000 0.714 363 K HN -0.011 nan 8.250 nan 0.000 0.438 364 A N 0.720 123.483 122.820 -0.095 0.000 1.917 364 A HA -0.208 4.106 4.320 -0.011 0.000 0.219 364 A C 2.293 179.777 177.584 -0.166 0.000 1.182 364 A CA 1.651 53.563 52.037 -0.207 0.000 0.633 364 A CB -1.273 17.536 19.000 -0.318 0.000 0.819 364 A HN 0.712 nan 8.150 nan 0.000 0.448 365 W N 0.556 121.641 121.300 -0.358 0.000 2.381 365 W HA -0.164 4.489 4.660 -0.011 0.000 0.301 365 W C 2.016 178.472 176.519 -0.105 0.000 1.205 365 W CA 1.774 58.959 57.345 -0.268 0.000 1.285 365 W CB -0.127 29.208 29.460 -0.208 0.000 1.133 365 W HN 0.627 nan 8.180 nan 0.000 0.521 366 E N 0.153 120.339 120.200 -0.024 0.000 2.058 366 E HA -0.236 4.107 4.350 -0.011 0.000 0.194 366 E C 2.037 178.557 176.600 -0.133 0.000 0.997 366 E CA 2.078 58.430 56.400 -0.080 0.000 0.801 366 E CB -0.351 29.359 29.700 0.017 0.000 0.746 366 E HN 0.052 nan 8.360 nan 0.000 0.450 367 V N 0.771 120.622 119.914 -0.104 0.000 2.295 367 V HA -0.276 3.837 4.120 -0.011 0.000 0.246 367 V C 2.426 178.451 176.094 -0.116 0.000 1.049 367 V CA 2.237 64.493 62.300 -0.075 0.000 1.024 367 V CB -0.845 30.924 31.823 -0.089 0.000 0.648 367 V HN 0.395 nan 8.190 nan 0.000 0.447 368 T N 0.040 114.454 114.554 -0.234 0.000 2.652 368 T HA -0.182 4.161 4.350 -0.011 0.000 0.267 368 T C 1.950 176.467 174.700 -0.305 0.000 1.039 368 T CA 1.792 63.728 62.100 -0.273 0.000 1.153 368 T CB -0.312 68.343 68.868 -0.354 0.000 0.863 368 T HN 0.274 nan 8.240 nan 0.000 0.428 369 V N 1.425 121.039 119.914 -0.499 0.000 2.295 369 V HA -0.183 3.931 4.120 -0.011 0.000 0.246 369 V C 2.362 178.405 176.094 -0.084 0.000 1.049 369 V CA 1.666 63.732 62.300 -0.391 0.000 1.024 369 V CB -0.498 31.014 31.823 -0.517 0.000 0.648 369 V HN 0.465 nan 8.190 nan 0.000 0.447 370 K N -0.504 119.830 120.400 -0.110 0.000 2.362 370 K HA -0.088 4.225 4.320 -0.011 0.000 0.200 370 K C 2.070 178.630 176.600 -0.066 0.000 1.046 370 K CA 1.510 57.713 56.287 -0.139 0.000 0.952 370 K CB -0.196 32.226 32.500 -0.131 0.000 0.753 370 K HN 0.483 nan 8.250 nan 0.000 0.466 371 T N 0.116 114.696 114.554 0.043 0.000 2.976 371 T HA 0.021 4.364 4.350 -0.011 0.000 0.257 371 T C 0.897 175.705 174.700 0.180 0.000 1.051 371 T CA 0.395 62.559 62.100 0.107 0.000 1.141 371 T CB 0.114 69.083 68.868 0.169 0.000 0.881 371 T HN 0.161 nan 8.240 nan 0.000 0.461 372 C N 2.348 121.741 119.300 0.155 0.000 2.365 372 C HA 0.886 5.339 4.460 -0.011 0.000 0.351 372 C C 0.598 175.652 174.990 0.106 0.000 1.240 372 C CA -1.193 57.896 59.018 0.117 0.000 2.062 372 C CB 0.120 27.867 27.740 0.012 0.000 2.387 372 C HN 0.601 nan 8.230 nan 0.000 0.537 373 A N 2.134 125.010 122.820 0.094 0.000 2.498 373 A HA 0.803 5.116 4.320 -0.011 0.000 0.298 373 A C -1.606 176.055 177.584 0.127 0.000 1.075 373 A CA -0.439 51.600 52.037 0.004 0.000 0.714 373 A CB 1.142 20.143 19.000 0.003 0.000 1.299 373 A HN 0.956 nan 8.150 nan 0.000 0.407 374 Y N 0.828 121.082 120.300 -0.076 0.000 2.406 374 Y HA 0.629 5.172 4.550 -0.011 0.000 0.340 374 Y C -0.645 175.238 175.900 -0.029 0.000 0.975 374 Y CA -0.320 57.746 58.100 -0.055 0.000 1.056 374 Y CB 2.102 40.487 38.460 -0.125 0.000 1.210 374 Y HN 0.580 nan 8.280 nan 0.000 0.448 375 T N 6.482 120.815 114.554 -0.369 0.000 2.758 375 T HA 0.198 4.541 4.350 -0.011 0.000 0.285 375 T C -0.803 173.428 174.700 -0.782 0.000 0.981 375 T CA -0.789 61.030 62.100 -0.469 0.000 0.965 375 T CB 0.491 69.313 68.868 -0.076 0.000 0.927 375 T HN 0.649 nan 8.240 nan 0.000 0.448 376 N N 1.783 120.030 118.700 -0.755 0.000 2.456 376 N HA 0.137 4.870 4.740 -0.011 0.000 0.288 376 N C 0.033 175.418 175.510 -0.209 0.000 1.059 376 N CA -0.329 52.512 53.050 -0.348 0.000 0.946 376 N CB 0.793 39.247 38.487 -0.055 0.000 1.150 376 N HN 0.669 nan 8.380 nan 0.000 0.479 377 H N 0.989 120.093 119.070 0.057 0.000 2.893 377 H HA 0.167 4.716 4.556 -0.012 0.000 0.270 377 H C -0.203 175.047 175.328 -0.131 0.000 1.095 377 H CA 0.013 56.039 56.048 -0.035 0.000 1.186 377 H CB 1.177 30.924 29.762 -0.024 0.000 1.562 377 H HN 0.530 nan 8.280 nan 0.000 0.536 378 T N 0.277 114.864 114.554 0.055 0.000 2.893 378 T HA 0.205 4.549 4.350 -0.011 0.000 0.337 378 T C 0.411 175.136 174.700 0.040 0.000 1.587 378 T CA -0.365 61.717 62.100 -0.030 0.000 1.066 378 T CB 1.293 70.131 68.868 -0.049 0.000 1.414 378 T HN -0.040 nan 8.240 nan 0.000 0.488 379 V N 2.016 121.917 119.914 -0.021 0.000 3.578 379 V HA 0.554 4.667 4.120 -0.011 0.000 0.290 379 V C 0.681 176.736 176.094 -0.064 0.000 1.376 379 V CA 0.036 62.307 62.300 -0.048 0.000 1.083 379 V CB -0.490 31.302 31.823 -0.052 0.000 0.911 379 V HN 0.703 nan 8.190 nan 0.000 0.433 380 L N 3.006 124.180 121.223 -0.081 0.000 2.534 380 L HA 0.212 4.545 4.340 -0.011 0.000 0.271 380 L C -0.570 176.297 176.870 -0.006 0.000 1.178 380 L CA -1.016 53.798 54.840 -0.044 0.000 0.907 380 L CB 0.650 42.660 42.059 -0.082 0.000 1.164 380 L HN 0.131 nan 8.230 nan 0.000 0.482 381 P HA -0.215 nan 4.420 nan 0.000 0.216 381 P C 0.974 178.272 177.300 -0.004 0.000 1.150 381 P CA 1.252 64.351 63.100 -0.003 0.000 0.837 381 P CB 0.049 31.753 31.700 0.007 0.000 0.786 382 E N 0.316 120.540 120.200 0.040 0.000 2.418 382 E HA -0.054 4.289 4.350 -0.011 0.000 0.197 382 E C 1.621 178.191 176.600 -0.050 0.000 1.026 382 E CA 1.054 57.460 56.400 0.011 0.000 0.862 382 E CB -0.740 29.051 29.700 0.153 0.000 0.799 382 E HN 0.198 nan 8.360 nan 0.000 0.518 383 A N 0.756 123.585 122.820 0.016 0.000 2.195 383 A HA 0.196 4.509 4.320 -0.011 0.000 0.210 383 A C 0.927 178.502 177.584 -0.016 0.000 1.165 383 A CA -0.240 51.822 52.037 0.042 0.000 0.806 383 A CB -0.008 19.039 19.000 0.079 0.000 0.847 383 A HN 0.127 nan 8.150 nan 0.000 0.482 384 L N 1.598 122.766 121.223 -0.093 0.000 2.367 384 L HA 0.162 4.495 4.340 -0.011 0.000 0.275 384 L C 0.232 176.776 176.870 -0.544 0.000 1.129 384 L CA 0.272 54.997 54.840 -0.191 0.000 0.839 384 L CB 0.465 42.445 42.059 -0.132 0.000 1.133 384 L HN 0.279 nan 8.230 nan 0.000 0.453 385 E N 4.925 124.714 120.200 -0.685 0.000 2.166 385 E HA 0.202 4.545 4.350 -0.011 0.000 0.279 385 E C -0.406 175.540 176.600 -1.089 0.000 1.095 385 E CA -0.100 55.435 56.400 -1.442 0.000 0.888 385 E CB 0.485 29.725 29.700 -0.766 0.000 1.041 385 E HN 0.343 nan 8.360 nan 0.000 0.414 386 R N 3.822 123.531 120.500 -1.318 0.000 2.407 386 R HA 0.193 4.526 4.340 -0.011 0.000 0.298 386 R C -1.185 174.921 176.300 -0.324 0.000 1.166 386 R CA -0.571 55.204 56.100 -0.541 0.000 1.006 386 R CB 0.855 30.974 30.300 -0.303 0.000 1.145 386 R HN 0.443 nan 8.270 nan 0.000 0.538 387 W N 4.514 125.754 121.300 -0.100 0.000 2.322 387 W HA 0.269 4.922 4.660 -0.012 0.000 0.307 387 W C -1.891 174.601 176.519 -0.045 0.000 1.220 387 W CA -2.159 55.193 57.345 0.011 0.000 1.210 387 W CB 0.793 30.241 29.460 -0.020 0.000 1.223 387 W HN 0.256 nan 8.180 nan 0.000 0.511 388 P HA -0.104 nan 4.420 nan 0.000 0.262 388 P C 0.822 178.059 177.300 -0.105 0.000 1.182 388 P CA 0.287 63.359 63.100 -0.047 0.000 0.761 388 P CB 0.688 32.194 31.700 -0.323 0.000 0.795 389 V N 3.434 123.335 119.914 -0.022 0.000 2.392 389 V HA -0.296 3.817 4.120 -0.011 0.000 0.249 389 V C 2.172 178.267 176.094 0.003 0.000 1.059 389 V CA 2.600 64.907 62.300 0.012 0.000 1.051 389 V CB -1.688 30.202 31.823 0.112 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -0.862 118.264 119.070 0.094 0.000 2.421 390 H HA -0.107 4.442 4.556 -0.011 0.000 0.298 390 H C 2.012 177.387 175.328 0.079 0.000 1.087 390 H CA 1.734 57.833 56.048 0.085 0.000 1.330 390 H CB -0.680 29.133 29.762 0.086 0.000 1.388 390 H HN 0.356 nan 8.280 nan 0.000 0.526 391 L N -0.078 121.015 121.223 -0.217 0.000 2.027 391 L HA -0.111 4.222 4.340 -0.011 0.000 0.206 391 L C 2.454 179.285 176.870 -0.065 0.000 1.074 391 L CA 1.127 55.934 54.840 -0.054 0.000 0.745 391 L CB -0.286 41.729 42.059 -0.073 0.000 0.898 391 L HN 0.324 nan 8.230 nan 0.000 0.433 392 L N -0.633 120.525 121.223 -0.108 0.000 2.093 392 L HA -0.220 4.113 4.340 -0.011 0.000 0.208 392 L C 2.518 179.327 176.870 -0.103 0.000 1.085 392 L CA 1.087 55.834 54.840 -0.154 0.000 0.755 392 L CB -0.413 41.542 42.059 -0.174 0.000 0.904 392 L HN 0.322 nan 8.230 nan 0.000 0.435 393 E N -0.282 119.899 120.200 -0.031 0.000 2.085 393 E HA -0.216 4.127 4.350 -0.011 0.000 0.194 393 E C 1.898 178.533 176.600 0.058 0.000 0.994 393 E CA 1.921 58.332 56.400 0.018 0.000 0.801 393 E CB 0.141 29.891 29.700 0.082 0.000 0.743 393 E HN 0.406 nan 8.360 nan 0.000 0.453 394 T N 0.702 115.315 114.554 0.099 0.000 2.851 394 T HA -0.074 4.269 4.350 -0.011 0.000 0.262 394 T C 1.693 176.502 174.700 0.181 0.000 1.043 394 T CA 0.785 62.993 62.100 0.180 0.000 1.140 394 T CB -0.097 68.911 68.868 0.233 0.000 0.872 394 T HN 0.085 nan 8.240 nan 0.000 0.446 395 L N -0.078 121.154 121.223 0.015 0.000 2.162 395 L HA 0.382 4.716 4.340 -0.011 0.000 0.205 395 L C 0.420 177.233 176.870 -0.096 0.000 1.086 395 L CA 1.514 56.250 54.840 -0.173 0.000 0.778 395 L CB 0.092 42.006 42.059 -0.242 0.000 0.928 395 L HN 0.164 nan 8.230 nan 0.000 0.446 396 L N 0.666 121.795 121.223 -0.157 0.000 2.574 396 L HA 0.287 4.620 4.340 -0.011 0.000 0.258 396 L C -1.724 174.961 176.870 -0.308 0.000 1.520 396 L CA -0.875 53.780 54.840 -0.308 0.000 0.775 396 L CB 0.868 42.608 42.059 -0.530 0.000 1.028 396 L HN -0.062 nan 8.230 nan 0.000 0.516 397 P HA -0.184 nan 4.420 nan 0.000 0.218 397 P C 1.452 178.554 177.300 -0.330 0.000 1.148 397 P CA 1.090 64.066 63.100 -0.207 0.000 0.822 397 P CB 0.365 32.019 31.700 -0.078 0.000 0.784 398 R N -0.173 119.946 120.500 -0.634 0.000 2.090 398 R HA -0.117 4.216 4.340 -0.011 0.000 0.228 398 R C 2.252 178.243 176.300 -0.514 0.000 1.110 398 R CA 1.596 57.330 56.100 -0.611 0.000 0.973 398 R CB -1.601 28.172 30.300 -0.877 0.000 0.869 398 R HN 0.235 nan 8.270 nan 0.000 0.440 399 H N -0.283 118.476 119.070 -0.519 0.000 2.387 399 H HA -0.040 4.509 4.556 -0.011 0.000 0.299 399 H C 1.801 176.952 175.328 -0.294 0.000 1.090 399 H CA 1.621 57.449 56.048 -0.367 0.000 1.332 399 H CB -0.119 29.392 29.762 -0.418 0.000 1.386 399 H HN 0.072 nan 8.280 nan 0.000 0.516 400 L N 0.567 121.659 121.223 -0.218 0.000 2.012 400 L HA -0.266 4.067 4.340 -0.011 0.000 0.210 400 L C 1.918 178.573 176.870 -0.358 0.000 1.073 400 L CA 1.673 56.312 54.840 -0.337 0.000 0.748 400 L CB -0.334 41.538 42.059 -0.311 0.000 0.891 400 L HN 0.449 nan 8.230 nan 0.000 0.431 401 Q N -0.322 119.376 119.800 -0.169 0.000 2.096 401 Q HA -0.248 4.085 4.340 -0.011 0.000 0.204 401 Q C 2.164 178.169 176.000 0.008 0.000 0.982 401 Q CA 1.777 57.571 55.803 -0.014 0.000 0.850 401 Q CB -0.126 28.612 28.738 0.001 0.000 0.901 401 Q HN 0.563 nan 8.270 nan 0.000 0.422 402 I N 0.296 120.852 120.570 -0.024 0.000 2.252 402 I HA -0.270 3.893 4.170 -0.011 0.000 0.245 402 I C 2.135 178.320 176.117 0.113 0.000 1.102 402 I CA 0.987 62.355 61.300 0.114 0.000 1.385 402 I CB -0.143 37.885 38.000 0.048 0.000 1.064 402 I HN 0.192 nan 8.210 nan 0.000 0.414 403 I N -0.443 120.116 120.570 -0.017 0.000 2.226 403 I HA -0.322 3.841 4.170 -0.011 0.000 0.245 403 I C 2.391 178.530 176.117 0.037 0.000 1.100 403 I CA 1.420 62.703 61.300 -0.029 0.000 1.374 403 I CB -0.384 37.534 38.000 -0.138 0.000 1.057 403 I HN 0.163 nan 8.210 nan 0.000 0.413 404 Y N 0.810 121.112 120.300 0.003 0.000 2.181 404 Y HA -0.273 4.270 4.550 -0.011 0.000 0.288 404 Y C 2.603 178.467 175.900 -0.060 0.000 1.146 404 Y CA 1.527 59.615 58.100 -0.019 0.000 1.164 404 Y CB -0.781 37.660 38.460 -0.031 0.000 0.982 404 Y HN 0.205 nan 8.280 nan 0.000 0.515 405 E N 0.317 120.553 120.200 0.060 0.000 2.072 405 E HA -0.124 4.219 4.350 -0.011 0.000 0.191 405 E C 2.082 178.597 176.600 -0.142 0.000 0.985 405 E CA 1.121 57.417 56.400 -0.174 0.000 0.801 405 E CB -0.517 28.904 29.700 -0.464 0.000 0.750 405 E HN 0.465 nan 8.360 nan 0.000 0.452 406 I N 0.711 121.298 120.570 0.028 0.000 2.163 406 I HA -0.293 3.870 4.170 -0.011 0.000 0.243 406 I C 2.270 178.391 176.117 0.007 0.000 1.085 406 I CA 1.388 62.660 61.300 -0.047 0.000 1.347 406 I CB -0.412 37.559 38.000 -0.048 0.000 1.044 406 I HN 0.206 nan 8.210 nan 0.000 0.408 407 N N 0.688 119.437 118.700 0.083 0.000 2.069 407 N HA -0.277 4.456 4.740 -0.011 0.000 0.191 407 N C 1.877 177.468 175.510 0.135 0.000 1.031 407 N CA 1.607 54.752 53.050 0.160 0.000 0.852 407 N CB -0.187 38.412 38.487 0.187 0.000 1.018 407 N HN 0.332 nan 8.380 nan 0.000 0.423 408 Q N 0.103 119.929 119.800 0.043 0.000 2.050 408 Q HA -0.149 4.184 4.340 -0.011 0.000 0.202 408 Q C 1.999 177.983 176.000 -0.027 0.000 0.980 408 Q CA 1.382 57.176 55.803 -0.015 0.000 0.840 408 Q CB -0.024 28.665 28.738 -0.082 0.000 0.898 408 Q HN 0.395 nan 8.270 nan 0.000 0.424 409 R N -0.653 119.811 120.500 -0.060 0.000 2.092 409 R HA -0.124 4.209 4.340 -0.011 0.000 0.231 409 R C 2.201 178.532 176.300 0.050 0.000 1.119 409 R CA 1.397 57.464 56.100 -0.055 0.000 0.970 409 R CB -0.402 29.817 30.300 -0.136 0.000 0.864 409 R HN 0.264 nan 8.270 nan 0.000 0.440 410 F N 1.438 121.366 119.950 -0.037 0.000 2.102 410 F HA -0.111 4.409 4.527 -0.012 0.000 0.298 410 F C 1.821 177.644 175.800 0.038 0.000 1.105 410 F CA 1.387 59.412 58.000 0.042 0.000 1.239 410 F CB -0.180 38.875 39.000 0.092 0.000 0.991 410 F HN -0.109 nan 8.300 nan 0.000 0.474 411 L N -0.072 121.168 121.223 0.029 0.000 2.201 411 L HA -0.211 4.122 4.340 -0.011 0.000 0.212 411 L C 1.925 178.734 176.870 -0.102 0.000 1.105 411 L CA 1.382 56.176 54.840 -0.077 0.000 0.775 411 L CB -0.851 41.223 42.059 0.024 0.000 0.913 411 L HN 0.253 nan 8.230 nan 0.000 0.440 412 N N -0.175 118.483 118.700 -0.071 0.000 2.244 412 N HA -0.145 4.588 4.740 -0.011 0.000 0.183 412 N C 1.893 177.352 175.510 -0.085 0.000 1.016 412 N CA 0.691 53.700 53.050 -0.068 0.000 0.866 412 N CB 0.030 38.484 38.487 -0.054 0.000 0.980 412 N HN 0.292 nan 8.380 nan 0.000 0.430 413 R N 0.502 120.932 120.500 -0.117 0.000 2.075 413 R HA -0.027 4.307 4.340 -0.011 0.000 0.232 413 R C 2.158 178.359 176.300 -0.165 0.000 1.126 413 R CA 0.789 56.812 56.100 -0.127 0.000 0.963 413 R CB -0.286 29.944 30.300 -0.117 0.000 0.858 413 R HN 0.078 nan 8.270 nan 0.000 0.435 414 V N 1.039 120.803 119.914 -0.250 0.000 2.295 414 V HA -0.237 3.876 4.120 -0.011 0.000 0.246 414 V C 2.450 178.538 176.094 -0.011 0.000 1.049 414 V CA 2.000 64.214 62.300 -0.144 0.000 1.024 414 V CB -0.730 30.938 31.823 -0.257 0.000 0.648 414 V HN 0.397 nan 8.190 nan 0.000 0.447 415 A N 0.031 122.820 122.820 -0.051 0.000 1.940 415 A HA -0.135 4.178 4.320 -0.011 0.000 0.219 415 A C 2.389 179.954 177.584 -0.033 0.000 1.176 415 A CA 2.135 54.159 52.037 -0.022 0.000 0.631 415 A CB -0.742 18.237 19.000 -0.036 0.000 0.814 415 A HN 0.588 nan 8.150 nan 0.000 0.446 416 A N -0.589 122.194 122.820 -0.063 0.000 1.969 416 A HA 0.258 4.571 4.320 -0.011 0.000 0.218 416 A C 2.361 179.865 177.584 -0.133 0.000 1.169 416 A CA 1.834 53.823 52.037 -0.080 0.000 0.635 416 A CB -0.651 18.305 19.000 -0.073 0.000 0.810 416 A HN 0.984 nan 8.150 nan 0.000 0.445 417 A N -1.841 120.865 122.820 -0.190 0.000 1.984 417 A HA 0.409 4.722 4.320 -0.011 0.000 0.214 417 A C 0.507 177.686 177.584 -0.676 0.000 1.173 417 A CA 0.482 52.255 52.037 -0.440 0.000 0.673 417 A CB -0.083 18.603 19.000 -0.524 0.000 0.830 417 A HN 0.409 nan 8.150 nan 0.000 0.453 418 F N 0.853 120.756 119.950 -0.079 0.000 2.564 418 F HA 0.301 4.821 4.527 -0.012 0.000 0.329 418 F C -2.552 173.211 175.800 -0.062 0.000 1.458 418 F CA -2.880 55.078 58.000 -0.070 0.000 1.117 418 F CB 0.899 39.848 39.000 -0.084 0.000 1.383 418 F HN -0.010 nan 8.300 nan 0.000 0.571 419 P HA 0.161 nan 4.420 nan 0.000 0.268 419 P C 0.992 178.312 177.300 0.032 0.000 1.204 419 P CA 0.981 64.094 63.100 0.021 0.000 0.768 419 P CB 1.230 32.923 31.700 -0.012 0.000 0.842 420 G N 2.288 111.100 108.800 0.020 0.000 2.205 420 G HA2 -0.234 3.719 3.960 -0.011 0.000 0.261 420 G HA3 -0.234 3.719 3.960 -0.011 0.000 0.261 420 G C 0.254 175.162 174.900 0.014 0.000 0.980 420 G CA 0.168 45.276 45.100 0.013 0.000 0.632 420 G HN 0.631 nan 8.290 nan 0.000 0.533 421 D N 1.407 121.823 120.400 0.027 0.000 2.558 421 D HA 0.390 5.023 4.640 -0.011 0.000 0.221 421 D C 2.080 178.369 176.300 -0.018 0.000 1.143 421 D CA 0.360 54.362 54.000 0.003 0.000 1.010 421 D CB 0.387 41.189 40.800 0.002 0.000 1.068 421 D HN 0.582 nan 8.370 nan 0.000 0.511 422 V N 0.685 120.590 119.914 -0.015 0.000 2.515 422 V HA -0.133 3.980 4.120 -0.011 0.000 0.250 422 V C 1.785 177.866 176.094 -0.021 0.000 1.058 422 V CA 1.503 63.794 62.300 -0.015 0.000 1.064 422 V CB -0.478 31.340 31.823 -0.009 0.000 0.675 422 V HN 0.216 nan 8.190 nan 0.000 0.461 423 D N 0.352 120.736 120.400 -0.027 0.000 2.178 423 D HA -0.155 4.478 4.640 -0.011 0.000 0.202 423 D C 2.330 178.602 176.300 -0.047 0.000 0.974 423 D CA 1.196 55.180 54.000 -0.027 0.000 0.841 423 D CB -0.188 40.597 40.800 -0.025 0.000 0.953 423 D HN 0.437 nan 8.370 nan 0.000 0.478 424 R N -0.148 120.300 120.500 -0.086 0.000 2.081 424 R HA -0.092 4.241 4.340 -0.011 0.000 0.235 424 R C 2.207 178.440 176.300 -0.112 0.000 1.131 424 R CA 0.901 56.914 56.100 -0.145 0.000 0.960 424 R CB -0.225 29.927 30.300 -0.246 0.000 0.856 424 R HN 0.257 nan 8.270 nan 0.000 0.436 425 L N 0.673 121.854 121.223 -0.069 0.000 2.042 425 L HA -0.218 4.115 4.340 -0.011 0.000 0.210 425 L C 2.755 179.629 176.870 0.007 0.000 1.076 425 L CA 1.955 56.774 54.840 -0.036 0.000 0.749 425 L CB -0.544 41.502 42.059 -0.022 0.000 0.893 425 L HN 0.320 nan 8.230 nan 0.000 0.432 426 R N 0.179 120.687 120.500 0.013 0.000 2.092 426 R HA -0.115 4.218 4.340 -0.011 0.000 0.231 426 R C 2.254 178.602 176.300 0.080 0.000 1.119 426 R CA 1.024 57.152 56.100 0.047 0.000 0.970 426 R CB -0.442 29.880 30.300 0.037 0.000 0.864 426 R HN 0.231 nan 8.270 nan 0.000 0.440 427 R N 0.270 120.800 120.500 0.050 0.000 2.092 427 R HA 0.059 4.392 4.340 -0.011 0.000 0.231 427 R C 2.115 178.500 176.300 0.141 0.000 1.119 427 R CA 1.783 57.938 56.100 0.091 0.000 0.970 427 R CB -0.173 30.142 30.300 0.025 0.000 0.864 427 R HN 0.345 nan 8.270 nan 0.000 0.440 428 M N 0.107 119.717 119.600 0.016 0.000 2.509 428 M HA 0.052 4.525 4.480 -0.011 0.000 0.250 428 M C 0.832 177.285 176.300 0.255 0.000 1.132 428 M CA -0.019 55.241 55.300 -0.067 0.000 1.080 428 M CB 0.480 32.883 32.600 -0.328 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 0.864 116.722 115.700 0.262 0.000 2.558 429 S HA 0.023 4.486 4.470 -0.011 0.000 0.288 429 S C 1.015 175.859 174.600 0.407 0.000 1.318 429 S CA -0.378 57.999 58.200 0.296 0.000 1.056 429 S CB 0.627 63.946 63.200 0.198 0.000 0.853 429 S HN 0.225 nan 8.310 nan 0.000 0.505 430 L N 5.301 126.721 121.223 0.327 0.000 2.217 430 L HA 0.128 4.461 4.340 -0.011 0.000 0.211 430 L C 0.553 177.530 176.870 0.179 0.000 1.107 430 L CA 0.900 55.892 54.840 0.254 0.000 0.783 430 L CB -0.504 41.654 42.059 0.165 0.000 0.919 430 L HN 0.495 nan 8.230 nan 0.000 0.442 431 V N 0.328 120.358 119.914 0.193 0.000 2.406 431 V HA 0.161 4.274 4.120 -0.011 0.000 0.272 431 V C 0.329 176.507 176.094 0.140 0.000 1.043 431 V CA -0.827 61.576 62.300 0.172 0.000 0.915 431 V CB 1.104 33.061 31.823 0.223 0.000 0.988 431 V HN 0.173 nan 8.190 nan 0.000 0.466 432 E N 3.558 123.821 120.200 0.104 0.000 2.167 432 E HA 0.326 4.669 4.350 -0.011 0.000 0.284 432 E C -0.429 176.219 176.600 0.080 0.000 1.016 432 E CA -0.539 55.912 56.400 0.084 0.000 0.817 432 E CB 1.046 30.774 29.700 0.045 0.000 1.080 432 E HN 0.723 nan 8.360 nan 0.000 0.397 433 E N 2.053 122.298 120.200 0.074 0.000 2.349 433 E HA 0.626 4.969 4.350 -0.011 0.000 0.262 433 E C -0.071 176.563 176.600 0.057 0.000 1.088 433 E CA 0.701 57.139 56.400 0.064 0.000 0.899 433 E CB 1.546 31.278 29.700 0.054 0.000 1.044 433 E HN 0.712 nan 8.360 nan 0.000 0.420 434 G N 0.070 108.903 108.800 0.054 0.000 2.350 434 G HA2 0.265 4.218 3.960 -0.011 0.000 0.276 434 G HA3 0.265 4.218 3.960 -0.011 0.000 0.276 434 G C 0.327 175.258 174.900 0.053 0.000 1.313 434 G CA 0.049 45.178 45.100 0.049 0.000 0.903 434 G HN 0.591 nan 8.290 nan 0.000 0.490 435 A N -0.919 121.930 122.820 0.050 0.000 1.869 435 A HA 0.294 4.607 4.320 -0.011 0.000 0.218 435 A C 1.673 179.298 177.584 0.069 0.000 1.203 435 A CA 3.614 55.682 52.037 0.052 0.000 0.638 435 A CB -1.226 17.802 19.000 0.046 0.000 0.831 435 A HN 2.290 nan 8.150 nan 0.000 0.450 436 V N -2.740 117.224 119.914 0.085 0.000 2.459 436 V HA 0.523 4.636 4.120 -0.011 0.000 0.295 436 V C -0.493 175.665 176.094 0.108 0.000 1.029 436 V CA -1.412 60.960 62.300 0.121 0.000 0.874 436 V CB 1.393 33.313 31.823 0.163 0.000 0.985 436 V HN 0.320 nan 8.190 nan 0.000 0.438 437 K N 4.280 124.752 120.400 0.121 0.000 2.326 437 K HA 0.512 4.826 4.320 -0.011 0.000 0.275 437 K C -0.389 176.272 176.600 0.102 0.000 1.018 437 K CA -0.230 56.124 56.287 0.111 0.000 0.962 437 K CB 0.987 33.565 32.500 0.130 0.000 0.953 437 K HN 0.741 nan 8.250 nan 0.000 0.475 438 R N 1.446 121.996 120.500 0.083 0.000 2.837 438 R HA 0.478 4.811 4.340 -0.011 0.000 0.271 438 R C -0.565 175.770 176.300 0.059 0.000 0.993 438 R CA -1.027 55.111 56.100 0.063 0.000 0.931 438 R CB 1.314 31.632 30.300 0.030 0.000 1.206 438 R HN 0.378 nan 8.270 nan 0.000 0.474 439 I N 1.926 122.528 120.570 0.053 0.000 2.336 439 I HA 0.154 4.317 4.170 -0.011 0.000 0.292 439 I C -0.109 175.993 176.117 -0.025 0.000 0.991 439 I CA -0.703 60.617 61.300 0.034 0.000 1.227 439 I CB 1.076 39.095 38.000 0.031 0.000 1.366 439 I HN 0.506 nan 8.210 nan 0.000 0.466 440 N N 7.094 125.751 118.700 -0.073 0.000 2.402 440 N HA 0.098 4.832 4.740 -0.011 0.000 0.252 440 N C 0.759 176.170 175.510 -0.164 0.000 1.118 440 N CA -0.311 52.615 53.050 -0.205 0.000 0.945 440 N CB 1.002 39.232 38.487 -0.428 0.000 1.147 440 N HN 0.382 nan 8.380 nan 0.000 0.495 441 M N 2.477 121.982 119.600 -0.158 0.000 2.319 441 M HA -0.027 4.446 4.480 -0.011 0.000 0.265 441 M C 1.912 178.077 176.300 -0.224 0.000 1.068 441 M CA 0.599 55.826 55.300 -0.122 0.000 1.118 441 M CB -1.514 31.062 32.600 -0.040 0.000 1.395 441 M HN 0.607 nan 8.290 nan 0.000 0.435 442 A N -0.332 122.351 122.820 -0.227 0.000 1.902 442 A HA -0.173 4.140 4.320 -0.011 0.000 0.217 442 A C 1.987 179.359 177.584 -0.352 0.000 1.181 442 A CA 1.482 53.350 52.037 -0.281 0.000 0.623 442 A CB -1.129 17.906 19.000 0.058 0.000 0.818 442 A HN 0.591 nan 8.150 nan 0.000 0.443 443 H N -1.485 117.380 119.070 -0.342 0.000 2.389 443 H HA -0.099 4.450 4.556 -0.012 0.000 0.299 443 H C 2.096 177.212 175.328 -0.353 0.000 1.081 443 H CA 1.087 56.898 56.048 -0.394 0.000 1.345 443 H CB -0.026 29.715 29.762 -0.035 0.000 1.393 443 H HN 0.440 nan 8.280 nan 0.000 0.520 444 L N 0.656 121.805 121.223 -0.124 0.000 2.046 444 L HA -0.169 4.164 4.340 -0.011 0.000 0.208 444 L C 2.243 178.984 176.870 -0.215 0.000 1.077 444 L CA 1.460 56.223 54.840 -0.128 0.000 0.747 444 L CB -0.731 41.283 42.059 -0.075 0.000 0.896 444 L HN 0.285 nan 8.230 nan 0.000 0.432 445 C N -0.406 118.666 119.300 -0.380 0.000 2.429 445 C HA -0.105 4.348 4.460 -0.011 0.000 0.277 445 C C 2.700 177.436 174.990 -0.423 0.000 1.262 445 C CA 0.933 59.645 59.018 -0.511 0.000 1.733 445 C CB -0.931 26.130 27.740 -1.132 0.000 2.010 445 C HN 0.616 nan 8.230 nan 0.000 0.483 446 I N 1.412 121.685 120.570 -0.495 0.000 2.202 446 I HA -0.187 3.976 4.170 -0.011 0.000 0.242 446 I C 2.762 178.729 176.117 -0.250 0.000 1.091 446 I CA 1.601 62.651 61.300 -0.416 0.000 1.368 446 I CB -0.572 37.022 38.000 -0.677 0.000 1.058 446 I HN 0.257 nan 8.210 nan 0.000 0.410 447 A N 0.589 123.231 122.820 -0.297 0.000 1.908 447 A HA -0.130 4.183 4.320 -0.011 0.000 0.218 447 A C 2.205 179.836 177.584 0.080 0.000 1.181 447 A CA 1.987 53.888 52.037 -0.227 0.000 0.627 447 A CB -1.207 17.483 19.000 -0.516 0.000 0.818 447 A HN 0.486 nan 8.150 nan 0.000 0.445 448 G N -1.244 107.547 108.800 -0.015 0.000 3.337 448 G HA2 0.423 4.376 3.960 -0.011 0.000 0.246 448 G HA3 0.423 4.376 3.960 -0.011 0.000 0.246 448 G C 0.053 174.799 174.900 -0.257 0.000 1.131 448 G CA 0.470 45.446 45.100 -0.208 0.000 0.773 448 G HN 0.339 nan 8.290 nan 0.000 0.544 449 S N -0.241 115.361 115.700 -0.163 0.000 2.513 449 S HA 0.309 4.772 4.470 -0.011 0.000 0.299 449 S C 0.769 175.320 174.600 -0.082 0.000 1.087 449 S CA -0.710 57.419 58.200 -0.119 0.000 1.012 449 S CB 1.273 64.407 63.200 -0.111 0.000 1.044 449 S HN 0.507 nan 8.310 nan 0.000 0.485 450 H N 0.129 119.164 119.070 -0.058 0.000 2.548 450 H HA 0.456 5.005 4.556 -0.012 0.000 0.268 450 H C 0.143 175.465 175.328 -0.010 0.000 0.975 450 H CA 0.340 56.382 56.048 -0.010 0.000 1.195 450 H CB 0.145 29.912 29.762 0.009 0.000 1.397 450 H HN 0.509 nan 8.280 nan 0.000 0.572 451 A N 0.972 123.475 122.820 -0.529 0.000 2.488 451 A HA 0.558 4.872 4.320 -0.011 0.000 0.298 451 A C -1.411 175.974 177.584 -0.332 0.000 1.044 451 A CA -0.581 51.212 52.037 -0.408 0.000 0.693 451 A CB 2.254 20.981 19.000 -0.455 0.000 1.272 451 A HN 0.099 nan 8.150 nan 0.000 0.402 452 V N 4.219 123.906 119.914 -0.377 0.000 2.525 452 V HA 0.506 4.619 4.120 -0.011 0.000 0.299 452 V C -0.773 175.131 176.094 -0.316 0.000 1.034 452 V CA -0.790 61.276 62.300 -0.389 0.000 0.863 452 V CB 1.772 33.210 31.823 -0.642 0.000 0.999 452 V HN 1.007 nan 8.190 nan 0.000 0.423 453 N N 3.261 121.795 118.700 -0.278 0.000 2.240 453 N HA 0.613 5.346 4.740 -0.011 0.000 0.302 453 N C -0.206 175.199 175.510 -0.174 0.000 1.106 453 N CA -0.353 52.577 53.050 -0.200 0.000 0.778 453 N CB 2.900 41.249 38.487 -0.231 0.000 1.431 453 N HN 0.625 nan 8.380 nan 0.000 0.479 454 G N -0.706 108.029 108.800 -0.109 0.000 2.535 454 G HA2 0.421 4.374 3.960 -0.011 0.000 0.303 454 G HA3 0.421 4.374 3.960 -0.011 0.000 0.303 454 G C 0.736 175.700 174.900 0.106 0.000 1.237 454 G CA -0.452 44.634 45.100 -0.023 0.000 0.986 454 G HN 0.650 nan 8.290 nan 0.000 0.494 455 V N -3.936 116.168 119.914 0.316 0.000 3.380 455 V HA 0.707 4.820 4.120 -0.011 0.000 0.307 455 V C 0.527 176.704 176.094 0.139 0.000 1.434 455 V CA 0.418 62.810 62.300 0.152 0.000 1.075 455 V CB -0.669 31.197 31.823 0.072 0.000 0.954 455 V HN 1.343 nan 8.190 nan 0.000 0.444 456 A N -0.011 122.903 122.820 0.157 0.000 2.608 456 A HA 0.654 4.968 4.320 -0.011 0.000 0.292 456 A C 0.689 178.324 177.584 0.085 0.000 1.066 456 A CA -0.100 52.003 52.037 0.110 0.000 0.676 456 A CB 1.231 20.283 19.000 0.087 0.000 1.277 456 A HN 0.019 nan 8.150 nan 0.000 0.413 457 R N 0.639 121.169 120.500 0.049 0.000 2.083 457 R HA -0.144 4.190 4.340 -0.011 0.000 0.237 457 R C 1.652 177.952 176.300 0.000 0.000 1.137 457 R CA 2.222 58.330 56.100 0.012 0.000 0.951 457 R CB -0.237 30.065 30.300 0.003 0.000 0.851 457 R HN 0.818 nan 8.270 nan 0.000 0.434 458 I N 0.314 120.893 120.570 0.014 0.000 2.286 458 I HA -0.301 3.862 4.170 -0.011 0.000 0.248 458 I C 2.334 178.463 176.117 0.019 0.000 1.115 458 I CA 1.853 63.154 61.300 0.002 0.000 1.392 458 I CB -0.217 37.782 38.000 -0.003 0.000 1.065 458 I HN 0.353 nan 8.210 nan 0.000 0.418 459 H N 0.193 119.235 119.070 -0.047 0.000 2.326 459 H HA -0.110 4.439 4.556 -0.012 0.000 0.301 459 H C 2.285 177.579 175.328 -0.056 0.000 1.081 459 H CA 2.161 58.176 56.048 -0.055 0.000 1.334 459 H CB -0.246 29.490 29.762 -0.045 0.000 1.385 459 H HN 0.214 nan 8.280 nan 0.000 0.504 460 S N 0.366 115.954 115.700 -0.187 0.000 2.382 460 S HA -0.132 4.331 4.470 -0.011 0.000 0.228 460 S C 1.886 176.370 174.600 -0.193 0.000 1.027 460 S CA 1.243 59.312 58.200 -0.217 0.000 0.991 460 S CB -0.085 63.055 63.200 -0.100 0.000 0.823 460 S HN 0.489 nan 8.310 nan 0.000 0.469 461 E N 1.150 121.259 120.200 -0.152 0.000 2.072 461 E HA -0.007 4.336 4.350 -0.011 0.000 0.191 461 E C 2.038 178.529 176.600 -0.182 0.000 0.985 461 E CA 0.664 56.965 56.400 -0.165 0.000 0.801 461 E CB -0.402 29.232 29.700 -0.111 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.061 121.538 120.570 -0.154 0.000 2.264 462 I HA -0.280 3.884 4.170 -0.011 0.000 0.248 462 I C 2.419 178.415 176.117 -0.201 0.000 1.111 462 I CA 0.801 62.013 61.300 -0.147 0.000 1.382 462 I CB -0.243 37.702 38.000 -0.091 0.000 1.060 462 I HN 0.062 nan 8.210 nan 0.000 0.418 463 L N 0.374 121.440 121.223 -0.261 0.000 2.042 463 L HA -0.246 4.087 4.340 -0.011 0.000 0.210 463 L C 2.481 179.235 176.870 -0.193 0.000 1.076 463 L CA 1.622 56.317 54.840 -0.241 0.000 0.749 463 L CB -0.592 41.389 42.059 -0.130 0.000 0.893 463 L HN 0.223 nan 8.230 nan 0.000 0.432 464 K N -0.211 120.005 120.400 -0.308 0.000 2.217 464 K HA -0.095 4.218 4.320 -0.011 0.000 0.202 464 K C 1.982 178.390 176.600 -0.321 0.000 1.051 464 K CA 0.820 56.792 56.287 -0.526 0.000 0.952 464 K CB 0.109 32.063 32.500 -0.911 0.000 0.736 464 K HN 0.301 nan 8.250 nan 0.000 0.453 465 K N -0.087 120.182 120.400 -0.218 0.000 2.284 465 K HA -0.009 4.304 4.320 -0.011 0.000 0.198 465 K C 1.870 178.419 176.600 -0.085 0.000 1.048 465 K CA 1.258 57.467 56.287 -0.129 0.000 0.987 465 K CB 0.586 33.018 32.500 -0.113 0.000 0.800 465 K HN 0.238 nan 8.250 nan 0.000 0.486 466 T N -1.130 113.364 114.554 -0.100 0.000 3.257 466 T HA 0.065 4.408 4.350 -0.011 0.000 0.176 466 T C 1.958 176.618 174.700 -0.066 0.000 0.892 466 T CA -0.038 62.016 62.100 -0.077 0.000 1.147 466 T CB -0.772 68.043 68.868 -0.088 0.000 1.840 466 T HN 0.096 nan 8.240 nan 0.000 0.375 467 I N -0.934 119.538 120.570 -0.164 0.000 2.361 467 I HA 0.203 4.366 4.170 -0.011 0.000 0.251 467 I C 1.519 177.640 176.117 0.007 0.000 1.133 467 I CA 1.404 62.589 61.300 -0.192 0.000 1.413 467 I CB -0.609 37.128 38.000 -0.439 0.000 1.073 467 I HN 0.269 nan 8.210 nan 0.000 0.424 468 F N 0.832 120.854 119.950 0.121 0.000 2.668 468 F HA 0.323 4.843 4.527 -0.012 0.000 0.301 468 F C 2.048 177.936 175.800 0.146 0.000 1.106 468 F CA -0.637 57.501 58.000 0.230 0.000 1.289 468 F CB 0.140 39.279 39.000 0.230 0.000 1.006 468 F HN -0.078 nan 8.300 nan 0.000 0.535 469 K N 1.121 121.637 120.400 0.193 0.000 2.059 469 K HA -0.230 4.083 4.320 -0.011 0.000 0.212 469 K C 1.349 178.006 176.600 0.095 0.000 1.050 469 K CA 2.247 58.590 56.287 0.093 0.000 0.927 469 K CB -0.031 32.488 32.500 0.033 0.000 0.714 469 K HN 0.156 nan 8.250 nan 0.000 0.447 470 D N -0.194 120.239 120.400 0.056 0.000 2.117 470 D HA -0.161 4.472 4.640 -0.011 0.000 0.197 470 D C 1.820 178.032 176.300 -0.147 0.000 0.987 470 D CA 1.258 55.161 54.000 -0.162 0.000 0.829 470 D CB -0.297 40.309 40.800 -0.323 0.000 0.961 470 D HN 0.253 nan 8.370 nan 0.000 0.460 471 F N -0.168 119.851 119.950 0.115 0.000 2.186 471 F HA -0.139 4.381 4.527 -0.011 0.000 0.299 471 F C 2.351 178.284 175.800 0.221 0.000 1.090 471 F CA 0.490 58.635 58.000 0.242 0.000 1.307 471 F CB -0.678 38.535 39.000 0.356 0.000 1.019 471 F HN -0.040 nan 8.300 nan 0.000 0.489 472 Y N 1.430 121.690 120.300 -0.067 0.000 2.224 472 Y HA -0.211 4.332 4.550 -0.011 0.000 0.289 472 Y C 2.117 177.992 175.900 -0.041 0.000 1.146 472 Y CA 1.657 59.536 58.100 -0.367 0.000 1.182 472 Y CB -0.615 37.457 38.460 -0.646 0.000 0.983 472 Y HN 0.142 nan 8.280 nan 0.000 0.524 473 E N -0.490 119.651 120.200 -0.098 0.000 2.150 473 E HA -0.186 4.157 4.350 -0.011 0.000 0.193 473 E C 1.983 178.641 176.600 0.097 0.000 0.985 473 E CA 1.145 57.506 56.400 -0.065 0.000 0.814 473 E CB -0.243 29.458 29.700 0.001 0.000 0.752 473 E HN 0.427 nan 8.360 nan 0.000 0.466 474 L N 0.910 122.225 121.223 0.152 0.000 2.068 474 L HA -0.041 4.292 4.340 -0.011 0.000 0.204 474 L C 0.272 177.219 176.870 0.129 0.000 1.076 474 L CA 1.662 56.625 54.840 0.206 0.000 0.753 474 L CB 0.398 42.573 42.059 0.193 0.000 0.910 474 L HN -0.110 nan 8.230 nan 0.000 0.439 475 E N -0.213 120.057 120.200 0.117 0.000 3.386 475 E HA 0.179 4.522 4.350 -0.011 0.000 0.236 475 E C -1.991 174.533 176.600 -0.126 0.000 1.227 475 E CA -1.251 55.125 56.400 -0.039 0.000 0.970 475 E CB 0.785 30.469 29.700 -0.026 0.000 1.343 475 E HN 0.196 nan 8.360 nan 0.000 0.397 476 P HA -0.249 nan 4.420 nan 0.000 0.218 476 P C 1.231 178.620 177.300 0.148 0.000 1.148 476 P CA 1.411 64.423 63.100 -0.147 0.000 0.822 476 P CB -0.069 31.449 31.700 -0.303 0.000 0.784 477 H N 0.172 119.348 119.070 0.177 0.000 2.489 477 H HA 0.045 4.594 4.556 -0.012 0.000 0.293 477 H C 1.502 176.924 175.328 0.157 0.000 1.066 477 H CA 0.837 56.977 56.048 0.154 0.000 1.305 477 H CB -0.706 29.117 29.762 0.102 0.000 1.386 477 H HN 0.160 nan 8.280 nan 0.000 0.551 478 K N 0.305 120.617 120.400 -0.147 0.000 2.217 478 K HA 0.018 4.331 4.320 -0.011 0.000 0.202 478 K C -0.135 176.349 176.600 -0.193 0.000 1.051 478 K CA 0.338 56.531 56.287 -0.157 0.000 0.952 478 K CB 0.070 32.359 32.500 -0.353 0.000 0.736 478 K HN 0.113 nan 8.250 nan 0.000 0.453 479 F N 1.685 121.664 119.950 0.049 0.000 2.424 479 F HA 0.181 4.701 4.527 -0.012 0.000 0.356 479 F C 0.457 176.262 175.800 0.008 0.000 1.110 479 F CA -0.245 57.786 58.000 0.051 0.000 1.161 479 F CB 1.006 40.092 39.000 0.143 0.000 1.115 479 F HN -0.113 nan 8.300 nan 0.000 0.507 480 Q N 1.873 121.703 119.800 0.051 0.000 2.528 480 Q HA 0.343 4.676 4.340 -0.011 0.000 0.289 480 Q C -1.144 174.818 176.000 -0.062 0.000 1.091 480 Q CA -1.240 54.548 55.803 -0.026 0.000 0.797 480 Q CB 3.125 31.794 28.738 -0.115 0.000 1.466 480 Q HN 0.613 nan 8.270 nan 0.000 0.436 481 N N 0.790 119.438 118.700 -0.087 0.000 2.314 481 N HA 0.270 5.004 4.740 -0.011 0.000 0.304 481 N C -1.412 174.005 175.510 -0.154 0.000 1.073 481 N CA -0.387 52.608 53.050 -0.092 0.000 0.822 481 N CB 0.959 39.414 38.487 -0.054 0.000 1.280 481 N HN 0.273 nan 8.380 nan 0.000 0.489 482 K N 2.725 123.037 120.400 -0.147 0.000 2.675 482 K HA 0.186 4.500 4.320 -0.011 0.000 0.224 482 K C -0.949 175.664 176.600 0.021 0.000 1.003 482 K CA -0.498 55.682 56.287 -0.178 0.000 1.034 482 K CB 1.296 33.475 32.500 -0.535 0.000 1.218 482 K HN 0.540 nan 8.250 nan 0.000 0.507 483 T N 2.135 116.719 114.554 0.049 0.000 2.902 483 T HA 0.055 4.398 4.350 -0.011 0.000 0.301 483 T C 0.790 175.620 174.700 0.217 0.000 1.012 483 T CA 0.331 62.511 62.100 0.132 0.000 1.151 483 T CB 0.289 69.239 68.868 0.136 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.583 119.430 118.700 0.245 0.000 2.267 484 N HA 0.403 5.136 4.740 -0.011 0.000 0.226 484 N C 0.482 176.179 175.510 0.311 0.000 1.314 484 N CA -0.162 53.065 53.050 0.294 0.000 0.887 484 N CB 0.394 38.994 38.487 0.188 0.000 1.120 484 N HN 0.759 nan 8.380 nan 0.000 0.440 485 G N -0.633 108.359 108.800 0.319 0.000 2.687 485 G HA2 0.617 4.571 3.960 -0.011 0.000 0.291 485 G HA3 0.617 4.571 3.960 -0.011 0.000 0.291 485 G C -1.426 173.606 174.900 0.219 0.000 1.420 485 G CA -0.736 44.537 45.100 0.288 0.000 0.796 485 G HN 0.598 nan 8.290 nan 0.000 0.485 486 I N -2.403 118.283 120.570 0.194 0.000 2.828 486 I HA 0.734 4.897 4.170 -0.011 0.000 0.302 486 I C -0.234 176.039 176.117 0.259 0.000 1.101 486 I CA -0.956 60.450 61.300 0.177 0.000 1.031 486 I CB 2.433 40.433 38.000 -0.000 0.000 1.231 486 I HN 0.496 nan 8.210 nan 0.000 0.427 487 T N 4.108 118.870 114.554 0.347 0.000 2.814 487 T HA 0.364 4.708 4.350 -0.011 0.000 0.297 487 T C -1.503 173.316 174.700 0.198 0.000 0.956 487 T CA -1.560 60.671 62.100 0.218 0.000 1.123 487 T CB 0.768 69.710 68.868 0.124 0.000 0.902 487 T HN 0.629 nan 8.240 nan 0.000 0.528 488 P HA 0.084 nan 4.420 nan 0.000 0.237 488 P C 1.081 178.347 177.300 -0.057 0.000 1.178 488 P CA 0.253 63.389 63.100 0.060 0.000 0.766 488 P CB 0.335 32.056 31.700 0.034 0.000 0.876 489 R N 0.416 120.837 120.500 -0.131 0.000 2.056 489 R HA 0.014 4.347 4.340 -0.011 0.000 0.227 489 R C 2.646 178.824 176.300 -0.203 0.000 1.149 489 R CA 1.520 57.501 56.100 -0.199 0.000 0.937 489 R CB -1.238 28.948 30.300 -0.191 0.000 0.835 489 R HN 0.037 nan 8.270 nan 0.000 0.430 490 R N -0.805 119.517 120.500 -0.297 0.000 2.081 490 R HA -0.129 4.204 4.340 -0.011 0.000 0.235 490 R C 0.996 176.934 176.300 -0.603 0.000 1.131 490 R CA 1.714 57.472 56.100 -0.569 0.000 0.960 490 R CB -0.152 29.608 30.300 -0.900 0.000 0.856 490 R HN 0.302 nan 8.270 nan 0.000 0.436 491 W N -0.452 120.804 121.300 -0.074 0.000 3.388 491 W HA 0.179 4.831 4.660 -0.012 0.000 0.324 491 W C 0.906 177.393 176.519 -0.053 0.000 1.250 491 W CA -0.706 56.595 57.345 -0.075 0.000 1.809 491 W CB 0.463 29.882 29.460 -0.068 0.000 1.083 491 W HN 0.214 nan 8.180 nan 0.000 0.685 492 L N -2.235 119.038 121.223 0.083 0.000 2.511 492 L HA 0.190 4.523 4.340 -0.011 0.000 0.173 492 L C 1.735 178.617 176.870 0.019 0.000 1.160 492 L CA 0.771 55.656 54.840 0.074 0.000 0.964 492 L CB -0.789 41.342 42.059 0.120 0.000 1.892 492 L HN -0.246 nan 8.230 nan 0.000 0.497 493 V N 1.051 120.953 119.914 -0.020 0.000 2.295 493 V HA -0.255 3.859 4.120 -0.011 0.000 0.246 493 V C 2.421 178.484 176.094 -0.052 0.000 1.049 493 V CA 2.422 64.701 62.300 -0.034 0.000 1.024 493 V CB -0.644 31.130 31.823 -0.081 0.000 0.648 493 V HN 0.502 nan 8.190 nan 0.000 0.447 494 L N 0.525 121.686 121.223 -0.102 0.000 2.023 494 L HA -0.181 4.152 4.340 -0.011 0.000 0.205 494 L C 2.509 179.311 176.870 -0.114 0.000 1.073 494 L CA 2.388 57.152 54.840 -0.127 0.000 0.745 494 L CB -0.274 41.660 42.059 -0.209 0.000 0.900 494 L HN 0.646 nan 8.230 nan 0.000 0.435 495 C N -1.671 117.555 119.300 -0.123 0.000 2.563 495 C HA 0.189 4.642 4.460 -0.011 0.000 0.268 495 C C 1.206 176.174 174.990 -0.037 0.000 1.365 495 C CA -0.233 58.730 59.018 -0.091 0.000 1.754 495 C CB -1.033 26.652 27.740 -0.092 0.000 1.932 495 C HN 0.611 nan 8.230 nan 0.000 0.536 496 N N 1.040 119.729 118.700 -0.017 0.000 2.687 496 N HA 0.274 5.007 4.740 -0.011 0.000 0.275 496 N C -1.804 173.714 175.510 0.012 0.000 1.789 496 N CA -1.509 51.543 53.050 0.003 0.000 0.806 496 N CB 0.714 39.212 38.487 0.018 0.000 1.256 496 N HN 0.231 nan 8.380 nan 0.000 0.500 497 P HA -0.044 nan 4.420 nan 0.000 0.218 497 P C 1.431 178.743 177.300 0.021 0.000 1.149 497 P CA 0.910 64.017 63.100 0.013 0.000 0.817 497 P CB 0.213 31.914 31.700 0.001 0.000 0.785 498 G N 0.725 109.532 108.800 0.012 0.000 2.476 498 G HA2 -0.264 3.690 3.960 -0.011 0.000 0.218 498 G HA3 -0.264 3.690 3.960 -0.011 0.000 0.218 498 G C 1.527 176.433 174.900 0.009 0.000 1.164 498 G CA 0.780 45.884 45.100 0.007 0.000 0.768 498 G HN 0.255 nan 8.290 nan 0.000 0.560 499 L N 1.188 122.419 121.223 0.012 0.000 2.072 499 L HA 0.288 4.621 4.340 -0.011 0.000 0.205 499 L C 3.079 179.979 176.870 0.050 0.000 1.079 499 L CA 1.940 56.788 54.840 0.013 0.000 0.752 499 L CB -0.723 41.344 42.059 0.013 0.000 0.906 499 L HN 0.233 nan 8.230 nan 0.000 0.436 500 A N -0.739 122.131 122.820 0.083 0.000 1.940 500 A HA -0.262 4.051 4.320 -0.011 0.000 0.219 500 A C 2.247 179.925 177.584 0.156 0.000 1.176 500 A CA 1.856 53.993 52.037 0.168 0.000 0.631 500 A CB -0.654 18.435 19.000 0.148 0.000 0.814 500 A HN 0.537 nan 8.150 nan 0.000 0.446 501 E N 0.607 120.861 120.200 0.089 0.000 2.047 501 E HA -0.152 4.191 4.350 -0.011 0.000 0.191 501 E C 1.849 178.487 176.600 0.063 0.000 0.987 501 E CA 1.560 58.003 56.400 0.071 0.000 0.799 501 E CB -0.504 29.220 29.700 0.040 0.000 0.752 501 E HN 0.740 nan 8.360 nan 0.000 0.449 502 I N -1.661 118.940 120.570 0.053 0.000 2.394 502 I HA -0.143 4.020 4.170 -0.011 0.000 0.251 502 I C 2.138 178.320 176.117 0.109 0.000 1.136 502 I CA 1.117 62.460 61.300 0.071 0.000 1.425 502 I CB -0.377 37.647 38.000 0.041 0.000 1.079 502 I HN 0.019 nan 8.210 nan 0.000 0.425 503 I N 2.045 122.658 120.570 0.071 0.000 2.202 503 I HA -0.213 3.950 4.170 -0.011 0.000 0.242 503 I C 3.023 179.094 176.117 -0.076 0.000 1.091 503 I CA 1.425 62.689 61.300 -0.059 0.000 1.368 503 I CB -0.528 37.313 38.000 -0.265 0.000 1.058 503 I HN 0.307 nan 8.210 nan 0.000 0.410 504 A N 0.395 123.264 122.820 0.080 0.000 1.933 504 A HA -0.223 4.090 4.320 -0.011 0.000 0.218 504 A C 2.174 179.790 177.584 0.054 0.000 1.175 504 A CA 1.590 53.723 52.037 0.160 0.000 0.628 504 A CB -0.601 18.523 19.000 0.206 0.000 0.814 504 A HN 0.452 nan 8.150 nan 0.000 0.444 505 E N -0.627 119.585 120.200 0.021 0.000 2.130 505 E HA -0.225 4.118 4.350 -0.011 0.000 0.196 505 E C 2.234 178.800 176.600 -0.058 0.000 0.998 505 E CA 1.253 57.649 56.400 -0.007 0.000 0.806 505 E CB -0.105 29.595 29.700 -0.000 0.000 0.738 505 E HN 0.435 nan 8.360 nan 0.000 0.459 506 R N 0.193 120.603 120.500 -0.152 0.000 2.075 506 R HA 0.054 4.387 4.340 -0.011 0.000 0.220 506 R C 2.355 178.577 176.300 -0.129 0.000 1.118 506 R CA 0.929 56.865 56.100 -0.274 0.000 0.986 506 R CB -0.358 29.459 30.300 -0.805 0.000 0.884 506 R HN 0.358 nan 8.270 nan 0.000 0.439 507 I N -3.264 117.248 120.570 -0.098 0.000 4.154 507 I HA 0.440 4.603 4.170 -0.011 0.000 0.334 507 I C 0.434 176.592 176.117 0.068 0.000 1.371 507 I CA 0.111 61.405 61.300 -0.011 0.000 1.110 507 I CB 0.762 38.740 38.000 -0.036 0.000 1.085 507 I HN 0.169 nan 8.210 nan 0.000 0.398 508 G N 2.051 110.901 108.800 0.083 0.000 2.698 508 G HA2 -0.228 3.725 3.960 -0.011 0.000 0.225 508 G HA3 -0.228 3.725 3.960 -0.011 0.000 0.225 508 G C -0.040 174.985 174.900 0.209 0.000 1.345 508 G CA 0.207 45.376 45.100 0.114 0.000 0.871 508 G HN 0.434 nan 8.290 nan 0.000 0.540 509 E N -0.209 120.066 120.200 0.125 0.000 2.476 509 E HA 0.106 4.449 4.350 -0.011 0.000 0.199 509 E C 1.977 178.533 176.600 -0.073 0.000 1.021 509 E CA 0.245 56.665 56.400 0.034 0.000 0.907 509 E CB 0.240 29.950 29.700 0.017 0.000 0.974 509 E HN 0.611 nan 8.360 nan 0.000 0.489 510 E N 0.226 120.448 120.200 0.038 0.000 2.265 510 E HA -0.194 4.149 4.350 -0.011 0.000 0.196 510 E C 1.597 178.191 176.600 -0.009 0.000 0.996 510 E CA 0.870 57.283 56.400 0.022 0.000 0.832 510 E CB -0.078 29.657 29.700 0.059 0.000 0.756 510 E HN 0.485 nan 8.360 nan 0.000 0.491 511 Y N -0.732 119.573 120.300 0.009 0.000 2.421 511 Y HA -0.071 4.473 4.550 -0.010 0.000 0.292 511 Y C 1.780 177.659 175.900 -0.035 0.000 1.136 511 Y CA 0.545 58.642 58.100 -0.005 0.000 1.255 511 Y CB -0.555 37.905 38.460 -0.000 0.000 0.991 511 Y HN -0.071 nan 8.280 nan 0.000 0.552 512 I N 0.979 121.072 120.570 -0.795 0.000 2.361 512 I HA -0.242 3.921 4.170 -0.011 0.000 0.251 512 I C 1.739 177.606 176.117 -0.418 0.000 1.133 512 I CA 1.830 62.716 61.300 -0.689 0.000 1.413 512 I CB -0.383 37.121 38.000 -0.826 0.000 1.073 512 I HN 0.462 nan 8.210 nan 0.000 0.424 513 S N -2.002 113.558 115.700 -0.233 0.000 2.593 513 S HA 0.171 4.634 4.470 -0.011 0.000 0.236 513 S C 0.164 174.751 174.600 -0.022 0.000 0.991 513 S CA -0.453 57.691 58.200 -0.094 0.000 0.963 513 S CB 0.289 63.508 63.200 0.032 0.000 0.865 513 S HN 0.293 nan 8.310 nan 0.000 0.488 514 D N 0.623 121.018 120.400 -0.009 0.000 2.823 514 D HA 0.246 4.879 4.640 -0.011 0.000 0.255 514 D C 0.291 176.634 176.300 0.071 0.000 1.257 514 D CA -0.372 53.647 54.000 0.031 0.000 0.803 514 D CB 0.391 41.214 40.800 0.038 0.000 1.384 514 D HN 0.077 nan 8.370 nan 0.000 0.541 515 L N 1.256 122.522 121.223 0.070 0.000 2.265 515 L HA 0.012 4.345 4.340 -0.011 0.000 0.215 515 L C 1.438 178.361 176.870 0.088 0.000 1.117 515 L CA 1.501 56.412 54.840 0.118 0.000 0.782 515 L CB -0.075 42.047 42.059 0.105 0.000 0.914 515 L HN 0.281 nan 8.230 nan 0.000 0.441 516 D N -0.665 119.762 120.400 0.046 0.000 2.265 516 D HA -0.227 4.407 4.640 -0.011 0.000 0.208 516 D C 1.913 178.233 176.300 0.035 0.000 0.977 516 D CA 0.870 54.883 54.000 0.022 0.000 0.871 516 D CB 0.049 40.850 40.800 0.001 0.000 0.925 516 D HN 0.554 nan 8.370 nan 0.000 0.485 517 Q N -0.049 119.790 119.800 0.064 0.000 2.364 517 Q HA -0.054 4.279 4.340 -0.011 0.000 0.209 517 Q C 2.292 178.311 176.000 0.032 0.000 0.977 517 Q CA 0.250 56.092 55.803 0.064 0.000 0.885 517 Q CB 0.005 28.809 28.738 0.111 0.000 0.941 517 Q HN 0.397 nan 8.270 nan 0.000 0.464 518 L N 0.181 121.417 121.223 0.022 0.000 2.349 518 L HA -0.194 4.139 4.340 -0.011 0.000 0.220 518 L C 2.282 179.147 176.870 -0.008 0.000 1.130 518 L CA 0.863 55.682 54.840 -0.035 0.000 0.791 518 L CB -0.376 41.673 42.059 -0.016 0.000 0.918 518 L HN 0.216 nan 8.230 nan 0.000 0.444 519 R N 0.437 120.942 120.500 0.008 0.000 2.127 519 R HA -0.187 4.146 4.340 -0.011 0.000 0.238 519 R C 2.112 178.415 176.300 0.006 0.000 1.134 519 R CA 1.158 57.264 56.100 0.009 0.000 0.975 519 R CB -0.224 30.079 30.300 0.004 0.000 0.865 519 R HN 0.410 nan 8.270 nan 0.000 0.447 520 K N 0.585 120.989 120.400 0.006 0.000 2.281 520 K HA -0.122 4.191 4.320 -0.011 0.000 0.203 520 K C 1.865 178.495 176.600 0.049 0.000 1.046 520 K CA 0.935 57.232 56.287 0.016 0.000 0.938 520 K CB -0.119 32.397 32.500 0.028 0.000 0.737 520 K HN 0.213 nan 8.250 nan 0.000 0.458 521 L N 0.511 121.752 121.223 0.031 0.000 2.362 521 L HA -0.135 4.198 4.340 -0.011 0.000 0.219 521 L C 1.769 178.690 176.870 0.085 0.000 1.134 521 L CA 0.061 54.934 54.840 0.055 0.000 0.807 521 L CB -0.256 41.794 42.059 -0.014 0.000 0.927 521 L HN 0.132 nan 8.230 nan 0.000 0.447 522 L N -0.443 120.802 121.223 0.037 0.000 2.191 522 L HA -0.167 4.166 4.340 -0.011 0.000 0.212 522 L C 2.531 179.379 176.870 -0.036 0.000 1.103 522 L CA 1.422 56.273 54.840 0.017 0.000 0.769 522 L CB -1.012 41.047 42.059 0.001 0.000 0.908 522 L HN 0.146 nan 8.230 nan 0.000 0.438 523 S N -1.694 113.934 115.700 -0.120 0.000 2.500 523 S HA -0.118 4.345 4.470 -0.011 0.000 0.239 523 S C 1.112 175.423 174.600 -0.482 0.000 0.989 523 S CA 0.703 58.709 58.200 -0.324 0.000 0.951 523 S CB -0.274 62.637 63.200 -0.482 0.000 0.759 523 S HN 0.480 nan 8.310 nan 0.000 0.523 524 Y N -1.095 119.131 120.300 -0.123 0.000 2.531 524 Y HA 0.350 4.898 4.550 -0.004 0.000 0.249 524 Y C 1.697 177.632 175.900 0.058 0.000 1.168 524 Y CA -0.466 57.562 58.100 -0.120 0.000 1.226 524 Y CB -0.005 38.169 38.460 -0.476 0.000 1.177 524 Y HN 0.068 nan 8.280 nan 0.000 0.527 525 V N 0.484 120.485 119.914 0.145 0.000 2.594 525 V HA -0.219 3.894 4.120 -0.011 0.000 0.253 525 V C 0.906 177.067 176.094 0.112 0.000 1.069 525 V CA 2.229 64.615 62.300 0.143 0.000 1.082 525 V CB -0.023 31.847 31.823 0.078 0.000 0.680 525 V HN 0.358 nan 8.190 nan 0.000 0.469 526 D N -0.683 119.763 120.400 0.077 0.000 2.440 526 D HA 0.125 4.758 4.640 -0.011 0.000 0.216 526 D C 0.217 176.563 176.300 0.077 0.000 1.150 526 D CA -0.035 54.001 54.000 0.059 0.000 0.832 526 D CB 0.166 40.978 40.800 0.021 0.000 0.992 526 D HN 0.426 nan 8.370 nan 0.000 0.502 527 D N 1.422 121.904 120.400 0.137 0.000 2.336 527 D HA -0.005 4.628 4.640 -0.011 0.000 0.249 527 D C 1.111 177.517 176.300 0.176 0.000 1.213 527 D CA -0.055 54.048 54.000 0.172 0.000 0.870 527 D CB 1.661 42.639 40.800 0.296 0.000 1.076 527 D HN -0.181 nan 8.370 nan 0.000 0.483 528 E N 3.079 123.347 120.200 0.114 0.000 2.150 528 E HA -0.115 4.228 4.350 -0.011 0.000 0.193 528 E C 1.729 178.381 176.600 0.087 0.000 0.985 528 E CA 1.232 57.682 56.400 0.084 0.000 0.814 528 E CB 0.059 29.791 29.700 0.053 0.000 0.752 528 E HN 0.583 nan 8.360 nan 0.000 0.466 529 A N -0.170 122.717 122.820 0.113 0.000 1.855 529 A HA -0.150 4.163 4.320 -0.011 0.000 0.215 529 A C 2.193 179.856 177.584 0.131 0.000 1.191 529 A CA 1.347 53.447 52.037 0.105 0.000 0.613 529 A CB -0.987 18.078 19.000 0.109 0.000 0.829 529 A HN 0.450 nan 8.150 nan 0.000 0.442 530 F N 0.447 120.410 119.950 0.022 0.000 2.134 530 F HA -0.154 4.367 4.527 -0.010 0.000 0.299 530 F C 2.045 177.848 175.800 0.006 0.000 1.097 530 F CA 1.647 59.644 58.000 -0.005 0.000 1.264 530 F CB -0.127 38.877 39.000 0.006 0.000 1.001 530 F HN 0.169 nan 8.300 nan 0.000 0.479 531 I N 0.182 120.779 120.570 0.046 0.000 2.194 531 I HA -0.368 3.795 4.170 -0.011 0.000 0.246 531 I C 2.597 178.656 176.117 -0.097 0.000 1.093 531 I CA 1.736 63.008 61.300 -0.047 0.000 1.355 531 I CB -0.523 37.498 38.000 0.036 0.000 1.046 531 I HN 0.113 nan 8.210 nan 0.000 0.413 532 R N 0.792 121.260 120.500 -0.053 0.000 2.075 532 R HA -0.180 4.153 4.340 -0.011 0.000 0.232 532 R C 1.859 178.102 176.300 -0.095 0.000 1.126 532 R CA 1.809 57.875 56.100 -0.056 0.000 0.963 532 R CB -0.090 30.198 30.300 -0.021 0.000 0.858 532 R HN 0.294 nan 8.270 nan 0.000 0.435 533 D N -0.279 120.041 120.400 -0.133 0.000 2.117 533 D HA -0.113 4.521 4.640 -0.011 0.000 0.198 533 D C 1.950 178.111 176.300 -0.232 0.000 0.982 533 D CA 1.127 55.033 54.000 -0.156 0.000 0.828 533 D CB -0.186 40.536 40.800 -0.130 0.000 0.967 533 D HN 0.066 nan 8.370 nan 0.000 0.464 534 V N 1.559 121.233 119.914 -0.400 0.000 2.287 534 V HA -0.267 3.846 4.120 -0.011 0.000 0.248 534 V C 2.526 178.518 176.094 -0.169 0.000 1.053 534 V CA 1.996 64.081 62.300 -0.357 0.000 1.027 534 V CB -0.823 30.712 31.823 -0.479 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.485 122.256 122.820 -0.131 0.000 1.969 535 A HA -0.240 4.073 4.320 -0.011 0.000 0.218 535 A C 2.344 179.885 177.584 -0.071 0.000 1.169 535 A CA 2.036 54.030 52.037 -0.072 0.000 0.635 535 A CB -0.456 18.507 19.000 -0.061 0.000 0.810 535 A HN 0.555 nan 8.150 nan 0.000 0.445 536 K N -0.195 120.158 120.400 -0.078 0.000 2.057 536 K HA -0.084 4.229 4.320 -0.011 0.000 0.206 536 K C 1.782 178.350 176.600 -0.054 0.000 1.050 536 K CA 1.582 57.833 56.287 -0.061 0.000 0.935 536 K CB -0.269 32.197 32.500 -0.055 0.000 0.715 536 K HN 0.200 nan 8.250 nan 0.000 0.439 537 V N 1.758 121.634 119.914 -0.063 0.000 2.343 537 V HA -0.244 3.869 4.120 -0.011 0.000 0.247 537 V C 2.402 178.476 176.094 -0.034 0.000 1.051 537 V CA 2.047 64.320 62.300 -0.046 0.000 1.036 537 V CB -0.469 31.321 31.823 -0.056 0.000 0.654 537 V HN 0.372 nan 8.190 nan 0.000 0.451 538 K N 0.405 120.782 120.400 -0.038 0.000 2.026 538 K HA -0.223 4.090 4.320 -0.011 0.000 0.208 538 K C 2.170 178.736 176.600 -0.056 0.000 1.048 538 K CA 1.766 58.036 56.287 -0.029 0.000 0.929 538 K CB -0.519 31.980 32.500 -0.003 0.000 0.713 538 K HN 0.365 nan 8.250 nan 0.000 0.439 539 Q N 1.126 120.886 119.800 -0.065 0.000 2.096 539 Q HA -0.144 4.189 4.340 -0.011 0.000 0.204 539 Q C 1.677 177.649 176.000 -0.047 0.000 0.982 539 Q CA 2.109 57.865 55.803 -0.078 0.000 0.850 539 Q CB -0.152 28.545 28.738 -0.068 0.000 0.901 539 Q HN 0.531 nan 8.270 nan 0.000 0.422 540 E N -0.477 119.707 120.200 -0.025 0.000 2.077 540 E HA -0.168 4.175 4.350 -0.011 0.000 0.193 540 E C 1.793 178.407 176.600 0.023 0.000 0.989 540 E CA 1.023 57.422 56.400 -0.001 0.000 0.800 540 E CB -0.129 29.570 29.700 -0.003 0.000 0.746 540 E HN 0.406 nan 8.360 nan 0.000 0.452 541 N N 1.076 119.786 118.700 0.017 0.000 2.120 541 N HA -0.145 4.589 4.740 -0.011 0.000 0.188 541 N C 1.512 177.082 175.510 0.100 0.000 1.024 541 N CA 1.106 54.184 53.050 0.047 0.000 0.852 541 N CB -0.109 38.391 38.487 0.022 0.000 1.003 541 N HN 0.148 nan 8.380 nan 0.000 0.424 542 K N 0.490 120.908 120.400 0.030 0.000 2.097 542 K HA 0.033 4.346 4.320 -0.011 0.000 0.205 542 K C 2.098 178.799 176.600 0.169 0.000 1.050 542 K CA 0.581 56.888 56.287 0.033 0.000 0.938 542 K CB -0.111 32.151 32.500 -0.395 0.000 0.718 542 K HN 0.112 nan 8.250 nan 0.000 0.442 543 L N 1.154 122.429 121.223 0.087 0.000 2.027 543 L HA -0.188 4.145 4.340 -0.011 0.000 0.206 543 L C 2.613 179.563 176.870 0.134 0.000 1.074 543 L CA 1.297 56.195 54.840 0.097 0.000 0.745 543 L CB -0.327 41.761 42.059 0.047 0.000 0.898 543 L HN 0.156 nan 8.230 nan 0.000 0.433 544 K N -0.238 120.246 120.400 0.141 0.000 2.063 544 K HA -0.247 4.067 4.320 -0.011 0.000 0.208 544 K C 2.170 178.913 176.600 0.237 0.000 1.048 544 K CA 1.697 58.079 56.287 0.157 0.000 0.928 544 K CB -0.166 32.414 32.500 0.133 0.000 0.713 544 K HN 0.089 nan 8.250 nan 0.000 0.442 545 F N 0.978 121.016 119.950 0.147 0.000 2.206 545 F HA 0.004 4.524 4.527 -0.011 0.000 0.298 545 F C 1.983 177.924 175.800 0.235 0.000 1.090 545 F CA 1.081 59.194 58.000 0.189 0.000 1.323 545 F CB -0.361 38.750 39.000 0.186 0.000 1.028 545 F HN 0.078 nan 8.300 nan 0.000 0.492 546 A N 0.255 123.221 122.820 0.243 0.000 1.940 546 A HA -0.088 4.225 4.320 -0.011 0.000 0.219 546 A C 2.382 179.965 177.584 -0.001 0.000 1.176 546 A CA 1.788 53.894 52.037 0.115 0.000 0.631 546 A CB -1.460 17.665 19.000 0.210 0.000 0.814 546 A HN 0.441 nan 8.150 nan 0.000 0.446 547 A N -1.761 121.082 122.820 0.039 0.000 1.968 547 A HA -0.018 4.295 4.320 -0.011 0.000 0.217 547 A C 2.088 179.669 177.584 -0.005 0.000 1.169 547 A CA 1.432 53.473 52.037 0.006 0.000 0.638 547 A CB -0.717 18.306 19.000 0.038 0.000 0.812 547 A HN 0.739 nan 8.150 nan 0.000 0.446 548 Y N 0.577 120.811 120.300 -0.110 0.000 2.181 548 Y HA -0.159 4.384 4.550 -0.011 0.000 0.288 548 Y C 1.893 177.708 175.900 -0.142 0.000 1.146 548 Y CA 1.836 59.862 58.100 -0.122 0.000 1.164 548 Y CB -0.236 38.144 38.460 -0.133 0.000 0.982 548 Y HN 0.206 nan 8.280 nan 0.000 0.515 549 L N 0.083 121.197 121.223 -0.181 0.000 2.046 549 L HA -0.206 4.128 4.340 -0.011 0.000 0.208 549 L C 2.382 179.187 176.870 -0.108 0.000 1.077 549 L CA 1.752 56.494 54.840 -0.163 0.000 0.747 549 L CB -0.520 41.403 42.059 -0.228 0.000 0.896 549 L HN 0.340 nan 8.230 nan 0.000 0.432 550 E N -0.354 119.764 120.200 -0.136 0.000 2.072 550 E HA -0.223 4.120 4.350 -0.011 0.000 0.190 550 E C 2.205 178.733 176.600 -0.120 0.000 0.982 550 E CA 0.687 57.012 56.400 -0.125 0.000 0.803 550 E CB -0.083 29.493 29.700 -0.207 0.000 0.755 550 E HN 0.361 nan 8.360 nan 0.000 0.453 551 R N 1.107 121.510 120.500 -0.162 0.000 2.082 551 R HA -0.160 4.173 4.340 -0.011 0.000 0.234 551 R C 1.900 178.046 176.300 -0.257 0.000 1.136 551 R CA 1.528 57.521 56.100 -0.177 0.000 0.935 551 R CB 0.065 30.263 30.300 -0.170 0.000 0.842 551 R HN 0.044 nan 8.270 nan 0.000 0.430 552 E N -1.019 118.919 120.200 -0.438 0.000 2.385 552 E HA -0.090 4.253 4.350 -0.011 0.000 0.194 552 E C 0.637 176.775 176.600 -0.770 0.000 1.013 552 E CA 0.836 56.843 56.400 -0.655 0.000 0.866 552 E CB 0.386 29.485 29.700 -1.002 0.000 0.832 552 E HN 0.518 nan 8.360 nan 0.000 0.500 553 Y N -0.492 119.687 120.300 -0.201 0.000 2.666 553 Y HA 0.211 4.754 4.550 -0.012 0.000 0.260 553 Y C -0.023 175.849 175.900 -0.047 0.000 1.089 553 Y CA -0.586 57.455 58.100 -0.099 0.000 1.246 553 Y CB 0.728 39.136 38.460 -0.087 0.000 1.353 553 Y HN -0.225 nan 8.280 nan 0.000 0.558 554 K N 0.694 121.127 120.400 0.055 0.000 3.148 554 K HA -0.134 4.179 4.320 -0.011 0.000 0.267 554 K C -0.968 175.719 176.600 0.146 0.000 0.996 554 K CA 0.846 57.184 56.287 0.084 0.000 0.737 554 K CB -1.713 30.830 32.500 0.072 0.000 1.308 554 K HN 0.201 nan 8.250 nan 0.000 0.470 555 V N -2.131 117.855 119.914 0.119 0.000 2.487 555 V HA 0.464 4.577 4.120 -0.011 0.000 0.298 555 V C 0.233 176.393 176.094 0.111 0.000 1.028 555 V CA -0.799 61.576 62.300 0.124 0.000 0.860 555 V CB 1.802 33.658 31.823 0.055 0.000 0.991 555 V HN 0.281 nan 8.190 nan 0.000 0.427 556 H N 5.630 124.693 119.070 -0.011 0.000 2.604 556 H HA 0.654 5.203 4.556 -0.011 0.000 0.306 556 H C -0.357 174.963 175.328 -0.014 0.000 1.075 556 H CA -0.132 55.912 56.048 -0.006 0.000 1.357 556 H CB 1.925 31.689 29.762 0.003 0.000 1.426 556 H HN 0.869 nan 8.280 nan 0.000 0.470 557 I N 0.513 121.113 120.570 0.050 0.000 2.730 557 I HA 0.330 4.493 4.170 -0.011 0.000 0.298 557 I C -0.322 175.855 176.117 0.100 0.000 1.089 557 I CA -1.295 60.033 61.300 0.047 0.000 1.041 557 I CB 2.115 40.102 38.000 -0.022 0.000 1.235 557 I HN 0.292 nan 8.210 nan 0.000 0.423 558 N N 5.547 124.319 118.700 0.121 0.000 2.401 558 N HA 0.385 5.118 4.740 -0.011 0.000 0.255 558 N C -1.997 173.658 175.510 0.241 0.000 1.110 558 N CA -2.341 50.794 53.050 0.141 0.000 0.949 558 N CB 1.028 39.574 38.487 0.099 0.000 1.110 558 N HN 0.394 nan 8.380 nan 0.000 0.490 559 P HA 0.037 nan 4.420 nan 0.000 0.230 559 P C -0.095 177.199 177.300 -0.009 0.000 1.158 559 P CA 0.980 64.168 63.100 0.146 0.000 0.769 559 P CB 0.192 31.943 31.700 0.085 0.000 0.807 560 N N -1.063 117.664 118.700 0.044 0.000 2.412 560 N HA -0.003 4.730 4.740 -0.011 0.000 0.184 560 N C 0.424 175.968 175.510 0.055 0.000 1.101 560 N CA -0.071 52.993 53.050 0.023 0.000 0.881 560 N CB -0.001 38.509 38.487 0.038 0.000 0.969 560 N HN 0.157 nan 8.380 nan 0.000 0.459 561 S N 0.280 116.031 115.700 0.085 0.000 2.614 561 S HA 0.191 4.654 4.470 -0.011 0.000 0.265 561 S C 0.036 174.613 174.600 -0.038 0.000 1.303 561 S CA -0.923 57.310 58.200 0.056 0.000 1.000 561 S CB 1.111 64.375 63.200 0.106 0.000 0.935 561 S HN 0.185 nan 8.310 nan 0.000 0.551 562 L N 2.083 123.115 121.223 -0.318 0.000 2.418 562 L HA 0.369 4.702 4.340 -0.011 0.000 0.274 562 L C -0.917 175.935 176.870 -0.031 0.000 1.135 562 L CA -0.524 53.945 54.840 -0.618 0.000 0.870 562 L CB -0.231 41.187 42.059 -1.069 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.351 124.169 119.950 -0.220 0.000 2.404 563 F HA 0.122 4.643 4.527 -0.010 0.000 0.359 563 F C 0.365 176.103 175.800 -0.103 0.000 1.134 563 F CA -0.794 57.145 58.000 -0.102 0.000 1.160 563 F CB 0.616 39.602 39.000 -0.023 0.000 1.186 563 F HN 0.525 nan 8.300 nan 0.000 0.526 564 D N 4.771 125.175 120.400 0.008 0.000 2.392 564 D HA 0.365 4.998 4.640 -0.011 0.000 0.228 564 D C -1.124 175.123 176.300 -0.090 0.000 1.074 564 D CA -0.231 53.733 54.000 -0.060 0.000 0.838 564 D CB 1.526 42.274 40.800 -0.087 0.000 1.067 564 D HN 0.124 nan 8.370 nan 0.000 0.511 565 V N 4.468 124.310 119.914 -0.120 0.000 2.531 565 V HA 0.382 4.495 4.120 -0.011 0.000 0.301 565 V C -0.343 175.610 176.094 -0.234 0.000 1.034 565 V CA -0.826 61.390 62.300 -0.140 0.000 0.865 565 V CB 1.786 33.598 31.823 -0.019 0.000 0.995 565 V HN 0.538 nan 8.190 nan 0.000 0.424 566 Q N 3.823 123.501 119.800 -0.204 0.000 2.394 566 Q HA 0.663 4.996 4.340 -0.011 0.000 0.261 566 Q C -1.375 174.469 176.000 -0.261 0.000 1.023 566 Q CA -0.472 55.197 55.803 -0.224 0.000 0.720 566 Q CB 1.933 30.566 28.738 -0.174 0.000 1.241 566 Q HN 0.795 nan 8.270 nan 0.000 0.483 567 V N 1.593 121.342 119.914 -0.276 0.000 2.483 567 V HA 0.873 4.986 4.120 -0.011 0.000 0.297 567 V C -0.981 174.851 176.094 -0.436 0.000 1.027 567 V CA -0.544 61.411 62.300 -0.574 0.000 0.855 567 V CB 1.191 32.434 31.823 -0.967 0.000 0.995 567 V HN 0.840 nan 8.190 nan 0.000 0.424 568 K N 2.575 122.759 120.400 -0.361 0.000 3.040 568 K HA 0.442 4.755 4.320 -0.011 0.000 0.300 568 K C -1.236 175.367 176.600 0.005 0.000 1.092 568 K CA -1.215 55.040 56.287 -0.054 0.000 0.831 568 K CB 0.833 33.290 32.500 -0.072 0.000 1.469 568 K HN 0.445 nan 8.250 nan 0.000 0.365 569 R N 0.896 121.447 120.500 0.085 0.000 2.698 569 R HA 0.164 4.497 4.340 -0.011 0.000 0.266 569 R C 0.301 176.627 176.300 0.044 0.000 1.026 569 R CA -0.336 55.827 56.100 0.105 0.000 1.102 569 R CB -0.128 30.262 30.300 0.150 0.000 0.978 569 R HN 0.473 nan 8.270 nan 0.000 0.436 570 I N 3.391 123.996 120.570 0.058 0.000 2.452 570 I HA 0.121 4.284 4.170 -0.011 0.000 0.287 570 I C 0.461 176.567 176.117 -0.018 0.000 1.079 570 I CA 0.323 61.613 61.300 -0.017 0.000 1.387 570 I CB -0.350 37.627 38.000 -0.039 0.000 1.404 570 I HN 0.526 nan 8.210 nan 0.000 0.522 571 H N 3.259 122.232 119.070 -0.161 0.000 3.046 571 H HA 0.220 4.769 4.556 -0.011 0.000 0.363 571 H C 0.637 175.859 175.328 -0.176 0.000 1.203 571 H CA -0.446 55.554 56.048 -0.079 0.000 1.169 571 H CB 1.864 31.587 29.762 -0.064 0.000 1.851 571 H HN 0.587 nan 8.280 nan 0.000 0.546 572 E N 1.776 122.056 120.200 0.133 0.000 2.130 572 E HA -0.287 4.056 4.350 -0.011 0.000 0.196 572 E C 1.221 177.689 176.600 -0.220 0.000 0.998 572 E CA 1.873 58.327 56.400 0.090 0.000 0.806 572 E CB -0.055 29.848 29.700 0.339 0.000 0.738 572 E HN 0.639 nan 8.360 nan 0.000 0.459 573 Y N 0.590 120.552 120.300 -0.563 0.000 2.352 573 Y HA -0.014 4.529 4.550 -0.012 0.000 0.292 573 Y C 1.533 177.171 175.900 -0.437 0.000 1.136 573 Y CA 0.822 58.270 58.100 -1.086 0.000 1.227 573 Y CB -0.093 37.669 38.460 -1.163 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.545 574 K N 0.663 120.594 120.400 -0.782 0.000 2.432 574 K HA 0.082 4.395 4.320 -0.011 0.000 0.196 574 K C 0.167 176.597 176.600 -0.282 0.000 1.038 574 K CA 0.505 56.450 56.287 -0.569 0.000 0.986 574 K CB -0.015 32.134 32.500 -0.585 0.000 0.782 574 K HN 0.239 nan 8.250 nan 0.000 0.485 575 R N 0.276 120.646 120.500 -0.216 0.000 3.423 575 R HA -0.233 4.100 4.340 -0.011 0.000 0.271 575 R C 0.305 176.534 176.300 -0.120 0.000 1.093 575 R CA 0.247 56.272 56.100 -0.125 0.000 0.730 575 R CB -2.002 28.239 30.300 -0.097 0.000 1.190 575 R HN 0.292 nan 8.270 nan 0.000 0.437 576 Q N 0.383 120.110 119.800 -0.122 0.000 2.248 576 Q HA -0.110 4.223 4.340 -0.011 0.000 0.208 576 Q C 2.037 177.995 176.000 -0.069 0.000 0.984 576 Q CA 1.669 57.415 55.803 -0.095 0.000 0.875 576 Q CB -0.043 28.642 28.738 -0.088 0.000 0.910 576 Q HN 0.588 nan 8.270 nan 0.000 0.433 577 L N -0.669 120.517 121.223 -0.062 0.000 2.083 577 L HA -0.179 4.154 4.340 -0.011 0.000 0.209 577 L C 2.028 178.906 176.870 0.013 0.000 1.083 577 L CA 0.517 55.335 54.840 -0.035 0.000 0.752 577 L CB -0.340 41.709 42.059 -0.016 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.113 121.337 121.223 0.002 0.000 2.046 578 L HA -0.246 4.087 4.340 -0.011 0.000 0.208 578 L C 2.041 178.973 176.870 0.103 0.000 1.077 578 L CA 1.922 56.774 54.840 0.021 0.000 0.747 578 L CB -0.855 41.109 42.059 -0.158 0.000 0.896 578 L HN 0.283 nan 8.230 nan 0.000 0.432 579 N N -1.596 117.131 118.700 0.044 0.000 2.069 579 N HA -0.257 4.476 4.740 -0.011 0.000 0.191 579 N C 1.967 177.562 175.510 0.143 0.000 1.031 579 N CA 1.830 54.982 53.050 0.170 0.000 0.852 579 N CB -0.165 38.353 38.487 0.051 0.000 1.018 579 N HN 0.501 nan 8.380 nan 0.000 0.423 580 C N 0.568 119.888 119.300 0.033 0.000 2.401 580 C HA -0.110 4.344 4.460 -0.011 0.000 0.276 580 C C 2.596 177.582 174.990 -0.006 0.000 1.233 580 C CA 0.456 59.448 59.018 -0.043 0.000 1.753 580 C CB -1.304 26.359 27.740 -0.129 0.000 2.029 580 C HN 0.505 nan 8.230 nan 0.000 0.478 581 L N -0.525 120.756 121.223 0.097 0.000 2.083 581 L HA -0.184 4.149 4.340 -0.011 0.000 0.209 581 L C 2.761 179.789 176.870 0.263 0.000 1.083 581 L CA 1.731 56.673 54.840 0.171 0.000 0.752 581 L CB -1.026 41.196 42.059 0.271 0.000 0.899 581 L HN 0.585 nan 8.230 nan 0.000 0.433 582 H N -0.084 119.099 119.070 0.188 0.000 2.357 582 H HA -0.129 4.420 4.556 -0.011 0.000 0.301 582 H C 2.228 177.550 175.328 -0.010 0.000 1.082 582 H CA 1.801 57.874 56.048 0.043 0.000 1.342 582 H CB 0.368 30.073 29.762 -0.094 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 1.554 121.392 119.914 -0.128 0.000 2.287 583 V HA -0.278 3.835 4.120 -0.011 0.000 0.248 583 V C 2.813 178.845 176.094 -0.102 0.000 1.053 583 V CA 1.926 64.119 62.300 -0.180 0.000 1.027 583 V CB -0.509 31.252 31.823 -0.103 0.000 0.646 583 V HN 0.385 nan 8.190 nan 0.000 0.447 584 I N -0.175 120.369 120.570 -0.044 0.000 2.286 584 I HA -0.221 3.942 4.170 -0.011 0.000 0.248 584 I C 2.511 178.683 176.117 0.092 0.000 1.115 584 I CA 1.711 63.051 61.300 0.067 0.000 1.392 584 I CB -0.753 37.262 38.000 0.025 0.000 1.065 584 I HN 0.320 nan 8.210 nan 0.000 0.418 585 T N 1.295 115.864 114.554 0.024 0.000 2.684 585 T HA -0.166 4.177 4.350 -0.011 0.000 0.267 585 T C 1.882 176.538 174.700 -0.074 0.000 1.036 585 T CA 1.300 63.406 62.100 0.009 0.000 1.148 585 T CB -0.282 68.622 68.868 0.060 0.000 0.863 585 T HN 0.079 nan 8.240 nan 0.000 0.436 586 L N 0.044 121.153 121.223 -0.190 0.000 2.012 586 L HA -0.029 4.304 4.340 -0.011 0.000 0.210 586 L C 2.105 178.936 176.870 -0.065 0.000 1.073 586 L CA 1.584 56.309 54.840 -0.192 0.000 0.748 586 L CB -1.088 40.782 42.059 -0.316 0.000 0.891 586 L HN 0.363 nan 8.230 nan 0.000 0.431 587 Y N 0.299 120.535 120.300 -0.105 0.000 2.145 587 Y HA -0.297 4.246 4.550 -0.012 0.000 0.286 587 Y C 2.452 178.332 175.900 -0.033 0.000 1.145 587 Y CA 1.868 59.944 58.100 -0.040 0.000 1.148 587 Y CB -0.105 38.376 38.460 0.036 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.451 119.109 118.700 -0.070 0.000 2.166 588 N HA -0.149 4.584 4.740 -0.011 0.000 0.186 588 N C 1.829 177.230 175.510 -0.180 0.000 1.019 588 N CA 1.531 54.480 53.050 -0.169 0.000 0.856 588 N CB -0.373 38.075 38.487 -0.065 0.000 0.993 588 N HN 0.443 nan 8.380 nan 0.000 0.426 589 R N 0.387 120.807 120.500 -0.133 0.000 2.075 589 R HA 0.064 4.397 4.340 -0.011 0.000 0.232 589 R C 2.238 178.454 176.300 -0.140 0.000 1.126 589 R CA 0.768 56.797 56.100 -0.118 0.000 0.963 589 R CB -0.266 29.975 30.300 -0.098 0.000 0.858 589 R HN 0.237 nan 8.270 nan 0.000 0.435 590 I N 1.008 121.474 120.570 -0.173 0.000 2.179 590 I HA -0.283 3.880 4.170 -0.011 0.000 0.242 590 I C 2.119 178.116 176.117 -0.199 0.000 1.088 590 I CA 1.250 62.445 61.300 -0.175 0.000 1.357 590 I CB -0.194 37.704 38.000 -0.170 0.000 1.051 590 I HN 0.033 nan 8.210 nan 0.000 0.409 591 K N 0.818 121.035 120.400 -0.305 0.000 2.209 591 K HA -0.204 4.109 4.320 -0.011 0.000 0.204 591 K C 2.007 178.508 176.600 -0.166 0.000 1.048 591 K CA 1.157 57.280 56.287 -0.273 0.000 0.940 591 K CB -0.298 31.963 32.500 -0.398 0.000 0.729 591 K HN 0.350 nan 8.250 nan 0.000 0.451 592 K N 1.116 121.427 120.400 -0.148 0.000 2.116 592 K HA -0.066 4.247 4.320 -0.011 0.000 0.203 592 K C -0.042 176.511 176.600 -0.078 0.000 1.052 592 K CA 0.928 57.154 56.287 -0.101 0.000 0.952 592 K CB 0.402 32.847 32.500 -0.092 0.000 0.729 592 K HN 0.073 nan 8.250 nan 0.000 0.446 593 E N 0.330 120.482 120.200 -0.080 0.000 3.132 593 E HA 0.123 4.466 4.350 -0.011 0.000 0.241 593 E C -2.357 174.208 176.600 -0.059 0.000 1.196 593 E CA -1.568 54.798 56.400 -0.057 0.000 0.869 593 E CB 1.724 31.397 29.700 -0.045 0.000 1.387 593 E HN 0.111 nan 8.360 nan 0.000 0.393 594 P HA -0.127 nan 4.420 nan 0.000 0.220 594 P C 0.301 177.581 177.300 -0.032 0.000 1.148 594 P CA 1.191 64.258 63.100 -0.055 0.000 0.803 594 P CB 0.197 31.869 31.700 -0.046 0.000 0.782 595 N N -1.345 117.345 118.700 -0.017 0.000 2.270 595 N HA 0.022 4.756 4.740 -0.011 0.000 0.198 595 N C 0.544 176.068 175.510 0.024 0.000 1.117 595 N CA -0.153 52.900 53.050 0.004 0.000 0.845 595 N CB 0.149 38.639 38.487 0.005 0.000 0.980 595 N HN 0.076 nan 8.380 nan 0.000 0.486 596 K N 1.228 121.636 120.400 0.013 0.000 2.174 596 K HA 0.113 4.426 4.320 -0.011 0.000 0.275 596 K C -0.821 175.816 176.600 0.063 0.000 1.015 596 K CA -0.553 55.759 56.287 0.041 0.000 0.933 596 K CB 0.611 33.118 32.500 0.011 0.000 1.025 596 K HN -0.086 nan 8.250 nan 0.000 0.463 597 F N 4.957 124.894 119.950 -0.021 0.000 2.484 597 F HA 0.191 4.711 4.527 -0.011 0.000 0.360 597 F C -0.488 175.298 175.800 -0.023 0.000 1.101 597 F CA -0.096 57.893 58.000 -0.019 0.000 1.251 597 F CB 0.626 39.617 39.000 -0.014 0.000 1.132 597 F HN 0.196 nan 8.300 nan 0.000 0.570 598 V N 4.249 123.606 119.914 -0.928 0.000 2.789 598 V HA 0.532 4.645 4.120 -0.011 0.000 0.311 598 V C -0.683 174.769 176.094 -1.070 0.000 1.073 598 V CA -1.250 60.607 62.300 -0.739 0.000 0.921 598 V CB 0.978 32.584 31.823 -0.363 0.000 1.009 598 V HN 0.593 nan 8.190 nan 0.000 0.426 599 V N 4.715 124.283 119.914 -0.578 0.000 2.493 599 V HA 0.185 4.298 4.120 -0.011 0.000 0.292 599 V C -1.837 174.088 176.094 -0.283 0.000 1.016 599 V CA -0.420 61.692 62.300 -0.314 0.000 1.097 599 V CB 0.292 32.066 31.823 -0.081 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.345 nan 4.420 nan 0.000 0.271 600 P C -0.401 176.808 177.300 -0.151 0.000 1.216 600 P CA -0.108 62.899 63.100 -0.156 0.000 0.771 600 P CB 0.569 32.225 31.700 -0.072 0.000 0.864 601 R N 1.154 121.577 120.500 -0.129 0.000 2.686 601 R HA 0.566 4.900 4.340 -0.011 0.000 0.286 601 R C -0.699 175.558 176.300 -0.073 0.000 0.969 601 R CA -0.632 55.395 56.100 -0.123 0.000 0.898 601 R CB 1.949 32.163 30.300 -0.143 0.000 1.183 601 R HN 0.313 nan 8.270 nan 0.000 0.456 602 T N 2.088 116.611 114.554 -0.052 0.000 2.788 602 T HA 0.256 4.599 4.350 -0.011 0.000 0.296 602 T C -0.291 174.317 174.700 -0.153 0.000 1.009 602 T CA -0.493 61.531 62.100 -0.127 0.000 0.949 602 T CB 1.213 69.924 68.868 -0.261 0.000 0.946 602 T HN 0.137 nan 8.240 nan 0.000 0.453 603 V N 5.905 125.741 119.914 -0.131 0.000 2.364 603 V HA 0.453 4.566 4.120 -0.011 0.000 0.272 603 V C 0.014 176.031 176.094 -0.129 0.000 1.036 603 V CA -0.468 61.763 62.300 -0.115 0.000 0.880 603 V CB 0.764 32.535 31.823 -0.086 0.000 0.991 603 V HN 0.857 nan 8.190 nan 0.000 0.460 604 M N 6.666 126.180 119.600 -0.143 0.000 2.253 604 M HA 0.634 5.107 4.480 -0.011 0.000 0.314 604 M C -1.071 175.123 176.300 -0.176 0.000 1.019 604 M CA -0.217 54.989 55.300 -0.156 0.000 0.932 604 M CB 2.196 34.701 32.600 -0.158 0.000 1.606 604 M HN 0.409 nan 8.290 nan 0.000 0.430 605 I N 1.705 122.149 120.570 -0.211 0.000 2.498 605 I HA 0.847 5.010 4.170 -0.011 0.000 0.290 605 I C 0.035 175.813 176.117 -0.566 0.000 1.032 605 I CA -0.649 60.493 61.300 -0.263 0.000 1.073 605 I CB 2.349 40.285 38.000 -0.108 0.000 1.251 605 I HN 0.817 nan 8.210 nan 0.000 0.426 606 G N 2.871 111.309 108.800 -0.604 0.000 2.690 606 G HA2 0.846 4.800 3.960 -0.011 0.000 0.293 606 G HA3 0.846 4.800 3.960 -0.011 0.000 0.293 606 G C -1.007 173.601 174.900 -0.486 0.000 1.399 606 G CA -0.769 43.831 45.100 -0.834 0.000 0.890 606 G HN 1.003 nan 8.290 nan 0.000 0.485 607 G N -0.461 108.208 108.800 -0.217 0.000 2.337 607 G HA2 0.394 4.347 3.960 -0.011 0.000 0.310 607 G HA3 0.394 4.347 3.960 -0.011 0.000 0.310 607 G C -1.271 173.764 174.900 0.226 0.000 1.534 607 G CA -1.034 44.106 45.100 0.066 0.000 0.982 607 G HN 0.601 nan 8.290 nan 0.000 0.672 608 K N -0.084 120.445 120.400 0.216 0.000 2.118 608 K HA 0.739 5.052 4.320 -0.011 0.000 0.267 608 K C 0.299 177.043 176.600 0.239 0.000 0.991 608 K CA -0.143 56.288 56.287 0.240 0.000 0.916 608 K CB 1.970 34.510 32.500 0.067 0.000 1.041 608 K HN 0.872 nan 8.250 nan 0.000 0.455 609 A N 1.486 124.480 122.820 0.289 0.000 2.305 609 A HA 0.620 4.933 4.320 -0.011 0.000 0.322 609 A C -0.419 177.355 177.584 0.317 0.000 1.187 609 A CA -0.723 51.433 52.037 0.198 0.000 0.825 609 A CB 0.981 20.014 19.000 0.054 0.000 1.164 609 A HN 0.778 nan 8.150 nan 0.000 0.498 610 A N 3.697 126.689 122.820 0.287 0.000 2.511 610 A HA 0.464 4.777 4.320 -0.011 0.000 0.242 610 A C -1.371 176.298 177.584 0.142 0.000 1.069 610 A CA -0.799 51.401 52.037 0.271 0.000 0.763 610 A CB -0.362 18.774 19.000 0.226 0.000 1.001 610 A HN 0.604 nan 8.150 nan 0.000 0.498 611 P HA -0.156 nan 4.420 nan 0.000 0.217 611 P C 1.322 178.609 177.300 -0.020 0.000 1.148 611 P CA 2.026 65.065 63.100 -0.101 0.000 0.834 611 P CB 0.207 31.790 31.700 -0.194 0.000 0.783 612 G N -3.109 105.701 108.800 0.016 0.000 3.088 612 G HA2 -0.082 3.871 3.960 -0.011 0.000 0.217 612 G HA3 -0.082 3.871 3.960 -0.011 0.000 0.217 612 G C -0.186 174.743 174.900 0.048 0.000 1.159 612 G CA -0.122 44.988 45.100 0.016 0.000 0.760 612 G HN 0.312 nan 8.290 nan 0.000 0.550 613 Y N 1.420 121.661 120.300 -0.099 0.000 2.650 613 Y HA 0.243 4.786 4.550 -0.012 0.000 0.343 613 Y C 1.694 177.569 175.900 -0.041 0.000 1.078 613 Y CA -1.136 56.881 58.100 -0.137 0.000 1.356 613 Y CB 0.306 38.652 38.460 -0.190 0.000 1.204 613 Y HN 0.327 nan 8.280 nan 0.000 0.508 614 H N 3.605 122.784 119.070 0.181 0.000 2.289 614 H HA -0.268 4.281 4.556 -0.011 0.000 0.296 614 H C 1.962 177.313 175.328 0.037 0.000 1.091 614 H CA 2.839 58.939 56.048 0.087 0.000 1.274 614 H CB 0.213 30.018 29.762 0.073 0.000 1.364 614 H HN 0.717 nan 8.280 nan 0.000 0.490 615 M N 0.389 119.963 119.600 -0.044 0.000 2.108 615 M HA -0.059 4.414 4.480 -0.011 0.000 0.261 615 M C 2.398 178.455 176.300 -0.405 0.000 1.066 615 M CA 1.909 57.094 55.300 -0.191 0.000 1.107 615 M CB -0.826 31.796 32.600 0.036 0.000 1.356 615 M HN 0.408 nan 8.290 nan 0.000 0.406 616 A N -0.460 121.879 122.820 -0.802 0.000 1.933 616 A HA -0.201 4.112 4.320 -0.011 0.000 0.218 616 A C 2.201 179.578 177.584 -0.346 0.000 1.175 616 A CA 1.921 53.515 52.037 -0.737 0.000 0.628 616 A CB -0.658 17.671 19.000 -1.118 0.000 0.814 616 A HN 0.590 nan 8.150 nan 0.000 0.444 617 K N -1.148 119.103 120.400 -0.249 0.000 2.097 617 K HA -0.061 4.253 4.320 -0.011 0.000 0.205 617 K C 1.967 178.515 176.600 -0.087 0.000 1.050 617 K CA 1.318 57.550 56.287 -0.093 0.000 0.938 617 K CB -0.214 32.296 32.500 0.017 0.000 0.718 617 K HN 0.343 nan 8.250 nan 0.000 0.442 618 M N 0.490 119.988 119.600 -0.170 0.000 2.175 618 M HA -0.088 4.385 4.480 -0.011 0.000 0.264 618 M C 2.108 178.340 176.300 -0.114 0.000 1.063 618 M CA 1.414 56.652 55.300 -0.104 0.000 1.119 618 M CB -0.632 31.887 32.600 -0.135 0.000 1.377 618 M HN 0.129 nan 8.290 nan 0.000 0.415 619 I N -0.117 120.350 120.570 -0.171 0.000 2.226 619 I HA -0.304 3.859 4.170 -0.011 0.000 0.245 619 I C 2.285 178.279 176.117 -0.205 0.000 1.100 619 I CA 1.068 62.260 61.300 -0.180 0.000 1.374 619 I CB -0.323 37.572 38.000 -0.175 0.000 1.057 619 I HN 0.174 nan 8.210 nan 0.000 0.413 620 I N 0.626 121.058 120.570 -0.231 0.000 2.179 620 I HA -0.310 3.853 4.170 -0.011 0.000 0.242 620 I C 2.613 178.462 176.117 -0.447 0.000 1.088 620 I CA 1.287 62.359 61.300 -0.381 0.000 1.357 620 I CB -0.343 37.408 38.000 -0.415 0.000 1.051 620 I HN 0.159 nan 8.210 nan 0.000 0.409 621 K N 1.602 121.754 120.400 -0.413 0.000 2.057 621 K HA -0.163 4.150 4.320 -0.011 0.000 0.207 621 K C 2.068 178.513 176.600 -0.258 0.000 1.049 621 K CA 1.529 57.501 56.287 -0.525 0.000 0.931 621 K CB -0.633 31.296 32.500 -0.952 0.000 0.714 621 K HN 0.222 nan 8.250 nan 0.000 0.440 622 L N 0.412 121.507 121.223 -0.213 0.000 2.013 622 L HA -0.206 4.127 4.340 -0.011 0.000 0.212 622 L C 2.214 178.852 176.870 -0.385 0.000 1.073 622 L CA 1.824 56.364 54.840 -0.501 0.000 0.753 622 L CB -0.294 41.393 42.059 -0.619 0.000 0.890 622 L HN 0.291 nan 8.230 nan 0.000 0.432 623 I N -0.343 120.056 120.570 -0.285 0.000 2.179 623 I HA -0.319 3.844 4.170 -0.011 0.000 0.242 623 I C 2.637 178.658 176.117 -0.159 0.000 1.088 623 I CA 1.854 63.041 61.300 -0.189 0.000 1.357 623 I CB -0.543 37.429 38.000 -0.046 0.000 1.051 623 I HN 0.425 nan 8.210 nan 0.000 0.409 624 T N -0.778 113.655 114.554 -0.202 0.000 2.821 624 T HA -0.093 4.250 4.350 -0.011 0.000 0.267 624 T C 1.988 176.629 174.700 -0.099 0.000 1.046 624 T CA 0.975 62.986 62.100 -0.148 0.000 1.139 624 T CB -0.504 68.235 68.868 -0.215 0.000 0.871 624 T HN 0.333 nan 8.240 nan 0.000 0.454 625 A N 1.482 124.239 122.820 -0.104 0.000 1.933 625 A HA 0.141 4.455 4.320 -0.011 0.000 0.218 625 A C 2.378 179.984 177.584 0.037 0.000 1.175 625 A CA 1.280 53.322 52.037 0.009 0.000 0.628 625 A CB -0.811 18.285 19.000 0.159 0.000 0.814 625 A HN 0.598 nan 8.150 nan 0.000 0.444 626 I N -0.304 120.190 120.570 -0.128 0.000 2.179 626 I HA -0.197 3.966 4.170 -0.011 0.000 0.242 626 I C 2.732 178.812 176.117 -0.063 0.000 1.088 626 I CA 1.149 62.361 61.300 -0.147 0.000 1.357 626 I CB -0.671 37.117 38.000 -0.354 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.437 109.190 108.800 -0.078 0.000 2.440 627 G HA2 -0.272 3.681 3.960 -0.011 0.000 0.218 627 G HA3 -0.272 3.681 3.960 -0.011 0.000 0.218 627 G C 1.284 176.159 174.900 -0.042 0.000 1.154 627 G CA 1.039 46.097 45.100 -0.070 0.000 0.767 627 G HN 0.281 nan 8.290 nan 0.000 0.552 628 D N -0.009 120.407 120.400 0.028 0.000 2.149 628 D HA -0.093 4.540 4.640 -0.011 0.000 0.198 628 D C 2.711 179.103 176.300 0.154 0.000 0.990 628 D CA 0.794 54.872 54.000 0.130 0.000 0.839 628 D CB -0.204 40.645 40.800 0.082 0.000 0.948 628 D HN 0.248 nan 8.370 nan 0.000 0.460 629 V N 0.141 120.080 119.914 0.042 0.000 2.300 629 V HA -0.139 3.974 4.120 -0.011 0.000 0.241 629 V C 2.615 178.650 176.094 -0.098 0.000 1.034 629 V CA 0.774 63.044 62.300 -0.050 0.000 1.021 629 V CB -0.317 31.425 31.823 -0.135 0.000 0.662 629 V HN 0.021 nan 8.190 nan 0.000 0.458 630 V N 0.963 120.763 119.914 -0.189 0.000 2.343 630 V HA -0.209 3.905 4.120 -0.011 0.000 0.247 630 V C 2.146 178.182 176.094 -0.096 0.000 1.051 630 V CA 2.025 64.201 62.300 -0.206 0.000 1.036 630 V CB -0.860 30.839 31.823 -0.206 0.000 0.654 630 V HN 0.566 nan 8.190 nan 0.000 0.451 631 N N -0.438 118.146 118.700 -0.194 0.000 2.512 631 N HA -0.078 4.655 4.740 -0.011 0.000 0.183 631 N C 1.215 176.451 175.510 -0.457 0.000 1.073 631 N CA 0.905 53.751 53.050 -0.339 0.000 0.911 631 N CB -0.241 37.964 38.487 -0.471 0.000 0.964 631 N HN 0.695 nan 8.380 nan 0.000 0.447 632 H N -1.650 117.417 119.070 -0.005 0.000 2.784 632 H HA 0.197 4.746 4.556 -0.011 0.000 0.273 632 H C -0.502 174.835 175.328 0.015 0.000 1.112 632 H CA -0.492 55.553 56.048 -0.004 0.000 1.162 632 H CB 0.694 30.444 29.762 -0.021 0.000 1.586 632 H HN -0.033 nan 8.280 nan 0.000 0.548 633 D N 2.589 123.059 120.400 0.117 0.000 2.336 633 D HA 0.019 4.652 4.640 -0.011 0.000 0.249 633 D C -1.394 174.962 176.300 0.093 0.000 1.213 633 D CA -2.089 51.993 54.000 0.136 0.000 0.870 633 D CB 1.555 42.512 40.800 0.261 0.000 1.076 633 D HN 0.168 nan 8.370 nan 0.000 0.483 634 P HA -0.118 nan 4.420 nan 0.000 0.220 634 P C 1.546 178.866 177.300 0.033 0.000 1.148 634 P CA 0.330 63.456 63.100 0.043 0.000 0.803 634 P CB 0.530 32.250 31.700 0.034 0.000 0.782 635 V N 0.091 120.025 119.914 0.034 0.000 2.515 635 V HA -0.160 3.953 4.120 -0.011 0.000 0.250 635 V C 2.764 178.861 176.094 0.004 0.000 1.058 635 V CA 1.438 63.744 62.300 0.010 0.000 1.064 635 V CB -0.949 30.869 31.823 -0.008 0.000 0.675 635 V HN -0.040 nan 8.190 nan 0.000 0.461 636 V N -0.117 119.816 119.914 0.032 0.000 2.427 636 V HA 0.079 4.192 4.120 -0.011 0.000 0.248 636 V C 1.807 177.907 176.094 0.010 0.000 1.051 636 V CA 1.519 63.837 62.300 0.030 0.000 1.048 636 V CB -1.335 30.553 31.823 0.108 0.000 0.666 636 V HN 0.735 nan 8.190 nan 0.000 0.456 637 G N 1.632 110.442 108.800 0.017 0.000 2.550 637 G HA2 -0.364 3.589 3.960 -0.011 0.000 0.277 637 G HA3 -0.364 3.589 3.960 -0.011 0.000 0.277 637 G C 0.215 175.117 174.900 0.004 0.000 1.190 637 G CA 0.449 45.555 45.100 0.010 0.000 0.971 637 G HN 0.707 nan 8.290 nan 0.000 0.559 638 D N 0.204 120.607 120.400 0.004 0.000 2.491 638 D HA 0.233 4.866 4.640 -0.011 0.000 0.228 638 D C 1.716 178.008 176.300 -0.013 0.000 1.183 638 D CA -0.034 53.967 54.000 0.003 0.000 0.827 638 D CB -0.043 40.771 40.800 0.023 0.000 0.989 638 D HN 0.589 nan 8.370 nan 0.000 0.494 639 R N -0.684 119.797 120.500 -0.031 0.000 2.200 639 R HA 0.223 4.556 4.340 -0.011 0.000 0.208 639 R C -0.111 176.144 176.300 -0.076 0.000 1.033 639 R CA 0.234 56.291 56.100 -0.072 0.000 1.000 639 R CB 0.306 30.546 30.300 -0.100 0.000 0.906 639 R HN 0.127 nan 8.270 nan 0.000 0.462 640 L N 0.544 121.739 121.223 -0.046 0.000 2.543 640 L HA 0.373 4.706 4.340 -0.011 0.000 0.265 640 L C -1.602 175.242 176.870 -0.044 0.000 0.945 640 L CA -0.472 54.340 54.840 -0.048 0.000 0.869 640 L CB 1.766 43.808 42.059 -0.027 0.000 1.294 640 L HN -0.189 nan 8.230 nan 0.000 0.405 641 R N 3.796 124.258 120.500 -0.063 0.000 2.628 641 R HA 0.796 5.129 4.340 -0.011 0.000 0.288 641 R C -1.614 174.631 176.300 -0.091 0.000 0.980 641 R CA -0.823 55.230 56.100 -0.077 0.000 0.891 641 R CB 2.462 32.718 30.300 -0.073 0.000 1.188 641 R HN 0.416 nan 8.270 nan 0.000 0.450 642 V N 4.838 124.697 119.914 -0.093 0.000 2.407 642 V HA 0.462 4.575 4.120 -0.011 0.000 0.291 642 V C -0.164 175.889 176.094 -0.069 0.000 1.018 642 V CA -0.733 61.515 62.300 -0.086 0.000 0.842 642 V CB 1.804 33.574 31.823 -0.088 0.000 0.996 642 V HN 0.496 nan 8.190 nan 0.000 0.426 643 I N 4.760 125.290 120.570 -0.067 0.000 2.465 643 I HA 0.421 4.584 4.170 -0.011 0.000 0.291 643 I C -0.614 175.495 176.117 -0.015 0.000 1.014 643 I CA -0.630 60.642 61.300 -0.046 0.000 1.093 643 I CB 1.809 39.757 38.000 -0.087 0.000 1.267 643 I HN 0.561 nan 8.210 nan 0.000 0.431 644 F N 6.788 126.680 119.950 -0.097 0.000 2.391 644 F HA 0.434 4.954 4.527 -0.011 0.000 0.359 644 F C -0.212 175.530 175.800 -0.097 0.000 1.122 644 F CA -0.485 57.460 58.000 -0.092 0.000 1.120 644 F CB 0.765 39.715 39.000 -0.083 0.000 1.142 644 F HN 0.257 nan 8.300 nan 0.000 0.483 645 L N 6.352 127.201 121.223 -0.624 0.000 2.342 645 L HA 0.209 4.542 4.340 -0.011 0.000 0.285 645 L C 0.333 176.967 176.870 -0.393 0.000 1.095 645 L CA -0.182 54.415 54.840 -0.406 0.000 0.843 645 L CB 0.513 42.413 42.059 -0.265 0.000 1.201 645 L HN 0.641 nan 8.230 nan 0.000 0.445 646 E N 4.118 124.222 120.200 -0.160 0.000 2.373 646 E HA -0.054 4.289 4.350 -0.011 0.000 0.267 646 E C 0.377 177.047 176.600 0.117 0.000 1.032 646 E CA -0.346 56.106 56.400 0.086 0.000 0.889 646 E CB 0.463 30.221 29.700 0.096 0.000 0.984 646 E HN 0.566 nan 8.360 nan 0.000 0.425 647 N N 2.488 121.312 118.700 0.208 0.000 2.758 647 N HA -0.272 4.461 4.740 -0.011 0.000 0.248 647 N C -1.538 174.069 175.510 0.162 0.000 1.076 647 N CA 0.531 53.696 53.050 0.192 0.000 0.696 647 N CB -1.732 36.886 38.487 0.217 0.000 0.979 647 N HN 0.511 nan 8.380 nan 0.000 0.550 648 Y N 1.622 121.934 120.300 0.019 0.000 2.721 648 Y HA 0.159 4.702 4.550 -0.012 0.000 0.329 648 Y C 1.166 177.084 175.900 0.030 0.000 1.211 648 Y CA 0.818 58.916 58.100 -0.004 0.000 1.512 648 Y CB 0.302 38.730 38.460 -0.055 0.000 1.249 648 Y HN 0.376 nan 8.280 nan 0.000 0.549 649 R N 2.334 122.480 120.500 -0.589 0.000 2.756 649 R HA 0.400 4.733 4.340 -0.011 0.000 0.273 649 R C -0.586 175.381 176.300 -0.554 0.000 1.030 649 R CA -0.536 55.306 56.100 -0.430 0.000 0.887 649 R CB 0.224 30.456 30.300 -0.113 0.000 1.274 649 R HN 0.352 nan 8.270 nan 0.000 0.461 650 V N 0.901 120.532 119.914 -0.473 0.000 2.287 650 V HA -0.241 3.872 4.120 -0.011 0.000 0.248 650 V C 2.223 178.194 176.094 -0.205 0.000 1.053 650 V CA 2.670 64.755 62.300 -0.358 0.000 1.027 650 V CB -0.679 30.915 31.823 -0.382 0.000 0.646 650 V HN 0.818 nan 8.190 nan 0.000 0.447 651 S N -0.219 115.380 115.700 -0.168 0.000 2.383 651 S HA -0.167 4.296 4.470 -0.011 0.000 0.229 651 S C 1.825 176.375 174.600 -0.083 0.000 1.030 651 S CA 1.607 59.738 58.200 -0.115 0.000 1.002 651 S CB -0.366 62.796 63.200 -0.064 0.000 0.829 651 S HN 0.424 nan 8.310 nan 0.000 0.467 652 L N 1.658 122.839 121.223 -0.069 0.000 2.109 652 L HA 0.142 4.475 4.340 -0.011 0.000 0.207 652 L C 2.341 179.229 176.870 0.030 0.000 1.086 652 L CA 1.510 56.355 54.840 0.008 0.000 0.760 652 L CB -1.019 41.102 42.059 0.104 0.000 0.910 652 L HN 0.235 nan 8.230 nan 0.000 0.437 653 A N -0.656 122.157 122.820 -0.011 0.000 1.908 653 A HA -0.254 4.059 4.320 -0.011 0.000 0.218 653 A C 2.133 179.781 177.584 0.107 0.000 1.181 653 A CA 1.942 54.047 52.037 0.114 0.000 0.627 653 A CB -0.628 18.423 19.000 0.086 0.000 0.818 653 A HN 0.602 nan 8.150 nan 0.000 0.445 654 E N -0.425 119.815 120.200 0.067 0.000 2.268 654 E HA -0.157 4.186 4.350 -0.011 0.000 0.195 654 E C 1.907 178.472 176.600 -0.058 0.000 0.995 654 E CA 1.169 57.562 56.400 -0.012 0.000 0.836 654 E CB -0.057 29.545 29.700 -0.164 0.000 0.763 654 E HN 0.629 nan 8.360 nan 0.000 0.491 655 K N 0.117 120.469 120.400 -0.079 0.000 2.099 655 K HA 0.015 4.329 4.320 -0.011 0.000 0.203 655 K C 2.175 178.606 176.600 -0.281 0.000 1.047 655 K CA 0.527 56.756 56.287 -0.097 0.000 0.963 655 K CB 0.037 32.483 32.500 -0.090 0.000 0.759 655 K HN -0.031 nan 8.250 nan 0.000 0.451 656 V N 1.779 121.443 119.914 -0.416 0.000 2.535 656 V HA -0.100 4.014 4.120 -0.011 0.000 0.246 656 V C 1.887 177.735 176.094 -0.409 0.000 1.045 656 V CA 1.037 62.864 62.300 -0.789 0.000 1.058 656 V CB -0.139 31.322 31.823 -0.603 0.000 0.689 656 V HN 0.224 nan 8.190 nan 0.000 0.461 657 I N 0.947 121.331 120.570 -0.310 0.000 2.163 657 I HA -0.137 4.026 4.170 -0.011 0.000 0.243 657 I C -0.242 175.755 176.117 -0.200 0.000 1.085 657 I CA 1.744 62.792 61.300 -0.419 0.000 1.347 657 I CB -1.565 36.066 38.000 -0.614 0.000 1.044 657 I HN 0.368 nan 8.210 nan 0.000 0.408 658 P HA -0.109 nan 4.420 nan 0.000 0.225 658 P C 0.965 178.253 177.300 -0.019 0.000 1.148 658 P CA 1.218 64.290 63.100 -0.047 0.000 0.779 658 P CB 0.007 31.688 31.700 -0.031 0.000 0.780 659 A N -1.059 121.732 122.820 -0.049 0.000 2.238 659 A HA 0.450 4.764 4.320 -0.011 0.000 0.210 659 A C 1.226 178.891 177.584 0.136 0.000 1.179 659 A CA 0.181 52.236 52.037 0.031 0.000 0.827 659 A CB -0.672 18.343 19.000 0.025 0.000 0.856 659 A HN 0.209 nan 8.150 nan 0.000 0.488 660 A N -0.032 122.877 122.820 0.148 0.000 2.354 660 A HA 0.467 4.781 4.320 -0.011 0.000 0.269 660 A C 0.348 178.076 177.584 0.241 0.000 1.109 660 A CA -0.172 52.021 52.037 0.260 0.000 0.800 660 A CB 0.344 19.595 19.000 0.418 0.000 1.045 660 A HN 0.270 nan 8.150 nan 0.000 0.489 661 D N 0.200 120.745 120.400 0.242 0.000 2.323 661 D HA 0.110 4.743 4.640 -0.011 0.000 0.218 661 D C -0.265 176.254 176.300 0.364 0.000 0.973 661 D CA 0.902 55.098 54.000 0.327 0.000 0.890 661 D CB 0.277 41.188 40.800 0.185 0.000 1.011 661 D HN 0.336 nan 8.370 nan 0.000 0.499 662 L N 0.462 121.785 121.223 0.168 0.000 2.381 662 L HA 0.345 4.678 4.340 -0.011 0.000 0.274 662 L C -0.864 175.904 176.870 -0.170 0.000 0.988 662 L CA -0.548 54.320 54.840 0.046 0.000 0.824 662 L CB 2.183 44.252 42.059 0.017 0.000 1.263 662 L HN -0.294 nan 8.230 nan 0.000 0.410 663 S N 4.091 119.605 115.700 -0.311 0.000 2.429 663 S HA 0.475 4.938 4.470 -0.011 0.000 0.302 663 S C -0.647 173.703 174.600 -0.417 0.000 1.115 663 S CA -0.621 57.146 58.200 -0.722 0.000 1.095 663 S CB 0.412 63.125 63.200 -0.812 0.000 0.987 663 S HN 0.620 nan 8.310 nan 0.000 0.474 664 E N 4.050 124.009 120.200 -0.402 0.000 2.089 664 E HA 0.229 4.572 4.350 -0.011 0.000 0.284 664 E C -0.586 175.912 176.600 -0.170 0.000 1.023 664 E CA -0.457 55.832 56.400 -0.185 0.000 0.819 664 E CB 1.076 30.695 29.700 -0.135 0.000 1.076 664 E HN 0.598 nan 8.360 nan 0.000 0.396 665 Q N 2.852 122.609 119.800 -0.072 0.000 3.064 665 Q HA 0.274 4.607 4.340 -0.011 0.000 0.258 665 Q C 0.575 176.558 176.000 -0.028 0.000 0.972 665 Q CA -0.111 55.654 55.803 -0.063 0.000 0.761 665 Q CB 0.322 29.032 28.738 -0.047 0.000 1.281 665 Q HN 0.631 nan 8.270 nan 0.000 0.455 666 I N -1.825 118.714 120.570 -0.051 0.000 3.707 666 I HA 0.265 4.428 4.170 -0.011 0.000 0.330 666 I C 0.418 176.481 176.117 -0.090 0.000 1.572 666 I CA -0.682 60.599 61.300 -0.032 0.000 1.104 666 I CB 0.556 38.550 38.000 -0.011 0.000 1.240 666 I HN 0.016 nan 8.210 nan 0.000 0.475 667 S N 0.643 116.287 115.700 -0.093 0.000 2.563 667 S HA 0.126 4.589 4.470 -0.011 0.000 0.284 667 S C 0.591 175.168 174.600 -0.039 0.000 1.331 667 S CA -0.188 57.976 58.200 -0.061 0.000 1.047 667 S CB 0.135 63.344 63.200 0.016 0.000 0.859 667 S HN 0.388 nan 8.310 nan 0.000 0.514 668 T N 2.807 117.371 114.554 0.018 0.000 2.902 668 T HA 0.372 4.715 4.350 -0.011 0.000 0.301 668 T C 0.775 175.483 174.700 0.013 0.000 1.012 668 T CA 0.274 62.395 62.100 0.035 0.000 1.151 668 T CB -0.014 68.949 68.868 0.157 0.000 0.946 668 T HN 1.021 nan 8.240 nan 0.000 0.542 669 A N 2.711 125.509 122.820 -0.037 0.000 2.566 669 A HA 0.451 4.764 4.320 -0.011 0.000 0.245 669 A C 1.630 179.206 177.584 -0.013 0.000 1.056 669 A CA 0.281 52.292 52.037 -0.044 0.000 0.757 669 A CB -0.896 18.065 19.000 -0.065 0.000 0.979 669 A HN 1.745 nan 8.150 nan 0.000 0.508 670 G N 1.413 110.204 108.800 -0.016 0.000 2.157 670 G HA2 -0.226 3.727 3.960 -0.011 0.000 0.239 670 G HA3 -0.226 3.727 3.960 -0.011 0.000 0.239 670 G C 0.798 175.687 174.900 -0.019 0.000 0.982 670 G CA 1.133 46.227 45.100 -0.011 0.000 0.650 670 G HN 2.004 nan 8.290 nan 0.000 0.527 671 T N -2.710 111.830 114.554 -0.024 0.000 3.026 671 T HA 0.413 4.757 4.350 -0.011 0.000 0.245 671 T C 0.717 175.282 174.700 -0.225 0.000 1.004 671 T CA 1.017 63.044 62.100 -0.122 0.000 1.069 671 T CB 0.578 69.412 68.868 -0.057 0.000 1.005 671 T HN 0.279 nan 8.240 nan 0.000 0.472 672 E N 1.443 121.629 120.200 -0.023 0.000 2.089 672 E HA 0.669 5.012 4.350 -0.011 0.000 0.284 672 E C 1.130 177.681 176.600 -0.082 0.000 1.023 672 E CA 0.081 56.501 56.400 0.034 0.000 0.819 672 E CB 0.921 30.692 29.700 0.118 0.000 1.076 672 E HN 0.352 nan 8.360 nan 0.000 0.396 673 A N 3.417 126.116 122.820 -0.201 0.000 1.892 673 A HA -0.194 4.119 4.320 -0.011 0.000 0.218 673 A C 1.969 179.426 177.584 -0.211 0.000 1.188 673 A CA 2.194 53.981 52.037 -0.417 0.000 0.631 673 A CB -0.254 18.229 19.000 -0.861 0.000 0.822 673 A HN 0.600 nan 8.150 nan 0.000 0.447 674 S N -3.763 111.869 115.700 -0.113 0.000 3.792 674 S HA 0.458 4.921 4.470 -0.011 0.000 0.229 674 S C 0.695 175.277 174.600 -0.031 0.000 1.118 674 S CA 1.461 59.639 58.200 -0.037 0.000 0.877 674 S CB -0.064 63.139 63.200 0.005 0.000 1.077 674 S HN 2.245 nan 8.310 nan 0.000 0.546 675 G N 0.321 109.110 108.800 -0.020 0.000 2.721 675 G HA2 -0.045 3.908 3.960 -0.011 0.000 0.686 675 G HA3 -0.045 3.908 3.960 -0.011 0.000 0.686 675 G C 0.234 175.111 174.900 -0.038 0.000 1.236 675 G CA 0.453 45.539 45.100 -0.024 0.000 0.786 675 G HN 1.302 nan 8.290 nan 0.000 0.616 676 T N -1.864 112.656 114.554 -0.056 0.000 3.010 676 T HA 0.380 4.723 4.350 -0.011 0.000 0.253 676 T C 2.395 176.998 174.700 -0.162 0.000 0.939 676 T CA 1.285 63.324 62.100 -0.101 0.000 0.910 676 T CB 0.240 69.042 68.868 -0.110 0.000 1.226 676 T HN 1.914 nan 8.240 nan 0.000 0.508 677 G N 3.257 111.988 108.800 -0.115 0.000 2.440 677 G HA2 -0.306 3.647 3.960 -0.011 0.000 0.218 677 G HA3 -0.306 3.647 3.960 -0.011 0.000 0.218 677 G C 1.470 176.425 174.900 0.093 0.000 1.154 677 G CA 1.287 46.345 45.100 -0.070 0.000 0.767 677 G HN 0.840 nan 8.290 nan 0.000 0.552 678 N N -0.024 118.709 118.700 0.056 0.000 2.060 678 N HA -0.142 4.592 4.740 -0.011 0.000 0.195 678 N C 1.459 176.978 175.510 0.014 0.000 1.028 678 N CA 0.791 53.871 53.050 0.051 0.000 0.861 678 N CB -0.378 38.089 38.487 -0.034 0.000 1.029 678 N HN 0.349 nan 8.380 nan 0.000 0.428 682 M N 0.284 119.967 119.600 0.137 0.000 2.159 682 M HA -0.141 4.332 4.480 -0.011 0.000 0.263 682 M C 1.971 178.320 176.300 0.082 0.000 1.063 682 M CA 1.761 57.109 55.300 0.080 0.000 1.110 682 M CB -0.040 32.609 32.600 0.083 0.000 1.374 682 M HN 0.317 nan 8.290 nan 0.000 0.411 683 L N 0.787 122.059 121.223 0.082 0.000 2.201 683 L HA -0.092 4.241 4.340 -0.011 0.000 0.212 683 L C 1.342 178.254 176.870 0.070 0.000 1.105 683 L CA 1.655 56.549 54.840 0.090 0.000 0.775 683 L CB -0.605 41.517 42.059 0.105 0.000 0.913 683 L HN 0.354 nan 8.230 nan 0.000 0.440 684 N N -0.368 118.364 118.700 0.054 0.000 2.235 684 N HA 0.171 4.904 4.740 -0.011 0.000 0.209 684 N C 0.820 176.361 175.510 0.053 0.000 1.122 684 N CA 0.782 53.857 53.050 0.041 0.000 0.845 684 N CB 0.593 39.083 38.487 0.006 0.000 1.004 684 N HN 0.393 nan 8.380 nan 0.000 0.499 685 G N 0.653 109.488 108.800 0.058 0.000 2.142 685 G HA2 -0.202 3.751 3.960 -0.011 0.000 0.225 685 G HA3 -0.202 3.751 3.960 -0.011 0.000 0.225 685 G C -0.002 174.958 174.900 0.100 0.000 1.015 685 G CA 0.139 45.272 45.100 0.055 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.335 122.556 122.820 0.118 0.000 2.312 686 A HA 0.881 5.194 4.320 -0.011 0.000 0.328 686 A C 0.476 178.052 177.584 -0.014 0.000 1.158 686 A CA -0.594 51.530 52.037 0.144 0.000 0.821 686 A CB 0.945 20.096 19.000 0.251 0.000 1.170 686 A HN 0.737 nan 8.150 nan 0.000 0.490 687 L N 0.712 121.889 121.223 -0.076 0.000 2.421 687 L HA 0.454 4.787 4.340 -0.011 0.000 0.263 687 L C 0.234 176.992 176.870 -0.187 0.000 1.122 687 L CA -0.355 54.336 54.840 -0.248 0.000 0.804 687 L CB 1.405 43.244 42.059 -0.367 0.000 1.150 687 L HN 0.670 nan 8.230 nan 0.000 0.457 688 T N 2.447 116.805 114.554 -0.327 0.000 2.779 688 T HA 0.454 4.797 4.350 -0.011 0.000 0.280 688 T C -0.414 174.306 174.700 0.033 0.000 0.987 688 T CA -0.254 61.714 62.100 -0.220 0.000 0.966 688 T CB 1.397 70.072 68.868 -0.322 0.000 0.933 688 T HN 0.340 nan 8.240 nan 0.000 0.442 689 I N 3.114 123.734 120.570 0.082 0.000 2.321 689 I HA 0.705 4.868 4.170 -0.011 0.000 0.291 689 I C 0.159 176.459 176.117 0.305 0.000 0.998 689 I CA 0.144 61.586 61.300 0.236 0.000 1.227 689 I CB 0.328 38.391 38.000 0.104 0.000 1.368 689 I HN 0.777 nan 8.210 nan 0.000 0.466 690 G N 3.981 113.022 108.800 0.402 0.000 2.646 690 G HA2 0.445 4.398 3.960 -0.011 0.000 0.291 690 G HA3 0.445 4.398 3.960 -0.011 0.000 0.291 690 G C -0.895 173.907 174.900 -0.162 0.000 1.445 690 G CA -0.439 44.772 45.100 0.185 0.000 0.814 690 G HN 0.587 nan 8.290 nan 0.000 0.495 691 T N -1.210 113.119 114.554 -0.374 0.000 2.816 691 T HA 0.489 4.832 4.350 -0.011 0.000 0.282 691 T C 0.802 175.368 174.700 -0.223 0.000 0.993 691 T CA -0.669 61.144 62.100 -0.479 0.000 0.994 691 T CB 1.071 69.680 68.868 -0.431 0.000 1.025 691 T HN 0.262 nan 8.240 nan 0.000 0.529 692 M N 2.795 122.278 119.600 -0.194 0.000 3.442 692 M HA 0.303 4.776 4.480 -0.011 0.000 0.232 692 M C -0.426 175.813 176.300 -0.102 0.000 1.508 692 M CA -0.033 55.192 55.300 -0.125 0.000 1.647 692 M CB -1.808 30.729 32.600 -0.104 0.000 1.126 692 M HN 0.721 nan 8.290 nan 0.000 0.557 693 D N -0.123 120.221 120.400 -0.093 0.000 2.671 693 D HA 0.669 5.302 4.640 -0.011 0.000 0.232 693 D C 0.749 177.019 176.300 -0.051 0.000 1.114 693 D CA 0.699 54.660 54.000 -0.065 0.000 0.858 693 D CB 1.725 42.489 40.800 -0.061 0.000 1.544 693 D HN 0.590 nan 8.370 nan 0.000 0.471 694 G N 1.854 110.635 108.800 -0.032 0.000 2.627 694 G HA2 -0.270 3.684 3.960 -0.011 0.000 0.312 694 G HA3 -0.270 3.684 3.960 -0.011 0.000 0.312 694 G C 1.040 175.924 174.900 -0.025 0.000 1.299 694 G CA 1.141 46.227 45.100 -0.024 0.000 0.989 694 G HN 1.053 nan 8.290 nan 0.000 0.547 695 A N -0.284 122.515 122.820 -0.036 0.000 2.167 695 A HA 0.102 4.415 4.320 -0.011 0.000 0.214 695 A C 2.106 179.616 177.584 -0.123 0.000 1.151 695 A CA 1.804 53.811 52.037 -0.050 0.000 0.735 695 A CB -0.453 18.505 19.000 -0.071 0.000 0.802 695 A HN 0.627 nan 8.150 nan 0.000 0.467 696 N N 0.610 119.244 118.700 -0.110 0.000 2.137 696 N HA -0.162 4.571 4.740 -0.011 0.000 0.190 696 N C 1.587 176.975 175.510 -0.204 0.000 1.017 696 N CA 1.634 54.608 53.050 -0.127 0.000 0.859 696 N CB -0.682 37.766 38.487 -0.065 0.000 1.002 696 N HN 0.291 nan 8.380 nan 0.000 0.428 697 V N 1.244 121.077 119.914 -0.136 0.000 2.287 697 V HA -0.224 3.889 4.120 -0.011 0.000 0.248 697 V C 1.995 178.016 176.094 -0.122 0.000 1.053 697 V CA 1.739 63.962 62.300 -0.129 0.000 1.027 697 V CB -0.496 31.283 31.823 -0.073 0.000 0.646 697 V HN 0.363 nan 8.190 nan 0.000 0.447 698 E N -0.674 119.501 120.200 -0.041 0.000 2.158 698 E HA -0.116 4.227 4.350 -0.011 0.000 0.191 698 E C 2.216 178.907 176.600 0.153 0.000 0.982 698 E CA 0.981 57.432 56.400 0.084 0.000 0.823 698 E CB -0.173 29.664 29.700 0.229 0.000 0.766 698 E HN 0.545 nan 8.360 nan 0.000 0.468 699 M N 0.513 120.085 119.600 -0.047 0.000 2.086 699 M HA -0.145 4.328 4.480 -0.011 0.000 0.261 699 M C 2.496 178.480 176.300 -0.527 0.000 1.067 699 M CA 1.575 56.770 55.300 -0.175 0.000 1.116 699 M CB -0.201 32.205 32.600 -0.324 0.000 1.348 699 M HN 0.133 nan 8.290 nan 0.000 0.407 700 A N -0.112 122.133 122.820 -0.957 0.000 1.933 700 A HA -0.220 4.093 4.320 -0.011 0.000 0.218 700 A C 1.997 179.359 177.584 -0.371 0.000 1.175 700 A CA 1.979 53.411 52.037 -1.008 0.000 0.628 700 A CB -0.804 17.743 19.000 -0.754 0.000 0.814 700 A HN 0.589 nan 8.150 nan 0.000 0.444 701 E N -0.401 119.666 120.200 -0.221 0.000 2.077 701 E HA -0.214 4.129 4.350 -0.011 0.000 0.193 701 E C 1.818 178.388 176.600 -0.050 0.000 0.989 701 E CA 1.251 57.591 56.400 -0.101 0.000 0.800 701 E CB -0.081 29.582 29.700 -0.063 0.000 0.746 701 E HN 0.548 nan 8.360 nan 0.000 0.452 702 E N 0.147 120.344 120.200 -0.006 0.000 2.047 702 E HA -0.150 4.193 4.350 -0.011 0.000 0.191 702 E C 1.885 178.516 176.600 0.051 0.000 0.987 702 E CA 1.201 57.625 56.400 0.039 0.000 0.799 702 E CB -0.222 29.552 29.700 0.123 0.000 0.752 702 E HN 0.372 nan 8.360 nan 0.000 0.449 703 A N 0.327 123.190 122.820 0.071 0.000 2.072 703 A HA 0.319 4.633 4.320 -0.011 0.000 0.216 703 A C 1.068 178.694 177.584 0.070 0.000 1.156 703 A CA 1.138 53.251 52.037 0.125 0.000 0.701 703 A CB -0.020 19.169 19.000 0.315 0.000 0.816 703 A HN 0.266 nan 8.150 nan 0.000 0.458 704 G N -0.576 108.231 108.800 0.012 0.000 3.055 704 G HA2 -0.090 3.863 3.960 -0.011 0.000 0.686 704 G HA3 -0.090 3.863 3.960 -0.011 0.000 0.686 704 G C -0.027 174.872 174.900 -0.002 0.000 1.087 704 G CA 0.007 45.104 45.100 -0.006 0.000 0.779 704 G HN 0.248 nan 8.290 nan 0.000 0.599 705 E N 0.992 121.170 120.200 -0.037 0.000 2.209 705 E HA -0.178 4.165 4.350 -0.011 0.000 0.196 705 E C 2.052 178.641 176.600 -0.018 0.000 0.993 705 E CA 1.760 58.142 56.400 -0.031 0.000 0.819 705 E CB 0.071 29.746 29.700 -0.042 0.000 0.745 705 E HN 0.775 nan 8.360 nan 0.000 0.477 706 E N 0.763 120.941 120.200 -0.036 0.000 2.265 706 E HA -0.117 4.227 4.350 -0.011 0.000 0.196 706 E C 1.076 177.588 176.600 -0.146 0.000 0.996 706 E CA 0.718 57.072 56.400 -0.076 0.000 0.832 706 E CB -0.058 29.609 29.700 -0.054 0.000 0.756 706 E HN 0.168 nan 8.360 nan 0.000 0.491 707 N N -0.452 118.200 118.700 -0.079 0.000 2.235 707 N HA 0.133 4.866 4.740 -0.011 0.000 0.209 707 N C -0.836 174.571 175.510 -0.170 0.000 1.122 707 N CA 0.142 53.112 53.050 -0.132 0.000 0.845 707 N CB 0.377 38.850 38.487 -0.023 0.000 1.004 707 N HN 0.051 nan 8.380 nan 0.000 0.499 708 F N -0.488 119.245 119.950 -0.362 0.000 2.577 708 F HA 0.428 4.947 4.527 -0.012 0.000 0.318 708 F C -0.478 175.063 175.800 -0.431 0.000 1.065 708 F CA -1.094 56.720 58.000 -0.310 0.000 0.929 708 F CB 1.236 40.158 39.000 -0.131 0.000 1.237 708 F HN -0.228 nan 8.300 nan 0.000 0.468 709 F N 3.962 123.974 119.950 0.104 0.000 2.300 709 F HA 0.449 4.969 4.527 -0.011 0.000 0.364 709 F C -0.144 175.794 175.800 0.230 0.000 1.090 709 F CA -0.430 57.639 58.000 0.116 0.000 1.200 709 F CB 0.095 39.118 39.000 0.038 0.000 1.493 709 F HN 0.049 nan 8.300 nan 0.000 0.518 710 I N 4.135 124.895 120.570 0.315 0.000 2.385 710 I HA 0.423 4.587 4.170 -0.011 0.000 0.294 710 I C -0.338 175.955 176.117 0.293 0.000 0.988 710 I CA -0.730 60.713 61.300 0.237 0.000 1.265 710 I CB 1.005 39.065 38.000 0.100 0.000 1.388 710 I HN 0.348 nan 8.210 nan 0.000 0.480 711 F N 3.584 123.593 119.950 0.098 0.000 2.685 711 F HA 0.937 5.457 4.527 -0.012 0.000 0.315 711 F C 0.016 175.851 175.800 0.059 0.000 1.126 711 F CA -0.647 57.404 58.000 0.084 0.000 0.950 711 F CB 1.025 40.092 39.000 0.110 0.000 1.360 711 F HN 0.756 nan 8.300 nan 0.000 0.469 712 G N 0.977 109.848 108.800 0.118 0.000 2.728 712 G HA2 -0.078 3.875 3.960 -0.011 0.000 0.294 712 G HA3 -0.078 3.875 3.960 -0.011 0.000 0.294 712 G C -0.905 173.970 174.900 -0.043 0.000 1.342 712 G CA -0.643 44.466 45.100 0.016 0.000 0.866 712 G HN 0.956 nan 8.290 nan 0.000 0.534 713 M N 0.924 120.509 119.600 -0.026 0.000 2.248 713 M HA 0.197 4.670 4.480 -0.011 0.000 0.345 713 M C 1.220 177.485 176.300 -0.060 0.000 1.243 713 M CA 0.033 55.322 55.300 -0.018 0.000 1.090 713 M CB 0.282 32.881 32.600 -0.003 0.000 1.683 713 M HN 0.527 nan 8.290 nan 0.000 0.450 714 R N 1.884 122.362 120.500 -0.037 0.000 2.541 714 R HA 0.245 4.578 4.340 -0.011 0.000 0.263 714 R C 1.229 177.510 176.300 -0.032 0.000 1.112 714 R CA -0.581 55.492 56.100 -0.044 0.000 1.170 714 R CB -0.142 30.139 30.300 -0.032 0.000 1.167 714 R HN 0.571 nan 8.270 nan 0.000 0.582 715 V N 1.445 121.339 119.914 -0.034 0.000 2.324 715 V HA -0.274 3.839 4.120 -0.011 0.000 0.250 715 V C 1.892 177.976 176.094 -0.017 0.000 1.060 715 V CA 2.079 64.363 62.300 -0.026 0.000 1.042 715 V CB -0.483 31.323 31.823 -0.028 0.000 0.650 715 V HN 0.626 nan 8.190 nan 0.000 0.450 716 E N 0.129 120.320 120.200 -0.014 0.000 2.110 716 E HA -0.190 4.153 4.350 -0.011 0.000 0.193 716 E C 1.957 178.560 176.600 0.005 0.000 0.988 716 E CA 1.408 57.805 56.400 -0.005 0.000 0.804 716 E CB -0.349 29.348 29.700 -0.005 0.000 0.745 716 E HN 0.630 nan 8.360 nan 0.000 0.458 717 D N -0.168 120.237 120.400 0.008 0.000 2.144 717 D HA -0.096 4.537 4.640 -0.011 0.000 0.200 717 D C 1.985 178.300 176.300 0.026 0.000 0.978 717 D CA 0.813 54.828 54.000 0.025 0.000 0.833 717 D CB -0.087 40.731 40.800 0.030 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.921 121.838 119.914 0.006 0.000 2.343 718 V HA -0.211 3.903 4.120 -0.011 0.000 0.247 718 V C 1.973 178.068 176.094 0.002 0.000 1.051 718 V CA 1.669 63.966 62.300 -0.005 0.000 1.036 718 V CB -0.396 31.415 31.823 -0.020 0.000 0.654 718 V HN 0.037 nan 8.190 nan 0.000 0.451 719 D N -0.116 120.286 120.400 0.002 0.000 2.117 719 D HA -0.157 4.476 4.640 -0.011 0.000 0.197 719 D C 2.412 178.723 176.300 0.019 0.000 0.987 719 D CA 1.255 55.258 54.000 0.005 0.000 0.829 719 D CB -0.246 40.553 40.800 -0.001 0.000 0.961 719 D HN 0.354 nan 8.370 nan 0.000 0.460 720 R N 0.123 120.639 120.500 0.027 0.000 2.081 720 R HA -0.026 4.307 4.340 -0.011 0.000 0.235 720 R C 2.515 178.850 176.300 0.058 0.000 1.131 720 R CA 0.540 56.663 56.100 0.039 0.000 0.960 720 R CB -0.377 29.948 30.300 0.042 0.000 0.856 720 R HN 0.188 nan 8.270 nan 0.000 0.436 721 L N 0.632 121.899 121.223 0.073 0.000 2.083 721 L HA -0.211 4.122 4.340 -0.011 0.000 0.209 721 L C 1.440 178.375 176.870 0.108 0.000 1.083 721 L CA 1.343 56.254 54.840 0.117 0.000 0.752 721 L CB -0.272 41.873 42.059 0.144 0.000 0.899 721 L HN 0.248 nan 8.230 nan 0.000 0.433 722 D N -0.568 119.870 120.400 0.063 0.000 2.144 722 D HA -0.204 4.429 4.640 -0.011 0.000 0.199 722 D C 2.203 178.533 176.300 0.050 0.000 0.984 722 D CA 1.066 55.096 54.000 0.050 0.000 0.834 722 D CB 0.018 40.828 40.800 0.016 0.000 0.955 722 D HN 0.429 nan 8.370 nan 0.000 0.465 723 Q N -0.093 119.733 119.800 0.043 0.000 2.079 723 Q HA -0.119 4.214 4.340 -0.011 0.000 0.200 723 Q C 2.151 178.176 176.000 0.041 0.000 0.974 723 Q CA 1.100 56.925 55.803 0.036 0.000 0.840 723 Q CB 0.051 28.806 28.738 0.029 0.000 0.898 723 Q HN 0.329 nan 8.270 nan 0.000 0.430 724 R N -0.634 119.898 120.500 0.053 0.000 2.246 724 R HA 0.214 4.547 4.340 -0.011 0.000 0.199 724 R C 0.191 176.528 176.300 0.061 0.000 0.984 724 R CA 0.716 56.847 56.100 0.052 0.000 1.015 724 R CB 0.370 30.701 30.300 0.052 0.000 0.930 724 R HN 0.065 nan 8.270 nan 0.000 0.475 725 G N 0.807 109.658 108.800 0.084 0.000 3.225 725 G HA2 -0.247 3.706 3.960 -0.011 0.000 0.686 725 G HA3 -0.247 3.706 3.960 -0.011 0.000 0.686 725 G C -1.486 173.507 174.900 0.155 0.000 1.105 725 G CA -0.414 44.746 45.100 0.100 0.000 0.831 725 G HN 0.302 nan 8.290 nan 0.000 0.578 726 Y N 2.979 123.308 120.300 0.049 0.000 2.393 726 Y HA 0.605 5.149 4.550 -0.011 0.000 0.338 726 Y C 0.226 176.174 175.900 0.080 0.000 1.029 726 Y CA -1.148 56.999 58.100 0.080 0.000 1.239 726 Y CB 1.233 39.725 38.460 0.053 0.000 1.170 726 Y HN 0.645 nan 8.280 nan 0.000 0.515 727 N N 4.749 123.237 118.700 -0.353 0.000 2.564 727 N HA 0.366 5.100 4.740 -0.011 0.000 0.248 727 N C 0.173 175.422 175.510 -0.434 0.000 0.986 727 N CA 0.217 53.056 53.050 -0.350 0.000 0.921 727 N CB 1.260 39.664 38.487 -0.138 0.000 1.136 727 N HN 0.765 nan 8.380 nan 0.000 0.509 728 A N 2.812 125.282 122.820 -0.582 0.000 1.969 728 A HA -0.171 4.142 4.320 -0.011 0.000 0.218 728 A C 1.849 179.538 177.584 0.176 0.000 1.169 728 A CA 1.377 53.289 52.037 -0.208 0.000 0.635 728 A CB -0.429 18.368 19.000 -0.338 0.000 0.810 728 A HN 0.706 nan 8.150 nan 0.000 0.445 729 Q N 0.373 120.172 119.800 -0.002 0.000 2.135 729 Q HA -0.231 4.102 4.340 -0.011 0.000 0.204 729 Q C 1.867 177.929 176.000 0.103 0.000 0.981 729 Q CA 2.244 58.072 55.803 0.041 0.000 0.856 729 Q CB -0.365 28.350 28.738 -0.038 0.000 0.902 729 Q HN 0.784 nan 8.270 nan 0.000 0.425 730 E N -1.329 118.871 120.200 0.001 0.000 2.058 730 E HA -0.252 4.091 4.350 -0.011 0.000 0.194 730 E C 1.543 178.076 176.600 -0.112 0.000 0.997 730 E CA 1.539 57.871 56.400 -0.113 0.000 0.801 730 E CB -0.270 29.259 29.700 -0.284 0.000 0.746 730 E HN 0.604 nan 8.360 nan 0.000 0.450 731 Y N -0.984 119.384 120.300 0.113 0.000 2.163 731 Y HA -0.213 4.330 4.550 -0.011 0.000 0.288 731 Y C 2.295 178.204 175.900 0.015 0.000 1.136 731 Y CA 1.570 59.728 58.100 0.098 0.000 1.147 731 Y CB -0.768 37.803 38.460 0.186 0.000 0.987 731 Y HN 0.229 nan 8.280 nan 0.000 0.509 732 Y N 1.387 121.726 120.300 0.065 0.000 2.151 732 Y HA -0.296 4.247 4.550 -0.011 0.000 0.284 732 Y C 1.837 177.711 175.900 -0.044 0.000 1.166 732 Y CA 1.911 59.974 58.100 -0.062 0.000 1.163 732 Y CB -0.431 38.043 38.460 0.024 0.000 0.974 732 Y HN 0.093 nan 8.280 nan 0.000 0.511 733 D N -0.427 120.074 120.400 0.168 0.000 2.178 733 D HA -0.101 4.533 4.640 -0.011 0.000 0.202 733 D C 1.876 178.158 176.300 -0.030 0.000 0.974 733 D CA 1.246 55.286 54.000 0.066 0.000 0.841 733 D CB -0.081 40.769 40.800 0.083 0.000 0.953 733 D HN 0.479 nan 8.370 nan 0.000 0.478 734 R N -0.332 120.150 120.500 -0.030 0.000 2.308 734 R HA 0.284 4.617 4.340 -0.011 0.000 0.202 734 R C 0.358 176.642 176.300 -0.026 0.000 0.898 734 R CA 0.065 56.147 56.100 -0.031 0.000 1.046 734 R CB 1.201 31.481 30.300 -0.033 0.000 1.026 734 R HN 0.146 nan 8.270 nan 0.000 0.512 735 I N 2.479 123.018 120.570 -0.052 0.000 2.405 735 I HA 0.221 4.384 4.170 -0.011 0.000 0.280 735 I C -1.921 174.113 176.117 -0.138 0.000 1.027 735 I CA -2.327 58.946 61.300 -0.046 0.000 1.161 735 I CB 2.062 40.072 38.000 0.017 0.000 1.300 735 I HN -0.284 nan 8.210 nan 0.000 0.463 736 P HA -0.149 nan 4.420 nan 0.000 0.216 736 P C 1.189 178.401 177.300 -0.146 0.000 1.150 736 P CA 1.319 64.335 63.100 -0.140 0.000 0.837 736 P CB 0.324 31.972 31.700 -0.086 0.000 0.786 737 E N -1.008 119.143 120.200 -0.082 0.000 2.150 737 E HA -0.152 4.191 4.350 -0.011 0.000 0.193 737 E C 1.840 178.352 176.600 -0.146 0.000 0.985 737 E CA 0.613 56.980 56.400 -0.055 0.000 0.814 737 E CB -0.545 29.190 29.700 0.057 0.000 0.752 737 E HN 0.112 nan 8.360 nan 0.000 0.466 738 L N 1.116 122.171 121.223 -0.281 0.000 2.072 738 L HA -0.117 4.216 4.340 -0.011 0.000 0.205 738 L C 2.338 178.947 176.870 -0.436 0.000 1.079 738 L CA 1.605 56.113 54.840 -0.553 0.000 0.752 738 L CB -0.288 41.294 42.059 -0.795 0.000 0.906 738 L HN -0.106 nan 8.230 nan 0.000 0.436 739 R N -0.784 119.434 120.500 -0.471 0.000 2.096 739 R HA -0.257 4.076 4.340 -0.011 0.000 0.240 739 R C 2.439 178.564 176.300 -0.291 0.000 1.139 739 R CA 2.098 57.826 56.100 -0.619 0.000 0.952 739 R CB -0.391 29.482 30.300 -0.711 0.000 0.854 739 R HN 0.605 nan 8.270 nan 0.000 0.436 740 Q N 0.277 119.949 119.800 -0.212 0.000 2.096 740 Q HA -0.203 4.130 4.340 -0.011 0.000 0.204 740 Q C 2.017 177.966 176.000 -0.084 0.000 0.982 740 Q CA 2.103 57.827 55.803 -0.131 0.000 0.850 740 Q CB -0.113 28.551 28.738 -0.123 0.000 0.901 740 Q HN 0.488 nan 8.270 nan 0.000 0.422 741 I N 0.477 120.996 120.570 -0.085 0.000 2.252 741 I HA -0.270 3.893 4.170 -0.011 0.000 0.245 741 I C 2.081 178.226 176.117 0.047 0.000 1.102 741 I CA 0.568 61.859 61.300 -0.016 0.000 1.385 741 I CB -0.275 37.691 38.000 -0.058 0.000 1.064 741 I HN 0.291 nan 8.210 nan 0.000 0.414 742 I N 0.847 121.446 120.570 0.048 0.000 2.286 742 I HA -0.234 3.930 4.170 -0.011 0.000 0.248 742 I C 2.420 178.644 176.117 0.178 0.000 1.115 742 I CA 1.645 63.043 61.300 0.164 0.000 1.392 742 I CB -1.284 36.906 38.000 0.315 0.000 1.065 742 I HN 0.343 nan 8.210 nan 0.000 0.418 743 E N 0.418 120.700 120.200 0.138 0.000 2.072 743 E HA -0.232 4.112 4.350 -0.011 0.000 0.191 743 E C 2.197 178.863 176.600 0.110 0.000 0.985 743 E CA 0.954 57.425 56.400 0.118 0.000 0.801 743 E CB -0.112 29.626 29.700 0.064 0.000 0.750 743 E HN 0.555 nan 8.360 nan 0.000 0.452 744 Q N 0.444 120.292 119.800 0.080 0.000 2.061 744 Q HA -0.158 4.175 4.340 -0.011 0.000 0.204 744 Q C 2.346 178.532 176.000 0.311 0.000 0.984 744 Q CA 1.105 56.974 55.803 0.111 0.000 0.846 744 Q CB -0.071 28.669 28.738 0.003 0.000 0.902 744 Q HN 0.304 nan 8.270 nan 0.000 0.421 745 L N -0.166 121.246 121.223 0.315 0.000 2.017 745 L HA -0.195 4.139 4.340 -0.011 0.000 0.208 745 L C 2.462 179.517 176.870 0.309 0.000 1.073 745 L CA 1.006 56.048 54.840 0.337 0.000 0.745 745 L CB -0.380 41.794 42.059 0.191 0.000 0.894 745 L HN 0.151 nan 8.230 nan 0.000 0.432 746 S N -0.323 115.514 115.700 0.229 0.000 2.383 746 S HA -0.153 4.310 4.470 -0.011 0.000 0.227 746 S C 2.119 176.823 174.600 0.174 0.000 1.026 746 S CA 1.543 59.857 58.200 0.190 0.000 0.981 746 S CB -0.186 63.106 63.200 0.154 0.000 0.818 746 S HN 0.611 nan 8.310 nan 0.000 0.472 747 S N 0.249 116.053 115.700 0.174 0.000 2.496 747 S HA 0.308 4.771 4.470 -0.011 0.000 0.224 747 S C 1.459 176.152 174.600 0.154 0.000 0.996 747 S CA 0.811 59.098 58.200 0.145 0.000 0.927 747 S CB 0.023 63.301 63.200 0.129 0.000 0.774 747 S HN 0.800 nan 8.310 nan 0.000 0.524 748 G N 0.374 109.299 108.800 0.208 0.000 2.143 748 G HA2 -0.245 3.709 3.960 -0.011 0.000 0.175 748 G HA3 -0.245 3.709 3.960 -0.011 0.000 0.175 748 G C 0.203 175.201 174.900 0.164 0.000 1.004 748 G CA 0.057 45.268 45.100 0.185 0.000 0.671 748 G HN 0.472 nan 8.290 nan 0.000 0.512 749 F N 0.478 120.438 119.950 0.017 0.000 2.161 749 F HA 0.150 4.670 4.527 -0.012 0.000 0.300 749 F C 1.859 177.463 175.800 -0.327 0.000 1.089 749 F CA 2.051 59.933 58.000 -0.196 0.000 1.282 749 F CB -0.040 38.761 39.000 -0.332 0.000 1.010 749 F HN 0.173 nan 8.300 nan 0.000 0.485 750 F N -0.400 119.677 119.950 0.212 0.000 2.727 750 F HA 0.195 4.716 4.527 -0.011 0.000 0.302 750 F C 0.644 176.547 175.800 0.172 0.000 1.097 750 F CA 0.245 58.324 58.000 0.132 0.000 1.330 750 F CB -0.092 39.001 39.000 0.154 0.000 1.084 750 F HN -0.043 nan 8.300 nan 0.000 0.578 751 S N -1.891 113.952 115.700 0.240 0.000 2.564 751 S HA 0.310 4.773 4.470 -0.011 0.000 0.141 751 S C -2.452 172.167 174.600 0.032 0.000 1.474 751 S CA -1.012 57.257 58.200 0.115 0.000 1.236 751 S CB 0.845 64.070 63.200 0.042 0.000 1.481 751 S HN -0.182 nan 8.310 nan 0.000 0.397 752 P HA -0.097 nan 4.420 nan 0.000 0.215 752 P C 1.173 178.464 177.300 -0.016 0.000 1.153 752 P CA 1.301 64.380 63.100 -0.035 0.000 0.853 752 P CB 0.108 31.763 31.700 -0.075 0.000 0.788 753 K N -0.986 119.406 120.400 -0.014 0.000 2.228 753 K HA -0.024 4.290 4.320 -0.011 0.000 0.202 753 K C 0.681 177.279 176.600 -0.004 0.000 1.051 753 K CA 0.868 57.150 56.287 -0.008 0.000 0.960 753 K CB -0.022 32.474 32.500 -0.006 0.000 0.743 753 K HN 0.335 nan 8.250 nan 0.000 0.458 754 Q N 0.460 120.255 119.800 -0.008 0.000 2.907 754 Q HA 0.156 4.489 4.340 -0.011 0.000 0.262 754 Q C -2.249 173.741 176.000 -0.016 0.000 0.997 754 Q CA -1.683 54.110 55.803 -0.016 0.000 0.797 754 Q CB 1.336 30.057 28.738 -0.028 0.000 1.228 754 Q HN -0.046 nan 8.270 nan 0.000 0.466 755 P HA -0.226 nan 4.420 nan 0.000 0.217 755 P C 0.487 177.820 177.300 0.055 0.000 1.148 755 P CA 1.517 64.644 63.100 0.044 0.000 0.828 755 P CB 0.238 31.965 31.700 0.046 0.000 0.783 756 D N -1.028 119.388 120.400 0.028 0.000 2.358 756 D HA -0.013 4.620 4.640 -0.011 0.000 0.224 756 D C 1.635 177.932 176.300 -0.005 0.000 1.123 756 D CA -0.368 53.655 54.000 0.039 0.000 0.833 756 D CB -0.616 40.209 40.800 0.041 0.000 0.946 756 D HN -0.007 nan 8.370 nan 0.000 0.505 757 L N -0.133 121.020 121.223 -0.116 0.000 2.081 757 L HA -0.038 4.295 4.340 -0.011 0.000 0.212 757 L C 1.207 177.865 176.870 -0.354 0.000 1.080 757 L CA 1.673 56.322 54.840 -0.320 0.000 0.754 757 L CB -0.604 41.073 42.059 -0.637 0.000 0.893 757 L HN 0.005 nan 8.230 nan 0.000 0.433 758 F N -0.728 119.278 119.950 0.093 0.000 2.639 758 F HA 0.125 4.645 4.527 -0.011 0.000 0.300 758 F C 1.862 177.715 175.800 0.089 0.000 1.109 758 F CA -0.176 57.868 58.000 0.075 0.000 1.335 758 F CB -0.268 38.765 39.000 0.055 0.000 1.014 758 F HN 0.095 nan 8.300 nan 0.000 0.537 759 K N -0.297 120.224 120.400 0.201 0.000 2.103 759 K HA -0.188 4.125 4.320 -0.011 0.000 0.207 759 K C 0.956 177.660 176.600 0.174 0.000 1.048 759 K CA 1.958 58.347 56.287 0.169 0.000 0.930 759 K CB -0.262 32.312 32.500 0.123 0.000 0.716 759 K HN 0.073 nan 8.250 nan 0.000 0.444 760 D N 1.337 121.849 120.400 0.187 0.000 2.117 760 D HA -0.092 4.541 4.640 -0.011 0.000 0.197 760 D C 2.041 178.450 176.300 0.182 0.000 0.987 760 D CA 1.163 55.280 54.000 0.195 0.000 0.829 760 D CB -0.129 40.821 40.800 0.250 0.000 0.961 760 D HN 0.307 nan 8.370 nan 0.000 0.460 761 I N 0.412 121.092 120.570 0.183 0.000 2.202 761 I HA -0.219 3.944 4.170 -0.011 0.000 0.242 761 I C 2.436 178.621 176.117 0.113 0.000 1.091 761 I CA 0.594 61.973 61.300 0.132 0.000 1.368 761 I CB -0.246 37.822 38.000 0.112 0.000 1.058 761 I HN -0.113 nan 8.210 nan 0.000 0.410 762 V N 1.271 121.268 119.914 0.138 0.000 2.287 762 V HA -0.323 3.790 4.120 -0.011 0.000 0.248 762 V C 2.262 178.402 176.094 0.077 0.000 1.053 762 V CA 2.485 64.854 62.300 0.114 0.000 1.027 762 V CB -1.019 30.887 31.823 0.138 0.000 0.646 762 V HN 0.490 nan 8.190 nan 0.000 0.447 763 N N -0.166 118.614 118.700 0.134 0.000 2.104 763 N HA -0.224 4.509 4.740 -0.011 0.000 0.190 763 N C 1.857 177.479 175.510 0.188 0.000 1.024 763 N CA 1.949 55.119 53.050 0.199 0.000 0.853 763 N CB -0.295 38.344 38.487 0.254 0.000 1.008 763 N HN 0.348 nan 8.380 nan 0.000 0.424 764 M N -0.208 119.501 119.600 0.181 0.000 2.067 764 M HA -0.114 4.359 4.480 -0.011 0.000 0.260 764 M C 1.475 177.787 176.300 0.020 0.000 1.069 764 M CA 1.314 56.720 55.300 0.177 0.000 1.117 764 M CB -0.692 32.004 32.600 0.160 0.000 1.334 764 M HN 0.222 nan 8.290 nan 0.000 0.407 765 L N 0.755 121.938 121.223 -0.068 0.000 2.042 765 L HA -0.229 4.104 4.340 -0.011 0.000 0.210 765 L C 2.465 179.048 176.870 -0.479 0.000 1.076 765 L CA 1.714 56.376 54.840 -0.296 0.000 0.749 765 L CB -1.156 40.758 42.059 -0.242 0.000 0.893 765 L HN 0.363 nan 8.230 nan 0.000 0.432 766 M N -2.010 117.365 119.600 -0.375 0.000 2.288 766 M HA -0.061 4.412 4.480 -0.011 0.000 0.266 766 M C 1.766 177.623 176.300 -0.739 0.000 1.072 766 M CA 1.394 56.349 55.300 -0.574 0.000 1.132 766 M CB -0.733 31.441 32.600 -0.710 0.000 1.386 766 M HN 0.345 nan 8.290 nan 0.000 0.432 767 H N -2.557 116.357 119.070 -0.260 0.000 3.400 767 H HA 0.267 4.816 4.556 -0.011 0.000 0.251 767 H C 0.355 175.326 175.328 -0.595 0.000 1.040 767 H CA 0.382 56.138 56.048 -0.486 0.000 1.175 767 H CB 0.767 30.108 29.762 -0.701 0.000 1.487 767 H HN 0.408 nan 8.280 nan 0.000 0.505 768 H N 0.425 119.550 119.070 0.092 0.000 2.767 768 H HA 0.137 4.686 4.556 -0.011 0.000 0.235 768 H C -0.610 174.745 175.328 0.045 0.000 1.256 768 H CA -0.202 55.892 56.048 0.076 0.000 0.957 768 H CB 1.064 30.876 29.762 0.084 0.000 2.117 768 H HN 0.126 nan 8.280 nan 0.000 0.602 769 D N 1.194 121.658 120.400 0.107 0.000 2.411 769 D HA 0.117 4.750 4.640 -0.011 0.000 0.225 769 D C 1.174 177.434 176.300 -0.067 0.000 1.156 769 D CA -0.332 53.699 54.000 0.052 0.000 0.874 769 D CB 0.599 41.411 40.800 0.020 0.000 1.034 769 D HN 0.166 nan 8.370 nan 0.000 0.502 770 R N 2.268 122.633 120.500 -0.226 0.000 2.237 770 R HA -0.039 4.294 4.340 -0.011 0.000 0.219 770 R C 0.569 176.379 176.300 -0.816 0.000 1.080 770 R CA 0.896 56.643 56.100 -0.589 0.000 0.995 770 R CB 0.101 29.858 30.300 -0.905 0.000 0.875 770 R HN 0.411 nan 8.270 nan 0.000 0.462 771 F N 0.108 120.025 119.950 -0.056 0.000 2.661 771 F HA 0.278 4.798 4.527 -0.011 0.000 0.306 771 F C 0.061 175.752 175.800 -0.183 0.000 1.094 771 F CA -0.675 57.280 58.000 -0.075 0.000 1.254 771 F CB 0.296 39.314 39.000 0.030 0.000 1.040 771 F HN -0.251 nan 8.300 nan 0.000 0.562 772 K N -0.367 119.862 120.400 -0.285 0.000 3.150 772 K HA -0.172 4.141 4.320 -0.011 0.000 0.267 772 K C 0.976 177.469 176.600 -0.179 0.000 1.028 772 K CA 0.204 56.144 56.287 -0.579 0.000 0.753 772 K CB -1.886 30.213 32.500 -0.669 0.000 1.288 772 K HN 0.199 nan 8.250 nan 0.000 0.473 773 V N 0.018 119.908 119.914 -0.040 0.000 2.282 773 V HA -0.299 3.815 4.120 -0.011 0.000 0.249 773 V C 1.951 178.194 176.094 0.249 0.000 1.057 773 V CA 2.399 64.755 62.300 0.093 0.000 1.032 773 V CB -0.492 31.390 31.823 0.099 0.000 0.645 773 V HN 0.486 nan 8.190 nan 0.000 0.447 774 F N 0.163 120.120 119.950 0.010 0.000 2.171 774 F HA -0.191 4.329 4.527 -0.012 0.000 0.300 774 F C 2.523 178.112 175.800 -0.351 0.000 1.090 774 F CA 0.654 58.598 58.000 -0.092 0.000 1.293 774 F CB -0.396 38.564 39.000 -0.067 0.000 1.013 774 F HN 0.201 nan 8.300 nan 0.000 0.486 775 A N -0.506 122.154 122.820 -0.267 0.000 2.019 775 A HA -0.199 4.114 4.320 -0.011 0.000 0.219 775 A C 1.434 179.007 177.584 -0.018 0.000 1.164 775 A CA 1.889 53.690 52.037 -0.392 0.000 0.644 775 A CB -0.457 18.461 19.000 -0.135 0.000 0.805 775 A HN 0.232 nan 8.150 nan 0.000 0.449 776 D N -2.847 117.604 120.400 0.085 0.000 2.369 776 D HA 0.100 4.733 4.640 -0.011 0.000 0.211 776 D C 1.114 177.571 176.300 0.262 0.000 1.077 776 D CA -0.044 54.079 54.000 0.205 0.000 0.842 776 D CB -0.085 40.853 40.800 0.229 0.000 0.947 776 D HN 0.605 nan 8.370 nan 0.000 0.509 777 Y N 1.753 122.127 120.300 0.122 0.000 2.145 777 Y HA -0.177 4.367 4.550 -0.011 0.000 0.286 777 Y C 2.223 178.197 175.900 0.123 0.000 1.145 777 Y CA 1.856 60.037 58.100 0.135 0.000 1.148 777 Y CB 0.218 38.724 38.460 0.075 0.000 0.981 777 Y HN -0.106 nan 8.280 nan 0.000 0.507 778 E N 0.035 120.288 120.200 0.089 0.000 2.051 778 E HA -0.235 4.108 4.350 -0.011 0.000 0.192 778 E C 2.173 178.734 176.600 -0.066 0.000 0.991 778 E CA 1.507 57.889 56.400 -0.030 0.000 0.799 778 E CB -0.146 29.640 29.700 0.144 0.000 0.748 778 E HN 0.598 nan 8.360 nan 0.000 0.449 779 E N -0.515 119.721 120.200 0.061 0.000 2.110 779 E HA -0.218 4.125 4.350 -0.011 0.000 0.193 779 E C 1.896 178.478 176.600 -0.029 0.000 0.988 779 E CA 0.940 57.396 56.400 0.095 0.000 0.804 779 E CB -0.171 29.678 29.700 0.249 0.000 0.745 779 E HN 0.346 nan 8.360 nan 0.000 0.458 780 Y N 1.293 121.394 120.300 -0.332 0.000 2.145 780 Y HA -0.225 4.318 4.550 -0.012 0.000 0.286 780 Y C 2.166 177.667 175.900 -0.666 0.000 1.145 780 Y CA 1.013 58.604 58.100 -0.849 0.000 1.148 780 Y CB -0.529 37.486 38.460 -0.741 0.000 0.981 780 Y HN -0.208 nan 8.280 nan 0.000 0.507 781 V N 0.610 120.157 119.914 -0.613 0.000 2.343 781 V HA -0.329 3.784 4.120 -0.011 0.000 0.247 781 V C 2.268 178.122 176.094 -0.399 0.000 1.051 781 V CA 2.412 64.366 62.300 -0.578 0.000 1.036 781 V CB -0.620 30.896 31.823 -0.512 0.000 0.654 781 V HN 0.310 nan 8.190 nan 0.000 0.451 782 K N -0.915 119.319 120.400 -0.276 0.000 2.057 782 K HA -0.186 4.127 4.320 -0.011 0.000 0.207 782 K C 2.280 178.786 176.600 -0.158 0.000 1.049 782 K CA 1.650 57.841 56.287 -0.159 0.000 0.931 782 K CB -0.612 31.843 32.500 -0.074 0.000 0.714 782 K HN 0.511 nan 8.250 nan 0.000 0.440 783 C N 1.341 120.520 119.300 -0.202 0.000 2.425 783 C HA -0.097 4.356 4.460 -0.011 0.000 0.277 783 C C 2.604 177.414 174.990 -0.299 0.000 1.280 783 C CA 0.809 59.735 59.018 -0.152 0.000 1.744 783 C CB -0.629 27.044 27.740 -0.112 0.000 1.989 783 C HN 0.437 nan 8.230 nan 0.000 0.491 784 Q N 0.438 119.923 119.800 -0.524 0.000 2.170 784 Q HA -0.173 4.160 4.340 -0.011 0.000 0.203 784 Q C 1.988 177.798 176.000 -0.317 0.000 0.976 784 Q CA 1.615 57.074 55.803 -0.573 0.000 0.858 784 Q CB -0.403 27.743 28.738 -0.987 0.000 0.907 784 Q HN 0.757 nan 8.270 nan 0.000 0.433 785 E N 0.234 120.300 120.200 -0.223 0.000 2.077 785 E HA -0.148 4.195 4.350 -0.011 0.000 0.193 785 E C 2.090 178.647 176.600 -0.072 0.000 0.989 785 E CA 0.651 56.982 56.400 -0.114 0.000 0.800 785 E CB -0.028 29.623 29.700 -0.081 0.000 0.746 785 E HN 0.266 nan 8.360 nan 0.000 0.452 786 R N 0.434 120.896 120.500 -0.063 0.000 2.120 786 R HA -0.094 4.239 4.340 -0.011 0.000 0.234 786 R C 2.420 178.711 176.300 -0.014 0.000 1.123 786 R CA 0.918 57.042 56.100 0.039 0.000 0.975 786 R CB -0.353 30.042 30.300 0.158 0.000 0.866 786 R HN 0.074 nan 8.270 nan 0.000 0.446 787 V N 0.693 120.414 119.914 -0.321 0.000 2.261 787 V HA -0.251 3.863 4.120 -0.011 0.000 0.246 787 V C 2.215 178.293 176.094 -0.026 0.000 1.047 787 V CA 2.025 64.052 62.300 -0.455 0.000 1.015 787 V CB -0.405 31.051 31.823 -0.613 0.000 0.642 787 V HN 0.289 nan 8.190 nan 0.000 0.446 788 S N 0.121 115.781 115.700 -0.067 0.000 2.383 788 S HA -0.189 4.274 4.470 -0.011 0.000 0.229 788 S C 2.209 176.869 174.600 0.099 0.000 1.030 788 S CA 1.411 59.607 58.200 -0.006 0.000 1.002 788 S CB -0.531 62.639 63.200 -0.050 0.000 0.829 788 S HN 0.656 nan 8.310 nan 0.000 0.467 789 A N 1.288 124.166 122.820 0.097 0.000 1.883 789 A HA -0.075 4.238 4.320 -0.011 0.000 0.217 789 A C 2.125 179.821 177.584 0.186 0.000 1.186 789 A CA 1.460 53.574 52.037 0.129 0.000 0.624 789 A CB -0.737 18.328 19.000 0.108 0.000 0.822 789 A HN 0.419 nan 8.150 nan 0.000 0.444 790 L N -2.046 119.343 121.223 0.275 0.000 2.093 790 L HA -0.089 4.245 4.340 -0.011 0.000 0.208 790 L C 2.247 179.382 176.870 0.442 0.000 1.085 790 L CA 1.866 56.940 54.840 0.391 0.000 0.755 790 L CB -0.724 41.661 42.059 0.543 0.000 0.904 790 L HN 0.510 nan 8.230 nan 0.000 0.435 791 Y N 0.178 120.607 120.300 0.215 0.000 2.352 791 Y HA -0.220 4.324 4.550 -0.010 0.000 0.292 791 Y C 2.275 178.112 175.900 -0.106 0.000 1.136 791 Y CA 1.529 59.515 58.100 -0.191 0.000 1.227 791 Y CB -0.073 38.069 38.460 -0.530 0.000 0.991 791 Y HN 0.165 nan 8.280 nan 0.000 0.545 792 K N -0.129 120.321 120.400 0.084 0.000 2.362 792 K HA -0.133 4.180 4.320 -0.011 0.000 0.200 792 K C 0.387 176.974 176.600 -0.022 0.000 1.046 792 K CA 0.753 57.067 56.287 0.045 0.000 0.952 792 K CB -0.078 32.485 32.500 0.104 0.000 0.753 792 K HN 0.055 nan 8.250 nan 0.000 0.466 793 N N 0.473 119.173 118.700 0.001 0.000 2.898 793 N HA 0.131 4.865 4.740 -0.011 0.000 0.245 793 N C -2.430 173.079 175.510 -0.002 0.000 1.185 793 N CA -2.119 50.936 53.050 0.008 0.000 0.879 793 N CB 1.165 39.688 38.487 0.059 0.000 1.157 793 N HN -0.195 nan 8.380 nan 0.000 0.503 794 P HA -0.193 nan 4.420 nan 0.000 0.216 794 P C 1.376 178.685 177.300 0.014 0.000 1.154 794 P CA 1.243 64.269 63.100 -0.124 0.000 0.865 794 P CB 0.386 31.994 31.700 -0.153 0.000 0.789 795 R N -0.159 120.350 120.500 0.015 0.000 2.075 795 R HA -0.136 4.197 4.340 -0.011 0.000 0.232 795 R C 1.983 178.322 176.300 0.064 0.000 1.126 795 R CA 1.335 57.455 56.100 0.033 0.000 0.963 795 R CB -0.310 30.001 30.300 0.019 0.000 0.858 795 R HN 0.078 nan 8.270 nan 0.000 0.435 796 E N -0.056 120.192 120.200 0.080 0.000 2.158 796 E HA -0.205 4.138 4.350 -0.011 0.000 0.191 796 E C 1.573 178.245 176.600 0.120 0.000 0.982 796 E CA 0.546 56.997 56.400 0.085 0.000 0.823 796 E CB -0.414 29.334 29.700 0.080 0.000 0.766 796 E HN 0.495 nan 8.360 nan 0.000 0.468 797 W N 2.272 123.565 121.300 -0.011 0.000 2.333 797 W HA -0.220 4.432 4.660 -0.013 0.000 0.316 797 W C 1.677 178.194 176.519 -0.004 0.000 1.215 797 W CA 2.276 59.624 57.345 0.006 0.000 1.278 797 W CB -0.517 28.910 29.460 -0.056 0.000 1.154 797 W HN 0.040 nan 8.180 nan 0.000 0.486 798 T N 1.174 115.858 114.554 0.217 0.000 2.788 798 T HA -0.186 4.158 4.350 -0.011 0.000 0.268 798 T C 1.845 176.550 174.700 0.009 0.000 1.044 798 T CA 1.794 63.953 62.100 0.098 0.000 1.139 798 T CB -0.331 68.581 68.868 0.073 0.000 0.867 798 T HN 0.186 nan 8.240 nan 0.000 0.454 799 R N 0.421 120.933 120.500 0.019 0.000 2.096 799 R HA 0.069 4.402 4.340 -0.011 0.000 0.235 799 R C 2.516 178.799 176.300 -0.027 0.000 1.127 799 R CA 1.278 57.388 56.100 0.016 0.000 0.968 799 R CB -0.348 29.968 30.300 0.027 0.000 0.861 799 R HN 0.369 nan 8.270 nan 0.000 0.440 800 M N 0.486 120.032 119.600 -0.091 0.000 2.175 800 M HA -0.145 4.328 4.480 -0.011 0.000 0.264 800 M C 1.951 178.141 176.300 -0.183 0.000 1.063 800 M CA 1.397 56.601 55.300 -0.159 0.000 1.119 800 M CB 0.148 32.596 32.600 -0.253 0.000 1.377 800 M HN -0.015 nan 8.290 nan 0.000 0.415 801 V N 1.041 120.823 119.914 -0.219 0.000 2.255 801 V HA -0.332 3.781 4.120 -0.011 0.000 0.247 801 V C 2.226 178.289 176.094 -0.050 0.000 1.051 801 V CA 2.202 64.407 62.300 -0.158 0.000 1.018 801 V CB -0.683 31.075 31.823 -0.110 0.000 0.641 801 V HN 0.521 nan 8.190 nan 0.000 0.445 802 I N -0.540 120.028 120.570 -0.003 0.000 2.264 802 I HA -0.276 3.887 4.170 -0.011 0.000 0.248 802 I C 2.697 178.859 176.117 0.075 0.000 1.111 802 I CA 1.624 62.975 61.300 0.085 0.000 1.382 802 I CB -0.459 37.650 38.000 0.181 0.000 1.060 802 I HN 0.230 nan 8.210 nan 0.000 0.418 803 R N 0.468 120.988 120.500 0.034 0.000 2.120 803 R HA -0.118 4.216 4.340 -0.011 0.000 0.234 803 R C 2.034 178.363 176.300 0.049 0.000 1.123 803 R CA 1.235 57.355 56.100 0.034 0.000 0.975 803 R CB -0.451 29.854 30.300 0.008 0.000 0.866 803 R HN 0.543 nan 8.270 nan 0.000 0.446 804 N N 0.678 119.393 118.700 0.025 0.000 2.109 804 N HA -0.079 4.654 4.740 -0.011 0.000 0.188 804 N C 1.985 177.549 175.510 0.089 0.000 1.034 804 N CA 1.093 54.178 53.050 0.059 0.000 0.846 804 N CB -0.050 38.414 38.487 -0.039 0.000 1.010 804 N HN 0.108 nan 8.380 nan 0.000 0.425 805 I N 1.711 122.319 120.570 0.064 0.000 2.194 805 I HA -0.261 3.902 4.170 -0.011 0.000 0.246 805 I C 2.451 178.617 176.117 0.082 0.000 1.093 805 I CA 1.013 62.359 61.300 0.077 0.000 1.355 805 I CB -0.325 37.715 38.000 0.067 0.000 1.046 805 I HN 0.108 nan 8.210 nan 0.000 0.413 806 A N 0.200 123.068 122.820 0.080 0.000 2.070 806 A HA -0.162 4.152 4.320 -0.011 0.000 0.220 806 A C 2.056 179.678 177.584 0.064 0.000 1.159 806 A CA 2.040 54.115 52.037 0.064 0.000 0.656 806 A CB -0.847 18.192 19.000 0.065 0.000 0.800 806 A HN 0.543 nan 8.150 nan 0.000 0.453 807 T N -2.981 111.628 114.554 0.092 0.000 3.174 807 T HA 0.193 4.536 4.350 -0.011 0.000 0.269 807 T C 1.132 175.929 174.700 0.160 0.000 1.017 807 T CA 0.605 62.764 62.100 0.099 0.000 0.899 807 T CB -0.155 68.775 68.868 0.105 0.000 1.077 807 T HN 0.474 nan 8.240 nan 0.000 0.552 808 S N 0.166 115.976 115.700 0.183 0.000 2.558 808 S HA 0.233 4.696 4.470 -0.011 0.000 0.217 808 S C 2.220 176.950 174.600 0.218 0.000 0.975 808 S CA 0.302 58.683 58.200 0.303 0.000 0.912 808 S CB -0.653 62.693 63.200 0.244 0.000 0.776 808 S HN 0.525 nan 8.310 nan 0.000 0.526 809 G N 2.612 111.459 108.800 0.079 0.000 2.469 809 G HA2 -0.288 3.665 3.960 -0.011 0.000 0.220 809 G HA3 -0.288 3.665 3.960 -0.011 0.000 0.220 809 G C 1.330 176.175 174.900 -0.092 0.000 1.136 809 G CA 1.032 46.142 45.100 0.017 0.000 0.759 809 G HN 0.607 nan 8.290 nan 0.000 0.562 810 K N -0.184 120.032 120.400 -0.305 0.000 2.281 810 K HA -0.027 4.286 4.320 -0.011 0.000 0.203 810 K C 1.267 177.537 176.600 -0.550 0.000 1.046 810 K CA 0.760 56.724 56.287 -0.538 0.000 0.938 810 K CB -0.253 31.729 32.500 -0.863 0.000 0.737 810 K HN 0.427 nan 8.250 nan 0.000 0.458 811 F N 0.710 120.692 119.950 0.054 0.000 2.692 811 F HA 0.140 4.660 4.527 -0.012 0.000 0.303 811 F C 0.798 176.644 175.800 0.078 0.000 1.114 811 F CA -0.628 57.410 58.000 0.064 0.000 1.361 811 F CB 0.468 39.503 39.000 0.058 0.000 1.063 811 F HN -0.128 nan 8.300 nan 0.000 0.550 812 S N 0.505 116.293 115.700 0.146 0.000 2.531 812 S HA 0.028 4.492 4.470 -0.011 0.000 0.279 812 S C 1.508 176.193 174.600 0.142 0.000 1.305 812 S CA -0.084 58.197 58.200 0.134 0.000 1.058 812 S CB 0.724 63.973 63.200 0.081 0.000 0.899 812 S HN 0.385 nan 8.310 nan 0.000 0.493 813 S N 3.397 119.205 115.700 0.181 0.000 2.469 813 S HA -0.105 4.358 4.470 -0.011 0.000 0.238 813 S C 0.992 175.654 174.600 0.102 0.000 0.998 813 S CA 0.928 59.257 58.200 0.214 0.000 0.957 813 S CB -0.370 63.028 63.200 0.331 0.000 0.764 813 S HN 0.800 nan 8.310 nan 0.000 0.514 814 D N 1.798 122.240 120.400 0.071 0.000 2.144 814 D HA -0.084 4.549 4.640 -0.011 0.000 0.199 814 D C 2.102 178.410 176.300 0.014 0.000 0.984 814 D CA 0.799 54.818 54.000 0.031 0.000 0.834 814 D CB -0.346 40.469 40.800 0.025 0.000 0.955 814 D HN 0.314 nan 8.370 nan 0.000 0.465 815 R N 0.807 121.318 120.500 0.018 0.000 2.066 815 R HA -0.086 4.247 4.340 -0.011 0.000 0.232 815 R C 1.902 178.199 176.300 -0.005 0.000 1.131 815 R CA 1.416 57.512 56.100 -0.006 0.000 0.955 815 R CB -0.787 29.497 30.300 -0.027 0.000 0.851 815 R HN 0.119 nan 8.270 nan 0.000 0.432 816 T N 2.288 116.863 114.554 0.036 0.000 2.635 816 T HA -0.134 4.209 4.350 -0.011 0.000 0.267 816 T C 1.940 176.647 174.700 0.013 0.000 1.040 816 T CA 1.473 63.614 62.100 0.068 0.000 1.156 816 T CB -0.141 68.849 68.868 0.202 0.000 0.863 816 T HN 0.117 nan 8.240 nan 0.000 0.430 817 I N 1.646 122.147 120.570 -0.115 0.000 2.315 817 I HA -0.092 4.071 4.170 -0.011 0.000 0.248 817 I C 2.948 179.020 176.117 -0.074 0.000 1.117 817 I CA 0.993 62.184 61.300 -0.182 0.000 1.404 817 I CB -1.620 36.269 38.000 -0.186 0.000 1.071 817 I HN 0.199 nan 8.210 nan 0.000 0.419 818 A N 0.309 123.106 122.820 -0.039 0.000 1.940 818 A HA -0.248 4.066 4.320 -0.011 0.000 0.219 818 A C 2.258 179.802 177.584 -0.068 0.000 1.176 818 A CA 1.548 53.569 52.037 -0.028 0.000 0.631 818 A CB -0.559 18.431 19.000 -0.017 0.000 0.814 818 A HN 0.521 nan 8.150 nan 0.000 0.446 819 Q N -1.848 117.894 119.800 -0.097 0.000 2.049 819 Q HA -0.157 4.176 4.340 -0.011 0.000 0.198 819 Q C 1.956 177.787 176.000 -0.282 0.000 0.971 819 Q CA 1.627 57.333 55.803 -0.162 0.000 0.833 819 Q CB -0.331 28.305 28.738 -0.171 0.000 0.896 819 Q HN 0.816 nan 8.270 nan 0.000 0.434 820 Y N 0.711 120.723 120.300 -0.480 0.000 2.114 820 Y HA -0.314 4.229 4.550 -0.012 0.000 0.282 820 Y C 2.504 177.839 175.900 -0.942 0.000 1.165 820 Y CA 1.284 58.842 58.100 -0.902 0.000 1.148 820 Y CB -0.467 37.133 38.460 -1.432 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.291 122.886 122.820 -0.374 0.000 1.883 821 A HA -0.232 4.081 4.320 -0.011 0.000 0.217 821 A C 2.242 179.842 177.584 0.026 0.000 1.186 821 A CA 2.089 54.151 52.037 0.041 0.000 0.624 821 A CB -0.568 18.530 19.000 0.163 0.000 0.822 821 A HN 0.436 nan 8.150 nan 0.000 0.444 822 R N -0.770 119.705 120.500 -0.042 0.000 2.093 822 R HA -0.019 4.314 4.340 -0.011 0.000 0.224 822 R C 1.807 178.085 176.300 -0.038 0.000 1.101 822 R CA 1.438 57.525 56.100 -0.021 0.000 0.979 822 R CB -0.159 30.125 30.300 -0.027 0.000 0.877 822 R HN 0.665 nan 8.270 nan 0.000 0.441 823 E N -0.467 119.670 120.200 -0.105 0.000 2.415 823 E HA 0.099 4.442 4.350 -0.011 0.000 0.197 823 E C 1.457 178.009 176.600 -0.079 0.000 1.007 823 E CA 0.422 56.764 56.400 -0.097 0.000 0.890 823 E CB 0.553 30.168 29.700 -0.141 0.000 0.891 823 E HN 0.282 nan 8.360 nan 0.000 0.496 824 I N -1.097 119.392 120.570 -0.136 0.000 3.570 824 I HA 0.026 4.189 4.170 -0.011 0.000 0.270 824 I C 1.325 177.583 176.117 0.236 0.000 1.162 824 I CA -0.050 61.234 61.300 -0.026 0.000 1.413 824 I CB 0.257 38.105 38.000 -0.254 0.000 1.437 824 I HN 0.109 nan 8.210 nan 0.000 0.457 825 W N 1.473 122.864 121.300 0.152 0.000 2.737 825 W HA 0.332 4.985 4.660 -0.011 0.000 0.262 825 W C 1.511 178.067 176.519 0.062 0.000 1.282 825 W CA 0.782 58.200 57.345 0.122 0.000 1.386 825 W CB -1.043 28.478 29.460 0.102 0.000 1.099 825 W HN 0.316 nan 8.180 nan 0.000 0.621 826 G N 1.197 110.137 108.800 0.233 0.000 2.225 826 G HA2 -0.121 3.832 3.960 -0.011 0.000 0.264 826 G HA3 -0.121 3.832 3.960 -0.011 0.000 0.264 826 G C -0.272 174.700 174.900 0.119 0.000 1.060 826 G CA 0.276 45.454 45.100 0.129 0.000 0.833 826 G HN 0.398 nan 8.290 nan 0.000 0.498 827 V N -4.430 115.576 119.914 0.153 0.000 2.962 827 V HA 0.921 5.034 4.120 -0.011 0.000 0.313 827 V C -0.342 175.811 176.094 0.099 0.000 1.099 827 V CA -1.662 60.709 62.300 0.117 0.000 0.971 827 V CB 2.366 34.267 31.823 0.128 0.000 1.028 827 V HN 0.125 nan 8.190 nan 0.000 0.430 828 E N 2.800 123.041 120.200 0.069 0.000 2.156 828 E HA 0.562 4.906 4.350 -0.011 0.000 0.279 828 E C -2.564 174.072 176.600 0.060 0.000 0.965 828 E CA -1.705 54.728 56.400 0.056 0.000 0.789 828 E CB 1.866 31.590 29.700 0.041 0.000 1.098 828 E HN 0.715 nan 8.360 nan 0.000 0.397 829 P HA 0.117 nan 4.420 nan 0.000 0.272 829 P C -0.774 176.556 177.300 0.048 0.000 1.230 829 P CA -0.304 62.830 63.100 0.057 0.000 0.788 829 P CB 0.713 32.441 31.700 0.047 0.000 0.949 830 S N 0.826 116.557 115.700 0.051 0.000 2.619 830 S HA 0.308 4.771 4.470 -0.011 0.000 0.280 830 S C 0.333 174.960 174.600 0.045 0.000 1.150 830 S CA -0.700 57.529 58.200 0.049 0.000 0.978 830 S CB 0.736 63.971 63.200 0.060 0.000 1.041 830 S HN 0.234 nan 8.310 nan 0.000 0.485 831 R N 2.457 122.979 120.500 0.037 0.000 2.334 831 R HA 0.179 4.512 4.340 -0.011 0.000 0.220 831 R C 0.002 176.317 176.300 0.024 0.000 0.917 831 R CA 0.113 56.233 56.100 0.034 0.000 1.073 831 R CB 0.065 30.385 30.300 0.033 0.000 1.056 831 R HN 0.693 nan 8.270 nan 0.000 0.506 832 Q N 0.936 120.750 119.800 0.023 0.000 2.332 832 Q HA 0.102 4.435 4.340 -0.011 0.000 0.263 832 Q C -0.299 175.699 176.000 -0.004 0.000 0.979 832 Q CA 0.062 55.872 55.803 0.011 0.000 0.885 832 Q CB 0.882 29.630 28.738 0.017 0.000 1.218 832 Q HN -0.201 nan 8.270 nan 0.000 0.405 833 R N 1.623 122.111 120.500 -0.020 0.000 2.537 833 R HA 0.151 4.484 4.340 -0.011 0.000 0.280 833 R C -0.415 175.848 176.300 -0.062 0.000 1.058 833 R CA 0.115 56.191 56.100 -0.040 0.000 1.057 833 R CB 0.302 30.576 30.300 -0.044 0.000 0.973 833 R HN 0.497 nan 8.270 nan 0.000 0.438 834 L N 5.680 126.851 121.223 -0.088 0.000 2.418 834 L HA 0.337 4.670 4.340 -0.011 0.000 0.265 834 L C -1.653 175.159 176.870 -0.097 0.000 1.143 834 L CA -1.991 52.767 54.840 -0.137 0.000 0.809 834 L CB 0.830 42.779 42.059 -0.184 0.000 1.124 834 L HN 0.471 nan 8.230 nan 0.000 0.456 835 P HA 0.055 nan 4.420 nan 0.000 0.268 835 P C -0.587 176.683 177.300 -0.050 0.000 1.204 835 P CA -0.232 62.832 63.100 -0.060 0.000 0.768 835 P CB 0.763 32.432 31.700 -0.052 0.000 0.842 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.011 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486