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 3bda_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.263 120.296 120.570 -0.019 0.000 2.493 13 I HA 0.579 4.743 4.170 -0.010 0.000 0.298 13 I C 0.978 177.095 176.117 0.000 0.000 0.998 13 I CA -0.260 61.036 61.300 -0.006 0.000 1.137 13 I CB 1.959 39.960 38.000 0.001 0.000 1.310 13 I HN 0.305 nan 8.210 nan 0.000 0.445 14 S N 3.913 119.617 115.700 0.008 0.000 2.369 14 S HA -0.208 4.255 4.470 -0.010 0.000 0.225 14 S C 1.782 176.392 174.600 0.016 0.000 1.043 14 S CA 2.557 60.765 58.200 0.013 0.000 1.074 14 S CB -0.646 62.567 63.200 0.022 0.000 0.962 14 S HN 0.852 nan 8.310 nan 0.000 0.433 15 V N -0.004 119.927 119.914 0.029 0.000 3.140 15 V HA 0.052 4.166 4.120 -0.010 0.000 0.269 15 V C 1.849 177.957 176.094 0.024 0.000 1.149 15 V CA 1.647 63.968 62.300 0.034 0.000 1.162 15 V CB -1.138 30.713 31.823 0.048 0.000 0.756 15 V HN 0.399 nan 8.190 nan 0.000 0.523 16 R N 1.105 121.610 120.500 0.009 0.000 2.356 16 R HA 0.445 4.779 4.340 -0.010 0.000 0.234 16 R C 1.133 177.424 176.300 -0.016 0.000 0.929 16 R CA 0.512 56.610 56.100 -0.003 0.000 1.084 16 R CB 0.088 30.382 30.300 -0.009 0.000 1.105 16 R HN 0.767 nan 8.270 nan 0.000 0.515 17 G N 0.748 109.538 108.800 -0.016 0.000 2.796 17 G HA2 -0.228 3.726 3.960 -0.010 0.000 0.571 17 G HA3 -0.228 3.726 3.960 -0.010 0.000 0.571 17 G C -0.767 174.117 174.900 -0.027 0.000 1.370 17 G CA -1.048 44.035 45.100 -0.030 0.000 0.856 17 G HN -0.007 nan 8.290 nan 0.000 0.538 18 L N 0.152 121.357 121.223 -0.030 0.000 2.399 18 L HA 0.688 5.022 4.340 -0.010 0.000 0.266 18 L C 1.203 178.059 176.870 -0.025 0.000 1.114 18 L CA 0.288 55.114 54.840 -0.024 0.000 0.804 18 L CB 1.042 43.088 42.059 -0.021 0.000 1.146 18 L HN 1.563 nan 8.230 nan 0.000 0.451 19 A N 1.817 124.626 122.820 -0.018 0.000 3.158 19 A HA 0.574 4.888 4.320 -0.010 0.000 0.319 19 A C 0.718 178.297 177.584 -0.007 0.000 1.204 19 A CA -0.334 51.694 52.037 -0.015 0.000 0.992 19 A CB -0.367 18.625 19.000 -0.014 0.000 1.110 19 A HN 0.806 nan 8.150 nan 0.000 0.519 20 G N -0.337 108.459 108.800 -0.007 0.000 2.559 20 G HA2 0.321 4.275 3.960 -0.010 0.000 0.235 20 G HA3 0.321 4.275 3.960 -0.010 0.000 0.235 20 G C 1.034 175.938 174.900 0.006 0.000 1.266 20 G CA 0.084 45.183 45.100 -0.001 0.000 0.847 20 G HN 0.446 nan 8.290 nan 0.000 0.583 21 V N 1.522 121.440 119.914 0.008 0.000 2.295 21 V HA -0.168 3.946 4.120 -0.010 0.000 0.246 21 V C 2.713 178.816 176.094 0.016 0.000 1.049 21 V CA 2.415 64.721 62.300 0.011 0.000 1.024 21 V CB -0.700 31.129 31.823 0.010 0.000 0.648 21 V HN 0.756 nan 8.190 nan 0.000 0.447 22 E N 0.544 120.754 120.200 0.017 0.000 2.051 22 E HA -0.177 4.166 4.350 -0.010 0.000 0.192 22 E C 2.082 178.702 176.600 0.034 0.000 0.991 22 E CA 1.608 58.023 56.400 0.024 0.000 0.799 22 E CB -0.357 29.357 29.700 0.023 0.000 0.748 22 E HN 0.620 nan 8.360 nan 0.000 0.449 23 N N -0.772 117.946 118.700 0.031 0.000 2.120 23 N HA -0.129 4.605 4.740 -0.010 0.000 0.188 23 N C 1.623 177.157 175.510 0.041 0.000 1.024 23 N CA 1.105 54.179 53.050 0.040 0.000 0.852 23 N CB -0.122 38.373 38.487 0.014 0.000 1.003 23 N HN -0.018 nan 8.380 nan 0.000 0.424 24 V N 0.191 120.120 119.914 0.026 0.000 2.407 24 V HA -0.216 3.897 4.120 -0.010 0.000 0.248 24 V C 2.018 178.132 176.094 0.033 0.000 1.055 24 V CA 1.807 64.122 62.300 0.024 0.000 1.049 24 V CB -0.888 30.945 31.823 0.016 0.000 0.662 24 V HN 0.400 nan 8.190 nan 0.000 0.455 25 T N -0.552 114.022 114.554 0.034 0.000 2.746 25 T HA -0.209 4.134 4.350 -0.010 0.000 0.267 25 T C 1.935 176.668 174.700 0.055 0.000 1.039 25 T CA 1.764 63.885 62.100 0.036 0.000 1.142 25 T CB -0.185 68.700 68.868 0.029 0.000 0.866 25 T HN 0.469 nan 8.240 nan 0.000 0.444 26 E N 1.056 121.297 120.200 0.068 0.000 2.077 26 E HA -0.023 4.321 4.350 -0.010 0.000 0.193 26 E C 2.049 178.728 176.600 0.132 0.000 0.989 26 E CA 0.945 57.401 56.400 0.092 0.000 0.800 26 E CB -0.540 29.223 29.700 0.104 0.000 0.746 26 E HN 0.440 nan 8.360 nan 0.000 0.452 27 L N 0.130 121.438 121.223 0.141 0.000 2.046 27 L HA -0.195 4.139 4.340 -0.010 0.000 0.208 27 L C 2.462 179.440 176.870 0.181 0.000 1.077 27 L CA 1.541 56.489 54.840 0.180 0.000 0.747 27 L CB -0.360 41.773 42.059 0.122 0.000 0.896 27 L HN 0.083 nan 8.230 nan 0.000 0.432 28 K N 0.495 120.960 120.400 0.109 0.000 2.057 28 K HA -0.194 4.120 4.320 -0.010 0.000 0.207 28 K C 2.124 178.821 176.600 0.162 0.000 1.049 28 K CA 1.683 58.026 56.287 0.094 0.000 0.931 28 K CB -0.079 32.435 32.500 0.023 0.000 0.714 28 K HN 0.402 nan 8.250 nan 0.000 0.440 29 K N 0.235 120.711 120.400 0.126 0.000 2.155 29 K HA -0.039 4.275 4.320 -0.010 0.000 0.203 29 K C 1.588 178.271 176.600 0.139 0.000 1.052 29 K CA 1.220 57.576 56.287 0.115 0.000 0.948 29 K CB -0.122 32.422 32.500 0.073 0.000 0.728 29 K HN 0.006 nan 8.250 nan 0.000 0.448 30 N N 0.557 119.354 118.700 0.162 0.000 2.270 30 N HA -0.093 4.641 4.740 -0.010 0.000 0.181 30 N C 1.558 177.216 175.510 0.247 0.000 1.016 30 N CA 0.841 53.981 53.050 0.151 0.000 0.870 30 N CB -0.219 38.371 38.487 0.171 0.000 0.979 30 N HN 0.207 nan 8.380 nan 0.000 0.431 31 F N 2.475 122.522 119.950 0.161 0.000 2.102 31 F HA -0.074 4.447 4.527 -0.010 0.000 0.298 31 F C 1.993 177.894 175.800 0.168 0.000 1.105 31 F CA 1.235 59.346 58.000 0.185 0.000 1.239 31 F CB -0.139 38.940 39.000 0.131 0.000 0.991 31 F HN -0.034 nan 8.300 nan 0.000 0.474 32 N N 0.511 119.428 118.700 0.361 0.000 2.244 32 N HA -0.181 4.553 4.740 -0.010 0.000 0.183 32 N C 2.026 177.601 175.510 0.107 0.000 1.016 32 N CA 1.107 54.290 53.050 0.221 0.000 0.866 32 N CB -0.503 38.093 38.487 0.182 0.000 0.980 32 N HN 0.387 nan 8.380 nan 0.000 0.430 33 R N 0.311 120.875 120.500 0.106 0.000 2.073 33 R HA -0.094 4.239 4.340 -0.010 0.000 0.234 33 R C 1.784 178.146 176.300 0.103 0.000 1.134 33 R CA 1.449 57.631 56.100 0.137 0.000 0.952 33 R CB -0.211 30.120 30.300 0.052 0.000 0.850 33 R HN 0.360 nan 8.270 nan 0.000 0.433 34 H N -0.401 118.702 119.070 0.055 0.000 2.389 34 H HA -0.112 4.438 4.556 -0.011 0.000 0.299 34 H C 1.870 177.127 175.328 -0.118 0.000 1.081 34 H CA 1.414 57.432 56.048 -0.050 0.000 1.345 34 H CB 0.094 29.790 29.762 -0.111 0.000 1.393 34 H HN 0.130 nan 8.280 nan 0.000 0.520 35 L N -0.005 121.192 121.223 -0.043 0.000 2.083 35 L HA -0.186 4.148 4.340 -0.010 0.000 0.209 35 L C 2.164 179.007 176.870 -0.046 0.000 1.083 35 L CA 1.835 56.623 54.840 -0.086 0.000 0.752 35 L CB -0.450 41.568 42.059 -0.068 0.000 0.899 35 L HN 0.296 nan 8.230 nan 0.000 0.433 36 H N -1.591 117.388 119.070 -0.151 0.000 2.266 36 H HA -0.065 4.484 4.556 -0.011 0.000 0.308 36 H C 1.815 176.941 175.328 -0.335 0.000 1.057 36 H CA 2.331 58.198 56.048 -0.301 0.000 1.330 36 H CB -0.344 29.125 29.762 -0.490 0.000 1.400 36 H HN 0.275 nan 8.280 nan 0.000 0.503 37 F N -0.281 119.640 119.950 -0.049 0.000 2.206 37 F HA -0.047 4.474 4.527 -0.011 0.000 0.298 37 F C 2.654 178.373 175.800 -0.134 0.000 1.090 37 F CA 1.457 59.384 58.000 -0.121 0.000 1.323 37 F CB -0.561 38.409 39.000 -0.051 0.000 1.028 37 F HN 0.191 nan 8.300 nan 0.000 0.492 38 T N -0.034 114.554 114.554 0.055 0.000 2.852 38 T HA 0.045 4.389 4.350 -0.010 0.000 0.256 38 T C 1.998 176.609 174.700 -0.149 0.000 1.038 38 T CA 0.901 62.962 62.100 -0.066 0.000 1.141 38 T CB -0.321 68.482 68.868 -0.108 0.000 0.869 38 T HN 0.113 nan 8.240 nan 0.000 0.439 39 L N 1.079 122.215 121.223 -0.145 0.000 2.529 39 L HA 0.202 4.536 4.340 -0.010 0.000 0.223 39 L C 0.333 177.111 176.870 -0.154 0.000 1.113 39 L CA -0.085 54.659 54.840 -0.160 0.000 0.861 39 L CB -0.007 41.965 42.059 -0.144 0.000 1.012 39 L HN -0.023 nan 8.230 nan 0.000 0.461 40 V N 0.840 120.647 119.914 -0.178 0.000 6.125 40 V HA -0.293 3.820 4.120 -0.010 0.000 0.281 40 V C -0.028 175.958 176.094 -0.179 0.000 0.591 40 V CA 1.147 63.315 62.300 -0.220 0.000 0.617 40 V CB -2.227 29.493 31.823 -0.170 0.000 0.336 40 V HN 0.490 nan 8.190 nan 0.000 0.650 41 K N 0.470 120.773 120.400 -0.162 0.000 2.499 41 K HA 0.719 5.032 4.320 -0.010 0.000 0.277 41 K C -0.792 175.782 176.600 -0.043 0.000 1.025 41 K CA -0.484 55.742 56.287 -0.102 0.000 0.900 41 K CB 2.694 35.130 32.500 -0.107 0.000 1.494 41 K HN 0.477 nan 8.250 nan 0.000 0.442 42 D N -1.056 119.338 120.400 -0.010 0.000 2.477 42 D HA 0.315 4.949 4.640 -0.010 0.000 0.234 42 D C 0.543 176.881 176.300 0.064 0.000 1.048 42 D CA -0.780 53.246 54.000 0.044 0.000 0.959 42 D CB 1.013 41.836 40.800 0.039 0.000 1.408 42 D HN 0.125 nan 8.370 nan 0.000 0.496 43 R N 0.371 120.943 120.500 0.120 0.000 2.303 43 R HA -0.030 4.303 4.340 -0.010 0.000 0.225 43 R C 0.610 176.991 176.300 0.136 0.000 1.114 43 R CA 0.507 56.722 56.100 0.191 0.000 1.007 43 R CB -0.750 29.659 30.300 0.182 0.000 0.861 43 R HN 0.525 nan 8.270 nan 0.000 0.471 44 N N 0.087 118.831 118.700 0.073 0.000 2.376 44 N HA -0.065 4.669 4.740 -0.010 0.000 0.177 44 N C 1.533 177.061 175.510 0.030 0.000 1.024 44 N CA 1.215 54.295 53.050 0.050 0.000 0.893 44 N CB 0.449 38.955 38.487 0.032 0.000 0.980 44 N HN 0.207 nan 8.380 nan 0.000 0.439 45 V N -2.787 117.130 119.914 0.006 0.000 3.477 45 V HA 0.530 4.643 4.120 -0.010 0.000 0.297 45 V C 0.753 176.808 176.094 -0.065 0.000 1.433 45 V CA -0.579 61.709 62.300 -0.021 0.000 1.052 45 V CB -0.234 31.573 31.823 -0.027 0.000 0.895 45 V HN 0.022 nan 8.190 nan 0.000 0.438 46 A N 2.184 124.941 122.820 -0.105 0.000 2.477 46 A HA 0.584 4.898 4.320 -0.010 0.000 0.246 46 A C 0.741 178.125 177.584 -0.333 0.000 1.078 46 A CA 0.794 52.650 52.037 -0.301 0.000 0.770 46 A CB -0.087 18.598 19.000 -0.525 0.000 1.011 46 A HN 0.832 nan 8.150 nan 0.000 0.494 47 T N 0.137 114.500 114.554 -0.319 0.000 2.948 47 T HA 0.572 4.915 4.350 -0.010 0.000 0.285 47 T C -2.148 172.449 174.700 -0.173 0.000 1.019 47 T CA -1.795 60.207 62.100 -0.164 0.000 1.013 47 T CB 1.290 70.113 68.868 -0.074 0.000 1.117 47 T HN 0.243 nan 8.240 nan 0.000 0.533 48 P HA -0.098 nan 4.420 nan 0.000 0.216 48 P C 1.610 179.015 177.300 0.175 0.000 1.150 48 P CA 0.960 64.182 63.100 0.204 0.000 0.843 48 P CB 0.059 31.852 31.700 0.154 0.000 0.787 49 R N -0.106 120.446 120.500 0.087 0.000 2.096 49 R HA -0.142 4.192 4.340 -0.010 0.000 0.235 49 R C 1.627 178.099 176.300 0.286 0.000 1.127 49 R CA 1.744 57.940 56.100 0.161 0.000 0.968 49 R CB -0.680 29.638 30.300 0.029 0.000 0.861 49 R HN 0.072 nan 8.270 nan 0.000 0.440 50 D N -0.275 120.165 120.400 0.067 0.000 2.117 50 D HA -0.186 4.448 4.640 -0.010 0.000 0.197 50 D C 1.705 178.029 176.300 0.040 0.000 0.987 50 D CA 1.320 55.313 54.000 -0.011 0.000 0.829 50 D CB -0.333 40.311 40.800 -0.261 0.000 0.961 50 D HN 0.298 nan 8.370 nan 0.000 0.460 51 Y N -0.102 120.303 120.300 0.176 0.000 2.242 51 Y HA -0.188 4.356 4.550 -0.010 0.000 0.291 51 Y C 2.298 178.333 175.900 0.224 0.000 1.137 51 Y CA 0.309 58.553 58.100 0.239 0.000 1.181 51 Y CB -1.118 37.539 38.460 0.329 0.000 0.989 51 Y HN 0.094 nan 8.280 nan 0.000 0.527 52 Y N -0.482 119.965 120.300 0.245 0.000 2.145 52 Y HA -0.276 4.268 4.550 -0.011 0.000 0.286 52 Y C 1.938 177.811 175.900 -0.045 0.000 1.145 52 Y CA 1.292 59.432 58.100 0.068 0.000 1.148 52 Y CB -1.129 37.273 38.460 -0.096 0.000 0.981 52 Y HN 0.041 nan 8.280 nan 0.000 0.507 53 F N 0.238 119.971 119.950 -0.362 0.000 2.186 53 F HA -0.114 4.406 4.527 -0.010 0.000 0.299 53 F C 2.632 178.273 175.800 -0.265 0.000 1.090 53 F CA 1.256 58.994 58.000 -0.437 0.000 1.307 53 F CB -0.821 38.100 39.000 -0.132 0.000 1.019 53 F HN 0.203 nan 8.300 nan 0.000 0.489 54 A N -0.176 122.593 122.820 -0.085 0.000 1.902 54 A HA -0.177 4.137 4.320 -0.010 0.000 0.217 54 A C 2.064 179.513 177.584 -0.224 0.000 1.181 54 A CA 1.564 53.411 52.037 -0.316 0.000 0.623 54 A CB -0.975 17.500 19.000 -0.875 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.321 120.901 121.223 -0.001 0.000 2.056 55 L HA 0.026 4.359 4.340 -0.010 0.000 0.207 55 L C 2.654 179.512 176.870 -0.020 0.000 1.078 55 L CA 2.085 57.054 54.840 0.214 0.000 0.749 55 L CB -0.926 41.321 42.059 0.313 0.000 0.901 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.169 121.455 122.820 -0.326 0.000 1.883 56 A HA -0.282 4.032 4.320 -0.010 0.000 0.217 56 A C 2.144 179.379 177.584 -0.583 0.000 1.186 56 A CA 2.025 53.749 52.037 -0.521 0.000 0.624 56 A CB -1.100 17.262 19.000 -1.062 0.000 0.822 56 A HN 0.670 nan 8.150 nan 0.000 0.444 57 H N -0.895 117.862 119.070 -0.520 0.000 2.423 57 H HA -0.045 4.505 4.556 -0.010 0.000 0.297 57 H C 2.288 177.357 175.328 -0.432 0.000 1.075 57 H CA 1.886 57.554 56.048 -0.634 0.000 1.342 57 H CB -0.110 29.001 29.762 -1.086 0.000 1.395 57 H HN 0.463 nan 8.280 nan 0.000 0.530 58 T N -0.462 114.052 114.554 -0.067 0.000 2.777 58 T HA -0.111 4.232 4.350 -0.010 0.000 0.266 58 T C 2.236 177.105 174.700 0.282 0.000 1.040 58 T CA 1.259 63.496 62.100 0.229 0.000 1.141 58 T CB -0.306 68.763 68.868 0.334 0.000 0.868 58 T HN 0.101 nan 8.240 nan 0.000 0.444 59 V N 1.570 121.616 119.914 0.220 0.000 2.453 59 V HA -0.101 4.013 4.120 -0.010 0.000 0.247 59 V C 2.591 178.862 176.094 0.295 0.000 1.048 59 V CA 1.534 64.005 62.300 0.285 0.000 1.049 59 V CB -0.621 31.362 31.823 0.267 0.000 0.672 59 V HN 0.370 nan 8.190 nan 0.000 0.457 60 R N 0.366 120.978 120.500 0.186 0.000 2.091 60 R HA -0.221 4.113 4.340 -0.010 0.000 0.238 60 R C 1.962 178.357 176.300 0.159 0.000 1.136 60 R CA 2.163 58.366 56.100 0.172 0.000 0.959 60 R CB -0.439 29.797 30.300 -0.108 0.000 0.856 60 R HN 0.455 nan 8.270 nan 0.000 0.437 61 D N -0.016 120.461 120.400 0.128 0.000 2.158 61 D HA -0.184 4.450 4.640 -0.010 0.000 0.197 61 D C 1.682 177.991 176.300 0.016 0.000 0.995 61 D CA 1.195 55.241 54.000 0.078 0.000 0.846 61 D CB -0.421 40.413 40.800 0.055 0.000 0.941 61 D HN 0.464 nan 8.370 nan 0.000 0.456 62 H N -0.397 118.737 119.070 0.106 0.000 2.545 62 H HA 0.046 4.596 4.556 -0.010 0.000 0.282 62 H C 2.150 177.519 175.328 0.068 0.000 1.020 62 H CA 0.358 56.453 56.048 0.078 0.000 1.243 62 H CB 0.366 30.167 29.762 0.064 0.000 1.377 62 H HN 0.215 nan 8.280 nan 0.000 0.581 63 L N 0.249 121.579 121.223 0.179 0.000 2.168 63 L HA -0.101 4.233 4.340 -0.010 0.000 0.203 63 L C 2.748 179.725 176.870 0.179 0.000 1.078 63 L CA 0.467 55.382 54.840 0.124 0.000 0.780 63 L CB -0.171 41.934 42.059 0.076 0.000 0.939 63 L HN 0.086 nan 8.230 nan 0.000 0.451 64 V N -1.639 118.409 119.914 0.224 0.000 2.250 64 V HA -0.256 3.858 4.120 -0.010 0.000 0.250 64 V C 2.294 178.504 176.094 0.193 0.000 1.060 64 V CA 2.278 64.744 62.300 0.276 0.000 1.030 64 V CB -1.984 29.952 31.823 0.189 0.000 0.643 64 V HN 0.431 nan 8.190 nan 0.000 0.445 65 G N 0.303 109.170 108.800 0.113 0.000 2.446 65 G HA2 -0.262 3.691 3.960 -0.010 0.000 0.217 65 G HA3 -0.262 3.691 3.960 -0.010 0.000 0.217 65 G C 1.749 176.696 174.900 0.078 0.000 1.168 65 G CA 1.103 46.245 45.100 0.070 0.000 0.771 65 G HN 0.578 nan 8.290 nan 0.000 0.551 66 R N -1.494 119.060 120.500 0.090 0.000 2.092 66 R HA -0.063 4.271 4.340 -0.010 0.000 0.231 66 R C 2.270 178.647 176.300 0.129 0.000 1.119 66 R CA 1.054 57.193 56.100 0.065 0.000 0.970 66 R CB -0.338 29.982 30.300 0.033 0.000 0.864 66 R HN 0.483 nan 8.270 nan 0.000 0.440 67 W N 1.705 122.980 121.300 -0.041 0.000 2.355 67 W HA -0.060 4.594 4.660 -0.010 0.000 0.309 67 W C 1.705 178.190 176.519 -0.057 0.000 1.206 67 W CA 0.867 58.183 57.345 -0.048 0.000 1.284 67 W CB -0.563 28.887 29.460 -0.017 0.000 1.145 67 W HN -0.052 nan 8.180 nan 0.000 0.502 68 I N 1.068 121.694 120.570 0.093 0.000 2.226 68 I HA -0.339 3.824 4.170 -0.010 0.000 0.245 68 I C 2.618 178.717 176.117 -0.031 0.000 1.100 68 I CA 1.958 63.227 61.300 -0.051 0.000 1.374 68 I CB -0.595 37.379 38.000 -0.042 0.000 1.057 68 I HN -0.011 nan 8.210 nan 0.000 0.413 69 R N 0.164 120.661 120.500 -0.005 0.000 2.153 69 R HA -0.025 4.309 4.340 -0.010 0.000 0.218 69 R C 1.953 178.217 176.300 -0.059 0.000 1.072 69 R CA 1.372 57.461 56.100 -0.018 0.000 0.990 69 R CB -1.130 29.161 30.300 -0.016 0.000 0.889 69 R HN 0.180 nan 8.270 nan 0.000 0.452 70 T N 1.672 116.166 114.554 -0.099 0.000 2.674 70 T HA -0.103 4.241 4.350 -0.010 0.000 0.265 70 T C 1.828 176.263 174.700 -0.443 0.000 1.039 70 T CA 1.326 63.256 62.100 -0.284 0.000 1.150 70 T CB -0.110 68.621 68.868 -0.227 0.000 0.864 70 T HN 0.228 nan 8.240 nan 0.000 0.427 71 Q N 0.816 120.492 119.800 -0.207 0.000 2.124 71 Q HA -0.095 4.239 4.340 -0.010 0.000 0.202 71 Q C 2.338 178.349 176.000 0.018 0.000 0.977 71 Q CA 1.291 57.045 55.803 -0.082 0.000 0.850 71 Q CB -0.515 28.207 28.738 -0.026 0.000 0.901 71 Q HN 0.481 nan 8.270 nan 0.000 0.429 72 Q N 0.111 119.916 119.800 0.008 0.000 2.119 72 Q HA -0.179 4.155 4.340 -0.010 0.000 0.201 72 Q C 1.892 177.984 176.000 0.153 0.000 0.972 72 Q CA 1.859 57.716 55.803 0.089 0.000 0.847 72 Q CB -0.362 28.409 28.738 0.054 0.000 0.903 72 Q HN 0.554 nan 8.270 nan 0.000 0.433 73 H N -0.947 118.102 119.070 -0.036 0.000 2.290 73 H HA -0.185 4.364 4.556 -0.010 0.000 0.298 73 H C 1.192 176.593 175.328 0.122 0.000 1.087 73 H CA 2.350 58.388 56.048 -0.017 0.000 1.291 73 H CB -0.350 29.329 29.762 -0.137 0.000 1.369 73 H HN 0.352 nan 8.280 nan 0.000 0.492 74 Y N -1.010 119.353 120.300 0.105 0.000 2.274 74 Y HA -0.207 4.337 4.550 -0.011 0.000 0.290 74 Y C 2.438 178.377 175.900 0.065 0.000 1.145 74 Y CA 1.079 59.208 58.100 0.047 0.000 1.203 74 Y CB -1.311 37.232 38.460 0.137 0.000 0.984 74 Y HN 0.376 nan 8.280 nan 0.000 0.533 75 Y N 1.233 121.621 120.300 0.146 0.000 2.200 75 Y HA -0.154 4.390 4.550 -0.011 0.000 0.290 75 Y C 2.085 177.997 175.900 0.021 0.000 1.137 75 Y CA 1.544 59.692 58.100 0.079 0.000 1.163 75 Y CB -0.074 38.424 38.460 0.063 0.000 0.988 75 Y HN 0.042 nan 8.280 nan 0.000 0.518 76 E N 0.393 120.576 120.200 -0.029 0.000 2.046 76 E HA -0.157 4.187 4.350 -0.010 0.000 0.190 76 E C 1.971 178.468 176.600 -0.171 0.000 0.982 76 E CA 1.345 57.665 56.400 -0.134 0.000 0.800 76 E CB -0.258 29.416 29.700 -0.044 0.000 0.756 76 E HN 0.503 nan 8.360 nan 0.000 0.449 77 K N 0.612 120.898 120.400 -0.189 0.000 2.365 77 K HA -0.063 4.251 4.320 -0.010 0.000 0.197 77 K C 0.019 176.555 176.600 -0.107 0.000 1.042 77 K CA 0.442 56.628 56.287 -0.168 0.000 0.987 77 K CB 0.070 32.416 32.500 -0.256 0.000 0.779 77 K HN -0.019 nan 8.250 nan 0.000 0.484 78 D N 1.101 121.451 120.400 -0.083 0.000 2.697 78 D HA -0.108 4.526 4.640 -0.010 0.000 0.235 78 D C -2.368 173.907 176.300 -0.041 0.000 1.167 78 D CA 0.073 54.039 54.000 -0.056 0.000 0.656 78 D CB -0.077 40.662 40.800 -0.102 0.000 1.025 78 D HN 0.178 nan 8.370 nan 0.000 0.419 79 P HA 0.101 nan 4.420 nan 0.000 0.277 79 P C -0.171 177.089 177.300 -0.067 0.000 1.271 79 P CA -0.628 62.439 63.100 -0.056 0.000 0.795 79 P CB 0.655 32.310 31.700 -0.074 0.000 1.101 80 K N 1.062 121.424 120.400 -0.064 0.000 2.412 80 K HA 0.080 4.393 4.320 -0.010 0.000 0.281 80 K C -0.061 176.453 176.600 -0.143 0.000 1.027 80 K CA -0.079 56.165 56.287 -0.073 0.000 0.989 80 K CB 0.239 32.712 32.500 -0.045 0.000 0.935 80 K HN 0.249 nan 8.250 nan 0.000 0.475 81 R N 3.507 123.906 120.500 -0.168 0.000 2.368 81 R HA 0.356 4.689 4.340 -0.010 0.000 0.302 81 R C -0.554 175.463 176.300 -0.471 0.000 1.002 81 R CA -0.459 55.455 56.100 -0.310 0.000 0.929 81 R CB 0.839 30.951 30.300 -0.314 0.000 1.073 81 R HN 0.497 nan 8.270 nan 0.000 0.464 82 I N 4.332 124.567 120.570 -0.559 0.000 2.339 82 I HA 0.227 4.391 4.170 -0.010 0.000 0.290 82 I C -0.704 175.090 176.117 -0.539 0.000 0.994 82 I CA -0.806 60.120 61.300 -0.624 0.000 1.191 82 I CB 0.945 38.452 38.000 -0.823 0.000 1.343 82 I HN 0.531 nan 8.210 nan 0.000 0.458 83 Y N 5.895 126.161 120.300 -0.056 0.000 2.356 83 Y HA 0.293 4.837 4.550 -0.010 0.000 0.334 83 Y C -0.312 175.697 175.900 0.182 0.000 0.958 83 Y CA -0.744 57.449 58.100 0.156 0.000 1.196 83 Y CB 1.185 39.706 38.460 0.101 0.000 1.137 83 Y HN 0.397 nan 8.280 nan 0.000 0.485 84 Y N 4.628 125.109 120.300 0.302 0.000 2.518 84 Y HA 0.485 5.029 4.550 -0.010 0.000 0.344 84 Y C -1.269 174.896 175.900 0.443 0.000 0.982 84 Y CA -1.005 57.282 58.100 0.312 0.000 1.234 84 Y CB 0.288 38.932 38.460 0.306 0.000 1.114 84 Y HN 0.494 nan 8.280 nan 0.000 0.515 85 L N 5.047 126.326 121.223 0.094 0.000 2.265 85 L HA 0.481 4.815 4.340 -0.010 0.000 0.288 85 L C -0.122 176.767 176.870 0.032 0.000 1.058 85 L CA 0.100 55.050 54.840 0.183 0.000 0.809 85 L CB 1.257 43.392 42.059 0.126 0.000 1.179 85 L HN 0.569 nan 8.230 nan 0.000 0.429 86 S N 2.346 118.151 115.700 0.175 0.000 2.541 86 S HA 0.523 4.987 4.470 -0.010 0.000 0.271 86 S C 0.190 174.879 174.600 0.148 0.000 1.133 86 S CA -0.499 57.703 58.200 0.003 0.000 0.876 86 S CB 1.043 64.021 63.200 -0.369 0.000 1.105 86 S HN 0.461 nan 8.310 nan 0.000 0.470 87 L N 2.782 124.129 121.223 0.208 0.000 2.591 87 L HA 0.460 4.793 4.340 -0.010 0.000 0.228 87 L C 0.259 177.324 176.870 0.326 0.000 1.133 87 L CA 0.943 55.971 54.840 0.312 0.000 0.880 87 L CB -0.119 42.139 42.059 0.332 0.000 1.033 87 L HN 0.645 nan 8.230 nan 0.000 0.450 88 E N -1.274 118.990 120.200 0.106 0.000 2.292 88 E HA 0.398 4.742 4.350 -0.010 0.000 0.272 88 E C -1.390 175.080 176.600 -0.218 0.000 0.881 88 E CA -0.436 56.008 56.400 0.074 0.000 0.754 88 E CB 1.905 31.629 29.700 0.041 0.000 1.201 88 E HN -0.167 nan 8.360 nan 0.000 0.425 89 F N 2.188 122.244 119.950 0.176 0.000 2.771 89 F HA 0.169 4.689 4.527 -0.011 0.000 0.365 89 F C -0.845 175.041 175.800 0.143 0.000 1.169 89 F CA -0.737 57.356 58.000 0.155 0.000 1.093 89 F CB 0.932 40.014 39.000 0.137 0.000 1.363 89 F HN 0.491 nan 8.300 nan 0.000 0.496 90 Y N 5.207 125.575 120.300 0.113 0.000 2.636 90 Y HA 0.185 4.729 4.550 -0.010 0.000 0.334 90 Y C 1.072 176.991 175.900 0.033 0.000 1.286 90 Y CA -0.946 57.175 58.100 0.036 0.000 1.688 90 Y CB 0.257 38.719 38.460 0.004 0.000 1.662 90 Y HN 0.533 nan 8.280 nan 0.000 0.465 91 M N 1.269 121.007 119.600 0.229 0.000 2.254 91 M HA 0.090 4.563 4.480 -0.010 0.000 0.265 91 M C 1.598 177.873 176.300 -0.041 0.000 1.066 91 M CA 1.127 56.465 55.300 0.064 0.000 1.123 91 M CB -1.271 31.344 32.600 0.025 0.000 1.388 91 M HN 0.664 nan 8.290 nan 0.000 0.425 92 G N 1.078 109.866 108.800 -0.021 0.000 2.562 92 G HA2 -0.267 3.686 3.960 -0.010 0.000 0.250 92 G HA3 -0.267 3.686 3.960 -0.010 0.000 0.250 92 G C -0.277 174.577 174.900 -0.077 0.000 1.269 92 G CA -0.291 44.755 45.100 -0.090 0.000 0.919 92 G HN 0.437 nan 8.290 nan 0.000 0.574 93 R N -0.698 119.738 120.500 -0.107 0.000 2.531 93 R HA 0.575 4.909 4.340 -0.010 0.000 0.273 93 R C 1.097 177.279 176.300 -0.197 0.000 1.070 93 R CA 0.305 56.351 56.100 -0.090 0.000 1.112 93 R CB 0.714 30.971 30.300 -0.071 0.000 1.049 93 R HN 0.524 nan 8.270 nan 0.000 0.508 94 T N 1.125 115.509 114.554 -0.284 0.000 2.969 94 T HA -0.008 4.336 4.350 -0.010 0.000 0.250 94 T C 1.447 175.751 174.700 -0.660 0.000 1.021 94 T CA -0.146 61.575 62.100 -0.631 0.000 1.003 94 T CB 0.129 68.243 68.868 -1.256 0.000 1.040 94 T HN 0.306 nan 8.240 nan 0.000 0.492 95 L N 1.968 123.026 121.223 -0.275 0.000 1.955 95 L HA -0.071 4.263 4.340 -0.010 0.000 0.213 95 L C 2.465 179.294 176.870 -0.068 0.000 1.072 95 L CA 2.021 56.854 54.840 -0.010 0.000 0.755 95 L CB -0.696 41.561 42.059 0.330 0.000 0.888 95 L HN 0.181 nan 8.230 nan 0.000 0.432 96 Q N -0.828 118.935 119.800 -0.063 0.000 2.084 96 Q HA -0.250 4.084 4.340 -0.010 0.000 0.202 96 Q C 2.222 178.148 176.000 -0.123 0.000 0.978 96 Q CA 1.795 57.555 55.803 -0.071 0.000 0.844 96 Q CB -0.295 28.400 28.738 -0.072 0.000 0.898 96 Q HN 0.694 nan 8.270 nan 0.000 0.426 97 N N -0.941 117.646 118.700 -0.189 0.000 2.149 97 N HA -0.142 4.592 4.740 -0.010 0.000 0.188 97 N C 1.300 176.699 175.510 -0.185 0.000 1.019 97 N CA 1.716 54.645 53.050 -0.202 0.000 0.857 97 N CB 0.100 38.434 38.487 -0.256 0.000 0.997 97 N HN 0.208 nan 8.380 nan 0.000 0.426 98 T N 1.145 115.556 114.554 -0.238 0.000 2.777 98 T HA -0.024 4.319 4.350 -0.010 0.000 0.266 98 T C 2.053 176.688 174.700 -0.108 0.000 1.040 98 T CA 0.951 62.928 62.100 -0.204 0.000 1.141 98 T CB -0.032 68.669 68.868 -0.278 0.000 0.868 98 T HN 0.263 nan 8.240 nan 0.000 0.444 99 M N 0.605 120.158 119.600 -0.078 0.000 2.132 99 M HA -0.070 4.403 4.480 -0.010 0.000 0.263 99 M C 2.462 178.726 176.300 -0.060 0.000 1.065 99 M CA 1.166 56.433 55.300 -0.054 0.000 1.122 99 M CB -0.621 31.962 32.600 -0.027 0.000 1.365 99 M HN 0.096 nan 8.290 nan 0.000 0.411 100 V N 0.990 120.873 119.914 -0.051 0.000 2.255 100 V HA -0.277 3.836 4.120 -0.010 0.000 0.247 100 V C 1.735 177.832 176.094 0.005 0.000 1.051 100 V CA 2.063 64.359 62.300 -0.008 0.000 1.018 100 V CB -0.902 30.922 31.823 0.001 0.000 0.641 100 V HN 0.470 nan 8.190 nan 0.000 0.445 101 N N -0.346 118.344 118.700 -0.016 0.000 2.381 101 N HA -0.057 4.676 4.740 -0.010 0.000 0.182 101 N C 1.049 176.455 175.510 -0.174 0.000 1.025 101 N CA 0.733 53.751 53.050 -0.055 0.000 0.888 101 N CB -0.119 38.348 38.487 -0.034 0.000 0.965 101 N HN 0.289 nan 8.380 nan 0.000 0.438 102 L N -0.356 120.786 121.223 -0.134 0.000 2.640 102 L HA 0.410 4.743 4.340 -0.010 0.000 0.230 102 L C 0.553 177.336 176.870 -0.145 0.000 1.123 102 L CA -0.221 54.539 54.840 -0.133 0.000 0.900 102 L CB -0.682 41.324 42.059 -0.089 0.000 1.146 102 L HN 0.083 nan 8.230 nan 0.000 0.484 103 A N -0.449 122.281 122.820 -0.150 0.000 2.791 103 A HA -0.214 4.099 4.320 -0.010 0.000 0.292 103 A C 0.956 178.479 177.584 -0.101 0.000 1.487 103 A CA 0.929 52.891 52.037 -0.126 0.000 0.760 103 A CB -1.929 16.981 19.000 -0.149 0.000 1.031 103 A HN 0.217 nan 8.150 nan 0.000 0.503 104 L N -0.915 120.250 121.223 -0.097 0.000 2.766 104 L HA 0.267 4.600 4.340 -0.010 0.000 0.242 104 L C 1.759 178.591 176.870 -0.064 0.000 1.136 104 L CA 1.322 56.101 54.840 -0.103 0.000 0.933 104 L CB -0.139 41.828 42.059 -0.152 0.000 1.241 104 L HN 0.608 nan 8.230 nan 0.000 0.522 105 E N -0.022 120.150 120.200 -0.047 0.000 2.058 105 E HA -0.237 4.106 4.350 -0.010 0.000 0.194 105 E C 1.531 178.116 176.600 -0.024 0.000 0.997 105 E CA 1.475 57.858 56.400 -0.028 0.000 0.801 105 E CB 0.266 29.953 29.700 -0.023 0.000 0.746 105 E HN 0.424 nan 8.360 nan 0.000 0.450 106 N N -0.049 118.634 118.700 -0.029 0.000 2.188 106 N HA -0.110 4.624 4.740 -0.010 0.000 0.184 106 N C 1.563 177.059 175.510 -0.025 0.000 1.018 106 N CA 1.162 54.196 53.050 -0.027 0.000 0.858 106 N CB -0.318 38.152 38.487 -0.028 0.000 0.989 106 N HN 0.201 nan 8.380 nan 0.000 0.426 107 A N 0.410 123.212 122.820 -0.029 0.000 1.902 107 A HA -0.136 4.178 4.320 -0.010 0.000 0.217 107 A C 2.645 180.220 177.584 -0.015 0.000 1.181 107 A CA 1.252 53.274 52.037 -0.024 0.000 0.623 107 A CB -0.978 17.998 19.000 -0.040 0.000 0.818 107 A HN 0.426 nan 8.150 nan 0.000 0.443 108 C N -0.834 118.456 119.300 -0.017 0.000 2.435 108 C HA -0.055 4.398 4.460 -0.010 0.000 0.279 108 C C 2.461 177.451 174.990 -0.000 0.000 1.321 108 C CA 1.079 60.097 59.018 0.001 0.000 1.752 108 C CB -1.039 26.711 27.740 0.017 0.000 1.959 108 C HN 0.684 nan 8.230 nan 0.000 0.500 109 D N 0.725 121.124 120.400 -0.001 0.000 2.097 109 D HA -0.135 4.498 4.640 -0.010 0.000 0.197 109 D C 2.132 178.446 176.300 0.023 0.000 0.984 109 D CA 1.490 55.492 54.000 0.002 0.000 0.826 109 D CB -0.239 40.550 40.800 -0.017 0.000 0.973 109 D HN 0.479 nan 8.370 nan 0.000 0.460 110 E N 0.391 120.601 120.200 0.017 0.000 2.047 110 E HA -0.066 4.278 4.350 -0.010 0.000 0.191 110 E C 1.904 178.549 176.600 0.074 0.000 0.987 110 E CA 1.683 58.119 56.400 0.060 0.000 0.799 110 E CB -0.587 29.131 29.700 0.029 0.000 0.752 110 E HN 0.195 nan 8.360 nan 0.000 0.449 111 A N -0.051 122.775 122.820 0.010 0.000 1.883 111 A HA -0.240 4.074 4.320 -0.010 0.000 0.217 111 A C 2.518 180.030 177.584 -0.121 0.000 1.186 111 A CA 3.047 55.060 52.037 -0.039 0.000 0.624 111 A CB -1.562 17.418 19.000 -0.034 0.000 0.822 111 A HN 0.537 nan 8.150 nan 0.000 0.444 112 T N -3.772 110.702 114.554 -0.133 0.000 2.867 112 T HA -0.202 4.142 4.350 -0.010 0.000 0.268 112 T C 1.830 176.447 174.700 -0.138 0.000 1.057 112 T CA 1.501 63.459 62.100 -0.236 0.000 1.136 112 T CB -0.559 68.207 68.868 -0.169 0.000 0.874 112 T HN 0.465 nan 8.240 nan 0.000 0.466 113 Y N 2.247 122.465 120.300 -0.137 0.000 2.128 113 Y HA -0.102 4.443 4.550 -0.010 0.000 0.284 113 Y C 2.603 178.439 175.900 -0.106 0.000 1.154 113 Y CA 1.542 59.581 58.100 -0.102 0.000 1.149 113 Y CB -0.651 37.768 38.460 -0.068 0.000 0.976 113 Y HN 0.246 nan 8.280 nan 0.000 0.505 114 Q N -0.898 118.779 119.800 -0.205 0.000 2.226 114 Q HA -0.133 4.201 4.340 -0.010 0.000 0.204 114 Q C 1.527 177.371 176.000 -0.261 0.000 0.975 114 Q CA 1.031 56.674 55.803 -0.266 0.000 0.866 114 Q CB -0.112 28.564 28.738 -0.103 0.000 0.915 114 Q HN 0.356 nan 8.270 nan 0.000 0.440 115 L N -0.889 120.175 121.223 -0.264 0.000 2.591 115 L HA 0.142 4.476 4.340 -0.010 0.000 0.228 115 L C 1.015 177.720 176.870 -0.276 0.000 1.133 115 L CA 1.091 55.769 54.840 -0.270 0.000 0.880 115 L CB -0.230 41.591 42.059 -0.398 0.000 1.033 115 L HN 0.285 nan 8.230 nan 0.000 0.450 116 G N -0.103 108.517 108.800 -0.299 0.000 2.212 116 G HA2 -0.242 3.712 3.960 -0.010 0.000 0.255 116 G HA3 -0.242 3.712 3.960 -0.010 0.000 0.255 116 G C -0.031 174.742 174.900 -0.212 0.000 1.062 116 G CA 0.290 45.235 45.100 -0.258 0.000 0.815 116 G HN 0.272 nan 8.290 nan 0.000 0.497 117 L N -0.537 120.563 121.223 -0.206 0.000 2.354 117 L HA 0.608 4.942 4.340 -0.010 0.000 0.264 117 L C -0.747 176.099 176.870 -0.041 0.000 1.008 117 L CA -1.210 53.536 54.840 -0.156 0.000 0.819 117 L CB 2.035 43.932 42.059 -0.269 0.000 1.339 117 L HN 0.101 nan 8.230 nan 0.000 0.420 118 D N 1.951 122.353 120.400 0.003 0.000 2.373 118 D HA 0.198 4.832 4.640 -0.010 0.000 0.227 118 D C 0.629 176.958 176.300 0.048 0.000 1.091 118 D CA -0.280 53.746 54.000 0.044 0.000 0.840 118 D CB 1.538 42.368 40.800 0.049 0.000 1.060 118 D HN 0.518 nan 8.370 nan 0.000 0.502 119 M N 3.105 122.733 119.600 0.046 0.000 2.149 119 M HA -0.153 4.320 4.480 -0.010 0.000 0.261 119 M C 1.301 177.644 176.300 0.071 0.000 1.064 119 M CA 1.574 56.911 55.300 0.062 0.000 1.102 119 M CB 0.194 32.823 32.600 0.048 0.000 1.369 119 M HN 0.424 nan 8.290 nan 0.000 0.408 120 E N -0.229 120.004 120.200 0.055 0.000 2.153 120 E HA -0.258 4.085 4.350 -0.010 0.000 0.194 120 E C 1.842 178.477 176.600 0.059 0.000 0.988 120 E CA 1.439 57.871 56.400 0.052 0.000 0.811 120 E CB -0.129 29.598 29.700 0.045 0.000 0.746 120 E HN 0.643 nan 8.360 nan 0.000 0.466 121 E N 0.411 120.649 120.200 0.063 0.000 2.072 121 E HA -0.196 4.148 4.350 -0.010 0.000 0.191 121 E C 1.877 178.522 176.600 0.074 0.000 0.985 121 E CA 0.639 57.076 56.400 0.063 0.000 0.801 121 E CB 0.160 29.898 29.700 0.064 0.000 0.750 121 E HN 0.077 nan 8.360 nan 0.000 0.452 122 L N 1.408 122.697 121.223 0.110 0.000 2.093 122 L HA -0.128 4.205 4.340 -0.010 0.000 0.208 122 L C 2.066 179.009 176.870 0.121 0.000 1.085 122 L CA 1.594 56.534 54.840 0.167 0.000 0.755 122 L CB -0.518 41.691 42.059 0.250 0.000 0.904 122 L HN 0.140 nan 8.230 nan 0.000 0.435 123 E N -0.586 119.673 120.200 0.099 0.000 2.153 123 E HA -0.189 4.154 4.350 -0.010 0.000 0.194 123 E C 1.737 178.312 176.600 -0.042 0.000 0.988 123 E CA 0.762 57.195 56.400 0.056 0.000 0.811 123 E CB -0.035 29.699 29.700 0.057 0.000 0.746 123 E HN 0.435 nan 8.360 nan 0.000 0.466 124 E N 0.330 120.517 120.200 -0.022 0.000 2.418 124 E HA -0.085 4.258 4.350 -0.010 0.000 0.197 124 E C 1.821 178.364 176.600 -0.094 0.000 1.026 124 E CA 0.481 56.866 56.400 -0.026 0.000 0.862 124 E CB 0.090 29.805 29.700 0.025 0.000 0.799 124 E HN 0.427 nan 8.360 nan 0.000 0.518 125 I N 0.724 121.174 120.570 -0.200 0.000 2.716 125 I HA -0.085 4.079 4.170 -0.010 0.000 0.259 125 I C 1.367 177.183 176.117 -0.502 0.000 1.172 125 I CA 0.153 61.270 61.300 -0.305 0.000 1.478 125 I CB 0.081 37.901 38.000 -0.300 0.000 1.104 125 I HN -0.019 nan 8.210 nan 0.000 0.439 126 E N 2.726 122.505 120.200 -0.701 0.000 2.384 126 E HA -0.032 4.312 4.350 -0.010 0.000 0.266 126 E C -0.220 176.301 176.600 -0.132 0.000 1.012 126 E CA -0.225 55.830 56.400 -0.574 0.000 0.901 126 E CB 0.676 30.163 29.700 -0.355 0.000 0.967 126 E HN 0.072 nan 8.360 nan 0.000 0.435 127 E N 3.295 123.517 120.200 0.037 0.000 2.366 127 E HA 0.087 4.431 4.350 -0.010 0.000 0.266 127 E C -0.868 175.846 176.600 0.191 0.000 1.051 127 E CA -0.210 56.294 56.400 0.173 0.000 0.884 127 E CB 0.831 30.726 29.700 0.326 0.000 1.006 127 E HN 0.492 nan 8.360 nan 0.000 0.417 128 D N 0.510 120.995 120.400 0.141 0.000 2.382 128 D HA 0.227 4.861 4.640 -0.010 0.000 0.245 128 D C -0.448 175.881 176.300 0.048 0.000 1.120 128 D CA 0.005 54.054 54.000 0.082 0.000 0.890 128 D CB 0.755 41.589 40.800 0.055 0.000 1.201 128 D HN 0.370 nan 8.370 nan 0.000 0.433 129 A N 2.237 125.033 122.820 -0.041 0.000 2.666 129 A HA 0.479 4.792 4.320 -0.010 0.000 0.312 129 A C 0.944 178.363 177.584 -0.275 0.000 1.471 129 A CA -0.501 51.299 52.037 -0.394 0.000 1.134 129 A CB -0.252 18.609 19.000 -0.232 0.000 1.129 129 A HN 0.534 nan 8.150 nan 0.000 0.539 130 G N 1.967 110.557 108.800 -0.351 0.000 3.717 130 G HA2 0.403 4.357 3.960 -0.010 0.000 0.258 130 G HA3 0.403 4.357 3.960 -0.010 0.000 0.258 130 G C 0.327 174.985 174.900 -0.403 0.000 1.088 130 G CA -0.289 44.683 45.100 -0.213 0.000 1.737 130 G HN 0.695 nan 8.290 nan 0.000 0.648 131 L N 1.348 122.398 121.223 -0.288 0.000 2.862 131 L HA 0.365 4.698 4.340 -0.010 0.000 0.240 131 L C 1.069 177.871 176.870 -0.113 0.000 1.283 131 L CA -0.194 54.587 54.840 -0.099 0.000 1.117 131 L CB -0.387 41.741 42.059 0.114 0.000 1.444 131 L HN 0.339 nan 8.230 nan 0.000 0.456 132 G N -1.331 107.168 108.800 -0.502 0.000 2.660 132 G HA2 0.205 4.159 3.960 -0.010 0.000 0.290 132 G HA3 0.205 4.159 3.960 -0.010 0.000 0.290 132 G C -0.160 174.304 174.900 -0.727 0.000 1.432 132 G CA -0.453 44.349 45.100 -0.496 0.000 0.807 132 G HN -0.097 nan 8.290 nan 0.000 0.485 133 N N -0.814 117.690 118.700 -0.327 0.000 2.436 133 N HA 0.212 4.946 4.740 -0.010 0.000 0.178 133 N C 1.146 176.656 175.510 0.001 0.000 1.026 133 N CA 1.292 54.232 53.050 -0.183 0.000 0.880 133 N CB 1.218 39.691 38.487 -0.024 0.000 1.061 133 N HN 0.807 nan 8.380 nan 0.000 0.434 134 G N -0.746 108.125 108.800 0.119 0.000 2.929 134 G HA2 0.243 4.197 3.960 -0.010 0.000 0.123 134 G HA3 0.243 4.197 3.960 -0.010 0.000 0.123 134 G C 0.731 175.737 174.900 0.178 0.000 1.212 134 G CA 0.249 45.484 45.100 0.226 0.000 1.238 134 G HN 0.150 nan 8.290 nan 0.000 0.617 135 G N 0.229 109.083 108.800 0.089 0.000 2.476 135 G HA2 -0.073 3.881 3.960 -0.010 0.000 0.218 135 G HA3 -0.073 3.881 3.960 -0.010 0.000 0.218 135 G C 1.831 176.715 174.900 -0.026 0.000 1.164 135 G CA 1.833 46.947 45.100 0.023 0.000 0.768 135 G HN 0.691 nan 8.290 nan 0.000 0.560 136 L N 1.606 122.793 121.223 -0.059 0.000 2.046 136 L HA 0.143 4.476 4.340 -0.010 0.000 0.208 136 L C 2.776 179.578 176.870 -0.113 0.000 1.077 136 L CA 2.438 57.166 54.840 -0.187 0.000 0.747 136 L CB -1.086 40.832 42.059 -0.235 0.000 0.896 136 L HN 0.167 nan 8.230 nan 0.000 0.432 137 G N -1.182 107.611 108.800 -0.011 0.000 2.408 137 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.217 137 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.217 137 G C 1.759 176.722 174.900 0.106 0.000 1.150 137 G CA 0.439 45.558 45.100 0.031 0.000 0.776 137 G HN 0.233 nan 8.290 nan 0.000 0.542 138 R N 0.185 120.769 120.500 0.139 0.000 2.090 138 R HA 0.101 4.435 4.340 -0.010 0.000 0.228 138 R C 2.424 178.716 176.300 -0.014 0.000 1.110 138 R CA 0.704 56.861 56.100 0.096 0.000 0.973 138 R CB -1.036 29.287 30.300 0.038 0.000 0.869 138 R HN 0.383 nan 8.270 nan 0.000 0.440 139 L N 0.681 121.825 121.223 -0.132 0.000 2.042 139 L HA -0.072 4.262 4.340 -0.010 0.000 0.210 139 L C 2.147 178.696 176.870 -0.534 0.000 1.076 139 L CA 2.222 56.831 54.840 -0.384 0.000 0.749 139 L CB -0.764 41.039 42.059 -0.426 0.000 0.893 139 L HN 0.194 nan 8.230 nan 0.000 0.432 140 A N -0.732 121.930 122.820 -0.263 0.000 1.933 140 A HA -0.090 4.223 4.320 -0.010 0.000 0.218 140 A C 2.430 180.061 177.584 0.078 0.000 1.175 140 A CA 1.696 53.653 52.037 -0.133 0.000 0.628 140 A CB -1.055 17.838 19.000 -0.178 0.000 0.814 140 A HN 0.563 nan 8.150 nan 0.000 0.444 141 A N -1.037 121.860 122.820 0.128 0.000 1.898 141 A HA -0.139 4.174 4.320 -0.010 0.000 0.216 141 A C 2.294 179.948 177.584 0.117 0.000 1.181 141 A CA 1.596 53.740 52.037 0.179 0.000 0.620 141 A CB -1.236 17.859 19.000 0.158 0.000 0.819 141 A HN 0.584 nan 8.150 nan 0.000 0.442 142 C N -1.375 117.986 119.300 0.102 0.000 2.425 142 C HA -0.057 4.397 4.460 -0.010 0.000 0.277 142 C C 2.424 177.568 174.990 0.256 0.000 1.280 142 C CA 0.553 59.671 59.018 0.167 0.000 1.744 142 C CB -1.608 26.249 27.740 0.194 0.000 1.989 142 C HN 0.603 nan 8.230 nan 0.000 0.491 143 F N 1.231 121.162 119.950 -0.031 0.000 2.134 143 F HA -0.071 4.450 4.527 -0.011 0.000 0.299 143 F C 2.248 177.987 175.800 -0.103 0.000 1.097 143 F CA 1.009 58.938 58.000 -0.119 0.000 1.264 143 F CB -1.401 37.390 39.000 -0.348 0.000 1.001 143 F HN 0.200 nan 8.300 nan 0.000 0.479 144 L N -0.406 120.891 121.223 0.122 0.000 2.046 144 L HA -0.249 4.085 4.340 -0.010 0.000 0.208 144 L C 2.144 179.024 176.870 0.016 0.000 1.077 144 L CA 1.951 56.818 54.840 0.044 0.000 0.747 144 L CB -0.799 41.287 42.059 0.044 0.000 0.896 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -0.402 120.018 120.400 0.033 0.000 2.097 145 D HA -0.171 4.463 4.640 -0.010 0.000 0.195 145 D C 2.214 178.529 176.300 0.025 0.000 0.989 145 D CA 1.493 55.498 54.000 0.009 0.000 0.827 145 D CB 0.206 41.010 40.800 0.007 0.000 0.966 145 D HN 0.070 nan 8.370 nan 0.000 0.456 146 S N -0.709 115.024 115.700 0.056 0.000 2.383 146 S HA -0.103 4.361 4.470 -0.010 0.000 0.227 146 S C 1.993 176.607 174.600 0.023 0.000 1.026 146 S CA 0.871 59.097 58.200 0.043 0.000 0.981 146 S CB -0.222 63.011 63.200 0.056 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.935 120.542 119.600 0.011 0.000 2.159 147 M HA -0.096 4.378 4.480 -0.010 0.000 0.263 147 M C 2.419 178.719 176.300 0.000 0.000 1.063 147 M CA 1.397 56.700 55.300 0.004 0.000 1.110 147 M CB -0.505 32.078 32.600 -0.030 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.337 122.480 122.820 -0.007 0.000 1.897 148 A HA -0.092 4.221 4.320 -0.010 0.000 0.215 148 A C 2.160 179.754 177.584 0.018 0.000 1.181 148 A CA 1.808 53.843 52.037 -0.004 0.000 0.620 148 A CB -0.961 18.019 19.000 -0.033 0.000 0.821 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 T N 0.260 114.830 114.554 0.027 0.000 2.915 149 T HA 0.022 4.366 4.350 -0.010 0.000 0.269 149 T C 1.260 175.988 174.700 0.046 0.000 1.071 149 T CA 0.972 63.102 62.100 0.050 0.000 1.132 149 T CB -0.254 68.652 68.868 0.063 0.000 0.878 149 T HN 0.327 nan 8.240 nan 0.000 0.479 150 L N 0.508 121.755 121.223 0.040 0.000 2.653 150 L HA 0.304 4.637 4.340 -0.010 0.000 0.231 150 L C 1.575 178.474 176.870 0.050 0.000 1.153 150 L CA -0.165 54.701 54.840 0.043 0.000 0.933 150 L CB -0.365 41.720 42.059 0.043 0.000 1.175 150 L HN 0.369 nan 8.230 nan 0.000 0.473 151 G N 1.194 110.026 108.800 0.053 0.000 2.283 151 G HA2 -0.289 3.664 3.960 -0.010 0.000 0.280 151 G HA3 -0.289 3.664 3.960 -0.010 0.000 0.280 151 G C 0.110 175.057 174.900 0.078 0.000 1.029 151 G CA 0.136 45.284 45.100 0.080 0.000 0.840 151 G HN 0.297 nan 8.290 nan 0.000 0.505 152 L N -0.301 120.939 121.223 0.028 0.000 2.334 152 L HA 0.617 4.951 4.340 -0.010 0.000 0.277 152 L C 1.177 177.934 176.870 -0.189 0.000 1.075 152 L CA -0.429 54.381 54.840 -0.050 0.000 0.804 152 L CB 1.637 43.676 42.059 -0.034 0.000 1.174 152 L HN 0.247 nan 8.230 nan 0.000 0.438 153 A N 2.925 125.493 122.820 -0.419 0.000 2.990 153 A HA 0.566 4.879 4.320 -0.010 0.000 0.282 153 A C 0.279 177.522 177.584 -0.567 0.000 1.688 153 A CA -0.171 51.328 52.037 -0.896 0.000 1.391 153 A CB -0.646 17.710 19.000 -1.073 0.000 1.112 153 A HN 0.696 nan 8.150 nan 0.000 0.588 154 A N 1.459 123.994 122.820 -0.476 0.000 2.340 154 A HA 0.811 5.125 4.320 -0.010 0.000 0.331 154 A C -1.005 176.305 177.584 -0.457 0.000 1.140 154 A CA -0.463 51.350 52.037 -0.374 0.000 0.801 154 A CB 0.778 19.628 19.000 -0.251 0.000 1.234 154 A HN 0.625 nan 8.150 nan 0.000 0.469 155 Y N 0.077 120.297 120.300 -0.132 0.000 2.406 155 Y HA 0.548 5.092 4.550 -0.010 0.000 0.340 155 Y C 0.784 176.739 175.900 0.092 0.000 0.975 155 Y CA -0.537 57.547 58.100 -0.027 0.000 1.056 155 Y CB 2.512 41.031 38.460 0.098 0.000 1.210 155 Y HN 0.840 nan 8.280 nan 0.000 0.448 156 G N 2.016 110.867 108.800 0.086 0.000 2.332 156 G HA2 0.491 4.445 3.960 -0.010 0.000 0.310 156 G HA3 0.491 4.445 3.960 -0.010 0.000 0.310 156 G C -1.866 173.019 174.900 -0.024 0.000 1.123 156 G CA -0.334 44.854 45.100 0.147 0.000 0.873 156 G HN 0.507 nan 8.290 nan 0.000 0.460 157 Y N 1.022 121.539 120.300 0.363 0.000 2.350 157 Y HA 0.635 5.179 4.550 -0.010 0.000 0.338 157 Y C 0.750 176.945 175.900 0.492 0.000 0.961 157 Y CA 0.154 58.440 58.100 0.309 0.000 1.100 157 Y CB 2.641 41.309 38.460 0.346 0.000 1.179 157 Y HN 0.870 nan 8.280 nan 0.000 0.454 158 G N 2.355 111.470 108.800 0.525 0.000 2.753 158 G HA2 0.617 4.570 3.960 -0.010 0.000 0.303 158 G HA3 0.617 4.570 3.960 -0.010 0.000 0.303 158 G C -1.714 173.414 174.900 0.381 0.000 1.242 158 G CA -0.824 44.611 45.100 0.558 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.486 121.173 120.570 0.196 0.000 2.474 159 I HA 0.436 4.599 4.170 -0.010 0.000 0.294 159 I C 0.240 176.255 176.117 -0.170 0.000 1.005 159 I CA -0.734 60.573 61.300 0.012 0.000 1.113 159 I CB 2.290 40.127 38.000 -0.271 0.000 1.289 159 I HN 0.368 nan 8.210 nan 0.000 0.436 160 R N 5.969 126.474 120.500 0.009 0.000 2.608 160 R HA 0.232 4.566 4.340 -0.010 0.000 0.277 160 R C -1.252 175.105 176.300 0.095 0.000 1.341 160 R CA -0.411 55.729 56.100 0.066 0.000 1.199 160 R CB -0.050 30.262 30.300 0.019 0.000 1.156 160 R HN 0.392 nan 8.270 nan 0.000 0.558 161 Y N 1.492 121.956 120.300 0.273 0.000 2.511 161 Y HA -0.068 4.476 4.550 -0.011 0.000 0.332 161 Y C 1.549 177.636 175.900 0.313 0.000 1.177 161 Y CA 0.041 58.294 58.100 0.255 0.000 1.422 161 Y CB 0.846 39.432 38.460 0.210 0.000 1.271 161 Y HN 0.590 nan 8.280 nan 0.000 0.550 162 E N 1.892 122.298 120.200 0.344 0.000 2.152 162 E HA -0.029 4.315 4.350 -0.010 0.000 0.192 162 E C -0.749 175.772 176.600 -0.132 0.000 0.983 162 E CA 0.625 57.041 56.400 0.027 0.000 0.818 162 E CB 0.203 29.851 29.700 -0.087 0.000 0.758 162 E HN 0.492 nan 8.360 nan 0.000 0.467 163 F N -0.294 119.869 119.950 0.355 0.000 2.477 163 F HA 0.433 4.953 4.527 -0.011 0.000 0.335 163 F C 0.747 176.635 175.800 0.146 0.000 1.130 163 F CA -0.876 57.289 58.000 0.276 0.000 0.948 163 F CB 1.851 40.944 39.000 0.156 0.000 1.154 163 F HN -0.111 nan 8.300 nan 0.000 0.439 164 G N 1.882 110.787 108.800 0.176 0.000 2.531 164 G HA2 0.352 4.306 3.960 -0.010 0.000 0.253 164 G HA3 0.352 4.306 3.960 -0.010 0.000 0.253 164 G C -0.525 174.333 174.900 -0.069 0.000 1.439 164 G CA -0.685 44.367 45.100 -0.080 0.000 1.056 164 G HN 0.540 nan 8.290 nan 0.000 0.555 165 I N 0.903 121.349 120.570 -0.206 0.000 2.775 165 I HA 0.207 4.371 4.170 -0.010 0.000 0.290 165 I C 0.535 176.556 176.117 -0.161 0.000 1.203 165 I CA -1.171 59.978 61.300 -0.252 0.000 1.433 165 I CB -0.302 37.448 38.000 -0.416 0.000 1.354 165 I HN 0.331 nan 8.210 nan 0.000 0.579 166 F N 6.385 126.349 119.950 0.024 0.000 2.589 166 F HA 0.260 4.781 4.527 -0.010 0.000 0.352 166 F C 0.471 176.324 175.800 0.089 0.000 1.168 166 F CA -0.549 57.488 58.000 0.063 0.000 1.353 166 F CB -0.316 38.708 39.000 0.041 0.000 1.116 166 F HN 0.431 nan 8.300 nan 0.000 0.608 167 N N 2.209 121.110 118.700 0.335 0.000 2.488 167 N HA 0.066 4.800 4.740 -0.010 0.000 0.274 167 N C -0.871 174.890 175.510 0.419 0.000 1.111 167 N CA -0.321 52.890 53.050 0.268 0.000 0.974 167 N CB 1.243 39.869 38.487 0.232 0.000 1.089 167 N HN 0.759 nan 8.380 nan 0.000 0.465 168 Q N 2.390 122.404 119.800 0.357 0.000 2.278 168 Q HA 0.189 4.522 4.340 -0.010 0.000 0.257 168 Q C -0.980 175.189 176.000 0.281 0.000 0.928 168 Q CA -0.415 55.628 55.803 0.399 0.000 0.932 168 Q CB 0.728 29.710 28.738 0.406 0.000 1.221 168 Q HN 0.224 nan 8.270 nan 0.000 0.434 169 K N 4.015 124.554 120.400 0.231 0.000 2.259 169 K HA 0.494 4.808 4.320 -0.010 0.000 0.249 169 K C -0.729 175.961 176.600 0.151 0.000 0.942 169 K CA -0.865 55.531 56.287 0.182 0.000 0.816 169 K CB 1.623 34.210 32.500 0.146 0.000 1.155 169 K HN 0.633 nan 8.250 nan 0.000 0.428 170 I N 2.398 123.047 120.570 0.132 0.000 2.355 170 I HA 0.224 4.388 4.170 -0.010 0.000 0.288 170 I C -0.411 175.756 176.117 0.082 0.000 0.999 170 I CA -0.620 60.728 61.300 0.080 0.000 1.163 170 I CB 0.838 38.865 38.000 0.046 0.000 1.316 170 I HN 0.393 nan 8.210 nan 0.000 0.454 171 C N 3.954 123.315 119.300 0.101 0.000 2.322 171 C HA 0.595 5.049 4.460 -0.010 0.000 0.324 171 C C 1.156 176.245 174.990 0.164 0.000 1.249 171 C CA -0.427 58.657 59.018 0.110 0.000 1.453 171 C CB 0.544 28.343 27.740 0.097 0.000 2.145 171 C HN 1.085 nan 8.230 nan 0.000 0.466 172 G N 2.440 111.311 108.800 0.118 0.000 2.225 172 G HA2 0.109 4.063 3.960 -0.010 0.000 0.267 172 G HA3 0.109 4.063 3.960 -0.010 0.000 0.267 172 G C 1.084 176.016 174.900 0.054 0.000 1.024 172 G CA 0.978 46.162 45.100 0.140 0.000 0.784 172 G HN 2.389 nan 8.290 nan 0.000 0.507 173 G N -2.976 105.792 108.800 -0.053 0.000 2.179 173 G HA2 -0.283 3.670 3.960 -0.010 0.000 0.260 173 G HA3 -0.283 3.670 3.960 -0.010 0.000 0.260 173 G C 0.335 175.002 174.900 -0.388 0.000 0.977 173 G CA 0.690 45.634 45.100 -0.260 0.000 0.641 173 G HN 1.223 nan 8.290 nan 0.000 0.533 174 W N 0.699 121.938 121.300 -0.100 0.000 2.570 174 W HA 0.673 5.326 4.660 -0.010 0.000 0.337 174 W C 0.578 177.037 176.519 -0.101 0.000 1.067 174 W CA -0.918 56.361 57.345 -0.109 0.000 1.229 174 W CB 0.851 30.264 29.460 -0.078 0.000 1.355 174 W HN 0.247 nan 8.180 nan 0.000 0.555 175 Q N 2.970 122.861 119.800 0.151 0.000 2.304 175 Q HA 0.275 4.609 4.340 -0.010 0.000 0.260 175 Q C -0.643 175.404 176.000 0.079 0.000 0.965 175 Q CA 0.158 56.016 55.803 0.091 0.000 0.898 175 Q CB 0.566 29.351 28.738 0.080 0.000 1.196 175 Q HN 0.321 nan 8.270 nan 0.000 0.402 176 M N 3.184 122.824 119.600 0.067 0.000 2.393 176 M HA 0.389 4.862 4.480 -0.010 0.000 0.316 176 M C -1.193 175.104 176.300 -0.006 0.000 1.087 176 M CA -0.660 54.649 55.300 0.014 0.000 0.937 176 M CB 1.867 34.492 32.600 0.042 0.000 1.668 176 M HN 0.628 nan 8.290 nan 0.000 0.438 177 E N 1.709 121.834 120.200 -0.125 0.000 2.191 177 E HA 0.520 4.864 4.350 -0.010 0.000 0.274 177 E C -0.736 175.846 176.600 -0.030 0.000 0.948 177 E CA -0.638 55.651 56.400 -0.185 0.000 0.802 177 E CB 1.786 31.089 29.700 -0.661 0.000 1.137 177 E HN 0.527 nan 8.360 nan 0.000 0.397 178 E N 0.845 121.110 120.200 0.109 0.000 2.314 178 E HA 0.693 5.036 4.350 -0.010 0.000 0.272 178 E C -1.100 175.598 176.600 0.164 0.000 0.884 178 E CA -1.467 54.995 56.400 0.103 0.000 0.753 178 E CB 1.453 31.222 29.700 0.115 0.000 1.213 178 E HN 0.481 nan 8.360 nan 0.000 0.432 179 A N 2.362 125.244 122.820 0.103 0.000 2.565 179 A HA 0.022 4.336 4.320 -0.010 0.000 0.237 179 A C -0.007 177.768 177.584 0.320 0.000 1.053 179 A CA 0.431 52.556 52.037 0.147 0.000 0.755 179 A CB -0.023 18.956 19.000 -0.036 0.000 0.980 179 A HN 0.690 nan 8.150 nan 0.000 0.506 180 D N 1.650 122.309 120.400 0.432 0.000 2.524 180 D HA 0.210 4.844 4.640 -0.010 0.000 0.222 180 D C -0.428 176.173 176.300 0.500 0.000 1.142 180 D CA -0.233 54.005 54.000 0.396 0.000 0.973 180 D CB 0.267 41.234 40.800 0.278 0.000 1.025 180 D HN 0.408 nan 8.370 nan 0.000 0.519 181 D N 3.411 124.061 120.400 0.417 0.000 2.688 181 D HA -0.027 4.607 4.640 -0.010 0.000 0.228 181 D C 1.266 177.651 176.300 0.142 0.000 1.116 181 D CA -0.560 53.552 54.000 0.188 0.000 1.023 181 D CB -0.172 40.761 40.800 0.222 0.000 1.100 181 D HN 0.512 nan 8.370 nan 0.000 0.487 182 W N 1.909 123.206 121.300 -0.004 0.000 2.525 182 W HA -0.051 4.603 4.660 -0.010 0.000 0.259 182 W C 0.076 176.625 176.519 0.050 0.000 1.253 182 W CA 0.150 57.527 57.345 0.053 0.000 1.262 182 W CB -0.743 28.762 29.460 0.074 0.000 1.122 182 W HN 0.207 nan 8.180 nan 0.000 0.607 183 L N 0.934 121.760 121.223 -0.663 0.000 2.592 183 L HA 0.166 4.499 4.340 -0.010 0.000 0.227 183 L C 2.752 179.429 176.870 -0.321 0.000 1.127 183 L CA -0.027 54.408 54.840 -0.675 0.000 0.884 183 L CB -0.639 40.920 42.059 -0.833 0.000 1.065 183 L HN -0.103 nan 8.230 nan 0.000 0.457 184 R N 0.719 121.070 120.500 -0.248 0.000 2.136 184 R HA -0.255 4.079 4.340 -0.010 0.000 0.242 184 R C 1.501 177.595 176.300 -0.343 0.000 1.131 184 R CA 2.294 58.205 56.100 -0.314 0.000 0.937 184 R CB -0.282 29.772 30.300 -0.410 0.000 0.863 184 R HN 0.284 nan 8.270 nan 0.000 0.435 185 Y N -0.488 119.824 120.300 0.021 0.000 2.466 185 Y HA 0.318 4.862 4.550 -0.010 0.000 0.272 185 Y C 0.858 176.748 175.900 -0.018 0.000 1.169 185 Y CA 0.542 58.662 58.100 0.034 0.000 1.285 185 Y CB 0.635 39.219 38.460 0.206 0.000 1.078 185 Y HN 0.484 nan 8.280 nan 0.000 0.523 186 G N 1.166 110.007 108.800 0.068 0.000 2.663 186 G HA2 -0.203 3.750 3.960 -0.010 0.000 0.686 186 G HA3 -0.203 3.750 3.960 -0.010 0.000 0.686 186 G C -1.289 173.688 174.900 0.129 0.000 1.246 186 G CA -0.876 44.235 45.100 0.019 0.000 0.795 186 G HN 0.236 nan 8.290 nan 0.000 0.627 187 N N 1.413 120.133 118.700 0.033 0.000 2.524 187 N HA 0.566 5.300 4.740 -0.010 0.000 0.261 187 N C -0.569 174.951 175.510 0.016 0.000 0.998 187 N CA -1.966 51.124 53.050 0.067 0.000 0.915 187 N CB 2.054 40.517 38.487 -0.040 0.000 1.187 187 N HN 0.268 nan 8.380 nan 0.000 0.507 188 P HA 0.004 nan 4.420 nan 0.000 0.229 188 P C 0.603 177.575 177.300 -0.548 0.000 1.160 188 P CA 0.721 63.522 63.100 -0.498 0.000 0.777 188 P CB 0.135 31.271 31.700 -0.939 0.000 0.814 189 W N 1.989 123.297 121.300 0.013 0.000 2.523 189 W HA 0.048 4.702 4.660 -0.010 0.000 0.278 189 W C 1.345 177.905 176.519 0.069 0.000 1.236 189 W CA -0.276 57.075 57.345 0.009 0.000 1.306 189 W CB -0.339 29.127 29.460 0.011 0.000 1.101 189 W HN 0.012 nan 8.180 nan 0.000 0.577 190 E N 1.735 122.108 120.200 0.289 0.000 2.349 190 E HA 0.330 4.673 4.350 -0.010 0.000 0.262 190 E C -0.582 176.182 176.600 0.273 0.000 1.088 190 E CA -0.678 55.901 56.400 0.299 0.000 0.899 190 E CB 1.254 31.142 29.700 0.314 0.000 1.044 190 E HN -0.324 nan 8.360 nan 0.000 0.420 191 K N 1.358 121.928 120.400 0.283 0.000 2.545 191 K HA 0.425 4.739 4.320 -0.010 0.000 0.252 191 K C -1.281 175.330 176.600 0.019 0.000 0.948 191 K CA -0.453 55.932 56.287 0.164 0.000 0.827 191 K CB 1.649 34.249 32.500 0.165 0.000 1.128 191 K HN 0.678 nan 8.250 nan 0.000 0.429 192 A N 3.873 126.611 122.820 -0.137 0.000 2.462 192 A HA 0.426 4.739 4.320 -0.010 0.000 0.243 192 A C -0.267 177.162 177.584 -0.259 0.000 1.076 192 A CA -0.158 51.565 52.037 -0.524 0.000 0.773 192 A CB 0.256 18.911 19.000 -0.575 0.000 1.010 192 A HN 0.657 nan 8.150 nan 0.000 0.493 193 R N 2.715 123.074 120.500 -0.235 0.000 2.782 193 R HA 0.202 4.535 4.340 -0.010 0.000 0.293 193 R C -2.355 173.955 176.300 0.018 0.000 1.333 193 R CA -1.707 54.391 56.100 -0.005 0.000 1.479 193 R CB 0.586 30.997 30.300 0.185 0.000 1.306 193 R HN 0.601 nan 8.270 nan 0.000 0.654 194 P HA -0.200 nan 4.420 nan 0.000 0.222 194 P C 0.759 178.034 177.300 -0.041 0.000 1.142 194 P CA 1.176 64.256 63.100 -0.034 0.000 0.788 194 P CB 0.397 32.065 31.700 -0.053 0.000 0.767 195 E N -0.309 119.810 120.200 -0.136 0.000 2.347 195 E HA -0.123 4.221 4.350 -0.010 0.000 0.196 195 E C 0.779 177.140 176.600 -0.398 0.000 1.008 195 E CA 0.799 57.010 56.400 -0.315 0.000 0.852 195 E CB -0.880 28.513 29.700 -0.511 0.000 0.783 195 E HN 0.316 nan 8.360 nan 0.000 0.505 196 F N 1.954 121.923 119.950 0.031 0.000 2.684 196 F HA 0.238 4.758 4.527 -0.010 0.000 0.298 196 F C 0.447 176.347 175.800 0.168 0.000 1.120 196 F CA -0.327 57.726 58.000 0.088 0.000 1.332 196 F CB 0.332 39.385 39.000 0.087 0.000 0.986 196 F HN -0.299 nan 8.300 nan 0.000 0.524 197 T N 2.795 117.487 114.554 0.230 0.000 2.902 197 T HA 0.277 4.621 4.350 -0.010 0.000 0.301 197 T C -0.202 174.597 174.700 0.164 0.000 1.012 197 T CA 0.364 62.598 62.100 0.224 0.000 1.151 197 T CB 0.535 69.484 68.868 0.135 0.000 0.946 197 T HN -0.148 nan 8.240 nan 0.000 0.542 198 L N 6.022 127.316 121.223 0.118 0.000 2.370 198 L HA 0.571 4.905 4.340 -0.010 0.000 0.266 198 L C -2.183 174.642 176.870 -0.075 0.000 1.002 198 L CA -2.429 52.405 54.840 -0.010 0.000 0.818 198 L CB 1.975 43.960 42.059 -0.123 0.000 1.325 198 L HN 0.384 nan 8.230 nan 0.000 0.418 199 P HA 0.360 nan 4.420 nan 0.000 0.288 199 P C -1.253 175.907 177.300 -0.233 0.000 1.267 199 P CA -0.394 62.618 63.100 -0.145 0.000 0.815 199 P CB 1.926 33.541 31.700 -0.142 0.000 0.989 200 V N 4.138 123.900 119.914 -0.253 0.000 2.604 200 V HA 0.327 4.441 4.120 -0.010 0.000 0.305 200 V C 0.257 176.114 176.094 -0.396 0.000 1.043 200 V CA -0.626 61.513 62.300 -0.268 0.000 0.888 200 V CB 1.461 33.200 31.823 -0.139 0.000 0.995 200 V HN 0.607 nan 8.190 nan 0.000 0.429 201 H N 3.812 122.716 119.070 -0.277 0.000 2.463 201 H HA 0.625 5.175 4.556 -0.011 0.000 0.332 201 H C -1.286 173.734 175.328 -0.514 0.000 1.127 201 H CA -0.151 55.648 56.048 -0.416 0.000 1.238 201 H CB 1.896 31.154 29.762 -0.840 0.000 1.478 201 H HN 0.477 nan 8.280 nan 0.000 0.499 202 F N 0.162 120.157 119.950 0.075 0.000 2.613 202 F HA 0.200 4.721 4.527 -0.011 0.000 0.314 202 F C -0.274 175.631 175.800 0.175 0.000 1.075 202 F CA -0.568 57.481 58.000 0.083 0.000 0.945 202 F CB 1.088 40.049 39.000 -0.064 0.000 1.310 202 F HN 0.544 nan 8.300 nan 0.000 0.467 203 Y N 0.262 120.862 120.300 0.500 0.000 2.904 203 Y HA -0.018 4.526 4.550 -0.010 0.000 0.466 203 Y C 1.369 177.528 175.900 0.431 0.000 1.202 203 Y CA 0.739 59.054 58.100 0.359 0.000 2.492 203 Y CB -1.895 36.707 38.460 0.237 0.000 1.237 203 Y HN 1.302 nan 8.280 nan 0.000 0.633 204 G N 0.648 109.733 108.800 0.475 0.000 2.593 204 G HA2 0.103 4.057 3.960 -0.010 0.000 0.237 204 G HA3 0.103 4.057 3.960 -0.010 0.000 0.237 204 G C -0.544 174.573 174.900 0.362 0.000 1.312 204 G CA 0.946 46.250 45.100 0.339 0.000 0.896 204 G HN 1.365 nan 8.290 nan 0.000 0.574 205 R N -2.600 118.109 120.500 0.348 0.000 2.733 205 R HA 0.702 5.036 4.340 -0.010 0.000 0.272 205 R C -1.383 175.046 176.300 0.215 0.000 1.029 205 R CA -0.978 55.263 56.100 0.234 0.000 0.888 205 R CB 1.266 31.652 30.300 0.142 0.000 1.251 205 R HN 0.891 nan 8.270 nan 0.000 0.464 206 V N 0.818 120.771 119.914 0.064 0.000 2.427 206 V HA 0.356 4.470 4.120 -0.010 0.000 0.286 206 V C -0.198 175.817 176.094 -0.132 0.000 1.034 206 V CA -0.504 61.759 62.300 -0.062 0.000 0.893 206 V CB 1.348 33.056 31.823 -0.191 0.000 0.982 206 V HN 0.692 nan 8.190 nan 0.000 0.452 207 E N 2.857 122.964 120.200 -0.155 0.000 2.158 207 E HA 0.390 4.734 4.350 -0.010 0.000 0.271 207 E C -1.063 175.407 176.600 -0.218 0.000 0.911 207 E CA -0.717 55.612 56.400 -0.119 0.000 0.767 207 E CB 0.906 30.591 29.700 -0.025 0.000 1.120 207 E HN 0.680 nan 8.360 nan 0.000 0.405 208 H N 2.839 121.925 119.070 0.026 0.000 2.641 208 H HA 0.160 4.709 4.556 -0.011 0.000 0.295 208 H C 0.265 175.602 175.328 0.016 0.000 1.070 208 H CA -0.176 55.882 56.048 0.017 0.000 1.257 208 H CB 0.771 30.538 29.762 0.009 0.000 1.393 208 H HN 0.556 nan 8.280 nan 0.000 0.464 209 T N -0.626 113.990 114.554 0.103 0.000 2.893 209 T HA 0.189 4.533 4.350 -0.010 0.000 0.279 209 T C 1.615 176.354 174.700 0.064 0.000 0.991 209 T CA -0.612 61.529 62.100 0.068 0.000 0.950 209 T CB 0.980 69.872 68.868 0.041 0.000 1.223 209 T HN 0.320 nan 8.240 nan 0.000 0.585 210 S N 0.181 115.908 115.700 0.044 0.000 2.368 210 S HA -0.119 4.344 4.470 -0.010 0.000 0.226 210 S C 0.935 175.557 174.600 0.037 0.000 1.044 210 S CA 1.402 59.623 58.200 0.035 0.000 1.062 210 S CB -0.471 62.744 63.200 0.026 0.000 0.931 210 S HN 0.728 nan 8.310 nan 0.000 0.440 211 Q N 0.173 119.995 119.800 0.037 0.000 2.462 211 Q HA 0.551 4.884 4.340 -0.010 0.000 0.247 211 Q C 0.062 176.089 176.000 0.044 0.000 1.044 211 Q CA 0.391 56.216 55.803 0.037 0.000 0.803 211 Q CB 0.755 29.510 28.738 0.029 0.000 1.190 211 Q HN 0.483 nan 8.270 nan 0.000 0.507 212 G N 1.566 110.401 108.800 0.060 0.000 2.814 212 G HA2 0.073 4.027 3.960 -0.010 0.000 0.677 212 G HA3 0.073 4.027 3.960 -0.010 0.000 0.677 212 G C -0.625 174.323 174.900 0.080 0.000 1.429 212 G CA -0.586 44.557 45.100 0.071 0.000 0.868 212 G HN 0.828 nan 8.290 nan 0.000 0.553 213 A N 0.451 123.313 122.820 0.071 0.000 2.286 213 A HA 0.839 5.153 4.320 -0.010 0.000 0.286 213 A C 0.426 177.982 177.584 -0.046 0.000 1.097 213 A CA 0.105 52.122 52.037 -0.034 0.000 0.821 213 A CB 0.882 19.819 19.000 -0.105 0.000 1.076 213 A HN 0.874 nan 8.150 nan 0.000 0.490 214 K N 0.202 120.557 120.400 -0.074 0.000 2.468 214 K HA 0.238 4.551 4.320 -0.010 0.000 0.252 214 K C -1.872 174.768 176.600 0.067 0.000 0.932 214 K CA -0.369 55.918 56.287 0.000 0.000 0.794 214 K CB 2.205 34.706 32.500 0.001 0.000 1.241 214 K HN 0.692 nan 8.250 nan 0.000 0.428 215 W N 5.236 126.460 121.300 -0.127 0.000 2.308 215 W HA 0.365 5.018 4.660 -0.011 0.000 0.311 215 W C -0.707 175.756 176.519 -0.094 0.000 1.088 215 W CA -0.812 56.464 57.345 -0.115 0.000 1.309 215 W CB 0.214 29.593 29.460 -0.135 0.000 1.229 215 W HN 0.362 nan 8.180 nan 0.000 0.427 216 V N 2.617 122.606 119.914 0.124 0.000 3.155 216 V HA 0.599 4.713 4.120 -0.010 0.000 0.313 216 V C 0.064 176.155 176.094 -0.006 0.000 1.162 216 V CA -0.872 61.418 62.300 -0.017 0.000 1.048 216 V CB 1.939 33.773 31.823 0.018 0.000 1.092 216 V HN 0.472 nan 8.190 nan 0.000 0.447 217 D N 0.278 120.671 120.400 -0.012 0.000 2.837 217 D HA -0.146 4.488 4.640 -0.010 0.000 0.230 217 D C 0.586 176.907 176.300 0.035 0.000 1.152 217 D CA 1.480 55.494 54.000 0.023 0.000 0.736 217 D CB -1.407 39.426 40.800 0.055 0.000 1.084 217 D HN 1.262 nan 8.370 nan 0.000 0.429 218 T N -2.703 111.827 114.554 -0.041 0.000 2.874 218 T HA 0.473 4.817 4.350 -0.010 0.000 0.281 218 T C 0.430 175.194 174.700 0.106 0.000 0.994 218 T CA -0.678 61.414 62.100 -0.013 0.000 1.015 218 T CB 2.096 70.778 68.868 -0.310 0.000 1.028 218 T HN 0.020 nan 8.240 nan 0.000 0.523 219 Q N 0.632 120.564 119.800 0.220 0.000 2.241 219 Q HA 0.576 4.910 4.340 -0.010 0.000 0.254 219 Q C -0.938 175.191 176.000 0.216 0.000 0.917 219 Q CA -0.909 55.050 55.803 0.260 0.000 0.919 219 Q CB 1.970 30.948 28.738 0.400 0.000 1.237 219 Q HN 0.509 nan 8.270 nan 0.000 0.434 220 V N 2.883 122.887 119.914 0.150 0.000 2.483 220 V HA 0.453 4.566 4.120 -0.010 0.000 0.295 220 V C -0.336 175.826 176.094 0.113 0.000 1.035 220 V CA -0.637 61.670 62.300 0.012 0.000 0.896 220 V CB 1.805 33.577 31.823 -0.085 0.000 0.986 220 V HN 0.491 nan 8.190 nan 0.000 0.447 221 V N 5.743 125.723 119.914 0.111 0.000 2.638 221 V HA 0.473 4.587 4.120 -0.010 0.000 0.306 221 V C -0.251 175.926 176.094 0.140 0.000 1.052 221 V CA -0.583 61.802 62.300 0.141 0.000 0.885 221 V CB 1.928 33.916 31.823 0.274 0.000 0.999 221 V HN 0.643 nan 8.190 nan 0.000 0.424 222 L N 3.528 124.823 121.223 0.120 0.000 2.375 222 L HA 0.761 5.095 4.340 -0.010 0.000 0.271 222 L C 0.474 177.514 176.870 0.283 0.000 1.107 222 L CA -0.327 54.595 54.840 0.136 0.000 0.806 222 L CB 1.300 43.419 42.059 0.101 0.000 1.146 222 L HN 0.756 nan 8.230 nan 0.000 0.447 223 A N 4.750 127.690 122.820 0.199 0.000 2.285 223 A HA 0.585 4.899 4.320 -0.010 0.000 0.310 223 A C -0.533 177.320 177.584 0.447 0.000 1.266 223 A CA -0.463 51.728 52.037 0.256 0.000 0.832 223 A CB 0.958 19.682 19.000 -0.461 0.000 1.163 223 A HN 0.777 nan 8.150 nan 0.000 0.499 224 M N 6.178 126.096 119.600 0.529 0.000 2.129 224 M HA 0.441 4.915 4.480 -0.010 0.000 0.348 224 M C -2.578 173.993 176.300 0.451 0.000 1.116 224 M CA -2.142 53.417 55.300 0.430 0.000 1.022 224 M CB 2.060 34.844 32.600 0.307 0.000 1.599 224 M HN 0.387 nan 8.290 nan 0.000 0.449 225 P HA 0.245 nan 4.420 nan 0.000 0.286 225 P C -1.949 175.279 177.300 -0.119 0.000 1.261 225 P CA -0.112 62.892 63.100 -0.161 0.000 0.821 225 P CB 0.728 32.076 31.700 -0.588 0.000 1.013 226 Y N 0.538 120.759 120.300 -0.131 0.000 2.338 226 Y HA 0.313 4.857 4.550 -0.011 0.000 0.333 226 Y C 0.144 176.016 175.900 -0.047 0.000 0.968 226 Y CA -0.291 57.794 58.100 -0.026 0.000 1.123 226 Y CB 1.424 39.904 38.460 0.033 0.000 1.165 226 Y HN 0.217 nan 8.280 nan 0.000 0.452 227 D N 1.928 122.409 120.400 0.135 0.000 2.193 227 D HA 0.425 5.059 4.640 -0.010 0.000 0.244 227 D C -0.589 175.920 176.300 0.348 0.000 1.064 227 D CA -0.212 53.905 54.000 0.195 0.000 0.845 227 D CB 1.773 42.701 40.800 0.214 0.000 1.148 227 D HN 0.364 nan 8.370 nan 0.000 0.464 228 T N 3.127 117.802 114.554 0.203 0.000 2.824 228 T HA 0.476 4.819 4.350 -0.010 0.000 0.282 228 T C -2.523 172.034 174.700 -0.238 0.000 0.993 228 T CA -1.444 60.689 62.100 0.054 0.000 0.967 228 T CB 2.092 70.979 68.868 0.032 0.000 0.960 228 T HN 0.184 nan 8.240 nan 0.000 0.441 229 P HA 0.337 nan 4.420 nan 0.000 0.279 229 P C -1.044 175.924 177.300 -0.554 0.000 1.239 229 P CA -0.414 62.021 63.100 -1.109 0.000 0.789 229 P CB 0.931 31.700 31.700 -1.551 0.000 0.933 230 V N 5.155 124.799 119.914 -0.450 0.000 2.305 230 V HA 0.259 4.373 4.120 -0.010 0.000 0.275 230 V C -2.017 173.935 176.094 -0.237 0.000 1.020 230 V CA -1.883 60.249 62.300 -0.280 0.000 0.811 230 V CB 1.380 33.085 31.823 -0.196 0.000 1.031 230 V HN 0.558 nan 8.190 nan 0.000 0.439 231 P HA 0.275 nan 4.420 nan 0.000 0.280 231 P C 0.311 177.555 177.300 -0.093 0.000 1.244 231 P CA 0.283 63.287 63.100 -0.159 0.000 0.784 231 P CB 1.800 33.403 31.700 -0.161 0.000 0.913 232 G N 2.210 110.973 108.800 -0.062 0.000 2.562 232 G HA2 0.158 4.111 3.960 -0.010 0.000 0.275 232 G HA3 0.158 4.111 3.960 -0.010 0.000 0.275 232 G C -1.207 173.703 174.900 0.016 0.000 1.196 232 G CA -0.618 44.476 45.100 -0.010 0.000 0.908 232 G HN 0.522 nan 8.290 nan 0.000 0.524 233 Y N 0.523 120.783 120.300 -0.066 0.000 2.624 233 Y HA 0.274 4.817 4.550 -0.011 0.000 0.354 233 Y C 1.214 177.076 175.900 -0.064 0.000 1.051 233 Y CA -0.223 57.834 58.100 -0.071 0.000 1.377 233 Y CB 0.108 38.525 38.460 -0.072 0.000 1.168 233 Y HN 0.704 nan 8.280 nan 0.000 0.525 234 R N 2.762 122.957 120.500 -0.508 0.000 3.610 234 R HA -0.319 4.015 4.340 -0.010 0.000 0.274 234 R C 0.023 176.189 176.300 -0.223 0.000 1.123 234 R CA 1.480 57.314 56.100 -0.444 0.000 0.747 234 R CB -1.901 27.978 30.300 -0.701 0.000 1.149 234 R HN 0.943 nan 8.270 nan 0.000 0.471 235 N N -1.347 117.273 118.700 -0.134 0.000 2.177 235 N HA 0.068 4.801 4.740 -0.010 0.000 0.218 235 N C -0.229 175.235 175.510 -0.077 0.000 1.182 235 N CA -0.373 52.629 53.050 -0.080 0.000 0.882 235 N CB 0.523 38.989 38.487 -0.035 0.000 1.052 235 N HN 0.086 nan 8.380 nan 0.000 0.519 236 N N -0.109 118.539 118.700 -0.086 0.000 2.753 236 N HA -0.132 4.602 4.740 -0.010 0.000 0.251 236 N C -0.973 174.493 175.510 -0.073 0.000 1.097 236 N CA 0.570 53.575 53.050 -0.074 0.000 0.786 236 N CB -1.246 37.199 38.487 -0.070 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.099 120.973 119.914 -0.066 0.000 2.481 237 V HA 0.484 4.598 4.120 -0.010 0.000 0.286 237 V C 0.557 176.615 176.094 -0.060 0.000 1.042 237 V CA -0.505 61.761 62.300 -0.058 0.000 0.928 237 V CB 2.220 34.033 31.823 -0.017 0.000 0.986 237 V HN -0.040 nan 8.190 nan 0.000 0.462 238 V N 5.199 125.081 119.914 -0.055 0.000 2.462 238 V HA 0.435 4.548 4.120 -0.010 0.000 0.288 238 V C -0.164 175.906 176.094 -0.039 0.000 1.020 238 V CA -0.869 61.369 62.300 -0.103 0.000 0.857 238 V CB 1.457 33.197 31.823 -0.139 0.000 1.013 238 V HN 0.841 nan 8.190 nan 0.000 0.431 239 N N 1.911 120.563 118.700 -0.080 0.000 2.476 239 N HA 0.578 5.312 4.740 -0.010 0.000 0.287 239 N C -0.033 175.448 175.510 -0.047 0.000 1.262 239 N CA -0.294 52.731 53.050 -0.042 0.000 0.980 239 N CB 1.192 39.616 38.487 -0.105 0.000 1.163 239 N HN 0.583 nan 8.380 nan 0.000 0.592 240 T N 0.712 115.243 114.554 -0.039 0.000 2.841 240 T HA 0.433 4.777 4.350 -0.010 0.000 0.283 240 T C -0.306 174.346 174.700 -0.080 0.000 1.000 240 T CA -0.522 61.618 62.100 0.068 0.000 0.977 240 T CB 1.158 70.181 68.868 0.259 0.000 0.979 240 T HN 0.320 nan 8.240 nan 0.000 0.446 241 M N 3.670 123.195 119.600 -0.125 0.000 2.114 241 M HA 0.517 4.991 4.480 -0.010 0.000 0.332 241 M C -0.615 175.527 176.300 -0.263 0.000 1.014 241 M CA -0.748 54.388 55.300 -0.275 0.000 0.956 241 M CB 0.837 33.228 32.600 -0.348 0.000 1.551 241 M HN 0.489 nan 8.290 nan 0.000 0.427 242 R N 5.827 126.067 120.500 -0.434 0.000 2.295 242 R HA 0.633 4.967 4.340 -0.010 0.000 0.324 242 R C -1.930 174.097 176.300 -0.456 0.000 0.968 242 R CA -0.431 55.377 56.100 -0.488 0.000 0.837 242 R CB 0.916 30.764 30.300 -0.753 0.000 1.133 242 R HN 0.821 nan 8.270 nan 0.000 0.450 243 L N 5.187 126.236 121.223 -0.290 0.000 2.313 243 L HA 0.491 4.825 4.340 -0.010 0.000 0.283 243 L C -0.809 176.004 176.870 -0.096 0.000 1.013 243 L CA -0.928 53.835 54.840 -0.129 0.000 0.816 243 L CB 1.423 43.494 42.059 0.021 0.000 1.236 243 L HN 0.592 nan 8.230 nan 0.000 0.419 244 W N 1.857 123.272 121.300 0.191 0.000 2.316 244 W HA 0.481 5.134 4.660 -0.010 0.000 0.321 244 W C 0.574 177.304 176.519 0.352 0.000 1.203 244 W CA -0.183 57.293 57.345 0.217 0.000 1.214 244 W CB 1.356 30.799 29.460 -0.028 0.000 1.169 244 W HN 0.343 nan 8.180 nan 0.000 0.561 245 S N 1.691 117.791 115.700 0.666 0.000 2.500 245 S HA 0.771 5.234 4.470 -0.010 0.000 0.301 245 S C -0.517 174.426 174.600 0.571 0.000 1.092 245 S CA -0.735 57.764 58.200 0.497 0.000 1.030 245 S CB 0.646 64.066 63.200 0.367 0.000 1.031 245 S HN 0.551 nan 8.310 nan 0.000 0.483 246 A N 4.743 127.752 122.820 0.314 0.000 2.366 246 A HA 0.668 4.982 4.320 -0.010 0.000 0.272 246 A C -0.137 177.513 177.584 0.111 0.000 1.135 246 A CA -0.254 51.865 52.037 0.137 0.000 0.804 246 A CB 0.354 19.156 19.000 -0.330 0.000 1.064 246 A HN 0.647 nan 8.150 nan 0.000 0.499 247 K N 1.020 121.490 120.400 0.118 0.000 2.468 247 K HA 0.608 4.922 4.320 -0.010 0.000 0.252 247 K C -0.520 176.059 176.600 -0.035 0.000 0.932 247 K CA -0.387 55.931 56.287 0.052 0.000 0.794 247 K CB 2.204 34.770 32.500 0.109 0.000 1.241 247 K HN 0.848 nan 8.250 nan 0.000 0.428 248 A N 4.261 126.999 122.820 -0.137 0.000 2.340 248 A HA 0.505 4.819 4.320 -0.010 0.000 0.268 248 A C -2.130 175.400 177.584 -0.091 0.000 1.100 248 A CA -1.099 50.764 52.037 -0.289 0.000 0.803 248 A CB -0.186 18.473 19.000 -0.567 0.000 1.043 248 A HN 0.372 nan 8.150 nan 0.000 0.488 249 P HA 0.105 nan 4.420 nan 0.000 0.274 249 P C -0.007 177.369 177.300 0.127 0.000 1.231 249 P CA -0.437 62.712 63.100 0.082 0.000 0.790 249 P CB 0.645 32.420 31.700 0.124 0.000 0.951 250 N N 1.158 119.919 118.700 0.101 0.000 2.453 250 N HA -0.114 4.620 4.740 -0.010 0.000 0.183 250 N C 0.869 176.456 175.510 0.129 0.000 1.041 250 N CA 1.070 54.184 53.050 0.107 0.000 0.900 250 N CB -0.302 38.232 38.487 0.078 0.000 0.961 250 N HN 0.594 nan 8.380 nan 0.000 0.443 251 D N -0.748 119.732 120.400 0.133 0.000 2.342 251 D HA -0.071 4.563 4.640 -0.010 0.000 0.221 251 D C 0.156 176.535 176.300 0.132 0.000 1.101 251 D CA -0.566 53.501 54.000 0.112 0.000 0.837 251 D CB -0.768 40.079 40.800 0.080 0.000 0.938 251 D HN -0.011 nan 8.370 nan 0.000 0.508 252 F N 2.188 122.153 119.950 0.026 0.000 2.602 252 F HA 0.058 4.579 4.527 -0.010 0.000 0.385 252 F C 0.887 176.695 175.800 0.012 0.000 1.063 252 F CA 0.275 58.287 58.000 0.020 0.000 1.233 252 F CB 0.031 39.042 39.000 0.019 0.000 1.067 252 F HN -0.133 nan 8.300 nan 0.000 0.564 253 N N 2.155 120.485 118.700 -0.616 0.000 2.815 253 N HA -0.279 4.455 4.740 -0.010 0.000 0.247 253 N C -0.803 174.612 175.510 -0.159 0.000 1.030 253 N CA 1.509 54.296 53.050 -0.439 0.000 0.881 253 N CB -1.125 37.110 38.487 -0.420 0.000 1.134 253 N HN 0.511 nan 8.380 nan 0.000 0.582 262 Y N 0.623 120.925 120.300 0.003 0.000 2.097 262 Y HA -0.099 4.444 4.550 -0.010 0.000 0.282 262 Y C 2.587 178.497 175.900 0.016 0.000 1.152 262 Y CA 2.215 60.320 58.100 0.008 0.000 1.136 262 Y CB -0.045 38.420 38.460 0.009 0.000 0.975 262 Y HN 0.311 nan 8.280 nan 0.000 0.498 263 I N 0.580 121.081 120.570 -0.114 0.000 2.118 263 I HA -0.339 3.824 4.170 -0.010 0.000 0.241 263 I C 2.420 178.432 176.117 -0.174 0.000 1.070 263 I CA 1.625 62.807 61.300 -0.196 0.000 1.327 263 I CB -1.452 36.542 38.000 -0.009 0.000 1.034 263 I HN 0.390 nan 8.210 nan 0.000 0.405 264 Q N 0.404 120.152 119.800 -0.085 0.000 2.135 264 Q HA -0.150 4.184 4.340 -0.010 0.000 0.204 264 Q C 2.364 178.324 176.000 -0.068 0.000 0.981 264 Q CA 1.912 57.681 55.803 -0.056 0.000 0.856 264 Q CB -0.319 28.402 28.738 -0.027 0.000 0.902 264 Q HN 0.571 nan 8.270 nan 0.000 0.425 265 A N -0.092 122.669 122.820 -0.099 0.000 1.902 265 A HA -0.130 4.183 4.320 -0.010 0.000 0.217 265 A C 2.398 179.946 177.584 -0.061 0.000 1.181 265 A CA 1.589 53.577 52.037 -0.082 0.000 0.623 265 A CB -0.611 18.338 19.000 -0.085 0.000 0.818 265 A HN 0.226 nan 8.150 nan 0.000 0.443 266 V N 0.178 119.981 119.914 -0.185 0.000 2.358 266 V HA -0.228 3.886 4.120 -0.010 0.000 0.246 266 V C 2.514 178.581 176.094 -0.045 0.000 1.047 266 V CA 1.847 64.061 62.300 -0.144 0.000 1.035 266 V CB -0.743 30.899 31.823 -0.302 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.223 120.967 121.223 -0.055 0.000 2.201 267 L HA -0.139 4.195 4.340 -0.010 0.000 0.212 267 L C 1.952 178.840 176.870 0.030 0.000 1.105 267 L CA 1.162 55.994 54.840 -0.013 0.000 0.775 267 L CB -0.654 41.393 42.059 -0.020 0.000 0.913 267 L HN 0.329 nan 8.230 nan 0.000 0.440 268 D N 0.023 120.461 120.400 0.062 0.000 2.378 268 D HA -0.066 4.568 4.640 -0.010 0.000 0.227 268 D C 2.103 178.553 176.300 0.251 0.000 1.012 268 D CA 0.428 54.508 54.000 0.133 0.000 0.905 268 D CB 0.021 40.892 40.800 0.119 0.000 0.895 268 D HN 0.234 nan 8.370 nan 0.000 0.532 269 R N 0.255 120.864 120.500 0.182 0.000 2.152 269 R HA -0.046 4.287 4.340 -0.010 0.000 0.232 269 R C 1.729 177.981 176.300 -0.079 0.000 1.117 269 R CA 0.810 56.926 56.100 0.026 0.000 0.981 269 R CB -0.206 30.093 30.300 -0.003 0.000 0.870 269 R HN 0.338 nan 8.270 nan 0.000 0.451 270 N N 0.350 119.049 118.700 -0.001 0.000 2.137 270 N HA -0.201 4.533 4.740 -0.010 0.000 0.190 270 N C 1.310 176.810 175.510 -0.016 0.000 1.017 270 N CA 0.820 53.865 53.050 -0.008 0.000 0.859 270 N CB -0.123 38.374 38.487 0.017 0.000 1.002 270 N HN 0.003 nan 8.380 nan 0.000 0.428 271 L N 1.344 122.579 121.223 0.020 0.000 1.978 271 L HA -0.237 4.097 4.340 -0.010 0.000 0.218 271 L C 2.511 179.357 176.870 -0.041 0.000 1.075 271 L CA 1.832 56.689 54.840 0.029 0.000 0.767 271 L CB -1.124 41.005 42.059 0.118 0.000 0.890 271 L HN 0.171 nan 8.230 nan 0.000 0.434 272 A N -0.995 121.745 122.820 -0.134 0.000 1.933 272 A HA -0.199 4.115 4.320 -0.010 0.000 0.218 272 A C 2.107 179.568 177.584 -0.205 0.000 1.175 272 A CA 1.655 53.554 52.037 -0.231 0.000 0.628 272 A CB -0.552 18.131 19.000 -0.530 0.000 0.814 272 A HN 0.587 nan 8.150 nan 0.000 0.444 273 E N 0.000 120.097 120.200 -0.171 0.000 2.427 273 E HA -0.078 4.265 4.350 -0.010 0.000 0.196 273 E C 0.933 177.493 176.600 -0.066 0.000 1.028 273 E CA 0.231 56.564 56.400 -0.111 0.000 0.864 273 E CB -0.177 29.482 29.700 -0.069 0.000 0.813 273 E HN 0.469 nan 8.360 nan 0.000 0.514 274 N N 1.087 119.755 118.700 -0.053 0.000 2.453 274 N HA -0.073 4.661 4.740 -0.010 0.000 0.183 274 N C 1.617 177.124 175.510 -0.006 0.000 1.041 274 N CA 0.553 53.601 53.050 -0.002 0.000 0.900 274 N CB -0.024 38.466 38.487 0.005 0.000 0.961 274 N HN 0.279 nan 8.380 nan 0.000 0.443 275 I N 0.350 120.857 120.570 -0.106 0.000 2.208 275 I HA -0.246 3.918 4.170 -0.010 0.000 0.245 275 I C 1.426 177.513 176.117 -0.051 0.000 1.097 275 I CA 1.250 62.457 61.300 -0.154 0.000 1.363 275 I CB -0.199 37.531 38.000 -0.450 0.000 1.051 275 I HN 0.131 nan 8.210 nan 0.000 0.413 276 S N -0.509 115.161 115.700 -0.051 0.000 2.583 276 S HA 0.182 4.646 4.470 -0.010 0.000 0.239 276 S C 1.459 176.201 174.600 0.237 0.000 0.966 276 S CA -0.548 57.716 58.200 0.106 0.000 0.973 276 S CB 0.270 63.522 63.200 0.085 0.000 0.794 276 S HN 0.206 nan 8.310 nan 0.000 0.463 277 R N 1.250 121.887 120.500 0.228 0.000 2.062 277 R HA 0.279 4.612 4.340 -0.010 0.000 0.229 277 R C 0.418 176.970 176.300 0.421 0.000 1.128 277 R CA 1.173 57.450 56.100 0.296 0.000 0.960 277 R CB -0.208 30.223 30.300 0.217 0.000 0.855 277 R HN 0.403 nan 8.270 nan 0.000 0.432 278 V N 0.242 120.356 119.914 0.333 0.000 2.932 278 V HA 0.363 4.477 4.120 -0.010 0.000 0.307 278 V C -1.624 174.431 176.094 -0.065 0.000 1.147 278 V CA -1.386 61.035 62.300 0.201 0.000 0.951 278 V CB 1.781 33.645 31.823 0.068 0.000 1.031 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 6.468 127.433 121.223 -0.430 0.000 2.367 279 L HA 0.485 4.819 4.340 -0.010 0.000 0.275 279 L C -0.894 175.813 176.870 -0.271 0.000 1.129 279 L CA 0.435 54.810 54.840 -0.775 0.000 0.839 279 L CB 0.539 42.074 42.059 -0.874 0.000 1.133 279 L HN 0.686 nan 8.230 nan 0.000 0.453 280 Y N 6.853 127.056 120.300 -0.162 0.000 2.496 280 Y HA 0.210 4.754 4.550 -0.011 0.000 0.334 280 Y C -1.320 174.572 175.900 -0.014 0.000 1.080 280 Y CA -1.309 56.775 58.100 -0.026 0.000 1.355 280 Y CB 0.416 38.888 38.460 0.020 0.000 1.193 280 Y HN 0.580 nan 8.280 nan 0.000 0.523 281 P HA -0.037 nan 4.420 nan 0.000 0.256 281 P C -0.770 176.660 177.300 0.217 0.000 1.335 281 P CA 0.301 63.502 63.100 0.169 0.000 0.808 281 P CB 0.164 32.047 31.700 0.305 0.000 1.305 282 N N 1.449 120.292 118.700 0.238 0.000 2.472 282 N HA 0.143 4.877 4.740 -0.010 0.000 0.277 282 N C -0.615 175.043 175.510 0.248 0.000 1.081 282 N CA 0.186 53.401 53.050 0.275 0.000 0.973 282 N CB 1.026 39.722 38.487 0.347 0.000 1.105 282 N HN 0.068 nan 8.380 nan 0.000 0.470 283 D N 0.856 121.424 120.400 0.279 0.000 2.344 283 D HA 0.211 4.845 4.640 -0.010 0.000 0.239 283 D C -0.266 176.237 176.300 0.338 0.000 1.064 283 D CA -0.371 53.790 54.000 0.267 0.000 0.829 283 D CB 0.321 41.275 40.800 0.257 0.000 1.129 283 D HN 0.329 nan 8.370 nan 0.000 0.506 284 N N 2.851 121.718 118.700 0.278 0.000 2.727 284 N HA -0.259 4.475 4.740 -0.010 0.000 0.249 284 N C -1.221 174.515 175.510 0.377 0.000 1.048 284 N CA 0.716 53.922 53.050 0.261 0.000 0.714 284 N CB -0.887 37.718 38.487 0.196 0.000 0.959 284 N HN 0.356 nan 8.380 nan 0.000 0.544 285 F N 0.504 120.554 119.950 0.166 0.000 2.604 285 F HA 0.442 4.963 4.527 -0.011 0.000 0.316 285 F C -1.257 174.632 175.800 0.147 0.000 1.136 285 F CA -1.173 56.907 58.000 0.132 0.000 0.989 285 F CB 0.971 40.011 39.000 0.068 0.000 1.258 285 F HN -0.019 nan 8.300 nan 0.000 0.451 286 F N 5.868 125.377 119.950 -0.734 0.000 2.411 286 F HA 0.477 4.997 4.527 -0.011 0.000 0.350 286 F C -0.461 174.869 175.800 -0.784 0.000 1.114 286 F CA -0.160 57.473 58.000 -0.612 0.000 1.135 286 F CB 0.763 39.461 39.000 -0.502 0.000 1.120 286 F HN 0.604 nan 8.300 nan 0.000 0.495 287 E N 4.430 123.986 120.200 -1.074 0.000 2.235 287 E HA 0.295 4.638 4.350 -0.010 0.000 0.252 287 E C -0.256 175.622 176.600 -1.203 0.000 0.886 287 E CA -0.752 55.118 56.400 -0.883 0.000 0.767 287 E CB 1.267 30.827 29.700 -0.232 0.000 1.205 287 E HN 0.911 nan 8.360 nan 0.000 0.421 288 G N 5.296 113.253 108.800 -1.405 0.000 3.102 288 G HA2 0.027 3.980 3.960 -0.010 0.000 0.264 288 G HA3 0.027 3.980 3.960 -0.010 0.000 0.264 288 G C -0.067 174.742 174.900 -0.153 0.000 0.788 288 G CA -0.185 44.318 45.100 -0.996 0.000 2.029 288 G HN 0.197 nan 8.290 nan 0.000 0.608 289 K N 0.579 120.966 120.400 -0.023 0.000 2.130 289 K HA 0.185 4.499 4.320 -0.010 0.000 0.268 289 K C 0.978 177.722 176.600 0.239 0.000 0.983 289 K CA -0.661 55.704 56.287 0.129 0.000 0.893 289 K CB 2.255 34.834 32.500 0.131 0.000 1.066 289 K HN 0.464 nan 8.250 nan 0.000 0.450 290 E N 1.723 122.035 120.200 0.186 0.000 2.097 290 E HA -0.227 4.116 4.350 -0.010 0.000 0.196 290 E C 1.519 178.155 176.600 0.060 0.000 1.000 290 E CA 1.124 57.588 56.400 0.107 0.000 0.804 290 E CB 0.147 29.909 29.700 0.104 0.000 0.740 290 E HN 0.400 nan 8.360 nan 0.000 0.454 291 L N 1.280 122.577 121.223 0.124 0.000 2.079 291 L HA -0.186 4.147 4.340 -0.010 0.000 0.210 291 L C 2.448 179.405 176.870 0.144 0.000 1.081 291 L CA 1.843 56.771 54.840 0.147 0.000 0.752 291 L CB -0.515 41.706 42.059 0.269 0.000 0.896 291 L HN 0.024 nan 8.230 nan 0.000 0.433 292 R N -0.694 119.828 120.500 0.038 0.000 2.092 292 R HA -0.147 4.186 4.340 -0.010 0.000 0.231 292 R C 2.097 178.425 176.300 0.046 0.000 1.119 292 R CA 1.762 57.801 56.100 -0.102 0.000 0.970 292 R CB -0.980 29.066 30.300 -0.424 0.000 0.864 292 R HN 0.400 nan 8.270 nan 0.000 0.440 293 L N 0.896 122.069 121.223 -0.082 0.000 2.083 293 L HA -0.065 4.269 4.340 -0.010 0.000 0.209 293 L C 1.653 178.454 176.870 -0.115 0.000 1.083 293 L CA 1.894 56.470 54.840 -0.441 0.000 0.752 293 L CB -0.403 41.113 42.059 -0.906 0.000 0.899 293 L HN 0.155 nan 8.230 nan 0.000 0.433 294 K N -0.965 119.422 120.400 -0.023 0.000 2.057 294 K HA -0.182 4.131 4.320 -0.010 0.000 0.207 294 K C 2.060 178.815 176.600 0.258 0.000 1.049 294 K CA 1.724 58.071 56.287 0.100 0.000 0.931 294 K CB -0.174 32.215 32.500 -0.184 0.000 0.714 294 K HN 0.524 nan 8.250 nan 0.000 0.440 295 Q N 0.695 120.613 119.800 0.197 0.000 2.084 295 Q HA -0.184 4.149 4.340 -0.010 0.000 0.202 295 Q C 1.941 178.133 176.000 0.320 0.000 0.978 295 Q CA 1.396 57.372 55.803 0.288 0.000 0.844 295 Q CB -0.050 28.879 28.738 0.318 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.107 120.233 120.200 0.234 0.000 2.077 296 E HA -0.214 4.130 4.350 -0.010 0.000 0.193 296 E C 1.718 178.428 176.600 0.183 0.000 0.989 296 E CA 1.072 57.594 56.400 0.202 0.000 0.800 296 E CB -0.121 29.674 29.700 0.158 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.221 120.565 120.300 0.074 0.000 2.286 297 Y HA -0.170 4.374 4.550 -0.010 0.000 0.293 297 Y C 1.927 177.862 175.900 0.058 0.000 1.124 297 Y CA 0.841 58.940 58.100 -0.002 0.000 1.178 297 Y CB -0.307 38.116 38.460 -0.062 0.000 1.010 297 Y HN 0.004 nan 8.280 nan 0.000 0.536 298 F N -0.271 119.671 119.950 -0.013 0.000 2.065 298 F HA -0.245 4.276 4.527 -0.011 0.000 0.298 298 F C 2.472 178.123 175.800 -0.248 0.000 1.112 298 F CA 2.012 59.958 58.000 -0.090 0.000 1.212 298 F CB -1.067 38.027 39.000 0.157 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.502 119.374 119.914 -0.063 0.000 2.427 299 V HA -0.199 3.914 4.120 -0.010 0.000 0.248 299 V C 2.194 178.131 176.094 -0.262 0.000 1.051 299 V CA 1.917 64.138 62.300 -0.132 0.000 1.048 299 V CB -0.365 31.573 31.823 0.192 0.000 0.666 299 V HN 0.255 nan 8.190 nan 0.000 0.456 300 V N 0.403 120.172 119.914 -0.242 0.000 2.307 300 V HA -0.166 3.948 4.120 -0.010 0.000 0.245 300 V C 2.795 178.624 176.094 -0.441 0.000 1.045 300 V CA 2.070 64.212 62.300 -0.265 0.000 1.024 300 V CB -1.042 30.686 31.823 -0.159 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.123 122.266 122.820 -0.719 0.000 1.877 301 A HA -0.093 4.221 4.320 -0.010 0.000 0.216 301 A C 2.399 179.606 177.584 -0.628 0.000 1.186 301 A CA 2.084 53.692 52.037 -0.715 0.000 0.620 301 A CB -0.790 17.574 19.000 -1.059 0.000 0.822 301 A HN 0.555 nan 8.150 nan 0.000 0.443 302 A N -1.103 121.180 122.820 -0.895 0.000 1.898 302 A HA -0.047 4.267 4.320 -0.010 0.000 0.216 302 A C 2.308 179.371 177.584 -0.868 0.000 1.181 302 A CA 2.224 53.543 52.037 -1.197 0.000 0.620 302 A CB -1.251 16.372 19.000 -2.295 0.000 0.819 302 A HN 0.422 nan 8.150 nan 0.000 0.442 303 T N 0.554 114.729 114.554 -0.632 0.000 2.708 303 T HA -0.103 4.241 4.350 -0.010 0.000 0.266 303 T C 1.820 176.236 174.700 -0.473 0.000 1.037 303 T CA 1.483 63.318 62.100 -0.441 0.000 1.146 303 T CB -0.394 68.211 68.868 -0.438 0.000 0.865 303 T HN 0.343 nan 8.240 nan 0.000 0.435 304 L N 0.736 121.735 121.223 -0.373 0.000 2.083 304 L HA -0.156 4.178 4.340 -0.010 0.000 0.209 304 L C 2.903 179.657 176.870 -0.193 0.000 1.083 304 L CA 1.369 56.047 54.840 -0.269 0.000 0.752 304 L CB -0.539 41.401 42.059 -0.197 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.627 119.057 119.800 -0.194 0.000 2.124 305 Q HA -0.237 4.097 4.340 -0.010 0.000 0.202 305 Q C 1.723 177.699 176.000 -0.040 0.000 0.977 305 Q CA 1.568 57.312 55.803 -0.099 0.000 0.850 305 Q CB -0.114 28.555 28.738 -0.116 0.000 0.901 305 Q HN 0.396 nan 8.270 nan 0.000 0.429 306 D N 0.685 121.048 120.400 -0.063 0.000 2.117 306 D HA -0.091 4.543 4.640 -0.010 0.000 0.198 306 D C 1.683 177.941 176.300 -0.071 0.000 0.982 306 D CA 0.840 54.855 54.000 0.025 0.000 0.828 306 D CB -0.007 40.897 40.800 0.174 0.000 0.967 306 D HN 0.160 nan 8.370 nan 0.000 0.464 307 I N 0.217 120.635 120.570 -0.252 0.000 2.179 307 I HA -0.235 3.929 4.170 -0.010 0.000 0.242 307 I C 2.302 178.444 176.117 0.041 0.000 1.088 307 I CA 0.758 61.858 61.300 -0.334 0.000 1.357 307 I CB -0.144 37.506 38.000 -0.583 0.000 1.051 307 I HN 0.045 nan 8.210 nan 0.000 0.409 308 I N 0.273 120.921 120.570 0.130 0.000 2.315 308 I HA -0.281 3.883 4.170 -0.010 0.000 0.248 308 I C 2.778 179.073 176.117 0.297 0.000 1.117 308 I CA 1.069 62.564 61.300 0.325 0.000 1.404 308 I CB -0.468 37.669 38.000 0.229 0.000 1.071 308 I HN 0.234 nan 8.210 nan 0.000 0.419 309 R N 1.485 122.088 120.500 0.173 0.000 2.080 309 R HA -0.225 4.109 4.340 -0.010 0.000 0.236 309 R C 2.504 178.897 176.300 0.155 0.000 1.137 309 R CA 1.823 58.015 56.100 0.152 0.000 0.943 309 R CB -0.313 30.068 30.300 0.134 0.000 0.846 309 R HN 0.192 nan 8.270 nan 0.000 0.431 310 R N -0.601 119.987 120.500 0.146 0.000 2.120 310 R HA -0.171 4.162 4.340 -0.010 0.000 0.234 310 R C 2.174 178.584 176.300 0.183 0.000 1.123 310 R CA 1.678 57.865 56.100 0.146 0.000 0.975 310 R CB -0.374 29.995 30.300 0.115 0.000 0.866 310 R HN 0.310 nan 8.270 nan 0.000 0.446 311 F N 1.403 121.406 119.950 0.088 0.000 2.146 311 F HA -0.101 4.420 4.527 -0.011 0.000 0.298 311 F C 1.648 177.476 175.800 0.046 0.000 1.096 311 F CA 1.540 59.587 58.000 0.078 0.000 1.275 311 F CB -0.004 39.103 39.000 0.178 0.000 1.008 311 F HN -0.138 nan 8.300 nan 0.000 0.480 312 K N -0.375 119.981 120.400 -0.074 0.000 2.211 312 K HA -0.019 4.295 4.320 -0.010 0.000 0.203 312 K C 1.492 178.004 176.600 -0.148 0.000 1.050 312 K CA 1.180 57.341 56.287 -0.210 0.000 0.945 312 K CB -0.247 32.248 32.500 -0.008 0.000 0.732 312 K HN 0.108 nan 8.250 nan 0.000 0.451 313 S N 1.218 116.900 115.700 -0.030 0.000 2.763 313 S HA 0.111 4.574 4.470 -0.010 0.000 0.237 313 S C 0.101 174.735 174.600 0.056 0.000 0.966 313 S CA -0.258 57.969 58.200 0.045 0.000 1.017 313 S CB 0.175 63.447 63.200 0.120 0.000 0.780 313 S HN 0.116 nan 8.310 nan 0.000 0.476 325 N N 0.949 119.572 118.700 -0.129 0.000 3.083 325 N HA 0.272 5.006 4.740 -0.010 0.000 0.260 325 N C -0.063 175.515 175.510 0.114 0.000 1.163 325 N CA -0.162 52.901 53.050 0.023 0.000 1.060 325 N CB -0.013 38.493 38.487 0.031 0.000 1.345 325 N HN 0.082 nan 8.380 nan 0.000 0.515 326 F N 0.932 121.013 119.950 0.220 0.000 2.699 326 F HA 0.001 4.522 4.527 -0.011 0.000 0.298 326 F C 1.392 177.262 175.800 0.116 0.000 1.154 326 F CA 0.421 58.508 58.000 0.146 0.000 1.457 326 F CB 0.151 39.123 39.000 -0.046 0.000 1.106 326 F HN 0.429 nan 8.300 nan 0.000 0.585 327 D N 0.114 120.661 120.400 0.244 0.000 2.178 327 D HA -0.121 4.513 4.640 -0.010 0.000 0.202 327 D C 2.138 178.534 176.300 0.160 0.000 0.974 327 D CA 1.231 55.330 54.000 0.164 0.000 0.841 327 D CB -0.148 40.723 40.800 0.118 0.000 0.953 327 D HN 0.220 nan 8.370 nan 0.000 0.478 328 A N -0.752 122.189 122.820 0.202 0.000 2.275 328 A HA 0.116 4.430 4.320 -0.010 0.000 0.212 328 A C 1.516 179.224 177.584 0.206 0.000 1.201 328 A CA -0.313 51.838 52.037 0.191 0.000 0.843 328 A CB -0.784 18.332 19.000 0.194 0.000 0.873 328 A HN 0.220 nan 8.150 nan 0.000 0.492 329 F N 1.851 121.783 119.950 -0.032 0.000 2.095 329 F HA -0.116 4.405 4.527 -0.010 0.000 0.298 329 F C -0.820 174.881 175.800 -0.165 0.000 1.104 329 F CA 2.335 60.115 58.000 -0.367 0.000 1.232 329 F CB -0.525 38.255 39.000 -0.367 0.000 0.987 329 F HN 0.199 nan 8.300 nan 0.000 0.475 330 P HA -0.103 nan 4.420 nan 0.000 0.226 330 P C 0.697 177.957 177.300 -0.065 0.000 1.153 330 P CA 1.475 64.552 63.100 -0.038 0.000 0.777 330 P CB -0.045 31.659 31.700 0.006 0.000 0.794 331 D N -0.986 119.396 120.400 -0.030 0.000 2.323 331 D HA -0.011 4.622 4.640 -0.010 0.000 0.209 331 D C 1.434 177.722 176.300 -0.020 0.000 0.973 331 D CA 0.861 54.856 54.000 -0.009 0.000 0.874 331 D CB 0.165 40.981 40.800 0.027 0.000 0.930 331 D HN 0.148 nan 8.370 nan 0.000 0.521 332 K N 0.157 120.524 120.400 -0.055 0.000 2.402 332 K HA 0.218 4.532 4.320 -0.010 0.000 0.203 332 K C -0.051 176.463 176.600 -0.144 0.000 1.077 332 K CA 0.035 56.301 56.287 -0.035 0.000 1.051 332 K CB 2.385 34.971 32.500 0.143 0.000 0.907 332 K HN -0.063 nan 8.250 nan 0.000 0.554 333 V N 0.776 120.513 119.914 -0.295 0.000 2.760 333 V HA 0.657 4.770 4.120 -0.010 0.000 0.309 333 V C -1.204 174.795 176.094 -0.158 0.000 1.077 333 V CA -1.282 60.839 62.300 -0.298 0.000 0.910 333 V CB 1.952 33.296 31.823 -0.798 0.000 1.008 333 V HN 0.105 nan 8.190 nan 0.000 0.424 334 A N 5.364 128.148 122.820 -0.059 0.000 2.359 334 A HA 0.918 5.232 4.320 -0.010 0.000 0.303 334 A C -1.088 176.523 177.584 0.044 0.000 1.066 334 A CA -0.422 51.614 52.037 -0.002 0.000 0.730 334 A CB 1.073 20.021 19.000 -0.087 0.000 1.211 334 A HN 0.759 nan 8.150 nan 0.000 0.439 335 I N 1.950 122.595 120.570 0.126 0.000 2.382 335 I HA 0.306 4.469 4.170 -0.010 0.000 0.286 335 I C -0.335 175.881 176.117 0.165 0.000 1.002 335 I CA -0.561 60.826 61.300 0.146 0.000 1.135 335 I CB 1.948 40.018 38.000 0.115 0.000 1.288 335 I HN 0.706 nan 8.210 nan 0.000 0.448 336 Q N 6.922 126.820 119.800 0.164 0.000 2.314 336 Q HA 0.499 4.833 4.340 -0.010 0.000 0.259 336 Q C -1.341 174.673 176.000 0.022 0.000 0.951 336 Q CA -0.256 55.673 55.803 0.211 0.000 0.909 336 Q CB 1.288 30.272 28.738 0.410 0.000 1.236 336 Q HN 0.573 nan 8.270 nan 0.000 0.444 337 L N 3.813 125.084 121.223 0.080 0.000 2.260 337 L HA 0.393 4.727 4.340 -0.010 0.000 0.289 337 L C 0.045 176.945 176.870 0.051 0.000 1.057 337 L CA -0.738 54.138 54.840 0.060 0.000 0.811 337 L CB 0.668 42.816 42.059 0.149 0.000 1.184 337 L HN 0.583 nan 8.230 nan 0.000 0.429 338 N N 4.668 123.318 118.700 -0.083 0.000 2.482 338 N HA 0.079 4.813 4.740 -0.010 0.000 0.242 338 N C -0.171 175.373 175.510 0.057 0.000 1.100 338 N CA 0.468 53.523 53.050 0.009 0.000 0.946 338 N CB 0.020 38.424 38.487 -0.139 0.000 1.227 338 N HN 0.660 nan 8.380 nan 0.000 0.508 339 D N 0.002 120.525 120.400 0.205 0.000 4.199 339 D HA -0.224 4.409 4.640 -0.010 0.000 0.291 339 D C 0.208 176.632 176.300 0.207 0.000 2.213 339 D CA 1.439 55.548 54.000 0.182 0.000 1.174 339 D CB -0.545 40.096 40.800 -0.265 0.000 1.012 339 D HN 0.517 nan 8.370 nan 0.000 1.213 340 T N -2.423 112.191 114.554 0.101 0.000 3.129 340 T HA 0.092 4.436 4.350 -0.010 0.000 0.251 340 T C 1.633 176.426 174.700 0.154 0.000 1.117 340 T CA 1.425 63.567 62.100 0.071 0.000 1.034 340 T CB -0.482 68.395 68.868 0.014 0.000 0.968 340 T HN 0.491 nan 8.240 nan 0.000 0.526 341 H N 2.658 121.820 119.070 0.154 0.000 2.357 341 H HA -0.028 4.521 4.556 -0.010 0.000 0.296 341 H C -0.765 174.651 175.328 0.146 0.000 1.108 341 H CA 1.200 57.350 56.048 0.169 0.000 1.273 341 H CB -0.765 29.096 29.762 0.165 0.000 1.367 341 H HN 0.453 nan 8.280 nan 0.000 0.498 342 P HA 0.090 nan 4.420 nan 0.000 0.266 342 P C 0.746 178.092 177.300 0.077 0.000 1.561 342 P CA 0.387 63.570 63.100 0.138 0.000 1.089 342 P CB 0.488 32.259 31.700 0.118 0.000 1.534 343 S N 0.039 115.778 115.700 0.066 0.000 2.440 343 S HA -0.140 4.323 4.470 -0.010 0.000 0.238 343 S C 1.794 176.396 174.600 0.003 0.000 1.010 343 S CA 0.822 59.020 58.200 -0.004 0.000 0.972 343 S CB -1.505 61.671 63.200 -0.040 0.000 0.774 343 S HN 0.155 nan 8.310 nan 0.000 0.501 344 L N 0.929 122.169 121.223 0.028 0.000 2.549 344 L HA 0.037 4.370 4.340 -0.010 0.000 0.229 344 L C 2.877 179.781 176.870 0.058 0.000 1.158 344 L CA 0.594 55.455 54.840 0.034 0.000 0.842 344 L CB -0.722 41.361 42.059 0.039 0.000 0.952 344 L HN 0.478 nan 8.230 nan 0.000 0.452 345 A N 0.476 123.310 122.820 0.024 0.000 1.972 345 A HA -0.169 4.144 4.320 -0.010 0.000 0.219 345 A C 2.178 179.760 177.584 -0.004 0.000 1.169 345 A CA 1.332 53.368 52.037 -0.001 0.000 0.635 345 A CB -0.405 18.587 19.000 -0.013 0.000 0.810 345 A HN 0.371 nan 8.150 nan 0.000 0.446 346 I N 0.335 120.903 120.570 -0.003 0.000 2.133 346 I HA -0.141 4.023 4.170 -0.010 0.000 0.238 346 I C -0.308 175.821 176.117 0.020 0.000 1.074 346 I CA 1.500 62.794 61.300 -0.010 0.000 1.342 346 I CB -1.052 36.943 38.000 -0.007 0.000 1.053 346 I HN 0.252 nan 8.210 nan 0.000 0.404 347 P HA -0.166 nan 4.420 nan 0.000 0.221 347 P C 1.270 178.587 177.300 0.029 0.000 1.150 347 P CA 1.489 64.621 63.100 0.052 0.000 0.800 347 P CB 0.056 31.811 31.700 0.091 0.000 0.787 348 E N 0.354 120.635 120.200 0.136 0.000 2.106 348 E HA -0.141 4.202 4.350 -0.010 0.000 0.192 348 E C 1.936 178.519 176.600 -0.030 0.000 0.984 348 E CA 0.614 57.107 56.400 0.154 0.000 0.806 348 E CB -1.185 28.658 29.700 0.238 0.000 0.750 348 E HN 0.015 nan 8.360 nan 0.000 0.458 349 L N -0.096 121.081 121.223 -0.077 0.000 2.093 349 L HA -0.069 4.265 4.340 -0.010 0.000 0.208 349 L C 2.035 178.763 176.870 -0.236 0.000 1.085 349 L CA 1.653 56.390 54.840 -0.171 0.000 0.755 349 L CB -0.467 41.493 42.059 -0.166 0.000 0.904 349 L HN 0.220 nan 8.230 nan 0.000 0.435 350 M N -0.750 118.726 119.600 -0.207 0.000 2.117 350 M HA -0.190 4.283 4.480 -0.010 0.000 0.262 350 M C 2.433 178.568 176.300 -0.275 0.000 1.065 350 M CA 1.515 56.641 55.300 -0.291 0.000 1.114 350 M CB -1.160 31.250 32.600 -0.315 0.000 1.361 350 M HN 0.336 nan 8.290 nan 0.000 0.408 351 R N 0.060 120.423 120.500 -0.229 0.000 2.080 351 R HA -0.139 4.194 4.340 -0.010 0.000 0.236 351 R C 2.056 178.251 176.300 -0.175 0.000 1.137 351 R CA 1.770 57.738 56.100 -0.220 0.000 0.943 351 R CB -0.228 29.892 30.300 -0.300 0.000 0.846 351 R HN 0.201 nan 8.270 nan 0.000 0.431 352 V N 1.514 121.323 119.914 -0.174 0.000 2.295 352 V HA -0.265 3.849 4.120 -0.010 0.000 0.246 352 V C 2.444 178.380 176.094 -0.264 0.000 1.049 352 V CA 1.829 64.021 62.300 -0.180 0.000 1.024 352 V CB -0.449 31.263 31.823 -0.184 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.566 120.436 121.223 -0.369 0.000 2.046 353 L HA -0.142 4.192 4.340 -0.010 0.000 0.208 353 L C 2.402 179.093 176.870 -0.298 0.000 1.077 353 L CA 1.202 55.761 54.840 -0.469 0.000 0.747 353 L CB -0.655 41.085 42.059 -0.532 0.000 0.896 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.540 119.239 119.914 -0.226 0.000 2.300 354 V HA -0.188 3.926 4.120 -0.010 0.000 0.241 354 V C 2.007 178.060 176.094 -0.069 0.000 1.034 354 V CA 1.717 63.945 62.300 -0.120 0.000 1.021 354 V CB -0.398 31.380 31.823 -0.075 0.000 0.662 354 V HN 0.343 nan 8.190 nan 0.000 0.458 355 D N 0.041 120.397 120.400 -0.074 0.000 2.149 355 D HA -0.033 4.601 4.640 -0.010 0.000 0.201 355 D C 2.047 178.323 176.300 -0.040 0.000 0.972 355 D CA 1.215 55.190 54.000 -0.042 0.000 0.835 355 D CB 0.013 40.786 40.800 -0.045 0.000 0.966 355 D HN 0.328 nan 8.370 nan 0.000 0.476 356 L N 0.180 121.364 121.223 -0.065 0.000 2.286 356 L HA 0.095 4.429 4.340 -0.010 0.000 0.203 356 L C 1.866 178.712 176.870 -0.042 0.000 1.068 356 L CA 0.532 55.345 54.840 -0.046 0.000 0.811 356 L CB 0.018 42.049 42.059 -0.046 0.000 0.989 356 L HN -0.184 nan 8.230 nan 0.000 0.467 357 E N 0.298 120.440 120.200 -0.096 0.000 2.442 357 E HA 0.020 4.364 4.350 -0.010 0.000 0.195 357 E C 0.174 176.750 176.600 -0.040 0.000 1.030 357 E CA -0.017 56.340 56.400 -0.072 0.000 0.869 357 E CB 0.306 29.856 29.700 -0.250 0.000 0.857 357 E HN 0.177 nan 8.360 nan 0.000 0.505 358 R N -0.423 120.046 120.500 -0.052 0.000 3.776 358 R HA -0.182 4.152 4.340 -0.010 0.000 0.312 358 R C -0.352 175.939 176.300 -0.015 0.000 1.181 358 R CA 0.236 56.325 56.100 -0.017 0.000 0.836 358 R CB -2.803 27.504 30.300 0.012 0.000 1.324 358 R HN 0.088 nan 8.270 nan 0.000 0.501 359 L N 2.194 123.380 121.223 -0.061 0.000 2.436 359 L HA 0.167 4.501 4.340 -0.010 0.000 0.265 359 L C 1.431 178.297 176.870 -0.006 0.000 1.168 359 L CA 0.155 54.969 54.840 -0.043 0.000 0.815 359 L CB 0.397 42.386 42.059 -0.117 0.000 1.109 359 L HN 0.123 nan 8.230 nan 0.000 0.462 360 D N 0.683 121.104 120.400 0.034 0.000 2.362 360 D HA -0.136 4.497 4.640 -0.010 0.000 0.242 360 D C 0.939 177.309 176.300 0.117 0.000 1.132 360 D CA -0.512 53.541 54.000 0.089 0.000 0.907 360 D CB 0.737 41.594 40.800 0.095 0.000 1.195 360 D HN 0.606 nan 8.370 nan 0.000 0.429 361 W N 2.080 123.383 121.300 0.005 0.000 2.315 361 W HA -0.248 4.405 4.660 -0.010 0.000 0.323 361 W C 1.064 177.626 176.519 0.071 0.000 1.233 361 W CA 2.031 59.386 57.345 0.016 0.000 1.267 361 W CB -0.369 29.080 29.460 -0.018 0.000 1.160 361 W HN 0.451 nan 8.180 nan 0.000 0.474 362 D N 0.321 120.933 120.400 0.354 0.000 2.133 362 D HA -0.229 4.405 4.640 -0.010 0.000 0.195 362 D C 1.872 178.276 176.300 0.174 0.000 0.997 362 D CA 2.189 56.361 54.000 0.287 0.000 0.840 362 D CB -0.495 40.438 40.800 0.222 0.000 0.947 362 D HN 0.090 nan 8.370 nan 0.000 0.452 363 K N 1.035 121.495 120.400 0.100 0.000 2.057 363 K HA 0.036 4.350 4.320 -0.010 0.000 0.206 363 K C 1.829 178.422 176.600 -0.012 0.000 1.050 363 K CA 1.414 57.732 56.287 0.051 0.000 0.935 363 K CB -0.555 31.970 32.500 0.042 0.000 0.715 363 K HN 0.009 nan 8.250 nan 0.000 0.439 364 A N 0.592 123.363 122.820 -0.082 0.000 1.902 364 A HA -0.185 4.129 4.320 -0.010 0.000 0.217 364 A C 2.256 179.745 177.584 -0.158 0.000 1.181 364 A CA 1.496 53.414 52.037 -0.198 0.000 0.623 364 A CB -1.229 17.584 19.000 -0.311 0.000 0.818 364 A HN 0.696 nan 8.150 nan 0.000 0.443 365 W N 0.634 121.723 121.300 -0.352 0.000 2.363 365 W HA -0.160 4.494 4.660 -0.010 0.000 0.296 365 W C 1.973 178.432 176.519 -0.100 0.000 1.212 365 W CA 1.760 58.948 57.345 -0.260 0.000 1.260 365 W CB -0.065 29.288 29.460 -0.178 0.000 1.131 365 W HN 0.612 nan 8.180 nan 0.000 0.530 366 E N 0.100 120.294 120.200 -0.010 0.000 2.051 366 E HA -0.223 4.121 4.350 -0.010 0.000 0.192 366 E C 2.054 178.577 176.600 -0.128 0.000 0.991 366 E CA 1.887 58.247 56.400 -0.068 0.000 0.799 366 E CB -0.318 29.398 29.700 0.026 0.000 0.748 366 E HN 0.054 nan 8.360 nan 0.000 0.449 367 V N 0.757 120.611 119.914 -0.100 0.000 2.295 367 V HA -0.257 3.856 4.120 -0.010 0.000 0.246 367 V C 2.404 178.433 176.094 -0.109 0.000 1.049 367 V CA 2.173 64.431 62.300 -0.070 0.000 1.024 367 V CB -0.767 31.006 31.823 -0.083 0.000 0.648 367 V HN 0.379 nan 8.190 nan 0.000 0.447 368 T N 0.096 114.515 114.554 -0.226 0.000 2.652 368 T HA -0.189 4.154 4.350 -0.010 0.000 0.267 368 T C 1.955 176.482 174.700 -0.289 0.000 1.039 368 T CA 1.841 63.783 62.100 -0.264 0.000 1.153 368 T CB -0.322 68.330 68.868 -0.361 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.535 121.156 119.914 -0.488 0.000 2.332 369 V HA -0.194 3.919 4.120 -0.010 0.000 0.248 369 V C 2.335 178.387 176.094 -0.069 0.000 1.055 369 V CA 1.680 63.752 62.300 -0.380 0.000 1.038 369 V CB -0.523 30.993 31.823 -0.511 0.000 0.651 369 V HN 0.495 nan 8.190 nan 0.000 0.450 370 K N -0.552 119.789 120.400 -0.099 0.000 2.365 370 K HA -0.071 4.242 4.320 -0.010 0.000 0.199 370 K C 2.061 178.631 176.600 -0.049 0.000 1.045 370 K CA 1.457 57.666 56.287 -0.129 0.000 0.962 370 K CB -0.193 32.232 32.500 -0.126 0.000 0.759 370 K HN 0.460 nan 8.250 nan 0.000 0.469 371 T N 0.271 114.859 114.554 0.056 0.000 2.976 371 T HA 0.028 4.372 4.350 -0.010 0.000 0.257 371 T C 0.903 175.717 174.700 0.191 0.000 1.051 371 T CA 0.342 62.513 62.100 0.118 0.000 1.141 371 T CB 0.107 69.079 68.868 0.173 0.000 0.881 371 T HN 0.172 nan 8.240 nan 0.000 0.461 372 C N 2.471 121.864 119.300 0.156 0.000 2.401 372 C HA 0.870 5.324 4.460 -0.010 0.000 0.365 372 C C 0.600 175.637 174.990 0.079 0.000 1.250 372 C CA -1.280 57.807 59.018 0.115 0.000 2.131 372 C CB 0.026 27.771 27.740 0.009 0.000 2.445 372 C HN 0.575 nan 8.230 nan 0.000 0.550 373 A N 2.165 125.028 122.820 0.071 0.000 2.449 373 A HA 0.748 5.061 4.320 -0.010 0.000 0.302 373 A C -1.496 176.157 177.584 0.116 0.000 1.048 373 A CA -0.404 51.619 52.037 -0.023 0.000 0.708 373 A CB 0.994 20.024 19.000 0.050 0.000 1.274 373 A HN 0.937 nan 8.150 nan 0.000 0.410 374 Y N 1.223 121.467 120.300 -0.092 0.000 2.376 374 Y HA 0.636 5.180 4.550 -0.010 0.000 0.340 374 Y C -0.476 175.402 175.900 -0.036 0.000 0.965 374 Y CA -0.313 57.749 58.100 -0.063 0.000 1.078 374 Y CB 2.065 40.448 38.460 -0.128 0.000 1.193 374 Y HN 0.566 nan 8.280 nan 0.000 0.452 375 T N 6.486 120.771 114.554 -0.447 0.000 2.770 375 T HA 0.193 4.537 4.350 -0.010 0.000 0.283 375 T C -0.814 173.340 174.700 -0.910 0.000 0.988 375 T CA -0.784 60.996 62.100 -0.533 0.000 0.957 375 T CB 0.417 69.217 68.868 -0.114 0.000 0.930 375 T HN 0.618 nan 8.240 nan 0.000 0.443 376 N N 1.618 119.819 118.700 -0.831 0.000 2.456 376 N HA 0.151 4.885 4.740 -0.010 0.000 0.288 376 N C 0.185 175.550 175.510 -0.242 0.000 1.059 376 N CA -0.305 52.496 53.050 -0.415 0.000 0.946 376 N CB 0.820 39.260 38.487 -0.079 0.000 1.150 376 N HN 0.657 nan 8.380 nan 0.000 0.479 377 H N 0.842 119.947 119.070 0.058 0.000 2.885 377 H HA 0.148 4.698 4.556 -0.011 0.000 0.260 377 H C -0.109 175.160 175.328 -0.099 0.000 0.985 377 H CA 0.206 56.249 56.048 -0.009 0.000 1.210 377 H CB 1.258 31.004 29.762 -0.026 0.000 1.466 377 H HN 0.500 nan 8.280 nan 0.000 0.493 378 T N 0.354 114.967 114.554 0.099 0.000 3.047 378 T HA 0.196 4.540 4.350 -0.010 0.000 0.340 378 T C 0.556 175.285 174.700 0.048 0.000 1.421 378 T CA -0.410 61.686 62.100 -0.006 0.000 1.090 378 T CB 1.270 70.102 68.868 -0.060 0.000 1.292 378 T HN -0.039 nan 8.240 nan 0.000 0.480 379 V N 2.644 122.562 119.914 0.007 0.000 3.647 379 V HA 0.523 4.637 4.120 -0.010 0.000 0.279 379 V C 0.879 176.943 176.094 -0.051 0.000 1.314 379 V CA 0.091 62.371 62.300 -0.033 0.000 1.125 379 V CB -0.742 31.052 31.823 -0.048 0.000 0.907 379 V HN 0.722 nan 8.190 nan 0.000 0.434 380 L N 3.052 124.234 121.223 -0.067 0.000 2.584 380 L HA 0.150 4.484 4.340 -0.010 0.000 0.272 380 L C -0.359 176.519 176.870 0.013 0.000 1.195 380 L CA -0.848 53.976 54.840 -0.027 0.000 0.920 380 L CB 0.475 42.498 42.059 -0.060 0.000 1.173 380 L HN 0.155 nan 8.230 nan 0.000 0.489 381 P HA -0.226 nan 4.420 nan 0.000 0.216 381 P C 0.941 178.259 177.300 0.030 0.000 1.150 381 P CA 1.351 64.463 63.100 0.019 0.000 0.837 381 P CB 0.038 31.752 31.700 0.024 0.000 0.786 382 E N 0.324 120.576 120.200 0.087 0.000 2.409 382 E HA -0.064 4.280 4.350 -0.010 0.000 0.198 382 E C 1.621 178.237 176.600 0.028 0.000 1.024 382 E CA 1.106 57.562 56.400 0.094 0.000 0.861 382 E CB -0.724 29.146 29.700 0.284 0.000 0.788 382 E HN 0.231 nan 8.360 nan 0.000 0.521 383 A N 1.238 124.093 122.820 0.058 0.000 2.220 383 A HA 0.232 4.546 4.320 -0.010 0.000 0.211 383 A C 1.312 178.888 177.584 -0.012 0.000 1.176 383 A CA -0.332 51.742 52.037 0.062 0.000 0.834 383 A CB -0.047 19.010 19.000 0.096 0.000 0.868 383 A HN 0.143 nan 8.150 nan 0.000 0.488 384 L N 1.574 122.749 121.223 -0.079 0.000 2.410 384 L HA 0.135 4.469 4.340 -0.010 0.000 0.273 384 L C -0.106 176.442 176.870 -0.536 0.000 1.152 384 L CA -0.096 54.632 54.840 -0.187 0.000 0.855 384 L CB 0.414 42.396 42.059 -0.129 0.000 1.129 384 L HN 0.331 nan 8.230 nan 0.000 0.463 385 E N 4.252 124.037 120.200 -0.692 0.000 2.223 385 E HA 0.237 4.581 4.350 -0.010 0.000 0.282 385 E C -0.581 175.401 176.600 -1.030 0.000 1.046 385 E CA -0.178 55.357 56.400 -1.442 0.000 0.857 385 E CB 0.729 29.935 29.700 -0.823 0.000 1.055 385 E HN 0.413 nan 8.360 nan 0.000 0.409 386 R N 3.745 123.511 120.500 -1.224 0.000 2.576 386 R HA 0.184 4.518 4.340 -0.010 0.000 0.283 386 R C -1.289 174.845 176.300 -0.278 0.000 1.493 386 R CA -0.562 55.252 56.100 -0.476 0.000 1.170 386 R CB 0.758 30.901 30.300 -0.261 0.000 1.189 386 R HN 0.450 nan 8.270 nan 0.000 0.542 387 W N 4.055 125.308 121.300 -0.079 0.000 2.287 387 W HA 0.266 4.920 4.660 -0.011 0.000 0.313 387 W C -1.917 174.569 176.519 -0.054 0.000 1.267 387 W CA -2.067 55.289 57.345 0.017 0.000 1.201 387 W CB 0.561 30.010 29.460 -0.018 0.000 1.196 387 W HN 0.227 nan 8.180 nan 0.000 0.536 388 P HA -0.076 nan 4.420 nan 0.000 0.267 388 P C 0.780 177.988 177.300 -0.153 0.000 1.205 388 P CA 0.171 63.205 63.100 -0.111 0.000 0.765 388 P CB 0.768 32.210 31.700 -0.430 0.000 0.828 389 V N 3.198 123.073 119.914 -0.065 0.000 2.392 389 V HA -0.282 3.831 4.120 -0.010 0.000 0.249 389 V C 2.090 178.183 176.094 -0.002 0.000 1.059 389 V CA 2.477 64.775 62.300 -0.005 0.000 1.051 389 V CB -1.734 30.151 31.823 0.104 0.000 0.658 389 V HN 0.755 nan 8.190 nan 0.000 0.455 390 H N -0.986 118.144 119.070 0.099 0.000 2.489 390 H HA -0.084 4.466 4.556 -0.010 0.000 0.293 390 H C 1.980 177.359 175.328 0.085 0.000 1.066 390 H CA 1.589 57.691 56.048 0.090 0.000 1.305 390 H CB -0.551 29.264 29.762 0.088 0.000 1.386 390 H HN 0.369 nan 8.280 nan 0.000 0.551 391 L N -0.109 121.048 121.223 -0.110 0.000 2.049 391 L HA -0.045 4.289 4.340 -0.010 0.000 0.203 391 L C 2.322 179.176 176.870 -0.027 0.000 1.074 391 L CA 0.900 55.753 54.840 0.022 0.000 0.749 391 L CB -0.201 41.854 42.059 -0.008 0.000 0.907 391 L HN 0.316 nan 8.230 nan 0.000 0.439 392 L N -0.496 120.674 121.223 -0.088 0.000 2.131 392 L HA -0.243 4.091 4.340 -0.010 0.000 0.210 392 L C 2.480 179.293 176.870 -0.095 0.000 1.092 392 L CA 1.169 55.921 54.840 -0.147 0.000 0.759 392 L CB -0.478 41.479 42.059 -0.170 0.000 0.903 392 L HN 0.361 nan 8.230 nan 0.000 0.435 393 E N -0.226 119.961 120.200 -0.021 0.000 2.085 393 E HA -0.210 4.134 4.350 -0.010 0.000 0.194 393 E C 1.898 178.537 176.600 0.065 0.000 0.994 393 E CA 1.892 58.309 56.400 0.028 0.000 0.801 393 E CB 0.150 29.905 29.700 0.092 0.000 0.743 393 E HN 0.424 nan 8.360 nan 0.000 0.453 394 T N 0.716 115.334 114.554 0.107 0.000 2.894 394 T HA -0.057 4.287 4.350 -0.010 0.000 0.258 394 T C 1.694 176.511 174.700 0.195 0.000 1.043 394 T CA 0.615 62.826 62.100 0.186 0.000 1.141 394 T CB -0.074 68.937 68.868 0.238 0.000 0.873 394 T HN 0.074 nan 8.240 nan 0.000 0.449 395 L N 0.094 121.335 121.223 0.030 0.000 2.162 395 L HA 0.362 4.696 4.340 -0.010 0.000 0.205 395 L C 0.359 177.162 176.870 -0.113 0.000 1.086 395 L CA 1.568 56.305 54.840 -0.171 0.000 0.778 395 L CB 0.048 41.973 42.059 -0.224 0.000 0.928 395 L HN 0.163 nan 8.230 nan 0.000 0.446 396 L N 0.904 122.023 121.223 -0.174 0.000 2.551 396 L HA 0.293 4.627 4.340 -0.010 0.000 0.248 396 L C -1.652 175.038 176.870 -0.300 0.000 1.509 396 L CA -0.967 53.681 54.840 -0.320 0.000 0.842 396 L CB 0.932 42.643 42.059 -0.580 0.000 1.087 396 L HN -0.057 nan 8.230 nan 0.000 0.512 397 P HA -0.233 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.570 177.300 -0.316 0.000 1.150 397 P CA 1.330 64.311 63.100 -0.199 0.000 0.843 397 P CB 0.379 32.036 31.700 -0.073 0.000 0.787 398 R N -0.324 119.809 120.500 -0.612 0.000 2.073 398 R HA -0.137 4.197 4.340 -0.010 0.000 0.229 398 R C 2.369 178.374 176.300 -0.491 0.000 1.120 398 R CA 1.554 57.301 56.100 -0.588 0.000 0.967 398 R CB -1.403 28.368 30.300 -0.882 0.000 0.862 398 R HN 0.220 nan 8.270 nan 0.000 0.436 399 H N -0.159 118.601 119.070 -0.517 0.000 2.421 399 H HA -0.050 4.499 4.556 -0.011 0.000 0.298 399 H C 1.780 176.934 175.328 -0.290 0.000 1.087 399 H CA 1.597 57.427 56.048 -0.364 0.000 1.330 399 H CB -0.086 29.429 29.762 -0.412 0.000 1.388 399 H HN 0.108 nan 8.280 nan 0.000 0.526 400 L N 0.507 121.605 121.223 -0.209 0.000 2.046 400 L HA -0.237 4.097 4.340 -0.010 0.000 0.208 400 L C 1.831 178.495 176.870 -0.344 0.000 1.077 400 L CA 1.589 56.232 54.840 -0.328 0.000 0.747 400 L CB -0.268 41.617 42.059 -0.291 0.000 0.896 400 L HN 0.446 nan 8.230 nan 0.000 0.432 401 Q N -0.270 119.444 119.800 -0.143 0.000 2.084 401 Q HA -0.231 4.103 4.340 -0.010 0.000 0.202 401 Q C 2.168 178.187 176.000 0.030 0.000 0.978 401 Q CA 1.616 57.431 55.803 0.021 0.000 0.844 401 Q CB -0.103 28.657 28.738 0.036 0.000 0.898 401 Q HN 0.564 nan 8.270 nan 0.000 0.426 402 I N 0.519 121.084 120.570 -0.009 0.000 2.286 402 I HA -0.264 3.900 4.170 -0.010 0.000 0.248 402 I C 2.170 178.359 176.117 0.121 0.000 1.115 402 I CA 1.028 62.401 61.300 0.123 0.000 1.392 402 I CB -0.173 37.846 38.000 0.031 0.000 1.065 402 I HN 0.205 nan 8.210 nan 0.000 0.418 403 I N -0.461 120.097 120.570 -0.020 0.000 2.315 403 I HA -0.301 3.863 4.170 -0.010 0.000 0.248 403 I C 2.400 178.531 176.117 0.024 0.000 1.117 403 I CA 1.368 62.647 61.300 -0.036 0.000 1.404 403 I CB -0.359 37.549 38.000 -0.153 0.000 1.071 403 I HN 0.158 nan 8.210 nan 0.000 0.419 404 Y N 0.900 121.206 120.300 0.011 0.000 2.181 404 Y HA -0.256 4.288 4.550 -0.010 0.000 0.288 404 Y C 2.599 178.468 175.900 -0.052 0.000 1.146 404 Y CA 1.442 59.535 58.100 -0.012 0.000 1.164 404 Y CB -0.765 37.680 38.460 -0.025 0.000 0.982 404 Y HN 0.179 nan 8.280 nan 0.000 0.515 405 E N 0.466 120.711 120.200 0.075 0.000 2.077 405 E HA -0.148 4.195 4.350 -0.010 0.000 0.193 405 E C 2.057 178.579 176.600 -0.131 0.000 0.989 405 E CA 1.330 57.634 56.400 -0.160 0.000 0.800 405 E CB -0.551 28.889 29.700 -0.433 0.000 0.746 405 E HN 0.474 nan 8.360 nan 0.000 0.452 406 I N 0.623 121.217 120.570 0.040 0.000 2.179 406 I HA -0.285 3.879 4.170 -0.010 0.000 0.242 406 I C 2.275 178.396 176.117 0.006 0.000 1.088 406 I CA 1.414 62.695 61.300 -0.032 0.000 1.357 406 I CB -0.405 37.585 38.000 -0.017 0.000 1.051 406 I HN 0.219 nan 8.210 nan 0.000 0.409 407 N N 0.760 119.510 118.700 0.083 0.000 2.120 407 N HA -0.269 4.465 4.740 -0.010 0.000 0.188 407 N C 1.873 177.466 175.510 0.138 0.000 1.024 407 N CA 1.539 54.687 53.050 0.162 0.000 0.852 407 N CB -0.135 38.465 38.487 0.187 0.000 1.003 407 N HN 0.292 nan 8.380 nan 0.000 0.424 408 Q N -0.065 119.763 119.800 0.047 0.000 2.061 408 Q HA -0.116 4.218 4.340 -0.010 0.000 0.204 408 Q C 1.964 177.946 176.000 -0.031 0.000 0.984 408 Q CA 1.463 57.257 55.803 -0.015 0.000 0.846 408 Q CB 0.028 28.716 28.738 -0.084 0.000 0.902 408 Q HN 0.393 nan 8.270 nan 0.000 0.421 409 R N -0.809 119.652 120.500 -0.065 0.000 2.115 409 R HA -0.099 4.234 4.340 -0.010 0.000 0.226 409 R C 2.154 178.478 176.300 0.039 0.000 1.100 409 R CA 1.067 57.127 56.100 -0.067 0.000 0.980 409 R CB -0.320 29.887 30.300 -0.155 0.000 0.875 409 R HN 0.272 nan 8.270 nan 0.000 0.445 410 F N 1.709 121.632 119.950 -0.044 0.000 2.113 410 F HA -0.088 4.432 4.527 -0.011 0.000 0.297 410 F C 1.891 177.713 175.800 0.036 0.000 1.103 410 F CA 1.304 59.325 58.000 0.036 0.000 1.248 410 F CB -0.222 38.831 39.000 0.087 0.000 0.999 410 F HN -0.134 nan 8.300 nan 0.000 0.475 411 L N -0.021 121.216 121.223 0.023 0.000 2.201 411 L HA -0.229 4.104 4.340 -0.010 0.000 0.212 411 L C 1.999 178.805 176.870 -0.106 0.000 1.105 411 L CA 1.472 56.264 54.840 -0.080 0.000 0.775 411 L CB -0.873 41.200 42.059 0.025 0.000 0.913 411 L HN 0.257 nan 8.230 nan 0.000 0.440 412 N N -0.196 118.459 118.700 -0.075 0.000 2.188 412 N HA -0.159 4.574 4.740 -0.010 0.000 0.184 412 N C 1.932 177.387 175.510 -0.093 0.000 1.018 412 N CA 0.709 53.716 53.050 -0.072 0.000 0.858 412 N CB 0.029 38.480 38.487 -0.060 0.000 0.989 412 N HN 0.263 nan 8.380 nan 0.000 0.426 413 R N 0.450 120.874 120.500 -0.127 0.000 2.092 413 R HA -0.021 4.312 4.340 -0.010 0.000 0.231 413 R C 2.115 178.310 176.300 -0.176 0.000 1.119 413 R CA 0.695 56.712 56.100 -0.137 0.000 0.970 413 R CB -0.086 30.136 30.300 -0.129 0.000 0.864 413 R HN 0.064 nan 8.270 nan 0.000 0.440 414 V N 0.628 120.390 119.914 -0.253 0.000 2.358 414 V HA -0.206 3.908 4.120 -0.010 0.000 0.246 414 V C 2.350 178.436 176.094 -0.014 0.000 1.047 414 V CA 1.928 64.142 62.300 -0.145 0.000 1.035 414 V CB -0.644 31.034 31.823 -0.242 0.000 0.658 414 V HN 0.401 nan 8.190 nan 0.000 0.452 415 A N 0.018 122.806 122.820 -0.053 0.000 1.972 415 A HA -0.106 4.208 4.320 -0.010 0.000 0.219 415 A C 2.349 179.910 177.584 -0.039 0.000 1.169 415 A CA 2.069 54.092 52.037 -0.024 0.000 0.635 415 A CB -0.625 18.353 19.000 -0.037 0.000 0.810 415 A HN 0.577 nan 8.150 nan 0.000 0.446 416 A N -0.695 122.082 122.820 -0.073 0.000 2.016 416 A HA 0.357 4.670 4.320 -0.010 0.000 0.217 416 A C 2.335 179.827 177.584 -0.154 0.000 1.162 416 A CA 1.544 53.526 52.037 -0.092 0.000 0.662 416 A CB -0.598 18.352 19.000 -0.084 0.000 0.812 416 A HN 0.922 nan 8.150 nan 0.000 0.450 417 A N -1.535 121.148 122.820 -0.227 0.000 1.975 417 A HA 0.384 4.698 4.320 -0.010 0.000 0.215 417 A C 0.433 177.555 177.584 -0.771 0.000 1.170 417 A CA 0.535 52.263 52.037 -0.516 0.000 0.656 417 A CB -0.147 18.471 19.000 -0.636 0.000 0.821 417 A HN 0.416 nan 8.150 nan 0.000 0.449 418 F N -0.152 119.751 119.950 -0.078 0.000 2.584 418 F HA 0.342 4.862 4.527 -0.011 0.000 0.328 418 F C -2.785 172.978 175.800 -0.061 0.000 1.407 418 F CA -2.834 55.125 58.000 -0.068 0.000 1.145 418 F CB 0.670 39.621 39.000 -0.081 0.000 1.440 418 F HN -0.076 nan 8.300 nan 0.000 0.580 419 P HA 0.143 nan 4.420 nan 0.000 0.261 419 P C 1.020 178.340 177.300 0.033 0.000 1.183 419 P CA 1.261 64.372 63.100 0.019 0.000 0.761 419 P CB 0.690 32.383 31.700 -0.012 0.000 0.785 420 G N 2.741 111.553 108.800 0.021 0.000 2.205 420 G HA2 -0.249 3.704 3.960 -0.010 0.000 0.261 420 G HA3 -0.249 3.704 3.960 -0.010 0.000 0.261 420 G C 0.369 175.278 174.900 0.016 0.000 0.980 420 G CA 0.039 45.147 45.100 0.014 0.000 0.632 420 G HN 0.601 nan 8.290 nan 0.000 0.533 421 D N 1.499 121.917 120.400 0.030 0.000 2.551 421 D HA 0.376 5.010 4.640 -0.010 0.000 0.223 421 D C 2.134 178.424 176.300 -0.016 0.000 1.144 421 D CA 0.408 54.411 54.000 0.004 0.000 1.025 421 D CB 0.335 41.134 40.800 -0.001 0.000 1.085 421 D HN 0.600 nan 8.370 nan 0.000 0.506 422 V N 0.670 120.577 119.914 -0.013 0.000 2.490 422 V HA -0.168 3.946 4.120 -0.010 0.000 0.250 422 V C 1.798 177.880 176.094 -0.019 0.000 1.061 422 V CA 1.614 63.906 62.300 -0.013 0.000 1.064 422 V CB -0.453 31.366 31.823 -0.007 0.000 0.670 422 V HN 0.216 nan 8.190 nan 0.000 0.461 423 D N 0.422 120.807 120.400 -0.026 0.000 2.183 423 D HA -0.161 4.473 4.640 -0.010 0.000 0.203 423 D C 2.337 178.611 176.300 -0.044 0.000 0.969 423 D CA 1.320 55.305 54.000 -0.025 0.000 0.842 423 D CB -0.235 40.550 40.800 -0.025 0.000 0.957 423 D HN 0.458 nan 8.370 nan 0.000 0.484 424 R N -0.110 120.340 120.500 -0.084 0.000 2.096 424 R HA -0.086 4.248 4.340 -0.010 0.000 0.235 424 R C 2.247 178.480 176.300 -0.110 0.000 1.127 424 R CA 0.856 56.870 56.100 -0.144 0.000 0.968 424 R CB -0.252 29.899 30.300 -0.247 0.000 0.861 424 R HN 0.255 nan 8.270 nan 0.000 0.440 425 L N 0.670 121.853 121.223 -0.067 0.000 2.012 425 L HA -0.209 4.124 4.340 -0.010 0.000 0.210 425 L C 2.683 179.559 176.870 0.010 0.000 1.073 425 L CA 1.880 56.700 54.840 -0.034 0.000 0.748 425 L CB -0.476 41.573 42.059 -0.018 0.000 0.891 425 L HN 0.279 nan 8.230 nan 0.000 0.431 426 R N 0.068 120.579 120.500 0.018 0.000 2.115 426 R HA -0.085 4.249 4.340 -0.010 0.000 0.226 426 R C 2.113 178.465 176.300 0.087 0.000 1.100 426 R CA 0.970 57.103 56.100 0.054 0.000 0.980 426 R CB -0.575 29.750 30.300 0.042 0.000 0.875 426 R HN 0.190 nan 8.270 nan 0.000 0.445 427 R N 0.138 120.671 120.500 0.055 0.000 2.090 427 R HA 0.118 4.452 4.340 -0.010 0.000 0.228 427 R C 2.016 178.402 176.300 0.143 0.000 1.110 427 R CA 1.756 57.914 56.100 0.097 0.000 0.973 427 R CB -0.201 30.117 30.300 0.030 0.000 0.869 427 R HN 0.328 nan 8.270 nan 0.000 0.440 428 M N 0.112 119.719 119.600 0.012 0.000 2.541 428 M HA 0.042 4.516 4.480 -0.010 0.000 0.252 428 M C 0.926 177.368 176.300 0.238 0.000 1.125 428 M CA 0.016 55.274 55.300 -0.070 0.000 1.091 428 M CB 0.381 32.787 32.600 -0.323 0.000 1.420 428 M HN -0.078 nan 8.290 nan 0.000 0.486 429 S N 1.041 116.896 115.700 0.258 0.000 2.558 429 S HA 0.030 4.494 4.470 -0.010 0.000 0.287 429 S C 1.109 175.961 174.600 0.420 0.000 1.321 429 S CA -0.157 58.224 58.200 0.302 0.000 1.048 429 S CB 0.564 63.888 63.200 0.207 0.000 0.844 429 S HN 0.368 nan 8.310 nan 0.000 0.512 430 L N 3.757 125.176 121.223 0.326 0.000 2.341 430 L HA 0.134 4.467 4.340 -0.010 0.000 0.214 430 L C 0.216 177.193 176.870 0.180 0.000 1.115 430 L CA 0.229 55.225 54.840 0.260 0.000 0.820 430 L CB -0.297 41.855 42.059 0.155 0.000 0.944 430 L HN 0.388 nan 8.230 nan 0.000 0.452 431 V N 0.890 120.922 119.914 0.196 0.000 2.383 431 V HA 0.174 4.288 4.120 -0.010 0.000 0.275 431 V C 0.040 176.220 176.094 0.143 0.000 1.036 431 V CA -0.591 61.811 62.300 0.170 0.000 0.889 431 V CB 1.363 33.318 31.823 0.220 0.000 0.985 431 V HN 0.175 nan 8.190 nan 0.000 0.459 432 E N 3.199 123.463 120.200 0.107 0.000 2.197 432 E HA 0.432 4.775 4.350 -0.010 0.000 0.281 432 E C -0.676 175.973 176.600 0.082 0.000 0.995 432 E CA -0.568 55.885 56.400 0.089 0.000 0.808 432 E CB 2.001 31.733 29.700 0.055 0.000 1.093 432 E HN 0.605 nan 8.360 nan 0.000 0.394 433 E N 0.837 121.083 120.200 0.075 0.000 2.280 433 E HA 0.649 4.993 4.350 -0.010 0.000 0.261 433 E C 0.136 176.771 176.600 0.057 0.000 1.088 433 E CA 0.304 56.743 56.400 0.065 0.000 0.915 433 E CB 1.487 31.220 29.700 0.056 0.000 1.141 433 E HN 0.639 nan 8.360 nan 0.000 0.433 434 G N -0.218 108.615 108.800 0.054 0.000 2.291 434 G HA2 0.213 4.166 3.960 -0.010 0.000 0.249 434 G HA3 0.213 4.166 3.960 -0.010 0.000 0.249 434 G C 0.506 175.438 174.900 0.052 0.000 1.340 434 G CA 0.316 45.445 45.100 0.048 0.000 1.017 434 G HN 0.640 nan 8.290 nan 0.000 0.470 435 A N -0.872 121.977 122.820 0.050 0.000 1.870 435 A HA 0.263 4.577 4.320 -0.010 0.000 0.219 435 A C 1.709 179.335 177.584 0.070 0.000 1.224 435 A CA 4.358 56.427 52.037 0.053 0.000 0.650 435 A CB -1.253 17.778 19.000 0.050 0.000 0.836 435 A HN 2.400 nan 8.150 nan 0.000 0.454 436 V N -3.598 116.366 119.914 0.084 0.000 2.588 436 V HA 0.552 4.665 4.120 -0.010 0.000 0.304 436 V C -0.619 175.535 176.094 0.100 0.000 1.042 436 V CA -1.423 60.946 62.300 0.115 0.000 0.877 436 V CB 1.591 33.507 31.823 0.156 0.000 0.996 436 V HN 0.337 nan 8.190 nan 0.000 0.425 437 K N 3.941 124.407 120.400 0.110 0.000 2.382 437 K HA 0.489 4.803 4.320 -0.010 0.000 0.275 437 K C -0.370 176.281 176.600 0.086 0.000 1.009 437 K CA -0.127 56.221 56.287 0.102 0.000 0.970 437 K CB 0.801 33.375 32.500 0.124 0.000 0.934 437 K HN 0.743 nan 8.250 nan 0.000 0.479 438 R N 1.383 121.927 120.500 0.074 0.000 2.808 438 R HA 0.482 4.816 4.340 -0.010 0.000 0.272 438 R C -0.703 175.629 176.300 0.052 0.000 0.995 438 R CA -1.021 55.111 56.100 0.054 0.000 0.917 438 R CB 1.303 31.619 30.300 0.028 0.000 1.217 438 R HN 0.363 nan 8.270 nan 0.000 0.471 439 I N 1.897 122.494 120.570 0.045 0.000 2.339 439 I HA 0.171 4.335 4.170 -0.010 0.000 0.290 439 I C -0.254 175.847 176.117 -0.027 0.000 0.994 439 I CA -0.745 60.571 61.300 0.028 0.000 1.191 439 I CB 1.234 39.249 38.000 0.026 0.000 1.343 439 I HN 0.516 nan 8.210 nan 0.000 0.458 440 N N 7.172 125.827 118.700 -0.074 0.000 2.402 440 N HA 0.096 4.829 4.740 -0.010 0.000 0.252 440 N C 0.812 176.224 175.510 -0.164 0.000 1.118 440 N CA -0.331 52.596 53.050 -0.205 0.000 0.945 440 N CB 0.985 39.208 38.487 -0.440 0.000 1.147 440 N HN 0.377 nan 8.380 nan 0.000 0.495 441 M N 2.453 121.962 119.600 -0.151 0.000 2.296 441 M HA -0.058 4.416 4.480 -0.010 0.000 0.265 441 M C 1.902 178.071 176.300 -0.218 0.000 1.064 441 M CA 0.677 55.905 55.300 -0.121 0.000 1.109 441 M CB -1.512 31.061 32.600 -0.046 0.000 1.396 441 M HN 0.604 nan 8.290 nan 0.000 0.430 442 A N -0.526 122.164 122.820 -0.217 0.000 1.930 442 A HA -0.160 4.154 4.320 -0.010 0.000 0.217 442 A C 1.968 179.347 177.584 -0.343 0.000 1.175 442 A CA 1.367 53.252 52.037 -0.254 0.000 0.627 442 A CB -1.087 17.953 19.000 0.066 0.000 0.815 442 A HN 0.594 nan 8.150 nan 0.000 0.443 443 H N -1.086 117.781 119.070 -0.339 0.000 2.389 443 H HA 0.003 4.553 4.556 -0.011 0.000 0.299 443 H C 2.100 177.203 175.328 -0.374 0.000 1.081 443 H CA 0.878 56.680 56.048 -0.410 0.000 1.345 443 H CB -0.014 29.717 29.762 -0.052 0.000 1.393 443 H HN 0.381 nan 8.280 nan 0.000 0.520 444 L N 0.338 121.474 121.223 -0.144 0.000 2.046 444 L HA -0.211 4.123 4.340 -0.010 0.000 0.208 444 L C 2.151 178.879 176.870 -0.236 0.000 1.077 444 L CA 1.219 55.972 54.840 -0.145 0.000 0.747 444 L CB -0.353 41.650 42.059 -0.095 0.000 0.896 444 L HN 0.434 nan 8.230 nan 0.000 0.432 445 C N 0.010 119.067 119.300 -0.406 0.000 2.425 445 C HA -0.149 4.305 4.460 -0.010 0.000 0.277 445 C C 2.662 177.374 174.990 -0.465 0.000 1.280 445 C CA 0.514 59.197 59.018 -0.558 0.000 1.744 445 C CB -0.714 26.282 27.740 -1.240 0.000 1.989 445 C HN 0.512 nan 8.230 nan 0.000 0.491 446 I N 1.342 121.604 120.570 -0.515 0.000 2.202 446 I HA -0.176 3.988 4.170 -0.010 0.000 0.242 446 I C 2.765 178.724 176.117 -0.262 0.000 1.091 446 I CA 1.582 62.629 61.300 -0.422 0.000 1.368 446 I CB -0.575 37.022 38.000 -0.673 0.000 1.058 446 I HN 0.253 nan 8.210 nan 0.000 0.410 447 A N 0.631 123.268 122.820 -0.306 0.000 1.933 447 A HA -0.106 4.208 4.320 -0.010 0.000 0.218 447 A C 2.202 179.821 177.584 0.059 0.000 1.175 447 A CA 1.899 53.800 52.037 -0.227 0.000 0.628 447 A CB -1.156 17.506 19.000 -0.563 0.000 0.814 447 A HN 0.479 nan 8.150 nan 0.000 0.444 448 G N -1.158 107.618 108.800 -0.040 0.000 3.284 448 G HA2 0.418 4.372 3.960 -0.010 0.000 0.236 448 G HA3 0.418 4.372 3.960 -0.010 0.000 0.236 448 G C 0.077 174.812 174.900 -0.275 0.000 1.158 448 G CA 0.471 45.432 45.100 -0.231 0.000 0.774 448 G HN 0.342 nan 8.290 nan 0.000 0.545 449 S N -0.314 115.278 115.700 -0.180 0.000 2.536 449 S HA 0.322 4.785 4.470 -0.010 0.000 0.298 449 S C 0.703 175.242 174.600 -0.103 0.000 1.083 449 S CA -0.717 57.401 58.200 -0.136 0.000 0.995 449 S CB 1.255 64.381 63.200 -0.123 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.092 118.938 119.070 -0.068 0.000 2.548 450 H HA 0.512 5.061 4.556 -0.011 0.000 0.265 450 H C 0.098 175.406 175.328 -0.033 0.000 0.969 450 H CA 0.235 56.267 56.048 -0.027 0.000 1.155 450 H CB 0.133 29.896 29.762 0.001 0.000 1.394 450 H HN 0.511 nan 8.280 nan 0.000 0.570 451 A N 0.892 123.414 122.820 -0.496 0.000 2.517 451 A HA 0.545 4.858 4.320 -0.010 0.000 0.297 451 A C -1.481 175.907 177.584 -0.327 0.000 1.050 451 A CA -0.572 51.231 52.037 -0.391 0.000 0.694 451 A CB 2.137 20.881 19.000 -0.427 0.000 1.277 451 A HN 0.094 nan 8.150 nan 0.000 0.400 452 V N 4.274 123.964 119.914 -0.373 0.000 2.483 452 V HA 0.529 4.642 4.120 -0.010 0.000 0.297 452 V C -0.736 175.187 176.094 -0.285 0.000 1.027 452 V CA -0.760 61.324 62.300 -0.359 0.000 0.855 452 V CB 1.795 33.261 31.823 -0.595 0.000 0.995 452 V HN 1.014 nan 8.190 nan 0.000 0.424 453 N N 3.230 121.780 118.700 -0.250 0.000 2.265 453 N HA 0.623 5.357 4.740 -0.010 0.000 0.300 453 N C -0.243 175.180 175.510 -0.145 0.000 1.148 453 N CA -0.381 52.562 53.050 -0.178 0.000 0.772 453 N CB 2.885 41.235 38.487 -0.229 0.000 1.434 453 N HN 0.623 nan 8.380 nan 0.000 0.481 454 G N -0.829 107.932 108.800 -0.066 0.000 2.531 454 G HA2 0.425 4.379 3.960 -0.010 0.000 0.313 454 G HA3 0.425 4.379 3.960 -0.010 0.000 0.313 454 G C 0.715 175.690 174.900 0.124 0.000 1.238 454 G CA -0.527 44.595 45.100 0.037 0.000 0.994 454 G HN 0.613 nan 8.290 nan 0.000 0.493 455 V N -3.634 116.464 119.914 0.306 0.000 3.427 455 V HA 0.695 4.809 4.120 -0.010 0.000 0.305 455 V C 0.534 176.703 176.094 0.125 0.000 1.412 455 V CA 0.296 62.679 62.300 0.138 0.000 1.086 455 V CB -0.777 31.082 31.823 0.061 0.000 0.964 455 V HN 1.349 nan 8.190 nan 0.000 0.439 456 A N -0.091 122.816 122.820 0.145 0.000 2.594 456 A HA 0.623 4.937 4.320 -0.010 0.000 0.296 456 A C 0.684 178.321 177.584 0.090 0.000 1.056 456 A CA -0.111 51.991 52.037 0.108 0.000 0.693 456 A CB 1.198 20.249 19.000 0.085 0.000 1.278 456 A HN 0.030 nan 8.150 nan 0.000 0.408 457 R N 0.991 121.522 120.500 0.051 0.000 2.112 457 R HA -0.180 4.154 4.340 -0.010 0.000 0.242 457 R C 1.660 177.963 176.300 0.005 0.000 1.137 457 R CA 2.376 58.485 56.100 0.015 0.000 0.944 457 R CB -0.231 30.071 30.300 0.004 0.000 0.857 457 R HN 0.832 nan 8.270 nan 0.000 0.435 458 I N 0.154 120.734 120.570 0.018 0.000 2.394 458 I HA -0.276 3.888 4.170 -0.010 0.000 0.251 458 I C 2.275 178.404 176.117 0.021 0.000 1.136 458 I CA 1.751 63.053 61.300 0.003 0.000 1.425 458 I CB -0.207 37.793 38.000 0.000 0.000 1.079 458 I HN 0.346 nan 8.210 nan 0.000 0.425 459 H N 0.253 119.296 119.070 -0.046 0.000 2.326 459 H HA -0.098 4.452 4.556 -0.011 0.000 0.301 459 H C 2.267 177.561 175.328 -0.057 0.000 1.081 459 H CA 2.143 58.159 56.048 -0.053 0.000 1.334 459 H CB -0.195 29.542 29.762 -0.041 0.000 1.385 459 H HN 0.223 nan 8.280 nan 0.000 0.504 460 S N 0.323 115.938 115.700 -0.142 0.000 2.399 460 S HA -0.112 4.352 4.470 -0.010 0.000 0.231 460 S C 1.858 176.346 174.600 -0.187 0.000 1.022 460 S CA 1.121 59.208 58.200 -0.188 0.000 0.983 460 S CB -0.049 63.107 63.200 -0.074 0.000 0.803 460 S HN 0.478 nan 8.310 nan 0.000 0.480 461 E N 1.182 121.292 120.200 -0.150 0.000 2.107 461 E HA 0.025 4.368 4.350 -0.010 0.000 0.191 461 E C 1.993 178.478 176.600 -0.191 0.000 0.982 461 E CA 0.599 56.898 56.400 -0.168 0.000 0.809 461 E CB -0.313 29.319 29.700 -0.114 0.000 0.756 461 E HN 0.508 nan 8.360 nan 0.000 0.459 462 I N 0.976 121.444 120.570 -0.171 0.000 2.286 462 I HA -0.257 3.906 4.170 -0.010 0.000 0.248 462 I C 2.371 178.352 176.117 -0.228 0.000 1.115 462 I CA 0.724 61.923 61.300 -0.168 0.000 1.392 462 I CB -0.210 37.717 38.000 -0.122 0.000 1.065 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.428 121.477 121.223 -0.289 0.000 2.046 463 L HA -0.221 4.112 4.340 -0.010 0.000 0.208 463 L C 2.466 179.202 176.870 -0.224 0.000 1.077 463 L CA 1.588 56.267 54.840 -0.269 0.000 0.747 463 L CB -0.548 41.420 42.059 -0.151 0.000 0.896 463 L HN 0.209 nan 8.230 nan 0.000 0.432 464 K N -0.067 120.130 120.400 -0.337 0.000 2.228 464 K HA -0.094 4.220 4.320 -0.010 0.000 0.202 464 K C 2.016 178.410 176.600 -0.343 0.000 1.051 464 K CA 0.850 56.806 56.287 -0.551 0.000 0.960 464 K CB 0.092 32.023 32.500 -0.949 0.000 0.743 464 K HN 0.285 nan 8.250 nan 0.000 0.458 465 K N 0.026 120.282 120.400 -0.240 0.000 2.262 465 K HA -0.023 4.290 4.320 -0.010 0.000 0.200 465 K C 1.907 178.450 176.600 -0.095 0.000 1.049 465 K CA 1.401 57.603 56.287 -0.142 0.000 0.979 465 K CB 0.409 32.836 32.500 -0.122 0.000 0.773 465 K HN 0.253 nan 8.250 nan 0.000 0.474 466 T N -1.031 113.455 114.554 -0.113 0.000 3.330 466 T HA 0.061 4.405 4.350 -0.010 0.000 0.185 466 T C 1.945 176.600 174.700 -0.075 0.000 0.874 466 T CA 0.030 62.078 62.100 -0.086 0.000 1.268 466 T CB -0.818 67.992 68.868 -0.097 0.000 1.866 466 T HN 0.116 nan 8.240 nan 0.000 0.395 467 I N -0.706 119.763 120.570 -0.168 0.000 2.315 467 I HA 0.048 4.212 4.170 -0.010 0.000 0.251 467 I C 1.467 177.573 176.117 -0.019 0.000 1.125 467 I CA 1.659 62.831 61.300 -0.213 0.000 1.392 467 I CB -0.691 36.995 38.000 -0.524 0.000 1.065 467 I HN 0.284 nan 8.210 nan 0.000 0.424 468 F N 0.694 120.702 119.950 0.096 0.000 2.735 468 F HA 0.314 4.834 4.527 -0.011 0.000 0.304 468 F C 1.990 177.863 175.800 0.121 0.000 1.119 468 F CA -0.678 57.449 58.000 0.212 0.000 1.280 468 F CB 0.193 39.296 39.000 0.171 0.000 0.994 468 F HN -0.074 nan 8.300 nan 0.000 0.520 469 K N 1.073 121.586 120.400 0.188 0.000 2.044 469 K HA -0.219 4.094 4.320 -0.010 0.000 0.210 469 K C 1.345 177.998 176.600 0.089 0.000 1.049 469 K CA 2.255 58.595 56.287 0.089 0.000 0.927 469 K CB -0.012 32.506 32.500 0.030 0.000 0.713 469 K HN 0.165 nan 8.250 nan 0.000 0.443 470 D N -0.094 120.330 120.400 0.040 0.000 2.123 470 D HA -0.170 4.463 4.640 -0.010 0.000 0.196 470 D C 1.855 178.063 176.300 -0.154 0.000 0.992 470 D CA 1.291 55.187 54.000 -0.174 0.000 0.833 470 D CB -0.341 40.252 40.800 -0.344 0.000 0.954 470 D HN 0.244 nan 8.370 nan 0.000 0.455 471 F N -0.020 120.002 119.950 0.121 0.000 2.146 471 F HA -0.160 4.360 4.527 -0.011 0.000 0.298 471 F C 2.381 178.332 175.800 0.252 0.000 1.096 471 F CA 0.599 58.745 58.000 0.245 0.000 1.275 471 F CB -0.731 38.473 39.000 0.340 0.000 1.008 471 F HN -0.030 nan 8.300 nan 0.000 0.480 472 Y N 1.439 121.736 120.300 -0.005 0.000 2.224 472 Y HA -0.202 4.342 4.550 -0.010 0.000 0.289 472 Y C 2.103 178.015 175.900 0.020 0.000 1.146 472 Y CA 1.639 59.584 58.100 -0.258 0.000 1.182 472 Y CB -0.644 37.480 38.460 -0.560 0.000 0.983 472 Y HN 0.160 nan 8.280 nan 0.000 0.524 473 E N -0.491 119.664 120.200 -0.075 0.000 2.150 473 E HA -0.182 4.161 4.350 -0.010 0.000 0.193 473 E C 1.975 178.633 176.600 0.096 0.000 0.985 473 E CA 1.158 57.521 56.400 -0.061 0.000 0.814 473 E CB -0.250 29.460 29.700 0.016 0.000 0.752 473 E HN 0.427 nan 8.360 nan 0.000 0.466 474 L N 0.971 122.290 121.223 0.160 0.000 2.095 474 L HA -0.025 4.308 4.340 -0.010 0.000 0.204 474 L C 0.271 177.233 176.870 0.154 0.000 1.080 474 L CA 1.643 56.610 54.840 0.212 0.000 0.759 474 L CB 0.391 42.570 42.059 0.200 0.000 0.914 474 L HN -0.113 nan 8.230 nan 0.000 0.439 475 E N 0.128 120.419 120.200 0.151 0.000 3.386 475 E HA 0.185 4.528 4.350 -0.010 0.000 0.236 475 E C -2.005 174.541 176.600 -0.090 0.000 1.227 475 E CA -1.264 55.143 56.400 0.011 0.000 0.970 475 E CB 0.812 30.504 29.700 -0.015 0.000 1.343 475 E HN 0.197 nan 8.360 nan 0.000 0.397 476 P HA -0.257 nan 4.420 nan 0.000 0.216 476 P C 1.227 178.628 177.300 0.169 0.000 1.150 476 P CA 1.460 64.488 63.100 -0.120 0.000 0.837 476 P CB -0.031 31.466 31.700 -0.337 0.000 0.786 477 H N 0.410 119.581 119.070 0.169 0.000 2.457 477 H HA 0.014 4.564 4.556 -0.011 0.000 0.297 477 H C 1.527 176.942 175.328 0.145 0.000 1.092 477 H CA 0.933 57.070 56.048 0.148 0.000 1.309 477 H CB -0.879 28.941 29.762 0.096 0.000 1.382 477 H HN 0.179 nan 8.280 nan 0.000 0.535 478 K N 0.308 120.559 120.400 -0.250 0.000 2.217 478 K HA 0.017 4.331 4.320 -0.010 0.000 0.202 478 K C -0.063 176.369 176.600 -0.280 0.000 1.051 478 K CA 0.307 56.443 56.287 -0.252 0.000 0.952 478 K CB 0.033 32.267 32.500 -0.444 0.000 0.736 478 K HN 0.111 nan 8.250 nan 0.000 0.453 479 F N 1.834 121.809 119.950 0.042 0.000 2.438 479 F HA 0.149 4.669 4.527 -0.011 0.000 0.356 479 F C 0.540 176.345 175.800 0.008 0.000 1.099 479 F CA -0.077 57.953 58.000 0.049 0.000 1.185 479 F CB 0.833 39.914 39.000 0.136 0.000 1.115 479 F HN -0.083 nan 8.300 nan 0.000 0.526 480 Q N 1.762 121.595 119.800 0.055 0.000 2.605 480 Q HA 0.370 4.704 4.340 -0.010 0.000 0.296 480 Q C -1.182 174.784 176.000 -0.056 0.000 1.056 480 Q CA -1.285 54.506 55.803 -0.020 0.000 0.778 480 Q CB 3.068 31.739 28.738 -0.111 0.000 1.497 480 Q HN 0.631 nan 8.270 nan 0.000 0.443 481 N N 0.593 119.240 118.700 -0.089 0.000 2.238 481 N HA 0.292 5.026 4.740 -0.010 0.000 0.302 481 N C -1.527 173.889 175.510 -0.156 0.000 1.072 481 N CA -0.406 52.590 53.050 -0.090 0.000 0.792 481 N CB 1.137 39.594 38.487 -0.051 0.000 1.425 481 N HN 0.289 nan 8.380 nan 0.000 0.478 482 K N 2.717 123.027 120.400 -0.149 0.000 2.723 482 K HA 0.180 4.494 4.320 -0.010 0.000 0.229 482 K C -1.019 175.585 176.600 0.008 0.000 1.022 482 K CA -0.479 55.690 56.287 -0.197 0.000 1.045 482 K CB 1.257 33.415 32.500 -0.571 0.000 1.227 482 K HN 0.553 nan 8.250 nan 0.000 0.516 483 T N 2.066 116.643 114.554 0.038 0.000 2.902 483 T HA 0.065 4.408 4.350 -0.010 0.000 0.301 483 T C 0.813 175.636 174.700 0.206 0.000 1.012 483 T CA 0.314 62.487 62.100 0.121 0.000 1.151 483 T CB 0.292 69.229 68.868 0.115 0.000 0.946 483 T HN 0.354 nan 8.240 nan 0.000 0.542 484 N N 0.637 119.482 118.700 0.241 0.000 2.267 484 N HA 0.396 5.130 4.740 -0.010 0.000 0.226 484 N C 0.496 176.190 175.510 0.306 0.000 1.314 484 N CA -0.107 53.120 53.050 0.296 0.000 0.887 484 N CB 0.361 38.964 38.487 0.192 0.000 1.120 484 N HN 0.770 nan 8.380 nan 0.000 0.440 485 G N -0.752 108.236 108.800 0.313 0.000 2.645 485 G HA2 0.577 4.531 3.960 -0.010 0.000 0.292 485 G HA3 0.577 4.531 3.960 -0.010 0.000 0.292 485 G C -1.463 173.569 174.900 0.220 0.000 1.415 485 G CA -0.750 44.521 45.100 0.285 0.000 0.785 485 G HN 0.597 nan 8.290 nan 0.000 0.483 486 I N -2.318 118.369 120.570 0.195 0.000 2.828 486 I HA 0.756 4.920 4.170 -0.010 0.000 0.302 486 I C -0.244 176.033 176.117 0.266 0.000 1.101 486 I CA -0.948 60.462 61.300 0.183 0.000 1.031 486 I CB 2.432 40.436 38.000 0.007 0.000 1.231 486 I HN 0.507 nan 8.210 nan 0.000 0.427 487 T N 4.310 119.074 114.554 0.350 0.000 2.814 487 T HA 0.340 4.684 4.350 -0.010 0.000 0.297 487 T C -1.344 173.472 174.700 0.193 0.000 0.956 487 T CA -1.594 60.635 62.100 0.214 0.000 1.123 487 T CB 0.746 69.686 68.868 0.119 0.000 0.902 487 T HN 0.645 nan 8.240 nan 0.000 0.528 488 P HA 0.031 nan 4.420 nan 0.000 0.237 488 P C 1.030 178.299 177.300 -0.051 0.000 1.178 488 P CA 0.318 63.455 63.100 0.061 0.000 0.766 488 P CB 0.392 32.113 31.700 0.035 0.000 0.876 489 R N 0.486 120.911 120.500 -0.124 0.000 2.056 489 R HA 0.033 4.367 4.340 -0.010 0.000 0.227 489 R C 2.721 178.899 176.300 -0.202 0.000 1.149 489 R CA 1.488 57.473 56.100 -0.192 0.000 0.937 489 R CB -1.216 28.977 30.300 -0.179 0.000 0.835 489 R HN 0.033 nan 8.270 nan 0.000 0.430 490 R N -0.753 119.562 120.500 -0.308 0.000 2.075 490 R HA -0.113 4.221 4.340 -0.010 0.000 0.232 490 R C 1.014 176.932 176.300 -0.637 0.000 1.126 490 R CA 1.567 57.325 56.100 -0.570 0.000 0.963 490 R CB -0.168 29.600 30.300 -0.888 0.000 0.858 490 R HN 0.290 nan 8.270 nan 0.000 0.435 491 W N -0.036 121.219 121.300 -0.074 0.000 3.405 491 W HA 0.140 4.793 4.660 -0.011 0.000 0.300 491 W C 0.898 177.385 176.519 -0.054 0.000 1.286 491 W CA -0.679 56.621 57.345 -0.075 0.000 1.762 491 W CB 0.374 29.793 29.460 -0.069 0.000 1.087 491 W HN 0.234 nan 8.180 nan 0.000 0.703 492 L N -2.437 118.833 121.223 0.077 0.000 2.604 492 L HA 0.171 4.505 4.340 -0.010 0.000 0.150 492 L C 1.744 178.628 176.870 0.024 0.000 1.292 492 L CA 0.714 55.600 54.840 0.077 0.000 0.977 492 L CB -0.879 41.252 42.059 0.119 0.000 1.943 492 L HN -0.262 nan 8.230 nan 0.000 0.508 493 V N 1.369 121.278 119.914 -0.009 0.000 2.287 493 V HA -0.287 3.826 4.120 -0.010 0.000 0.248 493 V C 2.465 178.532 176.094 -0.044 0.000 1.053 493 V CA 2.579 64.864 62.300 -0.025 0.000 1.027 493 V CB -0.693 31.088 31.823 -0.070 0.000 0.646 493 V HN 0.528 nan 8.190 nan 0.000 0.447 494 L N 0.440 121.607 121.223 -0.093 0.000 2.023 494 L HA -0.175 4.159 4.340 -0.010 0.000 0.205 494 L C 2.493 179.300 176.870 -0.105 0.000 1.073 494 L CA 2.376 57.146 54.840 -0.117 0.000 0.745 494 L CB -0.272 41.669 42.059 -0.197 0.000 0.900 494 L HN 0.651 nan 8.230 nan 0.000 0.435 495 C N -1.639 117.592 119.300 -0.115 0.000 2.563 495 C HA 0.195 4.649 4.460 -0.010 0.000 0.268 495 C C 1.214 176.187 174.990 -0.028 0.000 1.365 495 C CA -0.254 58.716 59.018 -0.080 0.000 1.754 495 C CB -1.044 26.648 27.740 -0.080 0.000 1.932 495 C HN 0.604 nan 8.230 nan 0.000 0.536 496 N N 1.193 119.887 118.700 -0.010 0.000 2.703 496 N HA 0.276 5.010 4.740 -0.010 0.000 0.283 496 N C -1.638 173.882 175.510 0.018 0.000 1.851 496 N CA -1.643 51.412 53.050 0.009 0.000 0.826 496 N CB 0.718 39.219 38.487 0.022 0.000 1.239 496 N HN 0.263 nan 8.380 nan 0.000 0.495 497 P HA -0.073 nan 4.420 nan 0.000 0.216 497 P C 1.396 178.711 177.300 0.025 0.000 1.150 497 P CA 0.996 64.106 63.100 0.017 0.000 0.837 497 P CB 0.217 31.920 31.700 0.005 0.000 0.786 498 G N 0.560 109.370 108.800 0.016 0.000 2.440 498 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.218 498 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.218 498 G C 1.536 176.445 174.900 0.014 0.000 1.154 498 G CA 0.698 45.805 45.100 0.011 0.000 0.767 498 G HN 0.262 nan 8.290 nan 0.000 0.552 499 L N 1.181 122.415 121.223 0.018 0.000 2.072 499 L HA 0.319 4.653 4.340 -0.010 0.000 0.205 499 L C 3.004 179.907 176.870 0.054 0.000 1.079 499 L CA 1.938 56.788 54.840 0.018 0.000 0.752 499 L CB -0.730 41.339 42.059 0.017 0.000 0.906 499 L HN 0.211 nan 8.230 nan 0.000 0.436 500 A N -0.801 122.072 122.820 0.089 0.000 1.972 500 A HA -0.228 4.086 4.320 -0.010 0.000 0.219 500 A C 2.222 179.908 177.584 0.169 0.000 1.169 500 A CA 1.718 53.862 52.037 0.179 0.000 0.635 500 A CB -0.594 18.504 19.000 0.163 0.000 0.810 500 A HN 0.537 nan 8.150 nan 0.000 0.446 501 E N 0.742 121.000 120.200 0.096 0.000 2.028 501 E HA -0.148 4.196 4.350 -0.010 0.000 0.191 501 E C 1.865 178.506 176.600 0.068 0.000 0.988 501 E CA 1.557 58.002 56.400 0.077 0.000 0.799 501 E CB -0.503 29.224 29.700 0.044 0.000 0.755 501 E HN 0.726 nan 8.360 nan 0.000 0.447 502 I N -1.608 118.996 120.570 0.056 0.000 2.454 502 I HA -0.147 4.017 4.170 -0.010 0.000 0.254 502 I C 2.108 178.293 176.117 0.113 0.000 1.156 502 I CA 1.104 62.449 61.300 0.075 0.000 1.433 502 I CB -0.372 37.656 38.000 0.047 0.000 1.082 502 I HN 0.026 nan 8.210 nan 0.000 0.432 503 I N 1.922 122.538 120.570 0.077 0.000 2.233 503 I HA -0.160 4.003 4.170 -0.010 0.000 0.243 503 I C 3.031 179.111 176.117 -0.061 0.000 1.093 503 I CA 1.242 62.520 61.300 -0.037 0.000 1.380 503 I CB -0.449 37.413 38.000 -0.230 0.000 1.067 503 I HN 0.279 nan 8.210 nan 0.000 0.413 504 A N 0.504 123.382 122.820 0.097 0.000 1.933 504 A HA -0.235 4.078 4.320 -0.010 0.000 0.218 504 A C 2.153 179.772 177.584 0.060 0.000 1.175 504 A CA 1.664 53.804 52.037 0.173 0.000 0.628 504 A CB -0.614 18.511 19.000 0.208 0.000 0.814 504 A HN 0.439 nan 8.150 nan 0.000 0.444 505 E N -0.671 119.545 120.200 0.025 0.000 2.160 505 E HA -0.209 4.135 4.350 -0.010 0.000 0.195 505 E C 2.272 178.839 176.600 -0.054 0.000 0.991 505 E CA 1.234 57.632 56.400 -0.003 0.000 0.810 505 E CB -0.068 29.633 29.700 0.002 0.000 0.742 505 E HN 0.499 nan 8.360 nan 0.000 0.466 506 R N 0.139 120.552 120.500 -0.146 0.000 2.087 506 R HA 0.071 4.405 4.340 -0.010 0.000 0.216 506 R C 2.325 178.549 176.300 -0.127 0.000 1.114 506 R CA 0.922 56.859 56.100 -0.271 0.000 1.002 506 R CB -0.200 29.623 30.300 -0.794 0.000 0.903 506 R HN 0.323 nan 8.270 nan 0.000 0.445 507 I N -2.844 117.669 120.570 -0.094 0.000 4.081 507 I HA 0.436 4.600 4.170 -0.010 0.000 0.333 507 I C 0.381 176.544 176.117 0.076 0.000 1.413 507 I CA 0.013 61.313 61.300 0.001 0.000 1.110 507 I CB 0.807 38.796 38.000 -0.018 0.000 1.082 507 I HN 0.179 nan 8.210 nan 0.000 0.402 508 G N 2.135 110.990 108.800 0.091 0.000 2.660 508 G HA2 -0.202 3.752 3.960 -0.010 0.000 0.247 508 G HA3 -0.202 3.752 3.960 -0.010 0.000 0.247 508 G C -0.088 174.938 174.900 0.210 0.000 1.328 508 G CA 0.108 45.279 45.100 0.119 0.000 0.884 508 G HN 0.444 nan 8.290 nan 0.000 0.531 509 E N -0.389 119.882 120.200 0.119 0.000 2.476 509 E HA 0.081 4.424 4.350 -0.010 0.000 0.199 509 E C 1.831 178.371 176.600 -0.099 0.000 1.021 509 E CA -0.024 56.384 56.400 0.013 0.000 0.907 509 E CB 0.314 30.017 29.700 0.005 0.000 0.974 509 E HN 0.453 nan 8.360 nan 0.000 0.489 510 E N 0.755 120.970 120.200 0.025 0.000 2.209 510 E HA -0.201 4.143 4.350 -0.010 0.000 0.196 510 E C 1.791 178.380 176.600 -0.017 0.000 0.993 510 E CA 1.061 57.471 56.400 0.016 0.000 0.819 510 E CB -0.093 29.643 29.700 0.060 0.000 0.745 510 E HN 0.535 nan 8.360 nan 0.000 0.477 511 Y N -0.859 119.445 120.300 0.006 0.000 2.403 511 Y HA -0.062 4.483 4.550 -0.009 0.000 0.291 511 Y C 2.019 177.895 175.900 -0.040 0.000 1.143 511 Y CA 0.636 58.731 58.100 -0.008 0.000 1.257 511 Y CB -0.856 37.603 38.460 -0.001 0.000 0.984 511 Y HN -0.082 nan 8.280 nan 0.000 0.550 512 I N 0.973 121.044 120.570 -0.831 0.000 2.423 512 I HA -0.249 3.914 4.170 -0.010 0.000 0.254 512 I C 1.617 177.470 176.117 -0.439 0.000 1.151 512 I CA 1.868 62.743 61.300 -0.708 0.000 1.421 512 I CB -0.396 37.111 38.000 -0.822 0.000 1.079 512 I HN 0.506 nan 8.210 nan 0.000 0.431 513 S N -2.193 113.358 115.700 -0.248 0.000 2.749 513 S HA 0.182 4.646 4.470 -0.010 0.000 0.246 513 S C 0.124 174.704 174.600 -0.034 0.000 1.023 513 S CA -0.510 57.619 58.200 -0.118 0.000 1.012 513 S CB 0.389 63.588 63.200 -0.002 0.000 0.942 513 S HN 0.289 nan 8.310 nan 0.000 0.531 514 D N 0.692 121.082 120.400 -0.017 0.000 3.118 514 D HA 0.206 4.839 4.640 -0.010 0.000 0.259 514 D C 0.421 176.762 176.300 0.068 0.000 1.292 514 D CA -0.363 53.652 54.000 0.025 0.000 0.784 514 D CB 0.291 41.111 40.800 0.033 0.000 1.413 514 D HN 0.107 nan 8.370 nan 0.000 0.583 515 L N 1.075 122.341 121.223 0.070 0.000 2.263 515 L HA -0.071 4.263 4.340 -0.010 0.000 0.216 515 L C 1.468 178.391 176.870 0.089 0.000 1.111 515 L CA 1.638 56.550 54.840 0.120 0.000 0.773 515 L CB -0.086 42.035 42.059 0.103 0.000 0.906 515 L HN 0.272 nan 8.230 nan 0.000 0.439 516 D N -0.869 119.560 120.400 0.047 0.000 2.263 516 D HA -0.212 4.422 4.640 -0.010 0.000 0.208 516 D C 1.921 178.243 176.300 0.036 0.000 0.971 516 D CA 0.811 54.825 54.000 0.023 0.000 0.867 516 D CB 0.045 40.846 40.800 0.001 0.000 0.929 516 D HN 0.559 nan 8.370 nan 0.000 0.492 517 Q N -0.024 119.816 119.800 0.066 0.000 2.439 517 Q HA -0.038 4.295 4.340 -0.010 0.000 0.211 517 Q C 2.223 178.244 176.000 0.035 0.000 0.978 517 Q CA 0.195 56.036 55.803 0.065 0.000 0.897 517 Q CB 0.037 28.841 28.738 0.110 0.000 0.956 517 Q HN 0.383 nan 8.270 nan 0.000 0.483 518 L N -0.020 121.218 121.223 0.024 0.000 2.265 518 L HA -0.182 4.152 4.340 -0.010 0.000 0.215 518 L C 2.192 179.058 176.870 -0.006 0.000 1.117 518 L CA 0.868 55.688 54.840 -0.034 0.000 0.782 518 L CB -0.319 41.731 42.059 -0.015 0.000 0.914 518 L HN 0.196 nan 8.230 nan 0.000 0.441 519 R N 0.292 120.799 120.500 0.010 0.000 2.200 519 R HA -0.162 4.172 4.340 -0.010 0.000 0.234 519 R C 2.069 178.375 176.300 0.009 0.000 1.127 519 R CA 0.978 57.085 56.100 0.012 0.000 0.989 519 R CB -0.134 30.170 30.300 0.005 0.000 0.869 519 R HN 0.373 nan 8.270 nan 0.000 0.459 520 K N 0.515 120.921 120.400 0.009 0.000 2.360 520 K HA -0.093 4.221 4.320 -0.010 0.000 0.201 520 K C 1.730 178.364 176.600 0.056 0.000 1.046 520 K CA 0.791 57.089 56.287 0.018 0.000 0.945 520 K CB -0.018 32.500 32.500 0.031 0.000 0.750 520 K HN 0.227 nan 8.250 nan 0.000 0.464 521 L N 0.507 121.757 121.223 0.046 0.000 2.465 521 L HA -0.129 4.205 4.340 -0.010 0.000 0.224 521 L C 1.829 178.763 176.870 0.107 0.000 1.145 521 L CA 0.046 54.935 54.840 0.081 0.000 0.834 521 L CB -0.228 41.838 42.059 0.012 0.000 0.944 521 L HN 0.120 nan 8.230 nan 0.000 0.451 522 L N 0.057 121.309 121.223 0.048 0.000 2.191 522 L HA -0.165 4.169 4.340 -0.010 0.000 0.212 522 L C 2.607 179.460 176.870 -0.028 0.000 1.103 522 L CA 1.773 56.628 54.840 0.025 0.000 0.769 522 L CB -0.717 41.344 42.059 0.005 0.000 0.908 522 L HN 0.337 nan 8.230 nan 0.000 0.438 523 S N -2.831 112.798 115.700 -0.117 0.000 2.650 523 S HA -0.036 4.428 4.470 -0.010 0.000 0.219 523 S C 1.082 175.402 174.600 -0.465 0.000 0.960 523 S CA 0.138 58.167 58.200 -0.285 0.000 0.925 523 S CB -0.479 62.494 63.200 -0.379 0.000 0.775 523 S HN 0.445 nan 8.310 nan 0.000 0.525 524 Y N -0.664 119.571 120.300 -0.108 0.000 2.500 524 Y HA 0.414 4.961 4.550 -0.004 0.000 0.246 524 Y C 1.902 177.840 175.900 0.064 0.000 1.146 524 Y CA -0.649 57.383 58.100 -0.114 0.000 1.230 524 Y CB 0.182 38.360 38.460 -0.469 0.000 1.214 524 Y HN 0.263 nan 8.280 nan 0.000 0.526 525 V N 0.483 120.495 119.914 0.163 0.000 2.688 525 V HA -0.231 3.883 4.120 -0.010 0.000 0.256 525 V C 0.925 177.093 176.094 0.125 0.000 1.084 525 V CA 2.355 64.750 62.300 0.158 0.000 1.103 525 V CB -0.014 31.860 31.823 0.086 0.000 0.688 525 V HN 0.320 nan 8.190 nan 0.000 0.480 526 D N -0.764 119.689 120.400 0.089 0.000 2.398 526 D HA 0.123 4.757 4.640 -0.010 0.000 0.210 526 D C 0.358 176.711 176.300 0.087 0.000 1.094 526 D CA 0.015 54.054 54.000 0.066 0.000 0.839 526 D CB 0.065 40.880 40.800 0.025 0.000 0.963 526 D HN 0.440 nan 8.370 nan 0.000 0.506 527 D N 1.327 121.816 120.400 0.148 0.000 2.336 527 D HA -0.016 4.617 4.640 -0.010 0.000 0.249 527 D C 1.203 177.612 176.300 0.181 0.000 1.213 527 D CA -0.014 54.094 54.000 0.180 0.000 0.870 527 D CB 1.444 42.425 40.800 0.302 0.000 1.076 527 D HN -0.214 nan 8.370 nan 0.000 0.483 528 E N 3.155 123.425 120.200 0.116 0.000 2.118 528 E HA -0.161 4.183 4.350 -0.010 0.000 0.195 528 E C 1.736 178.390 176.600 0.090 0.000 0.992 528 E CA 1.479 57.930 56.400 0.086 0.000 0.804 528 E CB -0.037 29.696 29.700 0.055 0.000 0.741 528 E HN 0.595 nan 8.360 nan 0.000 0.458 529 A N -0.348 122.540 122.820 0.114 0.000 1.873 529 A HA -0.146 4.168 4.320 -0.010 0.000 0.215 529 A C 2.232 179.898 177.584 0.136 0.000 1.186 529 A CA 1.338 53.438 52.037 0.105 0.000 0.616 529 A CB -0.956 18.108 19.000 0.108 0.000 0.823 529 A HN 0.433 nan 8.150 nan 0.000 0.442 530 F N 0.482 120.444 119.950 0.019 0.000 2.102 530 F HA -0.157 4.364 4.527 -0.009 0.000 0.298 530 F C 2.085 177.887 175.800 0.004 0.000 1.105 530 F CA 1.655 59.650 58.000 -0.009 0.000 1.239 530 F CB -0.113 38.889 39.000 0.003 0.000 0.991 530 F HN 0.161 nan 8.300 nan 0.000 0.474 531 I N 0.170 120.765 120.570 0.042 0.000 2.194 531 I HA -0.367 3.796 4.170 -0.010 0.000 0.246 531 I C 2.560 178.618 176.117 -0.100 0.000 1.093 531 I CA 1.709 62.978 61.300 -0.052 0.000 1.355 531 I CB -0.534 37.487 38.000 0.035 0.000 1.046 531 I HN 0.130 nan 8.210 nan 0.000 0.413 532 R N 0.838 121.306 120.500 -0.053 0.000 2.092 532 R HA -0.172 4.162 4.340 -0.010 0.000 0.231 532 R C 1.870 178.116 176.300 -0.091 0.000 1.119 532 R CA 1.673 57.740 56.100 -0.055 0.000 0.970 532 R CB -0.073 30.215 30.300 -0.020 0.000 0.864 532 R HN 0.294 nan 8.270 nan 0.000 0.440 533 D N -0.360 119.964 120.400 -0.125 0.000 2.117 533 D HA -0.112 4.521 4.640 -0.010 0.000 0.198 533 D C 1.910 178.082 176.300 -0.213 0.000 0.982 533 D CA 1.133 55.047 54.000 -0.143 0.000 0.828 533 D CB -0.104 40.625 40.800 -0.119 0.000 0.967 533 D HN 0.077 nan 8.370 nan 0.000 0.464 534 V N 1.546 121.242 119.914 -0.364 0.000 2.295 534 V HA -0.242 3.872 4.120 -0.010 0.000 0.246 534 V C 2.531 178.530 176.094 -0.157 0.000 1.049 534 V CA 1.899 64.000 62.300 -0.331 0.000 1.024 534 V CB -0.782 30.776 31.823 -0.443 0.000 0.648 534 V HN 0.181 nan 8.190 nan 0.000 0.447 535 A N -0.610 122.136 122.820 -0.123 0.000 1.969 535 A HA -0.226 4.087 4.320 -0.010 0.000 0.218 535 A C 2.345 179.888 177.584 -0.068 0.000 1.169 535 A CA 1.980 53.976 52.037 -0.069 0.000 0.635 535 A CB -0.424 18.540 19.000 -0.061 0.000 0.810 535 A HN 0.530 nan 8.150 nan 0.000 0.445 536 K N -0.244 120.112 120.400 -0.074 0.000 2.057 536 K HA -0.057 4.257 4.320 -0.010 0.000 0.206 536 K C 1.792 178.363 176.600 -0.048 0.000 1.050 536 K CA 1.414 57.667 56.287 -0.057 0.000 0.935 536 K CB -0.211 32.258 32.500 -0.051 0.000 0.715 536 K HN 0.221 nan 8.250 nan 0.000 0.439 537 V N 1.767 121.647 119.914 -0.056 0.000 2.343 537 V HA -0.243 3.870 4.120 -0.010 0.000 0.247 537 V C 2.356 178.433 176.094 -0.027 0.000 1.051 537 V CA 1.960 64.237 62.300 -0.039 0.000 1.036 537 V CB -0.442 31.352 31.823 -0.049 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N 0.538 120.919 120.400 -0.032 0.000 2.026 538 K HA -0.218 4.096 4.320 -0.010 0.000 0.208 538 K C 2.170 178.742 176.600 -0.047 0.000 1.048 538 K CA 1.776 58.050 56.287 -0.022 0.000 0.929 538 K CB -0.522 31.977 32.500 -0.001 0.000 0.713 538 K HN 0.373 nan 8.250 nan 0.000 0.439 539 Q N 1.088 120.853 119.800 -0.058 0.000 2.124 539 Q HA -0.131 4.203 4.340 -0.010 0.000 0.202 539 Q C 1.642 177.620 176.000 -0.037 0.000 0.977 539 Q CA 2.006 57.766 55.803 -0.071 0.000 0.850 539 Q CB -0.107 28.592 28.738 -0.065 0.000 0.901 539 Q HN 0.531 nan 8.270 nan 0.000 0.429 540 E N -0.505 119.684 120.200 -0.018 0.000 2.077 540 E HA -0.152 4.191 4.350 -0.010 0.000 0.193 540 E C 1.777 178.398 176.600 0.035 0.000 0.989 540 E CA 0.994 57.399 56.400 0.007 0.000 0.800 540 E CB -0.097 29.606 29.700 0.004 0.000 0.746 540 E HN 0.424 nan 8.360 nan 0.000 0.452 541 N N 1.092 119.810 118.700 0.030 0.000 2.166 541 N HA -0.140 4.594 4.740 -0.010 0.000 0.186 541 N C 1.522 177.109 175.510 0.128 0.000 1.019 541 N CA 1.065 54.154 53.050 0.065 0.000 0.856 541 N CB -0.102 38.407 38.487 0.036 0.000 0.993 541 N HN 0.147 nan 8.380 nan 0.000 0.426 542 K N 0.590 121.032 120.400 0.070 0.000 2.097 542 K HA 0.029 4.343 4.320 -0.010 0.000 0.205 542 K C 2.108 178.842 176.600 0.223 0.000 1.050 542 K CA 0.591 56.947 56.287 0.115 0.000 0.938 542 K CB -0.105 32.200 32.500 -0.325 0.000 0.718 542 K HN 0.115 nan 8.250 nan 0.000 0.442 543 L N 1.132 122.425 121.223 0.117 0.000 2.056 543 L HA -0.177 4.157 4.340 -0.010 0.000 0.207 543 L C 2.617 179.579 176.870 0.155 0.000 1.078 543 L CA 1.245 56.156 54.840 0.118 0.000 0.749 543 L CB -0.312 41.784 42.059 0.061 0.000 0.901 543 L HN 0.161 nan 8.230 nan 0.000 0.433 544 K N -0.176 120.322 120.400 0.163 0.000 2.057 544 K HA -0.237 4.077 4.320 -0.010 0.000 0.207 544 K C 2.197 178.955 176.600 0.263 0.000 1.049 544 K CA 1.593 57.986 56.287 0.178 0.000 0.931 544 K CB -0.161 32.431 32.500 0.154 0.000 0.714 544 K HN 0.072 nan 8.250 nan 0.000 0.440 545 F N 1.203 121.248 119.950 0.159 0.000 2.186 545 F HA -0.010 4.510 4.527 -0.010 0.000 0.299 545 F C 2.004 177.944 175.800 0.235 0.000 1.090 545 F CA 1.126 59.235 58.000 0.182 0.000 1.307 545 F CB -0.464 38.642 39.000 0.176 0.000 1.019 545 F HN 0.090 nan 8.300 nan 0.000 0.489 546 A N 0.085 123.060 122.820 0.259 0.000 1.972 546 A HA -0.058 4.256 4.320 -0.010 0.000 0.219 546 A C 2.372 179.987 177.584 0.052 0.000 1.169 546 A CA 1.733 53.856 52.037 0.144 0.000 0.635 546 A CB -1.390 17.755 19.000 0.242 0.000 0.810 546 A HN 0.441 nan 8.150 nan 0.000 0.446 547 A N -1.691 121.178 122.820 0.081 0.000 1.930 547 A HA 0.016 4.330 4.320 -0.010 0.000 0.215 547 A C 2.084 179.688 177.584 0.033 0.000 1.176 547 A CA 1.379 53.445 52.037 0.048 0.000 0.632 547 A CB -0.728 18.310 19.000 0.063 0.000 0.819 547 A HN 0.705 nan 8.150 nan 0.000 0.445 548 Y N 0.796 121.046 120.300 -0.084 0.000 2.224 548 Y HA -0.163 4.381 4.550 -0.010 0.000 0.289 548 Y C 1.838 177.652 175.900 -0.142 0.000 1.146 548 Y CA 1.703 59.738 58.100 -0.108 0.000 1.182 548 Y CB -0.310 38.093 38.460 -0.096 0.000 0.983 548 Y HN 0.210 nan 8.280 nan 0.000 0.524 549 L N 0.005 121.221 121.223 -0.011 0.000 2.083 549 L HA -0.215 4.118 4.340 -0.010 0.000 0.209 549 L C 2.235 179.111 176.870 0.009 0.000 1.083 549 L CA 1.833 56.676 54.840 0.005 0.000 0.752 549 L CB -0.465 41.522 42.059 -0.119 0.000 0.899 549 L HN 0.337 nan 8.230 nan 0.000 0.433 550 E N -0.569 119.617 120.200 -0.023 0.000 2.170 550 E HA -0.101 4.243 4.350 -0.010 0.000 0.191 550 E C 2.254 178.812 176.600 -0.071 0.000 0.981 550 E CA 0.281 56.682 56.400 0.002 0.000 0.830 550 E CB 0.120 29.822 29.700 0.004 0.000 0.775 550 E HN 0.428 nan 8.360 nan 0.000 0.470 551 R N 1.052 121.460 120.500 -0.153 0.000 2.082 551 R HA -0.134 4.199 4.340 -0.010 0.000 0.228 551 R C 1.908 178.021 176.300 -0.311 0.000 1.140 551 R CA 1.442 57.415 56.100 -0.212 0.000 0.920 551 R CB -0.089 30.066 30.300 -0.241 0.000 0.828 551 R HN -0.016 nan 8.270 nan 0.000 0.430 552 E N -1.328 118.531 120.200 -0.569 0.000 2.442 552 E HA -0.023 4.320 4.350 -0.010 0.000 0.195 552 E C 0.262 176.372 176.600 -0.817 0.000 1.030 552 E CA 0.675 56.620 56.400 -0.759 0.000 0.869 552 E CB 0.465 29.477 29.700 -1.146 0.000 0.857 552 E HN 0.371 nan 8.360 nan 0.000 0.505 553 Y N -0.251 119.958 120.300 -0.152 0.000 2.610 553 Y HA 0.258 4.802 4.550 -0.011 0.000 0.254 553 Y C -0.325 175.558 175.900 -0.027 0.000 1.110 553 Y CA -0.773 57.293 58.100 -0.056 0.000 1.238 553 Y CB 0.681 39.127 38.460 -0.024 0.000 1.322 553 Y HN -0.315 nan 8.280 nan 0.000 0.547 554 K N 1.415 121.857 120.400 0.070 0.000 4.838 554 K HA -0.107 4.207 4.320 -0.010 0.000 0.300 554 K C -0.899 175.762 176.600 0.103 0.000 0.861 554 K CA 0.888 57.225 56.287 0.084 0.000 0.929 554 K CB -1.662 30.874 32.500 0.060 0.000 1.772 554 K HN 0.265 nan 8.250 nan 0.000 0.422 555 V N -1.373 118.625 119.914 0.140 0.000 2.752 555 V HA 0.380 4.494 4.120 -0.010 0.000 0.302 555 V C -0.017 176.204 176.094 0.212 0.000 1.133 555 V CA -1.023 61.337 62.300 0.099 0.000 0.919 555 V CB 1.709 33.560 31.823 0.046 0.000 1.026 555 V HN 0.509 nan 8.190 nan 0.000 0.429 556 H N 5.403 124.465 119.070 -0.013 0.000 2.548 556 H HA 0.829 5.379 4.556 -0.010 0.000 0.331 556 H C -0.121 175.197 175.328 -0.016 0.000 1.093 556 H CA -0.305 55.737 56.048 -0.010 0.000 1.367 556 H CB 2.007 31.765 29.762 -0.006 0.000 1.455 556 H HN 0.906 nan 8.280 nan 0.000 0.519 557 I N -0.224 120.420 120.570 0.122 0.000 2.894 557 I HA 0.335 4.499 4.170 -0.010 0.000 0.302 557 I C -0.975 175.212 176.117 0.117 0.000 1.188 557 I CA -1.309 60.040 61.300 0.081 0.000 1.014 557 I CB 2.382 40.397 38.000 0.024 0.000 1.242 557 I HN 0.374 nan 8.210 nan 0.000 0.430 558 N N 5.088 123.866 118.700 0.129 0.000 2.415 558 N HA 0.426 5.160 4.740 -0.010 0.000 0.246 558 N C -2.043 173.603 175.510 0.227 0.000 1.078 558 N CA -2.205 50.928 53.050 0.138 0.000 0.942 558 N CB 1.169 39.712 38.487 0.094 0.000 1.140 558 N HN 0.369 nan 8.380 nan 0.000 0.501 559 P HA -0.050 nan 4.420 nan 0.000 0.223 559 P C 0.076 177.365 177.300 -0.019 0.000 1.144 559 P CA 1.157 64.337 63.100 0.133 0.000 0.783 559 P CB 0.152 31.904 31.700 0.086 0.000 0.771 560 N N -1.209 117.511 118.700 0.033 0.000 2.422 560 N HA -0.001 4.733 4.740 -0.010 0.000 0.181 560 N C 0.534 176.070 175.510 0.044 0.000 1.080 560 N CA -0.087 52.971 53.050 0.015 0.000 0.893 560 N CB 0.060 38.566 38.487 0.033 0.000 0.973 560 N HN 0.204 nan 8.380 nan 0.000 0.456 561 S N 0.437 116.178 115.700 0.067 0.000 2.624 561 S HA 0.187 4.651 4.470 -0.010 0.000 0.263 561 S C 0.014 174.573 174.600 -0.069 0.000 1.287 561 S CA -0.834 57.390 58.200 0.040 0.000 0.990 561 S CB 1.168 64.424 63.200 0.093 0.000 0.950 561 S HN 0.169 nan 8.310 nan 0.000 0.561 562 L N 1.834 122.863 121.223 -0.322 0.000 2.360 562 L HA 0.397 4.731 4.340 -0.010 0.000 0.276 562 L C -0.931 175.913 176.870 -0.042 0.000 1.121 562 L CA -0.637 53.821 54.840 -0.636 0.000 0.845 562 L CB -0.130 41.250 42.059 -1.132 0.000 1.143 562 L HN 0.711 nan 8.230 nan 0.000 0.452 563 F N 4.230 124.047 119.950 -0.222 0.000 2.405 563 F HA 0.100 4.622 4.527 -0.009 0.000 0.358 563 F C 0.421 176.155 175.800 -0.110 0.000 1.151 563 F CA -0.823 57.116 58.000 -0.102 0.000 1.161 563 F CB 0.566 39.555 39.000 -0.019 0.000 1.245 563 F HN 0.531 nan 8.300 nan 0.000 0.545 564 D N 4.915 125.324 120.400 0.014 0.000 2.396 564 D HA 0.250 4.884 4.640 -0.010 0.000 0.225 564 D C -1.007 175.240 176.300 -0.088 0.000 1.121 564 D CA -0.052 53.910 54.000 -0.062 0.000 0.853 564 D CB 1.353 42.100 40.800 -0.087 0.000 1.043 564 D HN 0.271 nan 8.370 nan 0.000 0.500 565 V N 2.567 122.411 119.914 -0.116 0.000 2.735 565 V HA 0.596 4.710 4.120 -0.010 0.000 0.310 565 V C -1.409 174.540 176.094 -0.241 0.000 1.061 565 V CA -0.695 61.517 62.300 -0.145 0.000 0.913 565 V CB 1.933 33.724 31.823 -0.053 0.000 1.005 565 V HN 0.514 nan 8.190 nan 0.000 0.428 566 Q N 4.213 123.883 119.800 -0.216 0.000 2.397 566 Q HA 0.666 5.000 4.340 -0.010 0.000 0.260 566 Q C -1.496 174.339 176.000 -0.276 0.000 1.002 566 Q CA -0.630 55.029 55.803 -0.239 0.000 0.716 566 Q CB 1.921 30.546 28.738 -0.189 0.000 1.258 566 Q HN 1.190 nan 8.270 nan 0.000 0.477 567 V N 1.765 121.501 119.914 -0.297 0.000 2.487 567 V HA 0.878 4.992 4.120 -0.010 0.000 0.298 567 V C -0.879 174.942 176.094 -0.456 0.000 1.028 567 V CA -0.545 61.392 62.300 -0.606 0.000 0.860 567 V CB 1.335 32.554 31.823 -1.006 0.000 0.991 567 V HN 0.833 nan 8.190 nan 0.000 0.427 568 K N 2.445 122.619 120.400 -0.377 0.000 3.040 568 K HA 0.369 4.683 4.320 -0.010 0.000 0.300 568 K C -1.320 175.278 176.600 -0.002 0.000 1.092 568 K CA -1.129 55.121 56.287 -0.062 0.000 0.831 568 K CB 0.874 33.326 32.500 -0.079 0.000 1.469 568 K HN 0.489 nan 8.250 nan 0.000 0.365 569 R N 0.896 121.445 120.500 0.082 0.000 2.698 569 R HA 0.172 4.506 4.340 -0.010 0.000 0.266 569 R C 0.393 176.719 176.300 0.044 0.000 1.026 569 R CA -0.310 55.853 56.100 0.104 0.000 1.102 569 R CB -0.152 30.235 30.300 0.146 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 3.973 124.580 120.570 0.062 0.000 2.452 570 I HA 0.105 4.269 4.170 -0.010 0.000 0.287 570 I C 0.762 176.879 176.117 -0.001 0.000 1.079 570 I CA 0.549 61.843 61.300 -0.011 0.000 1.387 570 I CB -0.237 37.744 38.000 -0.032 0.000 1.404 570 I HN 0.359 nan 8.210 nan 0.000 0.522 571 H N 5.040 124.014 119.070 -0.160 0.000 3.046 571 H HA 0.231 4.780 4.556 -0.010 0.000 0.361 571 H C 0.324 175.539 175.328 -0.188 0.000 1.235 571 H CA -0.382 55.617 56.048 -0.081 0.000 1.146 571 H CB 1.897 31.594 29.762 -0.109 0.000 1.859 571 H HN 0.587 nan 8.280 nan 0.000 0.548 572 E N 1.770 122.027 120.200 0.096 0.000 2.110 572 E HA -0.211 4.133 4.350 -0.010 0.000 0.193 572 E C 1.344 177.779 176.600 -0.274 0.000 0.988 572 E CA 1.615 58.048 56.400 0.054 0.000 0.804 572 E CB -0.021 29.875 29.700 0.327 0.000 0.745 572 E HN 0.561 nan 8.360 nan 0.000 0.458 573 Y N 0.889 120.821 120.300 -0.614 0.000 2.352 573 Y HA 0.005 4.548 4.550 -0.011 0.000 0.292 573 Y C 1.502 177.138 175.900 -0.440 0.000 1.136 573 Y CA 0.792 58.219 58.100 -1.121 0.000 1.227 573 Y CB -0.104 37.684 38.460 -1.121 0.000 0.991 573 Y HN -0.216 nan 8.280 nan 0.000 0.545 574 K N 0.788 120.710 120.400 -0.797 0.000 2.432 574 K HA 0.050 4.364 4.320 -0.010 0.000 0.196 574 K C 0.123 176.553 176.600 -0.283 0.000 1.038 574 K CA 0.544 56.489 56.287 -0.569 0.000 0.986 574 K CB -0.071 32.080 32.500 -0.582 0.000 0.782 574 K HN 0.267 nan 8.250 nan 0.000 0.485 575 R N 0.479 120.843 120.500 -0.226 0.000 3.336 575 R HA -0.229 4.105 4.340 -0.010 0.000 0.260 575 R C 0.242 176.465 176.300 -0.128 0.000 1.032 575 R CA 0.198 56.217 56.100 -0.134 0.000 0.693 575 R CB -1.842 28.396 30.300 -0.102 0.000 1.134 575 R HN 0.297 nan 8.270 nan 0.000 0.433 576 Q N 0.300 120.022 119.800 -0.129 0.000 2.291 576 Q HA -0.033 4.301 4.340 -0.010 0.000 0.206 576 Q C 2.011 177.961 176.000 -0.083 0.000 0.976 576 Q CA 1.261 57.000 55.803 -0.107 0.000 0.875 576 Q CB 0.051 28.729 28.738 -0.100 0.000 0.927 576 Q HN 0.582 nan 8.270 nan 0.000 0.450 577 L N -0.620 120.558 121.223 -0.075 0.000 2.093 577 L HA -0.170 4.164 4.340 -0.010 0.000 0.208 577 L C 1.963 178.832 176.870 -0.003 0.000 1.085 577 L CA 0.517 55.327 54.840 -0.050 0.000 0.755 577 L CB -0.301 41.739 42.059 -0.031 0.000 0.904 577 L HN 0.313 nan 8.230 nan 0.000 0.435 578 L N -0.065 121.147 121.223 -0.018 0.000 2.093 578 L HA -0.220 4.114 4.340 -0.010 0.000 0.208 578 L C 1.997 178.909 176.870 0.070 0.000 1.085 578 L CA 1.842 56.681 54.840 -0.002 0.000 0.755 578 L CB -0.796 41.149 42.059 -0.190 0.000 0.904 578 L HN 0.278 nan 8.230 nan 0.000 0.435 579 N N -1.681 117.031 118.700 0.020 0.000 2.120 579 N HA -0.227 4.506 4.740 -0.010 0.000 0.188 579 N C 1.928 177.517 175.510 0.130 0.000 1.024 579 N CA 1.571 54.709 53.050 0.146 0.000 0.852 579 N CB -0.130 38.377 38.487 0.034 0.000 1.003 579 N HN 0.488 nan 8.380 nan 0.000 0.424 580 C N 0.581 119.894 119.300 0.022 0.000 2.413 580 C HA -0.068 4.386 4.460 -0.010 0.000 0.276 580 C C 2.589 177.570 174.990 -0.015 0.000 1.248 580 C CA 0.373 59.358 59.018 -0.055 0.000 1.742 580 C CB -1.253 26.402 27.740 -0.141 0.000 2.017 580 C HN 0.509 nan 8.230 nan 0.000 0.481 581 L N -0.368 120.906 121.223 0.085 0.000 2.083 581 L HA -0.200 4.134 4.340 -0.010 0.000 0.209 581 L C 2.751 179.769 176.870 0.248 0.000 1.083 581 L CA 1.779 56.715 54.840 0.160 0.000 0.752 581 L CB -1.029 41.191 42.059 0.269 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N -0.054 119.125 119.070 0.183 0.000 2.326 582 H HA -0.136 4.414 4.556 -0.011 0.000 0.301 582 H C 2.255 177.580 175.328 -0.005 0.000 1.081 582 H CA 1.893 57.977 56.048 0.060 0.000 1.334 582 H CB 0.317 30.059 29.762 -0.032 0.000 1.385 582 H HN 0.087 nan 8.280 nan 0.000 0.504 583 V N 1.714 121.549 119.914 -0.131 0.000 2.282 583 V HA -0.294 3.820 4.120 -0.010 0.000 0.249 583 V C 2.832 178.849 176.094 -0.128 0.000 1.057 583 V CA 2.001 64.183 62.300 -0.198 0.000 1.032 583 V CB -0.539 31.212 31.823 -0.121 0.000 0.645 583 V HN 0.412 nan 8.190 nan 0.000 0.447 584 I N -0.224 120.303 120.570 -0.070 0.000 2.361 584 I HA -0.213 3.951 4.170 -0.010 0.000 0.251 584 I C 2.481 178.639 176.117 0.069 0.000 1.133 584 I CA 1.663 62.980 61.300 0.029 0.000 1.413 584 I CB -0.695 37.300 38.000 -0.008 0.000 1.073 584 I HN 0.337 nan 8.210 nan 0.000 0.424 585 T N 1.224 115.781 114.554 0.006 0.000 2.708 585 T HA -0.139 4.205 4.350 -0.010 0.000 0.266 585 T C 1.887 176.541 174.700 -0.077 0.000 1.037 585 T CA 1.171 63.271 62.100 0.001 0.000 1.146 585 T CB -0.241 68.658 68.868 0.052 0.000 0.865 585 T HN 0.085 nan 8.240 nan 0.000 0.435 586 L N 0.135 121.242 121.223 -0.194 0.000 2.046 586 L HA -0.023 4.311 4.340 -0.010 0.000 0.208 586 L C 2.088 178.913 176.870 -0.075 0.000 1.077 586 L CA 1.560 56.281 54.840 -0.198 0.000 0.747 586 L CB -0.924 40.944 42.059 -0.319 0.000 0.896 586 L HN 0.366 nan 8.230 nan 0.000 0.432 587 Y N 0.022 120.251 120.300 -0.117 0.000 2.200 587 Y HA -0.245 4.299 4.550 -0.011 0.000 0.290 587 Y C 2.413 178.286 175.900 -0.045 0.000 1.137 587 Y CA 1.710 59.778 58.100 -0.052 0.000 1.163 587 Y CB -0.073 38.397 38.460 0.016 0.000 0.988 587 Y HN 0.259 nan 8.280 nan 0.000 0.518 588 N N 0.461 119.124 118.700 -0.062 0.000 2.188 588 N HA -0.131 4.603 4.740 -0.010 0.000 0.184 588 N C 1.815 177.218 175.510 -0.178 0.000 1.018 588 N CA 1.392 54.345 53.050 -0.161 0.000 0.858 588 N CB -0.336 38.112 38.487 -0.066 0.000 0.989 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.449 120.868 120.500 -0.134 0.000 2.092 589 R HA 0.071 4.404 4.340 -0.010 0.000 0.231 589 R C 2.216 178.430 176.300 -0.143 0.000 1.119 589 R CA 0.755 56.783 56.100 -0.120 0.000 0.970 589 R CB -0.237 30.003 30.300 -0.101 0.000 0.864 589 R HN 0.243 nan 8.270 nan 0.000 0.440 590 I N 0.951 121.412 120.570 -0.181 0.000 2.252 590 I HA -0.259 3.905 4.170 -0.010 0.000 0.245 590 I C 2.096 178.091 176.117 -0.202 0.000 1.102 590 I CA 1.167 62.358 61.300 -0.181 0.000 1.385 590 I CB -0.193 37.696 38.000 -0.186 0.000 1.064 590 I HN 0.038 nan 8.210 nan 0.000 0.414 591 K N 0.912 121.129 120.400 -0.305 0.000 2.147 591 K HA -0.198 4.115 4.320 -0.010 0.000 0.205 591 K C 1.997 178.500 176.600 -0.163 0.000 1.049 591 K CA 1.150 57.274 56.287 -0.272 0.000 0.936 591 K CB -0.304 31.963 32.500 -0.388 0.000 0.722 591 K HN 0.337 nan 8.250 nan 0.000 0.446 592 K N 1.203 121.515 120.400 -0.147 0.000 2.062 592 K HA -0.087 4.227 4.320 -0.010 0.000 0.205 592 K C 0.058 176.612 176.600 -0.077 0.000 1.051 592 K CA 1.094 57.322 56.287 -0.099 0.000 0.941 592 K CB 0.324 32.770 32.500 -0.091 0.000 0.719 592 K HN 0.074 nan 8.250 nan 0.000 0.440 593 E N 0.299 120.451 120.200 -0.079 0.000 3.303 593 E HA 0.122 4.466 4.350 -0.010 0.000 0.215 593 E C -2.331 174.233 176.600 -0.060 0.000 1.181 593 E CA -1.657 54.708 56.400 -0.057 0.000 0.998 593 E CB 1.689 31.362 29.700 -0.046 0.000 1.312 593 E HN 0.138 nan 8.360 nan 0.000 0.412 594 P HA -0.189 nan 4.420 nan 0.000 0.216 594 P C 0.217 177.497 177.300 -0.033 0.000 1.154 594 P CA 1.329 64.396 63.100 -0.056 0.000 0.865 594 P CB 0.169 31.840 31.700 -0.047 0.000 0.789 595 N N -1.165 117.526 118.700 -0.016 0.000 2.346 595 N HA 0.018 4.752 4.740 -0.010 0.000 0.225 595 N C 0.331 175.855 175.510 0.024 0.000 1.144 595 N CA 0.024 53.077 53.050 0.006 0.000 0.837 595 N CB -0.089 38.402 38.487 0.007 0.000 1.069 595 N HN 0.024 nan 8.380 nan 0.000 0.487 596 K N 1.094 121.501 120.400 0.012 0.000 2.159 596 K HA 0.183 4.497 4.320 -0.010 0.000 0.266 596 K C -0.934 175.701 176.600 0.057 0.000 0.975 596 K CA -0.645 55.664 56.287 0.037 0.000 0.865 596 K CB 0.722 33.224 32.500 0.003 0.000 1.087 596 K HN -0.027 nan 8.250 nan 0.000 0.446 597 F N 4.349 124.285 119.950 -0.023 0.000 2.471 597 F HA 0.254 4.774 4.527 -0.011 0.000 0.353 597 F C -0.387 175.398 175.800 -0.024 0.000 1.113 597 F CA 0.035 58.022 58.000 -0.021 0.000 1.262 597 F CB 0.663 39.653 39.000 -0.015 0.000 1.146 597 F HN 0.203 nan 8.300 nan 0.000 0.578 598 V N 3.719 122.978 119.914 -1.092 0.000 2.932 598 V HA 0.493 4.606 4.120 -0.010 0.000 0.307 598 V C -0.916 174.565 176.094 -1.022 0.000 1.147 598 V CA -1.261 60.583 62.300 -0.760 0.000 0.951 598 V CB 0.836 32.431 31.823 -0.380 0.000 1.031 598 V HN 0.609 nan 8.190 nan 0.000 0.426 599 V N 4.463 124.056 119.914 -0.535 0.000 2.493 599 V HA 0.195 4.309 4.120 -0.010 0.000 0.292 599 V C -1.819 174.114 176.094 -0.267 0.000 1.016 599 V CA -0.400 61.725 62.300 -0.291 0.000 1.097 599 V CB 0.435 32.208 31.823 -0.084 0.000 0.947 599 V HN 0.898 nan 8.190 nan 0.000 0.479 600 P HA 0.303 nan 4.420 nan 0.000 0.268 600 P C -0.373 176.841 177.300 -0.144 0.000 1.205 600 P CA 0.036 63.051 63.100 -0.142 0.000 0.771 600 P CB 0.512 32.178 31.700 -0.058 0.000 0.858 601 R N 1.038 121.468 120.500 -0.118 0.000 2.725 601 R HA 0.573 4.907 4.340 -0.010 0.000 0.277 601 R C -0.939 175.327 176.300 -0.058 0.000 0.987 601 R CA -0.654 55.379 56.100 -0.111 0.000 0.901 601 R CB 2.097 32.313 30.300 -0.140 0.000 1.207 601 R HN 0.277 nan 8.270 nan 0.000 0.463 602 T N 1.872 116.407 114.554 -0.031 0.000 2.864 602 T HA 0.247 4.591 4.350 -0.010 0.000 0.310 602 T C -0.442 174.184 174.700 -0.123 0.000 1.040 602 T CA -0.474 61.575 62.100 -0.086 0.000 0.977 602 T CB 1.204 69.972 68.868 -0.167 0.000 0.976 602 T HN 0.137 nan 8.240 nan 0.000 0.459 603 V N 5.826 125.673 119.914 -0.112 0.000 2.385 603 V HA 0.427 4.541 4.120 -0.010 0.000 0.269 603 V C 0.080 176.101 176.094 -0.122 0.000 1.043 603 V CA -0.367 61.869 62.300 -0.106 0.000 0.906 603 V CB 0.725 32.498 31.823 -0.083 0.000 0.995 603 V HN 0.847 nan 8.190 nan 0.000 0.467 604 M N 6.668 126.185 119.600 -0.138 0.000 2.243 604 M HA 0.610 5.084 4.480 -0.010 0.000 0.324 604 M C -0.997 175.196 176.300 -0.179 0.000 1.031 604 M CA -0.158 55.049 55.300 -0.154 0.000 0.949 604 M CB 1.957 34.465 32.600 -0.153 0.000 1.615 604 M HN 0.425 nan 8.290 nan 0.000 0.430 605 I N 1.918 122.359 120.570 -0.216 0.000 2.498 605 I HA 0.823 4.987 4.170 -0.010 0.000 0.290 605 I C 0.052 175.829 176.117 -0.567 0.000 1.032 605 I CA -0.651 60.488 61.300 -0.268 0.000 1.073 605 I CB 2.313 40.242 38.000 -0.117 0.000 1.251 605 I HN 0.799 nan 8.210 nan 0.000 0.426 606 G N 2.968 111.409 108.800 -0.599 0.000 2.690 606 G HA2 0.829 4.783 3.960 -0.010 0.000 0.293 606 G HA3 0.829 4.783 3.960 -0.010 0.000 0.293 606 G C -1.027 173.576 174.900 -0.495 0.000 1.399 606 G CA -0.758 43.848 45.100 -0.824 0.000 0.890 606 G HN 0.990 nan 8.290 nan 0.000 0.485 607 G N -0.335 108.327 108.800 -0.231 0.000 2.352 607 G HA2 0.413 4.366 3.960 -0.010 0.000 0.303 607 G HA3 0.413 4.366 3.960 -0.010 0.000 0.303 607 G C -1.250 173.787 174.900 0.228 0.000 1.593 607 G CA -1.021 44.115 45.100 0.060 0.000 0.963 607 G HN 0.613 nan 8.290 nan 0.000 0.685 608 K N -0.188 120.347 120.400 0.225 0.000 2.098 608 K HA 0.784 5.097 4.320 -0.010 0.000 0.258 608 K C 0.204 176.953 176.600 0.248 0.000 0.973 608 K CA -0.239 56.204 56.287 0.260 0.000 0.898 608 K CB 2.080 34.650 32.500 0.117 0.000 1.057 608 K HN 0.889 nan 8.250 nan 0.000 0.447 609 A N 1.150 124.150 122.820 0.299 0.000 2.337 609 A HA 0.660 4.974 4.320 -0.010 0.000 0.329 609 A C -0.580 177.194 177.584 0.317 0.000 1.146 609 A CA -0.769 51.394 52.037 0.209 0.000 0.800 609 A CB 1.151 20.189 19.000 0.063 0.000 1.220 609 A HN 0.762 nan 8.150 nan 0.000 0.472 610 A N 3.320 126.320 122.820 0.301 0.000 2.511 610 A HA 0.479 4.792 4.320 -0.010 0.000 0.242 610 A C -1.393 176.300 177.584 0.182 0.000 1.069 610 A CA -0.800 51.412 52.037 0.293 0.000 0.763 610 A CB -0.396 18.752 19.000 0.246 0.000 1.001 610 A HN 0.599 nan 8.150 nan 0.000 0.498 611 P HA -0.173 nan 4.420 nan 0.000 0.217 611 P C 1.287 178.593 177.300 0.010 0.000 1.151 611 P CA 2.116 65.186 63.100 -0.050 0.000 0.849 611 P CB 0.205 31.830 31.700 -0.126 0.000 0.787 612 G N -3.178 105.652 108.800 0.049 0.000 3.189 612 G HA2 -0.061 3.892 3.960 -0.010 0.000 0.225 612 G HA3 -0.061 3.892 3.960 -0.010 0.000 0.225 612 G C -0.270 174.679 174.900 0.081 0.000 1.159 612 G CA -0.132 44.997 45.100 0.048 0.000 0.763 612 G HN 0.310 nan 8.290 nan 0.000 0.549 613 Y N 1.719 121.976 120.300 -0.072 0.000 2.691 613 Y HA 0.182 4.726 4.550 -0.011 0.000 0.338 613 Y C 1.646 177.527 175.900 -0.031 0.000 1.148 613 Y CA -1.076 56.956 58.100 -0.113 0.000 1.430 613 Y CB 0.109 38.472 38.460 -0.162 0.000 1.303 613 Y HN 0.317 nan 8.280 nan 0.000 0.499 614 H N 4.106 123.285 119.070 0.182 0.000 2.289 614 H HA -0.244 4.306 4.556 -0.010 0.000 0.296 614 H C 1.848 177.186 175.328 0.018 0.000 1.091 614 H CA 2.470 58.568 56.048 0.084 0.000 1.274 614 H CB 0.321 30.131 29.762 0.080 0.000 1.364 614 H HN 0.725 nan 8.280 nan 0.000 0.490 615 M N 1.090 120.649 119.600 -0.068 0.000 2.108 615 M HA -0.110 4.364 4.480 -0.010 0.000 0.261 615 M C 2.549 178.577 176.300 -0.453 0.000 1.066 615 M CA 1.946 57.117 55.300 -0.215 0.000 1.107 615 M CB -0.786 31.823 32.600 0.016 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.526 121.772 122.820 -0.871 0.000 1.933 616 A HA -0.187 4.127 4.320 -0.010 0.000 0.218 616 A C 2.206 179.571 177.584 -0.364 0.000 1.175 616 A CA 1.850 53.426 52.037 -0.768 0.000 0.628 616 A CB -0.651 17.691 19.000 -1.097 0.000 0.814 616 A HN 0.595 nan 8.150 nan 0.000 0.444 617 K N -1.139 119.098 120.400 -0.272 0.000 2.155 617 K HA -0.014 4.299 4.320 -0.010 0.000 0.203 617 K C 1.819 178.355 176.600 -0.107 0.000 1.052 617 K CA 1.098 57.319 56.287 -0.111 0.000 0.948 617 K CB -0.169 32.330 32.500 -0.002 0.000 0.728 617 K HN 0.350 nan 8.250 nan 0.000 0.448 618 M N 0.364 119.844 119.600 -0.199 0.000 2.319 618 M HA -0.040 4.434 4.480 -0.010 0.000 0.265 618 M C 2.017 178.242 176.300 -0.124 0.000 1.068 618 M CA 1.272 56.500 55.300 -0.120 0.000 1.118 618 M CB -0.469 32.045 32.600 -0.142 0.000 1.395 618 M HN 0.121 nan 8.290 nan 0.000 0.435 619 I N -0.224 120.235 120.570 -0.185 0.000 2.315 619 I HA -0.271 3.893 4.170 -0.010 0.000 0.248 619 I C 2.231 178.219 176.117 -0.214 0.000 1.117 619 I CA 0.942 62.128 61.300 -0.190 0.000 1.404 619 I CB -0.207 37.679 38.000 -0.189 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.653 121.079 120.570 -0.239 0.000 2.252 620 I HA -0.284 3.880 4.170 -0.010 0.000 0.245 620 I C 2.575 178.417 176.117 -0.458 0.000 1.102 620 I CA 1.139 62.215 61.300 -0.374 0.000 1.385 620 I CB -0.271 37.486 38.000 -0.405 0.000 1.064 620 I HN 0.135 nan 8.210 nan 0.000 0.414 621 K N 1.598 121.735 120.400 -0.438 0.000 2.097 621 K HA -0.150 4.164 4.320 -0.010 0.000 0.206 621 K C 2.028 178.460 176.600 -0.280 0.000 1.049 621 K CA 1.506 57.450 56.287 -0.571 0.000 0.933 621 K CB -0.565 31.330 32.500 -1.009 0.000 0.717 621 K HN 0.238 nan 8.250 nan 0.000 0.442 622 L N 0.307 121.390 121.223 -0.233 0.000 2.046 622 L HA -0.147 4.187 4.340 -0.010 0.000 0.208 622 L C 2.170 178.794 176.870 -0.409 0.000 1.077 622 L CA 1.558 56.090 54.840 -0.513 0.000 0.747 622 L CB -0.240 41.437 42.059 -0.638 0.000 0.896 622 L HN 0.263 nan 8.230 nan 0.000 0.432 623 I N -0.208 120.180 120.570 -0.305 0.000 2.179 623 I HA -0.326 3.838 4.170 -0.010 0.000 0.242 623 I C 2.601 178.608 176.117 -0.183 0.000 1.088 623 I CA 1.937 63.111 61.300 -0.210 0.000 1.357 623 I CB -0.588 37.374 38.000 -0.064 0.000 1.051 623 I HN 0.426 nan 8.210 nan 0.000 0.409 624 T N -0.895 113.523 114.554 -0.227 0.000 2.867 624 T HA -0.031 4.313 4.350 -0.010 0.000 0.268 624 T C 1.963 176.592 174.700 -0.118 0.000 1.057 624 T CA 0.880 62.879 62.100 -0.169 0.000 1.136 624 T CB -0.396 68.327 68.868 -0.241 0.000 0.874 624 T HN 0.337 nan 8.240 nan 0.000 0.466 625 A N 1.492 124.236 122.820 -0.127 0.000 1.930 625 A HA 0.169 4.483 4.320 -0.010 0.000 0.217 625 A C 2.366 179.946 177.584 -0.006 0.000 1.175 625 A CA 1.144 53.172 52.037 -0.014 0.000 0.627 625 A CB -0.782 18.299 19.000 0.134 0.000 0.815 625 A HN 0.576 nan 8.150 nan 0.000 0.443 626 I N -0.343 120.106 120.570 -0.202 0.000 2.226 626 I HA -0.192 3.972 4.170 -0.010 0.000 0.245 626 I C 2.706 178.763 176.117 -0.099 0.000 1.100 626 I CA 1.122 62.255 61.300 -0.280 0.000 1.374 626 I CB -0.593 37.131 38.000 -0.461 0.000 1.057 626 I HN 0.397 nan 8.210 nan 0.000 0.413 627 G N 0.394 109.142 108.800 -0.087 0.000 2.418 627 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.217 627 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.217 627 G C 1.246 176.166 174.900 0.033 0.000 1.158 627 G CA 0.914 45.988 45.100 -0.043 0.000 0.771 627 G HN 0.275 nan 8.290 nan 0.000 0.545 628 D N 0.070 120.514 120.400 0.073 0.000 2.149 628 D HA -0.097 4.537 4.640 -0.010 0.000 0.198 628 D C 2.704 179.133 176.300 0.216 0.000 0.990 628 D CA 0.800 54.898 54.000 0.164 0.000 0.839 628 D CB -0.227 40.605 40.800 0.052 0.000 0.948 628 D HN 0.254 nan 8.370 nan 0.000 0.460 629 V N 0.095 120.077 119.914 0.114 0.000 2.331 629 V HA -0.135 3.978 4.120 -0.010 0.000 0.242 629 V C 2.607 178.706 176.094 0.009 0.000 1.034 629 V CA 0.747 63.078 62.300 0.052 0.000 1.027 629 V CB -0.345 31.512 31.823 0.057 0.000 0.667 629 V HN 0.026 nan 8.190 nan 0.000 0.457 630 V N 1.053 120.910 119.914 -0.096 0.000 2.295 630 V HA -0.226 3.888 4.120 -0.010 0.000 0.246 630 V C 2.185 178.277 176.094 -0.004 0.000 1.049 630 V CA 2.139 64.375 62.300 -0.106 0.000 1.024 630 V CB -0.912 30.827 31.823 -0.140 0.000 0.648 630 V HN 0.572 nan 8.190 nan 0.000 0.447 631 N N -0.266 118.388 118.700 -0.077 0.000 2.520 631 N HA -0.106 4.628 4.740 -0.010 0.000 0.185 631 N C 1.192 176.468 175.510 -0.389 0.000 1.068 631 N CA 0.962 53.872 53.050 -0.234 0.000 0.911 631 N CB -0.308 37.973 38.487 -0.343 0.000 0.961 631 N HN 0.688 nan 8.380 nan 0.000 0.446 632 H N -1.405 117.669 119.070 0.008 0.000 2.674 632 H HA 0.203 4.752 4.556 -0.010 0.000 0.274 632 H C -0.496 174.851 175.328 0.032 0.000 1.121 632 H CA -0.488 55.565 56.048 0.008 0.000 1.132 632 H CB 0.533 30.289 29.762 -0.011 0.000 1.606 632 H HN 0.003 nan 8.280 nan 0.000 0.558 633 D N 1.609 122.095 120.400 0.142 0.000 2.339 633 D HA 0.047 4.681 4.640 -0.010 0.000 0.241 633 D C -1.637 174.723 176.300 0.100 0.000 1.183 633 D CA -1.996 52.097 54.000 0.156 0.000 0.859 633 D CB 1.656 42.626 40.800 0.285 0.000 1.067 633 D HN 0.080 nan 8.370 nan 0.000 0.484 634 P HA -0.164 nan 4.420 nan 0.000 0.216 634 P C 1.557 178.878 177.300 0.035 0.000 1.150 634 P CA 0.568 63.696 63.100 0.047 0.000 0.843 634 P CB 0.413 32.136 31.700 0.039 0.000 0.787 635 V N -0.865 119.069 119.914 0.033 0.000 2.515 635 V HA -0.166 3.947 4.120 -0.010 0.000 0.250 635 V C 2.382 178.476 176.094 -0.000 0.000 1.058 635 V CA 1.519 63.823 62.300 0.007 0.000 1.064 635 V CB -0.984 30.830 31.823 -0.015 0.000 0.675 635 V HN -0.008 nan 8.190 nan 0.000 0.461 636 V N -0.221 119.708 119.914 0.027 0.000 2.379 636 V HA 0.131 4.244 4.120 -0.010 0.000 0.245 636 V C 1.784 177.884 176.094 0.010 0.000 1.044 636 V CA 1.488 63.802 62.300 0.024 0.000 1.036 636 V CB -1.210 30.673 31.823 0.100 0.000 0.664 636 V HN 0.730 nan 8.190 nan 0.000 0.453 637 G N 1.592 110.403 108.800 0.019 0.000 2.550 637 G HA2 -0.341 3.612 3.960 -0.010 0.000 0.277 637 G HA3 -0.341 3.612 3.960 -0.010 0.000 0.277 637 G C 0.352 175.255 174.900 0.005 0.000 1.190 637 G CA 0.349 45.456 45.100 0.011 0.000 0.971 637 G HN 0.642 nan 8.290 nan 0.000 0.559 638 D N 0.548 120.952 120.400 0.006 0.000 2.395 638 D HA 0.140 4.773 4.640 -0.010 0.000 0.226 638 D C 1.706 178.001 176.300 -0.009 0.000 1.146 638 D CA -0.088 53.916 54.000 0.006 0.000 0.830 638 D CB 0.108 40.923 40.800 0.024 0.000 0.958 638 D HN 0.559 nan 8.370 nan 0.000 0.501 639 R N -0.422 120.062 120.500 -0.027 0.000 2.200 639 R HA 0.176 4.510 4.340 -0.010 0.000 0.208 639 R C 0.062 176.320 176.300 -0.069 0.000 1.033 639 R CA 0.216 56.276 56.100 -0.066 0.000 1.000 639 R CB 0.387 30.631 30.300 -0.094 0.000 0.906 639 R HN 0.112 nan 8.270 nan 0.000 0.462 640 L N 0.643 121.843 121.223 -0.039 0.000 2.543 640 L HA 0.404 4.737 4.340 -0.010 0.000 0.265 640 L C -1.669 175.183 176.870 -0.031 0.000 0.945 640 L CA -0.540 54.277 54.840 -0.039 0.000 0.869 640 L CB 1.813 43.861 42.059 -0.018 0.000 1.294 640 L HN -0.191 nan 8.230 nan 0.000 0.405 641 R N 3.739 124.208 120.500 -0.051 0.000 2.686 641 R HA 0.801 5.135 4.340 -0.010 0.000 0.283 641 R C -1.640 174.613 176.300 -0.078 0.000 0.978 641 R CA -0.804 55.258 56.100 -0.063 0.000 0.897 641 R CB 2.373 32.636 30.300 -0.062 0.000 1.192 641 R HN 0.397 nan 8.270 nan 0.000 0.457 642 V N 4.483 124.350 119.914 -0.079 0.000 2.443 642 V HA 0.477 4.591 4.120 -0.010 0.000 0.293 642 V C -0.449 175.608 176.094 -0.062 0.000 1.021 642 V CA -0.722 61.531 62.300 -0.078 0.000 0.848 642 V CB 1.603 33.375 31.823 -0.085 0.000 0.998 642 V HN 0.516 nan 8.190 nan 0.000 0.424 643 I N 4.868 125.399 120.570 -0.064 0.000 2.509 643 I HA 0.471 4.635 4.170 -0.010 0.000 0.293 643 I C -0.681 175.423 176.117 -0.022 0.000 1.020 643 I CA -0.470 60.805 61.300 -0.042 0.000 1.088 643 I CB 1.889 39.843 38.000 -0.077 0.000 1.267 643 I HN 0.555 nan 8.210 nan 0.000 0.430 644 F N 6.931 126.818 119.950 -0.105 0.000 2.385 644 F HA 0.516 5.037 4.527 -0.010 0.000 0.360 644 F C -0.644 175.090 175.800 -0.110 0.000 1.122 644 F CA -0.779 57.159 58.000 -0.104 0.000 1.090 644 F CB 0.672 39.612 39.000 -0.100 0.000 1.150 644 F HN 0.145 nan 8.300 nan 0.000 0.472 645 L N 5.986 126.820 121.223 -0.648 0.000 2.407 645 L HA 0.140 4.473 4.340 -0.010 0.000 0.282 645 L C 0.386 176.995 176.870 -0.434 0.000 1.110 645 L CA 0.235 54.817 54.840 -0.429 0.000 0.863 645 L CB -0.057 41.831 42.059 -0.283 0.000 1.207 645 L HN 0.619 nan 8.230 nan 0.000 0.454 646 E N 3.280 123.359 120.200 -0.202 0.000 2.373 646 E HA -0.021 4.323 4.350 -0.010 0.000 0.267 646 E C 0.485 177.138 176.600 0.088 0.000 1.032 646 E CA -0.293 56.131 56.400 0.039 0.000 0.889 646 E CB 0.331 30.031 29.700 0.000 0.000 0.984 646 E HN 0.538 nan 8.360 nan 0.000 0.425 647 N N 2.452 121.272 118.700 0.200 0.000 2.725 647 N HA -0.284 4.450 4.740 -0.010 0.000 0.251 647 N C -1.533 174.082 175.510 0.176 0.000 1.031 647 N CA 0.557 53.727 53.050 0.199 0.000 0.720 647 N CB -1.553 37.068 38.487 0.223 0.000 0.930 647 N HN 0.477 nan 8.380 nan 0.000 0.543 648 Y N 1.459 121.774 120.300 0.026 0.000 2.721 648 Y HA 0.171 4.715 4.550 -0.011 0.000 0.329 648 Y C 1.133 177.058 175.900 0.040 0.000 1.211 648 Y CA 0.576 58.676 58.100 0.001 0.000 1.512 648 Y CB 0.302 38.729 38.460 -0.054 0.000 1.249 648 Y HN 0.380 nan 8.280 nan 0.000 0.549 649 R N 2.447 122.636 120.500 -0.518 0.000 2.762 649 R HA 0.483 4.817 4.340 -0.010 0.000 0.271 649 R C -0.363 175.610 176.300 -0.546 0.000 1.038 649 R CA -0.619 55.240 56.100 -0.401 0.000 0.906 649 R CB 0.328 30.581 30.300 -0.078 0.000 1.259 649 R HN 0.346 nan 8.270 nan 0.000 0.457 650 V N 1.092 120.715 119.914 -0.486 0.000 2.255 650 V HA -0.297 3.816 4.120 -0.010 0.000 0.247 650 V C 2.577 178.549 176.094 -0.202 0.000 1.051 650 V CA 2.848 64.918 62.300 -0.383 0.000 1.018 650 V CB -0.839 30.716 31.823 -0.446 0.000 0.641 650 V HN 0.934 nan 8.190 nan 0.000 0.445 651 S N 0.104 115.710 115.700 -0.156 0.000 2.400 651 S HA -0.200 4.264 4.470 -0.010 0.000 0.232 651 S C 1.920 176.484 174.600 -0.059 0.000 1.025 651 S CA 1.781 59.924 58.200 -0.094 0.000 0.993 651 S CB -0.565 62.613 63.200 -0.038 0.000 0.808 651 S HN 0.402 nan 8.310 nan 0.000 0.478 652 L N 1.824 123.015 121.223 -0.053 0.000 2.131 652 L HA 0.340 4.674 4.340 -0.010 0.000 0.206 652 L C 2.659 179.542 176.870 0.023 0.000 1.087 652 L CA 1.322 56.170 54.840 0.014 0.000 0.767 652 L CB -1.191 40.932 42.059 0.107 0.000 0.917 652 L HN 0.342 nan 8.230 nan 0.000 0.441 653 A N -0.605 122.205 122.820 -0.016 0.000 1.908 653 A HA -0.237 4.076 4.320 -0.010 0.000 0.218 653 A C 2.112 179.755 177.584 0.098 0.000 1.181 653 A CA 1.835 53.936 52.037 0.107 0.000 0.627 653 A CB -0.624 18.417 19.000 0.068 0.000 0.818 653 A HN 0.595 nan 8.150 nan 0.000 0.445 654 E N -0.416 119.831 120.200 0.079 0.000 2.333 654 E HA -0.165 4.179 4.350 -0.010 0.000 0.198 654 E C 1.823 178.394 176.600 -0.048 0.000 1.007 654 E CA 1.168 57.574 56.400 0.009 0.000 0.845 654 E CB -0.051 29.564 29.700 -0.142 0.000 0.766 654 E HN 0.629 nan 8.360 nan 0.000 0.507 655 K N -0.029 120.323 120.400 -0.079 0.000 2.190 655 K HA 0.041 4.354 4.320 -0.010 0.000 0.202 655 K C 2.132 178.531 176.600 -0.336 0.000 1.045 655 K CA 0.363 56.580 56.287 -0.116 0.000 0.976 655 K CB 0.087 32.529 32.500 -0.097 0.000 0.849 655 K HN -0.049 nan 8.250 nan 0.000 0.468 656 V N 1.920 121.543 119.914 -0.486 0.000 2.488 656 V HA -0.108 4.006 4.120 -0.010 0.000 0.246 656 V C 1.881 177.712 176.094 -0.437 0.000 1.046 656 V CA 1.147 62.928 62.300 -0.865 0.000 1.053 656 V CB -0.152 31.290 31.823 -0.635 0.000 0.679 656 V HN 0.232 nan 8.190 nan 0.000 0.458 657 I N 0.700 121.077 120.570 -0.322 0.000 2.226 657 I HA -0.133 4.030 4.170 -0.010 0.000 0.245 657 I C -0.271 175.720 176.117 -0.209 0.000 1.100 657 I CA 1.604 62.651 61.300 -0.421 0.000 1.374 657 I CB -1.480 36.152 38.000 -0.614 0.000 1.057 657 I HN 0.371 nan 8.210 nan 0.000 0.413 658 P HA -0.101 nan 4.420 nan 0.000 0.222 658 P C 0.992 178.281 177.300 -0.018 0.000 1.147 658 P CA 1.185 64.254 63.100 -0.052 0.000 0.790 658 P CB 0.061 31.740 31.700 -0.034 0.000 0.780 659 A N -1.193 121.598 122.820 -0.049 0.000 2.275 659 A HA 0.468 4.782 4.320 -0.010 0.000 0.212 659 A C 1.155 178.840 177.584 0.167 0.000 1.201 659 A CA 0.093 52.160 52.037 0.051 0.000 0.843 659 A CB -0.680 18.363 19.000 0.071 0.000 0.873 659 A HN 0.191 nan 8.150 nan 0.000 0.492 660 A N -0.204 122.710 122.820 0.158 0.000 2.340 660 A HA 0.488 4.801 4.320 -0.010 0.000 0.268 660 A C 0.347 178.075 177.584 0.241 0.000 1.100 660 A CA -0.145 52.051 52.037 0.265 0.000 0.803 660 A CB 0.378 19.625 19.000 0.410 0.000 1.043 660 A HN 0.264 nan 8.150 nan 0.000 0.488 661 D N 0.224 120.766 120.400 0.236 0.000 2.525 661 D HA 0.140 4.774 4.640 -0.010 0.000 0.248 661 D C -0.020 176.494 176.300 0.357 0.000 1.000 661 D CA 0.641 54.827 54.000 0.311 0.000 0.923 661 D CB 0.318 41.211 40.800 0.154 0.000 1.101 661 D HN 0.356 nan 8.370 nan 0.000 0.493 662 L N 1.152 122.473 121.223 0.162 0.000 2.356 662 L HA 0.313 4.646 4.340 -0.010 0.000 0.277 662 L C -0.841 175.920 176.870 -0.182 0.000 0.996 662 L CA -0.301 54.562 54.840 0.037 0.000 0.822 662 L CB 2.089 44.147 42.059 -0.003 0.000 1.256 662 L HN -0.180 nan 8.230 nan 0.000 0.413 663 S N 4.263 119.768 115.700 -0.324 0.000 2.422 663 S HA 0.326 4.790 4.470 -0.010 0.000 0.308 663 S C -0.408 173.925 174.600 -0.445 0.000 1.097 663 S CA -0.685 57.082 58.200 -0.721 0.000 1.099 663 S CB 0.631 63.343 63.200 -0.812 0.000 0.976 663 S HN 0.551 nan 8.310 nan 0.000 0.471 664 E N 4.148 124.096 120.200 -0.420 0.000 2.089 664 E HA 0.204 4.547 4.350 -0.010 0.000 0.284 664 E C -0.543 175.946 176.600 -0.184 0.000 1.023 664 E CA -0.396 55.879 56.400 -0.207 0.000 0.819 664 E CB 0.940 30.547 29.700 -0.156 0.000 1.076 664 E HN 0.593 nan 8.360 nan 0.000 0.396 665 Q N 2.812 122.561 119.800 -0.086 0.000 2.907 665 Q HA 0.271 4.605 4.340 -0.010 0.000 0.262 665 Q C 0.562 176.559 176.000 -0.005 0.000 0.997 665 Q CA -0.139 55.628 55.803 -0.060 0.000 0.797 665 Q CB 0.310 29.026 28.738 -0.037 0.000 1.228 665 Q HN 0.615 nan 8.270 nan 0.000 0.466 666 I N -1.494 119.060 120.570 -0.027 0.000 3.531 666 I HA 0.288 4.452 4.170 -0.010 0.000 0.341 666 I C 0.343 176.419 176.117 -0.068 0.000 1.550 666 I CA -0.667 60.630 61.300 -0.005 0.000 1.087 666 I CB 0.357 38.356 38.000 -0.002 0.000 1.408 666 I HN 0.009 nan 8.210 nan 0.000 0.484 667 S N 0.338 115.997 115.700 -0.068 0.000 2.579 667 S HA 0.234 4.697 4.470 -0.010 0.000 0.275 667 S C 0.550 175.136 174.600 -0.023 0.000 1.345 667 S CA -0.305 57.872 58.200 -0.038 0.000 1.031 667 S CB 0.556 63.785 63.200 0.047 0.000 0.892 667 S HN 0.391 nan 8.310 nan 0.000 0.529 668 T N 2.679 117.250 114.554 0.028 0.000 2.902 668 T HA 0.386 4.730 4.350 -0.010 0.000 0.301 668 T C 0.740 175.450 174.700 0.016 0.000 1.012 668 T CA 0.226 62.348 62.100 0.037 0.000 1.151 668 T CB 0.030 68.991 68.868 0.156 0.000 0.946 668 T HN 1.007 nan 8.240 nan 0.000 0.542 669 A N 2.687 125.487 122.820 -0.034 0.000 2.580 669 A HA 0.444 4.758 4.320 -0.010 0.000 0.244 669 A C 1.643 179.220 177.584 -0.012 0.000 1.045 669 A CA 0.319 52.333 52.037 -0.040 0.000 0.761 669 A CB -0.925 18.039 19.000 -0.060 0.000 0.962 669 A HN 1.704 nan 8.150 nan 0.000 0.512 670 G N 1.435 110.227 108.800 -0.014 0.000 2.176 670 G HA2 -0.244 3.710 3.960 -0.010 0.000 0.232 670 G HA3 -0.244 3.710 3.960 -0.010 0.000 0.232 670 G C 0.872 175.760 174.900 -0.020 0.000 0.986 670 G CA 1.115 46.209 45.100 -0.010 0.000 0.643 670 G HN 1.974 nan 8.290 nan 0.000 0.522 671 T N -2.460 112.075 114.554 -0.030 0.000 3.038 671 T HA 0.400 4.744 4.350 -0.010 0.000 0.244 671 T C 0.773 175.307 174.700 -0.277 0.000 1.016 671 T CA 1.065 63.076 62.100 -0.148 0.000 1.098 671 T CB 0.521 69.335 68.868 -0.091 0.000 0.954 671 T HN 0.266 nan 8.240 nan 0.000 0.469 672 E N 1.610 121.772 120.200 -0.062 0.000 1.996 672 E HA 0.656 5.000 4.350 -0.010 0.000 0.280 672 E C 1.200 177.743 176.600 -0.095 0.000 1.092 672 E CA 0.067 56.471 56.400 0.008 0.000 0.862 672 E CB 0.683 30.453 29.700 0.116 0.000 1.066 672 E HN 0.351 nan 8.360 nan 0.000 0.396 673 A N 3.397 126.086 122.820 -0.217 0.000 1.915 673 A HA -0.260 4.054 4.320 -0.010 0.000 0.220 673 A C 1.988 179.412 177.584 -0.266 0.000 1.198 673 A CA 2.422 54.181 52.037 -0.463 0.000 0.647 673 A CB -0.308 18.239 19.000 -0.755 0.000 0.825 673 A HN 0.607 nan 8.150 nan 0.000 0.456 674 S N -4.169 111.451 115.700 -0.134 0.000 4.193 674 S HA 0.455 4.919 4.470 -0.010 0.000 0.211 674 S C 0.618 175.203 174.600 -0.026 0.000 1.162 674 S CA 1.369 59.540 58.200 -0.049 0.000 1.039 674 S CB -0.039 63.155 63.200 -0.011 0.000 1.371 674 S HN 2.323 nan 8.310 nan 0.000 0.550 675 G N 0.352 109.142 108.800 -0.016 0.000 2.719 675 G HA2 -0.016 3.937 3.960 -0.010 0.000 0.686 675 G HA3 -0.016 3.937 3.960 -0.010 0.000 0.686 675 G C 0.215 175.096 174.900 -0.033 0.000 1.201 675 G CA 0.462 45.552 45.100 -0.017 0.000 0.768 675 G HN 1.297 nan 8.290 nan 0.000 0.629 676 T N -1.754 112.768 114.554 -0.054 0.000 3.010 676 T HA 0.371 4.715 4.350 -0.010 0.000 0.253 676 T C 2.394 177.001 174.700 -0.156 0.000 0.939 676 T CA 1.268 63.310 62.100 -0.097 0.000 0.910 676 T CB 0.249 69.051 68.868 -0.111 0.000 1.226 676 T HN 1.889 nan 8.240 nan 0.000 0.508 677 G N 3.146 111.879 108.800 -0.112 0.000 2.442 677 G HA2 -0.281 3.673 3.960 -0.010 0.000 0.219 677 G HA3 -0.281 3.673 3.960 -0.010 0.000 0.219 677 G C 1.461 176.407 174.900 0.077 0.000 1.141 677 G CA 1.213 46.265 45.100 -0.080 0.000 0.763 677 G HN 0.837 nan 8.290 nan 0.000 0.554 678 N N 0.140 118.870 118.700 0.050 0.000 2.137 678 N HA -0.160 4.574 4.740 -0.010 0.000 0.190 678 N C 2.208 177.725 175.510 0.012 0.000 1.017 678 N CA 1.398 54.482 53.050 0.058 0.000 0.859 678 N CB -0.363 38.111 38.487 -0.022 0.000 1.002 678 N HN 0.357 nan 8.380 nan 0.000 0.428 679 M N 0.754 120.294 119.600 -0.100 0.000 2.175 679 M HA -0.022 4.452 4.480 -0.010 0.000 0.264 679 M C 1.989 178.241 176.300 -0.079 0.000 1.063 679 M CA 1.405 56.626 55.300 -0.132 0.000 1.119 679 M CB -0.069 32.462 32.600 -0.115 0.000 1.377 679 M HN 0.108 nan 8.290 nan 0.000 0.415 680 K N 0.047 120.333 120.400 -0.190 0.000 2.057 680 K HA -0.111 4.202 4.320 -0.010 0.000 0.207 680 K C 1.708 178.185 176.600 -0.206 0.000 1.049 680 K CA 1.381 57.488 56.287 -0.301 0.000 0.931 680 K CB -0.281 31.813 32.500 -0.677 0.000 0.714 680 K HN 0.162 nan 8.250 nan 0.000 0.440 681 F N 1.094 120.976 119.950 -0.114 0.000 2.146 681 F HA -0.103 4.417 4.527 -0.011 0.000 0.298 681 F C 2.568 178.342 175.800 -0.043 0.000 1.096 681 F CA 1.156 59.113 58.000 -0.071 0.000 1.275 681 F CB -0.296 38.651 39.000 -0.087 0.000 1.008 681 F HN -0.015 nan 8.300 nan 0.000 0.480 682 M N -0.445 119.240 119.600 0.142 0.000 2.159 682 M HA -0.189 4.284 4.480 -0.010 0.000 0.263 682 M C 2.051 178.405 176.300 0.089 0.000 1.063 682 M CA 1.549 56.904 55.300 0.091 0.000 1.110 682 M CB -0.204 32.443 32.600 0.077 0.000 1.374 682 M HN 0.262 nan 8.290 nan 0.000 0.411 683 L N 0.748 122.020 121.223 0.082 0.000 2.291 683 L HA -0.053 4.281 4.340 -0.010 0.000 0.214 683 L C 1.256 178.170 176.870 0.074 0.000 1.120 683 L CA 1.563 56.458 54.840 0.092 0.000 0.799 683 L CB -0.577 41.547 42.059 0.107 0.000 0.925 683 L HN 0.344 nan 8.230 nan 0.000 0.446 684 N N -0.143 118.590 118.700 0.055 0.000 2.251 684 N HA 0.173 4.907 4.740 -0.010 0.000 0.217 684 N C 0.813 176.358 175.510 0.057 0.000 1.124 684 N CA 0.774 53.851 53.050 0.044 0.000 0.843 684 N CB 0.533 39.023 38.487 0.004 0.000 1.024 684 N HN 0.404 nan 8.380 nan 0.000 0.501 685 G N 0.501 109.342 108.800 0.067 0.000 2.142 685 G HA2 -0.191 3.763 3.960 -0.010 0.000 0.225 685 G HA3 -0.191 3.763 3.960 -0.010 0.000 0.225 685 G C -0.055 174.918 174.900 0.121 0.000 1.015 685 G CA 0.121 45.265 45.100 0.073 0.000 0.716 685 G HN 0.521 nan 8.290 nan 0.000 0.508 686 A N -0.299 122.599 122.820 0.131 0.000 2.340 686 A HA 0.889 5.203 4.320 -0.010 0.000 0.331 686 A C 0.306 177.902 177.584 0.019 0.000 1.140 686 A CA -0.666 51.469 52.037 0.163 0.000 0.801 686 A CB 1.157 20.314 19.000 0.260 0.000 1.234 686 A HN 0.688 nan 8.150 nan 0.000 0.469 687 L N 0.810 122.010 121.223 -0.039 0.000 2.421 687 L HA 0.467 4.801 4.340 -0.010 0.000 0.263 687 L C 0.177 176.917 176.870 -0.217 0.000 1.122 687 L CA -0.351 54.354 54.840 -0.225 0.000 0.804 687 L CB 1.564 43.400 42.059 -0.371 0.000 1.150 687 L HN 0.698 nan 8.230 nan 0.000 0.457 688 T N 2.702 116.989 114.554 -0.445 0.000 2.797 688 T HA 0.469 4.812 4.350 -0.010 0.000 0.279 688 T C -0.454 174.102 174.700 -0.239 0.000 0.991 688 T CA -0.261 61.558 62.100 -0.468 0.000 0.979 688 T CB 1.541 69.915 68.868 -0.823 0.000 0.943 688 T HN 0.359 nan 8.240 nan 0.000 0.444 689 I N 2.939 123.477 120.570 -0.053 0.000 2.362 689 I HA 0.732 4.896 4.170 -0.010 0.000 0.289 689 I C 0.064 176.333 176.117 0.253 0.000 0.994 689 I CA 0.070 61.458 61.300 0.146 0.000 1.158 689 I CB 0.357 38.373 38.000 0.027 0.000 1.315 689 I HN 0.792 nan 8.210 nan 0.000 0.451 690 G N 3.985 113.023 108.800 0.397 0.000 2.550 690 G HA2 0.454 4.407 3.960 -0.010 0.000 0.293 690 G HA3 0.454 4.407 3.960 -0.010 0.000 0.293 690 G C -0.970 173.887 174.900 -0.073 0.000 1.402 690 G CA -0.339 44.920 45.100 0.264 0.000 0.784 690 G HN 0.574 nan 8.290 nan 0.000 0.482 691 T N -1.569 112.819 114.554 -0.278 0.000 2.902 691 T HA 0.545 4.889 4.350 -0.010 0.000 0.280 691 T C 0.638 175.231 174.700 -0.179 0.000 0.992 691 T CA -0.717 61.132 62.100 -0.419 0.000 1.015 691 T CB 1.250 69.881 68.868 -0.395 0.000 1.044 691 T HN 0.263 nan 8.240 nan 0.000 0.520 692 M N 2.886 122.387 119.600 -0.165 0.000 3.237 692 M HA 0.336 4.809 4.480 -0.010 0.000 0.266 692 M C -0.499 175.750 176.300 -0.085 0.000 1.456 692 M CA -0.054 55.184 55.300 -0.105 0.000 1.593 692 M CB -1.682 30.863 32.600 -0.092 0.000 1.129 692 M HN 0.740 nan 8.290 nan 0.000 0.547 693 D N 0.029 120.385 120.400 -0.072 0.000 2.601 693 D HA 0.680 5.314 4.640 -0.010 0.000 0.230 693 D C 0.695 176.974 176.300 -0.035 0.000 1.106 693 D CA 0.684 54.655 54.000 -0.049 0.000 0.873 693 D CB 1.744 42.516 40.800 -0.046 0.000 1.515 693 D HN 0.601 nan 8.370 nan 0.000 0.468 694 G N 1.534 110.321 108.800 -0.021 0.000 2.627 694 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.312 694 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.312 694 G C 1.079 175.971 174.900 -0.013 0.000 1.299 694 G CA 1.168 46.258 45.100 -0.016 0.000 0.989 694 G HN 1.077 nan 8.290 nan 0.000 0.547 695 A N -0.454 122.356 122.820 -0.017 0.000 2.172 695 A HA 0.029 4.342 4.320 -0.010 0.000 0.216 695 A C 2.148 179.674 177.584 -0.095 0.000 1.154 695 A CA 2.000 54.024 52.037 -0.021 0.000 0.701 695 A CB -0.485 18.495 19.000 -0.034 0.000 0.789 695 A HN 0.636 nan 8.150 nan 0.000 0.465 696 N N 0.467 119.115 118.700 -0.086 0.000 2.137 696 N HA -0.153 4.581 4.740 -0.010 0.000 0.190 696 N C 1.596 176.981 175.510 -0.209 0.000 1.017 696 N CA 1.612 54.600 53.050 -0.103 0.000 0.859 696 N CB -0.628 37.849 38.487 -0.017 0.000 1.002 696 N HN 0.293 nan 8.380 nan 0.000 0.428 697 V N 1.297 121.132 119.914 -0.131 0.000 2.332 697 V HA -0.215 3.899 4.120 -0.010 0.000 0.248 697 V C 1.957 177.976 176.094 -0.126 0.000 1.055 697 V CA 1.689 63.910 62.300 -0.133 0.000 1.038 697 V CB -0.490 31.290 31.823 -0.071 0.000 0.651 697 V HN 0.364 nan 8.190 nan 0.000 0.450 698 E N -0.607 119.572 120.200 -0.035 0.000 2.152 698 E HA -0.133 4.211 4.350 -0.010 0.000 0.192 698 E C 2.207 178.898 176.600 0.151 0.000 0.983 698 E CA 1.038 57.489 56.400 0.085 0.000 0.818 698 E CB -0.186 29.648 29.700 0.223 0.000 0.758 698 E HN 0.541 nan 8.360 nan 0.000 0.467 699 M N 0.523 120.096 119.600 -0.045 0.000 2.086 699 M HA -0.139 4.335 4.480 -0.010 0.000 0.261 699 M C 2.489 178.528 176.300 -0.435 0.000 1.067 699 M CA 1.553 56.744 55.300 -0.181 0.000 1.116 699 M CB -0.180 32.185 32.600 -0.392 0.000 1.348 699 M HN 0.137 nan 8.290 nan 0.000 0.407 700 A N -0.239 122.051 122.820 -0.884 0.000 1.933 700 A HA -0.212 4.101 4.320 -0.010 0.000 0.218 700 A C 1.977 179.358 177.584 -0.339 0.000 1.175 700 A CA 1.926 53.410 52.037 -0.923 0.000 0.628 700 A CB -0.764 17.747 19.000 -0.815 0.000 0.814 700 A HN 0.580 nan 8.150 nan 0.000 0.444 701 E N -0.441 119.632 120.200 -0.211 0.000 2.072 701 E HA -0.195 4.148 4.350 -0.010 0.000 0.191 701 E C 1.798 178.368 176.600 -0.051 0.000 0.985 701 E CA 1.155 57.496 56.400 -0.099 0.000 0.801 701 E CB -0.039 29.624 29.700 -0.062 0.000 0.750 701 E HN 0.544 nan 8.360 nan 0.000 0.452 702 E N 0.082 120.279 120.200 -0.006 0.000 2.072 702 E HA -0.128 4.216 4.350 -0.010 0.000 0.191 702 E C 1.854 178.475 176.600 0.034 0.000 0.985 702 E CA 1.137 57.557 56.400 0.034 0.000 0.801 702 E CB -0.166 29.610 29.700 0.126 0.000 0.750 702 E HN 0.346 nan 8.360 nan 0.000 0.452 703 A N 0.345 123.189 122.820 0.039 0.000 2.072 703 A HA 0.332 4.646 4.320 -0.010 0.000 0.216 703 A C 1.052 178.649 177.584 0.023 0.000 1.156 703 A CA 1.114 53.188 52.037 0.063 0.000 0.701 703 A CB 0.031 19.126 19.000 0.158 0.000 0.816 703 A HN 0.255 nan 8.150 nan 0.000 0.458 704 G N -0.490 108.297 108.800 -0.021 0.000 3.225 704 G HA2 -0.077 3.876 3.960 -0.010 0.000 0.686 704 G HA3 -0.077 3.876 3.960 -0.010 0.000 0.686 704 G C -0.046 174.834 174.900 -0.033 0.000 1.105 704 G CA -0.010 45.072 45.100 -0.030 0.000 0.831 704 G HN 0.248 nan 8.290 nan 0.000 0.578 705 E N 0.969 121.138 120.200 -0.052 0.000 2.219 705 E HA -0.193 4.150 4.350 -0.010 0.000 0.198 705 E C 1.959 178.542 176.600 -0.029 0.000 0.998 705 E CA 1.780 58.157 56.400 -0.038 0.000 0.818 705 E CB 0.075 29.751 29.700 -0.041 0.000 0.741 705 E HN 0.769 nan 8.360 nan 0.000 0.477 706 E N 0.614 120.786 120.200 -0.048 0.000 2.347 706 E HA -0.069 4.275 4.350 -0.010 0.000 0.196 706 E C 0.885 177.394 176.600 -0.152 0.000 1.008 706 E CA 0.557 56.907 56.400 -0.084 0.000 0.852 706 E CB -0.004 29.660 29.700 -0.059 0.000 0.783 706 E HN 0.164 nan 8.360 nan 0.000 0.505 707 N N -0.306 118.332 118.700 -0.103 0.000 2.238 707 N HA 0.155 4.889 4.740 -0.010 0.000 0.222 707 N C -0.978 174.447 175.510 -0.142 0.000 1.133 707 N CA 0.056 53.016 53.050 -0.149 0.000 0.854 707 N CB 0.428 38.886 38.487 -0.049 0.000 1.041 707 N HN 0.048 nan 8.380 nan 0.000 0.510 708 F N -0.365 119.356 119.950 -0.382 0.000 2.588 708 F HA 0.412 4.932 4.527 -0.012 0.000 0.310 708 F C -0.858 174.697 175.800 -0.408 0.000 1.082 708 F CA -1.077 56.735 58.000 -0.313 0.000 0.929 708 F CB 1.371 40.287 39.000 -0.139 0.000 1.254 708 F HN -0.219 nan 8.300 nan 0.000 0.455 709 F N 5.019 124.976 119.950 0.012 0.000 2.359 709 F HA 0.427 4.948 4.527 -0.010 0.000 0.355 709 F C -0.392 175.539 175.800 0.217 0.000 1.132 709 F CA -0.545 57.496 58.000 0.070 0.000 1.246 709 F CB -0.072 38.912 39.000 -0.026 0.000 1.569 709 F HN 0.029 nan 8.300 nan 0.000 0.561 710 I N 3.740 124.513 120.570 0.339 0.000 2.472 710 I HA 0.433 4.597 4.170 -0.010 0.000 0.290 710 I C -0.104 176.205 176.117 0.320 0.000 1.016 710 I CA -0.481 60.985 61.300 0.277 0.000 1.348 710 I CB 0.581 38.663 38.000 0.135 0.000 1.417 710 I HN 0.351 nan 8.210 nan 0.000 0.521 711 F N 2.480 122.496 119.950 0.110 0.000 2.779 711 F HA 0.896 5.416 4.527 -0.011 0.000 0.316 711 F C 0.029 175.871 175.800 0.070 0.000 1.164 711 F CA -0.654 57.401 58.000 0.092 0.000 0.924 711 F CB 0.700 39.768 39.000 0.112 0.000 1.348 711 F HN 0.901 nan 8.300 nan 0.000 0.467 712 G N 0.920 109.760 108.800 0.065 0.000 2.828 712 G HA2 -0.091 3.863 3.960 -0.010 0.000 0.463 712 G HA3 -0.091 3.863 3.960 -0.010 0.000 0.463 712 G C -0.784 174.074 174.900 -0.070 0.000 1.394 712 G CA -0.533 44.538 45.100 -0.048 0.000 0.862 712 G HN 0.965 nan 8.290 nan 0.000 0.540 713 M N 0.662 120.237 119.600 -0.041 0.000 2.252 713 M HA 0.252 4.726 4.480 -0.010 0.000 0.333 713 M C 1.196 177.459 176.300 -0.063 0.000 1.111 713 M CA 0.127 55.412 55.300 -0.025 0.000 1.140 713 M CB 0.306 32.902 32.600 -0.007 0.000 1.538 713 M HN 0.515 nan 8.290 nan 0.000 0.448 714 R N 1.355 121.832 120.500 -0.038 0.000 2.608 714 R HA 0.325 4.659 4.340 -0.010 0.000 0.255 714 R C 1.183 177.464 176.300 -0.033 0.000 1.086 714 R CA -0.579 55.494 56.100 -0.045 0.000 1.125 714 R CB 0.272 30.553 30.300 -0.031 0.000 1.193 714 R HN 0.571 nan 8.270 nan 0.000 0.553 715 V N 1.541 121.435 119.914 -0.034 0.000 2.324 715 V HA -0.274 3.840 4.120 -0.010 0.000 0.250 715 V C 1.818 177.901 176.094 -0.018 0.000 1.060 715 V CA 2.015 64.299 62.300 -0.026 0.000 1.042 715 V CB -0.445 31.361 31.823 -0.028 0.000 0.650 715 V HN 0.623 nan 8.190 nan 0.000 0.450 716 E N 0.159 120.351 120.200 -0.015 0.000 2.110 716 E HA -0.186 4.158 4.350 -0.010 0.000 0.193 716 E C 1.949 178.552 176.600 0.005 0.000 0.988 716 E CA 1.357 57.753 56.400 -0.006 0.000 0.804 716 E CB -0.408 29.289 29.700 -0.005 0.000 0.745 716 E HN 0.622 nan 8.360 nan 0.000 0.458 717 D N -0.250 120.154 120.400 0.007 0.000 2.144 717 D HA -0.092 4.541 4.640 -0.010 0.000 0.200 717 D C 1.953 178.268 176.300 0.024 0.000 0.978 717 D CA 0.788 54.802 54.000 0.023 0.000 0.833 717 D CB -0.071 40.746 40.800 0.027 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.824 121.740 119.914 0.003 0.000 2.343 718 V HA -0.196 3.918 4.120 -0.010 0.000 0.247 718 V C 1.979 178.074 176.094 0.001 0.000 1.051 718 V CA 1.586 63.881 62.300 -0.008 0.000 1.036 718 V CB -0.349 31.460 31.823 -0.023 0.000 0.654 718 V HN 0.057 nan 8.190 nan 0.000 0.451 719 D N -0.048 120.353 120.400 0.002 0.000 2.117 719 D HA -0.143 4.491 4.640 -0.010 0.000 0.197 719 D C 2.417 178.729 176.300 0.020 0.000 0.987 719 D CA 1.185 55.188 54.000 0.005 0.000 0.829 719 D CB -0.208 40.591 40.800 -0.001 0.000 0.961 719 D HN 0.378 nan 8.370 nan 0.000 0.460 720 R N 0.244 120.761 120.500 0.028 0.000 2.091 720 R HA -0.042 4.292 4.340 -0.010 0.000 0.238 720 R C 2.539 178.876 176.300 0.061 0.000 1.136 720 R CA 0.535 56.660 56.100 0.041 0.000 0.959 720 R CB -0.349 29.977 30.300 0.044 0.000 0.856 720 R HN 0.194 nan 8.270 nan 0.000 0.437 721 L N 0.638 121.906 121.223 0.075 0.000 2.093 721 L HA -0.206 4.128 4.340 -0.010 0.000 0.208 721 L C 1.544 178.480 176.870 0.111 0.000 1.085 721 L CA 1.324 56.235 54.840 0.119 0.000 0.755 721 L CB -0.265 41.876 42.059 0.136 0.000 0.904 721 L HN 0.242 nan 8.230 nan 0.000 0.435 722 D N -0.600 119.839 120.400 0.065 0.000 2.117 722 D HA -0.192 4.442 4.640 -0.010 0.000 0.198 722 D C 2.206 178.538 176.300 0.053 0.000 0.982 722 D CA 1.058 55.091 54.000 0.054 0.000 0.828 722 D CB -0.056 40.755 40.800 0.018 0.000 0.967 722 D HN 0.443 nan 8.370 nan 0.000 0.464 723 Q N 0.176 120.003 119.800 0.044 0.000 2.124 723 Q HA -0.123 4.210 4.340 -0.010 0.000 0.202 723 Q C 2.244 178.272 176.000 0.046 0.000 0.977 723 Q CA 0.936 56.761 55.803 0.038 0.000 0.850 723 Q CB 0.001 28.757 28.738 0.030 0.000 0.901 723 Q HN 0.163 nan 8.270 nan 0.000 0.429 724 R N -0.109 120.428 120.500 0.060 0.000 2.119 724 R HA 0.018 4.351 4.340 -0.010 0.000 0.222 724 R C -0.126 176.217 176.300 0.073 0.000 1.088 724 R CA 0.953 57.091 56.100 0.064 0.000 0.984 724 R CB 0.305 30.649 30.300 0.074 0.000 0.884 724 R HN 0.263 nan 8.270 nan 0.000 0.447 725 G N 0.174 109.033 108.800 0.098 0.000 3.448 725 G HA2 -0.239 3.715 3.960 -0.010 0.000 0.685 725 G HA3 -0.239 3.715 3.960 -0.010 0.000 0.685 725 G C -1.384 173.615 174.900 0.165 0.000 1.151 725 G CA -0.386 44.780 45.100 0.110 0.000 1.023 725 G HN 0.273 nan 8.290 nan 0.000 0.499 726 Y N 3.766 124.103 120.300 0.062 0.000 2.436 726 Y HA 0.556 5.099 4.550 -0.010 0.000 0.336 726 Y C 0.339 176.300 175.900 0.102 0.000 1.049 726 Y CA -0.810 57.345 58.100 0.092 0.000 1.294 726 Y CB 0.967 39.459 38.460 0.053 0.000 1.179 726 Y HN 0.560 nan 8.280 nan 0.000 0.520 727 N N 5.264 123.733 118.700 -0.385 0.000 2.623 727 N HA 0.264 4.998 4.740 -0.010 0.000 0.256 727 N C 0.156 175.427 175.510 -0.399 0.000 1.045 727 N CA 0.358 53.206 53.050 -0.336 0.000 0.863 727 N CB 1.521 39.946 38.487 -0.102 0.000 1.182 727 N HN 0.891 nan 8.380 nan 0.000 0.523 728 A N 2.930 125.402 122.820 -0.581 0.000 1.978 728 A HA -0.231 4.083 4.320 -0.010 0.000 0.220 728 A C 1.930 179.650 177.584 0.228 0.000 1.170 728 A CA 1.543 53.485 52.037 -0.158 0.000 0.636 728 A CB -0.353 18.480 19.000 -0.278 0.000 0.810 728 A HN 0.740 nan 8.150 nan 0.000 0.448 729 Q N 0.207 120.036 119.800 0.049 0.000 2.152 729 Q HA -0.248 4.086 4.340 -0.010 0.000 0.206 729 Q C 1.898 177.979 176.000 0.135 0.000 0.985 729 Q CA 2.392 58.236 55.803 0.068 0.000 0.863 729 Q CB -0.373 28.360 28.738 -0.008 0.000 0.904 729 Q HN 0.788 nan 8.270 nan 0.000 0.422 730 E N -1.397 118.837 120.200 0.057 0.000 2.070 730 E HA -0.251 4.093 4.350 -0.010 0.000 0.197 730 E C 1.652 178.211 176.600 -0.069 0.000 1.004 730 E CA 1.569 57.935 56.400 -0.055 0.000 0.805 730 E CB -0.282 29.296 29.700 -0.203 0.000 0.744 730 E HN 0.587 nan 8.360 nan 0.000 0.451 731 Y N -0.953 119.417 120.300 0.117 0.000 2.181 731 Y HA -0.228 4.315 4.550 -0.011 0.000 0.288 731 Y C 2.278 178.183 175.900 0.009 0.000 1.146 731 Y CA 1.628 59.785 58.100 0.095 0.000 1.164 731 Y CB -0.781 37.788 38.460 0.182 0.000 0.982 731 Y HN 0.270 nan 8.280 nan 0.000 0.515 732 Y N 1.262 121.593 120.300 0.052 0.000 2.224 732 Y HA -0.248 4.296 4.550 -0.010 0.000 0.289 732 Y C 1.739 177.605 175.900 -0.057 0.000 1.146 732 Y CA 1.771 59.821 58.100 -0.085 0.000 1.182 732 Y CB -0.416 38.044 38.460 0.000 0.000 0.983 732 Y HN 0.087 nan 8.280 nan 0.000 0.524 733 D N -0.317 120.214 120.400 0.218 0.000 2.224 733 D HA -0.066 4.568 4.640 -0.010 0.000 0.205 733 D C 1.712 178.004 176.300 -0.013 0.000 0.965 733 D CA 1.043 55.108 54.000 0.109 0.000 0.852 733 D CB -0.063 40.803 40.800 0.111 0.000 0.947 733 D HN 0.489 nan 8.370 nan 0.000 0.494 734 R N -0.157 120.327 120.500 -0.027 0.000 2.362 734 R HA 0.299 4.632 4.340 -0.010 0.000 0.227 734 R C 0.342 176.620 176.300 -0.037 0.000 0.905 734 R CA 0.049 56.126 56.100 -0.038 0.000 1.067 734 R CB 1.240 31.511 30.300 -0.047 0.000 1.078 734 R HN 0.124 nan 8.270 nan 0.000 0.516 735 I N 2.062 122.590 120.570 -0.071 0.000 2.464 735 I HA 0.224 4.388 4.170 -0.010 0.000 0.277 735 I C -1.958 174.065 176.117 -0.156 0.000 1.040 735 I CA -2.346 58.916 61.300 -0.064 0.000 1.153 735 I CB 2.155 40.147 38.000 -0.013 0.000 1.274 735 I HN -0.299 nan 8.210 nan 0.000 0.469 736 P HA -0.207 nan 4.420 nan 0.000 0.216 736 P C 1.177 178.382 177.300 -0.159 0.000 1.157 736 P CA 1.548 64.559 63.100 -0.147 0.000 0.880 736 P CB 0.286 31.933 31.700 -0.088 0.000 0.791 737 E N -1.143 119.001 120.200 -0.094 0.000 2.110 737 E HA -0.172 4.171 4.350 -0.010 0.000 0.193 737 E C 1.897 178.393 176.600 -0.173 0.000 0.988 737 E CA 0.724 57.082 56.400 -0.071 0.000 0.804 737 E CB -0.619 29.112 29.700 0.051 0.000 0.745 737 E HN 0.131 nan 8.360 nan 0.000 0.458 738 L N 1.330 122.365 121.223 -0.314 0.000 2.056 738 L HA -0.129 4.204 4.340 -0.010 0.000 0.207 738 L C 2.384 178.965 176.870 -0.481 0.000 1.078 738 L CA 1.650 56.136 54.840 -0.590 0.000 0.749 738 L CB -0.329 41.239 42.059 -0.819 0.000 0.901 738 L HN -0.089 nan 8.230 nan 0.000 0.433 739 R N -0.745 119.440 120.500 -0.524 0.000 2.091 739 R HA -0.251 4.082 4.340 -0.010 0.000 0.238 739 R C 2.380 178.479 176.300 -0.335 0.000 1.136 739 R CA 2.007 57.695 56.100 -0.688 0.000 0.959 739 R CB -0.358 29.461 30.300 -0.802 0.000 0.856 739 R HN 0.657 nan 8.270 nan 0.000 0.437 740 Q N 0.495 120.148 119.800 -0.244 0.000 2.061 740 Q HA -0.183 4.150 4.340 -0.010 0.000 0.204 740 Q C 2.078 178.009 176.000 -0.114 0.000 0.984 740 Q CA 1.960 57.671 55.803 -0.153 0.000 0.846 740 Q CB -0.135 28.521 28.738 -0.137 0.000 0.902 740 Q HN 0.482 nan 8.270 nan 0.000 0.421 741 I N 0.717 121.215 120.570 -0.119 0.000 2.179 741 I HA -0.286 3.878 4.170 -0.010 0.000 0.242 741 I C 2.154 178.276 176.117 0.008 0.000 1.088 741 I CA 0.749 62.017 61.300 -0.053 0.000 1.357 741 I CB -0.325 37.623 38.000 -0.086 0.000 1.051 741 I HN 0.328 nan 8.210 nan 0.000 0.409 742 I N 0.762 121.332 120.570 0.000 0.000 2.361 742 I HA -0.234 3.930 4.170 -0.010 0.000 0.251 742 I C 2.409 178.609 176.117 0.139 0.000 1.133 742 I CA 1.628 62.998 61.300 0.117 0.000 1.413 742 I CB -1.257 36.891 38.000 0.247 0.000 1.073 742 I HN 0.364 nan 8.210 nan 0.000 0.424 743 E N 0.353 120.610 120.200 0.095 0.000 2.152 743 E HA -0.203 4.140 4.350 -0.010 0.000 0.192 743 E C 2.138 178.789 176.600 0.084 0.000 0.983 743 E CA 0.747 57.203 56.400 0.093 0.000 0.818 743 E CB -0.069 29.659 29.700 0.047 0.000 0.758 743 E HN 0.598 nan 8.360 nan 0.000 0.467 744 Q N 0.493 120.322 119.800 0.049 0.000 2.079 744 Q HA -0.108 4.226 4.340 -0.010 0.000 0.200 744 Q C 2.352 178.495 176.000 0.238 0.000 0.974 744 Q CA 0.924 56.758 55.803 0.051 0.000 0.840 744 Q CB -0.032 28.623 28.738 -0.139 0.000 0.898 744 Q HN 0.289 nan 8.270 nan 0.000 0.430 745 L N 0.056 121.438 121.223 0.264 0.000 2.017 745 L HA -0.186 4.148 4.340 -0.010 0.000 0.208 745 L C 2.438 179.481 176.870 0.288 0.000 1.073 745 L CA 1.025 56.054 54.840 0.315 0.000 0.745 745 L CB -0.356 41.816 42.059 0.188 0.000 0.894 745 L HN 0.141 nan 8.230 nan 0.000 0.432 746 S N -0.333 115.492 115.700 0.208 0.000 2.383 746 S HA -0.147 4.316 4.470 -0.010 0.000 0.227 746 S C 2.063 176.757 174.600 0.156 0.000 1.026 746 S CA 1.473 59.776 58.200 0.173 0.000 0.981 746 S CB -0.246 63.037 63.200 0.139 0.000 0.818 746 S HN 0.601 nan 8.310 nan 0.000 0.472 747 S N 0.531 116.322 115.700 0.153 0.000 2.561 747 S HA 0.302 4.766 4.470 -0.010 0.000 0.225 747 S C 1.446 176.126 174.600 0.133 0.000 0.977 747 S CA 0.701 58.977 58.200 0.128 0.000 0.926 747 S CB -0.172 63.097 63.200 0.115 0.000 0.769 747 S HN 0.827 nan 8.310 nan 0.000 0.533 748 G N 0.566 109.475 108.800 0.182 0.000 2.131 748 G HA2 -0.289 3.665 3.960 -0.010 0.000 0.223 748 G HA3 -0.289 3.665 3.960 -0.010 0.000 0.223 748 G C 0.193 175.171 174.900 0.131 0.000 0.990 748 G CA 0.118 45.315 45.100 0.161 0.000 0.671 748 G HN 0.535 nan 8.290 nan 0.000 0.521 749 F N 0.317 120.252 119.950 -0.024 0.000 2.202 749 F HA 0.179 4.700 4.527 -0.011 0.000 0.301 749 F C 1.797 177.378 175.800 -0.364 0.000 1.082 749 F CA 1.911 59.770 58.000 -0.235 0.000 1.313 749 F CB -0.052 38.718 39.000 -0.383 0.000 1.024 749 F HN 0.168 nan 8.300 nan 0.000 0.495 750 F N -0.315 119.785 119.950 0.250 0.000 2.664 750 F HA 0.217 4.737 4.527 -0.010 0.000 0.303 750 F C 0.630 176.538 175.800 0.179 0.000 1.092 750 F CA 0.238 58.339 58.000 0.168 0.000 1.305 750 F CB -0.132 38.975 39.000 0.179 0.000 1.054 750 F HN -0.010 nan 8.300 nan 0.000 0.565 751 S N -2.163 113.675 115.700 0.230 0.000 2.708 751 S HA 0.303 4.767 4.470 -0.010 0.000 0.141 751 S C -2.446 172.167 174.600 0.022 0.000 1.349 751 S CA -0.978 57.287 58.200 0.109 0.000 1.206 751 S CB 0.777 64.002 63.200 0.042 0.000 1.603 751 S HN -0.177 nan 8.310 nan 0.000 0.415 752 P HA -0.171 nan 4.420 nan 0.000 0.215 752 P C 1.205 178.487 177.300 -0.029 0.000 1.163 752 P CA 1.591 64.660 63.100 -0.052 0.000 0.894 752 P CB 0.070 31.715 31.700 -0.091 0.000 0.791 753 K N -1.173 119.211 120.400 -0.026 0.000 2.288 753 K HA -0.050 4.263 4.320 -0.010 0.000 0.201 753 K C 0.664 177.256 176.600 -0.013 0.000 1.048 753 K CA 0.875 57.151 56.287 -0.019 0.000 0.956 753 K CB -0.074 32.417 32.500 -0.015 0.000 0.746 753 K HN 0.355 nan 8.250 nan 0.000 0.461 754 Q N -0.281 119.509 119.800 -0.017 0.000 3.064 754 Q HA 0.151 4.485 4.340 -0.010 0.000 0.258 754 Q C -2.375 173.611 176.000 -0.024 0.000 0.972 754 Q CA -1.607 54.181 55.803 -0.025 0.000 0.761 754 Q CB 1.572 30.285 28.738 -0.041 0.000 1.281 754 Q HN -0.092 nan 8.270 nan 0.000 0.455 755 P HA -0.236 nan 4.420 nan 0.000 0.217 755 P C 0.565 177.894 177.300 0.049 0.000 1.151 755 P CA 1.586 64.707 63.100 0.035 0.000 0.849 755 P CB 0.198 31.917 31.700 0.033 0.000 0.787 756 D N -1.688 118.726 120.400 0.023 0.000 2.388 756 D HA 0.004 4.637 4.640 -0.010 0.000 0.221 756 D C 1.491 177.786 176.300 -0.009 0.000 1.133 756 D CA -0.301 53.721 54.000 0.036 0.000 0.831 756 D CB -0.897 39.926 40.800 0.040 0.000 0.962 756 D HN 0.017 nan 8.370 nan 0.000 0.502 757 L N -0.224 120.928 121.223 -0.119 0.000 2.081 757 L HA -0.027 4.307 4.340 -0.010 0.000 0.212 757 L C 1.029 177.679 176.870 -0.366 0.000 1.080 757 L CA 1.671 56.325 54.840 -0.310 0.000 0.754 757 L CB -0.576 41.117 42.059 -0.610 0.000 0.893 757 L HN 0.020 nan 8.230 nan 0.000 0.433 758 F N -0.453 119.551 119.950 0.090 0.000 2.730 758 F HA 0.145 4.665 4.527 -0.010 0.000 0.295 758 F C 1.822 177.671 175.800 0.082 0.000 1.143 758 F CA -0.182 57.861 58.000 0.072 0.000 1.367 758 F CB -0.322 38.710 39.000 0.053 0.000 0.970 758 F HN 0.114 nan 8.300 nan 0.000 0.514 759 K N -0.394 120.119 120.400 0.189 0.000 2.097 759 K HA -0.170 4.144 4.320 -0.010 0.000 0.206 759 K C 0.947 177.644 176.600 0.162 0.000 1.049 759 K CA 1.885 58.266 56.287 0.157 0.000 0.933 759 K CB -0.230 32.339 32.500 0.114 0.000 0.717 759 K HN 0.096 nan 8.250 nan 0.000 0.442 760 D N 1.387 121.899 120.400 0.187 0.000 2.144 760 D HA -0.092 4.542 4.640 -0.010 0.000 0.199 760 D C 2.089 178.495 176.300 0.176 0.000 0.984 760 D CA 1.149 55.272 54.000 0.205 0.000 0.834 760 D CB -0.129 40.840 40.800 0.283 0.000 0.955 760 D HN 0.314 nan 8.370 nan 0.000 0.465 761 I N 0.614 121.288 120.570 0.174 0.000 2.179 761 I HA -0.219 3.944 4.170 -0.010 0.000 0.242 761 I C 2.479 178.634 176.117 0.063 0.000 1.088 761 I CA 0.649 62.016 61.300 0.111 0.000 1.357 761 I CB -0.243 37.818 38.000 0.102 0.000 1.051 761 I HN -0.122 nan 8.210 nan 0.000 0.409 762 V N 1.216 121.185 119.914 0.091 0.000 2.343 762 V HA -0.301 3.813 4.120 -0.010 0.000 0.247 762 V C 2.241 178.312 176.094 -0.039 0.000 1.051 762 V CA 2.374 64.706 62.300 0.053 0.000 1.036 762 V CB -0.976 30.904 31.823 0.096 0.000 0.654 762 V HN 0.482 nan 8.190 nan 0.000 0.451 763 N N -0.077 118.624 118.700 0.003 0.000 2.084 763 N HA -0.215 4.518 4.740 -0.010 0.000 0.190 763 N C 1.862 177.203 175.510 -0.282 0.000 1.030 763 N CA 1.897 54.930 53.050 -0.028 0.000 0.849 763 N CB -0.294 38.272 38.487 0.131 0.000 1.012 763 N HN 0.329 nan 8.380 nan 0.000 0.423 764 M N -0.191 119.285 119.600 -0.206 0.000 2.086 764 M HA -0.102 4.371 4.480 -0.010 0.000 0.261 764 M C 1.479 177.579 176.300 -0.333 0.000 1.067 764 M CA 1.319 56.420 55.300 -0.332 0.000 1.116 764 M CB -0.707 31.930 32.600 0.062 0.000 1.348 764 M HN 0.225 nan 8.290 nan 0.000 0.407 765 L N 0.706 121.776 121.223 -0.255 0.000 2.079 765 L HA -0.205 4.128 4.340 -0.010 0.000 0.210 765 L C 2.421 178.952 176.870 -0.565 0.000 1.081 765 L CA 1.654 56.253 54.840 -0.401 0.000 0.752 765 L CB -0.978 40.906 42.059 -0.292 0.000 0.896 765 L HN 0.354 nan 8.230 nan 0.000 0.433 766 M N -2.156 117.156 119.600 -0.480 0.000 2.334 766 M HA -0.025 4.449 4.480 -0.010 0.000 0.266 766 M C 1.716 177.589 176.300 -0.711 0.000 1.082 766 M CA 1.247 56.189 55.300 -0.597 0.000 1.141 766 M CB -0.691 31.465 32.600 -0.741 0.000 1.380 766 M HN 0.315 nan 8.290 nan 0.000 0.440 767 H N -1.618 117.268 119.070 -0.306 0.000 3.205 767 H HA 0.205 4.755 4.556 -0.010 0.000 0.252 767 H C -0.013 175.224 175.328 -0.152 0.000 1.015 767 H CA 0.577 56.486 56.048 -0.232 0.000 1.192 767 H CB 0.287 29.956 29.762 -0.156 0.000 1.474 767 H HN 0.535 nan 8.280 nan 0.000 0.484 768 H N -1.304 117.815 119.070 0.083 0.000 2.806 768 H HA 0.274 4.823 4.556 -0.011 0.000 0.218 768 H C -1.283 174.061 175.328 0.027 0.000 1.392 768 H CA -0.697 55.389 56.048 0.064 0.000 1.358 768 H CB -0.105 29.697 29.762 0.068 0.000 1.944 768 H HN -0.120 nan 8.280 nan 0.000 0.530 769 D N 1.371 121.802 120.400 0.053 0.000 2.411 769 D HA 0.161 4.795 4.640 -0.010 0.000 0.225 769 D C 0.845 177.090 176.300 -0.093 0.000 1.156 769 D CA -0.511 53.492 54.000 0.005 0.000 0.874 769 D CB 0.760 41.536 40.800 -0.040 0.000 1.034 769 D HN 0.486 nan 8.370 nan 0.000 0.502 770 R N 2.302 122.648 120.500 -0.257 0.000 2.237 770 R HA -0.033 4.300 4.340 -0.010 0.000 0.219 770 R C 0.575 176.353 176.300 -0.871 0.000 1.080 770 R CA 0.851 56.585 56.100 -0.609 0.000 0.995 770 R CB 0.090 29.842 30.300 -0.914 0.000 0.875 770 R HN 0.403 nan 8.270 nan 0.000 0.462 771 F N 0.533 120.451 119.950 -0.053 0.000 2.639 771 F HA 0.261 4.782 4.527 -0.010 0.000 0.302 771 F C 0.051 175.730 175.800 -0.201 0.000 1.097 771 F CA -0.725 57.225 58.000 -0.083 0.000 1.294 771 F CB 0.109 39.121 39.000 0.020 0.000 1.027 771 F HN -0.245 nan 8.300 nan 0.000 0.550 772 K N -0.367 119.833 120.400 -0.334 0.000 3.278 772 K HA -0.187 4.127 4.320 -0.010 0.000 0.270 772 K C 1.034 177.511 176.600 -0.205 0.000 0.955 772 K CA 0.180 56.103 56.287 -0.606 0.000 0.723 772 K CB -1.808 30.256 32.500 -0.726 0.000 1.382 772 K HN 0.220 nan 8.250 nan 0.000 0.461 773 V N 0.101 119.972 119.914 -0.071 0.000 2.255 773 V HA -0.296 3.817 4.120 -0.010 0.000 0.247 773 V C 1.982 178.213 176.094 0.229 0.000 1.051 773 V CA 2.335 64.675 62.300 0.066 0.000 1.018 773 V CB -0.502 31.361 31.823 0.068 0.000 0.641 773 V HN 0.516 nan 8.190 nan 0.000 0.445 774 F N 0.245 120.194 119.950 -0.002 0.000 2.161 774 F HA -0.216 4.305 4.527 -0.011 0.000 0.300 774 F C 2.559 178.172 175.800 -0.311 0.000 1.089 774 F CA 0.699 58.649 58.000 -0.084 0.000 1.282 774 F CB -0.462 38.488 39.000 -0.083 0.000 1.010 774 F HN 0.206 nan 8.300 nan 0.000 0.485 775 A N -0.403 122.250 122.820 -0.278 0.000 2.024 775 A HA -0.219 4.095 4.320 -0.010 0.000 0.220 775 A C 1.458 179.056 177.584 0.024 0.000 1.164 775 A CA 2.047 53.864 52.037 -0.366 0.000 0.643 775 A CB -0.496 18.399 19.000 -0.176 0.000 0.806 775 A HN 0.259 nan 8.150 nan 0.000 0.451 776 D N -2.969 117.497 120.400 0.108 0.000 2.398 776 D HA 0.104 4.738 4.640 -0.010 0.000 0.210 776 D C 1.110 177.581 176.300 0.286 0.000 1.094 776 D CA -0.092 54.042 54.000 0.223 0.000 0.839 776 D CB -0.104 40.835 40.800 0.232 0.000 0.963 776 D HN 0.594 nan 8.370 nan 0.000 0.506 777 Y N 2.026 122.419 120.300 0.154 0.000 2.097 777 Y HA -0.222 4.322 4.550 -0.010 0.000 0.282 777 Y C 2.131 178.124 175.900 0.156 0.000 1.152 777 Y CA 1.900 60.098 58.100 0.163 0.000 1.136 777 Y CB 0.200 38.724 38.460 0.107 0.000 0.975 777 Y HN -0.106 nan 8.280 nan 0.000 0.498 778 E N -0.055 120.217 120.200 0.120 0.000 2.038 778 E HA -0.266 4.078 4.350 -0.010 0.000 0.195 778 E C 2.232 178.804 176.600 -0.047 0.000 1.000 778 E CA 1.576 57.972 56.400 -0.007 0.000 0.803 778 E CB -0.189 29.608 29.700 0.162 0.000 0.750 778 E HN 0.606 nan 8.360 nan 0.000 0.448 779 E N -0.423 119.828 120.200 0.086 0.000 2.153 779 E HA -0.203 4.141 4.350 -0.010 0.000 0.194 779 E C 1.881 178.485 176.600 0.006 0.000 0.988 779 E CA 0.694 57.165 56.400 0.119 0.000 0.811 779 E CB -0.069 29.792 29.700 0.269 0.000 0.746 779 E HN 0.259 nan 8.360 nan 0.000 0.466 780 Y N 0.903 121.034 120.300 -0.281 0.000 2.114 780 Y HA -0.224 4.320 4.550 -0.011 0.000 0.284 780 Y C 2.091 177.600 175.900 -0.652 0.000 1.143 780 Y CA 1.124 58.738 58.100 -0.811 0.000 1.135 780 Y CB -0.545 37.497 38.460 -0.697 0.000 0.980 780 Y HN -0.188 nan 8.280 nan 0.000 0.499 781 V N 0.474 120.031 119.914 -0.595 0.000 2.332 781 V HA -0.305 3.809 4.120 -0.010 0.000 0.248 781 V C 2.360 178.214 176.094 -0.399 0.000 1.055 781 V CA 2.312 64.270 62.300 -0.570 0.000 1.038 781 V CB -0.682 30.845 31.823 -0.493 0.000 0.651 781 V HN 0.210 nan 8.190 nan 0.000 0.450 782 K N -0.450 119.784 120.400 -0.276 0.000 2.026 782 K HA -0.182 4.131 4.320 -0.010 0.000 0.208 782 K C 2.259 178.756 176.600 -0.172 0.000 1.048 782 K CA 1.880 58.071 56.287 -0.160 0.000 0.929 782 K CB -1.014 31.444 32.500 -0.071 0.000 0.713 782 K HN 0.538 nan 8.250 nan 0.000 0.439 783 C N 0.811 119.980 119.300 -0.217 0.000 2.429 783 C HA -0.089 4.365 4.460 -0.010 0.000 0.277 783 C C 2.446 177.232 174.990 -0.339 0.000 1.262 783 C CA 0.776 59.687 59.018 -0.179 0.000 1.733 783 C CB -0.740 26.911 27.740 -0.148 0.000 2.010 783 C HN 0.478 nan 8.230 nan 0.000 0.483 784 Q N 0.406 119.869 119.800 -0.561 0.000 2.226 784 Q HA -0.158 4.176 4.340 -0.010 0.000 0.204 784 Q C 2.010 177.801 176.000 -0.347 0.000 0.975 784 Q CA 1.533 56.971 55.803 -0.608 0.000 0.866 784 Q CB -0.351 27.789 28.738 -0.997 0.000 0.915 784 Q HN 0.769 nan 8.270 nan 0.000 0.440 785 E N 0.208 120.261 120.200 -0.244 0.000 2.072 785 E HA -0.118 4.225 4.350 -0.010 0.000 0.191 785 E C 2.039 178.584 176.600 -0.091 0.000 0.985 785 E CA 0.472 56.794 56.400 -0.131 0.000 0.801 785 E CB -0.046 29.600 29.700 -0.091 0.000 0.750 785 E HN 0.277 nan 8.360 nan 0.000 0.452 786 R N 0.614 121.062 120.500 -0.087 0.000 2.115 786 R HA -0.076 4.258 4.340 -0.010 0.000 0.230 786 R C 2.404 178.677 176.300 -0.045 0.000 1.111 786 R CA 0.802 56.912 56.100 0.017 0.000 0.976 786 R CB -0.275 30.108 30.300 0.138 0.000 0.870 786 R HN 0.053 nan 8.270 nan 0.000 0.445 787 V N 0.540 120.237 119.914 -0.361 0.000 2.307 787 V HA -0.224 3.890 4.120 -0.010 0.000 0.245 787 V C 2.146 178.224 176.094 -0.027 0.000 1.045 787 V CA 1.946 63.949 62.300 -0.496 0.000 1.024 787 V CB -0.325 31.107 31.823 -0.653 0.000 0.651 787 V HN 0.277 nan 8.190 nan 0.000 0.449 788 S N 0.176 115.832 115.700 -0.074 0.000 2.399 788 S HA -0.153 4.310 4.470 -0.010 0.000 0.231 788 S C 2.186 176.844 174.600 0.096 0.000 1.022 788 S CA 1.317 59.512 58.200 -0.008 0.000 0.983 788 S CB -0.451 62.714 63.200 -0.059 0.000 0.803 788 S HN 0.646 nan 8.310 nan 0.000 0.480 789 A N 1.380 124.255 122.820 0.093 0.000 1.902 789 A HA 0.018 4.332 4.320 -0.010 0.000 0.217 789 A C 2.092 179.790 177.584 0.190 0.000 1.181 789 A CA 1.042 53.155 52.037 0.126 0.000 0.623 789 A CB -0.679 18.384 19.000 0.105 0.000 0.818 789 A HN 0.460 nan 8.150 nan 0.000 0.443 790 L N -2.085 119.310 121.223 0.286 0.000 2.093 790 L HA -0.142 4.192 4.340 -0.010 0.000 0.208 790 L C 2.469 179.621 176.870 0.470 0.000 1.085 790 L CA 1.651 56.736 54.840 0.409 0.000 0.755 790 L CB -0.387 42.018 42.059 0.578 0.000 0.904 790 L HN 0.588 nan 8.230 nan 0.000 0.435 791 Y N 1.014 121.466 120.300 0.252 0.000 2.333 791 Y HA -0.258 4.287 4.550 -0.009 0.000 0.290 791 Y C 2.335 178.176 175.900 -0.098 0.000 1.144 791 Y CA 1.542 59.529 58.100 -0.188 0.000 1.228 791 Y CB -0.071 38.073 38.460 -0.528 0.000 0.985 791 Y HN 0.078 nan 8.280 nan 0.000 0.542 792 K N -0.215 120.230 120.400 0.076 0.000 2.442 792 K HA -0.109 4.205 4.320 -0.010 0.000 0.198 792 K C 0.410 176.995 176.600 -0.024 0.000 1.042 792 K CA 0.634 56.943 56.287 0.037 0.000 0.958 792 K CB -0.054 32.511 32.500 0.109 0.000 0.766 792 K HN 0.059 nan 8.250 nan 0.000 0.474 793 N N 0.627 119.327 118.700 0.002 0.000 2.976 793 N HA 0.132 4.865 4.740 -0.010 0.000 0.255 793 N C -2.437 173.073 175.510 -0.001 0.000 1.312 793 N CA -2.121 50.935 53.050 0.010 0.000 0.897 793 N CB 1.105 39.630 38.487 0.065 0.000 1.184 793 N HN -0.196 nan 8.380 nan 0.000 0.497 794 P HA -0.255 nan 4.420 nan 0.000 0.219 794 P C 1.425 178.729 177.300 0.007 0.000 1.161 794 P CA 1.461 64.482 63.100 -0.131 0.000 0.909 794 P CB 0.300 31.904 31.700 -0.161 0.000 0.793 795 R N -0.148 120.358 120.500 0.010 0.000 2.083 795 R HA -0.181 4.153 4.340 -0.010 0.000 0.237 795 R C 1.987 178.328 176.300 0.068 0.000 1.137 795 R CA 1.616 57.736 56.100 0.033 0.000 0.951 795 R CB -0.471 29.840 30.300 0.019 0.000 0.851 795 R HN 0.118 nan 8.270 nan 0.000 0.434 796 E N -0.102 120.148 120.200 0.083 0.000 2.152 796 E HA -0.209 4.135 4.350 -0.010 0.000 0.192 796 E C 1.611 178.288 176.600 0.129 0.000 0.983 796 E CA 0.623 57.077 56.400 0.089 0.000 0.818 796 E CB -0.418 29.333 29.700 0.085 0.000 0.758 796 E HN 0.539 nan 8.360 nan 0.000 0.467 797 W N 2.175 123.472 121.300 -0.005 0.000 2.355 797 W HA -0.157 4.496 4.660 -0.012 0.000 0.309 797 W C 1.544 178.069 176.519 0.010 0.000 1.206 797 W CA 1.927 59.285 57.345 0.021 0.000 1.284 797 W CB -0.384 29.063 29.460 -0.022 0.000 1.145 797 W HN 0.009 nan 8.180 nan 0.000 0.502 798 T N 1.283 115.985 114.554 0.247 0.000 2.821 798 T HA -0.157 4.186 4.350 -0.010 0.000 0.267 798 T C 1.855 176.571 174.700 0.027 0.000 1.046 798 T CA 1.647 63.822 62.100 0.126 0.000 1.139 798 T CB -0.250 68.669 68.868 0.085 0.000 0.871 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.442 120.960 120.500 0.031 0.000 2.115 799 R HA 0.109 4.443 4.340 -0.010 0.000 0.230 799 R C 2.471 178.763 176.300 -0.014 0.000 1.111 799 R CA 1.091 57.207 56.100 0.026 0.000 0.976 799 R CB -0.317 30.003 30.300 0.034 0.000 0.870 799 R HN 0.367 nan 8.270 nan 0.000 0.445 800 M N 0.478 120.033 119.600 -0.075 0.000 2.254 800 M HA -0.117 4.356 4.480 -0.010 0.000 0.265 800 M C 1.898 178.107 176.300 -0.152 0.000 1.066 800 M CA 1.263 56.479 55.300 -0.140 0.000 1.123 800 M CB 0.230 32.684 32.600 -0.244 0.000 1.388 800 M HN -0.025 nan 8.290 nan 0.000 0.425 801 V N 0.894 120.705 119.914 -0.171 0.000 2.295 801 V HA -0.309 3.804 4.120 -0.010 0.000 0.246 801 V C 2.210 178.289 176.094 -0.025 0.000 1.049 801 V CA 1.972 64.202 62.300 -0.116 0.000 1.024 801 V CB -0.581 31.205 31.823 -0.062 0.000 0.648 801 V HN 0.500 nan 8.190 nan 0.000 0.447 802 I N -0.559 120.018 120.570 0.011 0.000 2.264 802 I HA -0.278 3.886 4.170 -0.010 0.000 0.248 802 I C 2.699 178.865 176.117 0.083 0.000 1.111 802 I CA 1.599 62.951 61.300 0.087 0.000 1.382 802 I CB -0.421 37.679 38.000 0.168 0.000 1.060 802 I HN 0.220 nan 8.210 nan 0.000 0.418 803 R N 0.372 120.898 120.500 0.043 0.000 2.148 803 R HA -0.101 4.233 4.340 -0.010 0.000 0.227 803 R C 2.009 178.340 176.300 0.052 0.000 1.103 803 R CA 1.011 57.135 56.100 0.040 0.000 0.983 803 R CB -0.321 29.986 30.300 0.012 0.000 0.874 803 R HN 0.531 nan 8.270 nan 0.000 0.451 804 N N 0.579 119.304 118.700 0.041 0.000 2.148 804 N HA -0.059 4.674 4.740 -0.010 0.000 0.186 804 N C 1.945 177.513 175.510 0.097 0.000 1.031 804 N CA 1.012 54.108 53.050 0.077 0.000 0.848 804 N CB 0.013 38.518 38.487 0.031 0.000 1.005 804 N HN 0.110 nan 8.380 nan 0.000 0.427 805 I N 1.698 122.314 120.570 0.076 0.000 2.208 805 I HA -0.252 3.912 4.170 -0.010 0.000 0.245 805 I C 2.472 178.639 176.117 0.084 0.000 1.097 805 I CA 0.938 62.288 61.300 0.083 0.000 1.363 805 I CB -0.360 37.683 38.000 0.071 0.000 1.051 805 I HN 0.092 nan 8.210 nan 0.000 0.413 806 A N 0.418 123.287 122.820 0.082 0.000 2.019 806 A HA -0.182 4.132 4.320 -0.010 0.000 0.219 806 A C 2.104 179.725 177.584 0.062 0.000 1.164 806 A CA 2.160 54.236 52.037 0.065 0.000 0.644 806 A CB -0.888 18.153 19.000 0.069 0.000 0.805 806 A HN 0.547 nan 8.150 nan 0.000 0.449 807 T N -2.848 111.757 114.554 0.086 0.000 3.176 807 T HA 0.201 4.545 4.350 -0.010 0.000 0.263 807 T C 1.101 175.893 174.700 0.154 0.000 1.021 807 T CA 0.625 62.780 62.100 0.091 0.000 0.905 807 T CB -0.168 68.753 68.868 0.087 0.000 1.057 807 T HN 0.486 nan 8.240 nan 0.000 0.558 808 S N 0.003 115.812 115.700 0.181 0.000 2.593 808 S HA 0.255 4.718 4.470 -0.010 0.000 0.217 808 S C 2.205 176.936 174.600 0.218 0.000 0.966 808 S CA 0.239 58.626 58.200 0.311 0.000 0.914 808 S CB -0.592 62.763 63.200 0.258 0.000 0.776 808 S HN 0.521 nan 8.310 nan 0.000 0.523 809 G N 2.779 111.629 108.800 0.082 0.000 2.469 809 G HA2 -0.307 3.646 3.960 -0.010 0.000 0.219 809 G HA3 -0.307 3.646 3.960 -0.010 0.000 0.219 809 G C 1.320 176.166 174.900 -0.089 0.000 1.150 809 G CA 1.083 46.196 45.100 0.021 0.000 0.763 809 G HN 0.609 nan 8.290 nan 0.000 0.561 810 K N -0.118 120.108 120.400 -0.290 0.000 2.211 810 K HA -0.052 4.261 4.320 -0.010 0.000 0.204 810 K C 1.234 177.479 176.600 -0.592 0.000 1.047 810 K CA 0.793 56.767 56.287 -0.522 0.000 0.935 810 K CB -0.278 31.736 32.500 -0.809 0.000 0.728 810 K HN 0.417 nan 8.250 nan 0.000 0.452 811 F N 0.878 120.857 119.950 0.048 0.000 2.664 811 F HA 0.130 4.650 4.527 -0.011 0.000 0.301 811 F C 0.781 176.626 175.800 0.076 0.000 1.126 811 F CA -0.566 57.470 58.000 0.059 0.000 1.373 811 F CB 0.366 39.398 39.000 0.053 0.000 1.042 811 F HN -0.118 nan 8.300 nan 0.000 0.535 812 S N 0.238 116.016 115.700 0.131 0.000 2.545 812 S HA 0.103 4.567 4.470 -0.010 0.000 0.275 812 S C 1.400 176.081 174.600 0.135 0.000 1.299 812 S CA -0.283 57.995 58.200 0.130 0.000 1.048 812 S CB 0.884 64.131 63.200 0.077 0.000 0.938 812 S HN 0.330 nan 8.310 nan 0.000 0.496 813 S N 3.148 118.954 115.700 0.176 0.000 2.547 813 S HA -0.062 4.402 4.470 -0.010 0.000 0.235 813 S C 0.877 175.536 174.600 0.098 0.000 0.980 813 S CA 0.597 58.925 58.200 0.212 0.000 0.941 813 S CB -0.305 63.096 63.200 0.335 0.000 0.763 813 S HN 0.781 nan 8.310 nan 0.000 0.532 814 D N 1.836 122.275 120.400 0.066 0.000 2.144 814 D HA -0.053 4.580 4.640 -0.010 0.000 0.200 814 D C 2.109 178.414 176.300 0.009 0.000 0.978 814 D CA 0.665 54.681 54.000 0.027 0.000 0.833 814 D CB -0.289 40.523 40.800 0.020 0.000 0.961 814 D HN 0.290 nan 8.370 nan 0.000 0.470 815 R N 0.917 121.424 120.500 0.011 0.000 2.075 815 R HA -0.071 4.263 4.340 -0.010 0.000 0.232 815 R C 1.812 178.103 176.300 -0.014 0.000 1.126 815 R CA 1.274 57.366 56.100 -0.014 0.000 0.963 815 R CB -0.758 29.520 30.300 -0.036 0.000 0.858 815 R HN 0.097 nan 8.270 nan 0.000 0.435 816 T N 2.287 116.855 114.554 0.023 0.000 2.652 816 T HA -0.116 4.228 4.350 -0.010 0.000 0.267 816 T C 1.933 176.637 174.700 0.007 0.000 1.039 816 T CA 1.390 63.521 62.100 0.051 0.000 1.153 816 T CB -0.133 68.838 68.868 0.171 0.000 0.863 816 T HN 0.098 nan 8.240 nan 0.000 0.428 817 I N 1.692 122.190 120.570 -0.120 0.000 2.286 817 I HA -0.097 4.067 4.170 -0.010 0.000 0.248 817 I C 2.893 178.968 176.117 -0.070 0.000 1.115 817 I CA 0.934 62.128 61.300 -0.177 0.000 1.392 817 I CB -1.601 36.300 38.000 -0.165 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.181 122.978 122.820 -0.039 0.000 1.933 818 A HA -0.223 4.090 4.320 -0.010 0.000 0.218 818 A C 2.240 179.782 177.584 -0.069 0.000 1.175 818 A CA 1.331 53.351 52.037 -0.027 0.000 0.628 818 A CB -0.501 18.488 19.000 -0.019 0.000 0.814 818 A HN 0.513 nan 8.150 nan 0.000 0.444 819 Q N -1.905 117.835 119.800 -0.100 0.000 2.083 819 Q HA -0.145 4.189 4.340 -0.010 0.000 0.198 819 Q C 1.893 177.726 176.000 -0.279 0.000 0.969 819 Q CA 1.516 57.220 55.803 -0.165 0.000 0.838 819 Q CB -0.289 28.341 28.738 -0.180 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.644 120.649 120.300 -0.491 0.000 2.181 820 Y HA -0.261 4.283 4.550 -0.011 0.000 0.288 820 Y C 2.480 177.796 175.900 -0.973 0.000 1.146 820 Y CA 1.254 58.806 58.100 -0.912 0.000 1.164 820 Y CB -0.351 37.248 38.460 -1.435 0.000 0.982 820 Y HN 0.152 nan 8.280 nan 0.000 0.515 821 A N 0.266 122.857 122.820 -0.382 0.000 1.877 821 A HA -0.209 4.105 4.320 -0.010 0.000 0.216 821 A C 2.235 179.841 177.584 0.035 0.000 1.186 821 A CA 1.947 54.017 52.037 0.055 0.000 0.620 821 A CB -0.489 18.622 19.000 0.185 0.000 0.822 821 A HN 0.418 nan 8.150 nan 0.000 0.443 822 R N -0.609 119.868 120.500 -0.038 0.000 2.080 822 R HA -0.010 4.324 4.340 -0.010 0.000 0.222 822 R C 1.770 178.047 176.300 -0.038 0.000 1.107 822 R CA 1.363 57.452 56.100 -0.019 0.000 0.980 822 R CB -0.194 30.090 30.300 -0.027 0.000 0.879 822 R HN 0.654 nan 8.270 nan 0.000 0.439 823 E N -0.258 119.879 120.200 -0.105 0.000 2.447 823 E HA 0.076 4.420 4.350 -0.010 0.000 0.195 823 E C 1.404 177.952 176.600 -0.086 0.000 1.028 823 E CA 0.522 56.863 56.400 -0.098 0.000 0.876 823 E CB 0.498 30.112 29.700 -0.143 0.000 0.885 823 E HN 0.332 nan 8.360 nan 0.000 0.500 824 I N -1.247 119.242 120.570 -0.135 0.000 3.878 824 I HA 0.022 4.186 4.170 -0.010 0.000 0.273 824 I C 1.284 177.533 176.117 0.220 0.000 1.165 824 I CA -0.101 61.175 61.300 -0.039 0.000 1.360 824 I CB 0.248 38.082 38.000 -0.276 0.000 1.539 824 I HN 0.103 nan 8.210 nan 0.000 0.447 825 W N 1.678 123.069 121.300 0.153 0.000 2.658 825 W HA 0.316 4.970 4.660 -0.010 0.000 0.263 825 W C 1.474 178.031 176.519 0.063 0.000 1.274 825 W CA 0.862 58.280 57.345 0.121 0.000 1.343 825 W CB -1.065 28.453 29.460 0.097 0.000 1.106 825 W HN 0.327 nan 8.180 nan 0.000 0.615 826 G N 1.160 110.102 108.800 0.236 0.000 2.256 826 G HA2 -0.088 3.866 3.960 -0.010 0.000 0.272 826 G HA3 -0.088 3.866 3.960 -0.010 0.000 0.272 826 G C -0.362 174.613 174.900 0.124 0.000 1.076 826 G CA 0.209 45.389 45.100 0.134 0.000 0.882 826 G HN 0.451 nan 8.290 nan 0.000 0.497 827 V N -4.345 115.661 119.914 0.152 0.000 3.007 827 V HA 0.902 5.015 4.120 -0.010 0.000 0.311 827 V C -0.436 175.719 176.094 0.101 0.000 1.120 827 V CA -1.691 60.679 62.300 0.117 0.000 0.980 827 V CB 2.328 34.230 31.823 0.131 0.000 1.033 827 V HN 0.137 nan 8.190 nan 0.000 0.429 828 E N 3.910 124.152 120.200 0.070 0.000 2.174 828 E HA 0.507 4.851 4.350 -0.010 0.000 0.282 828 E C -2.503 174.134 176.600 0.061 0.000 0.992 828 E CA -1.769 54.665 56.400 0.057 0.000 0.803 828 E CB 1.837 31.563 29.700 0.042 0.000 1.090 828 E HN 0.766 nan 8.360 nan 0.000 0.396 829 P HA 0.090 nan 4.420 nan 0.000 0.275 829 P C -0.486 176.843 177.300 0.048 0.000 1.228 829 P CA -0.302 62.833 63.100 0.057 0.000 0.786 829 P CB 1.060 32.790 31.700 0.049 0.000 0.927 830 S N 1.359 117.089 115.700 0.050 0.000 2.538 830 S HA 0.371 4.835 4.470 -0.010 0.000 0.288 830 S C 0.436 175.060 174.600 0.041 0.000 1.108 830 S CA -0.758 57.470 58.200 0.047 0.000 0.971 830 S CB 0.967 64.202 63.200 0.058 0.000 1.041 830 S HN 0.284 nan 8.310 nan 0.000 0.483 831 R N 2.378 122.898 120.500 0.033 0.000 2.468 831 R HA 0.219 4.553 4.340 -0.010 0.000 0.280 831 R C -0.226 176.086 176.300 0.021 0.000 0.963 831 R CA -0.002 56.116 56.100 0.030 0.000 1.083 831 R CB 0.280 30.598 30.300 0.029 0.000 1.200 831 R HN 0.684 nan 8.270 nan 0.000 0.541 832 Q N 0.983 120.795 119.800 0.020 0.000 2.304 832 Q HA 0.171 4.505 4.340 -0.010 0.000 0.260 832 Q C -0.245 175.749 176.000 -0.010 0.000 0.965 832 Q CA -0.033 55.775 55.803 0.008 0.000 0.898 832 Q CB 1.136 29.883 28.738 0.016 0.000 1.196 832 Q HN -0.200 nan 8.270 nan 0.000 0.402 833 R N 1.325 121.811 120.500 -0.024 0.000 2.615 833 R HA 0.359 4.692 4.340 -0.010 0.000 0.270 833 R C -0.487 175.773 176.300 -0.066 0.000 1.081 833 R CA -0.019 56.054 56.100 -0.045 0.000 1.154 833 R CB 0.472 30.744 30.300 -0.046 0.000 1.063 833 R HN 0.489 nan 8.270 nan 0.000 0.519 834 L N 3.520 124.688 121.223 -0.092 0.000 2.331 834 L HA 0.513 4.846 4.340 -0.010 0.000 0.275 834 L C -1.919 174.895 176.870 -0.093 0.000 1.022 834 L CA -2.291 52.468 54.840 -0.134 0.000 0.812 834 L CB 1.959 43.900 42.059 -0.197 0.000 1.257 834 L HN 0.465 nan 8.230 nan 0.000 0.435 835 P HA 0.104 nan 4.420 nan 0.000 0.267 835 P C -0.799 176.475 177.300 -0.045 0.000 1.209 835 P CA -0.107 62.963 63.100 -0.050 0.000 0.763 835 P CB 1.188 32.866 31.700 -0.036 0.000 0.816 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486