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 1c8l_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIX VRGLAGVENV TELKKNFNRH LHFTLVKDRN VATPRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YEKDPKRIYY LSLEFYMGRT LQNTMVNLAL DATA SEQUENCE ENACDEATYQ LGLDMEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEFG IFNQKICGGW QMEEADDWLR YGNPWEKARP EFTLPVHFYG DATA SEQUENCE RVEHTSQGAK WVDTQVVLAM PYDTPVPGYR NNVVNTMRLW SAKAPNXXXX DATA SEQUENCE XXXXXGGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSS XXXXXXXXXX NFDAFPDKVA IQLNDTHPSL AIPELMRVLV DATA SEQUENCE DLERLDWDKA WEVTVKTCAY TNHTVLPEAL ERWPVHLLET LLPRHLQIIY DATA SEQUENCE EINQRFLNRV AAAFPGDVDR LRRMSLVEEG AVKRINMAHL CIAGSHAVNG DATA SEQUENCE VARIHSEILK KTIFKDFYEL EPHKFQNKTN GITPRRWLVL CNPGLAEIIA DATA SEQUENCE ERIGEEYISD LDQLRKLLSY VDDEAFIRDV AKVKQENKLK FAAYLEREYK DATA SEQUENCE VHINPNSLFD VQVKRIHEYK RQLLNCLHVI TLYNRIKKEP NKFVVPRTVM DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT AIGDVVNHDP VVGDRLRVIF LENYRVSLAE DATA SEQUENCE KVIPAADLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENFFIFGMR VEDVDRLDQR GYNAQEYYDR IPELRQIIEQ LSSGFFSPKQ DATA SEQUENCE PDLFKDIVNM LMHHDRFKVF ADYEEYVKCQ ERVSALYKNP REWTRMVIRN DATA SEQUENCE IATSGKFSSD RTIAQYAREI WGVEPSRQRL P 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.596 174.600 -0.006 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 5 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 6 D N 0.375 120.771 120.400 -0.007 0.000 4.472 6 D HA -0.257 4.371 4.640 -0.020 0.000 0.293 6 D C 1.040 177.335 176.300 -0.010 0.000 0.500 6 D CA 2.439 56.434 54.000 -0.009 0.000 1.076 6 D CB -0.603 40.192 40.800 -0.008 0.000 0.581 6 D HN 0.437 nan 8.370 nan 0.000 0.326 7 Q N -0.249 119.546 119.800 -0.009 0.000 2.436 7 Q HA -0.022 4.306 4.340 -0.020 0.000 0.209 7 Q C 1.480 177.476 176.000 -0.008 0.000 0.965 7 Q CA 0.842 56.639 55.803 -0.009 0.000 0.910 7 Q CB 0.083 28.817 28.738 -0.008 0.000 0.980 7 Q HN 0.531 nan 8.270 nan 0.000 0.491 8 E N 0.283 120.479 120.200 -0.006 0.000 2.447 8 E HA 0.015 4.353 4.350 -0.020 0.000 0.195 8 E C 1.055 177.651 176.600 -0.006 0.000 1.028 8 E CA 0.256 56.653 56.400 -0.005 0.000 0.876 8 E CB 0.368 30.066 29.700 -0.004 0.000 0.885 8 E HN 0.285 nan 8.360 nan 0.000 0.500 9 K N 0.151 120.546 120.400 -0.008 0.000 2.418 9 K HA 0.111 4.419 4.320 -0.020 0.000 0.195 9 K C 1.603 178.196 176.600 -0.012 0.000 1.035 9 K CA 0.183 56.464 56.287 -0.009 0.000 1.003 9 K CB 0.379 32.873 32.500 -0.010 0.000 0.793 9 K HN -0.144 nan 8.250 nan 0.000 0.494 10 R N 0.630 121.122 120.500 -0.012 0.000 2.310 10 R HA 0.056 4.384 4.340 -0.020 0.000 0.202 10 R C 1.221 177.513 176.300 -0.014 0.000 0.933 10 R CA 0.361 56.452 56.100 -0.015 0.000 1.054 10 R CB 0.145 30.435 30.300 -0.018 0.000 0.985 10 R HN 0.142 nan 8.270 nan 0.000 0.489 11 K N 0.843 121.237 120.400 -0.010 0.000 2.288 11 K HA -0.088 4.220 4.320 -0.020 0.000 0.201 11 K C 1.765 178.360 176.600 -0.008 0.000 1.048 11 K CA 0.813 57.095 56.287 -0.008 0.000 0.956 11 K CB 0.215 32.712 32.500 -0.004 0.000 0.746 11 K HN 0.271 nan 8.250 nan 0.000 0.461 12 Q N 0.592 120.387 119.800 -0.010 0.000 2.050 12 Q HA -0.077 4.250 4.340 -0.020 0.000 0.202 12 Q C 1.067 177.060 176.000 -0.012 0.000 0.980 12 Q CA 0.902 56.699 55.803 -0.010 0.000 0.840 12 Q CB -0.229 28.503 28.738 -0.011 0.000 0.898 12 Q HN 0.260 nan 8.270 nan 0.000 0.424 16 R N 2.373 122.875 120.500 0.003 0.000 2.316 16 R HA -0.184 4.144 4.340 -0.020 0.000 0.218 16 R C 1.194 177.498 176.300 0.007 0.000 1.089 16 R CA 2.519 58.622 56.100 0.005 0.000 0.737 16 R CB -1.929 28.372 30.300 0.003 0.000 0.950 16 R HN 1.393 nan 8.270 nan 0.000 0.354 17 G N 1.212 110.014 108.800 0.004 0.000 2.417 17 G HA2 0.560 4.508 3.960 -0.020 0.000 0.320 17 G HA3 0.560 4.508 3.960 -0.020 0.000 0.320 17 G C -0.511 174.390 174.900 0.001 0.000 1.204 17 G CA -0.855 44.248 45.100 0.005 0.000 0.923 17 G HN 0.254 nan 8.290 nan 0.000 0.466 18 L N 2.548 123.771 121.223 -0.001 0.000 2.849 18 L HA 0.763 5.091 4.340 -0.020 0.000 0.230 18 L C 1.406 178.262 176.870 -0.023 0.000 1.589 18 L CA -0.445 54.384 54.840 -0.019 0.000 1.664 18 L CB 1.124 43.165 42.059 -0.031 0.000 2.392 18 L HN 0.498 nan 8.230 nan 0.000 0.586 19 A N -0.026 122.757 122.820 -0.063 0.000 2.176 19 A HA 0.426 4.734 4.320 -0.020 0.000 0.214 19 A C 0.972 178.567 177.584 0.019 0.000 1.327 19 A CA 0.930 52.943 52.037 -0.040 0.000 1.015 19 A CB -1.669 17.266 19.000 -0.109 0.000 0.818 19 A HN 1.457 nan 8.150 nan 0.000 0.500 20 G N -1.633 107.183 108.800 0.027 0.000 2.715 20 G HA2 -0.093 3.855 3.960 -0.020 0.000 0.221 20 G HA3 -0.093 3.855 3.960 -0.020 0.000 0.221 20 G C 0.619 175.559 174.900 0.066 0.000 1.204 20 G CA 0.409 45.539 45.100 0.050 0.000 1.063 20 G HN 1.485 nan 8.290 nan 0.000 0.586 21 V N -3.308 116.655 119.914 0.081 0.000 3.330 21 V HA 0.632 4.740 4.120 -0.020 0.000 0.309 21 V C 0.477 176.621 176.094 0.083 0.000 1.481 21 V CA 1.113 63.457 62.300 0.072 0.000 1.068 21 V CB 0.143 31.991 31.823 0.042 0.000 0.935 21 V HN 1.403 nan 8.190 nan 0.000 0.453 22 E N -0.018 120.265 120.200 0.138 0.000 2.567 22 E HA -0.151 4.187 4.350 -0.020 0.000 0.295 22 E C -0.377 176.237 176.600 0.023 0.000 1.000 22 E CA 0.578 57.024 56.400 0.077 0.000 0.878 22 E CB -2.176 27.517 29.700 -0.012 0.000 1.387 22 E HN 0.884 nan 8.360 nan 0.000 0.399 23 N N -0.948 117.785 118.700 0.054 0.000 2.701 23 N HA 0.382 5.110 4.740 -0.020 0.000 0.290 23 N C 1.339 176.874 175.510 0.042 0.000 1.338 23 N CA -0.381 52.687 53.050 0.030 0.000 0.799 23 N CB 2.125 40.627 38.487 0.025 0.000 1.491 23 N HN -0.129 nan 8.380 nan 0.000 0.540 24 V N 0.533 120.462 119.914 0.026 0.000 2.282 24 V HA -0.253 3.855 4.120 -0.020 0.000 0.249 24 V C 2.090 178.207 176.094 0.039 0.000 1.057 24 V CA 1.887 64.203 62.300 0.027 0.000 1.032 24 V CB -0.791 31.041 31.823 0.015 0.000 0.645 24 V HN 0.759 nan 8.190 nan 0.000 0.447 25 T N -0.426 114.150 114.554 0.037 0.000 2.622 25 T HA -0.197 4.141 4.350 -0.020 0.000 0.266 25 T C 1.917 176.650 174.700 0.056 0.000 1.047 25 T CA 1.680 63.803 62.100 0.040 0.000 1.159 25 T CB -0.312 68.576 68.868 0.032 0.000 0.863 25 T HN 0.449 nan 8.240 nan 0.000 0.422 26 E N 0.673 120.913 120.200 0.066 0.000 2.150 26 E HA -0.017 4.321 4.350 -0.020 0.000 0.193 26 E C 2.186 178.856 176.600 0.117 0.000 0.985 26 E CA 0.460 56.910 56.400 0.082 0.000 0.814 26 E CB -0.402 29.349 29.700 0.085 0.000 0.752 26 E HN 0.259 nan 8.360 nan 0.000 0.466 27 L N 1.268 122.570 121.223 0.131 0.000 2.027 27 L HA -0.147 4.181 4.340 -0.020 0.000 0.206 27 L C 2.117 179.088 176.870 0.170 0.000 1.074 27 L CA 1.710 56.653 54.840 0.171 0.000 0.745 27 L CB -0.507 41.631 42.059 0.131 0.000 0.898 27 L HN -0.013 nan 8.230 nan 0.000 0.433 28 K N -0.887 119.578 120.400 0.109 0.000 2.026 28 K HA -0.233 4.075 4.320 -0.020 0.000 0.208 28 K C 2.154 178.853 176.600 0.165 0.000 1.048 28 K CA 1.411 57.759 56.287 0.102 0.000 0.929 28 K CB -0.131 32.395 32.500 0.042 0.000 0.713 28 K HN -0.026 nan 8.250 nan 0.000 0.439 29 K N 1.170 121.640 120.400 0.117 0.000 2.059 29 K HA -0.146 4.162 4.320 -0.020 0.000 0.212 29 K C 1.690 178.357 176.600 0.111 0.000 1.050 29 K CA 1.647 57.990 56.287 0.093 0.000 0.927 29 K CB -0.121 32.416 32.500 0.062 0.000 0.714 29 K HN 0.150 nan 8.250 nan 0.000 0.447 30 N N -0.803 117.985 118.700 0.147 0.000 2.270 30 N HA -0.121 4.607 4.740 -0.020 0.000 0.181 30 N C 1.642 177.310 175.510 0.263 0.000 1.016 30 N CA 0.894 54.043 53.050 0.164 0.000 0.870 30 N CB -0.121 38.479 38.487 0.188 0.000 0.979 30 N HN 0.176 nan 8.380 nan 0.000 0.431 31 F N 2.365 122.400 119.950 0.140 0.000 2.146 31 F HA -0.048 4.467 4.527 -0.020 0.000 0.298 31 F C 2.145 178.015 175.800 0.116 0.000 1.096 31 F CA 1.191 59.279 58.000 0.148 0.000 1.275 31 F CB -0.340 38.721 39.000 0.102 0.000 1.008 31 F HN -0.018 nan 8.300 nan 0.000 0.480 32 N N 0.430 119.310 118.700 0.301 0.000 2.084 32 N HA -0.206 4.522 4.740 -0.020 0.000 0.190 32 N C 2.096 177.611 175.510 0.008 0.000 1.030 32 N CA 1.305 54.456 53.050 0.169 0.000 0.849 32 N CB -0.188 38.413 38.487 0.190 0.000 1.012 32 N HN 0.309 nan 8.380 nan 0.000 0.423 33 R N -0.099 120.371 120.500 -0.050 0.000 2.091 33 R HA -0.095 4.233 4.340 -0.020 0.000 0.238 33 R C 2.180 178.338 176.300 -0.236 0.000 1.136 33 R CA 1.239 57.209 56.100 -0.215 0.000 0.959 33 R CB -0.180 30.005 30.300 -0.191 0.000 0.856 33 R HN 0.391 nan 8.270 nan 0.000 0.437 34 H N -0.392 118.603 119.070 -0.124 0.000 2.395 34 H HA -0.090 4.454 4.556 -0.020 0.000 0.299 34 H C 1.968 177.151 175.328 -0.242 0.000 1.070 34 H CA 1.229 57.180 56.048 -0.162 0.000 1.356 34 H CB -0.015 29.654 29.762 -0.156 0.000 1.401 34 H HN 0.114 nan 8.280 nan 0.000 0.524 35 L N 0.464 121.540 121.223 -0.246 0.000 2.083 35 L HA -0.156 4.172 4.340 -0.020 0.000 0.209 35 L C 2.244 178.892 176.870 -0.370 0.000 1.083 35 L CA 1.677 56.292 54.840 -0.375 0.000 0.752 35 L CB -0.427 41.339 42.059 -0.488 0.000 0.899 35 L HN 0.247 nan 8.230 nan 0.000 0.433 36 H N -1.859 117.118 119.070 -0.155 0.000 2.344 36 H HA 0.033 4.577 4.556 -0.020 0.000 0.307 36 H C 2.041 177.402 175.328 0.055 0.000 1.057 36 H CA 1.533 57.504 56.048 -0.127 0.000 1.373 36 H CB -0.195 29.385 29.762 -0.303 0.000 1.421 36 H HN 0.254 nan 8.280 nan 0.000 0.532 37 F N 0.941 120.898 119.950 0.011 0.000 2.293 37 F HA -0.022 4.493 4.527 -0.020 0.000 0.297 37 F C 2.390 178.130 175.800 -0.100 0.000 1.089 37 F CA 0.811 58.778 58.000 -0.056 0.000 1.377 37 F CB -0.751 38.196 39.000 -0.089 0.000 1.051 37 F HN 0.058 nan 8.300 nan 0.000 0.511 38 T N -0.445 114.148 114.554 0.066 0.000 3.010 38 T HA 0.089 4.427 4.350 -0.020 0.000 0.252 38 T C 1.933 176.571 174.700 -0.104 0.000 1.047 38 T CA 0.629 62.695 62.100 -0.058 0.000 1.140 38 T CB -0.114 68.694 68.868 -0.100 0.000 0.885 38 T HN 0.074 nan 8.240 nan 0.000 0.464 39 L N 1.061 122.226 121.223 -0.098 0.000 2.640 39 L HA 0.259 4.587 4.340 -0.020 0.000 0.230 39 L C 0.134 176.950 176.870 -0.091 0.000 1.123 39 L CA -0.097 54.665 54.840 -0.130 0.000 0.900 39 L CB 0.179 42.136 42.059 -0.170 0.000 1.146 39 L HN -0.073 nan 8.230 nan 0.000 0.484 40 V N 0.918 120.817 119.914 -0.025 0.000 5.889 40 V HA -0.304 3.804 4.120 -0.020 0.000 0.209 40 V C 0.035 176.119 176.094 -0.016 0.000 0.681 40 V CA 1.106 63.419 62.300 0.022 0.000 0.547 40 V CB -2.068 29.758 31.823 0.005 0.000 0.309 40 V HN 0.412 nan 8.190 nan 0.000 0.471 41 K N 1.273 121.648 120.400 -0.041 0.000 2.533 41 K HA 0.683 4.991 4.320 -0.020 0.000 0.284 41 K C -0.778 175.759 176.600 -0.105 0.000 1.025 41 K CA -0.454 55.783 56.287 -0.084 0.000 0.900 41 K CB 2.854 35.249 32.500 -0.176 0.000 1.519 41 K HN 0.564 nan 8.250 nan 0.000 0.432 42 D N -1.210 119.154 120.400 -0.061 0.000 2.559 42 D HA 0.196 4.824 4.640 -0.020 0.000 0.250 42 D C 0.599 176.904 176.300 0.007 0.000 1.135 42 D CA -0.625 53.401 54.000 0.044 0.000 0.955 42 D CB 1.215 42.165 40.800 0.250 0.000 1.442 42 D HN 0.530 nan 8.370 nan 0.000 0.471 43 R N 0.488 121.052 120.500 0.107 0.000 2.170 43 R HA -0.131 4.197 4.340 -0.020 0.000 0.242 43 R C 0.664 177.034 176.300 0.116 0.000 1.145 43 R CA 1.254 57.449 56.100 0.158 0.000 0.984 43 R CB -0.620 29.790 30.300 0.184 0.000 0.869 43 R HN 0.278 nan 8.270 nan 0.000 0.455 44 N N 0.893 119.639 118.700 0.077 0.000 2.331 44 N HA -0.071 4.657 4.740 -0.020 0.000 0.180 44 N C 1.529 177.055 175.510 0.027 0.000 1.019 44 N CA 1.753 54.836 53.050 0.054 0.000 0.881 44 N CB 0.475 38.989 38.487 0.046 0.000 0.972 44 N HN 0.410 nan 8.380 nan 0.000 0.435 45 V N -3.115 116.798 119.914 -0.002 0.000 3.432 45 V HA 0.537 4.645 4.120 -0.020 0.000 0.298 45 V C 0.632 176.669 176.094 -0.096 0.000 1.464 45 V CA -0.639 61.642 62.300 -0.032 0.000 1.046 45 V CB -0.195 31.613 31.823 -0.026 0.000 0.887 45 V HN 0.034 nan 8.190 nan 0.000 0.441 46 A N 2.290 125.011 122.820 -0.164 0.000 2.488 46 A HA 0.560 4.868 4.320 -0.020 0.000 0.249 46 A C 0.792 178.154 177.584 -0.371 0.000 1.083 46 A CA 0.824 52.625 52.037 -0.393 0.000 0.768 46 A CB -0.154 18.394 19.000 -0.753 0.000 1.017 46 A HN 0.855 nan 8.150 nan 0.000 0.496 47 T N 0.684 115.053 114.554 -0.308 0.000 2.902 47 T HA 0.518 4.856 4.350 -0.020 0.000 0.280 47 T C -1.934 172.697 174.700 -0.115 0.000 0.992 47 T CA -1.662 60.351 62.100 -0.146 0.000 1.015 47 T CB 1.098 69.916 68.868 -0.084 0.000 1.044 47 T HN 0.278 nan 8.240 nan 0.000 0.520 48 P HA -0.092 nan 4.420 nan 0.000 0.216 48 P C 1.628 179.061 177.300 0.221 0.000 1.153 48 P CA 1.013 64.250 63.100 0.227 0.000 0.858 48 P CB 0.025 31.821 31.700 0.159 0.000 0.789 49 R N -0.093 120.486 120.500 0.131 0.000 2.096 49 R HA -0.149 4.179 4.340 -0.020 0.000 0.235 49 R C 1.745 178.239 176.300 0.323 0.000 1.127 49 R CA 1.688 57.923 56.100 0.226 0.000 0.968 49 R CB -0.703 29.630 30.300 0.055 0.000 0.861 49 R HN 0.093 nan 8.270 nan 0.000 0.440 50 D N -0.404 120.040 120.400 0.073 0.000 2.117 50 D HA -0.191 4.437 4.640 -0.020 0.000 0.197 50 D C 1.653 177.973 176.300 0.033 0.000 0.987 50 D CA 1.326 55.301 54.000 -0.042 0.000 0.829 50 D CB -0.240 40.382 40.800 -0.297 0.000 0.961 50 D HN 0.294 nan 8.370 nan 0.000 0.460 51 Y N -0.053 120.331 120.300 0.139 0.000 2.242 51 Y HA -0.199 4.339 4.550 -0.020 0.000 0.291 51 Y C 2.264 178.308 175.900 0.240 0.000 1.137 51 Y CA 0.380 58.606 58.100 0.210 0.000 1.181 51 Y CB -0.996 37.635 38.460 0.285 0.000 0.989 51 Y HN 0.102 nan 8.280 nan 0.000 0.527 52 Y N -0.627 119.849 120.300 0.293 0.000 2.181 52 Y HA -0.258 4.280 4.550 -0.020 0.000 0.288 52 Y C 1.908 177.824 175.900 0.025 0.000 1.146 52 Y CA 1.121 59.305 58.100 0.141 0.000 1.164 52 Y CB -1.143 37.339 38.460 0.037 0.000 0.982 52 Y HN 0.039 nan 8.280 nan 0.000 0.515 53 F N 0.344 120.005 119.950 -0.481 0.000 2.134 53 F HA -0.116 4.399 4.527 -0.020 0.000 0.299 53 F C 2.677 178.283 175.800 -0.323 0.000 1.097 53 F CA 1.537 59.198 58.000 -0.564 0.000 1.264 53 F CB -1.015 37.856 39.000 -0.216 0.000 1.001 53 F HN 0.194 nan 8.300 nan 0.000 0.479 54 A N 0.018 122.799 122.820 -0.065 0.000 1.865 54 A HA -0.226 4.082 4.320 -0.020 0.000 0.217 54 A C 2.111 179.596 177.584 -0.166 0.000 1.191 54 A CA 1.908 53.779 52.037 -0.276 0.000 0.623 54 A CB -1.216 17.246 19.000 -0.898 0.000 0.826 54 A HN 0.360 nan 8.150 nan 0.000 0.444 55 L N -0.239 121.036 121.223 0.087 0.000 2.017 55 L HA -0.074 4.254 4.340 -0.020 0.000 0.208 55 L C 2.664 179.522 176.870 -0.020 0.000 1.073 55 L CA 2.389 57.379 54.840 0.250 0.000 0.745 55 L CB -0.911 41.336 42.059 0.314 0.000 0.894 55 L HN 0.354 nan 8.230 nan 0.000 0.432 56 A N -1.359 121.273 122.820 -0.313 0.000 1.908 56 A HA -0.252 4.056 4.320 -0.020 0.000 0.218 56 A C 2.233 179.448 177.584 -0.615 0.000 1.181 56 A CA 1.822 53.554 52.037 -0.509 0.000 0.627 56 A CB -0.994 17.374 19.000 -1.054 0.000 0.818 56 A HN 0.703 nan 8.150 nan 0.000 0.445 57 H N -0.382 118.360 119.070 -0.547 0.000 2.357 57 H HA -0.079 4.465 4.556 -0.020 0.000 0.301 57 H C 2.366 177.378 175.328 -0.527 0.000 1.082 57 H CA 1.908 57.551 56.048 -0.675 0.000 1.342 57 H CB -0.668 28.436 29.762 -1.096 0.000 1.389 57 H HN 0.481 nan 8.280 nan 0.000 0.511 58 T N 0.878 115.293 114.554 -0.232 0.000 2.684 58 T HA -0.109 4.229 4.350 -0.020 0.000 0.267 58 T C 2.438 177.263 174.700 0.209 0.000 1.036 58 T CA 1.389 63.553 62.100 0.107 0.000 1.148 58 T CB -0.495 68.526 68.868 0.254 0.000 0.863 58 T HN 0.077 nan 8.240 nan 0.000 0.436 59 V N 1.559 121.587 119.914 0.189 0.000 2.358 59 V HA -0.137 3.971 4.120 -0.020 0.000 0.246 59 V C 2.665 178.941 176.094 0.304 0.000 1.047 59 V CA 1.607 64.081 62.300 0.290 0.000 1.035 59 V CB -0.631 31.354 31.823 0.269 0.000 0.658 59 V HN 0.380 nan 8.190 nan 0.000 0.452 60 R N 0.153 120.773 120.500 0.201 0.000 2.120 60 R HA -0.206 4.122 4.340 -0.020 0.000 0.234 60 R C 1.902 178.322 176.300 0.199 0.000 1.123 60 R CA 1.918 58.158 56.100 0.232 0.000 0.975 60 R CB -0.454 29.843 30.300 -0.004 0.000 0.866 60 R HN 0.490 nan 8.270 nan 0.000 0.446 61 D N -0.132 120.353 120.400 0.141 0.000 2.182 61 D HA -0.168 4.460 4.640 -0.020 0.000 0.201 61 D C 1.680 178.005 176.300 0.041 0.000 0.986 61 D CA 1.067 55.122 54.000 0.092 0.000 0.847 61 D CB -0.330 40.503 40.800 0.055 0.000 0.942 61 D HN 0.448 nan 8.370 nan 0.000 0.467 62 H N -0.487 118.657 119.070 0.123 0.000 2.524 62 H HA -0.021 4.524 4.556 -0.020 0.000 0.282 62 H C 1.859 177.241 175.328 0.091 0.000 1.016 62 H CA 0.299 56.403 56.048 0.093 0.000 1.270 62 H CB 0.343 30.149 29.762 0.073 0.000 1.394 62 H HN 0.104 nan 8.280 nan 0.000 0.568 63 L N 0.202 121.558 121.223 0.221 0.000 2.131 63 L HA -0.091 4.237 4.340 -0.020 0.000 0.206 63 L C 2.563 179.582 176.870 0.248 0.000 1.087 63 L CA 0.788 55.732 54.840 0.174 0.000 0.767 63 L CB -0.809 41.331 42.059 0.136 0.000 0.917 63 L HN -0.015 nan 8.230 nan 0.000 0.441 64 V N 0.047 120.129 119.914 0.280 0.000 2.231 64 V HA -0.318 3.790 4.120 -0.020 0.000 0.250 64 V C 2.602 178.812 176.094 0.195 0.000 1.058 64 V CA 2.082 64.553 62.300 0.286 0.000 1.022 64 V CB -1.778 30.152 31.823 0.178 0.000 0.640 64 V HN 0.543 nan 8.190 nan 0.000 0.445 65 G N -0.392 108.482 108.800 0.124 0.000 2.476 65 G HA2 -0.293 3.655 3.960 -0.020 0.000 0.218 65 G HA3 -0.293 3.655 3.960 -0.020 0.000 0.218 65 G C 1.748 176.703 174.900 0.091 0.000 1.164 65 G CA 1.185 46.334 45.100 0.082 0.000 0.768 65 G HN 0.482 nan 8.290 nan 0.000 0.560 66 R N -1.465 119.101 120.500 0.110 0.000 2.075 66 R HA -0.040 4.288 4.340 -0.020 0.000 0.232 66 R C 2.257 178.648 176.300 0.151 0.000 1.126 66 R CA 1.130 57.281 56.100 0.086 0.000 0.963 66 R CB -0.442 29.892 30.300 0.057 0.000 0.858 66 R HN 0.471 nan 8.270 nan 0.000 0.435 67 W N 1.559 122.851 121.300 -0.013 0.000 2.335 67 W HA -0.134 4.515 4.660 -0.020 0.000 0.311 67 W C 1.688 178.193 176.519 -0.023 0.000 1.213 67 W CA 1.203 58.539 57.345 -0.014 0.000 1.274 67 W CB -0.620 28.850 29.460 0.016 0.000 1.148 67 W HN 0.012 nan 8.180 nan 0.000 0.498 68 I N 0.031 120.677 120.570 0.127 0.000 2.252 68 I HA -0.291 3.867 4.170 -0.020 0.000 0.245 68 I C 2.481 178.603 176.117 0.010 0.000 1.102 68 I CA 1.295 62.585 61.300 -0.018 0.000 1.385 68 I CB -0.552 37.426 38.000 -0.036 0.000 1.064 68 I HN -0.194 nan 8.210 nan 0.000 0.414 69 R N 0.403 120.921 120.500 0.029 0.000 2.096 69 R HA -0.118 4.210 4.340 -0.020 0.000 0.235 69 R C 2.305 178.591 176.300 -0.023 0.000 1.127 69 R CA 1.727 57.834 56.100 0.011 0.000 0.968 69 R CB -0.873 29.429 30.300 0.004 0.000 0.861 69 R HN 0.281 nan 8.270 nan 0.000 0.440 70 T N 0.563 115.082 114.554 -0.059 0.000 2.737 70 T HA -0.098 4.240 4.350 -0.020 0.000 0.265 70 T C 1.558 176.022 174.700 -0.394 0.000 1.038 70 T CA 1.003 62.958 62.100 -0.240 0.000 1.144 70 T CB -0.084 68.671 68.868 -0.188 0.000 0.866 70 T HN 0.169 nan 8.240 nan 0.000 0.434 71 Q N 1.080 120.805 119.800 -0.126 0.000 2.119 71 Q HA -0.027 4.301 4.340 -0.020 0.000 0.201 71 Q C 2.347 178.393 176.000 0.076 0.000 0.972 71 Q CA 1.246 57.054 55.803 0.009 0.000 0.847 71 Q CB -0.423 28.375 28.738 0.100 0.000 0.903 71 Q HN 0.603 nan 8.270 nan 0.000 0.433 72 Q N -0.386 119.447 119.800 0.054 0.000 2.050 72 Q HA -0.190 4.138 4.340 -0.020 0.000 0.202 72 Q C 2.169 178.264 176.000 0.157 0.000 0.980 72 Q CA 1.308 57.181 55.803 0.117 0.000 0.840 72 Q CB -0.201 28.583 28.738 0.077 0.000 0.898 72 Q HN 0.531 nan 8.270 nan 0.000 0.424 73 H N -0.722 118.331 119.070 -0.028 0.000 2.289 73 H HA -0.204 4.340 4.556 -0.020 0.000 0.296 73 H C 1.606 176.994 175.328 0.101 0.000 1.091 73 H CA 1.918 57.952 56.048 -0.024 0.000 1.274 73 H CB 0.040 29.714 29.762 -0.147 0.000 1.364 73 H HN 0.324 nan 8.280 nan 0.000 0.490 74 Y N -0.451 119.911 120.300 0.104 0.000 2.274 74 Y HA -0.213 4.325 4.550 -0.020 0.000 0.290 74 Y C 2.602 178.548 175.900 0.077 0.000 1.145 74 Y CA 0.874 59.012 58.100 0.062 0.000 1.203 74 Y CB -1.331 37.244 38.460 0.191 0.000 0.984 74 Y HN 0.334 nan 8.280 nan 0.000 0.533 75 Y N 1.170 121.569 120.300 0.165 0.000 2.133 75 Y HA -0.166 4.372 4.550 -0.020 0.000 0.287 75 Y C 2.163 178.085 175.900 0.035 0.000 1.134 75 Y CA 1.679 59.840 58.100 0.103 0.000 1.133 75 Y CB -0.248 38.266 38.460 0.089 0.000 0.987 75 Y HN -0.062 nan 8.280 nan 0.000 0.502 76 E N 0.893 121.071 120.200 -0.038 0.000 2.005 76 E HA -0.202 4.136 4.350 -0.020 0.000 0.198 76 E C 2.108 178.596 176.600 -0.187 0.000 1.010 76 E CA 1.916 58.229 56.400 -0.145 0.000 0.825 76 E CB -0.437 29.238 29.700 -0.041 0.000 0.769 76 E HN 0.461 nan 8.360 nan 0.000 0.456 77 K N 0.272 120.556 120.400 -0.194 0.000 2.097 77 K HA -0.139 4.169 4.320 -0.020 0.000 0.206 77 K C 0.221 176.753 176.600 -0.113 0.000 1.049 77 K CA 1.002 57.184 56.287 -0.175 0.000 0.933 77 K CB -0.209 32.120 32.500 -0.284 0.000 0.717 77 K HN 0.111 nan 8.250 nan 0.000 0.442 78 D N 0.519 120.872 120.400 -0.079 0.000 2.760 78 D HA -0.082 4.546 4.640 -0.020 0.000 0.244 78 D C -2.373 173.909 176.300 -0.029 0.000 1.123 78 D CA 0.082 54.054 54.000 -0.047 0.000 0.719 78 D CB -0.276 40.463 40.800 -0.100 0.000 1.045 78 D HN 0.187 nan 8.370 nan 0.000 0.426 79 P HA 0.133 nan 4.420 nan 0.000 0.277 79 P C -0.074 177.194 177.300 -0.055 0.000 1.271 79 P CA -0.587 62.490 63.100 -0.038 0.000 0.795 79 P CB 0.601 32.270 31.700 -0.051 0.000 1.101 80 K N 1.020 121.385 120.400 -0.058 0.000 2.382 80 K HA 0.074 4.382 4.320 -0.020 0.000 0.275 80 K C 0.039 176.552 176.600 -0.146 0.000 1.009 80 K CA -0.231 56.011 56.287 -0.074 0.000 0.970 80 K CB 0.384 32.853 32.500 -0.050 0.000 0.934 80 K HN 0.278 nan 8.250 nan 0.000 0.479 81 R N 4.226 124.610 120.500 -0.192 0.000 2.474 81 R HA 0.397 4.725 4.340 -0.020 0.000 0.295 81 R C -0.360 175.583 176.300 -0.597 0.000 0.980 81 R CA -0.760 55.124 56.100 -0.359 0.000 0.934 81 R CB 0.634 30.727 30.300 -0.346 0.000 1.101 81 R HN 0.583 nan 8.270 nan 0.000 0.469 82 I N 2.947 123.126 120.570 -0.652 0.000 2.339 82 I HA 0.258 4.416 4.170 -0.020 0.000 0.290 82 I C -0.769 174.974 176.117 -0.624 0.000 0.994 82 I CA -0.718 60.153 61.300 -0.716 0.000 1.191 82 I CB 0.840 38.317 38.000 -0.872 0.000 1.343 82 I HN 0.343 nan 8.210 nan 0.000 0.458 83 Y N 5.867 126.126 120.300 -0.069 0.000 2.334 83 Y HA 0.313 4.851 4.550 -0.020 0.000 0.336 83 Y C -0.599 175.394 175.900 0.154 0.000 0.960 83 Y CA -0.800 57.391 58.100 0.152 0.000 1.164 83 Y CB 0.841 39.379 38.460 0.129 0.000 1.155 83 Y HN 0.394 nan 8.280 nan 0.000 0.478 84 Y N 4.570 125.059 120.300 0.314 0.000 2.594 84 Y HA 0.459 4.998 4.550 -0.020 0.000 0.342 84 Y C -1.127 175.040 175.900 0.445 0.000 1.010 84 Y CA -0.944 57.345 58.100 0.315 0.000 1.270 84 Y CB 0.163 38.814 38.460 0.317 0.000 1.125 84 Y HN 0.542 nan 8.280 nan 0.000 0.513 85 L N 4.766 126.032 121.223 0.072 0.000 2.290 85 L HA 0.485 4.813 4.340 -0.020 0.000 0.284 85 L C -0.140 176.757 176.870 0.045 0.000 1.078 85 L CA 0.199 55.146 54.840 0.179 0.000 0.815 85 L CB 1.266 43.399 42.059 0.123 0.000 1.162 85 L HN 0.590 nan 8.230 nan 0.000 0.435 86 S N 2.829 118.651 115.700 0.204 0.000 2.537 86 S HA 0.459 4.917 4.470 -0.020 0.000 0.271 86 S C -0.073 174.656 174.600 0.214 0.000 1.148 86 S CA -0.593 57.649 58.200 0.070 0.000 0.868 86 S CB 0.895 63.954 63.200 -0.234 0.000 1.115 86 S HN 0.446 nan 8.310 nan 0.000 0.461 87 L N 2.601 123.980 121.223 0.260 0.000 2.612 87 L HA 0.481 4.809 4.340 -0.020 0.000 0.230 87 L C 0.155 177.250 176.870 0.376 0.000 1.140 87 L CA 0.749 55.800 54.840 0.352 0.000 0.896 87 L CB -0.180 42.089 42.059 0.349 0.000 1.065 87 L HN 0.664 nan 8.230 nan 0.000 0.447 88 E N -1.259 119.045 120.200 0.173 0.000 2.343 88 E HA 0.402 4.740 4.350 -0.020 0.000 0.278 88 E C -1.398 175.121 176.600 -0.134 0.000 0.910 88 E CA -0.533 55.948 56.400 0.136 0.000 0.757 88 E CB 1.962 31.697 29.700 0.058 0.000 1.218 88 E HN -0.192 nan 8.360 nan 0.000 0.435 89 F N 1.764 121.827 119.950 0.188 0.000 3.090 89 F HA 0.153 4.668 4.527 -0.020 0.000 0.381 89 F C -0.966 174.920 175.800 0.143 0.000 1.231 89 F CA -0.690 57.411 58.000 0.168 0.000 1.177 89 F CB 0.865 39.961 39.000 0.161 0.000 1.598 89 F HN 0.482 nan 8.300 nan 0.000 0.589 90 Y N 4.927 125.301 120.300 0.123 0.000 2.530 90 Y HA 0.166 4.705 4.550 -0.020 0.000 0.340 90 Y C 1.108 177.025 175.900 0.028 0.000 1.247 90 Y CA -0.666 57.455 58.100 0.035 0.000 1.727 90 Y CB 0.291 38.758 38.460 0.012 0.000 1.613 90 Y HN 0.492 nan 8.280 nan 0.000 0.464 91 M N 1.349 121.065 119.600 0.194 0.000 2.506 91 M HA 0.140 4.608 4.480 -0.020 0.000 0.260 91 M C 1.511 177.779 176.300 -0.054 0.000 1.104 91 M CA 0.865 56.195 55.300 0.051 0.000 1.112 91 M CB -1.085 31.527 32.600 0.021 0.000 1.401 91 M HN 0.660 nan 8.290 nan 0.000 0.473 92 G N 1.780 110.556 108.800 -0.041 0.000 2.641 92 G HA2 -0.282 3.666 3.960 -0.020 0.000 0.254 92 G HA3 -0.282 3.666 3.960 -0.020 0.000 0.254 92 G C -0.280 174.559 174.900 -0.101 0.000 1.315 92 G CA -0.348 44.687 45.100 -0.108 0.000 0.907 92 G HN 0.476 nan 8.290 nan 0.000 0.572 93 R N -0.889 119.537 120.500 -0.123 0.000 2.679 93 R HA 0.507 4.835 4.340 -0.020 0.000 0.269 93 R C 1.188 177.361 176.300 -0.211 0.000 1.076 93 R CA 0.395 56.432 56.100 -0.104 0.000 1.160 93 R CB 0.438 30.687 30.300 -0.086 0.000 1.054 93 R HN 0.543 nan 8.270 nan 0.000 0.507 94 T N 0.929 115.305 114.554 -0.297 0.000 2.978 94 T HA -0.014 4.324 4.350 -0.020 0.000 0.248 94 T C 1.503 175.827 174.700 -0.626 0.000 1.018 94 T CA -0.190 61.515 62.100 -0.657 0.000 1.026 94 T CB 0.077 68.100 68.868 -1.409 0.000 1.032 94 T HN 0.320 nan 8.240 nan 0.000 0.485 95 L N 2.015 123.113 121.223 -0.209 0.000 1.963 95 L HA -0.141 4.187 4.340 -0.020 0.000 0.220 95 L C 2.452 179.298 176.870 -0.041 0.000 1.076 95 L CA 2.019 56.904 54.840 0.075 0.000 0.772 95 L CB -0.726 41.549 42.059 0.360 0.000 0.892 95 L HN 0.179 nan 8.230 nan 0.000 0.435 96 Q N -0.939 118.830 119.800 -0.053 0.000 2.084 96 Q HA -0.268 4.060 4.340 -0.020 0.000 0.202 96 Q C 2.153 178.084 176.000 -0.115 0.000 0.978 96 Q CA 2.016 57.779 55.803 -0.067 0.000 0.844 96 Q CB -0.195 28.498 28.738 -0.075 0.000 0.898 96 Q HN 0.669 nan 8.270 nan 0.000 0.426 97 N N -0.704 117.887 118.700 -0.181 0.000 2.166 97 N HA -0.125 4.603 4.740 -0.020 0.000 0.186 97 N C 1.510 176.911 175.510 -0.182 0.000 1.019 97 N CA 2.031 54.964 53.050 -0.194 0.000 0.856 97 N CB -0.111 38.225 38.487 -0.252 0.000 0.993 97 N HN 0.101 nan 8.380 nan 0.000 0.426 98 T N 0.304 114.711 114.554 -0.246 0.000 2.737 98 T HA -0.068 4.270 4.350 -0.020 0.000 0.265 98 T C 1.920 176.555 174.700 -0.108 0.000 1.038 98 T CA 1.230 63.202 62.100 -0.214 0.000 1.144 98 T CB -0.183 68.505 68.868 -0.301 0.000 0.866 98 T HN 0.245 nan 8.240 nan 0.000 0.434 99 M N 0.522 120.079 119.600 -0.072 0.000 2.080 99 M HA -0.110 4.358 4.480 -0.020 0.000 0.260 99 M C 2.472 178.736 176.300 -0.060 0.000 1.068 99 M CA 1.331 56.601 55.300 -0.049 0.000 1.109 99 M CB -0.636 31.953 32.600 -0.019 0.000 1.342 99 M HN 0.101 nan 8.290 nan 0.000 0.405 100 V N 0.948 120.833 119.914 -0.048 0.000 2.255 100 V HA -0.311 3.797 4.120 -0.020 0.000 0.247 100 V C 1.879 177.972 176.094 -0.002 0.000 1.051 100 V CA 1.980 64.275 62.300 -0.008 0.000 1.018 100 V CB -0.861 30.966 31.823 0.006 0.000 0.641 100 V HN 0.531 nan 8.190 nan 0.000 0.445 101 N N -0.374 118.318 118.700 -0.013 0.000 2.453 101 N HA -0.100 4.628 4.740 -0.020 0.000 0.183 101 N C 1.195 176.592 175.510 -0.189 0.000 1.041 101 N CA 0.856 53.871 53.050 -0.057 0.000 0.900 101 N CB 0.067 38.541 38.487 -0.021 0.000 0.961 101 N HN 0.286 nan 8.380 nan 0.000 0.443 102 L N 0.098 121.234 121.223 -0.145 0.000 2.640 102 L HA 0.294 4.622 4.340 -0.020 0.000 0.230 102 L C 0.845 177.619 176.870 -0.160 0.000 1.123 102 L CA 0.038 54.792 54.840 -0.144 0.000 0.900 102 L CB -0.343 41.656 42.059 -0.100 0.000 1.146 102 L HN 0.041 nan 8.230 nan 0.000 0.484 103 A N -0.494 122.231 122.820 -0.159 0.000 2.930 103 A HA -0.220 4.088 4.320 -0.020 0.000 0.273 103 A C 1.101 178.616 177.584 -0.115 0.000 1.435 103 A CA 1.197 53.152 52.037 -0.135 0.000 0.780 103 A CB -2.066 16.840 19.000 -0.155 0.000 1.034 103 A HN 0.316 nan 8.150 nan 0.000 0.562 104 L N -1.438 119.717 121.223 -0.115 0.000 2.766 104 L HA 0.171 4.499 4.340 -0.020 0.000 0.242 104 L C 1.890 178.717 176.870 -0.072 0.000 1.136 104 L CA 0.730 55.496 54.840 -0.124 0.000 0.933 104 L CB 0.091 42.035 42.059 -0.191 0.000 1.241 104 L HN 0.633 nan 8.230 nan 0.000 0.522 105 E N 1.260 121.429 120.200 -0.052 0.000 2.097 105 E HA -0.263 4.075 4.350 -0.020 0.000 0.196 105 E C 1.659 178.245 176.600 -0.024 0.000 1.000 105 E CA 1.924 58.307 56.400 -0.028 0.000 0.804 105 E CB 0.107 29.793 29.700 -0.022 0.000 0.740 105 E HN 0.537 nan 8.360 nan 0.000 0.454 106 N N -0.734 117.947 118.700 -0.031 0.000 2.171 106 N HA -0.100 4.628 4.740 -0.020 0.000 0.184 106 N C 1.803 177.295 175.510 -0.030 0.000 1.021 106 N CA 0.705 53.737 53.050 -0.030 0.000 0.854 106 N CB -0.096 38.371 38.487 -0.033 0.000 0.994 106 N HN 0.181 nan 8.380 nan 0.000 0.426 107 A N 0.621 123.420 122.820 -0.035 0.000 1.877 107 A HA -0.157 4.151 4.320 -0.020 0.000 0.216 107 A C 2.431 180.005 177.584 -0.016 0.000 1.186 107 A CA 1.086 53.107 52.037 -0.027 0.000 0.620 107 A CB -0.953 18.023 19.000 -0.039 0.000 0.822 107 A HN 0.462 nan 8.150 nan 0.000 0.443 108 C N -0.791 118.500 119.300 -0.015 0.000 2.425 108 C HA -0.082 4.366 4.460 -0.020 0.000 0.277 108 C C 2.458 177.446 174.990 -0.004 0.000 1.280 108 C CA 1.186 60.206 59.018 0.002 0.000 1.744 108 C CB -1.175 26.577 27.740 0.020 0.000 1.989 108 C HN 0.695 nan 8.230 nan 0.000 0.491 109 D N 0.515 120.914 120.400 -0.001 0.000 2.144 109 D HA -0.132 4.496 4.640 -0.020 0.000 0.199 109 D C 2.161 178.474 176.300 0.022 0.000 0.984 109 D CA 1.384 55.389 54.000 0.008 0.000 0.834 109 D CB -0.197 40.600 40.800 -0.005 0.000 0.955 109 D HN 0.459 nan 8.370 nan 0.000 0.465 110 E N 0.079 120.280 120.200 0.001 0.000 2.051 110 E HA 0.060 4.398 4.350 -0.020 0.000 0.189 110 E C 1.886 178.512 176.600 0.043 0.000 0.979 110 E CA 1.345 57.754 56.400 0.015 0.000 0.803 110 E CB -0.583 29.106 29.700 -0.018 0.000 0.761 110 E HN 0.170 nan 8.360 nan 0.000 0.451 111 A N 0.046 122.866 122.820 -0.001 0.000 1.892 111 A HA -0.230 4.078 4.320 -0.020 0.000 0.218 111 A C 2.448 179.965 177.584 -0.111 0.000 1.188 111 A CA 2.952 54.968 52.037 -0.036 0.000 0.631 111 A CB -1.500 17.482 19.000 -0.030 0.000 0.822 111 A HN 0.494 nan 8.150 nan 0.000 0.447 112 T N -4.117 110.357 114.554 -0.133 0.000 2.962 112 T HA -0.141 4.197 4.350 -0.020 0.000 0.270 112 T C 1.732 176.343 174.700 -0.149 0.000 1.088 112 T CA 1.396 63.351 62.100 -0.242 0.000 1.127 112 T CB -0.436 68.321 68.868 -0.184 0.000 0.883 112 T HN 0.463 nan 8.240 nan 0.000 0.493 113 Y N 2.148 122.364 120.300 -0.139 0.000 2.184 113 Y HA 0.005 4.543 4.550 -0.019 0.000 0.290 113 Y C 2.699 178.538 175.900 -0.102 0.000 1.129 113 Y CA 1.313 59.352 58.100 -0.102 0.000 1.144 113 Y CB -0.299 38.121 38.460 -0.068 0.000 0.995 113 Y HN 0.199 nan 8.280 nan 0.000 0.513 114 Q N -0.180 119.646 119.800 0.044 0.000 2.291 114 Q HA -0.110 4.218 4.340 -0.020 0.000 0.206 114 Q C 1.416 177.349 176.000 -0.112 0.000 0.976 114 Q CA 1.131 56.924 55.803 -0.016 0.000 0.875 114 Q CB -0.097 28.657 28.738 0.026 0.000 0.927 114 Q HN 0.491 nan 8.270 nan 0.000 0.450 115 L N -0.272 120.844 121.223 -0.179 0.000 2.653 115 L HA 0.219 4.547 4.340 -0.020 0.000 0.232 115 L C 0.922 177.638 176.870 -0.257 0.000 1.169 115 L CA 0.010 54.721 54.840 -0.215 0.000 0.951 115 L CB -0.052 41.804 42.059 -0.339 0.000 1.181 115 L HN 0.295 nan 8.230 nan 0.000 0.460 116 G N 0.665 109.295 108.800 -0.283 0.000 2.203 116 G HA2 -0.298 3.650 3.960 -0.020 0.000 0.263 116 G HA3 -0.298 3.650 3.960 -0.020 0.000 0.263 116 G C 0.040 174.757 174.900 -0.305 0.000 1.012 116 G CA 0.343 45.257 45.100 -0.310 0.000 0.749 116 G HN 0.306 nan 8.290 nan 0.000 0.512 117 L N -0.306 120.727 121.223 -0.317 0.000 2.330 117 L HA 0.595 4.923 4.340 -0.020 0.000 0.271 117 L C -0.282 176.494 176.870 -0.158 0.000 1.013 117 L CA -1.093 53.586 54.840 -0.268 0.000 0.816 117 L CB 1.703 43.545 42.059 -0.362 0.000 1.287 117 L HN 0.058 nan 8.230 nan 0.000 0.435 118 D N 2.160 122.510 120.400 -0.083 0.000 2.443 118 D HA 0.149 4.777 4.640 -0.020 0.000 0.221 118 D C 0.707 177.020 176.300 0.022 0.000 1.097 118 D CA -0.328 53.667 54.000 -0.008 0.000 0.865 118 D CB 1.347 42.151 40.800 0.006 0.000 1.034 118 D HN 0.522 nan 8.370 nan 0.000 0.511 119 M N 3.024 122.642 119.600 0.031 0.000 2.144 119 M HA -0.197 4.271 4.480 -0.020 0.000 0.260 119 M C 1.454 177.792 176.300 0.064 0.000 1.067 119 M CA 1.687 57.019 55.300 0.053 0.000 1.095 119 M CB 0.165 32.792 32.600 0.046 0.000 1.365 119 M HN 0.397 nan 8.290 nan 0.000 0.406 120 E N -0.264 119.967 120.200 0.052 0.000 2.077 120 E HA -0.254 4.084 4.350 -0.020 0.000 0.193 120 E C 1.948 178.578 176.600 0.048 0.000 0.989 120 E CA 1.479 57.907 56.400 0.046 0.000 0.800 120 E CB -0.152 29.574 29.700 0.044 0.000 0.746 120 E HN 0.618 nan 8.360 nan 0.000 0.452 121 E N 0.492 120.723 120.200 0.052 0.000 2.077 121 E HA -0.191 4.147 4.350 -0.020 0.000 0.193 121 E C 2.191 178.828 176.600 0.061 0.000 0.989 121 E CA 0.713 57.145 56.400 0.053 0.000 0.800 121 E CB 0.043 29.773 29.700 0.051 0.000 0.746 121 E HN 0.247 nan 8.360 nan 0.000 0.452 122 L N 0.309 121.589 121.223 0.095 0.000 2.093 122 L HA -0.145 4.183 4.340 -0.020 0.000 0.208 122 L C 2.319 179.244 176.870 0.091 0.000 1.085 122 L CA 1.155 56.089 54.840 0.157 0.000 0.755 122 L CB -0.466 41.738 42.059 0.241 0.000 0.904 122 L HN 0.116 nan 8.230 nan 0.000 0.435 123 E N -0.031 120.210 120.200 0.069 0.000 2.204 123 E HA -0.182 4.156 4.350 -0.020 0.000 0.195 123 E C 1.892 178.434 176.600 -0.098 0.000 0.990 123 E CA 0.652 57.058 56.400 0.010 0.000 0.821 123 E CB 0.128 29.846 29.700 0.031 0.000 0.750 123 E HN 0.349 nan 8.360 nan 0.000 0.477 124 E N 0.225 120.389 120.200 -0.060 0.000 2.427 124 E HA -0.082 4.256 4.350 -0.020 0.000 0.196 124 E C 1.784 178.315 176.600 -0.115 0.000 1.028 124 E CA 0.376 56.744 56.400 -0.053 0.000 0.864 124 E CB 0.161 29.869 29.700 0.013 0.000 0.813 124 E HN 0.364 nan 8.360 nan 0.000 0.514 125 I N 0.632 121.067 120.570 -0.225 0.000 2.500 125 I HA -0.083 4.075 4.170 -0.020 0.000 0.252 125 I C 1.322 177.165 176.117 -0.457 0.000 1.142 125 I CA 0.352 61.481 61.300 -0.284 0.000 1.451 125 I CB -0.575 37.275 38.000 -0.249 0.000 1.093 125 I HN 0.092 nan 8.210 nan 0.000 0.430 126 E N 3.461 123.197 120.200 -0.774 0.000 2.376 126 E HA -0.004 4.334 4.350 -0.020 0.000 0.266 126 E C -0.130 176.386 176.600 -0.139 0.000 1.009 126 E CA -0.149 55.902 56.400 -0.581 0.000 0.902 126 E CB 0.589 30.003 29.700 -0.477 0.000 0.972 126 E HN 0.390 nan 8.360 nan 0.000 0.439 127 E N 3.542 123.766 120.200 0.039 0.000 2.227 127 E HA 0.248 4.586 4.350 -0.020 0.000 0.268 127 E C -0.794 175.896 176.600 0.149 0.000 0.990 127 E CA -1.042 55.427 56.400 0.115 0.000 0.856 127 E CB 0.846 30.663 29.700 0.195 0.000 1.159 127 E HN 0.326 nan 8.360 nan 0.000 0.401 128 D N 0.779 121.231 120.400 0.087 0.000 2.488 128 D HA 0.136 4.764 4.640 -0.020 0.000 0.238 128 D C -0.554 175.728 176.300 -0.030 0.000 1.138 128 D CA 0.378 54.396 54.000 0.030 0.000 0.873 128 D CB 0.806 41.611 40.800 0.008 0.000 1.183 128 D HN 0.558 nan 8.370 nan 0.000 0.458 129 A N 2.486 125.234 122.820 -0.119 0.000 2.923 129 A HA 0.471 4.779 4.320 -0.020 0.000 0.306 129 A C 1.043 178.427 177.584 -0.332 0.000 1.542 129 A CA -0.435 51.305 52.037 -0.495 0.000 1.225 129 A CB -0.231 18.606 19.000 -0.272 0.000 1.147 129 A HN 0.489 nan 8.150 nan 0.000 0.542 130 G N 1.586 110.170 108.800 -0.359 0.000 3.581 130 G HA2 0.379 4.327 3.960 -0.020 0.000 0.255 130 G HA3 0.379 4.327 3.960 -0.020 0.000 0.255 130 G C 0.339 175.026 174.900 -0.356 0.000 1.121 130 G CA -0.282 44.713 45.100 -0.175 0.000 1.739 130 G HN 0.682 nan 8.290 nan 0.000 0.646 131 L N 1.451 122.518 121.223 -0.259 0.000 2.919 131 L HA 0.379 4.707 4.340 -0.020 0.000 0.242 131 L C 0.963 177.767 176.870 -0.110 0.000 1.366 131 L CA -0.216 54.563 54.840 -0.101 0.000 1.212 131 L CB -0.548 41.602 42.059 0.152 0.000 1.604 131 L HN 0.292 nan 8.230 nan 0.000 0.433 132 G N -1.011 107.500 108.800 -0.481 0.000 2.673 132 G HA2 0.186 4.134 3.960 -0.020 0.000 0.292 132 G HA3 0.186 4.134 3.960 -0.020 0.000 0.292 132 G C -0.151 174.242 174.900 -0.844 0.000 1.450 132 G CA -0.478 44.289 45.100 -0.554 0.000 0.837 132 G HN -0.029 nan 8.290 nan 0.000 0.505 133 N N -0.675 117.787 118.700 -0.396 0.000 2.387 133 N HA 0.199 4.927 4.740 -0.020 0.000 0.176 133 N C 1.180 176.688 175.510 -0.004 0.000 1.022 133 N CA 1.323 54.250 53.050 -0.204 0.000 0.883 133 N CB 1.198 39.681 38.487 -0.008 0.000 1.019 133 N HN 0.835 nan 8.380 nan 0.000 0.435 134 G N -0.728 108.149 108.800 0.127 0.000 2.825 134 G HA2 0.204 4.152 3.960 -0.020 0.000 0.100 134 G HA3 0.204 4.152 3.960 -0.020 0.000 0.100 134 G C 0.745 175.793 174.900 0.248 0.000 1.195 134 G CA 0.226 45.512 45.100 0.310 0.000 1.317 134 G HN 0.150 nan 8.290 nan 0.000 0.632 135 G N 0.491 109.371 108.800 0.134 0.000 2.514 135 G HA2 -0.152 3.796 3.960 -0.020 0.000 0.217 135 G HA3 -0.152 3.796 3.960 -0.020 0.000 0.217 135 G C 1.916 176.816 174.900 -0.000 0.000 1.198 135 G CA 1.565 46.699 45.100 0.056 0.000 0.780 135 G HN 0.890 nan 8.290 nan 0.000 0.565 136 L N 0.686 121.875 121.223 -0.056 0.000 2.042 136 L HA 0.002 4.330 4.340 -0.020 0.000 0.210 136 L C 2.788 179.589 176.870 -0.115 0.000 1.076 136 L CA 2.106 56.817 54.840 -0.215 0.000 0.749 136 L CB -0.521 41.355 42.059 -0.306 0.000 0.893 136 L HN 0.273 nan 8.230 nan 0.000 0.432 137 G N -0.971 107.828 108.800 -0.001 0.000 2.403 137 G HA2 -0.216 3.732 3.960 -0.020 0.000 0.216 137 G HA3 -0.216 3.732 3.960 -0.020 0.000 0.216 137 G C 1.675 176.646 174.900 0.119 0.000 1.154 137 G CA 0.152 45.274 45.100 0.036 0.000 0.784 137 G HN 0.170 nan 8.290 nan 0.000 0.538 138 R N 0.146 120.754 120.500 0.180 0.000 2.092 138 R HA 0.111 4.439 4.340 -0.020 0.000 0.231 138 R C 2.458 178.763 176.300 0.008 0.000 1.119 138 R CA 0.722 56.900 56.100 0.131 0.000 0.970 138 R CB -0.988 29.357 30.300 0.075 0.000 0.864 138 R HN 0.396 nan 8.270 nan 0.000 0.440 139 L N 0.655 121.807 121.223 -0.118 0.000 2.042 139 L HA -0.104 4.224 4.340 -0.020 0.000 0.210 139 L C 2.222 178.765 176.870 -0.546 0.000 1.076 139 L CA 2.136 56.743 54.840 -0.388 0.000 0.749 139 L CB -0.658 41.135 42.059 -0.443 0.000 0.893 139 L HN 0.192 nan 8.230 nan 0.000 0.432 140 A N -0.554 122.088 122.820 -0.296 0.000 1.883 140 A HA -0.190 4.118 4.320 -0.020 0.000 0.217 140 A C 2.454 180.054 177.584 0.027 0.000 1.186 140 A CA 1.986 53.898 52.037 -0.209 0.000 0.624 140 A CB -1.228 17.617 19.000 -0.257 0.000 0.822 140 A HN 0.565 nan 8.150 nan 0.000 0.444 141 A N -1.156 121.735 122.820 0.118 0.000 1.902 141 A HA -0.184 4.124 4.320 -0.020 0.000 0.217 141 A C 2.321 179.981 177.584 0.128 0.000 1.181 141 A CA 1.726 53.872 52.037 0.182 0.000 0.623 141 A CB -1.294 17.805 19.000 0.166 0.000 0.818 141 A HN 0.605 nan 8.150 nan 0.000 0.443 142 C N -1.622 117.747 119.300 0.116 0.000 2.440 142 C HA -0.039 4.409 4.460 -0.020 0.000 0.278 142 C C 2.413 177.570 174.990 0.280 0.000 1.295 142 C CA 0.561 59.691 59.018 0.187 0.000 1.738 142 C CB -1.579 26.288 27.740 0.211 0.000 1.987 142 C HN 0.611 nan 8.230 nan 0.000 0.492 143 F N 0.344 120.277 119.950 -0.028 0.000 2.186 143 F HA -0.049 4.466 4.527 -0.020 0.000 0.299 143 F C 2.090 177.837 175.800 -0.088 0.000 1.090 143 F CA 0.968 58.901 58.000 -0.111 0.000 1.307 143 F CB -1.285 37.501 39.000 -0.357 0.000 1.019 143 F HN 0.094 nan 8.300 nan 0.000 0.489 144 L N 0.323 121.633 121.223 0.146 0.000 1.994 144 L HA -0.227 4.101 4.340 -0.020 0.000 0.208 144 L C 2.431 179.324 176.870 0.038 0.000 1.071 144 L CA 1.907 56.792 54.840 0.076 0.000 0.745 144 L CB -1.253 40.859 42.059 0.089 0.000 0.892 144 L HN 0.151 nan 8.230 nan 0.000 0.431 145 D N -1.307 119.121 120.400 0.048 0.000 2.149 145 D HA -0.174 4.454 4.640 -0.020 0.000 0.198 145 D C 1.907 178.230 176.300 0.038 0.000 0.990 145 D CA 1.509 55.522 54.000 0.022 0.000 0.839 145 D CB 0.436 41.246 40.800 0.016 0.000 0.948 145 D HN 0.304 nan 8.370 nan 0.000 0.460 146 S N -0.391 115.350 115.700 0.067 0.000 2.387 146 S HA -0.005 4.453 4.470 -0.020 0.000 0.226 146 S C 2.101 176.719 174.600 0.031 0.000 1.026 146 S CA 0.518 58.750 58.200 0.054 0.000 0.972 146 S CB -0.019 63.222 63.200 0.068 0.000 0.814 146 S HN 0.333 nan 8.310 nan 0.000 0.477 147 M N 0.960 120.572 119.600 0.020 0.000 2.175 147 M HA -0.070 4.398 4.480 -0.020 0.000 0.264 147 M C 2.413 178.718 176.300 0.009 0.000 1.063 147 M CA 1.264 56.572 55.300 0.013 0.000 1.119 147 M CB -0.507 32.084 32.600 -0.015 0.000 1.377 147 M HN 0.386 nan 8.290 nan 0.000 0.415 148 A N 0.119 122.941 122.820 0.003 0.000 1.855 148 A HA -0.132 4.176 4.320 -0.020 0.000 0.215 148 A C 2.159 179.757 177.584 0.024 0.000 1.191 148 A CA 2.146 54.186 52.037 0.004 0.000 0.613 148 A CB -1.219 17.768 19.000 -0.022 0.000 0.829 148 A HN 0.410 nan 8.150 nan 0.000 0.442 149 T N -0.071 114.502 114.554 0.033 0.000 2.849 149 T HA -0.094 4.244 4.350 -0.020 0.000 0.270 149 T C 1.223 175.952 174.700 0.048 0.000 1.066 149 T CA 1.328 63.460 62.100 0.054 0.000 1.130 149 T CB -0.209 68.699 68.868 0.068 0.000 0.864 149 T HN 0.161 nan 8.240 nan 0.000 0.481 150 L N 0.281 121.530 121.223 0.043 0.000 2.611 150 L HA 0.387 4.715 4.340 -0.020 0.000 0.229 150 L C 1.629 178.530 176.870 0.051 0.000 1.137 150 L CA 0.305 55.172 54.840 0.045 0.000 0.901 150 L CB -0.668 41.419 42.059 0.045 0.000 1.098 150 L HN 0.381 nan 8.230 nan 0.000 0.456 151 G N 0.245 109.078 108.800 0.055 0.000 2.273 151 G HA2 -0.277 3.671 3.960 -0.020 0.000 0.280 151 G HA3 -0.277 3.671 3.960 -0.020 0.000 0.280 151 G C 0.191 175.142 174.900 0.086 0.000 1.047 151 G CA 0.226 45.376 45.100 0.082 0.000 0.869 151 G HN 0.275 nan 8.290 nan 0.000 0.502 152 L N -0.221 121.024 121.223 0.036 0.000 2.325 152 L HA 0.647 4.975 4.340 -0.020 0.000 0.279 152 L C 1.109 177.852 176.870 -0.212 0.000 1.054 152 L CA -0.515 54.297 54.840 -0.046 0.000 0.804 152 L CB 1.767 43.812 42.059 -0.025 0.000 1.200 152 L HN 0.268 nan 8.230 nan 0.000 0.436 153 A N 3.038 125.588 122.820 -0.450 0.000 2.906 153 A HA 0.571 4.879 4.320 -0.020 0.000 0.289 153 A C 0.240 177.470 177.584 -0.591 0.000 1.675 153 A CA -0.151 51.301 52.037 -0.974 0.000 1.372 153 A CB -0.581 17.820 19.000 -0.998 0.000 1.091 153 A HN 0.704 nan 8.150 nan 0.000 0.579 154 A N 1.916 124.420 122.820 -0.528 0.000 2.350 154 A HA 0.779 5.087 4.320 -0.020 0.000 0.324 154 A C -1.203 176.107 177.584 -0.458 0.000 1.118 154 A CA -0.450 51.356 52.037 -0.386 0.000 0.783 154 A CB 0.825 19.675 19.000 -0.249 0.000 1.236 154 A HN 0.605 nan 8.150 nan 0.000 0.457 155 Y N 0.507 120.763 120.300 -0.074 0.000 2.361 155 Y HA 0.545 5.084 4.550 -0.020 0.000 0.337 155 Y C 0.828 176.805 175.900 0.128 0.000 0.965 155 Y CA -0.656 57.462 58.100 0.029 0.000 1.091 155 Y CB 2.271 40.834 38.460 0.171 0.000 1.182 155 Y HN 0.819 nan 8.280 nan 0.000 0.450 156 G N 2.428 111.302 108.800 0.122 0.000 2.325 156 G HA2 0.427 4.375 3.960 -0.020 0.000 0.298 156 G HA3 0.427 4.375 3.960 -0.020 0.000 0.298 156 G C -1.672 173.243 174.900 0.024 0.000 1.134 156 G CA -0.259 44.969 45.100 0.214 0.000 0.876 156 G HN 0.503 nan 8.290 nan 0.000 0.452 157 Y N 1.367 121.891 120.300 0.375 0.000 2.328 157 Y HA 0.622 5.160 4.550 -0.020 0.000 0.336 157 Y C 0.793 176.976 175.900 0.472 0.000 0.960 157 Y CA 0.159 58.434 58.100 0.292 0.000 1.134 157 Y CB 2.537 41.190 38.460 0.321 0.000 1.166 157 Y HN 0.828 nan 8.280 nan 0.000 0.464 158 G N 2.430 111.532 108.800 0.503 0.000 2.846 158 G HA2 0.618 4.566 3.960 -0.020 0.000 0.299 158 G HA3 0.618 4.566 3.960 -0.020 0.000 0.299 158 G C -1.647 173.501 174.900 0.414 0.000 1.242 158 G CA -0.812 44.637 45.100 0.582 0.000 0.800 158 G HN 0.418 nan 8.290 nan 0.000 0.538 159 I N 0.556 121.281 120.570 0.257 0.000 2.474 159 I HA 0.418 4.575 4.170 -0.020 0.000 0.294 159 I C 0.169 176.238 176.117 -0.080 0.000 1.005 159 I CA -0.730 60.609 61.300 0.066 0.000 1.113 159 I CB 2.245 40.059 38.000 -0.311 0.000 1.289 159 I HN 0.392 nan 8.210 nan 0.000 0.436 160 R N 6.176 126.710 120.500 0.056 0.000 2.608 160 R HA 0.236 4.564 4.340 -0.020 0.000 0.277 160 R C -1.328 175.042 176.300 0.116 0.000 1.341 160 R CA -0.366 55.794 56.100 0.100 0.000 1.199 160 R CB -0.030 30.272 30.300 0.004 0.000 1.156 160 R HN 0.380 nan 8.270 nan 0.000 0.558 161 Y N 1.667 122.146 120.300 0.298 0.000 2.442 161 Y HA -0.044 4.493 4.550 -0.020 0.000 0.330 161 Y C 1.533 177.631 175.900 0.329 0.000 1.129 161 Y CA 0.007 58.274 58.100 0.278 0.000 1.365 161 Y CB 1.027 39.637 38.460 0.249 0.000 1.233 161 Y HN 0.613 nan 8.280 nan 0.000 0.529 162 E N 2.152 122.542 120.200 0.316 0.000 2.152 162 E HA -0.060 4.278 4.350 -0.020 0.000 0.192 162 E C -0.741 175.766 176.600 -0.156 0.000 0.983 162 E CA 0.699 57.072 56.400 -0.045 0.000 0.818 162 E CB 0.198 29.774 29.700 -0.205 0.000 0.758 162 E HN 0.489 nan 8.360 nan 0.000 0.467 163 F N -0.164 120.012 119.950 0.378 0.000 2.460 163 F HA 0.421 4.936 4.527 -0.020 0.000 0.341 163 F C 0.782 176.678 175.800 0.160 0.000 1.130 163 F CA -0.811 57.368 58.000 0.299 0.000 0.962 163 F CB 1.735 40.833 39.000 0.163 0.000 1.171 163 F HN -0.111 nan 8.300 nan 0.000 0.436 164 G N 1.932 110.851 108.800 0.198 0.000 2.485 164 G HA2 0.299 4.247 3.960 -0.020 0.000 0.260 164 G HA3 0.299 4.247 3.960 -0.020 0.000 0.260 164 G C -0.450 174.407 174.900 -0.071 0.000 1.459 164 G CA -0.653 44.390 45.100 -0.096 0.000 1.060 164 G HN 0.592 nan 8.290 nan 0.000 0.546 165 I N 0.830 121.283 120.570 -0.194 0.000 2.683 165 I HA 0.234 4.392 4.170 -0.020 0.000 0.286 165 I C 0.645 176.674 176.117 -0.147 0.000 1.175 165 I CA -0.973 60.204 61.300 -0.204 0.000 1.429 165 I CB -0.267 37.517 38.000 -0.359 0.000 1.371 165 I HN 0.369 nan 8.210 nan 0.000 0.569 166 F N 6.331 126.289 119.950 0.014 0.000 2.650 166 F HA 0.137 4.652 4.527 -0.020 0.000 0.355 166 F C 0.390 176.240 175.800 0.083 0.000 1.163 166 F CA -0.319 57.712 58.000 0.052 0.000 1.374 166 F CB -0.267 38.751 39.000 0.030 0.000 1.065 166 F HN 0.449 nan 8.300 nan 0.000 0.616 167 N N 2.602 121.458 118.700 0.260 0.000 2.444 167 N HA 0.060 4.788 4.740 -0.020 0.000 0.271 167 N C -0.797 174.924 175.510 0.351 0.000 1.069 167 N CA -0.331 52.837 53.050 0.196 0.000 0.965 167 N CB 1.258 39.865 38.487 0.199 0.000 1.092 167 N HN 0.755 nan 8.380 nan 0.000 0.476 168 Q N 2.344 122.317 119.800 0.288 0.000 2.243 168 Q HA 0.241 4.569 4.340 -0.020 0.000 0.252 168 Q C -0.997 175.179 176.000 0.294 0.000 0.909 168 Q CA -0.138 55.902 55.803 0.395 0.000 0.922 168 Q CB 0.849 29.819 28.738 0.387 0.000 1.215 168 Q HN 0.350 nan 8.270 nan 0.000 0.427 169 K N 3.275 123.831 120.400 0.260 0.000 2.375 169 K HA 0.517 4.825 4.320 -0.020 0.000 0.249 169 K C -1.014 175.696 176.600 0.183 0.000 0.942 169 K CA -0.862 55.552 56.287 0.212 0.000 0.806 169 K CB 1.581 34.183 32.500 0.171 0.000 1.227 169 K HN 0.533 nan 8.250 nan 0.000 0.430 170 I N 2.336 123.007 120.570 0.167 0.000 2.355 170 I HA 0.270 4.428 4.170 -0.020 0.000 0.288 170 I C -0.658 175.530 176.117 0.117 0.000 0.999 170 I CA -0.747 60.626 61.300 0.121 0.000 1.163 170 I CB 0.809 38.865 38.000 0.094 0.000 1.316 170 I HN 0.598 nan 8.210 nan 0.000 0.454 171 C N 3.746 123.124 119.300 0.130 0.000 2.364 171 C HA 0.625 5.073 4.460 -0.020 0.000 0.324 171 C C 1.136 176.240 174.990 0.189 0.000 1.234 171 C CA -0.450 58.645 59.018 0.129 0.000 1.417 171 C CB 0.651 28.453 27.740 0.103 0.000 2.101 171 C HN 1.094 nan 8.230 nan 0.000 0.466 172 G N 2.129 111.019 108.800 0.150 0.000 2.179 172 G HA2 0.125 4.073 3.960 -0.020 0.000 0.257 172 G HA3 0.125 4.073 3.960 -0.020 0.000 0.257 172 G C 1.083 176.066 174.900 0.138 0.000 1.010 172 G CA 1.012 46.226 45.100 0.190 0.000 0.736 172 G HN 2.448 nan 8.290 nan 0.000 0.513 173 G N -2.986 105.826 108.800 0.020 0.000 2.176 173 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.253 173 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.253 173 G C 0.342 175.052 174.900 -0.316 0.000 0.979 173 G CA 0.682 45.671 45.100 -0.186 0.000 0.641 173 G HN 1.225 nan 8.290 nan 0.000 0.530 174 W N 0.673 121.921 121.300 -0.086 0.000 2.578 174 W HA 0.688 5.336 4.660 -0.020 0.000 0.353 174 W C 0.577 177.042 176.519 -0.091 0.000 1.088 174 W CA -0.806 56.477 57.345 -0.103 0.000 1.235 174 W CB 0.720 30.137 29.460 -0.072 0.000 1.362 174 W HN 0.277 nan 8.180 nan 0.000 0.592 175 Q N 2.430 122.334 119.800 0.175 0.000 2.288 175 Q HA 0.401 4.729 4.340 -0.020 0.000 0.254 175 Q C -0.738 175.328 176.000 0.110 0.000 0.932 175 Q CA -0.057 55.819 55.803 0.121 0.000 0.902 175 Q CB 0.706 29.511 28.738 0.112 0.000 1.203 175 Q HN 0.332 nan 8.270 nan 0.000 0.415 176 M N 3.084 122.747 119.600 0.104 0.000 2.326 176 M HA 0.376 4.844 4.480 -0.020 0.000 0.306 176 M C -1.209 175.119 176.300 0.047 0.000 1.054 176 M CA -0.631 54.695 55.300 0.043 0.000 0.922 176 M CB 1.781 34.417 32.600 0.059 0.000 1.632 176 M HN 0.674 nan 8.290 nan 0.000 0.436 177 E N 1.321 121.467 120.200 -0.088 0.000 2.266 177 E HA 0.490 4.828 4.350 -0.020 0.000 0.277 177 E C -0.845 175.766 176.600 0.018 0.000 1.018 177 E CA -0.337 55.987 56.400 -0.126 0.000 0.840 177 E CB 1.663 30.983 29.700 -0.633 0.000 1.082 177 E HN 0.430 nan 8.360 nan 0.000 0.395 178 E N 0.758 121.056 120.200 0.165 0.000 2.272 178 E HA 0.528 4.866 4.350 -0.020 0.000 0.269 178 E C -1.246 175.456 176.600 0.170 0.000 0.877 178 E CA -1.070 55.409 56.400 0.131 0.000 0.755 178 E CB 1.617 31.408 29.700 0.152 0.000 1.192 178 E HN 0.620 nan 8.360 nan 0.000 0.422 179 A N 2.865 125.737 122.820 0.087 0.000 2.540 179 A HA -0.014 4.294 4.320 -0.020 0.000 0.239 179 A C 0.004 177.761 177.584 0.288 0.000 1.061 179 A CA 0.271 52.364 52.037 0.094 0.000 0.758 179 A CB 0.085 18.997 19.000 -0.146 0.000 0.991 179 A HN 0.615 nan 8.150 nan 0.000 0.502 180 D N 1.655 122.298 120.400 0.405 0.000 2.494 180 D HA 0.199 4.827 4.640 -0.020 0.000 0.217 180 D C -0.344 176.280 176.300 0.541 0.000 1.153 180 D CA -0.228 54.009 54.000 0.395 0.000 0.954 180 D CB 0.334 41.297 40.800 0.272 0.000 1.034 180 D HN 0.381 nan 8.370 nan 0.000 0.518 181 D N 3.636 124.306 120.400 0.450 0.000 2.885 181 D HA -0.033 4.595 4.640 -0.020 0.000 0.234 181 D C 1.135 177.535 176.300 0.167 0.000 1.129 181 D CA -0.470 53.685 54.000 0.258 0.000 0.991 181 D CB -0.222 40.722 40.800 0.241 0.000 1.137 181 D HN 0.562 nan 8.370 nan 0.000 0.459 182 W N 1.187 122.499 121.300 0.021 0.000 2.538 182 W HA -0.057 4.591 4.660 -0.020 0.000 0.254 182 W C -0.032 176.519 176.519 0.053 0.000 1.249 182 W CA 0.161 57.544 57.345 0.063 0.000 1.253 182 W CB -0.724 28.787 29.460 0.085 0.000 1.130 182 W HN 0.177 nan 8.180 nan 0.000 0.618 183 L N 1.045 121.911 121.223 -0.595 0.000 2.700 183 L HA 0.219 4.547 4.340 -0.020 0.000 0.234 183 L C 2.673 179.353 176.870 -0.317 0.000 1.156 183 L CA -0.158 54.313 54.840 -0.615 0.000 0.946 183 L CB -0.539 41.028 42.059 -0.821 0.000 1.216 183 L HN -0.111 nan 8.230 nan 0.000 0.493 184 R N 0.814 121.146 120.500 -0.281 0.000 2.096 184 R HA -0.211 4.117 4.340 -0.020 0.000 0.240 184 R C 1.006 177.051 176.300 -0.425 0.000 1.139 184 R CA 2.031 57.888 56.100 -0.407 0.000 0.952 184 R CB -0.107 29.820 30.300 -0.621 0.000 0.854 184 R HN 0.334 nan 8.270 nan 0.000 0.436 185 Y N -0.328 119.996 120.300 0.040 0.000 2.571 185 Y HA 0.377 4.915 4.550 -0.020 0.000 0.275 185 Y C 0.814 176.737 175.900 0.039 0.000 1.179 185 Y CA 0.228 58.347 58.100 0.032 0.000 1.242 185 Y CB 0.645 39.196 38.460 0.150 0.000 1.126 185 Y HN 0.401 nan 8.280 nan 0.000 0.524 186 G N 1.404 110.271 108.800 0.112 0.000 2.746 186 G HA2 -0.229 3.719 3.960 -0.020 0.000 0.685 186 G HA3 -0.229 3.719 3.960 -0.020 0.000 0.685 186 G C -1.190 173.817 174.900 0.178 0.000 1.350 186 G CA -0.768 44.389 45.100 0.096 0.000 0.837 186 G HN 0.309 nan 8.290 nan 0.000 0.564 187 N N 0.900 119.654 118.700 0.091 0.000 2.573 187 N HA 0.549 5.277 4.740 -0.020 0.000 0.262 187 N C -0.741 174.782 175.510 0.021 0.000 1.029 187 N CA -1.863 51.229 53.050 0.070 0.000 0.882 187 N CB 2.037 40.509 38.487 -0.025 0.000 1.204 187 N HN 0.254 nan 8.380 nan 0.000 0.519 188 P HA -0.011 nan 4.420 nan 0.000 0.234 188 P C 0.493 177.409 177.300 -0.639 0.000 1.167 188 P CA 0.791 63.551 63.100 -0.567 0.000 0.763 188 P CB 0.121 31.114 31.700 -1.179 0.000 0.835 189 W N 1.647 122.967 121.300 0.033 0.000 2.588 189 W HA 0.074 4.722 4.660 -0.020 0.000 0.277 189 W C 1.374 177.966 176.519 0.121 0.000 1.221 189 W CA -0.335 57.037 57.345 0.044 0.000 1.355 189 W CB -0.336 29.143 29.460 0.031 0.000 1.083 189 W HN -0.067 nan 8.180 nan 0.000 0.581 190 E N 1.953 122.356 120.200 0.338 0.000 2.392 190 E HA 0.246 4.584 4.350 -0.020 0.000 0.259 190 E C -0.488 176.300 176.600 0.314 0.000 1.108 190 E CA -0.350 56.256 56.400 0.344 0.000 0.916 190 E CB 1.014 30.925 29.700 0.352 0.000 0.989 190 E HN -0.342 nan 8.360 nan 0.000 0.432 191 K N 1.190 121.772 120.400 0.304 0.000 2.668 191 K HA 0.398 4.706 4.320 -0.020 0.000 0.246 191 K C -1.188 175.409 176.600 -0.005 0.000 0.976 191 K CA -0.375 56.002 56.287 0.151 0.000 0.902 191 K CB 1.476 34.052 32.500 0.127 0.000 1.172 191 K HN 0.693 nan 8.250 nan 0.000 0.452 192 A N 3.809 126.512 122.820 -0.194 0.000 2.448 192 A HA 0.446 4.754 4.320 -0.020 0.000 0.239 192 A C -0.388 177.017 177.584 -0.298 0.000 1.080 192 A CA 0.032 51.727 52.037 -0.571 0.000 0.779 192 A CB 0.278 18.822 19.000 -0.759 0.000 1.026 192 A HN 0.699 nan 8.150 nan 0.000 0.499 193 R N 2.018 122.357 120.500 -0.269 0.000 2.629 193 R HA 0.191 4.519 4.340 -0.020 0.000 0.275 193 R C -2.498 173.747 176.300 -0.091 0.000 1.719 193 R CA -1.383 54.628 56.100 -0.148 0.000 1.472 193 R CB 1.387 31.656 30.300 -0.051 0.000 1.237 193 R HN 0.566 nan 8.270 nan 0.000 0.589 194 P HA -0.249 nan 4.420 nan 0.000 0.216 194 P C 1.081 178.374 177.300 -0.012 0.000 1.153 194 P CA 1.448 64.522 63.100 -0.043 0.000 0.858 194 P CB 0.270 31.934 31.700 -0.060 0.000 0.789 195 E N -0.827 119.313 120.200 -0.101 0.000 2.396 195 E HA -0.166 4.172 4.350 -0.020 0.000 0.200 195 E C 0.813 177.387 176.600 -0.044 0.000 1.023 195 E CA 0.923 57.242 56.400 -0.136 0.000 0.857 195 E CB -0.811 28.715 29.700 -0.290 0.000 0.775 195 E HN 0.229 nan 8.360 nan 0.000 0.525 196 F N 1.721 121.698 119.950 0.045 0.000 2.647 196 F HA 0.251 4.766 4.527 -0.020 0.000 0.300 196 F C 0.324 176.246 175.800 0.205 0.000 1.106 196 F CA -0.859 57.206 58.000 0.108 0.000 1.313 196 F CB 0.067 39.122 39.000 0.092 0.000 1.007 196 F HN -0.272 nan 8.300 nan 0.000 0.536 197 T N 3.082 117.831 114.554 0.326 0.000 2.928 197 T HA 0.369 4.707 4.350 -0.020 0.000 0.305 197 T C 0.139 174.961 174.700 0.204 0.000 1.035 197 T CA 0.493 62.763 62.100 0.283 0.000 1.145 197 T CB 0.592 69.568 68.868 0.181 0.000 0.963 197 T HN -0.036 nan 8.240 nan 0.000 0.545 198 L N 5.047 126.341 121.223 0.118 0.000 2.371 198 L HA 0.551 4.879 4.340 -0.020 0.000 0.262 198 L C -2.345 174.471 176.870 -0.089 0.000 1.006 198 L CA -2.628 52.195 54.840 -0.028 0.000 0.818 198 L CB 2.590 44.544 42.059 -0.176 0.000 1.354 198 L HN 0.390 nan 8.230 nan 0.000 0.415 199 P HA 0.292 nan 4.420 nan 0.000 0.290 199 P C -1.182 175.997 177.300 -0.201 0.000 1.276 199 P CA -0.418 62.600 63.100 -0.136 0.000 0.808 199 P CB 1.984 33.609 31.700 -0.125 0.000 0.966 200 V N 4.412 124.192 119.914 -0.223 0.000 2.540 200 V HA 0.302 4.410 4.120 -0.020 0.000 0.302 200 V C -0.231 175.654 176.094 -0.349 0.000 1.035 200 V CA -0.540 61.620 62.300 -0.234 0.000 0.873 200 V CB 1.205 32.946 31.823 -0.136 0.000 0.992 200 V HN 0.575 nan 8.190 nan 0.000 0.428 201 H N 4.084 122.963 119.070 -0.318 0.000 2.463 201 H HA 0.754 5.298 4.556 -0.020 0.000 0.332 201 H C -0.985 173.981 175.328 -0.604 0.000 1.127 201 H CA -0.243 55.534 56.048 -0.452 0.000 1.238 201 H CB 1.187 30.472 29.762 -0.795 0.000 1.478 201 H HN 0.494 nan 8.280 nan 0.000 0.499 202 F N 0.553 120.534 119.950 0.052 0.000 2.603 202 F HA 0.317 4.832 4.527 -0.020 0.000 0.317 202 F C -0.203 175.685 175.800 0.146 0.000 1.066 202 F CA -0.878 57.163 58.000 0.068 0.000 0.941 202 F CB 0.788 39.762 39.000 -0.044 0.000 1.291 202 F HN 0.547 nan 8.300 nan 0.000 0.472 203 Y N 0.218 120.781 120.300 0.438 0.000 2.885 203 Y HA -0.024 4.514 4.550 -0.020 0.000 0.466 203 Y C 1.412 177.522 175.900 0.351 0.000 1.189 203 Y CA 0.832 59.119 58.100 0.313 0.000 2.539 203 Y CB -1.870 36.709 38.460 0.198 0.000 1.224 203 Y HN 1.291 nan 8.280 nan 0.000 0.631 204 G N 0.483 109.532 108.800 0.414 0.000 2.642 204 G HA2 0.098 4.046 3.960 -0.020 0.000 0.231 204 G HA3 0.098 4.046 3.960 -0.020 0.000 0.231 204 G C -0.526 174.580 174.900 0.344 0.000 1.338 204 G CA 0.811 46.071 45.100 0.267 0.000 0.883 204 G HN 1.300 nan 8.290 nan 0.000 0.570 205 R N -2.842 117.855 120.500 0.329 0.000 2.810 205 R HA 0.796 5.124 4.340 -0.020 0.000 0.266 205 R C -1.467 174.996 176.300 0.271 0.000 1.061 205 R CA -0.993 55.261 56.100 0.258 0.000 0.943 205 R CB 1.373 31.764 30.300 0.152 0.000 1.237 205 R HN 0.946 nan 8.270 nan 0.000 0.459 206 V N 1.262 121.242 119.914 0.110 0.000 2.487 206 V HA 0.344 4.452 4.120 -0.020 0.000 0.298 206 V C -0.602 175.445 176.094 -0.078 0.000 1.028 206 V CA -0.632 61.660 62.300 -0.012 0.000 0.860 206 V CB 1.392 33.132 31.823 -0.138 0.000 0.991 206 V HN 0.845 nan 8.190 nan 0.000 0.427 207 E N 4.055 124.185 120.200 -0.117 0.000 2.199 207 E HA 0.501 4.839 4.350 -0.020 0.000 0.269 207 E C -1.195 175.283 176.600 -0.203 0.000 0.899 207 E CA -0.894 55.455 56.400 -0.085 0.000 0.772 207 E CB 1.883 31.583 29.700 0.000 0.000 1.155 207 E HN 0.691 nan 8.360 nan 0.000 0.408 208 H N 2.996 122.078 119.070 0.020 0.000 2.724 208 H HA 0.148 4.692 4.556 -0.020 0.000 0.278 208 H C 0.206 175.542 175.328 0.012 0.000 1.159 208 H CA -0.248 55.807 56.048 0.012 0.000 1.254 208 H CB 1.085 30.849 29.762 0.004 0.000 1.412 208 H HN 0.683 nan 8.280 nan 0.000 0.488 209 T N -0.480 114.120 114.554 0.075 0.000 2.824 209 T HA 0.041 4.379 4.350 -0.020 0.000 0.277 209 T C 1.890 176.624 174.700 0.057 0.000 0.975 209 T CA -0.013 62.119 62.100 0.054 0.000 0.966 209 T CB 1.630 70.515 68.868 0.028 0.000 1.054 209 T HN 0.513 nan 8.240 nan 0.000 0.533 210 S N 1.126 116.850 115.700 0.040 0.000 2.401 210 S HA -0.338 4.120 4.470 -0.020 0.000 0.236 210 S C 2.000 176.622 174.600 0.036 0.000 1.058 210 S CA 2.494 60.715 58.200 0.034 0.000 1.151 210 S CB -1.137 62.078 63.200 0.025 0.000 1.049 210 S HN 0.839 nan 8.310 nan 0.000 0.432 211 Q N 1.064 120.883 119.800 0.032 0.000 2.012 211 Q HA 0.057 4.385 4.340 -0.020 0.000 0.211 211 Q C 1.713 177.738 176.000 0.041 0.000 1.009 211 Q CA 1.631 57.452 55.803 0.030 0.000 0.866 211 Q CB -0.809 27.942 28.738 0.023 0.000 0.945 211 Q HN 0.754 nan 8.270 nan 0.000 0.414 212 G N -0.543 108.285 108.800 0.047 0.000 2.704 212 G HA2 0.515 4.463 3.960 -0.020 0.000 0.118 212 G HA3 0.515 4.463 3.960 -0.020 0.000 0.118 212 G C -1.806 173.136 174.900 0.069 0.000 1.197 212 G CA -0.190 44.952 45.100 0.070 0.000 1.152 212 G HN 0.473 nan 8.290 nan 0.000 0.571 213 A N -0.262 122.570 122.820 0.020 0.000 2.306 213 A HA 0.837 5.145 4.320 -0.020 0.000 0.330 213 A C -0.384 177.134 177.584 -0.112 0.000 1.146 213 A CA -0.352 51.599 52.037 -0.143 0.000 0.827 213 A CB 1.332 20.218 19.000 -0.191 0.000 1.178 213 A HN 0.464 nan 8.150 nan 0.000 0.490 214 K N 0.567 120.884 120.400 -0.138 0.000 2.468 214 K HA 0.268 4.576 4.320 -0.020 0.000 0.252 214 K C -2.038 174.589 176.600 0.045 0.000 0.932 214 K CA -0.443 55.824 56.287 -0.034 0.000 0.794 214 K CB 1.885 34.372 32.500 -0.022 0.000 1.241 214 K HN 0.715 nan 8.250 nan 0.000 0.428 215 W N 5.728 126.941 121.300 -0.145 0.000 2.288 215 W HA 0.329 4.977 4.660 -0.020 0.000 0.325 215 W C -0.755 175.705 176.519 -0.098 0.000 1.019 215 W CA -0.836 56.432 57.345 -0.129 0.000 1.403 215 W CB 0.137 29.503 29.460 -0.156 0.000 1.226 215 W HN 0.263 nan 8.180 nan 0.000 0.391 216 V N 2.648 122.618 119.914 0.093 0.000 3.103 216 V HA 0.602 4.710 4.120 -0.020 0.000 0.318 216 V C 0.274 176.348 176.094 -0.033 0.000 1.114 216 V CA -0.801 61.484 62.300 -0.025 0.000 1.020 216 V CB 1.804 33.636 31.823 0.015 0.000 1.085 216 V HN 0.442 nan 8.190 nan 0.000 0.446 217 D N 0.707 121.087 120.400 -0.033 0.000 2.723 217 D HA -0.142 4.486 4.640 -0.020 0.000 0.236 217 D C 0.384 176.679 176.300 -0.008 0.000 1.138 217 D CA 1.400 55.399 54.000 -0.002 0.000 0.676 217 D CB -0.962 39.860 40.800 0.038 0.000 1.069 217 D HN 1.359 nan 8.370 nan 0.000 0.430 218 T N -2.392 112.111 114.554 -0.085 0.000 2.934 218 T HA 0.585 4.923 4.350 -0.020 0.000 0.283 218 T C 0.418 175.138 174.700 0.034 0.000 1.005 218 T CA -0.810 61.242 62.100 -0.079 0.000 1.041 218 T CB 1.887 70.529 68.868 -0.378 0.000 1.042 218 T HN 0.085 nan 8.240 nan 0.000 0.505 219 Q N 0.870 120.751 119.800 0.135 0.000 2.256 219 Q HA 0.562 4.890 4.340 -0.020 0.000 0.254 219 Q C -0.874 175.201 176.000 0.125 0.000 0.916 219 Q CA -0.799 55.100 55.803 0.159 0.000 0.932 219 Q CB 1.788 30.695 28.738 0.281 0.000 1.207 219 Q HN 0.507 nan 8.270 nan 0.000 0.426 220 V N 3.076 123.002 119.914 0.019 0.000 2.532 220 V HA 0.487 4.595 4.120 -0.020 0.000 0.295 220 V C -0.297 175.826 176.094 0.049 0.000 1.041 220 V CA -0.641 61.601 62.300 -0.098 0.000 0.926 220 V CB 1.875 33.563 31.823 -0.226 0.000 0.992 220 V HN 0.484 nan 8.190 nan 0.000 0.457 221 V N 5.306 125.281 119.914 0.103 0.000 2.638 221 V HA 0.463 4.571 4.120 -0.020 0.000 0.306 221 V C -0.298 175.900 176.094 0.174 0.000 1.052 221 V CA -0.560 61.852 62.300 0.186 0.000 0.885 221 V CB 1.900 33.928 31.823 0.342 0.000 0.999 221 V HN 0.630 nan 8.190 nan 0.000 0.424 222 L N 3.338 124.659 121.223 0.164 0.000 2.399 222 L HA 0.772 5.100 4.340 -0.020 0.000 0.266 222 L C 0.468 177.526 176.870 0.312 0.000 1.114 222 L CA -0.375 54.562 54.840 0.161 0.000 0.804 222 L CB 1.422 43.557 42.059 0.127 0.000 1.146 222 L HN 0.777 nan 8.230 nan 0.000 0.451 223 A N 4.459 127.398 122.820 0.199 0.000 2.360 223 A HA 0.525 4.833 4.320 -0.020 0.000 0.309 223 A C -0.527 177.333 177.584 0.460 0.000 1.311 223 A CA -0.460 51.719 52.037 0.237 0.000 0.805 223 A CB 0.854 19.503 19.000 -0.585 0.000 1.144 223 A HN 0.766 nan 8.150 nan 0.000 0.486 224 M N 5.788 125.717 119.600 0.549 0.000 2.108 224 M HA 0.415 4.883 4.480 -0.020 0.000 0.354 224 M C -2.501 174.120 176.300 0.535 0.000 1.229 224 M CA -2.018 53.569 55.300 0.477 0.000 1.081 224 M CB 1.610 34.415 32.600 0.342 0.000 1.606 224 M HN 0.327 nan 8.290 nan 0.000 0.467 225 P HA 0.203 nan 4.420 nan 0.000 0.286 225 P C -1.927 175.359 177.300 -0.023 0.000 1.269 225 P CA 0.021 63.064 63.100 -0.095 0.000 0.787 225 P CB 0.382 31.752 31.700 -0.551 0.000 0.920 226 Y N 1.159 121.412 120.300 -0.079 0.000 2.328 226 Y HA 0.301 4.838 4.550 -0.020 0.000 0.336 226 Y C 0.353 176.259 175.900 0.010 0.000 0.960 226 Y CA -0.300 57.807 58.100 0.013 0.000 1.134 226 Y CB 1.093 39.591 38.460 0.063 0.000 1.166 226 Y HN 0.242 nan 8.280 nan 0.000 0.464 227 D N 2.026 122.543 120.400 0.195 0.000 2.225 227 D HA 0.349 4.977 4.640 -0.020 0.000 0.248 227 D C -0.453 176.092 176.300 0.409 0.000 1.096 227 D CA -0.049 54.118 54.000 0.279 0.000 0.863 227 D CB 1.511 42.520 40.800 0.349 0.000 1.156 227 D HN 0.372 nan 8.370 nan 0.000 0.450 228 T N 3.310 118.009 114.554 0.242 0.000 2.841 228 T HA 0.490 4.828 4.350 -0.020 0.000 0.283 228 T C -2.552 172.008 174.700 -0.233 0.000 1.000 228 T CA -1.495 60.658 62.100 0.088 0.000 0.977 228 T CB 2.055 70.956 68.868 0.055 0.000 0.979 228 T HN 0.181 nan 8.240 nan 0.000 0.446 229 P HA 0.349 nan 4.420 nan 0.000 0.285 229 P C -0.881 176.085 177.300 -0.557 0.000 1.259 229 P CA -0.527 61.899 63.100 -1.122 0.000 0.794 229 P CB 1.178 31.910 31.700 -1.613 0.000 0.940 230 V N 3.276 122.924 119.914 -0.442 0.000 2.325 230 V HA 0.481 4.589 4.120 -0.020 0.000 0.280 230 V C -2.745 173.214 176.094 -0.225 0.000 1.016 230 V CA -2.785 59.350 62.300 -0.274 0.000 0.818 230 V CB 1.649 33.363 31.823 -0.182 0.000 1.019 230 V HN 0.379 nan 8.190 nan 0.000 0.434 231 P HA 0.365 nan 4.420 nan 0.000 0.286 231 P C 0.467 177.720 177.300 -0.080 0.000 1.269 231 P CA 0.436 63.450 63.100 -0.143 0.000 0.787 231 P CB 1.609 33.221 31.700 -0.147 0.000 0.920 232 G N 2.370 111.140 108.800 -0.051 0.000 2.651 232 G HA2 0.112 4.060 3.960 -0.020 0.000 0.260 232 G HA3 0.112 4.060 3.960 -0.020 0.000 0.260 232 G C -1.179 173.735 174.900 0.024 0.000 1.216 232 G CA -0.385 44.715 45.100 0.000 0.000 0.913 232 G HN 0.475 nan 8.290 nan 0.000 0.535 233 Y N 1.399 121.663 120.300 -0.061 0.000 2.539 233 Y HA 0.244 4.782 4.550 -0.020 0.000 0.352 233 Y C 1.554 177.417 175.900 -0.062 0.000 1.004 233 Y CA -0.462 57.597 58.100 -0.068 0.000 1.278 233 Y CB 0.010 38.428 38.460 -0.070 0.000 1.136 233 Y HN 0.684 nan 8.280 nan 0.000 0.528 234 R N 2.586 122.778 120.500 -0.514 0.000 3.701 234 R HA -0.291 4.037 4.340 -0.020 0.000 0.276 234 R C -0.084 176.092 176.300 -0.205 0.000 1.150 234 R CA 1.047 56.895 56.100 -0.419 0.000 0.763 234 R CB -2.123 27.797 30.300 -0.634 0.000 1.147 234 R HN 0.769 nan 8.270 nan 0.000 0.489 235 N N 0.092 118.718 118.700 -0.124 0.000 2.187 235 N HA -0.007 4.721 4.740 -0.020 0.000 0.212 235 N C -0.045 175.422 175.510 -0.072 0.000 1.152 235 N CA -0.287 52.719 53.050 -0.073 0.000 0.872 235 N CB 0.187 38.654 38.487 -0.032 0.000 1.025 235 N HN 0.154 nan 8.380 nan 0.000 0.514 236 N N -0.662 117.990 118.700 -0.080 0.000 2.782 236 N HA -0.126 4.602 4.740 -0.020 0.000 0.251 236 N C -1.252 174.220 175.510 -0.063 0.000 1.101 236 N CA 0.512 53.523 53.050 -0.065 0.000 0.764 236 N CB -1.635 36.815 38.487 -0.061 0.000 1.122 236 N HN 0.204 nan 8.380 nan 0.000 0.561 237 V N 0.951 120.830 119.914 -0.058 0.000 2.394 237 V HA 0.529 4.637 4.120 -0.020 0.000 0.282 237 V C 0.443 176.506 176.094 -0.051 0.000 1.031 237 V CA -0.608 61.663 62.300 -0.048 0.000 0.881 237 V CB 2.246 34.060 31.823 -0.014 0.000 0.982 237 V HN -0.048 nan 8.190 nan 0.000 0.451 238 V N 5.186 125.072 119.914 -0.047 0.000 2.447 238 V HA 0.487 4.595 4.120 -0.020 0.000 0.292 238 V C -0.198 175.861 176.094 -0.057 0.000 1.021 238 V CA -0.779 61.457 62.300 -0.106 0.000 0.850 238 V CB 1.664 33.406 31.823 -0.135 0.000 1.005 238 V HN 0.836 nan 8.190 nan 0.000 0.426 239 N N 1.894 120.535 118.700 -0.097 0.000 2.491 239 N HA 0.633 5.361 4.740 -0.020 0.000 0.279 239 N C -0.141 175.320 175.510 -0.081 0.000 1.236 239 N CA -0.359 52.662 53.050 -0.048 0.000 0.982 239 N CB 1.530 39.966 38.487 -0.084 0.000 1.194 239 N HN 0.617 nan 8.380 nan 0.000 0.582 240 T N 0.688 115.227 114.554 -0.025 0.000 2.863 240 T HA 0.458 4.796 4.350 -0.020 0.000 0.285 240 T C -0.379 174.286 174.700 -0.058 0.000 1.009 240 T CA -0.521 61.620 62.100 0.068 0.000 0.989 240 T CB 1.137 70.190 68.868 0.308 0.000 1.004 240 T HN 0.288 nan 8.240 nan 0.000 0.455 241 M N 3.232 122.773 119.600 -0.099 0.000 2.125 241 M HA 0.512 4.980 4.480 -0.020 0.000 0.321 241 M C -0.749 175.426 176.300 -0.208 0.000 0.983 241 M CA -0.780 54.379 55.300 -0.236 0.000 0.934 241 M CB 0.967 33.384 32.600 -0.306 0.000 1.542 241 M HN 0.488 nan 8.290 nan 0.000 0.424 242 R N 5.722 126.010 120.500 -0.354 0.000 2.246 242 R HA 0.607 4.934 4.340 -0.020 0.000 0.332 242 R C -1.880 174.194 176.300 -0.376 0.000 0.974 242 R CA -0.349 55.512 56.100 -0.398 0.000 0.837 242 R CB 0.770 30.667 30.300 -0.672 0.000 1.145 242 R HN 0.786 nan 8.270 nan 0.000 0.467 243 L N 5.230 126.322 121.223 -0.218 0.000 2.313 243 L HA 0.482 4.810 4.340 -0.020 0.000 0.283 243 L C -0.691 176.172 176.870 -0.012 0.000 1.013 243 L CA -0.891 53.907 54.840 -0.070 0.000 0.816 243 L CB 1.315 43.408 42.059 0.057 0.000 1.236 243 L HN 0.567 nan 8.230 nan 0.000 0.419 244 W N 2.005 123.431 121.300 0.210 0.000 2.261 244 W HA 0.425 5.073 4.660 -0.020 0.000 0.323 244 W C 0.617 177.364 176.519 0.380 0.000 1.243 244 W CA -0.085 57.400 57.345 0.232 0.000 1.210 244 W CB 1.252 30.691 29.460 -0.035 0.000 1.149 244 W HN 0.355 nan 8.180 nan 0.000 0.562 245 S N 1.457 117.582 115.700 0.708 0.000 2.513 245 S HA 0.746 5.204 4.470 -0.020 0.000 0.299 245 S C -0.486 174.469 174.600 0.592 0.000 1.087 245 S CA -0.753 57.755 58.200 0.513 0.000 1.012 245 S CB 0.782 64.218 63.200 0.393 0.000 1.044 245 S HN 0.502 nan 8.310 nan 0.000 0.485 246 A N 4.536 127.529 122.820 0.289 0.000 2.366 246 A HA 0.662 4.969 4.320 -0.020 0.000 0.272 246 A C -0.310 177.364 177.584 0.149 0.000 1.135 246 A CA -0.270 51.840 52.037 0.122 0.000 0.804 246 A CB 0.300 19.123 19.000 -0.295 0.000 1.064 246 A HN 0.605 nan 8.150 nan 0.000 0.499 247 K N 1.295 121.804 120.400 0.181 0.000 2.427 247 K HA 0.606 4.914 4.320 -0.020 0.000 0.252 247 K C -0.304 176.356 176.600 0.100 0.000 0.931 247 K CA -0.423 55.945 56.287 0.136 0.000 0.793 247 K CB 2.225 34.822 32.500 0.161 0.000 1.211 247 K HN 0.814 nan 8.250 nan 0.000 0.426 248 A N 4.072 126.932 122.820 0.066 0.000 2.407 248 A HA 0.437 4.745 4.320 -0.020 0.000 0.248 248 A C -1.917 175.697 177.584 0.050 0.000 1.082 248 A CA -0.726 51.340 52.037 0.048 0.000 0.785 248 A CB -0.445 18.571 19.000 0.027 0.000 1.020 248 A HN 0.402 nan 8.150 nan 0.000 0.489 249 P HA 0.223 nan 4.420 nan 0.000 0.277 249 P C -0.826 176.492 177.300 0.030 0.000 1.271 249 P CA -0.508 62.612 63.100 0.033 0.000 0.795 249 P CB 0.628 32.339 31.700 0.018 0.000 1.101 261 G N -0.933 107.882 108.800 0.025 0.000 2.662 261 G HA2 0.072 4.020 3.960 -0.020 0.000 0.686 261 G HA3 0.072 4.020 3.960 -0.020 0.000 0.686 261 G C 0.196 175.137 174.900 0.067 0.000 1.271 261 G CA 0.122 45.255 45.100 0.055 0.000 0.816 261 G HN 1.164 nan 8.290 nan 0.000 0.608 262 Y N 1.002 121.303 120.300 0.001 0.000 2.097 262 Y HA -0.110 4.428 4.550 -0.020 0.000 0.282 262 Y C 2.777 178.678 175.900 0.002 0.000 1.152 262 Y CA 2.531 60.632 58.100 0.002 0.000 1.136 262 Y CB -0.125 38.336 38.460 0.002 0.000 0.975 262 Y HN 0.482 nan 8.280 nan 0.000 0.498 263 I N 0.553 121.038 120.570 -0.141 0.000 2.099 263 I HA -0.329 3.829 4.170 -0.020 0.000 0.239 263 I C 2.430 178.414 176.117 -0.220 0.000 1.066 263 I CA 1.922 63.077 61.300 -0.243 0.000 1.324 263 I CB -1.546 36.436 38.000 -0.030 0.000 1.037 263 I HN 0.327 nan 8.210 nan 0.000 0.401 264 Q N 1.031 120.763 119.800 -0.113 0.000 2.152 264 Q HA -0.153 4.175 4.340 -0.020 0.000 0.206 264 Q C 2.166 178.101 176.000 -0.108 0.000 0.985 264 Q CA 2.280 58.032 55.803 -0.086 0.000 0.863 264 Q CB -0.415 28.296 28.738 -0.045 0.000 0.904 264 Q HN 0.503 nan 8.270 nan 0.000 0.422 265 A N -1.043 121.697 122.820 -0.134 0.000 1.969 265 A HA -0.096 4.212 4.320 -0.020 0.000 0.218 265 A C 2.206 179.698 177.584 -0.154 0.000 1.169 265 A CA 1.517 53.483 52.037 -0.117 0.000 0.635 265 A CB -0.490 18.457 19.000 -0.088 0.000 0.810 265 A HN 0.263 nan 8.150 nan 0.000 0.445 266 V N -0.079 119.675 119.914 -0.267 0.000 2.488 266 V HA -0.148 3.960 4.120 -0.020 0.000 0.246 266 V C 2.442 178.454 176.094 -0.135 0.000 1.046 266 V CA 1.460 63.619 62.300 -0.234 0.000 1.053 266 V CB -0.564 31.034 31.823 -0.375 0.000 0.679 266 V HN 0.554 nan 8.190 nan 0.000 0.458 267 L N -0.239 120.908 121.223 -0.127 0.000 2.141 267 L HA -0.125 4.203 4.340 -0.020 0.000 0.209 267 L C 1.948 178.786 176.870 -0.053 0.000 1.094 267 L CA 1.213 56.008 54.840 -0.075 0.000 0.763 267 L CB -0.592 41.428 42.059 -0.065 0.000 0.908 267 L HN 0.326 nan 8.230 nan 0.000 0.437 268 D N -0.058 120.306 120.400 -0.059 0.000 2.378 268 D HA -0.083 4.545 4.640 -0.020 0.000 0.227 268 D C 2.103 178.383 176.300 -0.033 0.000 1.012 268 D CA 0.484 54.459 54.000 -0.042 0.000 0.905 268 D CB 0.010 40.784 40.800 -0.042 0.000 0.895 268 D HN 0.158 nan 8.370 nan 0.000 0.532 269 R N 0.247 120.726 120.500 -0.035 0.000 2.189 269 R HA -0.028 4.300 4.340 -0.020 0.000 0.223 269 R C 1.489 177.783 176.300 -0.010 0.000 1.092 269 R CA 0.554 56.643 56.100 -0.019 0.000 0.989 269 R CB 0.023 30.313 30.300 -0.016 0.000 0.876 269 R HN 0.140 nan 8.270 nan 0.000 0.457 270 N N 0.734 119.427 118.700 -0.011 0.000 2.272 270 N HA -0.152 4.576 4.740 -0.020 0.000 0.185 270 N C 1.678 177.184 175.510 -0.007 0.000 1.014 270 N CA 0.980 54.029 53.050 -0.002 0.000 0.870 270 N CB -0.130 38.356 38.487 -0.000 0.000 0.975 270 N HN 0.249 nan 8.380 nan 0.000 0.433 271 L N 0.469 121.682 121.223 -0.016 0.000 2.017 271 L HA -0.113 4.215 4.340 -0.020 0.000 0.208 271 L C 2.306 179.154 176.870 -0.037 0.000 1.073 271 L CA 1.434 56.260 54.840 -0.023 0.000 0.745 271 L CB -0.675 41.369 42.059 -0.025 0.000 0.894 271 L HN 0.147 nan 8.230 nan 0.000 0.432 272 A N -0.389 122.411 122.820 -0.034 0.000 2.014 272 A HA -0.139 4.169 4.320 -0.020 0.000 0.218 272 A C 1.970 179.515 177.584 -0.066 0.000 1.163 272 A CA 1.037 53.043 52.037 -0.051 0.000 0.652 272 A CB -0.281 18.711 19.000 -0.012 0.000 0.808 272 A HN 0.466 nan 8.150 nan 0.000 0.449 273 E N -0.253 119.927 120.200 -0.034 0.000 2.478 273 E HA -0.022 4.316 4.350 -0.020 0.000 0.194 273 E C 0.912 177.493 176.600 -0.031 0.000 1.045 273 E CA -0.137 56.246 56.400 -0.028 0.000 0.868 273 E CB -0.029 29.680 29.700 0.015 0.000 0.885 273 E HN 0.414 nan 8.360 nan 0.000 0.505 274 N N 1.012 119.694 118.700 -0.030 0.000 2.453 274 N HA -0.049 4.679 4.740 -0.020 0.000 0.183 274 N C 1.538 177.039 175.510 -0.014 0.000 1.041 274 N CA 0.508 53.558 53.050 0.001 0.000 0.900 274 N CB 0.047 38.534 38.487 -0.001 0.000 0.961 274 N HN 0.240 nan 8.380 nan 0.000 0.443 275 I N 0.227 120.731 120.570 -0.111 0.000 2.151 275 I HA -0.271 3.887 4.170 -0.020 0.000 0.243 275 I C 1.268 177.327 176.117 -0.097 0.000 1.080 275 I CA 1.312 62.508 61.300 -0.173 0.000 1.339 275 I CB -0.267 37.469 38.000 -0.440 0.000 1.039 275 I HN 0.151 nan 8.210 nan 0.000 0.409 276 S N -0.301 115.329 115.700 -0.117 0.000 2.618 276 S HA 0.183 4.641 4.470 -0.020 0.000 0.242 276 S C 1.366 176.082 174.600 0.194 0.000 0.972 276 S CA -0.523 57.691 58.200 0.024 0.000 1.004 276 S CB 0.232 63.431 63.200 -0.001 0.000 0.778 276 S HN 0.254 nan 8.310 nan 0.000 0.459 277 R N 1.288 121.917 120.500 0.215 0.000 2.055 277 R HA 0.144 4.472 4.340 -0.020 0.000 0.228 277 R C 0.122 176.689 176.300 0.444 0.000 1.143 277 R CA 1.382 57.664 56.100 0.303 0.000 0.945 277 R CB -0.040 30.397 30.300 0.227 0.000 0.841 277 R HN 0.457 nan 8.270 nan 0.000 0.429 278 V N 0.629 120.744 119.914 0.335 0.000 2.876 278 V HA 0.344 4.452 4.120 -0.020 0.000 0.312 278 V C -0.881 175.204 176.094 -0.014 0.000 1.085 278 V CA -1.423 60.996 62.300 0.198 0.000 0.945 278 V CB 1.717 33.541 31.823 0.002 0.000 1.017 278 V HN 0.091 nan 8.190 nan 0.000 0.428 279 L N 3.266 124.244 121.223 -0.409 0.000 2.319 279 L HA 0.494 4.822 4.340 -0.020 0.000 0.280 279 L C -0.571 176.154 176.870 -0.241 0.000 1.099 279 L CA 0.179 54.550 54.840 -0.783 0.000 0.828 279 L CB 0.140 41.618 42.059 -0.969 0.000 1.150 279 L HN 0.627 nan 8.230 nan 0.000 0.442 280 Y N 7.010 127.245 120.300 -0.107 0.000 2.569 280 Y HA 0.179 4.717 4.550 -0.020 0.000 0.332 280 Y C -1.325 174.574 175.900 -0.002 0.000 1.120 280 Y CA -1.082 57.015 58.100 -0.005 0.000 1.416 280 Y CB 0.417 38.897 38.460 0.034 0.000 1.210 280 Y HN 0.586 nan 8.280 nan 0.000 0.528 281 P HA -0.034 nan 4.420 nan 0.000 0.259 281 P C -1.044 176.386 177.300 0.216 0.000 1.480 281 P CA 0.266 63.475 63.100 0.182 0.000 0.842 281 P CB -0.217 31.676 31.700 0.321 0.000 1.513 282 N N 1.049 119.886 118.700 0.228 0.000 2.414 282 N HA 0.182 4.910 4.740 -0.020 0.000 0.256 282 N C -0.667 174.990 175.510 0.246 0.000 1.029 282 N CA -0.376 52.827 53.050 0.256 0.000 0.948 282 N CB 0.543 39.219 38.487 0.314 0.000 1.102 282 N HN 0.006 nan 8.380 nan 0.000 0.496 283 D N 1.810 122.380 120.400 0.282 0.000 2.349 283 D HA 0.164 4.792 4.640 -0.020 0.000 0.232 283 D C -0.345 176.233 176.300 0.464 0.000 1.071 283 D CA -0.368 53.831 54.000 0.333 0.000 0.832 283 D CB 0.350 41.362 40.800 0.354 0.000 1.086 283 D HN 0.407 nan 8.370 nan 0.000 0.504 284 N N 3.121 122.028 118.700 0.344 0.000 2.756 284 N HA -0.235 4.493 4.740 -0.020 0.000 0.248 284 N C -1.475 174.284 175.510 0.415 0.000 1.062 284 N CA 0.578 53.812 53.050 0.306 0.000 0.696 284 N CB -0.758 37.847 38.487 0.195 0.000 0.946 284 N HN 0.408 nan 8.380 nan 0.000 0.548 285 F N 0.860 120.908 119.950 0.163 0.000 2.639 285 F HA 0.418 4.933 4.527 -0.020 0.000 0.320 285 F C -1.494 174.381 175.800 0.124 0.000 1.128 285 F CA -1.040 57.026 58.000 0.111 0.000 1.037 285 F CB 0.740 39.756 39.000 0.027 0.000 1.288 285 F HN -0.046 nan 8.300 nan 0.000 0.463 286 F N 5.923 125.411 119.950 -0.770 0.000 2.410 286 F HA 0.525 5.040 4.527 -0.020 0.000 0.349 286 F C -0.544 174.748 175.800 -0.846 0.000 1.117 286 F CA -0.231 57.377 58.000 -0.653 0.000 1.104 286 F CB 0.918 39.605 39.000 -0.522 0.000 1.122 286 F HN 0.581 nan 8.300 nan 0.000 0.483 287 E N 3.826 123.281 120.200 -1.241 0.000 2.216 287 E HA 0.359 4.697 4.350 -0.020 0.000 0.260 287 E C -0.241 175.551 176.600 -1.347 0.000 0.880 287 E CA -0.705 55.120 56.400 -0.960 0.000 0.765 287 E CB 1.230 30.741 29.700 -0.315 0.000 1.174 287 E HN 0.925 nan 8.360 nan 0.000 0.417 288 G N 5.193 113.217 108.800 -1.293 0.000 3.316 288 G HA2 0.033 3.981 3.960 -0.020 0.000 0.255 288 G HA3 0.033 3.981 3.960 -0.020 0.000 0.255 288 G C 0.006 174.861 174.900 -0.074 0.000 0.880 288 G CA -0.231 44.356 45.100 -0.854 0.000 1.956 288 G HN 0.200 nan 8.290 nan 0.000 0.634 289 K N 0.613 120.974 120.400 -0.065 0.000 2.205 289 K HA 0.133 4.441 4.320 -0.020 0.000 0.279 289 K C 0.999 177.691 176.600 0.155 0.000 1.027 289 K CA -0.492 55.830 56.287 0.059 0.000 0.932 289 K CB 2.173 34.688 32.500 0.024 0.000 1.032 289 K HN 0.484 nan 8.250 nan 0.000 0.466 290 E N 2.167 122.441 120.200 0.124 0.000 2.118 290 E HA -0.210 4.128 4.350 -0.020 0.000 0.195 290 E C 1.486 178.092 176.600 0.010 0.000 0.992 290 E CA 0.918 57.342 56.400 0.040 0.000 0.804 290 E CB 0.170 29.905 29.700 0.058 0.000 0.741 290 E HN 0.418 nan 8.360 nan 0.000 0.458 291 L N 1.274 122.550 121.223 0.088 0.000 2.131 291 L HA -0.153 4.175 4.340 -0.020 0.000 0.210 291 L C 2.376 179.331 176.870 0.142 0.000 1.092 291 L CA 1.721 56.635 54.840 0.123 0.000 0.759 291 L CB -0.460 41.741 42.059 0.237 0.000 0.903 291 L HN 0.007 nan 8.230 nan 0.000 0.435 292 R N -0.617 119.913 120.500 0.049 0.000 2.073 292 R HA -0.122 4.206 4.340 -0.020 0.000 0.229 292 R C 2.090 178.424 176.300 0.056 0.000 1.120 292 R CA 1.725 57.810 56.100 -0.026 0.000 0.967 292 R CB -0.974 29.111 30.300 -0.357 0.000 0.862 292 R HN 0.400 nan 8.270 nan 0.000 0.436 293 L N 0.959 122.106 121.223 -0.126 0.000 2.083 293 L HA -0.077 4.251 4.340 -0.020 0.000 0.209 293 L C 1.650 178.458 176.870 -0.103 0.000 1.083 293 L CA 1.896 56.469 54.840 -0.445 0.000 0.752 293 L CB -0.406 41.072 42.059 -0.967 0.000 0.899 293 L HN 0.162 nan 8.230 nan 0.000 0.433 294 K N -0.959 119.433 120.400 -0.015 0.000 2.026 294 K HA -0.189 4.119 4.320 -0.020 0.000 0.208 294 K C 2.073 178.829 176.600 0.259 0.000 1.048 294 K CA 1.849 58.212 56.287 0.125 0.000 0.929 294 K CB -0.220 32.188 32.500 -0.153 0.000 0.713 294 K HN 0.495 nan 8.250 nan 0.000 0.439 295 Q N 0.674 120.588 119.800 0.191 0.000 2.096 295 Q HA -0.204 4.124 4.340 -0.020 0.000 0.204 295 Q C 1.973 178.160 176.000 0.311 0.000 0.982 295 Q CA 1.501 57.465 55.803 0.267 0.000 0.850 295 Q CB -0.057 28.861 28.738 0.301 0.000 0.901 295 Q HN 0.390 nan 8.270 nan 0.000 0.422 296 E N -0.178 120.167 120.200 0.242 0.000 2.051 296 E HA -0.206 4.132 4.350 -0.020 0.000 0.192 296 E C 1.766 178.479 176.600 0.188 0.000 0.991 296 E CA 1.012 57.542 56.400 0.216 0.000 0.799 296 E CB -0.149 29.663 29.700 0.187 0.000 0.748 296 E HN 0.318 nan 8.360 nan 0.000 0.449 297 Y N 0.564 120.902 120.300 0.065 0.000 2.200 297 Y HA -0.224 4.314 4.550 -0.020 0.000 0.290 297 Y C 1.963 177.894 175.900 0.051 0.000 1.137 297 Y CA 1.012 59.100 58.100 -0.018 0.000 1.163 297 Y CB -0.471 37.938 38.460 -0.085 0.000 0.988 297 Y HN 0.014 nan 8.280 nan 0.000 0.518 298 F N -0.130 119.778 119.950 -0.071 0.000 2.043 298 F HA -0.282 4.233 4.527 -0.020 0.000 0.297 298 F C 2.568 178.201 175.800 -0.279 0.000 1.121 298 F CA 2.242 60.161 58.000 -0.136 0.000 1.199 298 F CB -1.178 37.887 39.000 0.110 0.000 0.968 298 F HN -0.074 nan 8.300 nan 0.000 0.478 299 V N -0.378 119.503 119.914 -0.056 0.000 2.490 299 V HA -0.194 3.914 4.120 -0.020 0.000 0.250 299 V C 2.084 178.045 176.094 -0.220 0.000 1.061 299 V CA 1.894 64.129 62.300 -0.108 0.000 1.064 299 V CB -0.422 31.532 31.823 0.219 0.000 0.670 299 V HN 0.287 nan 8.190 nan 0.000 0.461 300 V N 0.326 120.102 119.914 -0.230 0.000 2.283 300 V HA -0.098 4.010 4.120 -0.020 0.000 0.243 300 V C 2.823 178.672 176.094 -0.408 0.000 1.039 300 V CA 1.948 64.105 62.300 -0.238 0.000 1.016 300 V CB -1.043 30.705 31.823 -0.124 0.000 0.650 300 V HN 0.634 nan 8.190 nan 0.000 0.449 301 A N 0.130 122.543 122.820 -0.678 0.000 1.865 301 A HA -0.195 4.113 4.320 -0.020 0.000 0.217 301 A C 2.423 179.646 177.584 -0.602 0.000 1.191 301 A CA 2.494 54.133 52.037 -0.664 0.000 0.623 301 A CB -1.016 17.384 19.000 -1.001 0.000 0.826 301 A HN 0.580 nan 8.150 nan 0.000 0.444 302 A N -1.216 121.077 122.820 -0.877 0.000 1.858 302 A HA -0.111 4.197 4.320 -0.020 0.000 0.216 302 A C 2.326 179.434 177.584 -0.794 0.000 1.190 302 A CA 2.441 53.769 52.037 -1.181 0.000 0.617 302 A CB -1.459 16.143 19.000 -2.330 0.000 0.827 302 A HN 0.448 nan 8.150 nan 0.000 0.443 303 T N 0.341 114.553 114.554 -0.569 0.000 2.720 303 T HA -0.127 4.211 4.350 -0.020 0.000 0.268 303 T C 1.791 176.193 174.700 -0.497 0.000 1.037 303 T CA 1.553 63.414 62.100 -0.398 0.000 1.144 303 T CB -0.368 68.281 68.868 -0.364 0.000 0.864 303 T HN 0.342 nan 8.240 nan 0.000 0.444 304 L N 0.401 121.397 121.223 -0.377 0.000 2.141 304 L HA -0.096 4.232 4.340 -0.020 0.000 0.209 304 L C 2.877 179.616 176.870 -0.218 0.000 1.094 304 L CA 1.198 55.870 54.840 -0.281 0.000 0.763 304 L CB -0.383 41.554 42.059 -0.202 0.000 0.908 304 L HN 0.332 nan 8.230 nan 0.000 0.437 305 Q N -0.548 119.116 119.800 -0.227 0.000 2.046 305 Q HA -0.249 4.079 4.340 -0.020 0.000 0.200 305 Q C 1.760 177.692 176.000 -0.113 0.000 0.975 305 Q CA 1.775 57.491 55.803 -0.146 0.000 0.836 305 Q CB -0.067 28.570 28.738 -0.168 0.000 0.896 305 Q HN 0.352 nan 8.270 nan 0.000 0.428 306 D N 0.426 120.745 120.400 -0.135 0.000 2.178 306 D HA -0.111 4.517 4.640 -0.020 0.000 0.201 306 D C 1.591 177.783 176.300 -0.179 0.000 0.980 306 D CA 0.850 54.782 54.000 -0.114 0.000 0.842 306 D CB -0.000 40.845 40.800 0.075 0.000 0.948 306 D HN 0.182 nan 8.370 nan 0.000 0.472 307 I N -0.063 120.325 120.570 -0.302 0.000 2.252 307 I HA -0.195 3.963 4.170 -0.020 0.000 0.245 307 I C 2.218 178.331 176.117 -0.008 0.000 1.102 307 I CA 0.648 61.723 61.300 -0.375 0.000 1.385 307 I CB -0.032 37.592 38.000 -0.628 0.000 1.064 307 I HN 0.038 nan 8.210 nan 0.000 0.414 308 I N 0.259 120.882 120.570 0.087 0.000 2.394 308 I HA -0.256 3.902 4.170 -0.020 0.000 0.251 308 I C 2.726 179.003 176.117 0.266 0.000 1.136 308 I CA 0.912 62.387 61.300 0.292 0.000 1.425 308 I CB -0.403 37.719 38.000 0.205 0.000 1.079 308 I HN 0.211 nan 8.210 nan 0.000 0.425 309 R N 1.509 122.077 120.500 0.113 0.000 2.082 309 R HA -0.220 4.108 4.340 -0.020 0.000 0.234 309 R C 2.484 178.845 176.300 0.101 0.000 1.136 309 R CA 1.769 57.919 56.100 0.084 0.000 0.935 309 R CB -0.364 29.939 30.300 0.005 0.000 0.842 309 R HN 0.176 nan 8.270 nan 0.000 0.430 310 R N -0.570 119.974 120.500 0.074 0.000 2.127 310 R HA -0.187 4.141 4.340 -0.020 0.000 0.238 310 R C 2.171 178.573 176.300 0.169 0.000 1.134 310 R CA 1.810 57.973 56.100 0.105 0.000 0.975 310 R CB -0.366 29.971 30.300 0.061 0.000 0.865 310 R HN 0.348 nan 8.270 nan 0.000 0.447 311 F N 1.202 121.187 119.950 0.058 0.000 2.163 311 F HA -0.065 4.450 4.527 -0.020 0.000 0.297 311 F C 1.730 177.544 175.800 0.024 0.000 1.094 311 F CA 1.378 59.410 58.000 0.054 0.000 1.290 311 F CB -0.003 39.089 39.000 0.153 0.000 1.017 311 F HN -0.163 nan 8.300 nan 0.000 0.483 312 K N -0.076 120.297 120.400 -0.045 0.000 2.097 312 K HA -0.014 4.294 4.320 -0.020 0.000 0.205 312 K C 0.794 177.317 176.600 -0.128 0.000 1.050 312 K CA 1.129 57.305 56.287 -0.184 0.000 0.938 312 K CB -0.338 32.164 32.500 0.004 0.000 0.718 312 K HN 0.087 nan 8.250 nan 0.000 0.442 313 S N 1.951 117.647 115.700 -0.008 0.000 3.869 313 S HA 0.125 4.583 4.470 -0.020 0.000 0.241 313 S C -0.399 174.264 174.600 0.104 0.000 1.363 313 S CA -0.231 58.011 58.200 0.070 0.000 0.894 313 S CB 0.085 63.365 63.200 0.134 0.000 1.519 313 S HN 0.376 nan 8.310 nan 0.000 0.470 326 F N 2.075 122.164 119.950 0.231 0.000 2.802 326 F HA 0.120 4.635 4.527 -0.020 0.000 0.300 326 F C 1.618 177.508 175.800 0.150 0.000 1.168 326 F CA 0.431 58.547 58.000 0.193 0.000 1.433 326 F CB -0.044 38.947 39.000 -0.014 0.000 1.115 326 F HN 0.277 nan 8.300 nan 0.000 0.582 327 D N 0.419 120.976 120.400 0.261 0.000 2.117 327 D HA -0.157 4.471 4.640 -0.020 0.000 0.197 327 D C 2.293 178.701 176.300 0.179 0.000 0.987 327 D CA 1.382 55.488 54.000 0.177 0.000 0.829 327 D CB -0.285 40.589 40.800 0.124 0.000 0.961 327 D HN 0.220 nan 8.370 nan 0.000 0.460 328 A N -0.550 122.400 122.820 0.217 0.000 2.206 328 A HA -0.024 4.284 4.320 -0.020 0.000 0.211 328 A C 1.765 179.497 177.584 0.247 0.000 1.158 328 A CA -0.003 52.159 52.037 0.209 0.000 0.761 328 A CB -0.781 18.338 19.000 0.199 0.000 0.801 328 A HN 0.157 nan 8.150 nan 0.000 0.473 329 F N 1.846 121.823 119.950 0.044 0.000 2.063 329 F HA -0.160 4.355 4.527 -0.020 0.000 0.298 329 F C -0.682 175.057 175.800 -0.102 0.000 1.109 329 F CA 2.528 60.374 58.000 -0.257 0.000 1.212 329 F CB -0.950 37.858 39.000 -0.320 0.000 0.973 329 F HN 0.207 nan 8.300 nan 0.000 0.480 330 P HA -0.109 nan 4.420 nan 0.000 0.222 330 P C 0.872 178.132 177.300 -0.066 0.000 1.147 330 P CA 1.656 64.734 63.100 -0.038 0.000 0.790 330 P CB -0.117 31.583 31.700 0.000 0.000 0.780 331 D N -0.504 119.880 120.400 -0.026 0.000 2.277 331 D HA -0.054 4.574 4.640 -0.020 0.000 0.208 331 D C 1.476 177.759 176.300 -0.027 0.000 0.962 331 D CA 0.962 54.955 54.000 -0.012 0.000 0.865 331 D CB -0.051 40.763 40.800 0.022 0.000 0.939 331 D HN 0.303 nan 8.370 nan 0.000 0.510 332 K N 0.030 120.394 120.400 -0.061 0.000 2.380 332 K HA 0.194 4.502 4.320 -0.020 0.000 0.198 332 K C 0.196 176.700 176.600 -0.161 0.000 1.070 332 K CA 0.126 56.378 56.287 -0.058 0.000 1.040 332 K CB 2.275 34.827 32.500 0.087 0.000 0.903 332 K HN -0.054 nan 8.250 nan 0.000 0.549 333 V N 1.166 120.893 119.914 -0.312 0.000 2.735 333 V HA 0.627 4.735 4.120 -0.020 0.000 0.310 333 V C -1.045 174.960 176.094 -0.149 0.000 1.061 333 V CA -1.145 60.972 62.300 -0.305 0.000 0.913 333 V CB 1.787 33.118 31.823 -0.819 0.000 1.005 333 V HN 0.150 nan 8.190 nan 0.000 0.428 334 A N 5.149 127.929 122.820 -0.066 0.000 2.385 334 A HA 0.870 5.178 4.320 -0.020 0.000 0.290 334 A C -1.092 176.516 177.584 0.040 0.000 1.094 334 A CA -0.330 51.696 52.037 -0.019 0.000 0.729 334 A CB 0.844 19.747 19.000 -0.163 0.000 1.194 334 A HN 0.755 nan 8.150 nan 0.000 0.442 335 I N 1.950 122.597 120.570 0.128 0.000 2.355 335 I HA 0.322 4.480 4.170 -0.020 0.000 0.288 335 I C -0.182 176.022 176.117 0.144 0.000 0.999 335 I CA -0.445 60.944 61.300 0.149 0.000 1.163 335 I CB 1.901 39.974 38.000 0.122 0.000 1.316 335 I HN 0.701 nan 8.210 nan 0.000 0.454 336 Q N 7.158 127.031 119.800 0.122 0.000 2.347 336 Q HA 0.494 4.822 4.340 -0.020 0.000 0.262 336 Q C -1.370 174.618 176.000 -0.021 0.000 0.980 336 Q CA -0.320 55.577 55.803 0.156 0.000 0.867 336 Q CB 1.223 30.153 28.738 0.320 0.000 1.242 336 Q HN 0.562 nan 8.270 nan 0.000 0.453 337 L N 3.660 124.924 121.223 0.067 0.000 2.283 337 L HA 0.384 4.712 4.340 -0.020 0.000 0.287 337 L C 0.203 177.123 176.870 0.084 0.000 1.073 337 L CA -0.692 54.184 54.840 0.060 0.000 0.822 337 L CB 0.451 42.593 42.059 0.138 0.000 1.186 337 L HN 0.558 nan 8.230 nan 0.000 0.436 338 N N 4.625 123.298 118.700 -0.046 0.000 2.508 338 N HA 0.058 4.786 4.740 -0.020 0.000 0.253 338 N C -0.165 175.400 175.510 0.093 0.000 1.145 338 N CA 0.555 53.654 53.050 0.082 0.000 0.973 338 N CB -0.195 38.268 38.487 -0.041 0.000 1.305 338 N HN 0.673 nan 8.380 nan 0.000 0.506 339 D N -0.323 120.243 120.400 0.276 0.000 4.348 339 D HA -0.209 4.419 4.640 -0.020 0.000 0.289 339 D C 0.174 176.566 176.300 0.152 0.000 2.184 339 D CA 1.411 55.541 54.000 0.217 0.000 1.217 339 D CB -0.624 39.949 40.800 -0.379 0.000 0.994 339 D HN 0.472 nan 8.370 nan 0.000 1.193 340 T N -2.358 112.191 114.554 -0.009 0.000 3.107 340 T HA 0.162 4.500 4.350 -0.020 0.000 0.249 340 T C 1.588 176.365 174.700 0.128 0.000 1.096 340 T CA 1.175 63.247 62.100 -0.048 0.000 1.012 340 T CB -0.468 68.337 68.868 -0.105 0.000 0.977 340 T HN 0.478 nan 8.240 nan 0.000 0.527 341 H N 2.686 121.848 119.070 0.155 0.000 2.319 341 H HA -0.019 4.525 4.556 -0.020 0.000 0.297 341 H C -0.817 174.608 175.328 0.163 0.000 1.097 341 H CA 1.101 57.262 56.048 0.188 0.000 1.285 341 H CB -0.875 29.000 29.762 0.188 0.000 1.368 341 H HN 0.416 nan 8.280 nan 0.000 0.495 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.625 177.976 177.300 0.085 0.000 1.620 342 P CA 0.348 63.537 63.100 0.149 0.000 1.050 342 P CB 0.305 32.083 31.700 0.130 0.000 1.539 343 S N -0.392 115.350 115.700 0.070 0.000 2.442 343 S HA -0.099 4.359 4.470 -0.020 0.000 0.236 343 S C 1.791 176.400 174.600 0.015 0.000 1.007 343 S CA 0.614 58.815 58.200 0.003 0.000 0.965 343 S CB -1.432 61.736 63.200 -0.054 0.000 0.773 343 S HN 0.136 nan 8.310 nan 0.000 0.504 344 L N 1.040 122.286 121.223 0.038 0.000 2.450 344 L HA -0.032 4.296 4.340 -0.020 0.000 0.224 344 L C 2.906 179.812 176.870 0.059 0.000 1.149 344 L CA 0.715 55.572 54.840 0.029 0.000 0.816 344 L CB -0.717 41.354 42.059 0.020 0.000 0.932 344 L HN 0.485 nan 8.230 nan 0.000 0.449 345 A N 0.286 123.127 122.820 0.036 0.000 1.972 345 A HA -0.187 4.121 4.320 -0.020 0.000 0.219 345 A C 2.174 179.764 177.584 0.010 0.000 1.169 345 A CA 1.433 53.479 52.037 0.014 0.000 0.635 345 A CB -0.449 18.552 19.000 0.001 0.000 0.810 345 A HN 0.378 nan 8.150 nan 0.000 0.446 346 I N 0.214 120.794 120.570 0.017 0.000 2.163 346 I HA -0.127 4.031 4.170 -0.020 0.000 0.240 346 I C -0.358 175.790 176.117 0.051 0.000 1.081 346 I CA 1.444 62.757 61.300 0.022 0.000 1.353 346 I CB -0.747 37.275 38.000 0.037 0.000 1.054 346 I HN 0.252 nan 8.210 nan 0.000 0.407 347 P HA -0.154 nan 4.420 nan 0.000 0.220 347 P C 1.309 178.619 177.300 0.018 0.000 1.152 347 P CA 1.421 64.553 63.100 0.053 0.000 0.812 347 P CB 0.052 31.803 31.700 0.084 0.000 0.792 348 E N 0.432 120.713 120.200 0.135 0.000 2.077 348 E HA -0.166 4.172 4.350 -0.020 0.000 0.193 348 E C 1.935 178.515 176.600 -0.034 0.000 0.989 348 E CA 0.801 57.297 56.400 0.161 0.000 0.800 348 E CB -1.272 28.577 29.700 0.248 0.000 0.746 348 E HN 0.003 nan 8.360 nan 0.000 0.452 349 L N -0.123 121.053 121.223 -0.077 0.000 2.131 349 L HA -0.084 4.244 4.340 -0.020 0.000 0.210 349 L C 2.073 178.793 176.870 -0.251 0.000 1.092 349 L CA 1.652 56.385 54.840 -0.178 0.000 0.759 349 L CB -0.419 41.541 42.059 -0.165 0.000 0.903 349 L HN 0.251 nan 8.230 nan 0.000 0.435 350 M N -1.000 118.471 119.600 -0.215 0.000 2.123 350 M HA -0.156 4.312 4.480 -0.020 0.000 0.263 350 M C 2.407 178.515 176.300 -0.319 0.000 1.069 350 M CA 1.392 56.503 55.300 -0.314 0.000 1.133 350 M CB -1.086 31.312 32.600 -0.336 0.000 1.356 350 M HN 0.308 nan 8.290 nan 0.000 0.415 351 R N 0.152 120.492 120.500 -0.267 0.000 2.096 351 R HA -0.153 4.175 4.340 -0.020 0.000 0.240 351 R C 2.016 178.188 176.300 -0.213 0.000 1.139 351 R CA 1.845 57.786 56.100 -0.264 0.000 0.952 351 R CB -0.248 29.841 30.300 -0.351 0.000 0.854 351 R HN 0.204 nan 8.270 nan 0.000 0.436 352 V N 1.301 121.091 119.914 -0.207 0.000 2.295 352 V HA -0.245 3.863 4.120 -0.020 0.000 0.246 352 V C 2.408 178.323 176.094 -0.299 0.000 1.049 352 V CA 1.721 63.895 62.300 -0.210 0.000 1.024 352 V CB -0.398 31.300 31.823 -0.209 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.707 120.274 121.223 -0.404 0.000 2.093 353 L HA -0.117 4.211 4.340 -0.020 0.000 0.208 353 L C 2.358 179.025 176.870 -0.338 0.000 1.085 353 L CA 1.029 55.562 54.840 -0.512 0.000 0.755 353 L CB -0.476 41.239 42.059 -0.574 0.000 0.904 353 L HN 0.203 nan 8.230 nan 0.000 0.435 354 V N -0.703 119.052 119.914 -0.265 0.000 2.300 354 V HA -0.170 3.938 4.120 -0.020 0.000 0.241 354 V C 1.995 178.032 176.094 -0.095 0.000 1.034 354 V CA 1.567 63.775 62.300 -0.154 0.000 1.021 354 V CB -0.306 31.442 31.823 -0.124 0.000 0.662 354 V HN 0.334 nan 8.190 nan 0.000 0.458 355 D N 0.291 120.628 120.400 -0.104 0.000 2.097 355 D HA -0.064 4.564 4.640 -0.020 0.000 0.197 355 D C 2.071 178.332 176.300 -0.065 0.000 0.984 355 D CA 1.406 55.363 54.000 -0.071 0.000 0.826 355 D CB -0.098 40.652 40.800 -0.083 0.000 0.973 355 D HN 0.329 nan 8.370 nan 0.000 0.460 356 L N 0.259 121.428 121.223 -0.090 0.000 2.200 356 L HA 0.095 4.423 4.340 -0.020 0.000 0.200 356 L C 1.857 178.688 176.870 -0.064 0.000 1.072 356 L CA 0.591 55.391 54.840 -0.067 0.000 0.787 356 L CB -0.190 41.828 42.059 -0.067 0.000 0.957 356 L HN -0.176 nan 8.230 nan 0.000 0.459 357 E N 0.395 120.518 120.200 -0.128 0.000 2.489 357 E HA 0.009 4.347 4.350 -0.020 0.000 0.193 357 E C 0.093 176.651 176.600 -0.070 0.000 1.057 357 E CA -0.076 56.259 56.400 -0.109 0.000 0.866 357 E CB 0.207 29.712 29.700 -0.324 0.000 0.916 357 E HN 0.184 nan 8.360 nan 0.000 0.500 358 R N 0.274 120.731 120.500 -0.072 0.000 3.516 358 R HA -0.178 4.150 4.340 -0.020 0.000 0.271 358 R C -0.050 176.232 176.300 -0.028 0.000 1.098 358 R CA 0.452 56.533 56.100 -0.033 0.000 0.732 358 R CB -2.731 27.570 30.300 0.001 0.000 1.152 358 R HN 0.238 nan 8.270 nan 0.000 0.455 359 L N 0.747 121.923 121.223 -0.079 0.000 2.418 359 L HA 0.232 4.560 4.340 -0.020 0.000 0.265 359 L C 1.436 178.295 176.870 -0.017 0.000 1.143 359 L CA -0.376 54.431 54.840 -0.055 0.000 0.809 359 L CB 0.597 42.578 42.059 -0.129 0.000 1.124 359 L HN 0.126 nan 8.230 nan 0.000 0.456 360 D N 1.070 121.486 120.400 0.027 0.000 2.399 360 D HA -0.143 4.485 4.640 -0.020 0.000 0.241 360 D C 0.821 177.184 176.300 0.105 0.000 1.133 360 D CA -0.365 53.684 54.000 0.082 0.000 0.890 360 D CB 1.131 41.984 40.800 0.089 0.000 1.201 360 D HN 0.627 nan 8.370 nan 0.000 0.432 361 W N 3.704 125.008 121.300 0.006 0.000 2.317 361 W HA -0.233 4.415 4.660 -0.020 0.000 0.318 361 W C 1.162 177.727 176.519 0.078 0.000 1.227 361 W CA 1.788 59.143 57.345 0.016 0.000 1.269 361 W CB -0.287 29.163 29.460 -0.016 0.000 1.155 361 W HN 0.553 nan 8.180 nan 0.000 0.484 362 D N 0.284 120.909 120.400 0.374 0.000 2.144 362 D HA -0.194 4.434 4.640 -0.020 0.000 0.200 362 D C 1.889 178.305 176.300 0.195 0.000 0.978 362 D CA 1.927 56.123 54.000 0.327 0.000 0.833 362 D CB -0.365 40.595 40.800 0.266 0.000 0.961 362 D HN 0.134 nan 8.370 nan 0.000 0.470 363 K N 1.708 122.176 120.400 0.114 0.000 2.057 363 K HA -0.015 4.293 4.320 -0.020 0.000 0.206 363 K C 1.847 178.450 176.600 0.005 0.000 1.050 363 K CA 1.496 57.821 56.287 0.064 0.000 0.935 363 K CB -0.503 32.028 32.500 0.052 0.000 0.715 363 K HN -0.022 nan 8.250 nan 0.000 0.439 364 A N 0.655 123.438 122.820 -0.062 0.000 1.902 364 A HA -0.157 4.151 4.320 -0.020 0.000 0.217 364 A C 2.276 179.782 177.584 -0.129 0.000 1.181 364 A CA 1.392 53.322 52.037 -0.177 0.000 0.623 364 A CB -1.260 17.555 19.000 -0.307 0.000 0.818 364 A HN 0.683 nan 8.150 nan 0.000 0.443 365 W N 1.008 122.124 121.300 -0.305 0.000 2.358 365 W HA -0.216 4.432 4.660 -0.020 0.000 0.303 365 W C 2.104 178.582 176.519 -0.069 0.000 1.208 365 W CA 1.912 59.133 57.345 -0.208 0.000 1.274 365 W CB -0.087 29.315 29.460 -0.097 0.000 1.138 365 W HN 0.677 nan 8.180 nan 0.000 0.515 366 E N 0.334 120.526 120.200 -0.014 0.000 2.038 366 E HA -0.252 4.086 4.350 -0.020 0.000 0.195 366 E C 1.949 178.463 176.600 -0.144 0.000 1.000 366 E CA 2.362 58.713 56.400 -0.083 0.000 0.803 366 E CB -0.712 28.999 29.700 0.018 0.000 0.750 366 E HN 0.064 nan 8.360 nan 0.000 0.448 367 V N 1.311 121.166 119.914 -0.098 0.000 2.252 367 V HA -0.318 3.790 4.120 -0.020 0.000 0.249 367 V C 2.536 178.564 176.094 -0.110 0.000 1.056 367 V CA 2.393 64.655 62.300 -0.064 0.000 1.022 367 V CB -1.054 30.731 31.823 -0.064 0.000 0.641 367 V HN 0.456 nan 8.190 nan 0.000 0.445 368 T N 0.037 114.453 114.554 -0.231 0.000 2.652 368 T HA -0.202 4.136 4.350 -0.020 0.000 0.267 368 T C 1.927 176.440 174.700 -0.311 0.000 1.039 368 T CA 1.880 63.815 62.100 -0.275 0.000 1.153 368 T CB -0.390 68.254 68.868 -0.374 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.428 369 V N 1.389 120.984 119.914 -0.532 0.000 2.332 369 V HA -0.191 3.917 4.120 -0.020 0.000 0.248 369 V C 2.379 178.437 176.094 -0.061 0.000 1.055 369 V CA 1.679 63.752 62.300 -0.379 0.000 1.038 369 V CB -0.528 31.014 31.823 -0.468 0.000 0.651 369 V HN 0.463 nan 8.190 nan 0.000 0.450 370 K N -0.515 119.823 120.400 -0.104 0.000 2.360 370 K HA -0.109 4.199 4.320 -0.020 0.000 0.201 370 K C 2.063 178.631 176.600 -0.053 0.000 1.046 370 K CA 1.603 57.811 56.287 -0.132 0.000 0.945 370 K CB -0.195 32.230 32.500 -0.125 0.000 0.750 370 K HN 0.498 nan 8.250 nan 0.000 0.464 371 T N -0.008 114.581 114.554 0.058 0.000 2.983 371 T HA 0.036 4.374 4.350 -0.020 0.000 0.250 371 T C 0.916 175.734 174.700 0.196 0.000 1.037 371 T CA 0.314 62.487 62.100 0.120 0.000 1.142 371 T CB 0.126 69.094 68.868 0.166 0.000 0.876 371 T HN 0.170 nan 8.240 nan 0.000 0.455 372 C N 2.218 121.609 119.300 0.152 0.000 2.398 372 C HA 0.885 5.333 4.460 -0.020 0.000 0.364 372 C C 0.541 175.575 174.990 0.073 0.000 1.219 372 C CA -1.276 57.810 59.018 0.114 0.000 2.312 372 C CB 0.149 27.901 27.740 0.022 0.000 2.428 372 C HN 0.594 nan 8.230 nan 0.000 0.564 373 A N 1.403 124.257 122.820 0.057 0.000 2.488 373 A HA 0.677 4.985 4.320 -0.020 0.000 0.298 373 A C -1.521 176.127 177.584 0.106 0.000 1.044 373 A CA -0.356 51.656 52.037 -0.042 0.000 0.693 373 A CB 0.942 19.925 19.000 -0.028 0.000 1.272 373 A HN 0.907 nan 8.150 nan 0.000 0.402 374 Y N 1.298 121.546 120.300 -0.086 0.000 2.409 374 Y HA 0.729 5.268 4.550 -0.020 0.000 0.339 374 Y C -0.405 175.492 175.900 -0.005 0.000 1.033 374 Y CA -0.683 57.389 58.100 -0.046 0.000 1.094 374 Y CB 2.000 40.395 38.460 -0.109 0.000 1.210 374 Y HN 0.541 nan 8.280 nan 0.000 0.456 375 T N 6.976 121.326 114.554 -0.340 0.000 2.786 375 T HA 0.235 4.573 4.350 -0.020 0.000 0.283 375 T C -0.767 173.473 174.700 -0.765 0.000 0.992 375 T CA -0.835 60.992 62.100 -0.455 0.000 0.954 375 T CB 0.270 69.118 68.868 -0.033 0.000 0.934 375 T HN 0.672 nan 8.240 nan 0.000 0.440 376 N N 1.722 119.974 118.700 -0.748 0.000 2.479 376 N HA 0.147 4.875 4.740 -0.020 0.000 0.285 376 N C 0.092 175.448 175.510 -0.257 0.000 1.075 376 N CA -0.321 52.545 53.050 -0.307 0.000 0.967 376 N CB 0.800 39.287 38.487 0.001 0.000 1.137 376 N HN 0.670 nan 8.380 nan 0.000 0.472 377 H N 0.851 119.956 119.070 0.059 0.000 2.893 377 H HA 0.163 4.707 4.556 -0.020 0.000 0.270 377 H C -0.057 175.158 175.328 -0.189 0.000 1.095 377 H CA 0.015 56.027 56.048 -0.060 0.000 1.186 377 H CB 1.238 30.990 29.762 -0.016 0.000 1.562 377 H HN 0.510 nan 8.280 nan 0.000 0.536 378 T N -0.671 113.883 114.554 -0.000 0.000 2.739 378 T HA 0.331 4.669 4.350 -0.020 0.000 0.303 378 T C -0.257 174.459 174.700 0.028 0.000 1.389 378 T CA -0.323 61.732 62.100 -0.074 0.000 1.001 378 T CB 1.792 70.622 68.868 -0.062 0.000 1.436 378 T HN -0.131 nan 8.240 nan 0.000 0.500 379 V N 1.544 121.435 119.914 -0.038 0.000 3.451 379 V HA 0.461 4.569 4.120 -0.020 0.000 0.288 379 V C 0.221 176.286 176.094 -0.049 0.000 1.502 379 V CA -0.150 62.127 62.300 -0.037 0.000 1.026 379 V CB 0.182 31.994 31.823 -0.017 0.000 0.840 379 V HN 0.666 nan 8.190 nan 0.000 0.437 380 L N 3.179 124.363 121.223 -0.063 0.000 2.410 380 L HA 0.191 4.519 4.340 -0.020 0.000 0.273 380 L C -0.724 176.151 176.870 0.008 0.000 1.144 380 L CA -0.985 53.843 54.840 -0.021 0.000 0.863 380 L CB 0.370 42.405 42.059 -0.039 0.000 1.140 380 L HN 0.109 nan 8.230 nan 0.000 0.463 381 P HA -0.226 nan 4.420 nan 0.000 0.215 381 P C 1.036 178.343 177.300 0.011 0.000 1.153 381 P CA 1.328 64.435 63.100 0.012 0.000 0.853 381 P CB 0.028 31.739 31.700 0.018 0.000 0.788 382 E N 0.634 120.871 120.200 0.062 0.000 2.401 382 E HA -0.106 4.232 4.350 -0.020 0.000 0.199 382 E C 1.537 178.155 176.600 0.031 0.000 1.023 382 E CA 1.315 57.759 56.400 0.073 0.000 0.859 382 E CB -0.772 29.065 29.700 0.228 0.000 0.780 382 E HN 0.217 nan 8.360 nan 0.000 0.523 383 A N 0.891 123.747 122.820 0.060 0.000 2.308 383 A HA 0.307 4.614 4.320 -0.020 0.000 0.217 383 A C 0.990 178.592 177.584 0.030 0.000 1.216 383 A CA -0.310 51.776 52.037 0.081 0.000 0.864 383 A CB 0.032 19.093 19.000 0.101 0.000 0.902 383 A HN 0.139 nan 8.150 nan 0.000 0.499 384 L N 0.703 121.888 121.223 -0.063 0.000 2.322 384 L HA 0.310 4.638 4.340 -0.020 0.000 0.279 384 L C -0.170 176.388 176.870 -0.521 0.000 1.036 384 L CA -0.579 54.166 54.840 -0.159 0.000 0.807 384 L CB 1.436 43.443 42.059 -0.087 0.000 1.226 384 L HN 0.217 nan 8.230 nan 0.000 0.433 385 E N 3.230 123.036 120.200 -0.657 0.000 2.257 385 E HA 0.231 4.569 4.350 -0.020 0.000 0.278 385 E C -0.727 175.221 176.600 -1.087 0.000 1.049 385 E CA -0.096 55.487 56.400 -1.362 0.000 0.876 385 E CB 0.650 29.902 29.700 -0.747 0.000 1.035 385 E HN 0.366 nan 8.360 nan 0.000 0.419 386 R N 3.753 123.394 120.500 -1.432 0.000 2.576 386 R HA 0.181 4.509 4.340 -0.020 0.000 0.283 386 R C -1.321 174.742 176.300 -0.395 0.000 1.493 386 R CA -0.540 55.186 56.100 -0.622 0.000 1.170 386 R CB 0.744 30.818 30.300 -0.377 0.000 1.189 386 R HN 0.469 nan 8.270 nan 0.000 0.542 387 W N 4.478 125.716 121.300 -0.102 0.000 2.345 387 W HA 0.255 4.903 4.660 -0.020 0.000 0.308 387 W C -1.897 174.602 176.519 -0.033 0.000 1.273 387 W CA -2.106 55.251 57.345 0.020 0.000 1.243 387 W CB 0.609 30.060 29.460 -0.016 0.000 1.260 387 W HN 0.230 nan 8.180 nan 0.000 0.509 388 P HA -0.126 nan 4.420 nan 0.000 0.265 388 P C 0.909 178.198 177.300 -0.018 0.000 1.193 388 P CA 0.218 63.360 63.100 0.070 0.000 0.765 388 P CB 0.679 32.378 31.700 -0.002 0.000 0.823 389 V N 1.833 121.775 119.914 0.047 0.000 2.594 389 V HA -0.273 3.835 4.120 -0.020 0.000 0.253 389 V C 1.962 178.068 176.094 0.020 0.000 1.069 389 V CA 2.212 64.533 62.300 0.035 0.000 1.082 389 V CB -2.072 29.826 31.823 0.126 0.000 0.680 389 V HN 0.663 nan 8.190 nan 0.000 0.469 390 H N -0.160 118.965 119.070 0.091 0.000 2.421 390 H HA -0.054 4.490 4.556 -0.020 0.000 0.298 390 H C 1.867 177.240 175.328 0.075 0.000 1.087 390 H CA 1.951 58.048 56.048 0.083 0.000 1.330 390 H CB -0.643 29.170 29.762 0.085 0.000 1.388 390 H HN 0.402 nan 8.280 nan 0.000 0.526 391 L N 0.087 120.955 121.223 -0.591 0.000 2.093 391 L HA 0.008 4.336 4.340 -0.020 0.000 0.208 391 L C 2.257 179.031 176.870 -0.160 0.000 1.085 391 L CA 1.203 55.863 54.840 -0.301 0.000 0.755 391 L CB -0.424 41.459 42.059 -0.293 0.000 0.904 391 L HN 0.401 nan 8.230 nan 0.000 0.435 392 L N -0.895 120.229 121.223 -0.166 0.000 2.179 392 L HA -0.143 4.185 4.340 -0.020 0.000 0.208 392 L C 2.396 179.188 176.870 -0.131 0.000 1.096 392 L CA 1.028 55.757 54.840 -0.185 0.000 0.779 392 L CB -0.420 41.526 42.059 -0.188 0.000 0.922 392 L HN 0.404 nan 8.230 nan 0.000 0.443 393 E N -0.792 119.375 120.200 -0.054 0.000 2.208 393 E HA -0.175 4.163 4.350 -0.020 0.000 0.193 393 E C 1.942 178.572 176.600 0.050 0.000 0.988 393 E CA 1.547 57.944 56.400 -0.005 0.000 0.828 393 E CB -0.327 29.405 29.700 0.054 0.000 0.763 393 E HN 0.476 nan 8.360 nan 0.000 0.478 394 T N -0.320 114.285 114.554 0.086 0.000 2.939 394 T HA -0.011 4.327 4.350 -0.020 0.000 0.254 394 T C 1.885 176.691 174.700 0.177 0.000 1.041 394 T CA 0.344 62.554 62.100 0.183 0.000 1.142 394 T CB -0.169 68.846 68.868 0.245 0.000 0.874 394 T HN 0.134 nan 8.240 nan 0.000 0.452 395 L N -0.006 121.210 121.223 -0.013 0.000 2.209 395 L HA 0.505 4.833 4.340 -0.020 0.000 0.207 395 L C 0.550 177.327 176.870 -0.155 0.000 1.094 395 L CA 1.330 56.012 54.840 -0.265 0.000 0.790 395 L CB 0.035 41.911 42.059 -0.304 0.000 0.932 395 L HN 0.333 nan 8.230 nan 0.000 0.447 396 L N 0.421 121.545 121.223 -0.164 0.000 2.574 396 L HA 0.281 4.609 4.340 -0.020 0.000 0.258 396 L C -1.670 175.037 176.870 -0.273 0.000 1.520 396 L CA -0.976 53.707 54.840 -0.262 0.000 0.775 396 L CB 0.861 42.617 42.059 -0.505 0.000 1.028 396 L HN -0.103 nan 8.230 nan 0.000 0.516 397 P HA -0.254 nan 4.420 nan 0.000 0.216 397 P C 1.326 178.429 177.300 -0.328 0.000 1.157 397 P CA 1.402 64.392 63.100 -0.183 0.000 0.880 397 P CB 0.254 31.928 31.700 -0.044 0.000 0.791 398 R N -1.319 118.797 120.500 -0.639 0.000 2.240 398 R HA -0.064 4.264 4.340 -0.020 0.000 0.203 398 R C 2.191 178.139 176.300 -0.588 0.000 1.011 398 R CA 0.690 56.419 56.100 -0.618 0.000 1.007 398 R CB -0.416 29.391 30.300 -0.823 0.000 0.911 398 R HN 0.340 nan 8.270 nan 0.000 0.468 399 H N -0.478 118.259 119.070 -0.555 0.000 2.403 399 H HA -0.080 4.464 4.556 -0.020 0.000 0.298 399 H C 1.652 176.785 175.328 -0.326 0.000 1.059 399 H CA 1.102 56.899 56.048 -0.419 0.000 1.363 399 H CB 0.148 29.618 29.762 -0.487 0.000 1.410 399 H HN 0.025 nan 8.280 nan 0.000 0.528 400 L N 0.808 121.883 121.223 -0.245 0.000 2.093 400 L HA -0.160 4.168 4.340 -0.020 0.000 0.208 400 L C 1.830 178.465 176.870 -0.392 0.000 1.085 400 L CA 1.629 56.251 54.840 -0.364 0.000 0.755 400 L CB -0.458 41.398 42.059 -0.340 0.000 0.904 400 L HN 0.258 nan 8.230 nan 0.000 0.435 401 Q N -0.639 119.041 119.800 -0.201 0.000 2.084 401 Q HA -0.169 4.159 4.340 -0.020 0.000 0.202 401 Q C 2.284 178.281 176.000 -0.005 0.000 0.978 401 Q CA 1.953 57.731 55.803 -0.040 0.000 0.844 401 Q CB -0.149 28.580 28.738 -0.015 0.000 0.898 401 Q HN 0.581 nan 8.270 nan 0.000 0.426 402 I N 0.187 120.733 120.570 -0.040 0.000 2.439 402 I HA -0.229 3.929 4.170 -0.020 0.000 0.251 402 I C 2.058 178.236 176.117 0.102 0.000 1.139 402 I CA 0.803 62.167 61.300 0.107 0.000 1.438 402 I CB -0.055 37.946 38.000 0.003 0.000 1.085 402 I HN 0.184 nan 8.210 nan 0.000 0.427 403 I N -0.438 120.110 120.570 -0.037 0.000 2.315 403 I HA -0.291 3.867 4.170 -0.020 0.000 0.248 403 I C 2.318 178.451 176.117 0.026 0.000 1.117 403 I CA 1.245 62.518 61.300 -0.044 0.000 1.404 403 I CB -0.257 37.651 38.000 -0.154 0.000 1.071 403 I HN 0.154 nan 8.210 nan 0.000 0.419 404 Y N 0.749 121.044 120.300 -0.009 0.000 2.242 404 Y HA -0.236 4.302 4.550 -0.020 0.000 0.291 404 Y C 2.558 178.414 175.900 -0.073 0.000 1.137 404 Y CA 1.296 59.379 58.100 -0.029 0.000 1.181 404 Y CB -0.611 37.826 38.460 -0.038 0.000 0.989 404 Y HN 0.202 nan 8.280 nan 0.000 0.527 405 E N 0.236 120.464 120.200 0.047 0.000 2.158 405 E HA -0.074 4.263 4.350 -0.020 0.000 0.191 405 E C 2.021 178.520 176.600 -0.168 0.000 0.982 405 E CA 0.861 57.145 56.400 -0.193 0.000 0.823 405 E CB -0.463 28.941 29.700 -0.493 0.000 0.766 405 E HN 0.457 nan 8.360 nan 0.000 0.468 406 I N 0.608 121.178 120.570 -0.001 0.000 2.252 406 I HA -0.230 3.928 4.170 -0.020 0.000 0.245 406 I C 2.174 178.272 176.117 -0.032 0.000 1.102 406 I CA 1.090 62.328 61.300 -0.103 0.000 1.385 406 I CB -0.315 37.610 38.000 -0.125 0.000 1.064 406 I HN 0.183 nan 8.210 nan 0.000 0.414 407 N N 0.766 119.504 118.700 0.064 0.000 2.058 407 N HA -0.275 4.453 4.740 -0.020 0.000 0.191 407 N C 1.850 177.440 175.510 0.133 0.000 1.037 407 N CA 1.563 54.708 53.050 0.158 0.000 0.848 407 N CB -0.173 38.427 38.487 0.189 0.000 1.021 407 N HN 0.156 nan 8.380 nan 0.000 0.422 408 Q N 0.747 120.570 119.800 0.037 0.000 2.112 408 Q HA -0.052 4.276 4.340 -0.020 0.000 0.206 408 Q C 1.871 177.853 176.000 -0.029 0.000 0.987 408 Q CA 1.729 57.520 55.803 -0.019 0.000 0.858 408 Q CB -0.166 28.517 28.738 -0.091 0.000 0.905 408 Q HN 0.381 nan 8.270 nan 0.000 0.420 409 R N -1.400 119.064 120.500 -0.059 0.000 2.153 409 R HA -0.008 4.320 4.340 -0.020 0.000 0.218 409 R C 1.965 178.303 176.300 0.063 0.000 1.072 409 R CA 0.951 57.018 56.100 -0.055 0.000 0.990 409 R CB -0.287 29.924 30.300 -0.148 0.000 0.889 409 R HN 0.268 nan 8.270 nan 0.000 0.452 410 F N 1.171 121.106 119.950 -0.025 0.000 2.149 410 F HA -0.015 4.500 4.527 -0.020 0.000 0.294 410 F C 1.745 177.585 175.800 0.066 0.000 1.095 410 F CA 1.162 59.200 58.000 0.063 0.000 1.276 410 F CB -0.156 38.913 39.000 0.115 0.000 1.023 410 F HN -0.138 nan 8.300 nan 0.000 0.480 411 L N 0.191 121.443 121.223 0.048 0.000 2.131 411 L HA -0.270 4.058 4.340 -0.020 0.000 0.210 411 L C 2.072 178.882 176.870 -0.101 0.000 1.092 411 L CA 1.703 56.506 54.840 -0.063 0.000 0.759 411 L CB -0.936 41.146 42.059 0.038 0.000 0.903 411 L HN 0.284 nan 8.230 nan 0.000 0.435 412 N N -0.314 118.348 118.700 -0.063 0.000 2.149 412 N HA -0.187 4.541 4.740 -0.020 0.000 0.188 412 N C 1.917 177.378 175.510 -0.080 0.000 1.019 412 N CA 0.919 53.932 53.050 -0.061 0.000 0.857 412 N CB 0.036 38.494 38.487 -0.049 0.000 0.997 412 N HN 0.320 nan 8.380 nan 0.000 0.426 413 R N 0.471 120.904 120.500 -0.111 0.000 2.073 413 R HA -0.061 4.267 4.340 -0.020 0.000 0.229 413 R C 2.474 178.678 176.300 -0.159 0.000 1.120 413 R CA 0.985 57.014 56.100 -0.117 0.000 0.967 413 R CB -0.453 29.791 30.300 -0.094 0.000 0.862 413 R HN 0.183 nan 8.270 nan 0.000 0.436 414 V N 0.116 119.885 119.914 -0.242 0.000 2.427 414 V HA -0.076 4.032 4.120 -0.020 0.000 0.248 414 V C 2.112 178.206 176.094 -0.000 0.000 1.051 414 V CA 1.947 64.180 62.300 -0.112 0.000 1.048 414 V CB -0.394 31.305 31.823 -0.207 0.000 0.666 414 V HN 0.277 nan 8.190 nan 0.000 0.456 415 A N 0.342 123.133 122.820 -0.048 0.000 1.972 415 A HA 0.092 4.400 4.320 -0.020 0.000 0.219 415 A C 2.421 179.985 177.584 -0.034 0.000 1.169 415 A CA 2.147 54.173 52.037 -0.018 0.000 0.635 415 A CB -0.951 18.030 19.000 -0.033 0.000 0.810 415 A HN 1.078 nan 8.150 nan 0.000 0.446 416 A N -0.965 121.814 122.820 -0.069 0.000 2.072 416 A HA 0.449 4.757 4.320 -0.020 0.000 0.216 416 A C 2.198 179.692 177.584 -0.150 0.000 1.156 416 A CA 1.330 53.316 52.037 -0.086 0.000 0.701 416 A CB -0.450 18.505 19.000 -0.075 0.000 0.816 416 A HN 0.900 nan 8.150 nan 0.000 0.458 417 A N -1.747 120.938 122.820 -0.224 0.000 2.095 417 A HA 0.474 4.782 4.320 -0.020 0.000 0.212 417 A C 0.256 177.348 177.584 -0.820 0.000 1.162 417 A CA 0.411 52.143 52.037 -0.508 0.000 0.753 417 A CB -0.039 18.606 19.000 -0.592 0.000 0.840 417 A HN 0.382 nan 8.150 nan 0.000 0.468 418 F N -0.100 119.805 119.950 -0.076 0.000 2.708 418 F HA 0.327 4.842 4.527 -0.020 0.000 0.344 418 F C -2.851 172.912 175.800 -0.061 0.000 1.447 418 F CA -2.873 55.086 58.000 -0.068 0.000 1.140 418 F CB 0.799 39.749 39.000 -0.084 0.000 1.657 418 F HN -0.087 nan 8.300 nan 0.000 0.598 419 P HA 0.215 nan 4.420 nan 0.000 0.263 419 P C 1.025 178.347 177.300 0.036 0.000 1.195 419 P CA 1.207 64.321 63.100 0.024 0.000 0.762 419 P CB 0.855 32.550 31.700 -0.008 0.000 0.799 420 G N 2.879 111.692 108.800 0.022 0.000 2.268 420 G HA2 -0.239 3.709 3.960 -0.020 0.000 0.240 420 G HA3 -0.239 3.709 3.960 -0.020 0.000 0.240 420 G C 0.429 175.337 174.900 0.013 0.000 1.010 420 G CA -0.025 45.084 45.100 0.014 0.000 0.618 420 G HN 0.580 nan 8.290 nan 0.000 0.516 421 D N 1.791 122.208 120.400 0.027 0.000 2.600 421 D HA 0.334 4.962 4.640 -0.020 0.000 0.226 421 D C 2.163 178.452 176.300 -0.019 0.000 1.119 421 D CA 0.565 54.563 54.000 -0.002 0.000 1.051 421 D CB 0.363 41.154 40.800 -0.015 0.000 1.106 421 D HN 0.712 nan 8.370 nan 0.000 0.491 422 V N 0.736 120.641 119.914 -0.015 0.000 2.490 422 V HA -0.179 3.929 4.120 -0.020 0.000 0.250 422 V C 1.700 177.781 176.094 -0.021 0.000 1.061 422 V CA 1.834 64.125 62.300 -0.015 0.000 1.064 422 V CB -0.372 31.445 31.823 -0.010 0.000 0.670 422 V HN 0.194 nan 8.190 nan 0.000 0.461 423 D N 0.217 120.601 120.400 -0.027 0.000 2.178 423 D HA -0.172 4.456 4.640 -0.020 0.000 0.202 423 D C 2.325 178.598 176.300 -0.044 0.000 0.974 423 D CA 1.300 55.284 54.000 -0.027 0.000 0.841 423 D CB -0.225 40.559 40.800 -0.027 0.000 0.953 423 D HN 0.517 nan 8.370 nan 0.000 0.478 424 R N -0.066 120.384 120.500 -0.083 0.000 2.075 424 R HA -0.081 4.247 4.340 -0.020 0.000 0.232 424 R C 2.219 178.458 176.300 -0.102 0.000 1.126 424 R CA 0.806 56.822 56.100 -0.140 0.000 0.963 424 R CB -0.266 29.889 30.300 -0.242 0.000 0.858 424 R HN 0.251 nan 8.270 nan 0.000 0.435 425 L N 0.505 121.692 121.223 -0.061 0.000 1.990 425 L HA -0.229 4.099 4.340 -0.020 0.000 0.213 425 L C 2.963 179.846 176.870 0.022 0.000 1.072 425 L CA 1.860 56.685 54.840 -0.025 0.000 0.755 425 L CB -0.616 41.435 42.059 -0.013 0.000 0.889 425 L HN 0.307 nan 8.230 nan 0.000 0.432 426 R N 0.380 120.893 120.500 0.023 0.000 2.105 426 R HA -0.175 4.153 4.340 -0.020 0.000 0.239 426 R C 2.395 178.750 176.300 0.091 0.000 1.135 426 R CA 1.502 57.633 56.100 0.052 0.000 0.967 426 R CB -0.061 30.259 30.300 0.033 0.000 0.861 426 R HN 0.354 nan 8.270 nan 0.000 0.442 427 R N -0.559 119.981 120.500 0.068 0.000 2.119 427 R HA 0.024 4.352 4.340 -0.020 0.000 0.222 427 R C 2.100 178.531 176.300 0.219 0.000 1.088 427 R CA 1.273 57.446 56.100 0.120 0.000 0.984 427 R CB -0.023 30.304 30.300 0.044 0.000 0.884 427 R HN 0.292 nan 8.270 nan 0.000 0.447 428 M N 0.210 119.865 119.600 0.092 0.000 2.509 428 M HA 0.057 4.525 4.480 -0.020 0.000 0.250 428 M C 0.831 177.404 176.300 0.456 0.000 1.132 428 M CA 0.025 55.381 55.300 0.094 0.000 1.080 428 M CB 0.466 32.922 32.600 -0.240 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 0.788 116.703 115.700 0.360 0.000 2.558 429 S HA 0.006 4.464 4.470 -0.020 0.000 0.287 429 S C 0.964 175.822 174.600 0.430 0.000 1.321 429 S CA -0.320 58.090 58.200 0.349 0.000 1.048 429 S CB 0.610 63.938 63.200 0.214 0.000 0.844 429 S HN 0.236 nan 8.310 nan 0.000 0.512 430 L N 5.091 126.512 121.223 0.331 0.000 2.395 430 L HA 0.185 4.513 4.340 -0.020 0.000 0.218 430 L C 0.318 177.275 176.870 0.145 0.000 1.130 430 L CA 0.786 55.765 54.840 0.230 0.000 0.826 430 L CB -0.278 41.875 42.059 0.156 0.000 0.941 430 L HN 0.472 nan 8.230 nan 0.000 0.451 431 V N -0.347 119.673 119.914 0.176 0.000 2.394 431 V HA 0.221 4.329 4.120 -0.020 0.000 0.282 431 V C 0.159 176.320 176.094 0.113 0.000 1.031 431 V CA -0.852 61.541 62.300 0.155 0.000 0.881 431 V CB 1.475 33.426 31.823 0.213 0.000 0.982 431 V HN 0.090 nan 8.190 nan 0.000 0.451 432 E N 3.928 124.173 120.200 0.076 0.000 2.055 432 E HA 0.262 4.600 4.350 -0.020 0.000 0.274 432 E C -0.201 176.436 176.600 0.062 0.000 0.949 432 E CA -0.491 55.941 56.400 0.053 0.000 0.775 432 E CB 0.689 30.396 29.700 0.012 0.000 1.097 432 E HN 0.659 nan 8.360 nan 0.000 0.404 433 E N 1.658 121.894 120.200 0.061 0.000 2.397 433 E HA 0.459 4.797 4.350 -0.020 0.000 0.254 433 E C 0.594 177.223 176.600 0.048 0.000 1.231 433 E CA -0.044 56.389 56.400 0.054 0.000 0.954 433 E CB 1.125 30.852 29.700 0.044 0.000 1.024 433 E HN 0.747 nan 8.360 nan 0.000 0.481 434 G N -1.045 107.783 108.800 0.046 0.000 2.325 434 G HA2 0.145 4.093 3.960 -0.020 0.000 0.285 434 G HA3 0.145 4.093 3.960 -0.020 0.000 0.285 434 G C 0.397 175.325 174.900 0.047 0.000 1.303 434 G CA 0.234 45.359 45.100 0.042 0.000 0.970 434 G HN 0.477 nan 8.290 nan 0.000 0.490 435 A N -1.032 121.814 122.820 0.044 0.000 1.859 435 A HA 0.296 4.604 4.320 -0.020 0.000 0.217 435 A C 1.356 178.976 177.584 0.061 0.000 1.198 435 A CA 2.628 54.692 52.037 0.045 0.000 0.629 435 A CB -0.627 18.398 19.000 0.041 0.000 0.830 435 A HN 1.620 nan 8.150 nan 0.000 0.446 436 V N 0.986 120.944 119.914 0.074 0.000 2.313 436 V HA 0.226 4.334 4.120 -0.020 0.000 0.278 436 V C 0.059 176.217 176.094 0.107 0.000 1.017 436 V CA -0.682 61.682 62.300 0.107 0.000 0.823 436 V CB 0.946 32.845 31.823 0.127 0.000 1.010 436 V HN 0.444 nan 8.190 nan 0.000 0.443 437 K N 4.635 125.105 120.400 0.116 0.000 2.436 437 K HA 0.341 4.649 4.320 -0.020 0.000 0.275 437 K C 0.064 176.733 176.600 0.116 0.000 0.999 437 K CA 0.352 56.706 56.287 0.112 0.000 0.980 437 K CB 0.479 33.056 32.500 0.129 0.000 0.919 437 K HN 0.647 nan 8.250 nan 0.000 0.484 438 R N 2.563 123.117 120.500 0.091 0.000 2.799 438 R HA 0.482 4.810 4.340 -0.020 0.000 0.270 438 R C -0.939 175.394 176.300 0.055 0.000 1.010 438 R CA -1.086 55.057 56.100 0.071 0.000 0.916 438 R CB 1.119 31.439 30.300 0.033 0.000 1.228 438 R HN 0.349 nan 8.270 nan 0.000 0.469 439 I N 1.919 122.516 120.570 0.044 0.000 2.355 439 I HA 0.156 4.314 4.170 -0.020 0.000 0.288 439 I C -0.231 175.857 176.117 -0.047 0.000 0.999 439 I CA -0.706 60.607 61.300 0.021 0.000 1.163 439 I CB 1.284 39.299 38.000 0.025 0.000 1.316 439 I HN 0.554 nan 8.210 nan 0.000 0.454 440 N N 7.131 125.769 118.700 -0.103 0.000 2.402 440 N HA 0.043 4.771 4.740 -0.020 0.000 0.259 440 N C 0.930 176.338 175.510 -0.170 0.000 1.167 440 N CA -0.331 52.583 53.050 -0.226 0.000 0.949 440 N CB 0.889 39.093 38.487 -0.471 0.000 1.212 440 N HN 0.397 nan 8.380 nan 0.000 0.493 441 M N 2.798 122.300 119.600 -0.164 0.000 2.159 441 M HA -0.120 4.348 4.480 -0.020 0.000 0.263 441 M C 2.105 178.269 176.300 -0.226 0.000 1.063 441 M CA 1.022 56.242 55.300 -0.133 0.000 1.110 441 M CB -1.750 30.801 32.600 -0.081 0.000 1.374 441 M HN 0.619 nan 8.290 nan 0.000 0.411 442 A N -0.558 122.131 122.820 -0.219 0.000 1.908 442 A HA -0.201 4.107 4.320 -0.020 0.000 0.218 442 A C 2.036 179.431 177.584 -0.316 0.000 1.181 442 A CA 1.700 53.583 52.037 -0.257 0.000 0.627 442 A CB -1.217 17.847 19.000 0.106 0.000 0.818 442 A HN 0.635 nan 8.150 nan 0.000 0.445 443 H N -1.637 117.211 119.070 -0.369 0.000 2.389 443 H HA -0.089 4.455 4.556 -0.020 0.000 0.299 443 H C 2.095 177.179 175.328 -0.408 0.000 1.081 443 H CA 1.100 56.867 56.048 -0.468 0.000 1.345 443 H CB -0.003 29.683 29.762 -0.127 0.000 1.393 443 H HN 0.455 nan 8.280 nan 0.000 0.520 444 L N 0.656 121.790 121.223 -0.149 0.000 2.046 444 L HA -0.151 4.177 4.340 -0.020 0.000 0.208 444 L C 2.249 178.999 176.870 -0.201 0.000 1.077 444 L CA 1.434 56.193 54.840 -0.135 0.000 0.747 444 L CB -0.795 41.215 42.059 -0.082 0.000 0.896 444 L HN 0.254 nan 8.230 nan 0.000 0.432 445 C N -0.364 118.733 119.300 -0.338 0.000 2.429 445 C HA -0.094 4.354 4.460 -0.020 0.000 0.277 445 C C 2.711 177.516 174.990 -0.309 0.000 1.262 445 C CA 0.922 59.703 59.018 -0.395 0.000 1.733 445 C CB -0.930 26.278 27.740 -0.887 0.000 2.010 445 C HN 0.617 nan 8.230 nan 0.000 0.483 446 I N 1.394 121.713 120.570 -0.419 0.000 2.252 446 I HA -0.178 3.980 4.170 -0.020 0.000 0.245 446 I C 2.740 178.694 176.117 -0.272 0.000 1.102 446 I CA 1.582 62.639 61.300 -0.405 0.000 1.385 446 I CB -0.517 37.060 38.000 -0.705 0.000 1.064 446 I HN 0.256 nan 8.210 nan 0.000 0.414 447 A N 0.534 123.138 122.820 -0.361 0.000 1.933 447 A HA -0.106 4.202 4.320 -0.020 0.000 0.218 447 A C 2.238 179.877 177.584 0.091 0.000 1.175 447 A CA 1.903 53.758 52.037 -0.302 0.000 0.628 447 A CB -1.184 17.438 19.000 -0.630 0.000 0.814 447 A HN 0.475 nan 8.150 nan 0.000 0.444 448 G N -1.198 107.611 108.800 0.015 0.000 3.189 448 G HA2 0.404 4.352 3.960 -0.020 0.000 0.225 448 G HA3 0.404 4.352 3.960 -0.020 0.000 0.225 448 G C 0.140 174.906 174.900 -0.223 0.000 1.159 448 G CA 0.535 45.546 45.100 -0.149 0.000 0.763 448 G HN 0.369 nan 8.290 nan 0.000 0.549 449 S N -0.223 115.391 115.700 -0.142 0.000 2.536 449 S HA 0.331 4.788 4.470 -0.020 0.000 0.298 449 S C 0.659 175.208 174.600 -0.085 0.000 1.083 449 S CA -0.714 57.418 58.200 -0.112 0.000 0.995 449 S CB 1.261 64.398 63.200 -0.105 0.000 1.058 449 S HN 0.499 nan 8.310 nan 0.000 0.488 450 H N -0.259 118.781 119.070 -0.049 0.000 2.548 450 H HA 0.526 5.070 4.556 -0.020 0.000 0.265 450 H C 0.045 175.371 175.328 -0.003 0.000 0.969 450 H CA 0.161 56.208 56.048 -0.003 0.000 1.155 450 H CB 0.115 29.883 29.762 0.011 0.000 1.394 450 H HN 0.531 nan 8.280 nan 0.000 0.570 451 A N 1.016 123.549 122.820 -0.478 0.000 2.488 451 A HA 0.530 4.838 4.320 -0.020 0.000 0.295 451 A C -1.437 175.945 177.584 -0.336 0.000 1.045 451 A CA -0.564 51.243 52.037 -0.384 0.000 0.703 451 A CB 1.946 20.696 19.000 -0.416 0.000 1.271 451 A HN 0.092 nan 8.150 nan 0.000 0.400 452 V N 4.202 123.872 119.914 -0.407 0.000 2.540 452 V HA 0.620 4.728 4.120 -0.020 0.000 0.302 452 V C -0.630 175.278 176.094 -0.310 0.000 1.035 452 V CA -0.720 61.333 62.300 -0.411 0.000 0.873 452 V CB 1.892 33.313 31.823 -0.670 0.000 0.992 452 V HN 1.019 nan 8.190 nan 0.000 0.428 453 N N 2.814 121.354 118.700 -0.267 0.000 2.242 453 N HA 0.562 5.290 4.740 -0.020 0.000 0.292 453 N C -0.391 175.031 175.510 -0.146 0.000 1.125 453 N CA -0.414 52.531 53.050 -0.175 0.000 0.783 453 N CB 2.765 41.129 38.487 -0.205 0.000 1.558 453 N HN 0.665 nan 8.380 nan 0.000 0.472 454 G N -0.680 108.071 108.800 -0.083 0.000 2.502 454 G HA2 0.419 4.367 3.960 -0.020 0.000 0.305 454 G HA3 0.419 4.367 3.960 -0.020 0.000 0.305 454 G C 0.829 175.789 174.900 0.101 0.000 1.190 454 G CA -0.624 44.479 45.100 0.005 0.000 0.933 454 G HN 0.609 nan 8.290 nan 0.000 0.503 455 V N -2.801 117.269 119.914 0.259 0.000 3.444 455 V HA 0.668 4.776 4.120 -0.020 0.000 0.308 455 V C 0.625 176.796 176.094 0.128 0.000 1.371 455 V CA 0.248 62.626 62.300 0.131 0.000 1.141 455 V CB -1.019 30.847 31.823 0.071 0.000 1.037 455 V HN 1.325 nan 8.190 nan 0.000 0.433 456 A N -0.121 122.784 122.820 0.141 0.000 2.582 456 A HA 0.624 4.932 4.320 -0.020 0.000 0.297 456 A C 0.605 178.235 177.584 0.076 0.000 1.059 456 A CA -0.128 51.972 52.037 0.104 0.000 0.705 456 A CB 1.081 20.135 19.000 0.090 0.000 1.279 456 A HN 0.084 nan 8.150 nan 0.000 0.404 457 R N 1.261 121.786 120.500 0.042 0.000 2.140 457 R HA -0.200 4.128 4.340 -0.020 0.000 0.250 457 R C 1.655 177.949 176.300 -0.011 0.000 1.150 457 R CA 2.526 58.628 56.100 0.004 0.000 0.966 457 R CB -0.261 30.038 30.300 -0.002 0.000 0.869 457 R HN 0.817 nan 8.270 nan 0.000 0.445 458 I N -0.102 120.472 120.570 0.006 0.000 2.353 458 I HA -0.275 3.883 4.170 -0.020 0.000 0.248 458 I C 2.451 178.568 176.117 -0.000 0.000 1.119 458 I CA 1.496 62.791 61.300 -0.010 0.000 1.417 458 I CB -0.292 37.704 38.000 -0.007 0.000 1.078 458 I HN 0.390 nan 8.210 nan 0.000 0.421 459 H N 0.018 119.053 119.070 -0.058 0.000 2.326 459 H HA -0.131 4.413 4.556 -0.020 0.000 0.301 459 H C 2.200 177.478 175.328 -0.083 0.000 1.081 459 H CA 1.744 57.748 56.048 -0.073 0.000 1.334 459 H CB 0.216 29.942 29.762 -0.061 0.000 1.385 459 H HN 0.303 nan 8.280 nan 0.000 0.504 460 S N 0.557 116.131 115.700 -0.211 0.000 2.399 460 S HA -0.106 4.352 4.470 -0.020 0.000 0.231 460 S C 1.903 176.367 174.600 -0.227 0.000 1.022 460 S CA 0.993 59.047 58.200 -0.244 0.000 0.983 460 S CB -0.018 63.119 63.200 -0.105 0.000 0.803 460 S HN 0.464 nan 8.310 nan 0.000 0.480 461 E N 1.137 121.229 120.200 -0.180 0.000 2.072 461 E HA 0.032 4.370 4.350 -0.020 0.000 0.190 461 E C 2.013 178.483 176.600 -0.217 0.000 0.982 461 E CA 0.581 56.866 56.400 -0.192 0.000 0.803 461 E CB -0.288 29.333 29.700 -0.131 0.000 0.755 461 E HN 0.507 nan 8.360 nan 0.000 0.453 462 I N 0.941 121.394 120.570 -0.195 0.000 2.286 462 I HA -0.266 3.892 4.170 -0.020 0.000 0.248 462 I C 2.423 178.393 176.117 -0.244 0.000 1.115 462 I CA 0.733 61.924 61.300 -0.182 0.000 1.392 462 I CB -0.264 37.659 38.000 -0.128 0.000 1.065 462 I HN 0.075 nan 8.210 nan 0.000 0.418 463 L N 0.533 121.555 121.223 -0.334 0.000 2.017 463 L HA -0.233 4.095 4.340 -0.020 0.000 0.208 463 L C 2.436 179.151 176.870 -0.258 0.000 1.073 463 L CA 1.636 56.260 54.840 -0.360 0.000 0.745 463 L CB -0.492 41.364 42.059 -0.338 0.000 0.894 463 L HN 0.157 nan 8.230 nan 0.000 0.432 464 K N -0.092 120.100 120.400 -0.347 0.000 2.362 464 K HA -0.139 4.169 4.320 -0.020 0.000 0.200 464 K C 1.809 178.171 176.600 -0.396 0.000 1.046 464 K CA 1.031 56.969 56.287 -0.581 0.000 0.952 464 K CB 0.126 32.026 32.500 -1.000 0.000 0.753 464 K HN 0.267 nan 8.250 nan 0.000 0.466 465 K N -0.951 119.294 120.400 -0.257 0.000 2.370 465 K HA 0.039 4.347 4.320 -0.020 0.000 0.194 465 K C 1.448 177.988 176.600 -0.100 0.000 1.070 465 K CA 0.898 57.092 56.287 -0.156 0.000 0.998 465 K CB 0.886 33.303 32.500 -0.137 0.000 0.911 465 K HN 0.182 nan 8.250 nan 0.000 0.533 466 T N -1.035 113.453 114.554 -0.110 0.000 2.709 466 T HA 0.113 4.451 4.350 -0.020 0.000 0.174 466 T C 1.876 176.558 174.700 -0.029 0.000 0.774 466 T CA -0.045 62.013 62.100 -0.070 0.000 1.309 466 T CB -0.758 68.059 68.868 -0.085 0.000 2.586 466 T HN 0.064 nan 8.240 nan 0.000 0.401 467 I N -0.501 120.021 120.570 -0.081 0.000 2.185 467 I HA -0.052 4.106 4.170 -0.020 0.000 0.246 467 I C 1.647 177.933 176.117 0.283 0.000 1.088 467 I CA 1.905 63.203 61.300 -0.004 0.000 1.347 467 I CB -0.749 37.132 38.000 -0.198 0.000 1.041 467 I HN 0.136 nan 8.210 nan 0.000 0.415 468 F N 1.311 121.339 119.950 0.131 0.000 2.641 468 F HA 0.300 4.815 4.527 -0.020 0.000 0.302 468 F C 2.070 177.938 175.800 0.114 0.000 1.098 468 F CA -0.720 57.426 58.000 0.244 0.000 1.318 468 F CB -0.919 38.235 39.000 0.256 0.000 1.035 468 F HN 0.095 nan 8.300 nan 0.000 0.551 469 K N 0.904 121.409 120.400 0.174 0.000 2.034 469 K HA -0.231 4.077 4.320 -0.020 0.000 0.214 469 K C 1.572 178.191 176.600 0.032 0.000 1.051 469 K CA 2.259 58.580 56.287 0.057 0.000 0.931 469 K CB -0.024 32.482 32.500 0.010 0.000 0.715 469 K HN 0.024 nan 8.250 nan 0.000 0.446 470 D N -0.316 120.059 120.400 -0.041 0.000 2.123 470 D HA -0.172 4.456 4.640 -0.020 0.000 0.196 470 D C 1.816 177.954 176.300 -0.270 0.000 0.992 470 D CA 1.320 55.161 54.000 -0.266 0.000 0.833 470 D CB -0.279 40.252 40.800 -0.448 0.000 0.954 470 D HN 0.238 nan 8.370 nan 0.000 0.455 471 F N -0.290 119.703 119.950 0.072 0.000 2.186 471 F HA -0.129 4.386 4.527 -0.020 0.000 0.299 471 F C 2.328 178.205 175.800 0.128 0.000 1.090 471 F CA 0.504 58.621 58.000 0.195 0.000 1.307 471 F CB -0.811 38.380 39.000 0.318 0.000 1.019 471 F HN -0.015 nan 8.300 nan 0.000 0.489 472 Y N 1.160 121.320 120.300 -0.234 0.000 2.333 472 Y HA -0.157 4.381 4.550 -0.020 0.000 0.290 472 Y C 2.014 177.843 175.900 -0.118 0.000 1.144 472 Y CA 1.454 59.237 58.100 -0.528 0.000 1.228 472 Y CB -0.509 37.514 38.460 -0.728 0.000 0.985 472 Y HN 0.151 nan 8.280 nan 0.000 0.542 473 E N -0.431 119.697 120.200 -0.121 0.000 2.112 473 E HA -0.132 4.206 4.350 -0.020 0.000 0.190 473 E C 1.940 178.582 176.600 0.070 0.000 0.979 473 E CA 0.978 57.322 56.400 -0.094 0.000 0.814 473 E CB -0.139 29.535 29.700 -0.044 0.000 0.762 473 E HN 0.458 nan 8.360 nan 0.000 0.460 474 L N 0.870 122.177 121.223 0.140 0.000 2.131 474 L HA -0.030 4.298 4.340 -0.020 0.000 0.206 474 L C 0.085 177.029 176.870 0.123 0.000 1.087 474 L CA 1.498 56.469 54.840 0.219 0.000 0.767 474 L CB 0.465 42.659 42.059 0.225 0.000 0.917 474 L HN -0.118 nan 8.230 nan 0.000 0.441 475 E N -0.304 119.953 120.200 0.094 0.000 3.132 475 E HA 0.170 4.508 4.350 -0.020 0.000 0.241 475 E C -2.010 174.465 176.600 -0.208 0.000 1.196 475 E CA -1.268 55.071 56.400 -0.102 0.000 0.869 475 E CB 0.850 30.508 29.700 -0.070 0.000 1.387 475 E HN 0.139 nan 8.360 nan 0.000 0.393 476 P HA -0.253 nan 4.420 nan 0.000 0.216 476 P C 1.079 178.412 177.300 0.055 0.000 1.150 476 P CA 1.551 64.499 63.100 -0.252 0.000 0.837 476 P CB 0.043 31.514 31.700 -0.382 0.000 0.786 477 H N -0.147 119.008 119.070 0.142 0.000 2.422 477 H HA -0.040 4.504 4.556 -0.020 0.000 0.298 477 H C 2.079 177.498 175.328 0.151 0.000 1.098 477 H CA 1.408 57.536 56.048 0.134 0.000 1.315 477 H CB -1.026 28.791 29.762 0.092 0.000 1.382 477 H HN 0.083 nan 8.280 nan 0.000 0.523 478 K N 0.093 120.410 120.400 -0.140 0.000 2.097 478 K HA -0.047 4.261 4.320 -0.020 0.000 0.206 478 K C -0.379 176.103 176.600 -0.197 0.000 1.049 478 K CA 0.548 56.757 56.287 -0.131 0.000 0.933 478 K CB -0.035 32.272 32.500 -0.322 0.000 0.717 478 K HN 0.155 nan 8.250 nan 0.000 0.442 479 F N 1.623 121.607 119.950 0.057 0.000 2.438 479 F HA 0.179 4.694 4.527 -0.020 0.000 0.356 479 F C 0.387 176.208 175.800 0.036 0.000 1.099 479 F CA -0.067 57.979 58.000 0.077 0.000 1.185 479 F CB 0.966 40.081 39.000 0.190 0.000 1.115 479 F HN 0.023 nan 8.300 nan 0.000 0.526 480 Q N 1.456 121.301 119.800 0.074 0.000 2.882 480 Q HA 0.467 4.795 4.340 -0.020 0.000 0.315 480 Q C -1.390 174.579 176.000 -0.051 0.000 1.004 480 Q CA -1.495 54.305 55.803 -0.005 0.000 0.777 480 Q CB 2.390 31.074 28.738 -0.091 0.000 1.506 480 Q HN 0.563 nan 8.270 nan 0.000 0.489 481 N N -0.036 118.609 118.700 -0.092 0.000 2.225 481 N HA 0.322 5.050 4.740 -0.020 0.000 0.298 481 N C -1.789 173.619 175.510 -0.170 0.000 1.076 481 N CA -0.504 52.486 53.050 -0.100 0.000 0.792 481 N CB 1.259 39.709 38.487 -0.061 0.000 1.498 481 N HN 0.249 nan 8.380 nan 0.000 0.474 482 K N 2.283 122.582 120.400 -0.167 0.000 2.723 482 K HA 0.241 4.549 4.320 -0.020 0.000 0.229 482 K C -1.128 175.465 176.600 -0.012 0.000 1.022 482 K CA -0.489 55.659 56.287 -0.231 0.000 1.045 482 K CB 0.927 33.033 32.500 -0.656 0.000 1.227 482 K HN 0.648 nan 8.250 nan 0.000 0.516 483 T N 1.992 116.563 114.554 0.027 0.000 2.902 483 T HA 0.060 4.398 4.350 -0.020 0.000 0.301 483 T C 0.815 175.637 174.700 0.204 0.000 1.012 483 T CA 0.353 62.523 62.100 0.117 0.000 1.151 483 T CB 0.309 69.248 68.868 0.119 0.000 0.946 483 T HN 0.342 nan 8.240 nan 0.000 0.542 484 N N 0.651 119.493 118.700 0.236 0.000 2.267 484 N HA 0.382 5.110 4.740 -0.020 0.000 0.226 484 N C 0.472 176.163 175.510 0.302 0.000 1.314 484 N CA -0.177 53.041 53.050 0.281 0.000 0.887 484 N CB 0.391 38.985 38.487 0.178 0.000 1.120 484 N HN 0.756 nan 8.380 nan 0.000 0.440 485 G N -0.601 108.381 108.800 0.303 0.000 2.687 485 G HA2 0.629 4.577 3.960 -0.020 0.000 0.291 485 G HA3 0.629 4.577 3.960 -0.020 0.000 0.291 485 G C -1.403 173.620 174.900 0.205 0.000 1.420 485 G CA -0.721 44.547 45.100 0.279 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.517 118.165 120.570 0.187 0.000 2.969 486 I HA 0.754 4.912 4.170 -0.020 0.000 0.307 486 I C -0.374 175.907 176.117 0.274 0.000 1.149 486 I CA -0.973 60.432 61.300 0.174 0.000 1.008 486 I CB 2.425 40.396 38.000 -0.049 0.000 1.232 486 I HN 0.507 nan 8.210 nan 0.000 0.435 487 T N 3.682 118.465 114.554 0.382 0.000 2.780 487 T HA 0.400 4.738 4.350 -0.020 0.000 0.294 487 T C -1.524 173.309 174.700 0.222 0.000 0.949 487 T CA -1.781 60.462 62.100 0.237 0.000 1.074 487 T CB 0.907 69.857 68.868 0.137 0.000 0.910 487 T HN 0.619 nan 8.240 nan 0.000 0.501 488 P HA 0.025 nan 4.420 nan 0.000 0.234 488 P C 1.050 178.336 177.300 -0.023 0.000 1.167 488 P CA 0.426 63.577 63.100 0.085 0.000 0.763 488 P CB 0.353 32.088 31.700 0.058 0.000 0.835 489 R N 0.228 120.670 120.500 -0.097 0.000 2.052 489 R HA 0.062 4.390 4.340 -0.020 0.000 0.224 489 R C 2.696 178.894 176.300 -0.169 0.000 1.165 489 R CA 1.392 57.385 56.100 -0.178 0.000 0.939 489 R CB -1.164 29.035 30.300 -0.169 0.000 0.834 489 R HN 0.000 nan 8.270 nan 0.000 0.435 490 R N -0.687 119.663 120.500 -0.249 0.000 2.073 490 R HA -0.126 4.202 4.340 -0.020 0.000 0.234 490 R C 1.215 177.206 176.300 -0.515 0.000 1.134 490 R CA 1.748 57.556 56.100 -0.487 0.000 0.952 490 R CB -0.257 29.577 30.300 -0.776 0.000 0.850 490 R HN 0.294 nan 8.270 nan 0.000 0.433 491 W N 0.024 121.286 121.300 -0.063 0.000 3.377 491 W HA 0.101 4.749 4.660 -0.021 0.000 0.277 491 W C 0.973 177.468 176.519 -0.040 0.000 1.311 491 W CA -0.642 56.667 57.345 -0.061 0.000 1.703 491 W CB 0.317 29.746 29.460 -0.051 0.000 1.095 491 W HN 0.269 nan 8.180 nan 0.000 0.715 492 L N -2.508 118.781 121.223 0.110 0.000 2.604 492 L HA 0.155 4.483 4.340 -0.020 0.000 0.150 492 L C 1.780 178.677 176.870 0.046 0.000 1.292 492 L CA 0.706 55.606 54.840 0.101 0.000 0.977 492 L CB -0.948 41.198 42.059 0.145 0.000 1.943 492 L HN -0.266 nan 8.230 nan 0.000 0.508 493 V N 1.133 121.056 119.914 0.016 0.000 2.278 493 V HA -0.308 3.800 4.120 -0.020 0.000 0.251 493 V C 2.495 178.570 176.094 -0.031 0.000 1.062 493 V CA 2.565 64.857 62.300 -0.014 0.000 1.038 493 V CB -0.782 30.986 31.823 -0.090 0.000 0.646 493 V HN 0.438 nan 8.190 nan 0.000 0.447 494 L N 0.318 121.495 121.223 -0.077 0.000 1.993 494 L HA -0.148 4.180 4.340 -0.020 0.000 0.206 494 L C 2.647 179.461 176.870 -0.094 0.000 1.074 494 L CA 2.426 57.202 54.840 -0.107 0.000 0.746 494 L CB -0.752 41.191 42.059 -0.194 0.000 0.896 494 L HN 0.658 nan 8.230 nan 0.000 0.435 495 C N -2.290 116.944 119.300 -0.110 0.000 2.456 495 C HA 0.018 4.466 4.460 -0.020 0.000 0.279 495 C C 1.333 176.311 174.990 -0.019 0.000 1.427 495 C CA -0.056 58.917 59.018 -0.075 0.000 1.778 495 C CB -1.770 25.930 27.740 -0.068 0.000 1.842 495 C HN 0.574 nan 8.230 nan 0.000 0.531 496 N N 1.135 119.837 118.700 0.003 0.000 2.765 496 N HA 0.253 4.981 4.740 -0.020 0.000 0.277 496 N C -1.771 173.757 175.510 0.030 0.000 1.750 496 N CA -1.243 51.820 53.050 0.022 0.000 0.827 496 N CB 1.131 39.640 38.487 0.037 0.000 1.200 496 N HN 0.208 nan 8.380 nan 0.000 0.494 497 P HA -0.121 nan 4.420 nan 0.000 0.216 497 P C 1.466 178.788 177.300 0.037 0.000 1.150 497 P CA 1.173 64.289 63.100 0.028 0.000 0.837 497 P CB 0.231 31.941 31.700 0.016 0.000 0.786 498 G N 0.852 109.670 108.800 0.030 0.000 2.459 498 G HA2 -0.238 3.710 3.960 -0.020 0.000 0.217 498 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.217 498 G C 1.666 176.586 174.900 0.033 0.000 1.183 498 G CA 0.394 45.510 45.100 0.028 0.000 0.776 498 G HN 0.232 nan 8.290 nan 0.000 0.552 499 L N 0.578 121.821 121.223 0.033 0.000 2.046 499 L HA -0.052 4.276 4.340 -0.020 0.000 0.208 499 L C 3.266 180.172 176.870 0.061 0.000 1.077 499 L CA 1.616 56.475 54.840 0.033 0.000 0.747 499 L CB -0.460 41.617 42.059 0.029 0.000 0.896 499 L HN 0.341 nan 8.230 nan 0.000 0.432 500 A N 0.460 123.335 122.820 0.090 0.000 1.933 500 A HA -0.262 4.046 4.320 -0.020 0.000 0.218 500 A C 2.035 179.716 177.584 0.161 0.000 1.175 500 A CA 1.777 53.916 52.037 0.169 0.000 0.628 500 A CB -0.471 18.626 19.000 0.162 0.000 0.814 500 A HN 0.732 nan 8.150 nan 0.000 0.444 501 E N 0.746 121.005 120.200 0.098 0.000 2.028 501 E HA -0.173 4.165 4.350 -0.020 0.000 0.190 501 E C 1.975 178.618 176.600 0.073 0.000 0.984 501 E CA 1.370 57.819 56.400 0.082 0.000 0.800 501 E CB -0.807 28.925 29.700 0.054 0.000 0.758 501 E HN 0.724 nan 8.360 nan 0.000 0.448 502 I N -0.473 120.140 120.570 0.071 0.000 2.264 502 I HA -0.203 3.955 4.170 -0.020 0.000 0.248 502 I C 2.427 178.600 176.117 0.094 0.000 1.111 502 I CA 1.313 62.671 61.300 0.097 0.000 1.382 502 I CB -0.429 37.643 38.000 0.120 0.000 1.060 502 I HN 0.081 nan 8.210 nan 0.000 0.418 503 I N 1.737 122.344 120.570 0.061 0.000 2.315 503 I HA -0.205 3.952 4.170 -0.020 0.000 0.248 503 I C 2.987 179.032 176.117 -0.120 0.000 1.117 503 I CA 1.244 62.485 61.300 -0.099 0.000 1.404 503 I CB -0.461 37.370 38.000 -0.282 0.000 1.071 503 I HN 0.351 nan 8.210 nan 0.000 0.419 504 A N 1.421 124.271 122.820 0.051 0.000 1.898 504 A HA -0.219 4.089 4.320 -0.020 0.000 0.216 504 A C 2.173 179.778 177.584 0.034 0.000 1.181 504 A CA 1.659 53.777 52.037 0.135 0.000 0.620 504 A CB -0.664 18.443 19.000 0.178 0.000 0.819 504 A HN 0.620 nan 8.150 nan 0.000 0.442 505 E N -0.821 119.382 120.200 0.005 0.000 2.265 505 E HA -0.193 4.145 4.350 -0.020 0.000 0.196 505 E C 1.767 178.325 176.600 -0.069 0.000 0.996 505 E CA 0.957 57.348 56.400 -0.014 0.000 0.832 505 E CB -0.121 29.581 29.700 0.004 0.000 0.756 505 E HN 0.391 nan 8.360 nan 0.000 0.491 506 R N 0.788 121.180 120.500 -0.180 0.000 2.087 506 R HA 0.180 4.508 4.340 -0.020 0.000 0.216 506 R C 2.411 178.596 176.300 -0.192 0.000 1.114 506 R CA 1.245 57.152 56.100 -0.322 0.000 1.002 506 R CB -0.291 29.467 30.300 -0.904 0.000 0.903 506 R HN 0.476 nan 8.270 nan 0.000 0.445 507 I N -3.270 117.201 120.570 -0.165 0.000 4.154 507 I HA 0.448 4.606 4.170 -0.020 0.000 0.334 507 I C 0.473 176.614 176.117 0.041 0.000 1.371 507 I CA 0.134 61.400 61.300 -0.057 0.000 1.110 507 I CB 0.865 38.808 38.000 -0.095 0.000 1.085 507 I HN 0.172 nan 8.210 nan 0.000 0.398 508 G N 2.067 110.907 108.800 0.066 0.000 2.627 508 G HA2 -0.198 3.750 3.960 -0.020 0.000 0.214 508 G HA3 -0.198 3.750 3.960 -0.020 0.000 0.214 508 G C -0.099 174.927 174.900 0.209 0.000 1.331 508 G CA 0.145 45.309 45.100 0.107 0.000 0.891 508 G HN 0.405 nan 8.290 nan 0.000 0.539 509 E N -0.149 120.121 120.200 0.117 0.000 2.562 509 E HA 0.129 4.467 4.350 -0.020 0.000 0.214 509 E C 1.694 178.219 176.600 -0.125 0.000 0.979 509 E CA 0.147 56.537 56.400 -0.018 0.000 1.002 509 E CB 0.473 30.157 29.700 -0.027 0.000 1.048 509 E HN 0.625 nan 8.360 nan 0.000 0.488 510 E N 0.334 120.547 120.200 0.022 0.000 2.401 510 E HA -0.192 4.146 4.350 -0.020 0.000 0.199 510 E C 1.488 178.096 176.600 0.012 0.000 1.023 510 E CA 0.846 57.255 56.400 0.016 0.000 0.859 510 E CB -0.152 29.580 29.700 0.053 0.000 0.780 510 E HN 0.497 nan 8.360 nan 0.000 0.523 511 Y N -0.723 119.573 120.300 -0.007 0.000 2.314 511 Y HA -0.036 4.502 4.550 -0.019 0.000 0.293 511 Y C 1.871 177.741 175.900 -0.049 0.000 1.129 511 Y CA 0.459 58.547 58.100 -0.019 0.000 1.201 511 Y CB -0.604 37.846 38.460 -0.017 0.000 0.999 511 Y HN -0.111 nan 8.280 nan 0.000 0.541 512 I N 1.197 121.329 120.570 -0.729 0.000 2.399 512 I HA -0.276 3.882 4.170 -0.020 0.000 0.254 512 I C 1.450 177.341 176.117 -0.377 0.000 1.146 512 I CA 1.951 62.859 61.300 -0.653 0.000 1.412 512 I CB -0.437 37.037 38.000 -0.877 0.000 1.076 512 I HN 0.501 nan 8.210 nan 0.000 0.432 513 S N -2.077 113.505 115.700 -0.197 0.000 2.843 513 S HA 0.259 4.717 4.470 -0.020 0.000 0.249 513 S C -0.021 174.571 174.600 -0.013 0.000 1.047 513 S CA -0.578 57.575 58.200 -0.078 0.000 1.042 513 S CB 0.383 63.587 63.200 0.007 0.000 0.936 513 S HN 0.287 nan 8.310 nan 0.000 0.531 514 D N 0.658 121.060 120.400 0.004 0.000 3.361 514 D HA 0.174 4.802 4.640 -0.020 0.000 0.246 514 D C 0.387 176.734 176.300 0.079 0.000 1.395 514 D CA -0.319 53.703 54.000 0.037 0.000 0.839 514 D CB 0.273 41.098 40.800 0.041 0.000 1.469 514 D HN 0.148 nan 8.370 nan 0.000 0.636 515 L N 1.050 122.320 121.223 0.077 0.000 2.187 515 L HA -0.049 4.279 4.340 -0.020 0.000 0.213 515 L C 1.485 178.400 176.870 0.075 0.000 1.100 515 L CA 1.689 56.596 54.840 0.112 0.000 0.765 515 L CB -0.077 42.040 42.059 0.096 0.000 0.904 515 L HN 0.246 nan 8.230 nan 0.000 0.437 516 D N -0.824 119.599 120.400 0.039 0.000 2.265 516 D HA -0.204 4.424 4.640 -0.020 0.000 0.208 516 D C 1.999 178.315 176.300 0.026 0.000 0.977 516 D CA 0.758 54.767 54.000 0.016 0.000 0.871 516 D CB 0.034 40.832 40.800 -0.003 0.000 0.925 516 D HN 0.543 nan 8.370 nan 0.000 0.485 517 Q N -0.118 119.713 119.800 0.051 0.000 2.364 517 Q HA -0.046 4.282 4.340 -0.020 0.000 0.209 517 Q C 2.240 178.250 176.000 0.016 0.000 0.977 517 Q CA 0.222 56.055 55.803 0.050 0.000 0.885 517 Q CB 0.048 28.843 28.738 0.095 0.000 0.941 517 Q HN 0.397 nan 8.270 nan 0.000 0.464 518 L N 0.115 121.340 121.223 0.003 0.000 2.349 518 L HA -0.204 4.124 4.340 -0.020 0.000 0.220 518 L C 2.437 179.295 176.870 -0.020 0.000 1.130 518 L CA 0.741 55.548 54.840 -0.055 0.000 0.791 518 L CB -0.294 41.746 42.059 -0.031 0.000 0.918 518 L HN 0.182 nan 8.230 nan 0.000 0.444 519 R N 0.994 121.496 120.500 0.004 0.000 2.103 519 R HA -0.212 4.116 4.340 -0.020 0.000 0.242 519 R C 2.071 178.382 176.300 0.019 0.000 1.142 519 R CA 1.564 57.672 56.100 0.014 0.000 0.960 519 R CB -0.078 30.228 30.300 0.010 0.000 0.858 519 R HN 0.251 nan 8.270 nan 0.000 0.439 520 K N 0.144 120.552 120.400 0.014 0.000 2.442 520 K HA -0.138 4.170 4.320 -0.020 0.000 0.199 520 K C 1.560 178.208 176.600 0.080 0.000 1.044 520 K CA 0.838 57.147 56.287 0.037 0.000 0.941 520 K CB -0.088 32.432 32.500 0.034 0.000 0.759 520 K HN 0.295 nan 8.250 nan 0.000 0.472 521 L N 0.558 121.799 121.223 0.030 0.000 2.478 521 L HA -0.049 4.279 4.340 -0.020 0.000 0.223 521 L C 1.872 178.838 176.870 0.159 0.000 1.140 521 L CA 0.298 55.159 54.840 0.034 0.000 0.842 521 L CB -0.194 41.850 42.059 -0.025 0.000 0.953 521 L HN 0.200 nan 8.230 nan 0.000 0.452 522 L N -0.896 120.390 121.223 0.105 0.000 2.131 522 L HA -0.179 4.149 4.340 -0.020 0.000 0.210 522 L C 2.469 179.378 176.870 0.066 0.000 1.092 522 L CA 0.923 55.815 54.840 0.086 0.000 0.759 522 L CB -0.394 41.692 42.059 0.045 0.000 0.903 522 L HN 0.206 nan 8.230 nan 0.000 0.435 523 S N -1.176 114.543 115.700 0.031 0.000 2.500 523 S HA -0.146 4.312 4.470 -0.020 0.000 0.239 523 S C 1.031 175.462 174.600 -0.282 0.000 0.989 523 S CA 0.969 59.087 58.200 -0.135 0.000 0.951 523 S CB -0.238 62.824 63.200 -0.231 0.000 0.759 523 S HN 0.412 nan 8.310 nan 0.000 0.523 524 Y N -0.968 119.300 120.300 -0.052 0.000 2.531 524 Y HA 0.355 4.903 4.550 -0.003 0.000 0.249 524 Y C 1.694 177.671 175.900 0.129 0.000 1.168 524 Y CA -0.656 57.435 58.100 -0.015 0.000 1.226 524 Y CB -0.147 38.177 38.460 -0.227 0.000 1.177 524 Y HN 0.069 nan 8.280 nan 0.000 0.527 525 V N 0.553 120.587 119.914 0.199 0.000 2.688 525 V HA -0.233 3.875 4.120 -0.020 0.000 0.256 525 V C 0.798 176.963 176.094 0.119 0.000 1.084 525 V CA 2.266 64.663 62.300 0.163 0.000 1.103 525 V CB -0.040 31.838 31.823 0.092 0.000 0.688 525 V HN 0.367 nan 8.190 nan 0.000 0.480 526 D N -0.709 119.743 120.400 0.086 0.000 2.501 526 D HA 0.140 4.768 4.640 -0.020 0.000 0.224 526 D C 0.095 176.436 176.300 0.069 0.000 1.202 526 D CA -0.066 53.969 54.000 0.058 0.000 0.829 526 D CB 0.213 41.025 40.800 0.020 0.000 1.023 526 D HN 0.420 nan 8.370 nan 0.000 0.499 527 D N 1.829 122.308 120.400 0.132 0.000 2.339 527 D HA 0.009 4.637 4.640 -0.020 0.000 0.241 527 D C 1.229 177.631 176.300 0.170 0.000 1.183 527 D CA -0.069 54.026 54.000 0.159 0.000 0.859 527 D CB 1.215 42.184 40.800 0.282 0.000 1.067 527 D HN -0.112 nan 8.370 nan 0.000 0.484 528 E N 2.751 123.015 120.200 0.107 0.000 2.209 528 E HA -0.172 4.166 4.350 -0.020 0.000 0.196 528 E C 1.528 178.183 176.600 0.092 0.000 0.993 528 E CA 0.712 57.160 56.400 0.081 0.000 0.819 528 E CB -0.001 29.730 29.700 0.051 0.000 0.745 528 E HN 0.605 nan 8.360 nan 0.000 0.477 529 A N 1.120 124.017 122.820 0.128 0.000 1.840 529 A HA -0.133 4.175 4.320 -0.020 0.000 0.214 529 A C 2.034 179.723 177.584 0.174 0.000 1.198 529 A CA 0.938 53.053 52.037 0.130 0.000 0.608 529 A CB -0.821 18.262 19.000 0.140 0.000 0.839 529 A HN 0.217 nan 8.150 nan 0.000 0.443 530 F N 0.698 120.683 119.950 0.058 0.000 2.126 530 F HA -0.154 4.361 4.527 -0.019 0.000 0.299 530 F C 1.982 177.795 175.800 0.023 0.000 1.096 530 F CA 1.279 59.296 58.000 0.028 0.000 1.255 530 F CB -0.367 38.669 39.000 0.060 0.000 0.997 530 F HN 0.173 nan 8.300 nan 0.000 0.479 531 I N -0.204 120.388 120.570 0.036 0.000 2.286 531 I HA -0.288 3.870 4.170 -0.020 0.000 0.248 531 I C 2.741 178.806 176.117 -0.086 0.000 1.115 531 I CA 1.356 62.617 61.300 -0.065 0.000 1.392 531 I CB -0.473 37.538 38.000 0.019 0.000 1.065 531 I HN 0.071 nan 8.210 nan 0.000 0.418 532 R N 0.850 121.329 120.500 -0.035 0.000 2.073 532 R HA -0.173 4.155 4.340 -0.020 0.000 0.229 532 R C 1.690 177.952 176.300 -0.063 0.000 1.120 532 R CA 1.784 57.864 56.100 -0.034 0.000 0.967 532 R CB -0.212 30.088 30.300 -0.001 0.000 0.862 532 R HN 0.262 nan 8.270 nan 0.000 0.436 533 D N 0.276 120.629 120.400 -0.077 0.000 2.097 533 D HA -0.114 4.514 4.640 -0.020 0.000 0.197 533 D C 2.017 178.213 176.300 -0.174 0.000 0.984 533 D CA 1.179 55.123 54.000 -0.093 0.000 0.826 533 D CB -0.183 40.597 40.800 -0.034 0.000 0.973 533 D HN 0.057 nan 8.370 nan 0.000 0.460 534 V N 1.419 121.129 119.914 -0.340 0.000 2.287 534 V HA -0.263 3.845 4.120 -0.020 0.000 0.248 534 V C 2.489 178.491 176.094 -0.154 0.000 1.053 534 V CA 1.964 64.066 62.300 -0.330 0.000 1.027 534 V CB -0.780 30.755 31.823 -0.479 0.000 0.646 534 V HN 0.198 nan 8.190 nan 0.000 0.447 535 A N -0.760 121.988 122.820 -0.119 0.000 1.969 535 A HA -0.200 4.108 4.320 -0.020 0.000 0.218 535 A C 2.363 179.912 177.584 -0.058 0.000 1.169 535 A CA 1.836 53.834 52.037 -0.065 0.000 0.635 535 A CB -0.414 18.550 19.000 -0.060 0.000 0.810 535 A HN 0.496 nan 8.150 nan 0.000 0.445 536 K N -0.056 120.309 120.400 -0.059 0.000 2.025 536 K HA -0.072 4.236 4.320 -0.020 0.000 0.207 536 K C 1.840 178.422 176.600 -0.031 0.000 1.049 536 K CA 1.556 57.820 56.287 -0.039 0.000 0.933 536 K CB -0.263 32.219 32.500 -0.030 0.000 0.714 536 K HN 0.235 nan 8.250 nan 0.000 0.438 537 V N 1.713 121.604 119.914 -0.037 0.000 2.343 537 V HA -0.244 3.864 4.120 -0.020 0.000 0.247 537 V C 2.413 178.499 176.094 -0.013 0.000 1.051 537 V CA 2.024 64.311 62.300 -0.021 0.000 1.036 537 V CB -0.420 31.386 31.823 -0.030 0.000 0.654 537 V HN 0.364 nan 8.190 nan 0.000 0.451 538 K N -0.383 120.003 120.400 -0.022 0.000 2.097 538 K HA -0.163 4.145 4.320 -0.020 0.000 0.205 538 K C 2.213 178.793 176.600 -0.034 0.000 1.050 538 K CA 1.274 57.553 56.287 -0.012 0.000 0.938 538 K CB -0.151 32.351 32.500 0.003 0.000 0.718 538 K HN 0.335 nan 8.250 nan 0.000 0.442 539 Q N 0.262 120.035 119.800 -0.046 0.000 2.230 539 Q HA -0.111 4.217 4.340 -0.020 0.000 0.202 539 Q C 1.741 177.729 176.000 -0.020 0.000 0.963 539 Q CA 1.175 56.941 55.803 -0.062 0.000 0.866 539 Q CB 0.172 28.873 28.738 -0.060 0.000 0.931 539 Q HN 0.485 nan 8.270 nan 0.000 0.452 540 E N 0.683 120.883 120.200 0.001 0.000 2.047 540 E HA -0.124 4.214 4.350 -0.020 0.000 0.191 540 E C 1.702 178.335 176.600 0.056 0.000 0.987 540 E CA 0.889 57.305 56.400 0.026 0.000 0.799 540 E CB -0.003 29.710 29.700 0.022 0.000 0.752 540 E HN 0.462 nan 8.360 nan 0.000 0.449 541 N N 0.408 119.140 118.700 0.054 0.000 2.166 541 N HA -0.164 4.564 4.740 -0.020 0.000 0.186 541 N C 1.641 177.250 175.510 0.166 0.000 1.019 541 N CA 0.827 53.932 53.050 0.092 0.000 0.856 541 N CB 0.005 38.530 38.487 0.062 0.000 0.993 541 N HN 0.026 nan 8.380 nan 0.000 0.426 542 K N 0.429 120.894 120.400 0.108 0.000 2.148 542 K HA -0.070 4.238 4.320 -0.020 0.000 0.204 542 K C 1.802 178.565 176.600 0.272 0.000 1.050 542 K CA 0.616 57.003 56.287 0.166 0.000 0.942 542 K CB -0.019 32.296 32.500 -0.308 0.000 0.724 542 K HN 0.050 nan 8.250 nan 0.000 0.446 543 L N 1.678 122.991 121.223 0.149 0.000 2.044 543 L HA -0.132 4.196 4.340 -0.020 0.000 0.205 543 L C 2.282 179.258 176.870 0.176 0.000 1.075 543 L CA 1.715 56.642 54.840 0.144 0.000 0.747 543 L CB -0.337 41.773 42.059 0.085 0.000 0.903 543 L HN 0.018 nan 8.230 nan 0.000 0.435 544 K N -1.392 119.113 120.400 0.174 0.000 2.032 544 K HA -0.265 4.043 4.320 -0.020 0.000 0.209 544 K C 2.250 178.996 176.600 0.243 0.000 1.048 544 K CA 1.809 58.202 56.287 0.176 0.000 0.927 544 K CB -0.397 32.193 32.500 0.149 0.000 0.712 544 K HN 0.200 nan 8.250 nan 0.000 0.441 545 F N 1.188 121.235 119.950 0.162 0.000 2.171 545 F HA -0.089 4.426 4.527 -0.020 0.000 0.300 545 F C 1.963 177.901 175.800 0.230 0.000 1.090 545 F CA 1.293 59.403 58.000 0.183 0.000 1.293 545 F CB -0.386 38.715 39.000 0.169 0.000 1.013 545 F HN 0.119 nan 8.300 nan 0.000 0.486 546 A N 0.061 123.007 122.820 0.209 0.000 1.930 546 A HA 0.018 4.326 4.320 -0.020 0.000 0.217 546 A C 2.398 179.999 177.584 0.028 0.000 1.175 546 A CA 1.482 53.572 52.037 0.087 0.000 0.627 546 A CB -1.410 17.706 19.000 0.193 0.000 0.815 546 A HN 0.434 nan 8.150 nan 0.000 0.443 547 A N -1.284 121.583 122.820 0.079 0.000 1.898 547 A HA -0.079 4.229 4.320 -0.020 0.000 0.216 547 A C 2.127 179.730 177.584 0.031 0.000 1.181 547 A CA 1.567 53.641 52.037 0.063 0.000 0.620 547 A CB -0.812 18.240 19.000 0.087 0.000 0.819 547 A HN 0.786 nan 8.150 nan 0.000 0.442 548 Y N 0.269 120.517 120.300 -0.088 0.000 2.181 548 Y HA -0.126 4.412 4.550 -0.020 0.000 0.288 548 Y C 1.882 177.705 175.900 -0.129 0.000 1.146 548 Y CA 1.788 59.823 58.100 -0.108 0.000 1.164 548 Y CB -0.249 38.133 38.460 -0.129 0.000 0.982 548 Y HN 0.193 nan 8.280 nan 0.000 0.515 549 L N 0.221 121.293 121.223 -0.252 0.000 2.093 549 L HA -0.153 4.175 4.340 -0.020 0.000 0.208 549 L C 2.446 179.246 176.870 -0.116 0.000 1.085 549 L CA 1.781 56.478 54.840 -0.237 0.000 0.755 549 L CB -0.410 41.476 42.059 -0.288 0.000 0.904 549 L HN 0.291 nan 8.230 nan 0.000 0.435 550 E N 0.407 120.554 120.200 -0.089 0.000 2.112 550 E HA -0.208 4.130 4.350 -0.020 0.000 0.190 550 E C 2.206 178.764 176.600 -0.070 0.000 0.979 550 E CA 1.097 57.479 56.400 -0.030 0.000 0.814 550 E CB -0.047 29.665 29.700 0.020 0.000 0.762 550 E HN 0.175 nan 8.360 nan 0.000 0.460 551 R N 0.104 120.531 120.500 -0.121 0.000 2.062 551 R HA -0.083 4.245 4.340 -0.020 0.000 0.231 551 R C 1.800 177.964 176.300 -0.226 0.000 1.136 551 R CA 1.650 57.666 56.100 -0.141 0.000 0.948 551 R CB -0.084 30.140 30.300 -0.125 0.000 0.845 551 R HN 0.159 nan 8.270 nan 0.000 0.430 552 E N -0.765 119.197 120.200 -0.397 0.000 2.216 552 E HA -0.128 4.210 4.350 -0.020 0.000 0.192 552 E C 0.745 176.898 176.600 -0.746 0.000 0.988 552 E CA 1.040 57.070 56.400 -0.616 0.000 0.834 552 E CB 0.238 29.381 29.700 -0.927 0.000 0.772 552 E HN 0.524 nan 8.360 nan 0.000 0.479 553 Y N -0.456 119.720 120.300 -0.207 0.000 2.610 553 Y HA 0.231 4.769 4.550 -0.020 0.000 0.254 553 Y C 0.121 175.980 175.900 -0.068 0.000 1.110 553 Y CA -0.687 57.346 58.100 -0.111 0.000 1.238 553 Y CB 0.811 39.212 38.460 -0.099 0.000 1.322 553 Y HN -0.284 nan 8.280 nan 0.000 0.547 554 K N 0.842 121.262 120.400 0.033 0.000 3.148 554 K HA -0.132 4.176 4.320 -0.020 0.000 0.267 554 K C -0.928 175.713 176.600 0.068 0.000 0.996 554 K CA 0.351 56.659 56.287 0.035 0.000 0.737 554 K CB -1.795 30.721 32.500 0.028 0.000 1.308 554 K HN 0.130 nan 8.250 nan 0.000 0.470 555 V N 1.664 121.617 119.914 0.065 0.000 2.384 555 V HA 0.194 4.302 4.120 -0.020 0.000 0.287 555 V C 0.523 176.652 176.094 0.058 0.000 1.020 555 V CA -0.792 61.539 62.300 0.052 0.000 0.850 555 V CB 1.641 33.467 31.823 0.006 0.000 0.987 555 V HN 0.334 nan 8.190 nan 0.000 0.436 556 H N 6.706 125.770 119.070 -0.010 0.000 2.552 556 H HA 0.617 5.161 4.556 -0.020 0.000 0.311 556 H C -0.862 174.461 175.328 -0.008 0.000 1.071 556 H CA -0.515 55.531 56.048 -0.005 0.000 1.307 556 H CB 1.426 31.191 29.762 0.004 0.000 1.416 556 H HN 0.727 nan 8.280 nan 0.000 0.464 557 I N 2.219 122.465 120.570 -0.541 0.000 2.608 557 I HA 0.318 4.476 4.170 -0.020 0.000 0.295 557 I C -0.371 175.497 176.117 -0.416 0.000 1.049 557 I CA -1.285 59.752 61.300 -0.438 0.000 1.063 557 I CB 1.897 39.769 38.000 -0.214 0.000 1.248 557 I HN 0.373 nan 8.210 nan 0.000 0.424 558 N N 7.062 125.618 118.700 -0.241 0.000 2.431 558 N HA 0.243 4.971 4.740 -0.020 0.000 0.265 558 N C -1.611 173.985 175.510 0.143 0.000 1.184 558 N CA -2.284 50.741 53.050 -0.042 0.000 0.943 558 N CB 0.886 39.372 38.487 -0.003 0.000 1.080 558 N HN 0.486 nan 8.380 nan 0.000 0.477 559 P HA -0.014 nan 4.420 nan 0.000 0.233 559 P C -0.411 176.863 177.300 -0.043 0.000 1.167 559 P CA 0.895 64.062 63.100 0.111 0.000 0.770 559 P CB 0.240 31.997 31.700 0.094 0.000 0.837 560 N N -0.167 118.536 118.700 0.005 0.000 2.320 560 N HA 0.064 4.792 4.740 -0.020 0.000 0.237 560 N C 0.094 175.600 175.510 -0.007 0.000 1.129 560 N CA -0.279 52.763 53.050 -0.013 0.000 0.854 560 N CB 0.203 38.701 38.487 0.018 0.000 1.083 560 N HN 0.176 nan 8.380 nan 0.000 0.504 561 S N -0.082 115.603 115.700 -0.024 0.000 2.739 561 S HA 0.523 4.980 4.470 -0.020 0.000 0.306 561 S C -0.535 173.949 174.600 -0.193 0.000 1.115 561 S CA -1.071 57.096 58.200 -0.055 0.000 0.985 561 S CB 1.449 64.664 63.200 0.025 0.000 1.133 561 S HN 0.062 nan 8.310 nan 0.000 0.541 562 L N 1.143 122.125 121.223 -0.402 0.000 2.281 562 L HA 0.542 4.870 4.340 -0.020 0.000 0.285 562 L C -1.213 175.575 176.870 -0.136 0.000 1.074 562 L CA -0.828 53.591 54.840 -0.702 0.000 0.817 562 L CB -0.883 40.372 42.059 -1.342 0.000 1.168 562 L HN 0.582 nan 8.230 nan 0.000 0.434 563 F N 3.822 123.619 119.950 -0.256 0.000 2.468 563 F HA 0.225 4.740 4.527 -0.019 0.000 0.356 563 F C 0.621 176.339 175.800 -0.137 0.000 1.167 563 F CA -0.533 57.382 58.000 -0.142 0.000 1.135 563 F CB -0.214 38.746 39.000 -0.068 0.000 1.197 563 F HN 0.578 nan 8.300 nan 0.000 0.569 564 D N 3.909 124.309 120.400 0.000 0.000 2.359 564 D HA 0.398 5.026 4.640 -0.020 0.000 0.230 564 D C -1.000 175.247 176.300 -0.088 0.000 1.118 564 D CA -0.107 53.851 54.000 -0.069 0.000 0.844 564 D CB 1.001 41.743 40.800 -0.097 0.000 1.059 564 D HN 0.143 nan 8.370 nan 0.000 0.493 565 V N 4.445 124.295 119.914 -0.106 0.000 2.487 565 V HA 0.388 4.496 4.120 -0.020 0.000 0.298 565 V C -0.185 175.779 176.094 -0.215 0.000 1.028 565 V CA -0.871 61.358 62.300 -0.119 0.000 0.860 565 V CB 1.681 33.528 31.823 0.039 0.000 0.991 565 V HN 0.528 nan 8.190 nan 0.000 0.427 566 Q N 3.615 123.301 119.800 -0.191 0.000 2.558 566 Q HA 0.594 4.922 4.340 -0.020 0.000 0.252 566 Q C -1.279 174.568 176.000 -0.254 0.000 1.015 566 Q CA -0.401 55.272 55.803 -0.215 0.000 0.720 566 Q CB 1.837 30.472 28.738 -0.171 0.000 1.215 566 Q HN 0.830 nan 8.270 nan 0.000 0.500 567 V N 1.308 121.060 119.914 -0.271 0.000 2.495 567 V HA 0.870 4.978 4.120 -0.020 0.000 0.298 567 V C -0.798 175.010 176.094 -0.476 0.000 1.031 567 V CA -0.550 61.381 62.300 -0.615 0.000 0.871 567 V CB 1.244 32.426 31.823 -1.070 0.000 0.988 567 V HN 0.777 nan 8.190 nan 0.000 0.432 568 K N 2.276 122.433 120.400 -0.406 0.000 3.191 568 K HA 0.383 4.691 4.320 -0.020 0.000 0.325 568 K C -1.231 175.385 176.600 0.026 0.000 1.105 568 K CA -1.192 55.062 56.287 -0.055 0.000 0.843 568 K CB 0.724 33.187 32.500 -0.061 0.000 1.452 568 K HN 0.443 nan 8.250 nan 0.000 0.393 569 R N 0.903 121.491 120.500 0.147 0.000 2.640 569 R HA 0.131 4.459 4.340 -0.020 0.000 0.270 569 R C 0.328 176.704 176.300 0.127 0.000 1.024 569 R CA -0.333 55.879 56.100 0.187 0.000 1.085 569 R CB -0.222 30.244 30.300 0.278 0.000 0.963 569 R HN 0.466 nan 8.270 nan 0.000 0.426 570 I N 4.597 125.220 120.570 0.088 0.000 2.517 570 I HA 0.067 4.225 4.170 -0.020 0.000 0.285 570 I C 0.913 176.981 176.117 -0.082 0.000 1.106 570 I CA 0.624 61.921 61.300 -0.005 0.000 1.402 570 I CB -0.469 37.517 38.000 -0.023 0.000 1.399 570 I HN 0.274 nan 8.210 nan 0.000 0.535 571 H N 4.123 123.127 119.070 -0.110 0.000 2.980 571 H HA 0.259 4.803 4.556 -0.020 0.000 0.367 571 H C 0.349 175.567 175.328 -0.184 0.000 1.206 571 H CA -0.482 55.523 56.048 -0.073 0.000 1.126 571 H CB 2.201 31.784 29.762 -0.298 0.000 1.838 571 H HN 0.519 nan 8.280 nan 0.000 0.552 572 E N 0.834 121.068 120.200 0.057 0.000 2.076 572 E HA -0.148 4.190 4.350 -0.020 0.000 0.190 572 E C 1.460 177.762 176.600 -0.496 0.000 0.979 572 E CA 0.916 57.264 56.400 -0.086 0.000 0.807 572 E CB 0.086 29.893 29.700 0.178 0.000 0.761 572 E HN 0.517 nan 8.360 nan 0.000 0.454 573 Y N 0.717 120.439 120.300 -0.964 0.000 2.421 573 Y HA 0.001 4.539 4.550 -0.020 0.000 0.292 573 Y C 1.450 177.089 175.900 -0.434 0.000 1.136 573 Y CA 0.834 58.235 58.100 -1.165 0.000 1.255 573 Y CB -0.019 37.833 38.460 -1.014 0.000 0.991 573 Y HN -0.208 nan 8.280 nan 0.000 0.552 574 K N 0.726 120.667 120.400 -0.766 0.000 2.418 574 K HA 0.102 4.410 4.320 -0.020 0.000 0.195 574 K C 0.087 176.515 176.600 -0.286 0.000 1.035 574 K CA 0.327 56.274 56.287 -0.566 0.000 1.003 574 K CB 0.033 32.194 32.500 -0.565 0.000 0.793 574 K HN 0.261 nan 8.250 nan 0.000 0.494 575 R N 0.654 121.013 120.500 -0.236 0.000 3.333 575 R HA -0.225 4.103 4.340 -0.020 0.000 0.256 575 R C 0.338 176.559 176.300 -0.131 0.000 1.010 575 R CA 0.172 56.184 56.100 -0.145 0.000 0.680 575 R CB -1.773 28.459 30.300 -0.114 0.000 1.102 575 R HN 0.285 nan 8.270 nan 0.000 0.440 576 Q N 0.342 120.067 119.800 -0.126 0.000 2.226 576 Q HA -0.018 4.310 4.340 -0.020 0.000 0.204 576 Q C 2.050 178.003 176.000 -0.078 0.000 0.975 576 Q CA 1.294 57.038 55.803 -0.099 0.000 0.866 576 Q CB 0.063 28.749 28.738 -0.088 0.000 0.915 576 Q HN 0.574 nan 8.270 nan 0.000 0.440 577 L N -0.511 120.666 121.223 -0.076 0.000 2.083 577 L HA -0.193 4.135 4.340 -0.020 0.000 0.209 577 L C 2.014 178.883 176.870 -0.002 0.000 1.083 577 L CA 0.613 55.421 54.840 -0.053 0.000 0.752 577 L CB -0.342 41.696 42.059 -0.036 0.000 0.899 577 L HN 0.324 nan 8.230 nan 0.000 0.433 578 L N 0.033 121.246 121.223 -0.017 0.000 2.046 578 L HA -0.243 4.085 4.340 -0.020 0.000 0.208 578 L C 2.018 178.936 176.870 0.081 0.000 1.077 578 L CA 1.943 56.783 54.840 0.001 0.000 0.747 578 L CB -0.836 41.112 42.059 -0.186 0.000 0.896 578 L HN 0.279 nan 8.230 nan 0.000 0.432 579 N N -1.808 116.909 118.700 0.028 0.000 2.166 579 N HA -0.222 4.505 4.740 -0.020 0.000 0.186 579 N C 1.918 177.517 175.510 0.149 0.000 1.019 579 N CA 1.434 54.588 53.050 0.174 0.000 0.856 579 N CB -0.099 38.423 38.487 0.057 0.000 0.993 579 N HN 0.490 nan 8.380 nan 0.000 0.426 580 C N 0.427 119.748 119.300 0.035 0.000 2.432 580 C HA -0.050 4.398 4.460 -0.020 0.000 0.277 580 C C 2.558 177.549 174.990 0.002 0.000 1.249 580 C CA 0.340 59.330 59.018 -0.048 0.000 1.725 580 C CB -1.205 26.450 27.740 -0.141 0.000 2.028 580 C HN 0.508 nan 8.230 nan 0.000 0.477 581 L N -0.300 120.982 121.223 0.097 0.000 2.079 581 L HA -0.223 4.105 4.340 -0.020 0.000 0.210 581 L C 2.728 179.773 176.870 0.291 0.000 1.081 581 L CA 1.816 56.758 54.840 0.170 0.000 0.752 581 L CB -0.985 41.221 42.059 0.244 0.000 0.896 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N -0.143 119.065 119.070 0.230 0.000 2.326 582 H HA -0.147 4.396 4.556 -0.020 0.000 0.301 582 H C 2.311 177.655 175.328 0.025 0.000 1.081 582 H CA 1.976 58.089 56.048 0.108 0.000 1.334 582 H CB 0.308 30.065 29.762 -0.008 0.000 1.385 582 H HN 0.265 nan 8.280 nan 0.000 0.504 583 V N 0.221 120.053 119.914 -0.136 0.000 2.490 583 V HA -0.162 3.946 4.120 -0.020 0.000 0.250 583 V C 2.270 178.311 176.094 -0.089 0.000 1.061 583 V CA 1.656 63.833 62.300 -0.205 0.000 1.064 583 V CB -0.769 30.979 31.823 -0.124 0.000 0.670 583 V HN 0.366 nan 8.190 nan 0.000 0.461 584 I N 0.830 121.387 120.570 -0.021 0.000 2.439 584 I HA -0.150 4.008 4.170 -0.020 0.000 0.251 584 I C 2.627 178.829 176.117 0.141 0.000 1.139 584 I CA 1.791 63.155 61.300 0.107 0.000 1.438 584 I CB -0.602 37.452 38.000 0.090 0.000 1.085 584 I HN 0.319 nan 8.210 nan 0.000 0.427 585 T N 1.208 115.800 114.554 0.063 0.000 2.777 585 T HA -0.080 4.258 4.350 -0.020 0.000 0.266 585 T C 1.979 176.656 174.700 -0.038 0.000 1.040 585 T CA 1.103 63.236 62.100 0.055 0.000 1.141 585 T CB -0.219 68.717 68.868 0.113 0.000 0.868 585 T HN 0.233 nan 8.240 nan 0.000 0.444 586 L N -0.203 120.922 121.223 -0.164 0.000 2.042 586 L HA -0.138 4.190 4.340 -0.020 0.000 0.210 586 L C 2.404 179.244 176.870 -0.050 0.000 1.076 586 L CA 1.734 56.467 54.840 -0.179 0.000 0.749 586 L CB -0.559 41.321 42.059 -0.299 0.000 0.893 586 L HN 0.320 nan 8.230 nan 0.000 0.432 587 Y N 1.000 121.248 120.300 -0.087 0.000 2.163 587 Y HA -0.231 4.307 4.550 -0.020 0.000 0.288 587 Y C 2.267 178.159 175.900 -0.014 0.000 1.136 587 Y CA 1.925 60.011 58.100 -0.024 0.000 1.147 587 Y CB -0.430 38.063 38.460 0.055 0.000 0.987 587 Y HN 0.205 nan 8.280 nan 0.000 0.509 588 N N -0.338 118.352 118.700 -0.017 0.000 2.166 588 N HA -0.157 4.571 4.740 -0.020 0.000 0.186 588 N C 1.830 177.245 175.510 -0.159 0.000 1.019 588 N CA 0.999 53.972 53.050 -0.128 0.000 0.856 588 N CB -0.138 38.344 38.487 -0.007 0.000 0.993 588 N HN 0.343 nan 8.380 nan 0.000 0.426 589 R N 0.588 121.021 120.500 -0.111 0.000 2.092 589 R HA 0.001 4.329 4.340 -0.020 0.000 0.231 589 R C 2.056 178.278 176.300 -0.130 0.000 1.119 589 R CA 0.827 56.865 56.100 -0.103 0.000 0.970 589 R CB -0.198 30.052 30.300 -0.082 0.000 0.864 589 R HN 0.273 nan 8.270 nan 0.000 0.440 590 I N 0.832 121.303 120.570 -0.166 0.000 2.202 590 I HA -0.253 3.905 4.170 -0.020 0.000 0.242 590 I C 2.005 178.004 176.117 -0.197 0.000 1.091 590 I CA 1.132 62.331 61.300 -0.169 0.000 1.368 590 I CB -0.091 37.807 38.000 -0.170 0.000 1.058 590 I HN -0.013 nan 8.210 nan 0.000 0.410 591 K N 0.876 121.092 120.400 -0.307 0.000 2.147 591 K HA -0.176 4.132 4.320 -0.020 0.000 0.205 591 K C 1.999 178.494 176.600 -0.174 0.000 1.049 591 K CA 1.275 57.391 56.287 -0.284 0.000 0.936 591 K CB -0.384 31.862 32.500 -0.424 0.000 0.722 591 K HN 0.253 nan 8.250 nan 0.000 0.446 592 K N 0.912 121.218 120.400 -0.157 0.000 2.002 592 K HA -0.087 4.221 4.320 -0.020 0.000 0.209 592 K C 0.206 176.758 176.600 -0.081 0.000 1.048 592 K CA 1.210 57.434 56.287 -0.106 0.000 0.930 592 K CB 0.212 32.657 32.500 -0.093 0.000 0.714 592 K HN 0.124 nan 8.250 nan 0.000 0.438 593 E N 0.228 120.380 120.200 -0.079 0.000 2.916 593 E HA 0.095 4.433 4.350 -0.020 0.000 0.217 593 E C -2.150 174.414 176.600 -0.059 0.000 1.100 593 E CA -1.556 54.810 56.400 -0.056 0.000 0.891 593 E CB 1.470 31.145 29.700 -0.043 0.000 1.311 593 E HN 0.153 nan 8.360 nan 0.000 0.421 594 P HA -0.187 nan 4.420 nan 0.000 0.215 594 P C 0.549 177.831 177.300 -0.030 0.000 1.153 594 P CA 1.183 64.250 63.100 -0.055 0.000 0.853 594 P CB 0.317 31.989 31.700 -0.047 0.000 0.788 595 N N -0.415 118.276 118.700 -0.015 0.000 2.383 595 N HA -0.010 4.718 4.740 -0.020 0.000 0.192 595 N C 0.782 176.309 175.510 0.028 0.000 1.141 595 N CA 0.314 53.368 53.050 0.008 0.000 0.851 595 N CB 0.143 38.635 38.487 0.008 0.000 0.976 595 N HN 0.299 nan 8.380 nan 0.000 0.465 596 K N 1.009 121.418 120.400 0.015 0.000 2.234 596 K HA 0.087 4.395 4.320 -0.020 0.000 0.282 596 K C -0.654 175.984 176.600 0.063 0.000 1.039 596 K CA -0.501 55.810 56.287 0.041 0.000 0.928 596 K CB 0.624 33.130 32.500 0.010 0.000 1.039 596 K HN -0.157 nan 8.250 nan 0.000 0.470 597 F N 5.066 125.001 119.950 -0.024 0.000 2.529 597 F HA 0.157 4.672 4.527 -0.020 0.000 0.365 597 F C -0.444 175.339 175.800 -0.028 0.000 1.102 597 F CA 0.027 58.013 58.000 -0.023 0.000 1.271 597 F CB 0.613 39.603 39.000 -0.018 0.000 1.120 597 F HN 0.207 nan 8.300 nan 0.000 0.579 598 V N 4.074 123.374 119.914 -1.023 0.000 2.841 598 V HA 0.487 4.595 4.120 -0.020 0.000 0.310 598 V C -0.720 174.740 176.094 -1.057 0.000 1.090 598 V CA -1.272 60.580 62.300 -0.747 0.000 0.930 598 V CB 0.922 32.513 31.823 -0.387 0.000 1.014 598 V HN 0.592 nan 8.190 nan 0.000 0.425 599 V N 4.716 124.298 119.914 -0.554 0.000 2.458 599 V HA 0.178 4.286 4.120 -0.020 0.000 0.287 599 V C -1.850 174.057 176.094 -0.312 0.000 1.009 599 V CA -0.477 61.632 62.300 -0.319 0.000 1.091 599 V CB 0.456 32.206 31.823 -0.121 0.000 0.960 599 V HN 0.886 nan 8.190 nan 0.000 0.476 600 P HA 0.239 nan 4.420 nan 0.000 0.265 600 P C -0.317 176.866 177.300 -0.196 0.000 1.193 600 P CA 0.189 63.176 63.100 -0.188 0.000 0.765 600 P CB 0.461 32.099 31.700 -0.102 0.000 0.823 601 R N 1.366 121.767 120.500 -0.165 0.000 2.744 601 R HA 0.592 4.920 4.340 -0.020 0.000 0.279 601 R C -0.763 175.480 176.300 -0.094 0.000 0.977 601 R CA -0.617 55.389 56.100 -0.156 0.000 0.906 601 R CB 2.025 32.218 30.300 -0.177 0.000 1.197 601 R HN 0.276 nan 8.270 nan 0.000 0.463 602 T N 2.032 116.552 114.554 -0.057 0.000 2.912 602 T HA 0.224 4.562 4.350 -0.020 0.000 0.326 602 T C -0.561 174.065 174.700 -0.125 0.000 1.080 602 T CA -0.437 61.608 62.100 -0.091 0.000 1.000 602 T CB 1.025 69.823 68.868 -0.116 0.000 1.008 602 T HN 0.135 nan 8.240 nan 0.000 0.473 603 V N 5.748 125.589 119.914 -0.123 0.000 2.385 603 V HA 0.409 4.517 4.120 -0.020 0.000 0.269 603 V C 0.119 176.134 176.094 -0.132 0.000 1.043 603 V CA -0.324 61.907 62.300 -0.116 0.000 0.906 603 V CB 0.679 32.445 31.823 -0.095 0.000 0.995 603 V HN 0.839 nan 8.190 nan 0.000 0.467 604 M N 6.593 126.102 119.600 -0.151 0.000 2.227 604 M HA 0.600 5.068 4.480 -0.020 0.000 0.335 604 M C -0.921 175.266 176.300 -0.188 0.000 1.053 604 M CA -0.082 55.114 55.300 -0.172 0.000 0.973 604 M CB 1.788 34.270 32.600 -0.197 0.000 1.623 604 M HN 0.436 nan 8.290 nan 0.000 0.434 605 I N 2.103 122.541 120.570 -0.220 0.000 2.466 605 I HA 0.793 4.951 4.170 -0.020 0.000 0.289 605 I C 0.070 175.826 176.117 -0.602 0.000 1.026 605 I CA -0.629 60.511 61.300 -0.267 0.000 1.078 605 I CB 2.192 40.134 38.000 -0.096 0.000 1.249 605 I HN 0.777 nan 8.210 nan 0.000 0.429 606 G N 3.099 111.522 108.800 -0.628 0.000 2.696 606 G HA2 0.834 4.782 3.960 -0.020 0.000 0.295 606 G HA3 0.834 4.782 3.960 -0.020 0.000 0.295 606 G C -0.986 173.610 174.900 -0.508 0.000 1.398 606 G CA -0.802 43.786 45.100 -0.854 0.000 0.920 606 G HN 0.977 nan 8.290 nan 0.000 0.492 607 G N -0.228 108.452 108.800 -0.200 0.000 2.352 607 G HA2 0.421 4.369 3.960 -0.020 0.000 0.305 607 G HA3 0.421 4.369 3.960 -0.020 0.000 0.305 607 G C -1.325 173.733 174.900 0.264 0.000 1.537 607 G CA -1.024 44.133 45.100 0.095 0.000 0.959 607 G HN 0.617 nan 8.290 nan 0.000 0.668 608 K N -0.234 120.313 120.400 0.244 0.000 2.098 608 K HA 0.781 5.089 4.320 -0.020 0.000 0.258 608 K C 0.193 176.943 176.600 0.250 0.000 0.973 608 K CA -0.270 56.172 56.287 0.258 0.000 0.898 608 K CB 2.101 34.654 32.500 0.088 0.000 1.057 608 K HN 0.870 nan 8.250 nan 0.000 0.447 609 A N 1.217 124.216 122.820 0.299 0.000 2.324 609 A HA 0.665 4.973 4.320 -0.020 0.000 0.330 609 A C -0.556 177.207 177.584 0.299 0.000 1.165 609 A CA -0.723 51.433 52.037 0.198 0.000 0.813 609 A CB 1.095 20.136 19.000 0.068 0.000 1.197 609 A HN 0.761 nan 8.150 nan 0.000 0.484 610 A N 3.471 126.440 122.820 0.249 0.000 2.462 610 A HA 0.517 4.825 4.320 -0.020 0.000 0.243 610 A C -1.333 176.322 177.584 0.118 0.000 1.076 610 A CA -0.966 51.207 52.037 0.226 0.000 0.773 610 A CB -0.369 18.719 19.000 0.147 0.000 1.010 610 A HN 0.603 nan 8.150 nan 0.000 0.493 611 P HA -0.200 nan 4.420 nan 0.000 0.217 611 P C 1.323 178.611 177.300 -0.021 0.000 1.162 611 P CA 2.284 65.323 63.100 -0.102 0.000 0.901 611 P CB 0.116 31.720 31.700 -0.161 0.000 0.793 612 G N -3.135 105.672 108.800 0.011 0.000 3.314 612 G HA2 -0.095 3.853 3.960 -0.020 0.000 0.238 612 G HA3 -0.095 3.853 3.960 -0.020 0.000 0.238 612 G C -0.261 174.674 174.900 0.058 0.000 1.184 612 G CA -0.034 45.080 45.100 0.023 0.000 0.806 612 G HN 0.178 nan 8.290 nan 0.000 0.536 613 Y N 1.818 122.056 120.300 -0.103 0.000 2.691 613 Y HA 0.285 4.823 4.550 -0.020 0.000 0.338 613 Y C 1.337 177.223 175.900 -0.025 0.000 1.148 613 Y CA -2.140 55.882 58.100 -0.131 0.000 1.430 613 Y CB -0.401 37.941 38.460 -0.197 0.000 1.303 613 Y HN 0.391 nan 8.280 nan 0.000 0.499 614 H N 3.468 122.619 119.070 0.135 0.000 2.265 614 H HA -0.279 4.265 4.556 -0.020 0.000 0.293 614 H C 1.995 177.281 175.328 -0.069 0.000 1.089 614 H CA 3.071 59.138 56.048 0.032 0.000 1.244 614 H CB 0.131 29.925 29.762 0.054 0.000 1.355 614 H HN 0.578 nan 8.280 nan 0.000 0.485 615 M N 0.297 119.744 119.600 -0.255 0.000 2.149 615 M HA -0.095 4.373 4.480 -0.020 0.000 0.261 615 M C 2.371 178.326 176.300 -0.576 0.000 1.064 615 M CA 1.938 56.992 55.300 -0.409 0.000 1.102 615 M CB -0.803 31.697 32.600 -0.168 0.000 1.369 615 M HN 0.424 nan 8.290 nan 0.000 0.408 616 A N -0.633 121.585 122.820 -1.004 0.000 1.930 616 A HA -0.166 4.142 4.320 -0.020 0.000 0.217 616 A C 2.187 179.554 177.584 -0.362 0.000 1.175 616 A CA 1.686 53.262 52.037 -0.768 0.000 0.627 616 A CB -0.591 17.837 19.000 -0.954 0.000 0.815 616 A HN 0.573 nan 8.150 nan 0.000 0.443 617 K N -1.107 119.132 120.400 -0.268 0.000 2.155 617 K HA -0.012 4.296 4.320 -0.020 0.000 0.203 617 K C 1.830 178.387 176.600 -0.071 0.000 1.052 617 K CA 1.074 57.313 56.287 -0.080 0.000 0.948 617 K CB -0.186 32.342 32.500 0.046 0.000 0.728 617 K HN 0.343 nan 8.250 nan 0.000 0.448 618 M N 0.511 120.001 119.600 -0.184 0.000 2.254 618 M HA -0.052 4.416 4.480 -0.020 0.000 0.265 618 M C 2.087 178.309 176.300 -0.130 0.000 1.066 618 M CA 1.305 56.530 55.300 -0.125 0.000 1.123 618 M CB -0.550 31.927 32.600 -0.205 0.000 1.388 618 M HN 0.116 nan 8.290 nan 0.000 0.425 619 I N -0.198 120.254 120.570 -0.198 0.000 2.252 619 I HA -0.288 3.870 4.170 -0.020 0.000 0.245 619 I C 2.258 178.239 176.117 -0.227 0.000 1.102 619 I CA 1.032 62.211 61.300 -0.201 0.000 1.385 619 I CB -0.239 37.643 38.000 -0.197 0.000 1.064 619 I HN 0.159 nan 8.210 nan 0.000 0.414 620 I N 0.682 121.097 120.570 -0.259 0.000 2.226 620 I HA -0.302 3.856 4.170 -0.020 0.000 0.245 620 I C 2.557 178.389 176.117 -0.475 0.000 1.100 620 I CA 1.202 62.246 61.300 -0.427 0.000 1.374 620 I CB -0.283 37.425 38.000 -0.487 0.000 1.057 620 I HN 0.143 nan 8.210 nan 0.000 0.413 621 K N 1.237 121.371 120.400 -0.442 0.000 2.147 621 K HA -0.185 4.123 4.320 -0.020 0.000 0.205 621 K C 1.912 178.347 176.600 -0.275 0.000 1.049 621 K CA 1.444 57.375 56.287 -0.594 0.000 0.936 621 K CB -0.483 31.338 32.500 -1.130 0.000 0.722 621 K HN 0.145 nan 8.250 nan 0.000 0.446 622 L N 0.535 121.636 121.223 -0.203 0.000 2.072 622 L HA 0.060 4.388 4.340 -0.020 0.000 0.205 622 L C 1.922 178.550 176.870 -0.403 0.000 1.079 622 L CA 1.477 56.035 54.840 -0.469 0.000 0.752 622 L CB -0.416 41.228 42.059 -0.692 0.000 0.906 622 L HN 0.237 nan 8.230 nan 0.000 0.436 623 I N -0.377 120.012 120.570 -0.302 0.000 2.127 623 I HA -0.350 3.808 4.170 -0.020 0.000 0.241 623 I C 2.495 178.506 176.117 -0.177 0.000 1.075 623 I CA 1.993 63.168 61.300 -0.208 0.000 1.334 623 I CB -0.822 37.137 38.000 -0.068 0.000 1.040 623 I HN 0.495 nan 8.210 nan 0.000 0.405 624 T N -0.860 113.569 114.554 -0.207 0.000 2.867 624 T HA -0.067 4.271 4.350 -0.020 0.000 0.268 624 T C 1.973 176.606 174.700 -0.112 0.000 1.057 624 T CA 0.931 62.941 62.100 -0.150 0.000 1.136 624 T CB -0.437 68.304 68.868 -0.212 0.000 0.874 624 T HN 0.333 nan 8.240 nan 0.000 0.466 625 A N 1.661 124.408 122.820 -0.123 0.000 1.877 625 A HA 0.103 4.411 4.320 -0.020 0.000 0.216 625 A C 2.397 179.983 177.584 0.004 0.000 1.186 625 A CA 1.497 53.530 52.037 -0.007 0.000 0.620 625 A CB -0.882 18.218 19.000 0.167 0.000 0.822 625 A HN 0.593 nan 8.150 nan 0.000 0.443 626 I N -0.272 120.186 120.570 -0.187 0.000 2.226 626 I HA -0.216 3.942 4.170 -0.020 0.000 0.245 626 I C 2.705 178.777 176.117 -0.074 0.000 1.100 626 I CA 1.175 62.339 61.300 -0.228 0.000 1.374 626 I CB -0.605 37.127 38.000 -0.447 0.000 1.057 626 I HN 0.401 nan 8.210 nan 0.000 0.413 627 G N 0.271 109.020 108.800 -0.085 0.000 2.442 627 G HA2 -0.261 3.687 3.960 -0.020 0.000 0.219 627 G HA3 -0.261 3.687 3.960 -0.020 0.000 0.219 627 G C 1.271 176.169 174.900 -0.003 0.000 1.141 627 G CA 0.942 46.007 45.100 -0.058 0.000 0.763 627 G HN 0.284 nan 8.290 nan 0.000 0.554 628 D N -0.036 120.393 120.400 0.049 0.000 2.182 628 D HA -0.082 4.546 4.640 -0.020 0.000 0.201 628 D C 2.654 179.055 176.300 0.168 0.000 0.986 628 D CA 0.674 54.761 54.000 0.144 0.000 0.847 628 D CB -0.049 40.785 40.800 0.057 0.000 0.942 628 D HN 0.266 nan 8.370 nan 0.000 0.467 629 V N -0.026 119.906 119.914 0.030 0.000 2.341 629 V HA -0.122 3.986 4.120 -0.020 0.000 0.240 629 V C 2.600 178.628 176.094 -0.111 0.000 1.035 629 V CA 0.601 62.848 62.300 -0.088 0.000 1.033 629 V CB -0.294 31.374 31.823 -0.258 0.000 0.678 629 V HN 0.002 nan 8.190 nan 0.000 0.464 630 V N 1.244 121.037 119.914 -0.202 0.000 2.255 630 V HA -0.266 3.842 4.120 -0.020 0.000 0.247 630 V C 2.175 178.224 176.094 -0.075 0.000 1.051 630 V CA 2.302 64.490 62.300 -0.186 0.000 1.018 630 V CB -0.934 30.791 31.823 -0.163 0.000 0.641 630 V HN 0.591 nan 8.190 nan 0.000 0.445 631 N N -0.566 118.035 118.700 -0.165 0.000 2.573 631 N HA -0.109 4.619 4.740 -0.020 0.000 0.187 631 N C 1.276 176.471 175.510 -0.524 0.000 1.107 631 N CA 0.948 53.800 53.050 -0.329 0.000 0.918 631 N CB -0.291 37.937 38.487 -0.431 0.000 0.966 631 N HN 0.647 nan 8.380 nan 0.000 0.448 632 H N -1.274 117.805 119.070 0.015 0.000 2.784 632 H HA 0.138 4.682 4.556 -0.020 0.000 0.273 632 H C -0.362 174.990 175.328 0.040 0.000 1.112 632 H CA -0.381 55.679 56.048 0.020 0.000 1.162 632 H CB 0.815 30.576 29.762 -0.000 0.000 1.586 632 H HN 0.073 nan 8.280 nan 0.000 0.548 633 D N 3.502 123.979 120.400 0.128 0.000 2.336 633 D HA 0.036 4.664 4.640 -0.020 0.000 0.249 633 D C -1.338 175.024 176.300 0.104 0.000 1.213 633 D CA -1.880 52.212 54.000 0.154 0.000 0.870 633 D CB 1.970 42.940 40.800 0.282 0.000 1.076 633 D HN 0.098 nan 8.370 nan 0.000 0.483 634 P HA -0.188 nan 4.420 nan 0.000 0.216 634 P C 1.559 178.884 177.300 0.042 0.000 1.150 634 P CA 0.822 63.956 63.100 0.056 0.000 0.843 634 P CB 0.033 31.761 31.700 0.047 0.000 0.787 635 V N -1.963 117.975 119.914 0.040 0.000 2.759 635 V HA -0.108 3.999 4.120 -0.020 0.000 0.256 635 V C 2.083 178.182 176.094 0.008 0.000 1.080 635 V CA 1.490 63.799 62.300 0.015 0.000 1.101 635 V CB -1.154 30.666 31.823 -0.006 0.000 0.698 635 V HN -0.082 nan 8.190 nan 0.000 0.477 636 V N 1.212 121.148 119.914 0.037 0.000 2.446 636 V HA 0.271 4.379 4.120 -0.020 0.000 0.244 636 V C 2.229 178.334 176.094 0.018 0.000 1.039 636 V CA 1.417 63.739 62.300 0.035 0.000 1.045 636 V CB -1.189 30.703 31.823 0.115 0.000 0.681 636 V HN 0.960 nan 8.190 nan 0.000 0.459 637 G N 1.842 110.659 108.800 0.028 0.000 2.627 637 G HA2 -0.432 3.516 3.960 -0.020 0.000 0.312 637 G HA3 -0.432 3.516 3.960 -0.020 0.000 0.312 637 G C 0.754 175.664 174.900 0.016 0.000 1.299 637 G CA 0.613 45.727 45.100 0.023 0.000 0.989 637 G HN 0.601 nan 8.290 nan 0.000 0.547 638 D N 0.763 121.176 120.400 0.022 0.000 2.371 638 D HA -0.045 4.583 4.640 -0.020 0.000 0.221 638 D C 2.145 178.436 176.300 -0.015 0.000 0.986 638 D CA 1.049 55.062 54.000 0.022 0.000 0.899 638 D CB -0.153 40.673 40.800 0.043 0.000 0.902 638 D HN 0.616 nan 8.370 nan 0.000 0.530 639 R N -0.481 119.999 120.500 -0.034 0.000 2.148 639 R HA 0.156 4.484 4.340 -0.020 0.000 0.223 639 R C 0.403 176.649 176.300 -0.090 0.000 1.088 639 R CA 0.410 56.462 56.100 -0.081 0.000 0.985 639 R CB 0.063 30.302 30.300 -0.102 0.000 0.880 639 R HN 0.144 nan 8.270 nan 0.000 0.451 640 L N 0.069 121.258 121.223 -0.057 0.000 2.562 640 L HA 0.424 4.752 4.340 -0.020 0.000 0.266 640 L C -1.683 175.155 176.870 -0.054 0.000 0.949 640 L CA -0.693 54.110 54.840 -0.062 0.000 0.879 640 L CB 1.928 43.961 42.059 -0.043 0.000 1.278 640 L HN -0.227 nan 8.230 nan 0.000 0.404 641 R N 2.906 123.360 120.500 -0.077 0.000 2.561 641 R HA 0.844 5.172 4.340 -0.020 0.000 0.297 641 R C -1.677 174.563 176.300 -0.099 0.000 0.969 641 R CA -0.487 55.559 56.100 -0.089 0.000 0.879 641 R CB 2.282 32.522 30.300 -0.100 0.000 1.178 641 R HN 0.434 nan 8.270 nan 0.000 0.445 642 V N 6.393 126.249 119.914 -0.096 0.000 2.357 642 V HA 0.507 4.615 4.120 -0.020 0.000 0.284 642 V C -0.187 175.862 176.094 -0.074 0.000 1.018 642 V CA -0.610 61.636 62.300 -0.091 0.000 0.841 642 V CB 1.010 32.778 31.823 -0.093 0.000 0.991 642 V HN 0.714 nan 8.190 nan 0.000 0.437 643 I N 1.431 121.957 120.570 -0.072 0.000 2.730 643 I HA 0.685 4.843 4.170 -0.020 0.000 0.298 643 I C -1.386 174.721 176.117 -0.015 0.000 1.089 643 I CA -0.839 60.436 61.300 -0.042 0.000 1.041 643 I CB 2.310 40.264 38.000 -0.076 0.000 1.235 643 I HN 0.439 nan 8.210 nan 0.000 0.423 644 F N 6.417 126.306 119.950 -0.102 0.000 2.385 644 F HA 0.550 5.065 4.527 -0.020 0.000 0.360 644 F C -0.605 175.136 175.800 -0.098 0.000 1.122 644 F CA -0.668 57.274 58.000 -0.096 0.000 1.090 644 F CB 1.107 40.055 39.000 -0.087 0.000 1.150 644 F HN 0.386 nan 8.300 nan 0.000 0.472 645 L N 6.287 127.135 121.223 -0.626 0.000 2.342 645 L HA 0.181 4.509 4.340 -0.020 0.000 0.285 645 L C 0.464 177.096 176.870 -0.397 0.000 1.095 645 L CA -0.140 54.462 54.840 -0.397 0.000 0.843 645 L CB 0.348 42.257 42.059 -0.250 0.000 1.201 645 L HN 0.640 nan 8.230 nan 0.000 0.445 646 E N 4.436 124.549 120.200 -0.145 0.000 2.392 646 E HA -0.103 4.235 4.350 -0.020 0.000 0.264 646 E C 0.328 177.003 176.600 0.125 0.000 1.024 646 E CA -0.358 56.101 56.400 0.098 0.000 0.903 646 E CB 0.415 30.163 29.700 0.079 0.000 0.963 646 E HN 0.574 nan 8.360 nan 0.000 0.432 647 N N 2.815 121.646 118.700 0.218 0.000 2.696 647 N HA -0.283 4.445 4.740 -0.020 0.000 0.256 647 N C -1.685 173.920 175.510 0.159 0.000 1.031 647 N CA 0.583 53.745 53.050 0.187 0.000 0.730 647 N CB -1.504 37.105 38.487 0.203 0.000 0.894 647 N HN 0.499 nan 8.380 nan 0.000 0.544 648 Y N 1.993 122.305 120.300 0.020 0.000 2.544 648 Y HA 0.282 4.819 4.550 -0.020 0.000 0.330 648 Y C 1.027 176.946 175.900 0.031 0.000 1.136 648 Y CA 0.217 58.315 58.100 -0.004 0.000 1.417 648 Y CB 0.345 38.772 38.460 -0.054 0.000 1.229 648 Y HN 0.396 nan 8.280 nan 0.000 0.532 649 R N 2.756 122.944 120.500 -0.519 0.000 2.766 649 R HA 0.475 4.803 4.340 -0.020 0.000 0.270 649 R C -0.354 175.604 176.300 -0.569 0.000 1.035 649 R CA -0.667 55.180 56.100 -0.422 0.000 0.911 649 R CB 0.499 30.731 30.300 -0.112 0.000 1.243 649 R HN 0.385 nan 8.270 nan 0.000 0.460 650 V N 1.068 120.667 119.914 -0.525 0.000 2.317 650 V HA -0.309 3.799 4.120 -0.020 0.000 0.251 650 V C 2.572 178.520 176.094 -0.242 0.000 1.065 650 V CA 2.872 64.931 62.300 -0.402 0.000 1.049 650 V CB -0.809 30.757 31.823 -0.428 0.000 0.651 650 V HN 0.936 nan 8.190 nan 0.000 0.450 651 S N -0.181 115.400 115.700 -0.198 0.000 2.402 651 S HA -0.131 4.327 4.470 -0.020 0.000 0.229 651 S C 1.914 176.448 174.600 -0.110 0.000 1.021 651 S CA 1.426 59.538 58.200 -0.145 0.000 0.974 651 S CB -0.430 62.716 63.200 -0.090 0.000 0.800 651 S HN 0.391 nan 8.310 nan 0.000 0.484 652 L N 2.081 123.247 121.223 -0.095 0.000 2.109 652 L HA 0.330 4.658 4.340 -0.020 0.000 0.207 652 L C 2.646 179.521 176.870 0.007 0.000 1.086 652 L CA 1.375 56.206 54.840 -0.015 0.000 0.760 652 L CB -1.399 40.706 42.059 0.076 0.000 0.910 652 L HN 0.359 nan 8.230 nan 0.000 0.437 653 A N -0.580 122.213 122.820 -0.045 0.000 1.908 653 A HA -0.231 4.077 4.320 -0.020 0.000 0.218 653 A C 2.107 179.753 177.584 0.102 0.000 1.181 653 A CA 1.823 53.918 52.037 0.096 0.000 0.627 653 A CB -0.615 18.444 19.000 0.098 0.000 0.818 653 A HN 0.611 nan 8.150 nan 0.000 0.445 654 E N -0.476 119.758 120.200 0.058 0.000 2.338 654 E HA -0.152 4.186 4.350 -0.020 0.000 0.197 654 E C 1.824 178.395 176.600 -0.048 0.000 1.007 654 E CA 1.084 57.478 56.400 -0.011 0.000 0.849 654 E CB -0.053 29.536 29.700 -0.185 0.000 0.774 654 E HN 0.620 nan 8.360 nan 0.000 0.506 655 K N 0.070 120.431 120.400 -0.065 0.000 2.141 655 K HA 0.033 4.341 4.320 -0.020 0.000 0.202 655 K C 2.123 178.629 176.600 -0.155 0.000 1.045 655 K CA 0.352 56.606 56.287 -0.055 0.000 0.971 655 K CB 0.100 32.546 32.500 -0.089 0.000 0.795 655 K HN -0.060 nan 8.250 nan 0.000 0.459 656 V N 1.658 121.380 119.914 -0.321 0.000 2.488 656 V HA -0.101 4.007 4.120 -0.020 0.000 0.246 656 V C 1.858 177.676 176.094 -0.460 0.000 1.046 656 V CA 1.155 62.983 62.300 -0.786 0.000 1.053 656 V CB -0.109 31.326 31.823 -0.646 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.776 121.136 120.570 -0.351 0.000 2.226 657 I HA -0.112 4.046 4.170 -0.020 0.000 0.245 657 I C -0.369 175.597 176.117 -0.252 0.000 1.100 657 I CA 1.523 62.523 61.300 -0.501 0.000 1.374 657 I CB -1.299 36.298 38.000 -0.670 0.000 1.057 657 I HN 0.373 nan 8.210 nan 0.000 0.413 658 P HA -0.086 nan 4.420 nan 0.000 0.230 658 P C 0.714 178.010 177.300 -0.007 0.000 1.158 658 P CA 1.023 64.096 63.100 -0.045 0.000 0.769 658 P CB 0.054 31.744 31.700 -0.016 0.000 0.807 659 A N -1.288 121.515 122.820 -0.028 0.000 2.387 659 A HA 0.550 4.858 4.320 -0.020 0.000 0.234 659 A C 1.042 178.740 177.584 0.190 0.000 1.253 659 A CA -0.060 52.024 52.037 0.079 0.000 0.894 659 A CB -0.456 18.620 19.000 0.127 0.000 0.963 659 A HN 0.179 nan 8.150 nan 0.000 0.508 660 A N -0.217 122.692 122.820 0.149 0.000 2.327 660 A HA 0.514 4.822 4.320 -0.020 0.000 0.283 660 A C 0.328 178.065 177.584 0.254 0.000 1.127 660 A CA -0.253 51.943 52.037 0.265 0.000 0.810 660 A CB 0.414 19.680 19.000 0.444 0.000 1.066 660 A HN 0.233 nan 8.150 nan 0.000 0.492 661 D N 0.362 120.909 120.400 0.246 0.000 2.414 661 D HA 0.091 4.719 4.640 -0.020 0.000 0.237 661 D C -0.151 176.372 176.300 0.371 0.000 0.975 661 D CA 0.892 55.089 54.000 0.327 0.000 0.917 661 D CB 0.166 41.058 40.800 0.155 0.000 1.061 661 D HN 0.370 nan 8.370 nan 0.000 0.480 662 L N 0.840 122.169 121.223 0.177 0.000 2.305 662 L HA 0.338 4.666 4.340 -0.020 0.000 0.284 662 L C -0.544 176.219 176.870 -0.179 0.000 1.013 662 L CA -0.474 54.391 54.840 0.042 0.000 0.819 662 L CB 1.841 43.893 42.059 -0.011 0.000 1.227 662 L HN -0.260 nan 8.230 nan 0.000 0.417 663 S N 4.628 120.127 115.700 -0.334 0.000 2.410 663 S HA 0.387 4.845 4.470 -0.020 0.000 0.304 663 S C -0.409 173.882 174.600 -0.515 0.000 1.095 663 S CA -0.661 57.060 58.200 -0.798 0.000 1.089 663 S CB 0.157 62.836 63.200 -0.869 0.000 0.968 663 S HN 0.638 nan 8.310 nan 0.000 0.480 664 E N 3.974 123.886 120.200 -0.479 0.000 2.223 664 E HA 0.196 4.534 4.350 -0.020 0.000 0.282 664 E C -0.413 176.059 176.600 -0.213 0.000 1.046 664 E CA -0.317 55.941 56.400 -0.236 0.000 0.857 664 E CB 0.896 30.498 29.700 -0.162 0.000 1.055 664 E HN 0.623 nan 8.360 nan 0.000 0.409 665 Q N 2.652 122.395 119.800 -0.095 0.000 3.230 665 Q HA 0.226 4.554 4.340 -0.020 0.000 0.303 665 Q C 0.550 176.546 176.000 -0.007 0.000 0.884 665 Q CA -0.074 55.688 55.803 -0.068 0.000 0.859 665 Q CB 0.139 28.849 28.738 -0.047 0.000 1.432 665 Q HN 0.628 nan 8.270 nan 0.000 0.403 666 I N -1.600 118.955 120.570 -0.025 0.000 3.850 666 I HA 0.253 4.411 4.170 -0.020 0.000 0.333 666 I C 0.465 176.536 176.117 -0.076 0.000 1.511 666 I CA -0.543 60.753 61.300 -0.005 0.000 1.199 666 I CB 0.107 38.089 38.000 -0.031 0.000 1.217 666 I HN -0.020 nan 8.210 nan 0.000 0.423 667 S N 0.378 116.031 115.700 -0.080 0.000 2.579 667 S HA 0.185 4.643 4.470 -0.020 0.000 0.275 667 S C 0.542 175.125 174.600 -0.028 0.000 1.345 667 S CA -0.333 57.835 58.200 -0.053 0.000 1.031 667 S CB 0.502 63.713 63.200 0.019 0.000 0.892 667 S HN 0.392 nan 8.310 nan 0.000 0.529 668 T N 2.713 117.288 114.554 0.035 0.000 2.902 668 T HA 0.380 4.718 4.350 -0.020 0.000 0.301 668 T C 0.731 175.443 174.700 0.019 0.000 1.012 668 T CA 0.283 62.407 62.100 0.041 0.000 1.151 668 T CB 0.019 68.986 68.868 0.164 0.000 0.946 668 T HN 1.012 nan 8.240 nan 0.000 0.542 669 A N 2.875 125.670 122.820 -0.042 0.000 2.573 669 A HA 0.436 4.744 4.320 -0.020 0.000 0.250 669 A C 1.634 179.207 177.584 -0.017 0.000 1.049 669 A CA 0.337 52.345 52.037 -0.048 0.000 0.767 669 A CB -0.978 17.977 19.000 -0.076 0.000 0.965 669 A HN 1.659 nan 8.150 nan 0.000 0.514 670 G N 1.598 110.391 108.800 -0.013 0.000 2.176 670 G HA2 -0.243 3.705 3.960 -0.020 0.000 0.232 670 G HA3 -0.243 3.705 3.960 -0.020 0.000 0.232 670 G C 0.876 175.773 174.900 -0.005 0.000 0.986 670 G CA 1.076 46.172 45.100 -0.007 0.000 0.643 670 G HN 1.931 nan 8.290 nan 0.000 0.522 671 T N -2.310 112.247 114.554 0.005 0.000 3.046 671 T HA 0.370 4.708 4.350 -0.020 0.000 0.242 671 T C 0.845 175.440 174.700 -0.174 0.000 1.018 671 T CA 1.106 63.167 62.100 -0.065 0.000 1.131 671 T CB 0.414 69.319 68.868 0.061 0.000 0.904 671 T HN 0.297 nan 8.240 nan 0.000 0.459 672 E N 1.633 121.841 120.200 0.015 0.000 1.996 672 E HA 0.631 4.969 4.350 -0.020 0.000 0.280 672 E C 1.224 177.787 176.600 -0.062 0.000 1.092 672 E CA 0.093 56.531 56.400 0.064 0.000 0.862 672 E CB 0.595 30.378 29.700 0.139 0.000 1.066 672 E HN 0.373 nan 8.360 nan 0.000 0.396 673 A N 3.421 126.125 122.820 -0.194 0.000 1.958 673 A HA -0.249 4.059 4.320 -0.020 0.000 0.221 673 A C 1.967 179.439 177.584 -0.186 0.000 1.178 673 A CA 2.330 54.129 52.037 -0.397 0.000 0.642 673 A CB -0.225 18.264 19.000 -0.852 0.000 0.816 673 A HN 0.631 nan 8.150 nan 0.000 0.453 674 S N -4.408 111.236 115.700 -0.092 0.000 4.257 674 S HA 0.435 4.893 4.470 -0.020 0.000 0.208 674 S C 0.674 175.263 174.600 -0.018 0.000 1.152 674 S CA 1.339 59.524 58.200 -0.025 0.000 1.110 674 S CB -0.305 62.901 63.200 0.010 0.000 1.434 674 S HN 2.348 nan 8.310 nan 0.000 0.509 675 G N 0.258 109.053 108.800 -0.009 0.000 2.705 675 G HA2 0.005 3.953 3.960 -0.020 0.000 0.686 675 G HA3 0.005 3.953 3.960 -0.020 0.000 0.686 675 G C 0.233 175.112 174.900 -0.035 0.000 1.285 675 G CA 0.450 45.539 45.100 -0.017 0.000 0.800 675 G HN 1.399 nan 8.290 nan 0.000 0.611 676 T N -1.946 112.573 114.554 -0.058 0.000 3.051 676 T HA 0.365 4.703 4.350 -0.020 0.000 0.254 676 T C 2.389 176.985 174.700 -0.174 0.000 0.916 676 T CA 1.219 63.255 62.100 -0.107 0.000 0.894 676 T CB 0.211 69.008 68.868 -0.118 0.000 1.251 676 T HN 1.862 nan 8.240 nan 0.000 0.517 677 G N 3.309 112.034 108.800 -0.126 0.000 2.442 677 G HA2 -0.271 3.677 3.960 -0.020 0.000 0.219 677 G HA3 -0.271 3.677 3.960 -0.020 0.000 0.219 677 G C 1.531 176.473 174.900 0.070 0.000 1.141 677 G CA 1.352 46.395 45.100 -0.094 0.000 0.763 677 G HN 0.677 nan 8.290 nan 0.000 0.554 678 N N 1.242 119.960 118.700 0.029 0.000 2.104 678 N HA -0.179 4.549 4.740 -0.020 0.000 0.190 678 N C 2.035 177.541 175.510 -0.007 0.000 1.024 678 N CA 1.973 55.038 53.050 0.026 0.000 0.853 678 N CB -0.725 37.733 38.487 -0.049 0.000 1.008 678 N HN 0.427 nan 8.380 nan 0.000 0.424 679 M N 0.122 119.654 119.600 -0.113 0.000 2.175 679 M HA 0.010 4.478 4.480 -0.020 0.000 0.264 679 M C 1.924 178.175 176.300 -0.081 0.000 1.063 679 M CA 1.399 56.616 55.300 -0.138 0.000 1.119 679 M CB -0.295 32.228 32.600 -0.127 0.000 1.377 679 M HN 0.113 nan 8.290 nan 0.000 0.415 680 K N 0.235 120.521 120.400 -0.190 0.000 2.057 680 K HA -0.100 4.208 4.320 -0.020 0.000 0.207 680 K C 1.730 178.240 176.600 -0.151 0.000 1.049 680 K CA 1.382 57.497 56.287 -0.286 0.000 0.931 680 K CB -0.302 31.796 32.500 -0.672 0.000 0.714 680 K HN 0.128 nan 8.250 nan 0.000 0.440 681 F N 1.193 121.067 119.950 -0.126 0.000 2.134 681 F HA -0.142 4.372 4.527 -0.021 0.000 0.299 681 F C 2.567 178.336 175.800 -0.050 0.000 1.097 681 F CA 1.295 59.247 58.000 -0.079 0.000 1.264 681 F CB -0.258 38.686 39.000 -0.094 0.000 1.001 681 F HN 0.002 nan 8.300 nan 0.000 0.479 682 M N -0.555 119.130 119.600 0.142 0.000 2.117 682 M HA -0.179 4.289 4.480 -0.020 0.000 0.262 682 M C 2.065 178.415 176.300 0.084 0.000 1.065 682 M CA 1.538 56.889 55.300 0.086 0.000 1.114 682 M CB -0.236 32.409 32.600 0.075 0.000 1.361 682 M HN 0.252 nan 8.290 nan 0.000 0.408 683 L N 0.740 122.011 121.223 0.080 0.000 2.362 683 L HA -0.068 4.260 4.340 -0.020 0.000 0.219 683 L C 0.622 177.534 176.870 0.070 0.000 1.134 683 L CA 1.726 56.619 54.840 0.088 0.000 0.807 683 L CB -0.538 41.584 42.059 0.104 0.000 0.927 683 L HN 0.332 nan 8.230 nan 0.000 0.447 684 N N -0.268 118.465 118.700 0.055 0.000 2.273 684 N HA 0.358 5.086 4.740 -0.020 0.000 0.231 684 N C 0.562 176.103 175.510 0.052 0.000 1.134 684 N CA 0.610 53.686 53.050 0.044 0.000 0.856 684 N CB 0.636 39.129 38.487 0.010 0.000 1.068 684 N HN 0.271 nan 8.380 nan 0.000 0.510 685 G N -0.265 108.569 108.800 0.056 0.000 2.171 685 G HA2 -0.132 3.816 3.960 -0.020 0.000 0.238 685 G HA3 -0.132 3.816 3.960 -0.020 0.000 0.238 685 G C -0.130 174.828 174.900 0.097 0.000 1.039 685 G CA 0.081 45.213 45.100 0.053 0.000 0.759 685 G HN 0.524 nan 8.290 nan 0.000 0.501 686 A N -0.313 122.573 122.820 0.110 0.000 2.355 686 A HA 0.882 5.190 4.320 -0.020 0.000 0.324 686 A C 0.132 177.713 177.584 -0.004 0.000 1.117 686 A CA -0.704 51.419 52.037 0.144 0.000 0.785 686 A CB 1.223 20.385 19.000 0.269 0.000 1.254 686 A HN 0.730 nan 8.150 nan 0.000 0.453 687 L N 1.402 122.584 121.223 -0.070 0.000 2.334 687 L HA 0.407 4.734 4.340 -0.020 0.000 0.277 687 L C 0.076 176.814 176.870 -0.219 0.000 1.075 687 L CA -0.362 54.331 54.840 -0.244 0.000 0.804 687 L CB 1.682 43.474 42.059 -0.445 0.000 1.174 687 L HN 0.713 nan 8.230 nan 0.000 0.438 688 T N 4.086 118.382 114.554 -0.430 0.000 2.767 688 T HA 0.428 4.766 4.350 -0.020 0.000 0.288 688 T C -0.237 174.338 174.700 -0.208 0.000 0.963 688 T CA -0.168 61.669 62.100 -0.439 0.000 1.019 688 T CB 1.298 69.733 68.868 -0.722 0.000 0.923 688 T HN 0.370 nan 8.240 nan 0.000 0.468 689 I N 3.078 123.613 120.570 -0.058 0.000 2.355 689 I HA 0.706 4.864 4.170 -0.020 0.000 0.288 689 I C 0.109 176.378 176.117 0.252 0.000 0.999 689 I CA 0.082 61.461 61.300 0.131 0.000 1.163 689 I CB 0.227 38.217 38.000 -0.016 0.000 1.316 689 I HN 0.775 nan 8.210 nan 0.000 0.454 690 G N 4.001 113.055 108.800 0.423 0.000 2.600 690 G HA2 0.468 4.416 3.960 -0.020 0.000 0.293 690 G HA3 0.468 4.416 3.960 -0.020 0.000 0.293 690 G C -0.881 174.023 174.900 0.006 0.000 1.408 690 G CA -0.292 45.001 45.100 0.321 0.000 0.782 690 G HN 0.563 nan 8.290 nan 0.000 0.482 691 T N -1.661 112.737 114.554 -0.259 0.000 2.824 691 T HA 0.544 4.882 4.350 -0.020 0.000 0.277 691 T C 0.639 175.230 174.700 -0.182 0.000 0.975 691 T CA -0.661 61.177 62.100 -0.437 0.000 0.966 691 T CB 1.088 69.701 68.868 -0.424 0.000 1.054 691 T HN 0.248 nan 8.240 nan 0.000 0.533 692 M N 2.582 122.079 119.600 -0.173 0.000 3.422 692 M HA 0.349 4.817 4.480 -0.020 0.000 0.248 692 M C -0.630 175.615 176.300 -0.091 0.000 1.433 692 M CA -0.152 55.082 55.300 -0.110 0.000 1.592 692 M CB -1.436 31.105 32.600 -0.099 0.000 1.078 692 M HN 0.703 nan 8.290 nan 0.000 0.578 693 D N -0.138 120.217 120.400 -0.076 0.000 2.671 693 D HA 0.674 5.302 4.640 -0.020 0.000 0.232 693 D C 0.780 177.059 176.300 -0.035 0.000 1.114 693 D CA 0.732 54.702 54.000 -0.050 0.000 0.858 693 D CB 1.862 42.635 40.800 -0.045 0.000 1.544 693 D HN 0.602 nan 8.370 nan 0.000 0.471 694 G N 1.959 110.748 108.800 -0.019 0.000 2.672 694 G HA2 -0.290 3.658 3.960 -0.020 0.000 0.324 694 G HA3 -0.290 3.658 3.960 -0.020 0.000 0.324 694 G C 0.988 175.881 174.900 -0.011 0.000 1.286 694 G CA 1.265 46.358 45.100 -0.010 0.000 1.004 694 G HN 1.034 nan 8.290 nan 0.000 0.548 695 A N -0.126 122.679 122.820 -0.024 0.000 2.208 695 A HA 0.212 4.520 4.320 -0.020 0.000 0.209 695 A C 2.049 179.563 177.584 -0.116 0.000 1.161 695 A CA 1.589 53.603 52.037 -0.037 0.000 0.782 695 A CB -0.343 18.624 19.000 -0.056 0.000 0.816 695 A HN 0.563 nan 8.150 nan 0.000 0.477 696 N N 0.597 119.241 118.700 -0.094 0.000 2.104 696 N HA -0.150 4.578 4.740 -0.020 0.000 0.190 696 N C 1.658 177.045 175.510 -0.206 0.000 1.024 696 N CA 1.608 54.598 53.050 -0.099 0.000 0.853 696 N CB -0.575 37.901 38.487 -0.019 0.000 1.008 696 N HN 0.262 nan 8.380 nan 0.000 0.424 697 V N 1.396 121.229 119.914 -0.136 0.000 2.252 697 V HA -0.236 3.872 4.120 -0.020 0.000 0.249 697 V C 1.960 177.974 176.094 -0.134 0.000 1.056 697 V CA 1.772 63.989 62.300 -0.138 0.000 1.022 697 V CB -0.526 31.251 31.823 -0.076 0.000 0.641 697 V HN 0.363 nan 8.190 nan 0.000 0.445 698 E N -0.707 119.471 120.200 -0.037 0.000 2.208 698 E HA -0.135 4.203 4.350 -0.020 0.000 0.193 698 E C 2.179 178.886 176.600 0.179 0.000 0.988 698 E CA 1.031 57.485 56.400 0.090 0.000 0.828 698 E CB -0.166 29.676 29.700 0.237 0.000 0.763 698 E HN 0.570 nan 8.360 nan 0.000 0.478 699 M N 0.179 119.748 119.600 -0.053 0.000 2.156 699 M HA -0.069 4.399 4.480 -0.020 0.000 0.264 699 M C 2.458 178.492 176.300 -0.444 0.000 1.067 699 M CA 1.275 56.481 55.300 -0.157 0.000 1.131 699 M CB -0.075 32.320 32.600 -0.342 0.000 1.368 699 M HN 0.125 nan 8.290 nan 0.000 0.416 700 A N 0.112 122.380 122.820 -0.920 0.000 1.930 700 A HA -0.203 4.105 4.320 -0.020 0.000 0.217 700 A C 2.009 179.369 177.584 -0.375 0.000 1.175 700 A CA 1.871 53.280 52.037 -1.047 0.000 0.627 700 A CB -0.759 17.711 19.000 -0.883 0.000 0.815 700 A HN 0.574 nan 8.150 nan 0.000 0.443 701 E N -0.323 119.742 120.200 -0.225 0.000 2.110 701 E HA -0.211 4.127 4.350 -0.020 0.000 0.193 701 E C 1.705 178.274 176.600 -0.051 0.000 0.988 701 E CA 1.236 57.573 56.400 -0.105 0.000 0.804 701 E CB -0.070 29.592 29.700 -0.064 0.000 0.745 701 E HN 0.569 nan 8.360 nan 0.000 0.458 702 E N 0.086 120.284 120.200 -0.002 0.000 2.072 702 E HA -0.121 4.217 4.350 -0.020 0.000 0.190 702 E C 1.845 178.473 176.600 0.046 0.000 0.982 702 E CA 1.086 57.511 56.400 0.042 0.000 0.803 702 E CB -0.103 29.679 29.700 0.137 0.000 0.755 702 E HN 0.364 nan 8.360 nan 0.000 0.453 703 A N 0.412 123.267 122.820 0.058 0.000 1.984 703 A HA 0.345 4.653 4.320 -0.020 0.000 0.214 703 A C 1.084 178.692 177.584 0.041 0.000 1.173 703 A CA 1.118 53.207 52.037 0.087 0.000 0.673 703 A CB 0.101 19.222 19.000 0.201 0.000 0.830 703 A HN 0.252 nan 8.150 nan 0.000 0.453 704 G N -0.450 108.347 108.800 -0.005 0.000 3.367 704 G HA2 -0.062 3.886 3.960 -0.020 0.000 0.686 704 G HA3 -0.062 3.886 3.960 -0.020 0.000 0.686 704 G C -0.089 174.801 174.900 -0.017 0.000 1.146 704 G CA -0.001 45.086 45.100 -0.021 0.000 0.913 704 G HN 0.227 nan 8.290 nan 0.000 0.554 705 E N 0.553 120.723 120.200 -0.050 0.000 2.273 705 E HA -0.209 4.129 4.350 -0.020 0.000 0.198 705 E C 2.277 178.861 176.600 -0.027 0.000 1.002 705 E CA 1.322 57.703 56.400 -0.032 0.000 0.828 705 E CB 0.144 29.815 29.700 -0.048 0.000 0.747 705 E HN 0.797 nan 8.360 nan 0.000 0.491 706 E N 0.672 120.843 120.200 -0.048 0.000 2.347 706 E HA -0.137 4.201 4.350 -0.020 0.000 0.196 706 E C 0.904 177.415 176.600 -0.147 0.000 1.008 706 E CA 0.705 57.052 56.400 -0.089 0.000 0.852 706 E CB -0.011 29.652 29.700 -0.061 0.000 0.783 706 E HN 0.172 nan 8.360 nan 0.000 0.505 707 N N -0.397 118.250 118.700 -0.087 0.000 2.214 707 N HA 0.171 4.899 4.740 -0.020 0.000 0.214 707 N C -0.897 174.533 175.510 -0.134 0.000 1.132 707 N CA 0.012 52.990 53.050 -0.119 0.000 0.856 707 N CB 0.276 38.750 38.487 -0.021 0.000 1.020 707 N HN 0.036 nan 8.380 nan 0.000 0.509 708 F N -0.739 119.000 119.950 -0.353 0.000 2.639 708 F HA 0.460 4.974 4.527 -0.021 0.000 0.339 708 F C -0.464 175.030 175.800 -0.510 0.000 1.071 708 F CA -1.125 56.697 58.000 -0.296 0.000 0.994 708 F CB 1.176 40.097 39.000 -0.131 0.000 1.341 708 F HN -0.251 nan 8.300 nan 0.000 0.498 709 F N 3.271 123.245 119.950 0.039 0.000 2.542 709 F HA 0.361 4.876 4.527 -0.020 0.000 0.323 709 F C -0.501 175.443 175.800 0.240 0.000 1.411 709 F CA -0.557 57.491 58.000 0.080 0.000 1.124 709 F CB 0.042 39.024 39.000 -0.029 0.000 1.331 709 F HN -0.054 nan 8.300 nan 0.000 0.560 710 I N 2.451 123.236 120.570 0.358 0.000 2.575 710 I HA 0.246 4.404 4.170 -0.020 0.000 0.285 710 I C 0.088 176.397 176.117 0.320 0.000 1.085 710 I CA -0.197 61.279 61.300 0.293 0.000 1.403 710 I CB 0.277 38.363 38.000 0.143 0.000 1.409 710 I HN 0.294 nan 8.210 nan 0.000 0.557 711 F N 2.448 122.462 119.950 0.108 0.000 2.923 711 F HA 0.818 5.333 4.527 -0.021 0.000 0.323 711 F C 0.215 176.054 175.800 0.065 0.000 1.189 711 F CA -0.434 57.620 58.000 0.089 0.000 0.930 711 F CB 0.633 39.701 39.000 0.114 0.000 1.414 711 F HN 0.770 nan 8.300 nan 0.000 0.496 712 G N 0.974 109.844 108.800 0.117 0.000 2.801 712 G HA2 -0.181 3.767 3.960 -0.020 0.000 0.244 712 G HA3 -0.181 3.767 3.960 -0.020 0.000 0.244 712 G C -0.447 174.405 174.900 -0.080 0.000 1.385 712 G CA -0.284 44.810 45.100 -0.010 0.000 0.894 712 G HN 0.972 nan 8.290 nan 0.000 0.562 713 M N -0.329 119.239 119.600 -0.053 0.000 2.252 713 M HA 0.308 4.776 4.480 -0.020 0.000 0.321 713 M C 1.056 177.307 176.300 -0.081 0.000 1.070 713 M CA 0.674 55.949 55.300 -0.042 0.000 1.143 713 M CB 0.283 32.867 32.600 -0.027 0.000 1.498 713 M HN 0.610 nan 8.290 nan 0.000 0.445 714 R N 0.076 120.546 120.500 -0.051 0.000 2.782 714 R HA 0.396 4.724 4.340 -0.020 0.000 0.258 714 R C 0.928 177.202 176.300 -0.044 0.000 1.055 714 R CA -0.583 55.483 56.100 -0.056 0.000 1.065 714 R CB 1.236 31.511 30.300 -0.041 0.000 1.172 714 R HN 0.561 nan 8.270 nan 0.000 0.510 715 V N 1.412 121.300 119.914 -0.044 0.000 2.282 715 V HA -0.297 3.811 4.120 -0.020 0.000 0.249 715 V C 1.435 177.512 176.094 -0.028 0.000 1.057 715 V CA 2.203 64.482 62.300 -0.036 0.000 1.032 715 V CB -0.497 31.304 31.823 -0.037 0.000 0.645 715 V HN 0.728 nan 8.190 nan 0.000 0.447 716 E N 0.021 120.206 120.200 -0.024 0.000 2.204 716 E HA -0.186 4.152 4.350 -0.020 0.000 0.195 716 E C 1.839 178.436 176.600 -0.005 0.000 0.990 716 E CA 1.277 57.668 56.400 -0.015 0.000 0.821 716 E CB -0.345 29.347 29.700 -0.013 0.000 0.750 716 E HN 0.632 nan 8.360 nan 0.000 0.477 717 D N -0.060 120.337 120.400 -0.005 0.000 2.162 717 D HA -0.105 4.523 4.640 -0.020 0.000 0.203 717 D C 2.126 178.432 176.300 0.010 0.000 0.967 717 D CA 1.348 55.355 54.000 0.010 0.000 0.840 717 D CB -0.095 40.713 40.800 0.012 0.000 0.972 717 D HN 0.256 nan 8.370 nan 0.000 0.482 718 V N 0.410 120.316 119.914 -0.013 0.000 2.453 718 V HA -0.145 3.963 4.120 -0.020 0.000 0.247 718 V C 1.565 177.650 176.094 -0.016 0.000 1.048 718 V CA 1.686 63.969 62.300 -0.028 0.000 1.049 718 V CB -0.282 31.508 31.823 -0.054 0.000 0.672 718 V HN -0.172 nan 8.190 nan 0.000 0.457 719 D N 0.545 120.938 120.400 -0.012 0.000 2.117 719 D HA -0.135 4.493 4.640 -0.020 0.000 0.197 719 D C 2.397 178.703 176.300 0.009 0.000 0.987 719 D CA 1.707 55.702 54.000 -0.007 0.000 0.829 719 D CB -0.277 40.516 40.800 -0.012 0.000 0.961 719 D HN 0.474 nan 8.370 nan 0.000 0.460 720 R N -0.257 120.253 120.500 0.017 0.000 2.096 720 R HA -0.078 4.250 4.340 -0.020 0.000 0.235 720 R C 2.087 178.417 176.300 0.051 0.000 1.127 720 R CA 0.421 56.539 56.100 0.031 0.000 0.968 720 R CB -0.273 30.047 30.300 0.033 0.000 0.861 720 R HN 0.100 nan 8.270 nan 0.000 0.440 721 L N 1.169 122.430 121.223 0.064 0.000 2.141 721 L HA -0.154 4.174 4.340 -0.020 0.000 0.209 721 L C 1.223 178.152 176.870 0.099 0.000 1.094 721 L CA 1.856 56.761 54.840 0.109 0.000 0.763 721 L CB -0.495 41.638 42.059 0.123 0.000 0.908 721 L HN 0.099 nan 8.230 nan 0.000 0.437 722 D N -1.030 119.401 120.400 0.052 0.000 2.117 722 D HA -0.173 4.455 4.640 -0.020 0.000 0.198 722 D C 2.158 178.483 176.300 0.042 0.000 0.982 722 D CA 0.946 54.970 54.000 0.041 0.000 0.828 722 D CB 0.047 40.851 40.800 0.007 0.000 0.967 722 D HN 0.455 nan 8.370 nan 0.000 0.464 723 Q N 0.044 119.865 119.800 0.035 0.000 2.135 723 Q HA -0.151 4.177 4.340 -0.020 0.000 0.204 723 Q C 2.050 178.072 176.000 0.036 0.000 0.981 723 Q CA 1.346 57.166 55.803 0.029 0.000 0.856 723 Q CB -0.018 28.733 28.738 0.023 0.000 0.902 723 Q HN 0.347 nan 8.270 nan 0.000 0.425 724 R N -0.777 119.752 120.500 0.049 0.000 2.290 724 R HA 0.281 4.609 4.340 -0.020 0.000 0.197 724 R C 0.108 176.444 176.300 0.060 0.000 0.913 724 R CA 0.574 56.703 56.100 0.049 0.000 1.040 724 R CB 0.543 30.874 30.300 0.051 0.000 0.992 724 R HN 0.058 nan 8.270 nan 0.000 0.500 725 G N 0.987 109.835 108.800 0.081 0.000 3.067 725 G HA2 -0.250 3.698 3.960 -0.020 0.000 0.686 725 G HA3 -0.250 3.698 3.960 -0.020 0.000 0.686 725 G C -1.580 173.414 174.900 0.157 0.000 1.119 725 G CA -0.449 44.709 45.100 0.096 0.000 0.790 725 G HN 0.288 nan 8.290 nan 0.000 0.605 726 Y N 2.948 123.271 120.300 0.039 0.000 2.404 726 Y HA 0.641 5.179 4.550 -0.020 0.000 0.344 726 Y C 0.167 176.109 175.900 0.069 0.000 0.995 726 Y CA -1.575 56.566 58.100 0.069 0.000 1.201 726 Y CB 1.360 39.835 38.460 0.026 0.000 1.151 726 Y HN 0.620 nan 8.280 nan 0.000 0.517 727 N N 4.768 123.259 118.700 -0.349 0.000 2.626 727 N HA 0.341 5.069 4.740 -0.020 0.000 0.242 727 N C 0.338 175.611 175.510 -0.395 0.000 1.005 727 N CA 0.269 53.119 53.050 -0.335 0.000 0.905 727 N CB 1.097 39.512 38.487 -0.120 0.000 1.128 727 N HN 0.771 nan 8.380 nan 0.000 0.512 728 A N 2.574 125.012 122.820 -0.638 0.000 2.024 728 A HA -0.203 4.105 4.320 -0.020 0.000 0.220 728 A C 1.877 179.570 177.584 0.181 0.000 1.164 728 A CA 1.447 53.344 52.037 -0.232 0.000 0.643 728 A CB -0.373 18.384 19.000 -0.406 0.000 0.806 728 A HN 0.693 nan 8.150 nan 0.000 0.451 729 Q N 0.166 119.959 119.800 -0.013 0.000 2.124 729 Q HA -0.195 4.133 4.340 -0.020 0.000 0.202 729 Q C 1.895 177.970 176.000 0.124 0.000 0.977 729 Q CA 2.099 57.933 55.803 0.051 0.000 0.850 729 Q CB -0.318 28.402 28.738 -0.029 0.000 0.901 729 Q HN 0.781 nan 8.270 nan 0.000 0.429 730 E N -1.236 118.983 120.200 0.032 0.000 2.058 730 E HA -0.236 4.102 4.350 -0.020 0.000 0.194 730 E C 1.513 178.058 176.600 -0.091 0.000 0.997 730 E CA 1.493 57.840 56.400 -0.088 0.000 0.801 730 E CB -0.227 29.313 29.700 -0.268 0.000 0.746 730 E HN 0.573 nan 8.360 nan 0.000 0.450 731 Y N -1.134 119.231 120.300 0.109 0.000 2.293 731 Y HA -0.190 4.348 4.550 -0.020 0.000 0.291 731 Y C 2.152 178.061 175.900 0.016 0.000 1.137 731 Y CA 1.393 59.552 58.100 0.098 0.000 1.202 731 Y CB -0.605 37.966 38.460 0.185 0.000 0.990 731 Y HN 0.267 nan 8.280 nan 0.000 0.537 732 Y N 1.129 121.470 120.300 0.068 0.000 2.220 732 Y HA -0.189 4.349 4.550 -0.020 0.000 0.291 732 Y C 1.757 177.632 175.900 -0.041 0.000 1.129 732 Y CA 1.607 59.666 58.100 -0.069 0.000 1.161 732 Y CB -0.306 38.165 38.460 0.019 0.000 0.997 732 Y HN 0.023 nan 8.280 nan 0.000 0.522 733 D N -0.042 120.462 120.400 0.174 0.000 2.178 733 D HA -0.102 4.526 4.640 -0.020 0.000 0.202 733 D C 1.986 178.264 176.300 -0.038 0.000 0.974 733 D CA 1.220 55.260 54.000 0.067 0.000 0.841 733 D CB -0.128 40.725 40.800 0.089 0.000 0.953 733 D HN 0.305 nan 8.370 nan 0.000 0.478 734 R N -0.515 119.964 120.500 -0.035 0.000 2.280 734 R HA 0.286 4.614 4.340 -0.020 0.000 0.195 734 R C 0.248 176.528 176.300 -0.034 0.000 0.935 734 R CA 0.203 56.279 56.100 -0.038 0.000 1.033 734 R CB 0.584 30.858 30.300 -0.043 0.000 0.964 734 R HN 0.113 nan 8.270 nan 0.000 0.489 735 I N 0.991 121.522 120.570 -0.065 0.000 2.464 735 I HA 0.251 4.409 4.170 -0.020 0.000 0.277 735 I C -1.974 174.057 176.117 -0.142 0.000 1.040 735 I CA -2.371 58.899 61.300 -0.050 0.000 1.153 735 I CB 2.043 40.056 38.000 0.022 0.000 1.274 735 I HN -0.214 nan 8.210 nan 0.000 0.469 736 P HA -0.182 nan 4.420 nan 0.000 0.216 736 P C 1.197 178.417 177.300 -0.133 0.000 1.153 736 P CA 1.449 64.467 63.100 -0.136 0.000 0.858 736 P CB 0.314 31.965 31.700 -0.081 0.000 0.789 737 E N -1.187 118.978 120.200 -0.060 0.000 2.150 737 E HA -0.150 4.188 4.350 -0.020 0.000 0.193 737 E C 1.834 178.366 176.600 -0.112 0.000 0.985 737 E CA 0.572 56.958 56.400 -0.023 0.000 0.814 737 E CB -0.530 29.232 29.700 0.102 0.000 0.752 737 E HN 0.111 nan 8.360 nan 0.000 0.466 738 L N 1.114 122.192 121.223 -0.241 0.000 2.072 738 L HA -0.098 4.230 4.340 -0.020 0.000 0.205 738 L C 2.127 178.753 176.870 -0.407 0.000 1.079 738 L CA 1.572 56.098 54.840 -0.523 0.000 0.752 738 L CB -0.185 41.460 42.059 -0.689 0.000 0.906 738 L HN -0.095 nan 8.230 nan 0.000 0.436 739 R N -0.821 119.404 120.500 -0.459 0.000 2.091 739 R HA -0.224 4.104 4.340 -0.020 0.000 0.238 739 R C 2.294 178.459 176.300 -0.224 0.000 1.136 739 R CA 1.827 57.584 56.100 -0.572 0.000 0.959 739 R CB -0.384 29.495 30.300 -0.702 0.000 0.856 739 R HN 0.574 nan 8.270 nan 0.000 0.437 740 Q N 0.748 120.443 119.800 -0.174 0.000 2.061 740 Q HA -0.185 4.143 4.340 -0.020 0.000 0.204 740 Q C 2.085 178.057 176.000 -0.047 0.000 0.984 740 Q CA 1.570 57.313 55.803 -0.100 0.000 0.846 740 Q CB -0.053 28.628 28.738 -0.095 0.000 0.902 740 Q HN 0.367 nan 8.270 nan 0.000 0.421 741 I N 0.683 121.229 120.570 -0.039 0.000 2.179 741 I HA -0.288 3.870 4.170 -0.020 0.000 0.242 741 I C 2.173 178.349 176.117 0.099 0.000 1.088 741 I CA 0.728 62.053 61.300 0.041 0.000 1.357 741 I CB -0.342 37.650 38.000 -0.014 0.000 1.051 741 I HN 0.298 nan 8.210 nan 0.000 0.409 742 I N 0.761 121.384 120.570 0.089 0.000 2.361 742 I HA -0.245 3.913 4.170 -0.020 0.000 0.251 742 I C 2.341 178.577 176.117 0.199 0.000 1.133 742 I CA 1.664 63.079 61.300 0.191 0.000 1.413 742 I CB -1.254 36.942 38.000 0.328 0.000 1.073 742 I HN 0.348 nan 8.210 nan 0.000 0.424 743 E N 0.432 120.727 120.200 0.157 0.000 2.106 743 E HA -0.211 4.127 4.350 -0.020 0.000 0.192 743 E C 2.229 178.900 176.600 0.118 0.000 0.984 743 E CA 0.820 57.298 56.400 0.130 0.000 0.806 743 E CB -0.021 29.721 29.700 0.069 0.000 0.750 743 E HN 0.534 nan 8.360 nan 0.000 0.458 744 Q N 0.218 120.083 119.800 0.109 0.000 2.079 744 Q HA -0.118 4.210 4.340 -0.020 0.000 0.200 744 Q C 2.275 178.468 176.000 0.322 0.000 0.974 744 Q CA 0.927 56.812 55.803 0.135 0.000 0.840 744 Q CB 0.041 28.836 28.738 0.095 0.000 0.898 744 Q HN 0.295 nan 8.270 nan 0.000 0.430 745 L N -0.278 121.151 121.223 0.343 0.000 1.994 745 L HA -0.201 4.127 4.340 -0.020 0.000 0.208 745 L C 2.496 179.562 176.870 0.326 0.000 1.071 745 L CA 1.023 56.082 54.840 0.364 0.000 0.745 745 L CB -0.419 41.773 42.059 0.222 0.000 0.892 745 L HN 0.150 nan 8.230 nan 0.000 0.431 746 S N -0.297 115.548 115.700 0.242 0.000 2.368 746 S HA -0.164 4.294 4.470 -0.020 0.000 0.225 746 S C 2.081 176.786 174.600 0.175 0.000 1.030 746 S CA 1.590 59.909 58.200 0.198 0.000 0.999 746 S CB -0.206 63.091 63.200 0.162 0.000 0.844 746 S HN 0.612 nan 8.310 nan 0.000 0.459 747 S N 0.301 116.104 115.700 0.171 0.000 2.515 747 S HA 0.246 4.704 4.470 -0.020 0.000 0.231 747 S C 1.422 176.114 174.600 0.153 0.000 0.987 747 S CA 0.856 59.141 58.200 0.142 0.000 0.936 747 S CB -0.185 63.088 63.200 0.121 0.000 0.766 747 S HN 0.842 nan 8.310 nan 0.000 0.528 748 G N 0.538 109.461 108.800 0.204 0.000 2.130 748 G HA2 -0.273 3.675 3.960 -0.020 0.000 0.216 748 G HA3 -0.273 3.675 3.960 -0.020 0.000 0.216 748 G C 0.140 175.134 174.900 0.156 0.000 0.999 748 G CA 0.124 45.333 45.100 0.181 0.000 0.686 748 G HN 0.537 nan 8.290 nan 0.000 0.515 749 F N 0.245 120.199 119.950 0.006 0.000 2.293 749 F HA 0.301 4.816 4.527 -0.020 0.000 0.300 749 F C 1.684 177.298 175.800 -0.311 0.000 1.086 749 F CA 1.359 59.245 58.000 -0.191 0.000 1.375 749 F CB -0.009 38.795 39.000 -0.326 0.000 1.045 749 F HN 0.153 nan 8.300 nan 0.000 0.516 750 F N -0.226 119.776 119.950 0.088 0.000 2.641 750 F HA 0.233 4.748 4.527 -0.020 0.000 0.302 750 F C 0.596 176.476 175.800 0.133 0.000 1.098 750 F CA 0.222 58.234 58.000 0.021 0.000 1.318 750 F CB -0.088 38.958 39.000 0.076 0.000 1.035 750 F HN 0.012 nan 8.300 nan 0.000 0.551 751 S N -1.946 113.874 115.700 0.200 0.000 2.708 751 S HA 0.293 4.751 4.470 -0.020 0.000 0.141 751 S C -2.549 172.068 174.600 0.027 0.000 1.349 751 S CA -0.923 57.334 58.200 0.095 0.000 1.206 751 S CB 0.675 63.892 63.200 0.027 0.000 1.603 751 S HN -0.179 nan 8.310 nan 0.000 0.415 752 P HA -0.115 nan 4.420 nan 0.000 0.214 752 P C 1.211 178.506 177.300 -0.008 0.000 1.163 752 P CA 1.476 64.561 63.100 -0.024 0.000 0.889 752 P CB 0.054 31.717 31.700 -0.061 0.000 0.790 753 K N -0.651 119.741 120.400 -0.013 0.000 2.283 753 K HA -0.089 4.219 4.320 -0.020 0.000 0.202 753 K C 0.792 177.391 176.600 -0.003 0.000 1.048 753 K CA 0.907 57.190 56.287 -0.007 0.000 0.948 753 K CB -0.180 32.316 32.500 -0.006 0.000 0.742 753 K HN 0.441 nan 8.250 nan 0.000 0.458 754 Q N -0.658 119.138 119.800 -0.006 0.000 3.244 754 Q HA 0.216 4.544 4.340 -0.020 0.000 0.249 754 Q C -2.654 173.340 176.000 -0.010 0.000 0.951 754 Q CA -1.878 53.919 55.803 -0.011 0.000 0.740 754 Q CB 1.377 30.104 28.738 -0.020 0.000 1.334 754 Q HN -0.163 nan 8.270 nan 0.000 0.448 755 P HA -0.272 nan 4.420 nan 0.000 0.219 755 P C 0.764 178.098 177.300 0.058 0.000 1.158 755 P CA 1.898 65.026 63.100 0.046 0.000 0.895 755 P CB 0.103 31.831 31.700 0.046 0.000 0.792 756 D N -1.184 119.237 120.400 0.035 0.000 2.325 756 D HA -0.029 4.599 4.640 -0.020 0.000 0.225 756 D C 1.617 177.921 176.300 0.006 0.000 1.096 756 D CA -0.166 53.862 54.000 0.046 0.000 0.844 756 D CB -0.773 40.054 40.800 0.044 0.000 0.925 756 D HN 0.041 nan 8.370 nan 0.000 0.513 757 L N -0.119 121.050 121.223 -0.091 0.000 2.089 757 L HA -0.120 4.208 4.340 -0.020 0.000 0.213 757 L C 0.948 177.605 176.870 -0.354 0.000 1.079 757 L CA 1.650 56.327 54.840 -0.272 0.000 0.758 757 L CB -0.636 41.114 42.059 -0.516 0.000 0.891 757 L HN -0.055 nan 8.230 nan 0.000 0.433 758 F N -0.303 119.698 119.950 0.085 0.000 2.639 758 F HA 0.186 4.701 4.527 -0.020 0.000 0.300 758 F C 1.861 177.710 175.800 0.081 0.000 1.109 758 F CA -0.026 58.013 58.000 0.065 0.000 1.335 758 F CB -0.660 38.369 39.000 0.047 0.000 1.014 758 F HN 0.150 nan 8.300 nan 0.000 0.537 759 K N -0.506 120.013 120.400 0.198 0.000 2.152 759 K HA -0.193 4.115 4.320 -0.020 0.000 0.206 759 K C 0.791 177.492 176.600 0.169 0.000 1.048 759 K CA 2.040 58.428 56.287 0.168 0.000 0.933 759 K CB -0.255 32.317 32.500 0.120 0.000 0.721 759 K HN 0.067 nan 8.250 nan 0.000 0.447 760 D N 1.116 121.622 120.400 0.178 0.000 2.224 760 D HA -0.008 4.620 4.640 -0.020 0.000 0.205 760 D C 1.959 178.355 176.300 0.161 0.000 0.965 760 D CA 0.788 54.897 54.000 0.181 0.000 0.852 760 D CB -0.009 40.938 40.800 0.245 0.000 0.947 760 D HN 0.301 nan 8.370 nan 0.000 0.494 761 I N 0.073 120.740 120.570 0.162 0.000 2.233 761 I HA -0.184 3.974 4.170 -0.020 0.000 0.243 761 I C 2.264 178.446 176.117 0.108 0.000 1.093 761 I CA 0.502 61.869 61.300 0.113 0.000 1.380 761 I CB -0.109 37.951 38.000 0.100 0.000 1.067 761 I HN -0.110 nan 8.210 nan 0.000 0.413 762 V N 1.344 121.344 119.914 0.144 0.000 2.255 762 V HA -0.320 3.788 4.120 -0.020 0.000 0.247 762 V C 2.261 178.430 176.094 0.125 0.000 1.051 762 V CA 2.483 64.867 62.300 0.140 0.000 1.018 762 V CB -1.012 30.911 31.823 0.167 0.000 0.641 762 V HN 0.486 nan 8.190 nan 0.000 0.445 763 N N -0.076 118.722 118.700 0.164 0.000 2.104 763 N HA -0.239 4.489 4.740 -0.020 0.000 0.190 763 N C 1.863 177.521 175.510 0.248 0.000 1.024 763 N CA 2.061 55.248 53.050 0.230 0.000 0.853 763 N CB -0.305 38.311 38.487 0.215 0.000 1.008 763 N HN 0.371 nan 8.380 nan 0.000 0.424 764 M N 0.105 119.820 119.600 0.191 0.000 2.086 764 M HA -0.118 4.350 4.480 -0.020 0.000 0.261 764 M C 1.796 178.121 176.300 0.043 0.000 1.067 764 M CA 1.342 56.753 55.300 0.185 0.000 1.116 764 M CB -0.585 32.103 32.600 0.147 0.000 1.348 764 M HN 0.301 nan 8.290 nan 0.000 0.407 765 L N -0.044 121.141 121.223 -0.064 0.000 2.017 765 L HA -0.270 4.058 4.340 -0.020 0.000 0.208 765 L C 2.611 179.163 176.870 -0.530 0.000 1.073 765 L CA 1.105 55.747 54.840 -0.330 0.000 0.745 765 L CB -0.594 41.273 42.059 -0.319 0.000 0.894 765 L HN 0.321 nan 8.230 nan 0.000 0.432 766 M N -1.289 118.093 119.600 -0.363 0.000 2.254 766 M HA -0.126 4.342 4.480 -0.020 0.000 0.265 766 M C 1.398 177.125 176.300 -0.956 0.000 1.066 766 M CA 1.856 56.800 55.300 -0.592 0.000 1.123 766 M CB -0.927 31.367 32.600 -0.510 0.000 1.388 766 M HN 0.336 nan 8.290 nan 0.000 0.425 767 H N -3.164 115.768 119.070 -0.229 0.000 3.680 767 H HA 0.247 4.791 4.556 -0.020 0.000 0.260 767 H C 0.201 175.086 175.328 -0.739 0.000 1.183 767 H CA 0.022 55.795 56.048 -0.459 0.000 1.159 767 H CB 0.514 29.953 29.762 -0.539 0.000 1.567 767 H HN 0.312 nan 8.280 nan 0.000 0.648 768 H N -0.344 118.767 119.070 0.069 0.000 2.904 768 H HA 0.102 4.646 4.556 -0.020 0.000 0.242 768 H C -0.515 174.839 175.328 0.044 0.000 1.193 768 H CA -0.194 55.894 56.048 0.068 0.000 0.946 768 H CB 0.881 30.693 29.762 0.083 0.000 2.135 768 H HN 0.189 nan 8.280 nan 0.000 0.652 769 D N 1.585 122.038 120.400 0.088 0.000 2.359 769 D HA 0.061 4.689 4.640 -0.020 0.000 0.250 769 D C 1.153 177.425 176.300 -0.047 0.000 1.264 769 D CA -0.124 53.912 54.000 0.060 0.000 0.911 769 D CB 0.504 41.327 40.800 0.038 0.000 1.056 769 D HN 0.258 nan 8.370 nan 0.000 0.499 770 R N 2.348 122.714 120.500 -0.224 0.000 2.280 770 R HA -0.013 4.315 4.340 -0.020 0.000 0.207 770 R C 0.571 176.353 176.300 -0.865 0.000 1.043 770 R CA 0.670 56.419 56.100 -0.585 0.000 1.006 770 R CB 0.191 29.967 30.300 -0.872 0.000 0.885 770 R HN 0.384 nan 8.270 nan 0.000 0.467 771 F N 0.568 120.481 119.950 -0.061 0.000 2.668 771 F HA 0.259 4.774 4.527 -0.020 0.000 0.301 771 F C -0.019 175.652 175.800 -0.214 0.000 1.106 771 F CA -0.806 57.138 58.000 -0.094 0.000 1.289 771 F CB 0.126 39.129 39.000 0.005 0.000 1.006 771 F HN -0.265 nan 8.300 nan 0.000 0.535 772 K N -0.210 119.973 120.400 -0.361 0.000 3.540 772 K HA -0.191 4.117 4.320 -0.020 0.000 0.274 772 K C 1.008 177.478 176.600 -0.216 0.000 0.890 772 K CA 0.142 56.020 56.287 -0.681 0.000 0.701 772 K CB -1.626 30.325 32.500 -0.915 0.000 1.523 772 K HN 0.243 nan 8.250 nan 0.000 0.450 773 V N 0.151 120.040 119.914 -0.041 0.000 2.261 773 V HA -0.265 3.843 4.120 -0.020 0.000 0.246 773 V C 1.987 178.227 176.094 0.243 0.000 1.047 773 V CA 1.969 64.323 62.300 0.090 0.000 1.015 773 V CB -0.463 31.424 31.823 0.108 0.000 0.642 773 V HN 0.457 nan 8.190 nan 0.000 0.446 774 F N 0.990 120.960 119.950 0.032 0.000 2.154 774 F HA -0.197 4.318 4.527 -0.020 0.000 0.301 774 F C 2.440 178.109 175.800 -0.217 0.000 1.087 774 F CA 1.077 59.066 58.000 -0.019 0.000 1.274 774 F CB -1.456 37.549 39.000 0.008 0.000 1.009 774 F HN 0.176 nan 8.300 nan 0.000 0.485 775 A N -1.052 121.643 122.820 -0.209 0.000 2.121 775 A HA -0.124 4.184 4.320 -0.020 0.000 0.218 775 A C 1.521 179.101 177.584 -0.006 0.000 1.154 775 A CA 1.738 53.535 52.037 -0.400 0.000 0.679 775 A CB -0.434 18.389 19.000 -0.295 0.000 0.795 775 A HN 0.224 nan 8.150 nan 0.000 0.458 776 D N -3.125 117.335 120.400 0.101 0.000 2.469 776 D HA 0.112 4.740 4.640 -0.020 0.000 0.213 776 D C 1.055 177.531 176.300 0.295 0.000 1.135 776 D CA -0.163 53.963 54.000 0.211 0.000 0.834 776 D CB -0.069 40.850 40.800 0.199 0.000 1.009 776 D HN 0.467 nan 8.370 nan 0.000 0.507 777 Y N 2.114 122.509 120.300 0.159 0.000 2.070 777 Y HA -0.208 4.330 4.550 -0.020 0.000 0.280 777 Y C 2.013 178.010 175.900 0.162 0.000 1.148 777 Y CA 1.994 60.199 58.100 0.174 0.000 1.125 777 Y CB 0.025 38.553 38.460 0.113 0.000 0.975 777 Y HN -0.097 nan 8.280 nan 0.000 0.492 778 E N -0.367 119.857 120.200 0.039 0.000 2.038 778 E HA -0.235 4.103 4.350 -0.020 0.000 0.195 778 E C 2.124 178.675 176.600 -0.082 0.000 1.000 778 E CA 1.417 57.755 56.400 -0.102 0.000 0.803 778 E CB -0.099 29.660 29.700 0.099 0.000 0.750 778 E HN 0.473 nan 8.360 nan 0.000 0.448 779 E N 0.036 120.279 120.200 0.071 0.000 2.110 779 E HA -0.189 4.149 4.350 -0.020 0.000 0.193 779 E C 1.798 178.407 176.600 0.015 0.000 0.988 779 E CA 0.777 57.246 56.400 0.114 0.000 0.804 779 E CB -0.374 29.481 29.700 0.259 0.000 0.745 779 E HN 0.354 nan 8.360 nan 0.000 0.458 780 Y N 1.348 121.501 120.300 -0.245 0.000 2.114 780 Y HA -0.208 4.330 4.550 -0.020 0.000 0.284 780 Y C 2.266 177.778 175.900 -0.647 0.000 1.143 780 Y CA 1.091 58.733 58.100 -0.764 0.000 1.135 780 Y CB -0.526 37.576 38.460 -0.596 0.000 0.980 780 Y HN -0.189 nan 8.280 nan 0.000 0.499 781 V N 0.521 120.082 119.914 -0.589 0.000 2.287 781 V HA -0.337 3.771 4.120 -0.020 0.000 0.248 781 V C 2.301 178.143 176.094 -0.420 0.000 1.053 781 V CA 2.447 64.391 62.300 -0.593 0.000 1.027 781 V CB -0.654 30.861 31.823 -0.512 0.000 0.646 781 V HN 0.270 nan 8.190 nan 0.000 0.447 782 K N -0.728 119.502 120.400 -0.285 0.000 2.057 782 K HA -0.187 4.120 4.320 -0.020 0.000 0.207 782 K C 2.264 178.765 176.600 -0.165 0.000 1.049 782 K CA 1.715 57.903 56.287 -0.165 0.000 0.931 782 K CB -0.716 31.736 32.500 -0.079 0.000 0.714 782 K HN 0.556 nan 8.250 nan 0.000 0.440 783 C N 1.100 120.274 119.300 -0.209 0.000 2.422 783 C HA -0.077 4.371 4.460 -0.020 0.000 0.279 783 C C 2.432 177.243 174.990 -0.299 0.000 1.305 783 C CA 0.720 59.648 59.018 -0.150 0.000 1.757 783 C CB -0.628 27.033 27.740 -0.131 0.000 1.962 783 C HN 0.423 nan 8.230 nan 0.000 0.499 784 Q N 0.413 119.897 119.800 -0.526 0.000 2.230 784 Q HA -0.110 4.218 4.340 -0.020 0.000 0.202 784 Q C 2.038 177.849 176.000 -0.315 0.000 0.963 784 Q CA 1.357 56.812 55.803 -0.579 0.000 0.866 784 Q CB -0.316 27.826 28.738 -0.993 0.000 0.931 784 Q HN 0.759 nan 8.270 nan 0.000 0.452 785 E N 0.368 120.436 120.200 -0.220 0.000 2.077 785 E HA -0.146 4.192 4.350 -0.020 0.000 0.193 785 E C 1.983 178.547 176.600 -0.061 0.000 0.989 785 E CA 0.730 57.065 56.400 -0.109 0.000 0.800 785 E CB 0.016 29.669 29.700 -0.079 0.000 0.746 785 E HN 0.238 nan 8.360 nan 0.000 0.452 786 R N 0.212 120.687 120.500 -0.041 0.000 2.189 786 R HA -0.047 4.281 4.340 -0.020 0.000 0.218 786 R C 2.252 178.586 176.300 0.057 0.000 1.074 786 R CA 0.497 56.645 56.100 0.079 0.000 0.991 786 R CB -0.028 30.390 30.300 0.196 0.000 0.883 786 R HN 0.042 nan 8.270 nan 0.000 0.457 787 V N 0.344 120.107 119.914 -0.251 0.000 2.323 787 V HA -0.186 3.922 4.120 -0.020 0.000 0.244 787 V C 1.937 178.030 176.094 -0.001 0.000 1.041 787 V CA 1.974 64.003 62.300 -0.452 0.000 1.025 787 V CB -0.092 31.341 31.823 -0.650 0.000 0.656 787 V HN 0.287 nan 8.190 nan 0.000 0.451 788 S N 0.644 116.311 115.700 -0.055 0.000 2.428 788 S HA -0.056 4.402 4.470 -0.020 0.000 0.230 788 S C 2.145 176.805 174.600 0.100 0.000 1.014 788 S CA 1.085 59.284 58.200 -0.002 0.000 0.957 788 S CB -0.356 62.806 63.200 -0.063 0.000 0.784 788 S HN 0.610 nan 8.310 nan 0.000 0.499 789 A N 1.629 124.511 122.820 0.103 0.000 1.898 789 A HA 0.032 4.340 4.320 -0.020 0.000 0.216 789 A C 2.108 179.803 177.584 0.186 0.000 1.181 789 A CA 1.172 53.286 52.037 0.129 0.000 0.620 789 A CB -0.617 18.450 19.000 0.111 0.000 0.819 789 A HN 0.417 nan 8.150 nan 0.000 0.442 790 L N -2.045 119.347 121.223 0.281 0.000 2.109 790 L HA -0.042 4.286 4.340 -0.020 0.000 0.207 790 L C 2.231 179.372 176.870 0.452 0.000 1.086 790 L CA 1.834 56.908 54.840 0.390 0.000 0.760 790 L CB -0.771 41.616 42.059 0.546 0.000 0.910 790 L HN 0.480 nan 8.230 nan 0.000 0.437 791 Y N 0.512 120.966 120.300 0.256 0.000 2.274 791 Y HA -0.232 4.306 4.550 -0.018 0.000 0.290 791 Y C 2.274 178.116 175.900 -0.097 0.000 1.145 791 Y CA 1.651 59.637 58.100 -0.191 0.000 1.203 791 Y CB -0.096 37.998 38.460 -0.610 0.000 0.984 791 Y HN 0.175 nan 8.280 nan 0.000 0.533 792 K N 0.061 120.515 120.400 0.089 0.000 2.360 792 K HA -0.204 4.104 4.320 -0.020 0.000 0.201 792 K C 0.268 176.858 176.600 -0.017 0.000 1.046 792 K CA 1.152 57.474 56.287 0.059 0.000 0.945 792 K CB -0.419 32.146 32.500 0.109 0.000 0.750 792 K HN 0.336 nan 8.250 nan 0.000 0.464 793 N N 0.718 119.418 118.700 -0.001 0.000 2.936 793 N HA 0.100 4.828 4.740 -0.020 0.000 0.243 793 N C -2.294 173.205 175.510 -0.019 0.000 1.149 793 N CA -1.869 51.181 53.050 0.001 0.000 0.914 793 N CB 1.207 39.726 38.487 0.054 0.000 1.179 793 N HN -0.232 nan 8.380 nan 0.000 0.502 794 P HA -0.275 nan 4.420 nan 0.000 0.217 794 P C 1.250 178.547 177.300 -0.004 0.000 1.162 794 P CA 1.165 64.180 63.100 -0.143 0.000 0.901 794 P CB 0.191 31.785 31.700 -0.177 0.000 0.793 795 R N -0.196 120.301 120.500 -0.004 0.000 2.103 795 R HA -0.192 4.136 4.340 -0.020 0.000 0.242 795 R C 1.961 178.287 176.300 0.043 0.000 1.142 795 R CA 1.582 57.691 56.100 0.015 0.000 0.960 795 R CB -0.394 29.910 30.300 0.007 0.000 0.858 795 R HN 0.124 nan 8.270 nan 0.000 0.439 796 E N -0.309 119.928 120.200 0.061 0.000 2.158 796 E HA -0.196 4.142 4.350 -0.020 0.000 0.191 796 E C 1.541 178.199 176.600 0.096 0.000 0.982 796 E CA 0.592 57.032 56.400 0.067 0.000 0.823 796 E CB -0.454 29.288 29.700 0.070 0.000 0.766 796 E HN 0.507 nan 8.360 nan 0.000 0.468 797 W N 2.146 123.421 121.300 -0.041 0.000 2.355 797 W HA -0.171 4.476 4.660 -0.021 0.000 0.309 797 W C 1.555 178.055 176.519 -0.031 0.000 1.206 797 W CA 2.123 59.453 57.345 -0.026 0.000 1.284 797 W CB -0.423 28.967 29.460 -0.116 0.000 1.145 797 W HN 0.033 nan 8.180 nan 0.000 0.502 798 T N 1.253 115.912 114.554 0.176 0.000 2.788 798 T HA -0.189 4.149 4.350 -0.020 0.000 0.268 798 T C 1.861 176.546 174.700 -0.025 0.000 1.044 798 T CA 1.744 63.882 62.100 0.064 0.000 1.139 798 T CB -0.346 68.542 68.868 0.032 0.000 0.867 798 T HN 0.182 nan 8.240 nan 0.000 0.454 799 R N 0.317 120.811 120.500 -0.010 0.000 2.115 799 R HA 0.140 4.468 4.340 -0.020 0.000 0.230 799 R C 2.484 178.760 176.300 -0.039 0.000 1.111 799 R CA 1.046 57.142 56.100 -0.006 0.000 0.976 799 R CB -0.309 29.998 30.300 0.012 0.000 0.870 799 R HN 0.374 nan 8.270 nan 0.000 0.445 800 M N 0.447 119.989 119.600 -0.096 0.000 2.254 800 M HA -0.100 4.368 4.480 -0.020 0.000 0.265 800 M C 1.841 178.038 176.300 -0.172 0.000 1.066 800 M CA 1.175 56.388 55.300 -0.146 0.000 1.123 800 M CB 0.277 32.742 32.600 -0.226 0.000 1.388 800 M HN -0.037 nan 8.290 nan 0.000 0.425 801 V N 0.886 120.674 119.914 -0.210 0.000 2.295 801 V HA -0.303 3.805 4.120 -0.020 0.000 0.246 801 V C 2.219 178.275 176.094 -0.063 0.000 1.049 801 V CA 1.949 64.150 62.300 -0.164 0.000 1.024 801 V CB -0.544 31.203 31.823 -0.126 0.000 0.648 801 V HN 0.493 nan 8.190 nan 0.000 0.447 802 I N -0.285 120.264 120.570 -0.035 0.000 2.151 802 I HA -0.323 3.835 4.170 -0.020 0.000 0.243 802 I C 2.640 178.795 176.117 0.064 0.000 1.080 802 I CA 1.789 63.115 61.300 0.043 0.000 1.339 802 I CB -0.411 37.651 38.000 0.104 0.000 1.039 802 I HN 0.247 nan 8.210 nan 0.000 0.409 803 R N 0.341 120.860 120.500 0.033 0.000 2.241 803 R HA -0.103 4.225 4.340 -0.020 0.000 0.224 803 R C 1.857 178.187 176.300 0.050 0.000 1.101 803 R CA 0.817 56.940 56.100 0.039 0.000 0.995 803 R CB -0.424 29.885 30.300 0.015 0.000 0.870 803 R HN 0.552 nan 8.270 nan 0.000 0.463 804 N N 0.752 119.474 118.700 0.037 0.000 2.240 804 N HA 0.003 4.731 4.740 -0.020 0.000 0.187 804 N C 1.937 177.501 175.510 0.090 0.000 1.042 804 N CA 0.839 53.932 53.050 0.071 0.000 0.861 804 N CB 0.021 38.518 38.487 0.017 0.000 1.026 804 N HN 0.054 nan 8.380 nan 0.000 0.441 805 I N 1.889 122.498 120.570 0.065 0.000 2.236 805 I HA -0.267 3.891 4.170 -0.020 0.000 0.249 805 I C 2.274 178.435 176.117 0.074 0.000 1.102 805 I CA 1.100 62.443 61.300 0.071 0.000 1.365 805 I CB -0.296 37.737 38.000 0.054 0.000 1.051 805 I HN 0.111 nan 8.210 nan 0.000 0.420 806 A N 0.108 122.974 122.820 0.075 0.000 2.172 806 A HA -0.111 4.197 4.320 -0.020 0.000 0.216 806 A C 1.979 179.600 177.584 0.061 0.000 1.154 806 A CA 1.811 53.885 52.037 0.062 0.000 0.701 806 A CB -0.749 18.295 19.000 0.074 0.000 0.789 806 A HN 0.543 nan 8.150 nan 0.000 0.465 807 T N -3.299 111.308 114.554 0.088 0.000 3.084 807 T HA 0.137 4.475 4.350 -0.020 0.000 0.270 807 T C 1.296 176.091 174.700 0.157 0.000 1.008 807 T CA 0.610 62.767 62.100 0.095 0.000 0.900 807 T CB -0.187 68.740 68.868 0.097 0.000 1.084 807 T HN 0.476 nan 8.240 nan 0.000 0.538 808 S N 0.813 116.625 115.700 0.187 0.000 2.561 808 S HA 0.174 4.632 4.470 -0.020 0.000 0.225 808 S C 2.274 177.010 174.600 0.227 0.000 0.977 808 S CA 0.453 58.842 58.200 0.314 0.000 0.926 808 S CB -0.877 62.468 63.200 0.241 0.000 0.769 808 S HN 0.538 nan 8.310 nan 0.000 0.533 809 G N 2.745 111.596 108.800 0.085 0.000 2.507 809 G HA2 -0.319 3.629 3.960 -0.020 0.000 0.221 809 G HA3 -0.319 3.629 3.960 -0.020 0.000 0.221 809 G C 1.333 176.182 174.900 -0.086 0.000 1.119 809 G CA 1.127 46.239 45.100 0.020 0.000 0.751 809 G HN 0.711 nan 8.290 nan 0.000 0.574 810 K N -0.277 119.946 120.400 -0.295 0.000 2.439 810 K HA 0.088 4.396 4.320 -0.020 0.000 0.197 810 K C 0.894 177.149 176.600 -0.575 0.000 1.041 810 K CA 0.439 56.427 56.287 -0.499 0.000 0.970 810 K CB -0.228 31.840 32.500 -0.720 0.000 0.773 810 K HN 0.285 nan 8.250 nan 0.000 0.479 811 F N 1.323 121.302 119.950 0.048 0.000 2.660 811 F HA 0.205 4.720 4.527 -0.021 0.000 0.297 811 F C 0.565 176.410 175.800 0.075 0.000 1.132 811 F CA -0.565 57.469 58.000 0.058 0.000 1.372 811 F CB 0.131 39.160 39.000 0.049 0.000 1.003 811 F HN -0.053 nan 8.300 nan 0.000 0.524 812 S N -0.082 115.702 115.700 0.141 0.000 2.537 812 S HA 0.173 4.631 4.470 -0.020 0.000 0.275 812 S C 1.373 176.060 174.600 0.145 0.000 1.272 812 S CA -0.181 58.104 58.200 0.141 0.000 1.050 812 S CB 1.108 64.363 63.200 0.092 0.000 0.961 812 S HN 0.277 nan 8.310 nan 0.000 0.496 813 S N 3.063 118.877 115.700 0.191 0.000 2.469 813 S HA -0.113 4.345 4.470 -0.020 0.000 0.238 813 S C 0.931 175.602 174.600 0.118 0.000 0.998 813 S CA 0.958 59.299 58.200 0.235 0.000 0.957 813 S CB -0.490 62.917 63.200 0.345 0.000 0.764 813 S HN 0.811 nan 8.310 nan 0.000 0.514 814 D N 1.626 122.074 120.400 0.081 0.000 2.144 814 D HA -0.069 4.559 4.640 -0.020 0.000 0.199 814 D C 2.079 178.389 176.300 0.017 0.000 0.984 814 D CA 0.755 54.777 54.000 0.038 0.000 0.834 814 D CB -0.286 40.532 40.800 0.031 0.000 0.955 814 D HN 0.317 nan 8.370 nan 0.000 0.465 815 R N 0.675 121.188 120.500 0.021 0.000 2.062 815 R HA -0.064 4.264 4.340 -0.020 0.000 0.229 815 R C 1.852 178.147 176.300 -0.007 0.000 1.128 815 R CA 1.273 57.369 56.100 -0.007 0.000 0.960 815 R CB -0.617 29.664 30.300 -0.031 0.000 0.855 815 R HN 0.101 nan 8.270 nan 0.000 0.432 816 T N 2.334 116.912 114.554 0.040 0.000 2.684 816 T HA -0.129 4.209 4.350 -0.020 0.000 0.267 816 T C 1.944 176.661 174.700 0.028 0.000 1.036 816 T CA 1.367 63.513 62.100 0.075 0.000 1.148 816 T CB -0.141 68.873 68.868 0.243 0.000 0.863 816 T HN 0.092 nan 8.240 nan 0.000 0.436 817 I N 1.843 122.359 120.570 -0.089 0.000 2.226 817 I HA -0.120 4.038 4.170 -0.020 0.000 0.245 817 I C 2.940 179.008 176.117 -0.083 0.000 1.100 817 I CA 1.078 62.272 61.300 -0.178 0.000 1.374 817 I CB -1.676 36.223 38.000 -0.168 0.000 1.057 817 I HN 0.208 nan 8.210 nan 0.000 0.413 818 A N 0.068 122.861 122.820 -0.044 0.000 2.024 818 A HA -0.229 4.079 4.320 -0.020 0.000 0.220 818 A C 2.228 179.768 177.584 -0.073 0.000 1.164 818 A CA 1.418 53.436 52.037 -0.033 0.000 0.643 818 A CB -0.497 18.491 19.000 -0.019 0.000 0.806 818 A HN 0.562 nan 8.150 nan 0.000 0.451 819 Q N -2.030 117.705 119.800 -0.108 0.000 2.096 819 Q HA -0.116 4.212 4.340 -0.020 0.000 0.197 819 Q C 1.906 177.739 176.000 -0.279 0.000 0.964 819 Q CA 1.358 57.059 55.803 -0.170 0.000 0.838 819 Q CB -0.285 28.339 28.738 -0.189 0.000 0.906 819 Q HN 0.796 nan 8.270 nan 0.000 0.444 820 Y N 1.031 121.038 120.300 -0.489 0.000 2.128 820 Y HA -0.291 4.247 4.550 -0.020 0.000 0.284 820 Y C 2.503 177.794 175.900 -1.015 0.000 1.154 820 Y CA 1.394 58.950 58.100 -0.907 0.000 1.149 820 Y CB -0.473 37.154 38.460 -1.389 0.000 0.976 820 Y HN 0.156 nan 8.280 nan 0.000 0.505 821 A N 0.421 122.968 122.820 -0.455 0.000 1.851 821 A HA -0.234 4.074 4.320 -0.020 0.000 0.216 821 A C 2.267 179.857 177.584 0.010 0.000 1.195 821 A CA 2.136 54.175 52.037 0.004 0.000 0.622 821 A CB -0.627 18.467 19.000 0.157 0.000 0.831 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -0.489 119.986 120.500 -0.042 0.000 2.115 822 R HA -0.052 4.276 4.340 -0.020 0.000 0.226 822 R C 1.652 177.928 176.300 -0.039 0.000 1.100 822 R CA 1.450 57.537 56.100 -0.021 0.000 0.980 822 R CB -0.207 30.078 30.300 -0.026 0.000 0.875 822 R HN 0.682 nan 8.270 nan 0.000 0.445 823 E N -0.440 119.697 120.200 -0.104 0.000 2.452 823 E HA 0.123 4.461 4.350 -0.020 0.000 0.197 823 E C 1.392 177.947 176.600 -0.074 0.000 1.022 823 E CA 0.314 56.659 56.400 -0.092 0.000 0.890 823 E CB 0.555 30.175 29.700 -0.134 0.000 0.918 823 E HN 0.301 nan 8.360 nan 0.000 0.496 824 I N -1.118 119.379 120.570 -0.121 0.000 3.650 824 I HA 0.017 4.175 4.170 -0.020 0.000 0.261 824 I C 1.425 177.690 176.117 0.247 0.000 1.154 824 I CA -0.130 61.164 61.300 -0.009 0.000 1.418 824 I CB 0.075 37.937 38.000 -0.231 0.000 1.539 824 I HN 0.102 nan 8.210 nan 0.000 0.449 825 W N 1.792 123.186 121.300 0.157 0.000 2.402 825 W HA 0.169 4.817 4.660 -0.020 0.000 0.286 825 W C 1.587 178.141 176.519 0.059 0.000 1.221 825 W CA 1.249 58.662 57.345 0.113 0.000 1.257 825 W CB -1.255 28.255 29.460 0.082 0.000 1.120 825 W HN 0.390 nan 8.180 nan 0.000 0.551 826 G N 0.481 109.425 108.800 0.239 0.000 2.248 826 G HA2 -0.094 3.854 3.960 -0.020 0.000 0.263 826 G HA3 -0.094 3.854 3.960 -0.020 0.000 0.263 826 G C -0.641 174.332 174.900 0.121 0.000 1.082 826 G CA 0.141 45.320 45.100 0.132 0.000 0.863 826 G HN 0.309 nan 8.290 nan 0.000 0.495 827 V N -1.321 118.685 119.914 0.153 0.000 2.962 827 V HA 0.828 4.936 4.120 -0.020 0.000 0.313 827 V C -0.925 175.229 176.094 0.101 0.000 1.099 827 V CA -1.110 61.261 62.300 0.118 0.000 0.971 827 V CB 2.082 33.985 31.823 0.132 0.000 1.028 827 V HN 0.212 nan 8.190 nan 0.000 0.430 828 E N 4.967 125.210 120.200 0.071 0.000 2.134 828 E HA 0.478 4.816 4.350 -0.020 0.000 0.278 828 E C -2.471 174.166 176.600 0.061 0.000 0.959 828 E CA -1.753 54.682 56.400 0.058 0.000 0.783 828 E CB 1.604 31.330 29.700 0.043 0.000 1.095 828 E HN 0.613 nan 8.360 nan 0.000 0.399 829 P HA 0.124 nan 4.420 nan 0.000 0.271 829 P C -0.643 176.685 177.300 0.048 0.000 1.233 829 P CA -0.256 62.877 63.100 0.056 0.000 0.789 829 P CB 0.678 32.405 31.700 0.045 0.000 0.951 830 S N 0.086 115.815 115.700 0.048 0.000 2.542 830 S HA 0.341 4.799 4.470 -0.020 0.000 0.276 830 S C -0.257 174.367 174.600 0.040 0.000 1.148 830 S CA -0.735 57.491 58.200 0.044 0.000 0.886 830 S CB 0.890 64.121 63.200 0.053 0.000 1.109 830 S HN 0.279 nan 8.310 nan 0.000 0.458 831 R N 1.696 122.215 120.500 0.032 0.000 2.546 831 R HA 0.188 4.516 4.340 -0.020 0.000 0.320 831 R C -0.113 176.197 176.300 0.017 0.000 1.021 831 R CA -0.244 55.873 56.100 0.028 0.000 1.088 831 R CB 0.432 30.750 30.300 0.030 0.000 1.278 831 R HN 0.650 nan 8.270 nan 0.000 0.557 832 Q N 1.859 121.669 119.800 0.016 0.000 2.297 832 Q HA 0.067 4.395 4.340 -0.020 0.000 0.267 832 Q C -0.414 175.578 176.000 -0.014 0.000 1.006 832 Q CA 0.376 56.182 55.803 0.005 0.000 0.896 832 Q CB 0.488 29.234 28.738 0.013 0.000 1.186 832 Q HN 0.016 nan 8.270 nan 0.000 0.392 833 R N 2.835 123.320 120.500 -0.025 0.000 2.679 833 R HA 0.354 4.682 4.340 -0.020 0.000 0.269 833 R C -0.189 176.071 176.300 -0.066 0.000 1.076 833 R CA -0.452 55.620 56.100 -0.045 0.000 1.160 833 R CB 0.512 30.785 30.300 -0.045 0.000 1.054 833 R HN 0.585 nan 8.270 nan 0.000 0.507 834 L N 2.069 123.238 121.223 -0.089 0.000 2.387 834 L HA 0.438 4.766 4.340 -0.020 0.000 0.266 834 L C -1.893 174.932 176.870 -0.075 0.000 1.059 834 L CA -2.244 52.523 54.840 -0.121 0.000 0.801 834 L CB 1.349 43.307 42.059 -0.168 0.000 1.223 834 L HN 0.376 nan 8.230 nan 0.000 0.456 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.080 63.100 -0.034 0.000 0.800 835 P CB 0.000 31.687 31.700 -0.021 0.000 0.726