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 3mqf_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 XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 13 I N -0.061 120.497 120.570 -0.020 0.000 2.562 13 I HA 0.457 4.621 4.170 -0.009 0.000 0.301 13 I C 0.738 176.855 176.117 -0.001 0.000 1.003 13 I CA 0.117 61.413 61.300 -0.006 0.000 1.127 13 I CB 1.825 39.825 38.000 0.001 0.000 1.304 13 I HN 0.282 nan 8.210 nan 0.000 0.446 14 S N 3.673 119.378 115.700 0.008 0.000 2.368 14 S HA -0.126 4.338 4.470 -0.009 0.000 0.225 14 S C 1.761 176.370 174.600 0.014 0.000 1.030 14 S CA 1.962 60.168 58.200 0.010 0.000 0.999 14 S CB -0.490 62.720 63.200 0.017 0.000 0.844 14 S HN 0.748 nan 8.310 nan 0.000 0.459 15 V N -0.097 119.833 119.914 0.027 0.000 3.078 15 V HA 0.131 4.245 4.120 -0.009 0.000 0.265 15 V C 1.896 178.004 176.094 0.024 0.000 1.122 15 V CA 1.228 63.548 62.300 0.033 0.000 1.141 15 V CB -0.959 30.893 31.823 0.049 0.000 0.735 15 V HN 0.354 nan 8.190 nan 0.000 0.498 16 R N 1.216 121.721 120.500 0.008 0.000 2.313 16 R HA 0.411 4.745 4.340 -0.009 0.000 0.199 16 R C 1.171 177.461 176.300 -0.018 0.000 0.958 16 R CA 0.598 56.696 56.100 -0.004 0.000 1.047 16 R CB -0.077 30.217 30.300 -0.011 0.000 0.955 16 R HN 0.781 nan 8.270 nan 0.000 0.481 17 G N 0.547 109.336 108.800 -0.018 0.000 2.685 17 G HA2 -0.209 3.746 3.960 -0.009 0.000 0.387 17 G HA3 -0.209 3.746 3.960 -0.009 0.000 0.387 17 G C -0.988 173.895 174.900 -0.028 0.000 1.324 17 G CA -1.070 44.011 45.100 -0.031 0.000 0.878 17 G HN -0.034 nan 8.290 nan 0.000 0.527 18 L N 0.495 121.699 121.223 -0.032 0.000 2.375 18 L HA 0.677 5.012 4.340 -0.009 0.000 0.271 18 L C 1.209 178.063 176.870 -0.026 0.000 1.107 18 L CA 0.442 55.267 54.840 -0.026 0.000 0.806 18 L CB 1.124 43.169 42.059 -0.024 0.000 1.146 18 L HN 1.594 nan 8.230 nan 0.000 0.447 19 A N 2.476 125.284 122.820 -0.020 0.000 3.047 19 A HA 0.601 4.915 4.320 -0.009 0.000 0.337 19 A C 0.560 178.139 177.584 -0.009 0.000 1.143 19 A CA -0.343 51.684 52.037 -0.016 0.000 0.905 19 A CB -0.114 18.875 19.000 -0.017 0.000 1.088 19 A HN 0.776 nan 8.150 nan 0.000 0.488 20 G N -0.387 108.409 108.800 -0.007 0.000 2.527 20 G HA2 0.356 4.310 3.960 -0.009 0.000 0.248 20 G HA3 0.356 4.310 3.960 -0.009 0.000 0.248 20 G C 1.088 175.991 174.900 0.006 0.000 1.231 20 G CA 0.276 45.376 45.100 -0.001 0.000 0.838 20 G HN 0.809 nan 8.290 nan 0.000 0.570 21 V N 1.118 121.037 119.914 0.008 0.000 2.332 21 V HA -0.155 3.960 4.120 -0.009 0.000 0.248 21 V C 2.598 178.702 176.094 0.016 0.000 1.055 21 V CA 2.860 65.167 62.300 0.012 0.000 1.038 21 V CB -0.432 31.397 31.823 0.010 0.000 0.651 21 V HN 0.887 nan 8.190 nan 0.000 0.450 22 E N 0.085 120.295 120.200 0.017 0.000 2.077 22 E HA -0.204 4.140 4.350 -0.009 0.000 0.193 22 E C 2.013 178.632 176.600 0.033 0.000 0.989 22 E CA 1.830 58.244 56.400 0.023 0.000 0.800 22 E CB -0.221 29.491 29.700 0.021 0.000 0.746 22 E HN 0.695 nan 8.360 nan 0.000 0.452 23 N N -0.811 117.906 118.700 0.029 0.000 2.084 23 N HA -0.136 4.598 4.740 -0.009 0.000 0.190 23 N C 1.616 177.151 175.510 0.041 0.000 1.030 23 N CA 1.196 54.269 53.050 0.037 0.000 0.849 23 N CB -0.101 38.394 38.487 0.013 0.000 1.012 23 N HN -0.026 nan 8.380 nan 0.000 0.423 24 V N 0.219 120.149 119.914 0.027 0.000 2.343 24 V HA -0.241 3.874 4.120 -0.009 0.000 0.247 24 V C 2.052 178.166 176.094 0.035 0.000 1.051 24 V CA 1.924 64.239 62.300 0.026 0.000 1.036 24 V CB -0.964 30.869 31.823 0.017 0.000 0.654 24 V HN 0.414 nan 8.190 nan 0.000 0.451 25 T N -0.659 113.915 114.554 0.034 0.000 2.684 25 T HA -0.235 4.109 4.350 -0.009 0.000 0.267 25 T C 1.938 176.670 174.700 0.054 0.000 1.036 25 T CA 1.849 63.971 62.100 0.036 0.000 1.148 25 T CB -0.224 68.662 68.868 0.029 0.000 0.863 25 T HN 0.407 nan 8.240 nan 0.000 0.436 26 E N 0.748 120.986 120.200 0.064 0.000 2.072 26 E HA 0.035 4.380 4.350 -0.009 0.000 0.191 26 E C 2.097 178.771 176.600 0.122 0.000 0.985 26 E CA 0.663 57.113 56.400 0.084 0.000 0.801 26 E CB -0.477 29.276 29.700 0.088 0.000 0.750 26 E HN 0.422 nan 8.360 nan 0.000 0.452 27 L N 0.227 121.529 121.223 0.133 0.000 2.012 27 L HA -0.234 4.101 4.340 -0.009 0.000 0.210 27 L C 2.342 179.315 176.870 0.172 0.000 1.073 27 L CA 1.512 56.453 54.840 0.168 0.000 0.748 27 L CB -0.332 41.800 42.059 0.121 0.000 0.891 27 L HN 0.072 nan 8.230 nan 0.000 0.431 28 K N -0.011 120.453 120.400 0.106 0.000 2.057 28 K HA -0.194 4.120 4.320 -0.009 0.000 0.207 28 K C 2.162 178.858 176.600 0.160 0.000 1.049 28 K CA 1.413 57.758 56.287 0.095 0.000 0.931 28 K CB -0.061 32.459 32.500 0.032 0.000 0.714 28 K HN 0.229 nan 8.250 nan 0.000 0.440 29 K N 0.434 120.908 120.400 0.124 0.000 2.057 29 K HA -0.076 4.239 4.320 -0.009 0.000 0.207 29 K C 1.832 178.512 176.600 0.133 0.000 1.049 29 K CA 1.156 57.509 56.287 0.109 0.000 0.931 29 K CB -0.059 32.484 32.500 0.071 0.000 0.714 29 K HN 0.145 nan 8.250 nan 0.000 0.440 30 N N 0.407 119.200 118.700 0.154 0.000 2.270 30 N HA -0.121 4.613 4.740 -0.009 0.000 0.181 30 N C 1.635 177.287 175.510 0.236 0.000 1.016 30 N CA 0.796 53.932 53.050 0.143 0.000 0.870 30 N CB -0.157 38.425 38.487 0.158 0.000 0.979 30 N HN 0.104 nan 8.380 nan 0.000 0.431 31 F N 2.515 122.559 119.950 0.156 0.000 2.102 31 F HA -0.106 4.415 4.527 -0.009 0.000 0.298 31 F C 1.967 177.863 175.800 0.160 0.000 1.105 31 F CA 1.259 59.365 58.000 0.177 0.000 1.239 31 F CB -0.102 38.976 39.000 0.130 0.000 0.991 31 F HN -0.037 nan 8.300 nan 0.000 0.474 32 N N 0.427 119.334 118.700 0.343 0.000 2.188 32 N HA -0.169 4.565 4.740 -0.009 0.000 0.184 32 N C 2.002 177.578 175.510 0.109 0.000 1.018 32 N CA 1.068 54.245 53.050 0.211 0.000 0.858 32 N CB -0.533 38.063 38.487 0.181 0.000 0.989 32 N HN 0.371 nan 8.380 nan 0.000 0.426 33 R N 0.144 120.709 120.500 0.108 0.000 2.081 33 R HA -0.081 4.253 4.340 -0.009 0.000 0.235 33 R C 1.719 178.094 176.300 0.124 0.000 1.131 33 R CA 1.412 57.603 56.100 0.151 0.000 0.960 33 R CB -0.172 30.158 30.300 0.050 0.000 0.856 33 R HN 0.387 nan 8.270 nan 0.000 0.436 34 H N -0.439 118.665 119.070 0.056 0.000 2.395 34 H HA -0.102 4.448 4.556 -0.009 0.000 0.299 34 H C 1.882 177.126 175.328 -0.140 0.000 1.070 34 H CA 1.296 57.308 56.048 -0.060 0.000 1.356 34 H CB 0.111 29.795 29.762 -0.129 0.000 1.401 34 H HN 0.106 nan 8.280 nan 0.000 0.524 35 L N 0.107 121.289 121.223 -0.067 0.000 2.042 35 L HA -0.220 4.114 4.340 -0.009 0.000 0.210 35 L C 2.200 179.032 176.870 -0.063 0.000 1.076 35 L CA 1.922 56.698 54.840 -0.106 0.000 0.749 35 L CB -0.479 41.532 42.059 -0.079 0.000 0.893 35 L HN 0.318 nan 8.230 nan 0.000 0.432 36 H N -1.751 117.227 119.070 -0.153 0.000 2.266 36 H HA -0.078 4.473 4.556 -0.009 0.000 0.308 36 H C 1.841 176.978 175.328 -0.318 0.000 1.057 36 H CA 2.298 58.165 56.048 -0.302 0.000 1.330 36 H CB -0.343 29.131 29.762 -0.480 0.000 1.400 36 H HN 0.272 nan 8.280 nan 0.000 0.503 37 F N -0.375 119.554 119.950 -0.035 0.000 2.293 37 F HA -0.032 4.489 4.527 -0.009 0.000 0.297 37 F C 2.563 178.290 175.800 -0.123 0.000 1.089 37 F CA 1.396 59.337 58.000 -0.098 0.000 1.377 37 F CB -0.329 38.655 39.000 -0.026 0.000 1.051 37 F HN 0.205 nan 8.300 nan 0.000 0.511 38 T N -0.347 114.237 114.554 0.050 0.000 2.953 38 T HA 0.097 4.441 4.350 -0.009 0.000 0.247 38 T C 1.915 176.508 174.700 -0.178 0.000 1.029 38 T CA 0.760 62.813 62.100 -0.078 0.000 1.144 38 T CB -0.247 68.529 68.868 -0.154 0.000 0.870 38 T HN 0.103 nan 8.240 nan 0.000 0.446 39 L N 1.197 122.310 121.223 -0.183 0.000 2.529 39 L HA 0.212 4.547 4.340 -0.009 0.000 0.223 39 L C 0.314 177.079 176.870 -0.176 0.000 1.113 39 L CA -0.086 54.635 54.840 -0.198 0.000 0.861 39 L CB 0.066 42.012 42.059 -0.188 0.000 1.012 39 L HN -0.024 nan 8.230 nan 0.000 0.461 40 V N 0.379 120.175 119.914 -0.197 0.000 5.820 40 V HA -0.278 3.837 4.120 -0.009 0.000 0.300 40 V C -0.095 175.885 176.094 -0.190 0.000 0.585 40 V CA 1.086 63.247 62.300 -0.233 0.000 0.629 40 V CB -2.221 29.492 31.823 -0.184 0.000 0.291 40 V HN 0.402 nan 8.190 nan 0.000 0.887 41 K N 0.869 121.166 120.400 -0.173 0.000 2.482 41 K HA 0.717 5.031 4.320 -0.009 0.000 0.257 41 K C -0.438 176.129 176.600 -0.055 0.000 0.969 41 K CA -0.469 55.751 56.287 -0.113 0.000 0.842 41 K CB 2.834 35.263 32.500 -0.120 0.000 1.359 41 K HN 0.493 nan 8.250 nan 0.000 0.441 42 D N -0.682 119.707 120.400 -0.018 0.000 2.525 42 D HA 0.322 4.957 4.640 -0.009 0.000 0.249 42 D C 0.704 177.038 176.300 0.057 0.000 1.072 42 D CA -0.658 53.365 54.000 0.038 0.000 1.067 42 D CB 0.805 41.630 40.800 0.043 0.000 1.282 42 D HN 0.094 nan 8.370 nan 0.000 0.587 43 R N -0.104 120.461 120.500 0.109 0.000 2.241 43 R HA -0.003 4.331 4.340 -0.009 0.000 0.224 43 R C 0.826 177.200 176.300 0.124 0.000 1.101 43 R CA 0.555 56.758 56.100 0.173 0.000 0.995 43 R CB -0.704 29.699 30.300 0.171 0.000 0.870 43 R HN 0.523 nan 8.270 nan 0.000 0.463 44 N N 0.246 118.985 118.700 0.066 0.000 2.416 44 N HA -0.068 4.666 4.740 -0.009 0.000 0.177 44 N C 1.611 177.137 175.510 0.027 0.000 1.036 44 N CA 1.206 54.284 53.050 0.047 0.000 0.901 44 N CB 0.396 38.901 38.487 0.030 0.000 0.976 44 N HN 0.212 nan 8.380 nan 0.000 0.444 45 V N -2.793 117.124 119.914 0.005 0.000 3.604 45 V HA 0.502 4.616 4.120 -0.009 0.000 0.277 45 V C 0.864 176.920 176.094 -0.063 0.000 1.399 45 V CA -0.488 61.799 62.300 -0.021 0.000 1.034 45 V CB -0.334 31.473 31.823 -0.028 0.000 0.824 45 V HN 0.032 nan 8.190 nan 0.000 0.439 46 A N 2.638 125.397 122.820 -0.103 0.000 2.520 46 A HA 0.506 4.820 4.320 -0.009 0.000 0.245 46 A C 0.825 178.220 177.584 -0.314 0.000 1.072 46 A CA 0.861 52.726 52.037 -0.287 0.000 0.761 46 A CB -0.357 18.338 19.000 -0.507 0.000 1.004 46 A HN 0.839 nan 8.150 nan 0.000 0.499 47 T N 0.837 115.227 114.554 -0.273 0.000 2.902 47 T HA 0.486 4.831 4.350 -0.009 0.000 0.280 47 T C -1.937 172.654 174.700 -0.182 0.000 0.992 47 T CA -1.608 60.403 62.100 -0.149 0.000 1.015 47 T CB 0.991 69.821 68.868 -0.062 0.000 1.044 47 T HN 0.297 nan 8.240 nan 0.000 0.520 48 P HA -0.085 nan 4.420 nan 0.000 0.216 48 P C 1.610 178.998 177.300 0.146 0.000 1.150 48 P CA 0.915 64.115 63.100 0.166 0.000 0.843 48 P CB 0.042 31.826 31.700 0.140 0.000 0.787 49 R N -0.000 120.541 120.500 0.069 0.000 2.081 49 R HA -0.142 4.192 4.340 -0.009 0.000 0.235 49 R C 1.708 178.157 176.300 0.248 0.000 1.131 49 R CA 1.725 57.897 56.100 0.119 0.000 0.960 49 R CB -0.726 29.588 30.300 0.024 0.000 0.856 49 R HN 0.066 nan 8.270 nan 0.000 0.436 50 D N -0.231 120.218 120.400 0.082 0.000 2.116 50 D HA -0.212 4.422 4.640 -0.009 0.000 0.193 50 D C 1.740 178.063 176.300 0.037 0.000 0.998 50 D CA 1.446 55.447 54.000 0.003 0.000 0.836 50 D CB -0.357 40.299 40.800 -0.240 0.000 0.951 50 D HN 0.308 nan 8.370 nan 0.000 0.449 51 Y N -0.084 120.312 120.300 0.161 0.000 2.181 51 Y HA -0.197 4.347 4.550 -0.009 0.000 0.288 51 Y C 2.322 178.361 175.900 0.231 0.000 1.146 51 Y CA 0.359 58.598 58.100 0.232 0.000 1.164 51 Y CB -1.200 37.446 38.460 0.310 0.000 0.982 51 Y HN 0.104 nan 8.280 nan 0.000 0.515 52 Y N -0.465 119.974 120.300 0.232 0.000 2.128 52 Y HA -0.298 4.246 4.550 -0.009 0.000 0.284 52 Y C 2.033 177.932 175.900 -0.001 0.000 1.154 52 Y CA 1.393 59.535 58.100 0.069 0.000 1.149 52 Y CB -1.153 37.240 38.460 -0.111 0.000 0.976 52 Y HN 0.051 nan 8.280 nan 0.000 0.505 53 F N 0.201 119.968 119.950 -0.304 0.000 2.171 53 F HA -0.171 4.351 4.527 -0.009 0.000 0.300 53 F C 2.643 178.276 175.800 -0.277 0.000 1.090 53 F CA 1.234 58.999 58.000 -0.392 0.000 1.293 53 F CB -0.738 38.175 39.000 -0.145 0.000 1.013 53 F HN 0.218 nan 8.300 nan 0.000 0.486 54 A N -0.213 122.548 122.820 -0.098 0.000 1.902 54 A HA -0.186 4.128 4.320 -0.009 0.000 0.217 54 A C 2.035 179.512 177.584 -0.178 0.000 1.181 54 A CA 1.559 53.407 52.037 -0.314 0.000 0.623 54 A CB -0.961 17.533 19.000 -0.843 0.000 0.818 54 A HN 0.350 nan 8.150 nan 0.000 0.443 55 L N -0.338 120.906 121.223 0.035 0.000 2.056 55 L HA 0.024 4.358 4.340 -0.009 0.000 0.207 55 L C 2.647 179.539 176.870 0.036 0.000 1.078 55 L CA 2.070 57.056 54.840 0.244 0.000 0.749 55 L CB -0.904 41.360 42.059 0.343 0.000 0.901 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.257 121.423 122.820 -0.233 0.000 1.902 56 A HA -0.271 4.044 4.320 -0.009 0.000 0.217 56 A C 2.140 179.444 177.584 -0.467 0.000 1.181 56 A CA 1.940 53.733 52.037 -0.407 0.000 0.623 56 A CB -1.035 17.437 19.000 -0.880 0.000 0.818 56 A HN 0.645 nan 8.150 nan 0.000 0.443 57 H N -0.687 118.098 119.070 -0.475 0.000 2.387 57 H HA -0.059 4.492 4.556 -0.009 0.000 0.299 57 H C 2.349 177.452 175.328 -0.375 0.000 1.090 57 H CA 2.029 57.718 56.048 -0.598 0.000 1.332 57 H CB -0.327 28.797 29.762 -1.063 0.000 1.386 57 H HN 0.448 nan 8.280 nan 0.000 0.516 58 T N -0.338 114.212 114.554 -0.006 0.000 2.746 58 T HA -0.137 4.207 4.350 -0.009 0.000 0.267 58 T C 2.258 177.127 174.700 0.282 0.000 1.039 58 T CA 1.401 63.656 62.100 0.258 0.000 1.142 58 T CB -0.399 68.679 68.868 0.351 0.000 0.866 58 T HN 0.091 nan 8.240 nan 0.000 0.444 59 V N 2.390 122.440 119.914 0.226 0.000 2.323 59 V HA -0.159 3.955 4.120 -0.009 0.000 0.244 59 V C 2.652 178.920 176.094 0.289 0.000 1.041 59 V CA 1.950 64.422 62.300 0.286 0.000 1.025 59 V CB -0.679 31.313 31.823 0.281 0.000 0.656 59 V HN 0.517 nan 8.190 nan 0.000 0.451 60 R N 0.449 121.051 120.500 0.171 0.000 2.120 60 R HA -0.202 4.133 4.340 -0.009 0.000 0.234 60 R C 1.682 178.060 176.300 0.129 0.000 1.123 60 R CA 2.057 58.250 56.100 0.154 0.000 0.975 60 R CB -0.727 29.504 30.300 -0.116 0.000 0.866 60 R HN 0.373 nan 8.270 nan 0.000 0.446 61 D N 0.719 121.182 120.400 0.105 0.000 2.190 61 D HA -0.169 4.466 4.640 -0.009 0.000 0.200 61 D C 1.658 177.958 176.300 -0.000 0.000 0.992 61 D CA 1.160 55.196 54.000 0.060 0.000 0.854 61 D CB -0.370 40.461 40.800 0.051 0.000 0.936 61 D HN 0.479 nan 8.370 nan 0.000 0.462 62 H N -0.339 118.789 119.070 0.096 0.000 2.524 62 H HA 0.049 4.600 4.556 -0.009 0.000 0.282 62 H C 2.122 177.486 175.328 0.060 0.000 1.016 62 H CA 0.377 56.467 56.048 0.071 0.000 1.270 62 H CB 0.306 30.103 29.762 0.059 0.000 1.394 62 H HN 0.214 nan 8.280 nan 0.000 0.568 63 L N -0.258 121.067 121.223 0.170 0.000 2.270 63 L HA -0.075 4.260 4.340 -0.009 0.000 0.210 63 L C 2.467 179.443 176.870 0.175 0.000 1.104 63 L CA 0.097 55.006 54.840 0.114 0.000 0.804 63 L CB -0.007 42.081 42.059 0.049 0.000 0.937 63 L HN 0.021 nan 8.230 nan 0.000 0.450 64 V N 0.350 120.378 119.914 0.189 0.000 2.255 64 V HA -0.243 3.872 4.120 -0.009 0.000 0.247 64 V C 2.632 178.828 176.094 0.170 0.000 1.051 64 V CA 2.215 64.649 62.300 0.223 0.000 1.018 64 V CB -1.290 30.616 31.823 0.138 0.000 0.641 64 V HN 0.557 nan 8.190 nan 0.000 0.445 65 G N -0.362 108.497 108.800 0.098 0.000 2.421 65 G HA2 -0.251 3.703 3.960 -0.009 0.000 0.216 65 G HA3 -0.251 3.703 3.960 -0.009 0.000 0.216 65 G C 1.743 176.687 174.900 0.074 0.000 1.171 65 G CA 0.841 45.979 45.100 0.063 0.000 0.775 65 G HN 0.450 nan 8.290 nan 0.000 0.543 66 R N -1.424 119.127 120.500 0.085 0.000 2.096 66 R HA -0.079 4.255 4.340 -0.009 0.000 0.235 66 R C 2.271 178.648 176.300 0.130 0.000 1.127 66 R CA 1.162 57.301 56.100 0.064 0.000 0.968 66 R CB -0.341 29.979 30.300 0.033 0.000 0.861 66 R HN 0.472 nan 8.270 nan 0.000 0.440 67 W N 1.520 122.798 121.300 -0.038 0.000 2.355 67 W HA -0.062 4.593 4.660 -0.009 0.000 0.309 67 W C 1.750 178.239 176.519 -0.050 0.000 1.206 67 W CA 0.891 58.210 57.345 -0.043 0.000 1.284 67 W CB -0.617 28.834 29.460 -0.015 0.000 1.145 67 W HN -0.036 nan 8.180 nan 0.000 0.502 68 I N 1.058 121.694 120.570 0.111 0.000 2.226 68 I HA -0.351 3.813 4.170 -0.009 0.000 0.245 68 I C 2.666 178.774 176.117 -0.016 0.000 1.100 68 I CA 1.952 63.234 61.300 -0.030 0.000 1.374 68 I CB -0.561 37.419 38.000 -0.034 0.000 1.057 68 I HN -0.021 nan 8.210 nan 0.000 0.413 69 R N 0.147 120.651 120.500 0.006 0.000 2.119 69 R HA -0.029 4.305 4.340 -0.009 0.000 0.222 69 R C 1.986 178.253 176.300 -0.055 0.000 1.088 69 R CA 1.468 57.560 56.100 -0.014 0.000 0.984 69 R CB -1.291 29.002 30.300 -0.013 0.000 0.884 69 R HN 0.192 nan 8.270 nan 0.000 0.447 70 T N 1.879 116.379 114.554 -0.090 0.000 2.652 70 T HA -0.128 4.216 4.350 -0.009 0.000 0.267 70 T C 1.867 176.318 174.700 -0.415 0.000 1.039 70 T CA 1.495 63.431 62.100 -0.275 0.000 1.153 70 T CB -0.139 68.605 68.868 -0.207 0.000 0.863 70 T HN 0.241 nan 8.240 nan 0.000 0.428 71 Q N 0.713 120.415 119.800 -0.163 0.000 2.124 71 Q HA -0.082 4.252 4.340 -0.009 0.000 0.202 71 Q C 2.339 178.359 176.000 0.034 0.000 0.977 71 Q CA 1.288 57.065 55.803 -0.043 0.000 0.850 71 Q CB -0.483 28.260 28.738 0.009 0.000 0.901 71 Q HN 0.509 nan 8.270 nan 0.000 0.429 72 Q N -0.027 119.781 119.800 0.014 0.000 2.079 72 Q HA -0.176 4.159 4.340 -0.009 0.000 0.200 72 Q C 1.910 177.997 176.000 0.146 0.000 0.974 72 Q CA 1.760 57.612 55.803 0.081 0.000 0.840 72 Q CB -0.281 28.481 28.738 0.040 0.000 0.898 72 Q HN 0.553 nan 8.270 nan 0.000 0.430 73 H N -1.073 117.974 119.070 -0.038 0.000 2.319 73 H HA -0.190 4.361 4.556 -0.009 0.000 0.299 73 H C 1.190 176.579 175.328 0.102 0.000 1.092 73 H CA 2.343 58.377 56.048 -0.023 0.000 1.302 73 H CB -0.276 29.406 29.762 -0.132 0.000 1.373 73 H HN 0.353 nan 8.280 nan 0.000 0.497 74 Y N -0.935 119.433 120.300 0.113 0.000 2.207 74 Y HA -0.224 4.320 4.550 -0.010 0.000 0.287 74 Y C 2.497 178.434 175.900 0.062 0.000 1.156 74 Y CA 1.140 59.274 58.100 0.057 0.000 1.182 74 Y CB -1.434 37.110 38.460 0.139 0.000 0.979 74 Y HN 0.373 nan 8.280 nan 0.000 0.521 75 Y N 1.055 121.444 120.300 0.148 0.000 2.181 75 Y HA -0.216 4.328 4.550 -0.009 0.000 0.288 75 Y C 2.075 177.986 175.900 0.019 0.000 1.146 75 Y CA 1.971 60.117 58.100 0.077 0.000 1.164 75 Y CB -0.234 38.263 38.460 0.062 0.000 0.982 75 Y HN 0.198 nan 8.280 nan 0.000 0.515 76 E N -0.319 119.889 120.200 0.014 0.000 2.072 76 E HA -0.133 4.212 4.350 -0.009 0.000 0.190 76 E C 1.965 178.474 176.600 -0.151 0.000 0.982 76 E CA 1.046 57.391 56.400 -0.092 0.000 0.803 76 E CB -0.035 29.666 29.700 0.000 0.000 0.755 76 E HN 0.388 nan 8.360 nan 0.000 0.453 77 K N 0.561 120.855 120.400 -0.177 0.000 2.361 77 K HA -0.052 4.262 4.320 -0.009 0.000 0.196 77 K C -0.095 176.441 176.600 -0.107 0.000 1.039 77 K CA 0.335 56.520 56.287 -0.170 0.000 1.001 77 K CB 0.238 32.567 32.500 -0.284 0.000 0.795 77 K HN -0.025 nan 8.250 nan 0.000 0.495 78 D N 1.372 121.718 120.400 -0.091 0.000 2.704 78 D HA -0.106 4.529 4.640 -0.009 0.000 0.232 78 D C -2.413 173.858 176.300 -0.047 0.000 1.183 78 D CA 0.122 54.080 54.000 -0.071 0.000 0.647 78 D CB -0.109 40.621 40.800 -0.116 0.000 1.013 78 D HN 0.179 nan 8.370 nan 0.000 0.415 79 P HA 0.077 nan 4.420 nan 0.000 0.274 79 P C -0.100 177.160 177.300 -0.067 0.000 1.256 79 P CA -0.512 62.557 63.100 -0.052 0.000 0.795 79 P CB 0.594 32.253 31.700 -0.067 0.000 1.038 80 K N 1.210 121.573 120.400 -0.062 0.000 2.451 80 K HA 0.030 4.344 4.320 -0.009 0.000 0.280 80 K C -0.048 176.463 176.600 -0.147 0.000 1.020 80 K CA 0.053 56.294 56.287 -0.076 0.000 1.008 80 K CB 0.166 32.638 32.500 -0.047 0.000 0.917 80 K HN 0.248 nan 8.250 nan 0.000 0.478 81 R N 3.652 124.048 120.500 -0.173 0.000 2.349 81 R HA 0.340 4.674 4.340 -0.009 0.000 0.299 81 R C -0.487 175.526 176.300 -0.479 0.000 1.027 81 R CA -0.447 55.461 56.100 -0.319 0.000 0.958 81 R CB 0.816 30.926 30.300 -0.318 0.000 1.047 81 R HN 0.499 nan 8.270 nan 0.000 0.468 82 I N 4.275 124.501 120.570 -0.573 0.000 2.354 82 I HA 0.225 4.389 4.170 -0.009 0.000 0.292 82 I C -0.670 175.107 176.117 -0.567 0.000 0.989 82 I CA -0.750 60.166 61.300 -0.640 0.000 1.188 82 I CB 0.921 38.424 38.000 -0.829 0.000 1.342 82 I HN 0.530 nan 8.210 nan 0.000 0.457 83 Y N 5.778 126.036 120.300 -0.070 0.000 2.356 83 Y HA 0.299 4.844 4.550 -0.009 0.000 0.334 83 Y C -0.322 175.678 175.900 0.167 0.000 0.958 83 Y CA -0.731 57.450 58.100 0.135 0.000 1.196 83 Y CB 1.219 39.714 38.460 0.059 0.000 1.137 83 Y HN 0.403 nan 8.280 nan 0.000 0.485 84 Y N 4.559 125.040 120.300 0.302 0.000 2.518 84 Y HA 0.486 5.031 4.550 -0.009 0.000 0.344 84 Y C -1.253 174.914 175.900 0.445 0.000 0.982 84 Y CA -0.926 57.362 58.100 0.312 0.000 1.234 84 Y CB 0.312 38.955 38.460 0.305 0.000 1.114 84 Y HN 0.525 nan 8.280 nan 0.000 0.515 85 L N 5.038 126.324 121.223 0.105 0.000 2.265 85 L HA 0.477 4.812 4.340 -0.009 0.000 0.288 85 L C -0.209 176.699 176.870 0.064 0.000 1.058 85 L CA 0.161 55.118 54.840 0.195 0.000 0.809 85 L CB 1.302 43.434 42.059 0.123 0.000 1.179 85 L HN 0.571 nan 8.230 nan 0.000 0.429 86 S N 2.419 118.248 115.700 0.215 0.000 2.541 86 S HA 0.505 4.969 4.470 -0.009 0.000 0.271 86 S C 0.306 175.021 174.600 0.192 0.000 1.133 86 S CA -0.520 57.703 58.200 0.038 0.000 0.876 86 S CB 1.062 64.046 63.200 -0.360 0.000 1.105 86 S HN 0.473 nan 8.310 nan 0.000 0.470 87 L N 2.685 124.045 121.223 0.230 0.000 2.554 87 L HA 0.422 4.757 4.340 -0.009 0.000 0.226 87 L C 0.360 177.436 176.870 0.343 0.000 1.137 87 L CA 1.009 56.049 54.840 0.332 0.000 0.863 87 L CB -0.062 42.203 42.059 0.344 0.000 0.985 87 L HN 0.639 nan 8.230 nan 0.000 0.451 88 E N -1.227 119.046 120.200 0.121 0.000 2.275 88 E HA 0.406 4.750 4.350 -0.009 0.000 0.270 88 E C -1.392 175.087 176.600 -0.201 0.000 0.882 88 E CA -0.429 56.017 56.400 0.077 0.000 0.758 88 E CB 1.816 31.532 29.700 0.027 0.000 1.195 88 E HN -0.162 nan 8.360 nan 0.000 0.419 89 F N 2.265 122.324 119.950 0.181 0.000 2.716 89 F HA 0.183 4.705 4.527 -0.010 0.000 0.354 89 F C -0.870 175.017 175.800 0.144 0.000 1.168 89 F CA -0.770 57.324 58.000 0.156 0.000 1.045 89 F CB 0.976 40.060 39.000 0.140 0.000 1.311 89 F HN 0.480 nan 8.300 nan 0.000 0.477 90 Y N 5.296 125.666 120.300 0.118 0.000 2.714 90 Y HA 0.244 4.789 4.550 -0.009 0.000 0.333 90 Y C 0.835 176.750 175.900 0.024 0.000 1.220 90 Y CA -1.084 57.036 58.100 0.033 0.000 1.513 90 Y CB 0.407 38.870 38.460 0.005 0.000 1.435 90 Y HN 0.551 nan 8.280 nan 0.000 0.489 91 M N 1.548 121.260 119.600 0.187 0.000 2.334 91 M HA 0.137 4.611 4.480 -0.009 0.000 0.266 91 M C 1.566 177.830 176.300 -0.061 0.000 1.082 91 M CA 1.043 56.368 55.300 0.041 0.000 1.141 91 M CB -1.159 31.446 32.600 0.007 0.000 1.380 91 M HN 0.699 nan 8.290 nan 0.000 0.440 92 G N 1.284 110.055 108.800 -0.049 0.000 2.539 92 G HA2 -0.277 3.678 3.960 -0.009 0.000 0.256 92 G HA3 -0.277 3.678 3.960 -0.009 0.000 0.256 92 G C -0.202 174.640 174.900 -0.097 0.000 1.233 92 G CA -0.263 44.773 45.100 -0.106 0.000 0.936 92 G HN 0.433 nan 8.290 nan 0.000 0.571 93 R N -0.696 119.729 120.500 -0.125 0.000 2.531 93 R HA 0.571 4.906 4.340 -0.009 0.000 0.273 93 R C 1.108 177.274 176.300 -0.222 0.000 1.070 93 R CA 0.318 56.351 56.100 -0.112 0.000 1.112 93 R CB 0.726 30.971 30.300 -0.092 0.000 1.049 93 R HN 0.524 nan 8.270 nan 0.000 0.508 94 T N 1.114 115.471 114.554 -0.328 0.000 2.978 94 T HA -0.008 4.337 4.350 -0.009 0.000 0.248 94 T C 1.430 175.709 174.700 -0.702 0.000 1.018 94 T CA -0.142 61.544 62.100 -0.690 0.000 1.026 94 T CB 0.129 68.219 68.868 -1.296 0.000 1.032 94 T HN 0.300 nan 8.240 nan 0.000 0.485 95 L N 2.028 123.060 121.223 -0.318 0.000 1.970 95 L HA -0.058 4.277 4.340 -0.009 0.000 0.212 95 L C 2.462 179.287 176.870 -0.075 0.000 1.071 95 L CA 2.031 56.859 54.840 -0.019 0.000 0.751 95 L CB -0.727 41.545 42.059 0.355 0.000 0.889 95 L HN 0.196 nan 8.230 nan 0.000 0.432 96 Q N -0.841 118.915 119.800 -0.074 0.000 2.084 96 Q HA -0.246 4.089 4.340 -0.009 0.000 0.202 96 Q C 2.232 178.154 176.000 -0.129 0.000 0.978 96 Q CA 1.817 57.573 55.803 -0.079 0.000 0.844 96 Q CB -0.309 28.380 28.738 -0.081 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -0.990 117.592 118.700 -0.197 0.000 2.104 97 N HA -0.155 4.579 4.740 -0.009 0.000 0.190 97 N C 1.377 176.775 175.510 -0.188 0.000 1.024 97 N CA 1.837 54.762 53.050 -0.208 0.000 0.853 97 N CB 0.039 38.367 38.487 -0.264 0.000 1.008 97 N HN 0.231 nan 8.380 nan 0.000 0.424 98 T N 1.351 115.759 114.554 -0.243 0.000 2.746 98 T HA -0.075 4.270 4.350 -0.009 0.000 0.267 98 T C 2.066 176.703 174.700 -0.106 0.000 1.039 98 T CA 1.133 63.114 62.100 -0.199 0.000 1.142 98 T CB -0.090 68.624 68.868 -0.256 0.000 0.866 98 T HN 0.274 nan 8.240 nan 0.000 0.444 99 M N 0.575 120.129 119.600 -0.077 0.000 2.117 99 M HA -0.094 4.380 4.480 -0.009 0.000 0.262 99 M C 2.481 178.745 176.300 -0.061 0.000 1.065 99 M CA 1.261 56.529 55.300 -0.054 0.000 1.114 99 M CB -0.679 31.905 32.600 -0.026 0.000 1.361 99 M HN 0.105 nan 8.290 nan 0.000 0.408 100 V N 1.006 120.889 119.914 -0.052 0.000 2.255 100 V HA -0.280 3.834 4.120 -0.009 0.000 0.247 100 V C 1.790 177.888 176.094 0.006 0.000 1.051 100 V CA 2.012 64.308 62.300 -0.007 0.000 1.018 100 V CB -0.886 30.936 31.823 -0.002 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.354 118.335 118.700 -0.019 0.000 2.396 101 N HA -0.039 4.696 4.740 -0.009 0.000 0.180 101 N C 1.089 176.494 175.510 -0.174 0.000 1.028 101 N CA 0.705 53.722 53.050 -0.054 0.000 0.893 101 N CB -0.124 38.344 38.487 -0.031 0.000 0.967 101 N HN 0.287 nan 8.380 nan 0.000 0.440 102 L N -0.159 120.981 121.223 -0.138 0.000 2.640 102 L HA 0.398 4.732 4.340 -0.009 0.000 0.230 102 L C 0.572 177.351 176.870 -0.153 0.000 1.123 102 L CA -0.248 54.508 54.840 -0.139 0.000 0.900 102 L CB -0.787 41.212 42.059 -0.100 0.000 1.146 102 L HN 0.103 nan 8.230 nan 0.000 0.484 103 A N -0.420 122.307 122.820 -0.155 0.000 2.791 103 A HA -0.227 4.088 4.320 -0.009 0.000 0.292 103 A C 1.154 178.675 177.584 -0.104 0.000 1.487 103 A CA 1.156 53.115 52.037 -0.129 0.000 0.760 103 A CB -2.026 16.885 19.000 -0.149 0.000 1.031 103 A HN 0.331 nan 8.150 nan 0.000 0.503 104 L N -1.571 119.591 121.223 -0.101 0.000 2.693 104 L HA 0.153 4.488 4.340 -0.009 0.000 0.235 104 L C 1.939 178.771 176.870 -0.064 0.000 1.127 104 L CA 0.726 55.502 54.840 -0.106 0.000 0.914 104 L CB 0.094 42.060 42.059 -0.155 0.000 1.193 104 L HN 0.661 nan 8.230 nan 0.000 0.502 105 E N 0.779 120.950 120.200 -0.048 0.000 2.058 105 E HA -0.232 4.113 4.350 -0.009 0.000 0.194 105 E C 1.703 178.288 176.600 -0.024 0.000 0.997 105 E CA 1.420 57.803 56.400 -0.028 0.000 0.801 105 E CB 0.266 29.952 29.700 -0.024 0.000 0.746 105 E HN 0.394 nan 8.360 nan 0.000 0.450 106 N N 0.079 118.762 118.700 -0.029 0.000 2.142 106 N HA -0.114 4.621 4.740 -0.009 0.000 0.186 106 N C 1.593 177.087 175.510 -0.026 0.000 1.023 106 N CA 1.217 54.250 53.050 -0.029 0.000 0.852 106 N CB -0.397 38.073 38.487 -0.029 0.000 0.998 106 N HN 0.222 nan 8.380 nan 0.000 0.424 107 A N 0.543 123.346 122.820 -0.029 0.000 1.883 107 A HA -0.168 4.146 4.320 -0.009 0.000 0.217 107 A C 2.679 180.256 177.584 -0.012 0.000 1.186 107 A CA 1.487 53.510 52.037 -0.023 0.000 0.624 107 A CB -1.069 17.910 19.000 -0.036 0.000 0.822 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.904 118.389 119.300 -0.013 0.000 2.440 108 C HA -0.069 4.385 4.460 -0.009 0.000 0.278 108 C C 2.480 177.469 174.990 -0.001 0.000 1.295 108 C CA 1.088 60.109 59.018 0.005 0.000 1.738 108 C CB -1.153 26.601 27.740 0.024 0.000 1.987 108 C HN 0.699 nan 8.230 nan 0.000 0.492 109 D N 0.728 121.127 120.400 -0.002 0.000 2.097 109 D HA -0.149 4.486 4.640 -0.009 0.000 0.195 109 D C 2.119 178.429 176.300 0.018 0.000 0.989 109 D CA 1.566 55.566 54.000 0.001 0.000 0.827 109 D CB -0.284 40.506 40.800 -0.017 0.000 0.966 109 D HN 0.457 nan 8.370 nan 0.000 0.456 110 E N 0.252 120.457 120.200 0.008 0.000 2.051 110 E HA -0.086 4.258 4.350 -0.009 0.000 0.192 110 E C 1.886 178.521 176.600 0.057 0.000 0.991 110 E CA 1.677 58.101 56.400 0.040 0.000 0.799 110 E CB -0.609 29.099 29.700 0.014 0.000 0.748 110 E HN 0.226 nan 8.360 nan 0.000 0.449 111 A N -0.167 122.656 122.820 0.004 0.000 1.883 111 A HA -0.216 4.099 4.320 -0.009 0.000 0.217 111 A C 2.499 180.010 177.584 -0.123 0.000 1.186 111 A CA 2.898 54.911 52.037 -0.040 0.000 0.624 111 A CB -1.445 17.535 19.000 -0.033 0.000 0.822 111 A HN 0.524 nan 8.150 nan 0.000 0.444 112 T N -3.742 110.730 114.554 -0.137 0.000 2.857 112 T HA -0.200 4.144 4.350 -0.009 0.000 0.266 112 T C 1.855 176.472 174.700 -0.139 0.000 1.048 112 T CA 1.478 63.437 62.100 -0.236 0.000 1.139 112 T CB -0.612 68.148 68.868 -0.180 0.000 0.874 112 T HN 0.458 nan 8.240 nan 0.000 0.455 113 Y N 2.230 122.449 120.300 -0.135 0.000 2.128 113 Y HA -0.138 4.407 4.550 -0.008 0.000 0.284 113 Y C 2.638 178.478 175.900 -0.100 0.000 1.154 113 Y CA 1.697 59.737 58.100 -0.099 0.000 1.149 113 Y CB -0.542 37.879 38.460 -0.065 0.000 0.976 113 Y HN 0.248 nan 8.280 nan 0.000 0.505 114 Q N -0.937 118.793 119.800 -0.117 0.000 2.291 114 Q HA -0.126 4.209 4.340 -0.009 0.000 0.205 114 Q C 1.446 177.318 176.000 -0.212 0.000 0.970 114 Q CA 0.842 56.538 55.803 -0.178 0.000 0.876 114 Q CB -0.055 28.653 28.738 -0.049 0.000 0.935 114 Q HN 0.359 nan 8.270 nan 0.000 0.455 115 L N -1.039 120.043 121.223 -0.236 0.000 2.591 115 L HA 0.159 4.493 4.340 -0.009 0.000 0.228 115 L C 1.092 177.804 176.870 -0.264 0.000 1.133 115 L CA 1.135 55.825 54.840 -0.251 0.000 0.880 115 L CB -0.287 41.551 42.059 -0.370 0.000 1.033 115 L HN 0.296 nan 8.230 nan 0.000 0.450 116 G N -0.046 108.578 108.800 -0.294 0.000 2.171 116 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.238 116 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.238 116 G C 0.019 174.784 174.900 -0.225 0.000 1.039 116 G CA 0.225 45.165 45.100 -0.267 0.000 0.759 116 G HN 0.272 nan 8.290 nan 0.000 0.501 117 L N -0.291 120.798 121.223 -0.224 0.000 2.370 117 L HA 0.598 4.932 4.340 -0.009 0.000 0.266 117 L C -0.691 176.142 176.870 -0.061 0.000 1.002 117 L CA -1.184 53.551 54.840 -0.176 0.000 0.818 117 L CB 1.972 43.858 42.059 -0.287 0.000 1.325 117 L HN 0.091 nan 8.230 nan 0.000 0.418 118 D N 2.105 122.500 120.400 -0.008 0.000 2.359 118 D HA 0.188 4.822 4.640 -0.009 0.000 0.230 118 D C 0.583 176.910 176.300 0.044 0.000 1.118 118 D CA -0.239 53.784 54.000 0.039 0.000 0.844 118 D CB 1.619 42.448 40.800 0.049 0.000 1.059 118 D HN 0.504 nan 8.370 nan 0.000 0.493 119 M N 3.175 122.802 119.600 0.045 0.000 2.159 119 M HA -0.130 4.344 4.480 -0.009 0.000 0.263 119 M C 1.357 177.697 176.300 0.068 0.000 1.063 119 M CA 1.479 56.814 55.300 0.058 0.000 1.110 119 M CB 0.213 32.841 32.600 0.046 0.000 1.374 119 M HN 0.426 nan 8.290 nan 0.000 0.411 120 E N -0.204 120.027 120.200 0.051 0.000 2.153 120 E HA -0.257 4.088 4.350 -0.009 0.000 0.194 120 E C 1.841 178.472 176.600 0.053 0.000 0.988 120 E CA 1.353 57.781 56.400 0.045 0.000 0.811 120 E CB -0.148 29.575 29.700 0.038 0.000 0.746 120 E HN 0.628 nan 8.360 nan 0.000 0.466 121 E N 0.445 120.681 120.200 0.061 0.000 2.072 121 E HA -0.197 4.148 4.350 -0.009 0.000 0.191 121 E C 1.949 178.594 176.600 0.074 0.000 0.985 121 E CA 0.593 57.032 56.400 0.064 0.000 0.801 121 E CB 0.169 29.908 29.700 0.066 0.000 0.750 121 E HN 0.081 nan 8.360 nan 0.000 0.452 122 L N 1.539 122.827 121.223 0.108 0.000 2.046 122 L HA -0.158 4.176 4.340 -0.009 0.000 0.208 122 L C 2.102 179.047 176.870 0.124 0.000 1.077 122 L CA 1.675 56.614 54.840 0.166 0.000 0.747 122 L CB -0.803 41.398 42.059 0.236 0.000 0.896 122 L HN 0.157 nan 8.230 nan 0.000 0.432 123 E N -0.710 119.549 120.200 0.098 0.000 2.118 123 E HA -0.208 4.137 4.350 -0.009 0.000 0.195 123 E C 1.843 178.416 176.600 -0.046 0.000 0.992 123 E CA 0.901 57.331 56.400 0.051 0.000 0.804 123 E CB -0.008 29.718 29.700 0.044 0.000 0.741 123 E HN 0.415 nan 8.360 nan 0.000 0.458 124 E N 0.256 120.440 120.200 -0.027 0.000 2.409 124 E HA -0.116 4.229 4.350 -0.009 0.000 0.198 124 E C 1.871 178.411 176.600 -0.100 0.000 1.024 124 E CA 0.539 56.918 56.400 -0.034 0.000 0.861 124 E CB 0.021 29.736 29.700 0.025 0.000 0.788 124 E HN 0.416 nan 8.360 nan 0.000 0.521 125 I N 0.810 121.263 120.570 -0.195 0.000 2.500 125 I HA -0.117 4.048 4.170 -0.009 0.000 0.252 125 I C 1.421 177.229 176.117 -0.516 0.000 1.142 125 I CA 0.284 61.391 61.300 -0.320 0.000 1.451 125 I CB 0.063 37.876 38.000 -0.312 0.000 1.093 125 I HN -0.018 nan 8.210 nan 0.000 0.430 126 E N 2.701 122.484 120.200 -0.695 0.000 2.414 126 E HA -0.048 4.297 4.350 -0.009 0.000 0.263 126 E C -0.247 176.255 176.600 -0.163 0.000 1.000 126 E CA -0.199 55.849 56.400 -0.587 0.000 0.914 126 E CB 0.602 30.091 29.700 -0.351 0.000 0.948 126 E HN 0.099 nan 8.360 nan 0.000 0.444 127 E N 3.435 123.633 120.200 -0.003 0.000 2.354 127 E HA 0.056 4.400 4.350 -0.009 0.000 0.269 127 E C -0.759 175.933 176.600 0.154 0.000 1.036 127 E CA -0.234 56.250 56.400 0.140 0.000 0.876 127 E CB 0.667 30.548 29.700 0.302 0.000 1.009 127 E HN 0.472 nan 8.360 nan 0.000 0.416 128 D N 0.866 121.327 120.400 0.101 0.000 2.455 128 D HA 0.127 4.761 4.640 -0.009 0.000 0.241 128 D C -0.265 176.046 176.300 0.019 0.000 1.138 128 D CA 0.203 54.232 54.000 0.048 0.000 0.877 128 D CB 0.551 41.364 40.800 0.021 0.000 1.187 128 D HN 0.379 nan 8.370 nan 0.000 0.451 129 A N 2.388 125.161 122.820 -0.077 0.000 2.671 129 A HA 0.464 4.778 4.320 -0.009 0.000 0.306 129 A C 1.039 178.441 177.584 -0.303 0.000 1.473 129 A CA -0.366 51.398 52.037 -0.456 0.000 1.155 129 A CB -0.291 18.515 19.000 -0.323 0.000 1.123 129 A HN 0.528 nan 8.150 nan 0.000 0.545 130 G N 2.168 110.749 108.800 -0.366 0.000 3.717 130 G HA2 0.420 4.374 3.960 -0.009 0.000 0.258 130 G HA3 0.420 4.374 3.960 -0.009 0.000 0.258 130 G C 0.288 174.993 174.900 -0.324 0.000 1.088 130 G CA -0.309 44.694 45.100 -0.161 0.000 1.737 130 G HN 0.696 nan 8.290 nan 0.000 0.648 131 L N 1.316 122.399 121.223 -0.233 0.000 2.862 131 L HA 0.399 4.734 4.340 -0.009 0.000 0.240 131 L C 1.042 177.852 176.870 -0.099 0.000 1.283 131 L CA -0.228 54.560 54.840 -0.087 0.000 1.117 131 L CB -0.294 41.832 42.059 0.113 0.000 1.444 131 L HN 0.333 nan 8.230 nan 0.000 0.456 132 G N -1.292 107.224 108.800 -0.473 0.000 2.608 132 G HA2 0.193 4.148 3.960 -0.009 0.000 0.291 132 G HA3 0.193 4.148 3.960 -0.009 0.000 0.291 132 G C -0.184 174.214 174.900 -0.837 0.000 1.425 132 G CA -0.448 44.340 45.100 -0.521 0.000 0.787 132 G HN -0.092 nan 8.290 nan 0.000 0.484 133 N N -0.855 117.596 118.700 -0.415 0.000 2.439 133 N HA 0.219 4.953 4.740 -0.009 0.000 0.176 133 N C 1.115 176.616 175.510 -0.016 0.000 1.029 133 N CA 1.291 54.203 53.050 -0.229 0.000 0.886 133 N CB 1.241 39.713 38.487 -0.025 0.000 1.057 133 N HN 0.829 nan 8.380 nan 0.000 0.437 134 G N -0.754 108.129 108.800 0.139 0.000 2.818 134 G HA2 0.225 4.179 3.960 -0.009 0.000 0.109 134 G HA3 0.225 4.179 3.960 -0.009 0.000 0.109 134 G C 0.686 175.722 174.900 0.226 0.000 1.206 134 G CA 0.220 45.496 45.100 0.293 0.000 1.243 134 G HN 0.140 nan 8.290 nan 0.000 0.609 135 G N 0.324 109.193 108.800 0.116 0.000 2.440 135 G HA2 -0.088 3.866 3.960 -0.009 0.000 0.218 135 G HA3 -0.088 3.866 3.960 -0.009 0.000 0.218 135 G C 1.873 176.763 174.900 -0.016 0.000 1.154 135 G CA 1.516 46.640 45.100 0.040 0.000 0.767 135 G HN 0.782 nan 8.290 nan 0.000 0.552 136 L N 0.572 121.759 121.223 -0.061 0.000 2.017 136 L HA 0.101 4.435 4.340 -0.009 0.000 0.208 136 L C 2.830 179.624 176.870 -0.127 0.000 1.073 136 L CA 1.965 56.676 54.840 -0.215 0.000 0.745 136 L CB -0.582 41.296 42.059 -0.301 0.000 0.894 136 L HN 0.232 nan 8.230 nan 0.000 0.432 137 G N -0.580 108.211 108.800 -0.015 0.000 2.408 137 G HA2 -0.309 3.646 3.960 -0.009 0.000 0.217 137 G HA3 -0.309 3.646 3.960 -0.009 0.000 0.217 137 G C 1.640 176.610 174.900 0.117 0.000 1.150 137 G CA 0.719 45.838 45.100 0.032 0.000 0.776 137 G HN 0.302 nan 8.290 nan 0.000 0.542 138 R N -0.014 120.585 120.500 0.166 0.000 2.115 138 R HA 0.140 4.474 4.340 -0.009 0.000 0.226 138 R C 2.297 178.592 176.300 -0.009 0.000 1.100 138 R CA 0.753 56.913 56.100 0.100 0.000 0.980 138 R CB -0.845 29.474 30.300 0.031 0.000 0.875 138 R HN 0.334 nan 8.270 nan 0.000 0.445 139 L N 0.170 121.319 121.223 -0.123 0.000 2.017 139 L HA -0.010 4.324 4.340 -0.009 0.000 0.208 139 L C 2.096 178.661 176.870 -0.509 0.000 1.073 139 L CA 2.179 56.797 54.840 -0.370 0.000 0.745 139 L CB -0.877 40.931 42.059 -0.419 0.000 0.894 139 L HN 0.250 nan 8.230 nan 0.000 0.432 140 A N -0.561 122.097 122.820 -0.270 0.000 1.908 140 A HA -0.194 4.120 4.320 -0.009 0.000 0.218 140 A C 2.439 180.056 177.584 0.055 0.000 1.181 140 A CA 2.049 53.992 52.037 -0.157 0.000 0.627 140 A CB -1.193 17.666 19.000 -0.235 0.000 0.818 140 A HN 0.585 nan 8.150 nan 0.000 0.445 141 A N -1.060 121.832 122.820 0.120 0.000 1.873 141 A HA -0.148 4.167 4.320 -0.009 0.000 0.215 141 A C 2.321 179.972 177.584 0.111 0.000 1.186 141 A CA 1.630 53.768 52.037 0.169 0.000 0.616 141 A CB -1.292 17.799 19.000 0.151 0.000 0.823 141 A HN 0.613 nan 8.150 nan 0.000 0.442 142 C N -1.359 118.003 119.300 0.104 0.000 2.429 142 C HA -0.082 4.373 4.460 -0.009 0.000 0.277 142 C C 2.430 177.575 174.990 0.259 0.000 1.262 142 C CA 0.627 59.747 59.018 0.170 0.000 1.733 142 C CB -1.663 26.199 27.740 0.203 0.000 2.010 142 C HN 0.598 nan 8.230 nan 0.000 0.483 143 F N 1.257 121.187 119.950 -0.033 0.000 2.126 143 F HA -0.087 4.434 4.527 -0.010 0.000 0.299 143 F C 2.254 177.991 175.800 -0.106 0.000 1.096 143 F CA 1.038 58.965 58.000 -0.120 0.000 1.255 143 F CB -1.417 37.372 39.000 -0.352 0.000 0.997 143 F HN 0.201 nan 8.300 nan 0.000 0.479 144 L N -0.403 120.890 121.223 0.116 0.000 2.046 144 L HA -0.253 4.082 4.340 -0.009 0.000 0.208 144 L C 2.165 179.045 176.870 0.016 0.000 1.077 144 L CA 1.924 56.790 54.840 0.042 0.000 0.747 144 L CB -0.811 41.275 42.059 0.045 0.000 0.896 144 L HN 0.102 nan 8.230 nan 0.000 0.432 145 D N -0.402 120.018 120.400 0.032 0.000 2.104 145 D HA -0.184 4.451 4.640 -0.009 0.000 0.194 145 D C 2.201 178.516 176.300 0.025 0.000 0.994 145 D CA 1.604 55.609 54.000 0.009 0.000 0.830 145 D CB 0.187 40.991 40.800 0.007 0.000 0.959 145 D HN 0.095 nan 8.370 nan 0.000 0.452 146 S N -0.779 114.954 115.700 0.054 0.000 2.383 146 S HA -0.095 4.369 4.470 -0.009 0.000 0.227 146 S C 1.991 176.604 174.600 0.022 0.000 1.026 146 S CA 0.825 59.050 58.200 0.042 0.000 0.981 146 S CB -0.210 63.023 63.200 0.056 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.991 120.597 119.600 0.010 0.000 2.159 147 M HA -0.093 4.381 4.480 -0.009 0.000 0.263 147 M C 2.446 178.745 176.300 -0.002 0.000 1.063 147 M CA 1.401 56.702 55.300 0.001 0.000 1.110 147 M CB -0.511 32.070 32.600 -0.032 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.236 122.579 122.820 -0.008 0.000 1.897 148 A HA -0.110 4.205 4.320 -0.009 0.000 0.215 148 A C 2.171 179.765 177.584 0.016 0.000 1.181 148 A CA 1.960 53.994 52.037 -0.005 0.000 0.620 148 A CB -1.038 17.941 19.000 -0.035 0.000 0.821 148 A HN 0.411 nan 8.150 nan 0.000 0.443 149 T N 0.367 114.937 114.554 0.026 0.000 2.833 149 T HA -0.015 4.329 4.350 -0.009 0.000 0.269 149 T C 1.351 176.078 174.700 0.045 0.000 1.054 149 T CA 1.168 63.297 62.100 0.049 0.000 1.135 149 T CB -0.277 68.628 68.868 0.063 0.000 0.869 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.482 121.728 121.223 0.039 0.000 2.629 150 L HA 0.297 4.631 4.340 -0.009 0.000 0.230 150 L C 1.647 178.547 176.870 0.050 0.000 1.151 150 L CA -0.040 54.825 54.840 0.043 0.000 0.924 150 L CB -0.429 41.656 42.059 0.043 0.000 1.137 150 L HN 0.408 nan 8.230 nan 0.000 0.457 151 G N 1.041 109.873 108.800 0.053 0.000 2.225 151 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.267 151 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.267 151 G C 0.121 175.074 174.900 0.087 0.000 1.024 151 G CA 0.033 45.182 45.100 0.083 0.000 0.784 151 G HN 0.285 nan 8.290 nan 0.000 0.507 152 L N -0.122 121.120 121.223 0.031 0.000 2.350 152 L HA 0.607 4.942 4.340 -0.009 0.000 0.275 152 L C 1.234 177.986 176.870 -0.197 0.000 1.099 152 L CA -0.349 54.460 54.840 -0.051 0.000 0.808 152 L CB 1.548 43.587 42.059 -0.033 0.000 1.149 152 L HN 0.254 nan 8.230 nan 0.000 0.442 153 A N 3.044 125.603 122.820 -0.435 0.000 2.981 153 A HA 0.551 4.865 4.320 -0.009 0.000 0.280 153 A C 0.286 177.524 177.584 -0.576 0.000 1.743 153 A CA -0.130 51.357 52.037 -0.916 0.000 1.430 153 A CB -0.697 17.653 19.000 -1.084 0.000 1.085 153 A HN 0.695 nan 8.150 nan 0.000 0.597 154 A N 1.580 124.099 122.820 -0.502 0.000 2.350 154 A HA 0.792 5.107 4.320 -0.009 0.000 0.324 154 A C -1.059 176.251 177.584 -0.458 0.000 1.118 154 A CA -0.464 51.349 52.037 -0.373 0.000 0.783 154 A CB 0.824 19.675 19.000 -0.248 0.000 1.236 154 A HN 0.617 nan 8.150 nan 0.000 0.457 155 Y N 0.448 120.677 120.300 -0.118 0.000 2.373 155 Y HA 0.538 5.083 4.550 -0.009 0.000 0.336 155 Y C 0.847 176.833 175.900 0.142 0.000 0.979 155 Y CA -0.546 57.560 58.100 0.009 0.000 1.080 155 Y CB 2.431 40.984 38.460 0.156 0.000 1.190 155 Y HN 0.845 nan 8.280 nan 0.000 0.446 156 G N 2.133 111.017 108.800 0.140 0.000 2.356 156 G HA2 0.452 4.407 3.960 -0.009 0.000 0.298 156 G HA3 0.452 4.407 3.960 -0.009 0.000 0.298 156 G C -1.760 173.155 174.900 0.025 0.000 1.145 156 G CA -0.235 44.987 45.100 0.202 0.000 0.850 156 G HN 0.531 nan 8.290 nan 0.000 0.487 157 Y N 0.732 121.248 120.300 0.360 0.000 2.391 157 Y HA 0.630 5.175 4.550 -0.009 0.000 0.341 157 Y C 0.724 176.918 175.900 0.490 0.000 0.965 157 Y CA 0.179 58.463 58.100 0.307 0.000 1.067 157 Y CB 2.732 41.406 38.460 0.357 0.000 1.199 157 Y HN 0.900 nan 8.280 nan 0.000 0.450 158 G N 2.255 111.369 108.800 0.522 0.000 2.753 158 G HA2 0.594 4.548 3.960 -0.009 0.000 0.303 158 G HA3 0.594 4.548 3.960 -0.009 0.000 0.303 158 G C -1.835 173.307 174.900 0.402 0.000 1.242 158 G CA -0.824 44.616 45.100 0.567 0.000 0.810 158 G HN 0.438 nan 8.290 nan 0.000 0.515 159 I N 0.510 121.213 120.570 0.222 0.000 2.441 159 I HA 0.435 4.599 4.170 -0.009 0.000 0.295 159 I C 0.356 176.390 176.117 -0.139 0.000 0.994 159 I CA -0.728 60.589 61.300 0.029 0.000 1.144 159 I CB 2.216 40.035 38.000 -0.301 0.000 1.314 159 I HN 0.356 nan 8.210 nan 0.000 0.445 160 R N 6.092 126.605 120.500 0.022 0.000 2.608 160 R HA 0.219 4.554 4.340 -0.009 0.000 0.277 160 R C -1.239 175.114 176.300 0.089 0.000 1.341 160 R CA -0.422 55.722 56.100 0.073 0.000 1.199 160 R CB -0.076 30.246 30.300 0.036 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 1.420 121.890 120.300 0.283 0.000 2.511 161 Y HA -0.084 4.460 4.550 -0.009 0.000 0.332 161 Y C 1.586 177.674 175.900 0.313 0.000 1.177 161 Y CA 0.106 58.364 58.100 0.263 0.000 1.422 161 Y CB 0.788 39.384 38.460 0.228 0.000 1.271 161 Y HN 0.582 nan 8.280 nan 0.000 0.550 162 E N 2.085 122.470 120.200 0.309 0.000 2.152 162 E HA -0.061 4.283 4.350 -0.009 0.000 0.192 162 E C -0.733 175.738 176.600 -0.214 0.000 0.983 162 E CA 0.669 57.047 56.400 -0.038 0.000 0.818 162 E CB 0.177 29.774 29.700 -0.172 0.000 0.758 162 E HN 0.500 nan 8.360 nan 0.000 0.467 163 F N -0.227 119.946 119.950 0.371 0.000 2.477 163 F HA 0.442 4.964 4.527 -0.009 0.000 0.335 163 F C 0.791 176.704 175.800 0.189 0.000 1.130 163 F CA -0.845 57.337 58.000 0.303 0.000 0.948 163 F CB 1.843 40.946 39.000 0.173 0.000 1.154 163 F HN -0.107 nan 8.300 nan 0.000 0.439 164 G N 1.866 110.803 108.800 0.229 0.000 2.531 164 G HA2 0.339 4.294 3.960 -0.009 0.000 0.253 164 G HA3 0.339 4.294 3.960 -0.009 0.000 0.253 164 G C -0.521 174.358 174.900 -0.035 0.000 1.439 164 G CA -0.668 44.406 45.100 -0.044 0.000 1.056 164 G HN 0.537 nan 8.290 nan 0.000 0.555 165 I N 0.937 121.406 120.570 -0.168 0.000 2.752 165 I HA 0.195 4.359 4.170 -0.009 0.000 0.289 165 I C 0.565 176.604 176.117 -0.131 0.000 1.197 165 I CA -1.162 60.010 61.300 -0.214 0.000 1.432 165 I CB -0.358 37.413 38.000 -0.382 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.242 126.208 119.950 0.028 0.000 2.595 166 F HA 0.230 4.752 4.527 -0.009 0.000 0.359 166 F C 0.561 176.414 175.800 0.090 0.000 1.147 166 F CA -0.580 57.458 58.000 0.063 0.000 1.341 166 F CB -0.366 38.658 39.000 0.041 0.000 1.104 166 F HN 0.427 nan 8.300 nan 0.000 0.603 167 N N 2.374 121.248 118.700 0.289 0.000 2.497 167 N HA 0.036 4.771 4.740 -0.009 0.000 0.271 167 N C -0.737 175.008 175.510 0.391 0.000 1.142 167 N CA -0.235 52.961 53.050 0.243 0.000 0.965 167 N CB 1.105 39.721 38.487 0.215 0.000 1.077 167 N HN 0.754 nan 8.380 nan 0.000 0.462 168 Q N 2.382 122.381 119.800 0.332 0.000 2.274 168 Q HA 0.176 4.510 4.340 -0.009 0.000 0.256 168 Q C -0.926 175.244 176.000 0.282 0.000 0.927 168 Q CA -0.392 55.642 55.803 0.386 0.000 0.939 168 Q CB 0.725 29.690 28.738 0.378 0.000 1.201 168 Q HN 0.250 nan 8.270 nan 0.000 0.426 169 K N 4.096 124.640 120.400 0.240 0.000 2.207 169 K HA 0.470 4.784 4.320 -0.009 0.000 0.255 169 K C -0.680 176.023 176.600 0.172 0.000 0.941 169 K CA -0.927 55.478 56.287 0.196 0.000 0.825 169 K CB 1.574 34.167 32.500 0.155 0.000 1.119 169 K HN 0.617 nan 8.250 nan 0.000 0.430 170 I N 1.968 122.633 120.570 0.159 0.000 2.330 170 I HA 0.154 4.319 4.170 -0.009 0.000 0.289 170 I C -0.144 176.034 176.117 0.102 0.000 1.001 170 I CA -0.744 60.620 61.300 0.106 0.000 1.193 170 I CB 0.900 38.945 38.000 0.075 0.000 1.345 170 I HN 0.489 nan 8.210 nan 0.000 0.461 171 C N 5.307 124.677 119.300 0.117 0.000 2.316 171 C HA 0.638 5.093 4.460 -0.009 0.000 0.324 171 C C 1.169 176.261 174.990 0.168 0.000 1.226 171 C CA 0.264 59.355 59.018 0.122 0.000 1.450 171 C CB -0.229 27.578 27.740 0.110 0.000 2.123 171 C HN 1.102 nan 8.230 nan 0.000 0.454 172 G N 4.122 112.992 108.800 0.118 0.000 2.249 172 G HA2 0.083 4.037 3.960 -0.009 0.000 0.273 172 G HA3 0.083 4.037 3.960 -0.009 0.000 0.273 172 G C 1.181 176.089 174.900 0.013 0.000 1.036 172 G CA 1.088 46.261 45.100 0.122 0.000 0.824 172 G HN 2.575 nan 8.290 nan 0.000 0.504 173 G N -2.885 105.868 108.800 -0.077 0.000 2.179 173 G HA2 -0.293 3.661 3.960 -0.009 0.000 0.260 173 G HA3 -0.293 3.661 3.960 -0.009 0.000 0.260 173 G C 0.340 174.995 174.900 -0.410 0.000 0.977 173 G CA 0.665 45.596 45.100 -0.281 0.000 0.641 173 G HN 1.223 nan 8.290 nan 0.000 0.533 174 W N 0.809 122.058 121.300 -0.085 0.000 2.496 174 W HA 0.647 5.301 4.660 -0.009 0.000 0.327 174 W C 0.634 177.102 176.519 -0.084 0.000 1.086 174 W CA -0.961 56.328 57.345 -0.094 0.000 1.222 174 W CB 0.901 30.323 29.460 -0.064 0.000 1.304 174 W HN 0.251 nan 8.180 nan 0.000 0.547 175 Q N 3.520 123.414 119.800 0.157 0.000 2.289 175 Q HA 0.145 4.479 4.340 -0.009 0.000 0.273 175 Q C -0.465 175.596 176.000 0.102 0.000 1.029 175 Q CA 0.316 56.187 55.803 0.113 0.000 0.896 175 Q CB 0.495 29.292 28.738 0.100 0.000 1.182 175 Q HN 0.329 nan 8.270 nan 0.000 0.385 176 M N 3.144 122.800 119.600 0.092 0.000 2.508 176 M HA 0.389 4.864 4.480 -0.009 0.000 0.327 176 M C -0.975 175.339 176.300 0.024 0.000 1.160 176 M CA -0.681 54.639 55.300 0.034 0.000 0.980 176 M CB 1.800 34.431 32.600 0.052 0.000 1.693 176 M HN 0.601 nan 8.290 nan 0.000 0.452 177 E N 1.529 121.674 120.200 -0.092 0.000 2.179 177 E HA 0.450 4.794 4.350 -0.009 0.000 0.275 177 E C -0.811 175.787 176.600 -0.002 0.000 0.945 177 E CA -0.574 55.740 56.400 -0.143 0.000 0.792 177 E CB 1.636 30.979 29.700 -0.595 0.000 1.125 177 E HN 0.504 nan 8.360 nan 0.000 0.397 178 E N 0.833 121.113 120.200 0.134 0.000 2.312 178 E HA 0.739 5.083 4.350 -0.009 0.000 0.267 178 E C -1.020 175.679 176.600 0.165 0.000 0.894 178 E CA -1.564 54.903 56.400 0.111 0.000 0.773 178 E CB 1.469 31.236 29.700 0.113 0.000 1.241 178 E HN 0.441 nan 8.360 nan 0.000 0.432 179 A N 1.961 124.839 122.820 0.097 0.000 2.546 179 A HA 0.048 4.362 4.320 -0.009 0.000 0.243 179 A C -0.132 177.633 177.584 0.301 0.000 1.063 179 A CA 0.247 52.358 52.037 0.123 0.000 0.757 179 A CB -0.126 18.826 19.000 -0.080 0.000 0.991 179 A HN 0.703 nan 8.150 nan 0.000 0.503 180 D N 1.888 122.537 120.400 0.415 0.000 2.522 180 D HA 0.200 4.835 4.640 -0.009 0.000 0.218 180 D C -0.420 176.203 176.300 0.539 0.000 1.149 180 D CA -0.227 54.015 54.000 0.403 0.000 0.981 180 D CB 0.350 41.323 40.800 0.289 0.000 1.041 180 D HN 0.377 nan 8.370 nan 0.000 0.518 181 D N 3.710 124.381 120.400 0.452 0.000 2.688 181 D HA -0.021 4.613 4.640 -0.009 0.000 0.228 181 D C 1.090 177.486 176.300 0.160 0.000 1.116 181 D CA -0.558 53.597 54.000 0.259 0.000 1.023 181 D CB -0.174 40.791 40.800 0.275 0.000 1.100 181 D HN 0.565 nan 8.370 nan 0.000 0.487 182 W N 1.810 123.121 121.300 0.018 0.000 2.525 182 W HA -0.024 4.630 4.660 -0.009 0.000 0.259 182 W C 0.101 176.663 176.519 0.071 0.000 1.253 182 W CA 0.084 57.473 57.345 0.073 0.000 1.262 182 W CB -0.687 28.824 29.460 0.085 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 0.950 121.773 121.223 -0.666 0.000 2.607 183 L HA 0.192 4.527 4.340 -0.009 0.000 0.228 183 L C 2.743 179.428 176.870 -0.309 0.000 1.123 183 L CA -0.023 54.416 54.840 -0.669 0.000 0.890 183 L CB -0.632 40.917 42.059 -0.850 0.000 1.103 183 L HN -0.115 nan 8.230 nan 0.000 0.468 184 R N 0.430 120.790 120.500 -0.234 0.000 2.119 184 R HA -0.228 4.107 4.340 -0.009 0.000 0.246 184 R C 1.487 177.584 176.300 -0.339 0.000 1.146 184 R CA 2.097 58.011 56.100 -0.310 0.000 0.962 184 R CB -0.150 29.900 30.300 -0.416 0.000 0.863 184 R HN 0.317 nan 8.270 nan 0.000 0.442 185 Y N -0.804 119.519 120.300 0.037 0.000 2.466 185 Y HA 0.327 4.871 4.550 -0.009 0.000 0.272 185 Y C 0.823 176.744 175.900 0.036 0.000 1.169 185 Y CA 0.429 58.583 58.100 0.090 0.000 1.285 185 Y CB 0.821 39.463 38.460 0.302 0.000 1.078 185 Y HN 0.350 nan 8.280 nan 0.000 0.523 186 G N 1.388 110.248 108.800 0.099 0.000 2.719 186 G HA2 -0.225 3.729 3.960 -0.009 0.000 0.686 186 G HA3 -0.225 3.729 3.960 -0.009 0.000 0.686 186 G C -1.235 173.751 174.900 0.143 0.000 1.201 186 G CA -0.885 44.230 45.100 0.025 0.000 0.768 186 G HN 0.251 nan 8.290 nan 0.000 0.629 187 N N 2.066 120.783 118.700 0.028 0.000 2.501 187 N HA 0.586 5.320 4.740 -0.009 0.000 0.245 187 N C -0.500 175.028 175.510 0.031 0.000 0.974 187 N CA -2.181 50.912 53.050 0.073 0.000 0.941 187 N CB 1.788 40.245 38.487 -0.049 0.000 1.122 187 N HN 0.239 nan 8.380 nan 0.000 0.507 188 P HA 0.021 nan 4.420 nan 0.000 0.233 188 P C 0.331 177.321 177.300 -0.516 0.000 1.167 188 P CA 0.718 63.551 63.100 -0.445 0.000 0.770 188 P CB 0.005 31.250 31.700 -0.758 0.000 0.837 189 W N 1.731 123.058 121.300 0.045 0.000 3.256 189 W HA 0.128 4.783 4.660 -0.009 0.000 0.269 189 W C 0.899 177.465 176.519 0.079 0.000 1.310 189 W CA -0.532 56.833 57.345 0.034 0.000 1.673 189 W CB 0.057 29.544 29.460 0.045 0.000 1.115 189 W HN 0.055 nan 8.180 nan 0.000 0.686 190 E N 0.955 121.312 120.200 0.261 0.000 2.221 190 E HA 0.522 4.866 4.350 -0.009 0.000 0.268 190 E C -0.901 175.856 176.600 0.261 0.000 0.933 190 E CA -1.168 55.406 56.400 0.289 0.000 0.809 190 E CB 1.819 31.697 29.700 0.297 0.000 1.190 190 E HN -0.303 nan 8.360 nan 0.000 0.406 191 K N 1.578 122.147 120.400 0.282 0.000 2.450 191 K HA 0.462 4.776 4.320 -0.009 0.000 0.257 191 K C -1.125 175.501 176.600 0.043 0.000 0.953 191 K CA -0.482 55.899 56.287 0.157 0.000 0.844 191 K CB 1.633 34.203 32.500 0.118 0.000 1.103 191 K HN 0.683 nan 8.250 nan 0.000 0.429 192 A N 4.245 127.011 122.820 -0.090 0.000 2.511 192 A HA 0.315 4.630 4.320 -0.009 0.000 0.242 192 A C -0.283 177.143 177.584 -0.263 0.000 1.069 192 A CA -0.057 51.691 52.037 -0.482 0.000 0.763 192 A CB 0.185 18.875 19.000 -0.516 0.000 1.001 192 A HN 0.657 nan 8.150 nan 0.000 0.498 193 R N 3.307 123.653 120.500 -0.258 0.000 2.868 193 R HA 0.214 4.549 4.340 -0.009 0.000 0.289 193 R C -2.299 173.981 176.300 -0.033 0.000 1.443 193 R CA -1.852 54.219 56.100 -0.048 0.000 1.651 193 R CB 0.719 31.103 30.300 0.140 0.000 1.242 193 R HN 0.597 nan 8.270 nan 0.000 0.621 194 P HA -0.173 nan 4.420 nan 0.000 0.222 194 P C 0.859 178.112 177.300 -0.078 0.000 1.147 194 P CA 1.059 64.116 63.100 -0.072 0.000 0.790 194 P CB 0.397 32.049 31.700 -0.081 0.000 0.780 195 E N -0.162 119.921 120.200 -0.194 0.000 2.338 195 E HA -0.130 4.214 4.350 -0.009 0.000 0.197 195 E C 0.651 177.005 176.600 -0.411 0.000 1.007 195 E CA 0.806 56.996 56.400 -0.350 0.000 0.849 195 E CB -0.842 28.535 29.700 -0.538 0.000 0.774 195 E HN 0.284 nan 8.360 nan 0.000 0.506 196 F N 1.773 121.737 119.950 0.024 0.000 2.647 196 F HA 0.241 4.763 4.527 -0.009 0.000 0.300 196 F C 0.481 176.381 175.800 0.167 0.000 1.106 196 F CA -0.346 57.704 58.000 0.084 0.000 1.313 196 F CB 0.271 39.317 39.000 0.076 0.000 1.007 196 F HN -0.289 nan 8.300 nan 0.000 0.536 197 T N 3.228 117.920 114.554 0.229 0.000 2.902 197 T HA 0.327 4.672 4.350 -0.009 0.000 0.301 197 T C -0.003 174.795 174.700 0.163 0.000 1.012 197 T CA 0.527 62.758 62.100 0.218 0.000 1.151 197 T CB 0.380 69.322 68.868 0.124 0.000 0.946 197 T HN 0.032 nan 8.240 nan 0.000 0.542 198 L N 5.677 126.973 121.223 0.120 0.000 2.388 198 L HA 0.519 4.854 4.340 -0.009 0.000 0.264 198 L C -2.264 174.568 176.870 -0.062 0.000 0.998 198 L CA -2.550 52.293 54.840 0.006 0.000 0.817 198 L CB 2.635 44.643 42.059 -0.086 0.000 1.338 198 L HN 0.397 nan 8.230 nan 0.000 0.414 199 P HA 0.280 nan 4.420 nan 0.000 0.284 199 P C -1.159 176.026 177.300 -0.191 0.000 1.253 199 P CA -0.385 62.640 63.100 -0.126 0.000 0.800 199 P CB 1.883 33.506 31.700 -0.128 0.000 0.961 200 V N 3.845 123.625 119.914 -0.223 0.000 2.604 200 V HA 0.330 4.444 4.120 -0.009 0.000 0.305 200 V C 0.197 176.080 176.094 -0.352 0.000 1.043 200 V CA -0.613 61.539 62.300 -0.247 0.000 0.888 200 V CB 1.401 33.101 31.823 -0.205 0.000 0.995 200 V HN 0.599 nan 8.190 nan 0.000 0.429 201 H N 3.758 122.653 119.070 -0.291 0.000 2.472 201 H HA 0.628 5.178 4.556 -0.009 0.000 0.338 201 H C -1.304 173.732 175.328 -0.486 0.000 1.133 201 H CA -0.135 55.673 56.048 -0.401 0.000 1.216 201 H CB 1.943 31.245 29.762 -0.768 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.231 120.245 119.950 0.107 0.000 2.613 202 F HA 0.205 4.727 4.527 -0.009 0.000 0.314 202 F C -0.271 175.663 175.800 0.223 0.000 1.075 202 F CA -0.560 57.516 58.000 0.127 0.000 0.945 202 F CB 1.085 40.065 39.000 -0.032 0.000 1.310 202 F HN 0.563 nan 8.300 nan 0.000 0.467 203 Y N 0.175 120.780 120.300 0.507 0.000 2.904 203 Y HA -0.007 4.538 4.550 -0.009 0.000 0.466 203 Y C 1.350 177.505 175.900 0.424 0.000 1.202 203 Y CA 0.698 59.014 58.100 0.359 0.000 2.492 203 Y CB -1.902 36.700 38.460 0.237 0.000 1.237 203 Y HN 1.302 nan 8.280 nan 0.000 0.633 204 G N 0.632 109.710 108.800 0.464 0.000 2.593 204 G HA2 0.105 4.060 3.960 -0.009 0.000 0.237 204 G HA3 0.105 4.060 3.960 -0.009 0.000 0.237 204 G C -0.587 174.527 174.900 0.356 0.000 1.312 204 G CA 0.918 46.214 45.100 0.327 0.000 0.896 204 G HN 1.372 nan 8.290 nan 0.000 0.574 205 R N -2.577 118.129 120.500 0.344 0.000 2.733 205 R HA 0.704 5.038 4.340 -0.009 0.000 0.272 205 R C -1.375 175.060 176.300 0.226 0.000 1.029 205 R CA -1.004 55.240 56.100 0.240 0.000 0.888 205 R CB 1.323 31.710 30.300 0.145 0.000 1.251 205 R HN 0.890 nan 8.270 nan 0.000 0.464 206 V N 0.881 120.841 119.914 0.078 0.000 2.394 206 V HA 0.366 4.480 4.120 -0.009 0.000 0.282 206 V C -0.191 175.834 176.094 -0.116 0.000 1.031 206 V CA -0.521 61.751 62.300 -0.046 0.000 0.881 206 V CB 1.308 33.032 31.823 -0.165 0.000 0.982 206 V HN 0.706 nan 8.190 nan 0.000 0.451 207 E N 2.767 122.879 120.200 -0.146 0.000 2.183 207 E HA 0.427 4.772 4.350 -0.009 0.000 0.271 207 E C -1.043 175.404 176.600 -0.254 0.000 0.919 207 E CA -0.730 55.597 56.400 -0.122 0.000 0.781 207 E CB 1.037 30.722 29.700 -0.026 0.000 1.140 207 E HN 0.701 nan 8.360 nan 0.000 0.402 208 H N 2.301 121.386 119.070 0.025 0.000 2.556 208 H HA 0.218 4.769 4.556 -0.009 0.000 0.310 208 H C 0.047 175.384 175.328 0.016 0.000 1.057 208 H CA -0.306 55.752 56.048 0.017 0.000 1.264 208 H CB 1.197 30.964 29.762 0.009 0.000 1.404 208 H HN 0.553 nan 8.280 nan 0.000 0.462 209 T N -0.693 113.924 114.554 0.105 0.000 2.922 209 T HA 0.191 4.536 4.350 -0.009 0.000 0.281 209 T C 1.461 176.199 174.700 0.064 0.000 1.005 209 T CA -0.742 61.399 62.100 0.068 0.000 0.982 209 T CB 1.115 70.007 68.868 0.040 0.000 1.158 209 T HN 0.378 nan 8.240 nan 0.000 0.566 210 S N 1.148 116.875 115.700 0.043 0.000 2.374 210 S HA -0.140 4.324 4.470 -0.009 0.000 0.227 210 S C 1.426 176.047 174.600 0.035 0.000 1.037 210 S CA 1.364 59.584 58.200 0.034 0.000 1.024 210 S CB -0.463 62.753 63.200 0.025 0.000 0.861 210 S HN 0.903 nan 8.310 nan 0.000 0.456 211 Q N 1.200 121.021 119.800 0.035 0.000 2.824 211 Q HA 0.542 4.877 4.340 -0.009 0.000 0.371 211 Q C 0.317 176.341 176.000 0.040 0.000 1.071 211 Q CA 0.014 55.838 55.803 0.034 0.000 1.064 211 Q CB -0.317 28.437 28.738 0.027 0.000 1.332 211 Q HN 0.388 nan 8.270 nan 0.000 0.445 212 G N 0.458 109.293 108.800 0.059 0.000 2.655 212 G HA2 0.099 4.053 3.960 -0.009 0.000 0.680 212 G HA3 0.099 4.053 3.960 -0.009 0.000 0.680 212 G C -0.826 174.114 174.900 0.068 0.000 1.302 212 G CA -0.484 44.660 45.100 0.073 0.000 0.872 212 G HN 0.898 nan 8.290 nan 0.000 0.540 213 A N 0.107 122.957 122.820 0.050 0.000 2.371 213 A HA 0.704 5.019 4.320 -0.009 0.000 0.257 213 A C 0.485 178.036 177.584 -0.056 0.000 1.089 213 A CA 0.383 52.377 52.037 -0.071 0.000 0.794 213 A CB 0.591 19.522 19.000 -0.115 0.000 1.029 213 A HN 0.742 nan 8.150 nan 0.000 0.488 214 K N 0.809 121.164 120.400 -0.074 0.000 2.443 214 K HA 0.205 4.519 4.320 -0.009 0.000 0.252 214 K C -1.826 174.814 176.600 0.067 0.000 0.933 214 K CA -0.372 55.913 56.287 -0.002 0.000 0.792 214 K CB 2.113 34.612 32.500 -0.002 0.000 1.185 214 K HN 0.749 nan 8.250 nan 0.000 0.425 215 W N 5.366 126.590 121.300 -0.127 0.000 2.308 215 W HA 0.350 5.004 4.660 -0.009 0.000 0.311 215 W C -0.682 175.784 176.519 -0.088 0.000 1.088 215 W CA -0.764 56.513 57.345 -0.114 0.000 1.309 215 W CB 0.159 29.536 29.460 -0.138 0.000 1.229 215 W HN 0.292 nan 8.180 nan 0.000 0.427 216 V N 2.797 122.764 119.914 0.089 0.000 3.126 216 V HA 0.616 4.731 4.120 -0.009 0.000 0.314 216 V C -0.242 175.838 176.094 -0.023 0.000 1.138 216 V CA -0.974 61.308 62.300 -0.030 0.000 1.034 216 V CB 1.998 33.830 31.823 0.015 0.000 1.075 216 V HN 0.463 nan 8.190 nan 0.000 0.442 217 D N 0.206 120.593 120.400 -0.021 0.000 2.800 217 D HA -0.135 4.499 4.640 -0.009 0.000 0.232 217 D C 0.521 176.838 176.300 0.027 0.000 1.137 217 D CA 1.553 55.564 54.000 0.018 0.000 0.718 217 D CB -1.592 39.239 40.800 0.052 0.000 1.084 217 D HN 1.335 nan 8.370 nan 0.000 0.432 218 T N -2.832 111.696 114.554 -0.043 0.000 2.899 218 T HA 0.504 4.849 4.350 -0.009 0.000 0.284 218 T C 0.472 175.230 174.700 0.097 0.000 1.004 218 T CA -0.760 61.326 62.100 -0.023 0.000 1.043 218 T CB 1.887 70.594 68.868 -0.269 0.000 1.013 218 T HN 0.045 nan 8.240 nan 0.000 0.518 219 Q N 0.522 120.447 119.800 0.208 0.000 2.235 219 Q HA 0.580 4.915 4.340 -0.009 0.000 0.250 219 Q C -0.940 175.166 176.000 0.176 0.000 0.909 219 Q CA -0.886 55.061 55.803 0.240 0.000 0.910 219 Q CB 1.814 30.774 28.738 0.370 0.000 1.223 219 Q HN 0.519 nan 8.270 nan 0.000 0.432 220 V N 2.882 122.857 119.914 0.101 0.000 2.459 220 V HA 0.419 4.534 4.120 -0.009 0.000 0.295 220 V C -0.391 175.740 176.094 0.062 0.000 1.029 220 V CA -0.673 61.591 62.300 -0.060 0.000 0.874 220 V CB 1.696 33.424 31.823 -0.158 0.000 0.985 220 V HN 0.490 nan 8.190 nan 0.000 0.438 221 V N 5.901 125.872 119.914 0.095 0.000 2.555 221 V HA 0.494 4.608 4.120 -0.009 0.000 0.302 221 V C -0.134 176.034 176.094 0.123 0.000 1.038 221 V CA -0.663 61.708 62.300 0.119 0.000 0.887 221 V CB 1.955 33.928 31.823 0.250 0.000 0.991 221 V HN 0.644 nan 8.190 nan 0.000 0.434 222 L N 3.470 124.758 121.223 0.109 0.000 2.350 222 L HA 0.721 5.056 4.340 -0.009 0.000 0.275 222 L C 0.462 177.500 176.870 0.280 0.000 1.099 222 L CA -0.278 54.639 54.840 0.129 0.000 0.808 222 L CB 1.239 43.354 42.059 0.093 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 5.063 128.001 122.820 0.197 0.000 2.267 223 A HA 0.586 4.900 4.320 -0.009 0.000 0.315 223 A C -0.497 177.356 177.584 0.448 0.000 1.297 223 A CA -0.464 51.732 52.037 0.264 0.000 0.865 223 A CB 0.890 19.610 19.000 -0.467 0.000 1.165 223 A HN 0.777 nan 8.150 nan 0.000 0.513 224 M N 5.851 125.766 119.600 0.525 0.000 2.129 224 M HA 0.461 4.935 4.480 -0.009 0.000 0.348 224 M C -2.619 173.927 176.300 0.410 0.000 1.116 224 M CA -2.161 53.383 55.300 0.407 0.000 1.022 224 M CB 2.082 34.839 32.600 0.261 0.000 1.599 224 M HN 0.349 nan 8.290 nan 0.000 0.449 225 P HA 0.286 nan 4.420 nan 0.000 0.286 225 P C -1.944 175.256 177.300 -0.167 0.000 1.261 225 P CA -0.055 62.918 63.100 -0.212 0.000 0.821 225 P CB 0.593 31.963 31.700 -0.550 0.000 1.013 226 Y N 0.327 120.544 120.300 -0.137 0.000 2.350 226 Y HA 0.345 4.889 4.550 -0.009 0.000 0.338 226 Y C 0.204 176.070 175.900 -0.058 0.000 0.961 226 Y CA -0.345 57.732 58.100 -0.038 0.000 1.100 226 Y CB 1.414 39.888 38.460 0.024 0.000 1.179 226 Y HN 0.211 nan 8.280 nan 0.000 0.454 227 D N 1.815 122.301 120.400 0.142 0.000 2.193 227 D HA 0.410 5.044 4.640 -0.009 0.000 0.244 227 D C -0.637 175.880 176.300 0.362 0.000 1.064 227 D CA -0.208 53.909 54.000 0.195 0.000 0.845 227 D CB 1.752 42.663 40.800 0.186 0.000 1.148 227 D HN 0.387 nan 8.370 nan 0.000 0.464 228 T N 3.257 117.951 114.554 0.234 0.000 2.807 228 T HA 0.471 4.815 4.350 -0.009 0.000 0.279 228 T C -2.506 172.097 174.700 -0.161 0.000 0.993 228 T CA -1.473 60.688 62.100 0.102 0.000 0.970 228 T CB 2.052 70.954 68.868 0.057 0.000 0.950 228 T HN 0.174 nan 8.240 nan 0.000 0.441 229 P HA 0.306 nan 4.420 nan 0.000 0.275 229 P C -1.008 175.985 177.300 -0.512 0.000 1.227 229 P CA -0.394 62.090 63.100 -1.026 0.000 0.781 229 P CB 0.823 31.680 31.700 -1.406 0.000 0.906 230 V N 5.077 124.738 119.914 -0.421 0.000 2.305 230 V HA 0.265 4.379 4.120 -0.009 0.000 0.275 230 V C -2.092 173.862 176.094 -0.233 0.000 1.020 230 V CA -1.912 60.228 62.300 -0.266 0.000 0.811 230 V CB 1.283 32.997 31.823 -0.182 0.000 1.031 230 V HN 0.542 nan 8.190 nan 0.000 0.439 231 P HA 0.290 nan 4.420 nan 0.000 0.285 231 P C 0.379 177.622 177.300 -0.095 0.000 1.259 231 P CA 0.261 63.263 63.100 -0.164 0.000 0.794 231 P CB 1.616 33.218 31.700 -0.163 0.000 0.940 232 G N 2.203 110.965 108.800 -0.063 0.000 2.599 232 G HA2 0.123 4.077 3.960 -0.009 0.000 0.264 232 G HA3 0.123 4.077 3.960 -0.009 0.000 0.264 232 G C -1.154 173.755 174.900 0.014 0.000 1.200 232 G CA -0.551 44.543 45.100 -0.010 0.000 0.896 232 G HN 0.513 nan 8.290 nan 0.000 0.536 233 Y N 0.956 121.215 120.300 -0.068 0.000 2.624 233 Y HA 0.248 4.793 4.550 -0.010 0.000 0.354 233 Y C 1.350 177.211 175.900 -0.066 0.000 1.051 233 Y CA -0.185 57.870 58.100 -0.074 0.000 1.377 233 Y CB -0.101 38.315 38.460 -0.074 0.000 1.168 233 Y HN 0.733 nan 8.280 nan 0.000 0.525 234 R N 3.009 123.228 120.500 -0.469 0.000 3.627 234 R HA -0.326 4.009 4.340 -0.009 0.000 0.281 234 R C 0.105 176.273 176.300 -0.219 0.000 1.140 234 R CA 1.352 57.196 56.100 -0.426 0.000 0.761 234 R CB -2.139 27.752 30.300 -0.681 0.000 1.181 234 R HN 0.947 nan 8.270 nan 0.000 0.472 235 N N -0.662 117.957 118.700 -0.135 0.000 2.177 235 N HA 0.040 4.774 4.740 -0.009 0.000 0.218 235 N C -0.080 175.383 175.510 -0.078 0.000 1.182 235 N CA -0.468 52.533 53.050 -0.081 0.000 0.882 235 N CB 0.468 38.932 38.487 -0.037 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.155 118.493 118.700 -0.087 0.000 2.753 236 N HA -0.137 4.598 4.740 -0.009 0.000 0.251 236 N C -0.887 174.579 175.510 -0.073 0.000 1.097 236 N CA 0.613 53.619 53.050 -0.074 0.000 0.786 236 N CB -1.338 37.108 38.487 -0.069 0.000 1.137 236 N HN 0.192 nan 8.380 nan 0.000 0.566 237 V N 1.138 121.012 119.914 -0.067 0.000 2.498 237 V HA 0.393 4.507 4.120 -0.009 0.000 0.279 237 V C 0.672 176.727 176.094 -0.065 0.000 1.048 237 V CA -0.417 61.848 62.300 -0.057 0.000 0.967 237 V CB 2.065 33.879 31.823 -0.015 0.000 0.988 237 V HN -0.026 nan 8.190 nan 0.000 0.473 238 V N 5.259 125.137 119.914 -0.060 0.000 2.419 238 V HA 0.435 4.550 4.120 -0.009 0.000 0.287 238 V C -0.124 175.939 176.094 -0.052 0.000 1.017 238 V CA -0.857 61.367 62.300 -0.126 0.000 0.844 238 V CB 1.504 33.202 31.823 -0.209 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 1.935 120.581 118.700 -0.090 0.000 2.448 239 N HA 0.575 5.310 4.740 -0.009 0.000 0.274 239 N C -0.062 175.418 175.510 -0.050 0.000 1.239 239 N CA -0.300 52.721 53.050 -0.047 0.000 0.982 239 N CB 1.259 39.681 38.487 -0.107 0.000 1.199 239 N HN 0.589 nan 8.380 nan 0.000 0.576 240 T N 0.775 115.307 114.554 -0.038 0.000 2.841 240 T HA 0.402 4.746 4.350 -0.009 0.000 0.283 240 T C -0.241 174.419 174.700 -0.066 0.000 1.000 240 T CA -0.505 61.649 62.100 0.089 0.000 0.977 240 T CB 1.032 70.062 68.868 0.270 0.000 0.979 240 T HN 0.287 nan 8.240 nan 0.000 0.446 241 M N 3.757 123.293 119.600 -0.108 0.000 2.101 241 M HA 0.494 4.968 4.480 -0.009 0.000 0.340 241 M C -0.510 175.642 176.300 -0.246 0.000 1.057 241 M CA -0.754 54.396 55.300 -0.251 0.000 0.984 241 M CB 0.743 33.144 32.600 -0.332 0.000 1.560 241 M HN 0.486 nan 8.290 nan 0.000 0.435 242 R N 5.924 126.167 120.500 -0.429 0.000 2.265 242 R HA 0.631 4.965 4.340 -0.009 0.000 0.328 242 R C -1.941 174.062 176.300 -0.494 0.000 0.969 242 R CA -0.414 55.380 56.100 -0.511 0.000 0.832 242 R CB 0.861 30.674 30.300 -0.813 0.000 1.139 242 R HN 0.806 nan 8.270 nan 0.000 0.457 243 L N 4.966 126.002 121.223 -0.312 0.000 2.341 243 L HA 0.514 4.849 4.340 -0.009 0.000 0.278 243 L C -0.866 175.947 176.870 -0.094 0.000 1.005 243 L CA -0.928 53.828 54.840 -0.140 0.000 0.818 243 L CB 1.583 43.652 42.059 0.016 0.000 1.259 243 L HN 0.589 nan 8.230 nan 0.000 0.418 244 W N 1.744 123.167 121.300 0.206 0.000 2.365 244 W HA 0.503 5.157 4.660 -0.009 0.000 0.316 244 W C 0.496 177.244 176.519 0.381 0.000 1.164 244 W CA -0.236 57.260 57.345 0.252 0.000 1.204 244 W CB 1.581 31.071 29.460 0.051 0.000 1.213 244 W HN 0.332 nan 8.180 nan 0.000 0.539 245 S N 1.834 117.938 115.700 0.674 0.000 2.482 245 S HA 0.781 5.246 4.470 -0.009 0.000 0.303 245 S C -0.473 174.456 174.600 0.549 0.000 1.091 245 S CA -0.703 57.795 58.200 0.497 0.000 1.057 245 S CB 0.665 64.104 63.200 0.399 0.000 1.031 245 S HN 0.521 nan 8.310 nan 0.000 0.485 246 A N 4.823 127.800 122.820 0.262 0.000 2.328 246 A HA 0.679 4.993 4.320 -0.009 0.000 0.284 246 A C -0.313 177.324 177.584 0.089 0.000 1.160 246 A CA -0.357 51.731 52.037 0.085 0.000 0.818 246 A CB 0.351 19.113 19.000 -0.396 0.000 1.087 246 A HN 0.677 nan 8.150 nan 0.000 0.504 247 K N 1.307 121.771 120.400 0.107 0.000 2.468 247 K HA 0.581 4.895 4.320 -0.009 0.000 0.252 247 K C -0.462 176.117 176.600 -0.035 0.000 0.932 247 K CA -0.437 55.877 56.287 0.045 0.000 0.794 247 K CB 2.290 34.848 32.500 0.096 0.000 1.241 247 K HN 0.817 nan 8.250 nan 0.000 0.428 248 A N 4.120 126.863 122.820 -0.129 0.000 2.425 248 A HA 0.417 4.731 4.320 -0.009 0.000 0.249 248 A C -2.028 175.511 177.584 -0.074 0.000 1.084 248 A CA -0.873 51.007 52.037 -0.261 0.000 0.781 248 A CB -0.433 18.294 19.000 -0.455 0.000 1.019 248 A HN 0.347 nan 8.150 nan 0.000 0.490 249 P HA 0.110 nan 4.420 nan 0.000 0.272 249 P C 0.205 177.578 177.300 0.121 0.000 1.240 249 P CA -0.449 62.693 63.100 0.069 0.000 0.791 249 P CB 0.555 32.312 31.700 0.096 0.000 0.978 250 N N 0.915 119.675 118.700 0.100 0.000 2.331 250 N HA -0.112 4.623 4.740 -0.009 0.000 0.180 250 N C 0.727 176.312 175.510 0.126 0.000 1.019 250 N CA 1.136 54.248 53.050 0.104 0.000 0.881 250 N CB -0.357 38.176 38.487 0.076 0.000 0.972 250 N HN 0.575 nan 8.380 nan 0.000 0.435 251 D N -0.441 120.034 120.400 0.124 0.000 2.325 251 D HA -0.067 4.567 4.640 -0.009 0.000 0.225 251 D C 0.173 176.546 176.300 0.123 0.000 1.096 251 D CA -0.537 53.527 54.000 0.106 0.000 0.844 251 D CB -1.013 39.831 40.800 0.075 0.000 0.925 251 D HN 0.042 nan 8.370 nan 0.000 0.513 252 F N 1.928 121.892 119.950 0.023 0.000 2.578 252 F HA 0.113 4.635 4.527 -0.009 0.000 0.381 252 F C 0.749 176.555 175.800 0.009 0.000 1.069 252 F CA 0.105 58.115 58.000 0.017 0.000 1.231 252 F CB 0.083 39.094 39.000 0.019 0.000 1.086 252 F HN -0.132 nan 8.300 nan 0.000 0.564 253 N N 2.503 120.779 118.700 -0.706 0.000 2.815 253 N HA -0.270 4.464 4.740 -0.009 0.000 0.247 253 N C -0.874 174.519 175.510 -0.196 0.000 1.030 253 N CA 1.477 54.222 53.050 -0.507 0.000 0.881 253 N CB -1.239 36.931 38.487 -0.528 0.000 1.134 253 N HN 0.565 nan 8.380 nan 0.000 0.582 262 Y N 1.721 122.018 120.300 -0.005 0.000 2.145 262 Y HA -0.009 4.535 4.550 -0.009 0.000 0.286 262 Y C 2.722 178.626 175.900 0.008 0.000 1.145 262 Y CA 2.239 60.339 58.100 0.000 0.000 1.148 262 Y CB -0.118 38.344 38.460 0.003 0.000 0.981 262 Y HN 0.192 nan 8.280 nan 0.000 0.507 263 I N 0.537 121.049 120.570 -0.096 0.000 2.163 263 I HA -0.307 3.857 4.170 -0.009 0.000 0.243 263 I C 2.386 178.399 176.117 -0.173 0.000 1.085 263 I CA 1.777 62.968 61.300 -0.183 0.000 1.347 263 I CB -1.487 36.508 38.000 -0.009 0.000 1.044 263 I HN 0.339 nan 8.210 nan 0.000 0.408 264 Q N 1.031 120.777 119.800 -0.090 0.000 2.084 264 Q HA -0.111 4.223 4.340 -0.009 0.000 0.202 264 Q C 2.250 178.201 176.000 -0.081 0.000 0.978 264 Q CA 2.220 57.985 55.803 -0.064 0.000 0.844 264 Q CB -0.376 28.341 28.738 -0.035 0.000 0.898 264 Q HN 0.478 nan 8.270 nan 0.000 0.426 265 A N -0.741 122.011 122.820 -0.114 0.000 1.908 265 A HA -0.159 4.156 4.320 -0.009 0.000 0.218 265 A C 2.258 179.789 177.584 -0.088 0.000 1.181 265 A CA 1.774 53.744 52.037 -0.112 0.000 0.627 265 A CB -0.870 18.062 19.000 -0.112 0.000 0.818 265 A HN 0.268 nan 8.150 nan 0.000 0.445 266 V N 0.214 120.007 119.914 -0.201 0.000 2.343 266 V HA -0.246 3.869 4.120 -0.009 0.000 0.247 266 V C 2.532 178.597 176.094 -0.049 0.000 1.051 266 V CA 1.872 64.081 62.300 -0.151 0.000 1.036 266 V CB -0.803 30.836 31.823 -0.307 0.000 0.654 266 V HN 0.570 nan 8.190 nan 0.000 0.451 267 L N -0.139 121.048 121.223 -0.060 0.000 2.131 267 L HA -0.168 4.166 4.340 -0.009 0.000 0.210 267 L C 2.056 178.946 176.870 0.033 0.000 1.092 267 L CA 1.331 56.163 54.840 -0.014 0.000 0.759 267 L CB -0.697 41.349 42.059 -0.021 0.000 0.903 267 L HN 0.346 nan 8.230 nan 0.000 0.435 268 D N -0.090 120.345 120.400 0.058 0.000 2.371 268 D HA -0.070 4.565 4.640 -0.009 0.000 0.221 268 D C 2.134 178.606 176.300 0.287 0.000 0.986 268 D CA 0.413 54.492 54.000 0.132 0.000 0.899 268 D CB -0.001 40.854 40.800 0.091 0.000 0.902 268 D HN 0.229 nan 8.370 nan 0.000 0.530 269 R N 0.390 121.038 120.500 0.247 0.000 2.159 269 R HA -0.098 4.236 4.340 -0.009 0.000 0.237 269 R C 1.703 177.993 176.300 -0.017 0.000 1.131 269 R CA 1.011 57.190 56.100 0.132 0.000 0.982 269 R CB -0.307 30.037 30.300 0.073 0.000 0.868 269 R HN 0.349 nan 8.270 nan 0.000 0.453 270 N N 0.239 118.959 118.700 0.032 0.000 2.192 270 N HA -0.190 4.545 4.740 -0.009 0.000 0.188 270 N C 1.246 176.758 175.510 0.002 0.000 1.013 270 N CA 0.718 53.776 53.050 0.013 0.000 0.863 270 N CB -0.091 38.414 38.487 0.030 0.000 0.990 270 N HN 0.023 nan 8.380 nan 0.000 0.430 271 L N 1.036 122.281 121.223 0.038 0.000 2.017 271 L HA -0.130 4.204 4.340 -0.009 0.000 0.208 271 L C 2.436 179.283 176.870 -0.038 0.000 1.073 271 L CA 1.460 56.324 54.840 0.040 0.000 0.745 271 L CB -1.041 41.096 42.059 0.130 0.000 0.894 271 L HN 0.162 nan 8.230 nan 0.000 0.432 272 A N -1.036 121.691 122.820 -0.156 0.000 1.930 272 A HA -0.162 4.152 4.320 -0.009 0.000 0.217 272 A C 2.162 179.625 177.584 -0.202 0.000 1.175 272 A CA 1.368 53.248 52.037 -0.262 0.000 0.627 272 A CB -0.419 18.222 19.000 -0.599 0.000 0.815 272 A HN 0.509 nan 8.150 nan 0.000 0.443 273 E N -0.001 120.105 120.200 -0.157 0.000 2.427 273 E HA -0.074 4.270 4.350 -0.009 0.000 0.196 273 E C 1.083 177.646 176.600 -0.062 0.000 1.028 273 E CA 0.210 56.549 56.400 -0.102 0.000 0.864 273 E CB -0.118 29.547 29.700 -0.057 0.000 0.813 273 E HN 0.457 nan 8.360 nan 0.000 0.514 274 N N 1.065 119.738 118.700 -0.045 0.000 2.348 274 N HA -0.133 4.601 4.740 -0.009 0.000 0.185 274 N C 1.584 177.090 175.510 -0.006 0.000 1.019 274 N CA 0.717 53.767 53.050 0.000 0.000 0.880 274 N CB -0.093 38.400 38.487 0.009 0.000 0.965 274 N HN 0.265 nan 8.380 nan 0.000 0.437 275 I N 0.363 120.869 120.570 -0.108 0.000 2.194 275 I HA -0.264 3.901 4.170 -0.009 0.000 0.246 275 I C 1.459 177.536 176.117 -0.067 0.000 1.093 275 I CA 1.336 62.539 61.300 -0.162 0.000 1.355 275 I CB -0.246 37.490 38.000 -0.440 0.000 1.046 275 I HN 0.131 nan 8.210 nan 0.000 0.413 276 S N -0.411 115.241 115.700 -0.079 0.000 2.583 276 S HA 0.186 4.651 4.470 -0.009 0.000 0.239 276 S C 1.476 176.210 174.600 0.223 0.000 0.966 276 S CA -0.498 57.743 58.200 0.068 0.000 0.973 276 S CB 0.207 63.428 63.200 0.035 0.000 0.794 276 S HN 0.221 nan 8.310 nan 0.000 0.463 277 R N 1.254 121.893 120.500 0.233 0.000 2.075 277 R HA 0.285 4.620 4.340 -0.009 0.000 0.226 277 R C 0.332 176.898 176.300 0.443 0.000 1.114 277 R CA 0.991 57.275 56.100 0.306 0.000 0.972 277 R CB -0.164 30.277 30.300 0.234 0.000 0.869 277 R HN 0.386 nan 8.270 nan 0.000 0.437 278 V N 0.414 120.554 119.914 0.375 0.000 2.851 278 V HA 0.337 4.452 4.120 -0.009 0.000 0.307 278 V C -1.632 174.446 176.094 -0.027 0.000 1.129 278 V CA -1.372 61.066 62.300 0.230 0.000 0.932 278 V CB 1.767 33.642 31.823 0.086 0.000 1.024 278 V HN 0.139 nan 8.190 nan 0.000 0.426 279 L N 7.037 128.009 121.223 -0.418 0.000 2.410 279 L HA 0.448 4.783 4.340 -0.009 0.000 0.273 279 L C -0.800 175.915 176.870 -0.259 0.000 1.144 279 L CA 0.492 54.871 54.840 -0.768 0.000 0.863 279 L CB 0.340 41.911 42.059 -0.814 0.000 1.140 279 L HN 0.674 nan 8.230 nan 0.000 0.463 280 Y N 7.199 127.402 120.300 -0.161 0.000 2.569 280 Y HA 0.178 4.722 4.550 -0.009 0.000 0.332 280 Y C -1.322 174.568 175.900 -0.016 0.000 1.120 280 Y CA -1.130 56.949 58.100 -0.034 0.000 1.416 280 Y CB 0.328 38.790 38.460 0.004 0.000 1.210 280 Y HN 0.581 nan 8.280 nan 0.000 0.528 281 P HA 0.049 nan 4.420 nan 0.000 0.258 281 P C -1.099 176.338 177.300 0.228 0.000 1.416 281 P CA -0.010 63.198 63.100 0.179 0.000 0.927 281 P CB -0.044 31.843 31.700 0.311 0.000 1.444 282 N N 2.117 120.964 118.700 0.245 0.000 2.497 282 N HA 0.185 4.919 4.740 -0.009 0.000 0.271 282 N C -0.272 175.399 175.510 0.269 0.000 1.142 282 N CA -0.235 52.985 53.050 0.285 0.000 0.965 282 N CB 0.380 39.054 38.487 0.312 0.000 1.077 282 N HN 0.119 nan 8.380 nan 0.000 0.462 283 D N 1.308 121.919 120.400 0.350 0.000 2.391 283 D HA 0.150 4.785 4.640 -0.009 0.000 0.245 283 D C -0.498 176.070 176.300 0.448 0.000 1.069 283 D CA -0.713 53.512 54.000 0.374 0.000 0.831 283 D CB 0.517 41.590 40.800 0.455 0.000 1.204 283 D HN 0.493 nan 8.370 nan 0.000 0.503 284 N N 0.831 119.701 118.700 0.283 0.000 2.714 284 N HA -0.240 4.495 4.740 -0.009 0.000 0.252 284 N C -1.173 174.550 175.510 0.355 0.000 1.014 284 N CA 0.603 53.794 53.050 0.235 0.000 0.735 284 N CB -0.993 37.555 38.487 0.101 0.000 0.924 284 N HN 0.481 nan 8.380 nan 0.000 0.540 285 F N 0.480 120.521 119.950 0.152 0.000 2.635 285 F HA 0.494 5.015 4.527 -0.009 0.000 0.314 285 F C -1.606 174.274 175.800 0.133 0.000 1.119 285 F CA -1.265 56.800 58.000 0.108 0.000 1.000 285 F CB 1.111 40.135 39.000 0.040 0.000 1.278 285 F HN -0.027 nan 8.300 nan 0.000 0.446 286 F N 5.635 125.054 119.950 -0.884 0.000 2.411 286 F HA 0.496 5.018 4.527 -0.009 0.000 0.352 286 F C -0.617 174.661 175.800 -0.870 0.000 1.123 286 F CA -0.189 57.387 58.000 -0.706 0.000 1.044 286 F CB 0.841 39.533 39.000 -0.512 0.000 1.135 286 F HN 0.563 nan 8.300 nan 0.000 0.461 287 E N 4.050 123.509 120.200 -1.235 0.000 2.155 287 E HA 0.306 4.651 4.350 -0.009 0.000 0.264 287 E C -0.093 175.709 176.600 -1.330 0.000 0.886 287 E CA -0.762 55.036 56.400 -1.002 0.000 0.752 287 E CB 1.419 30.897 29.700 -0.370 0.000 1.133 287 E HN 0.919 nan 8.360 nan 0.000 0.414 288 G N 5.202 113.225 108.800 -1.295 0.000 3.213 288 G HA2 0.025 3.979 3.960 -0.009 0.000 0.263 288 G HA3 0.025 3.979 3.960 -0.009 0.000 0.263 288 G C -0.026 174.778 174.900 -0.161 0.000 0.829 288 G CA -0.182 44.365 45.100 -0.921 0.000 1.983 288 G HN 0.192 nan 8.290 nan 0.000 0.616 289 K N 0.611 120.971 120.400 -0.066 0.000 2.156 289 K HA 0.188 4.502 4.320 -0.009 0.000 0.271 289 K C 0.966 177.689 176.600 0.206 0.000 0.995 289 K CA -0.647 55.697 56.287 0.095 0.000 0.890 289 K CB 2.257 34.812 32.500 0.092 0.000 1.073 289 K HN 0.447 nan 8.250 nan 0.000 0.454 290 E N 1.731 122.023 120.200 0.154 0.000 2.097 290 E HA -0.225 4.120 4.350 -0.009 0.000 0.196 290 E C 1.523 178.143 176.600 0.034 0.000 1.000 290 E CA 1.135 57.581 56.400 0.077 0.000 0.804 290 E CB 0.168 29.916 29.700 0.080 0.000 0.740 290 E HN 0.396 nan 8.360 nan 0.000 0.454 291 L N 1.310 122.593 121.223 0.099 0.000 2.042 291 L HA -0.188 4.147 4.340 -0.009 0.000 0.210 291 L C 2.474 179.414 176.870 0.117 0.000 1.076 291 L CA 1.867 56.782 54.840 0.125 0.000 0.749 291 L CB -0.542 41.664 42.059 0.246 0.000 0.893 291 L HN 0.010 nan 8.230 nan 0.000 0.432 292 R N -0.664 119.840 120.500 0.007 0.000 2.081 292 R HA -0.164 4.170 4.340 -0.009 0.000 0.235 292 R C 2.117 178.432 176.300 0.025 0.000 1.131 292 R CA 1.830 57.846 56.100 -0.140 0.000 0.960 292 R CB -0.988 29.017 30.300 -0.492 0.000 0.856 292 R HN 0.408 nan 8.270 nan 0.000 0.436 293 L N 0.906 122.070 121.223 -0.098 0.000 2.046 293 L HA -0.085 4.249 4.340 -0.009 0.000 0.208 293 L C 1.708 178.501 176.870 -0.128 0.000 1.077 293 L CA 1.924 56.496 54.840 -0.447 0.000 0.747 293 L CB -0.435 41.082 42.059 -0.903 0.000 0.896 293 L HN 0.158 nan 8.230 nan 0.000 0.432 294 K N -0.989 119.382 120.400 -0.047 0.000 2.057 294 K HA -0.206 4.108 4.320 -0.009 0.000 0.207 294 K C 2.099 178.846 176.600 0.245 0.000 1.049 294 K CA 1.812 58.139 56.287 0.067 0.000 0.931 294 K CB -0.197 32.167 32.500 -0.225 0.000 0.714 294 K HN 0.509 nan 8.250 nan 0.000 0.440 295 Q N 0.649 120.560 119.800 0.184 0.000 2.050 295 Q HA -0.196 4.139 4.340 -0.009 0.000 0.202 295 Q C 1.978 178.165 176.000 0.313 0.000 0.980 295 Q CA 1.509 57.479 55.803 0.277 0.000 0.840 295 Q CB -0.034 28.886 28.738 0.303 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.424 296 E N -0.224 120.112 120.200 0.228 0.000 2.077 296 E HA -0.218 4.126 4.350 -0.009 0.000 0.193 296 E C 1.750 178.454 176.600 0.175 0.000 0.989 296 E CA 1.075 57.594 56.400 0.198 0.000 0.800 296 E CB -0.154 29.640 29.700 0.156 0.000 0.746 296 E HN 0.333 nan 8.360 nan 0.000 0.452 297 Y N 0.436 120.773 120.300 0.062 0.000 2.220 297 Y HA -0.210 4.335 4.550 -0.009 0.000 0.291 297 Y C 1.991 177.918 175.900 0.045 0.000 1.129 297 Y CA 1.071 59.168 58.100 -0.006 0.000 1.161 297 Y CB -0.396 38.032 38.460 -0.054 0.000 0.997 297 Y HN 0.010 nan 8.280 nan 0.000 0.522 298 F N -0.323 119.615 119.950 -0.021 0.000 2.091 298 F HA -0.257 4.264 4.527 -0.009 0.000 0.299 298 F C 2.475 178.120 175.800 -0.259 0.000 1.103 298 F CA 2.019 59.957 58.000 -0.104 0.000 1.228 298 F CB -1.033 38.056 39.000 0.149 0.000 0.984 298 F HN -0.046 nan 8.300 nan 0.000 0.477 299 V N -0.578 119.291 119.914 -0.075 0.000 2.427 299 V HA -0.193 3.921 4.120 -0.009 0.000 0.248 299 V C 2.184 178.116 176.094 -0.270 0.000 1.051 299 V CA 1.884 64.103 62.300 -0.134 0.000 1.048 299 V CB -0.319 31.627 31.823 0.206 0.000 0.666 299 V HN 0.253 nan 8.190 nan 0.000 0.456 300 V N 0.381 120.144 119.914 -0.252 0.000 2.307 300 V HA -0.158 3.957 4.120 -0.009 0.000 0.245 300 V C 2.784 178.608 176.094 -0.450 0.000 1.045 300 V CA 2.059 64.197 62.300 -0.270 0.000 1.024 300 V CB -0.999 30.727 31.823 -0.161 0.000 0.651 300 V HN 0.635 nan 8.190 nan 0.000 0.449 301 A N -0.135 122.244 122.820 -0.735 0.000 1.873 301 A HA -0.083 4.232 4.320 -0.009 0.000 0.215 301 A C 2.405 179.611 177.584 -0.630 0.000 1.186 301 A CA 2.040 53.641 52.037 -0.727 0.000 0.616 301 A CB -0.798 17.562 19.000 -1.067 0.000 0.823 301 A HN 0.551 nan 8.150 nan 0.000 0.442 302 A N -1.012 121.271 122.820 -0.895 0.000 1.873 302 A HA -0.068 4.247 4.320 -0.009 0.000 0.215 302 A C 2.319 179.402 177.584 -0.835 0.000 1.186 302 A CA 2.293 53.616 52.037 -1.190 0.000 0.616 302 A CB -1.302 16.329 19.000 -2.282 0.000 0.823 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.464 114.657 114.554 -0.602 0.000 2.708 303 T HA -0.106 4.238 4.350 -0.009 0.000 0.266 303 T C 1.839 176.269 174.700 -0.451 0.000 1.037 303 T CA 1.503 63.367 62.100 -0.394 0.000 1.146 303 T CB -0.403 68.237 68.868 -0.380 0.000 0.865 303 T HN 0.333 nan 8.240 nan 0.000 0.435 304 L N 0.681 121.686 121.223 -0.364 0.000 2.046 304 L HA -0.170 4.164 4.340 -0.009 0.000 0.208 304 L C 2.942 179.696 176.870 -0.193 0.000 1.077 304 L CA 1.421 56.101 54.840 -0.266 0.000 0.747 304 L CB -0.503 41.438 42.059 -0.197 0.000 0.896 304 L HN 0.345 nan 8.230 nan 0.000 0.432 305 Q N -0.626 119.059 119.800 -0.192 0.000 2.084 305 Q HA -0.260 4.074 4.340 -0.009 0.000 0.202 305 Q C 1.796 177.773 176.000 -0.040 0.000 0.978 305 Q CA 1.817 57.560 55.803 -0.099 0.000 0.844 305 Q CB -0.128 28.541 28.738 -0.116 0.000 0.898 305 Q HN 0.413 nan 8.270 nan 0.000 0.426 306 D N 0.471 120.839 120.400 -0.053 0.000 2.117 306 D HA -0.108 4.527 4.640 -0.009 0.000 0.197 306 D C 1.675 177.931 176.300 -0.073 0.000 0.987 306 D CA 0.889 54.908 54.000 0.031 0.000 0.829 306 D CB -0.044 40.879 40.800 0.205 0.000 0.961 306 D HN 0.156 nan 8.370 nan 0.000 0.460 307 I N 0.136 120.549 120.570 -0.262 0.000 2.163 307 I HA -0.257 3.908 4.170 -0.009 0.000 0.243 307 I C 2.333 178.462 176.117 0.020 0.000 1.085 307 I CA 0.793 61.884 61.300 -0.347 0.000 1.347 307 I CB -0.173 37.452 38.000 -0.627 0.000 1.044 307 I HN 0.059 nan 8.210 nan 0.000 0.408 308 I N 0.230 120.864 120.570 0.107 0.000 2.226 308 I HA -0.305 3.859 4.170 -0.009 0.000 0.245 308 I C 2.774 179.057 176.117 0.278 0.000 1.100 308 I CA 1.258 62.733 61.300 0.292 0.000 1.374 308 I CB -0.397 37.726 38.000 0.205 0.000 1.057 308 I HN 0.175 nan 8.210 nan 0.000 0.413 309 R N 1.104 121.702 120.500 0.163 0.000 2.096 309 R HA -0.236 4.099 4.340 -0.009 0.000 0.240 309 R C 2.506 178.894 176.300 0.146 0.000 1.139 309 R CA 1.818 58.006 56.100 0.146 0.000 0.952 309 R CB -0.269 30.110 30.300 0.131 0.000 0.854 309 R HN 0.198 nan 8.270 nan 0.000 0.436 310 R N -0.686 119.894 120.500 0.134 0.000 2.092 310 R HA -0.158 4.176 4.340 -0.009 0.000 0.231 310 R C 2.124 178.521 176.300 0.162 0.000 1.119 310 R CA 1.632 57.811 56.100 0.132 0.000 0.970 310 R CB -0.339 30.018 30.300 0.095 0.000 0.864 310 R HN 0.317 nan 8.270 nan 0.000 0.440 311 F N 1.364 121.351 119.950 0.061 0.000 2.186 311 F HA -0.082 4.440 4.527 -0.009 0.000 0.299 311 F C 1.637 177.445 175.800 0.013 0.000 1.090 311 F CA 1.474 59.500 58.000 0.044 0.000 1.307 311 F CB 0.082 39.155 39.000 0.122 0.000 1.019 311 F HN -0.134 nan 8.300 nan 0.000 0.489 312 K N -0.250 120.113 120.400 -0.061 0.000 2.155 312 K HA -0.005 4.310 4.320 -0.009 0.000 0.203 312 K C 1.407 177.921 176.600 -0.143 0.000 1.052 312 K CA 1.172 57.347 56.287 -0.185 0.000 0.948 312 K CB -0.225 32.277 32.500 0.003 0.000 0.728 312 K HN 0.087 nan 8.250 nan 0.000 0.448 313 S N 1.010 116.691 115.700 -0.033 0.000 2.859 313 S HA 0.062 4.527 4.470 -0.009 0.000 0.245 313 S C 0.092 174.694 174.600 0.003 0.000 1.008 313 S CA -0.234 57.983 58.200 0.029 0.000 1.089 313 S CB 0.037 63.309 63.200 0.120 0.000 0.798 313 S HN 0.129 nan 8.310 nan 0.000 0.477 326 F N 0.898 120.949 119.950 0.169 0.000 2.811 326 F HA 0.186 4.708 4.527 -0.009 0.000 0.301 326 F C 1.312 177.177 175.800 0.109 0.000 1.151 326 F CA -0.005 58.071 58.000 0.127 0.000 1.412 326 F CB 0.324 39.281 39.000 -0.072 0.000 1.113 326 F HN 0.492 nan 8.300 nan 0.000 0.579 327 D N 0.478 121.016 120.400 0.230 0.000 2.182 327 D HA -0.176 4.459 4.640 -0.009 0.000 0.201 327 D C 2.184 178.577 176.300 0.155 0.000 0.986 327 D CA 1.313 55.407 54.000 0.157 0.000 0.847 327 D CB -0.102 40.765 40.800 0.112 0.000 0.942 327 D HN 0.235 nan 8.370 nan 0.000 0.467 328 A N -0.820 122.120 122.820 0.200 0.000 2.251 328 A HA 0.092 4.406 4.320 -0.009 0.000 0.209 328 A C 1.597 179.307 177.584 0.210 0.000 1.187 328 A CA -0.240 51.915 52.037 0.197 0.000 0.823 328 A CB -0.754 18.367 19.000 0.202 0.000 0.846 328 A HN 0.218 nan 8.150 nan 0.000 0.486 329 F N 1.898 121.818 119.950 -0.050 0.000 2.065 329 F HA -0.145 4.377 4.527 -0.009 0.000 0.298 329 F C -0.766 174.931 175.800 -0.172 0.000 1.112 329 F CA 2.572 60.336 58.000 -0.394 0.000 1.212 329 F CB -0.538 38.229 39.000 -0.388 0.000 0.975 329 F HN 0.200 nan 8.300 nan 0.000 0.476 330 P HA -0.085 nan 4.420 nan 0.000 0.226 330 P C 0.648 177.905 177.300 -0.071 0.000 1.153 330 P CA 1.350 64.417 63.100 -0.056 0.000 0.777 330 P CB -0.072 31.624 31.700 -0.007 0.000 0.794 331 D N -0.759 119.621 120.400 -0.034 0.000 2.323 331 D HA -0.031 4.604 4.640 -0.009 0.000 0.209 331 D C 1.518 177.803 176.300 -0.025 0.000 0.973 331 D CA 0.920 54.912 54.000 -0.013 0.000 0.874 331 D CB 0.124 40.938 40.800 0.022 0.000 0.930 331 D HN 0.145 nan 8.370 nan 0.000 0.521 332 K N -0.053 120.309 120.400 -0.062 0.000 2.412 332 K HA 0.211 4.525 4.320 -0.009 0.000 0.202 332 K C -0.069 176.448 176.600 -0.138 0.000 1.102 332 K CA 0.095 56.357 56.287 -0.043 0.000 1.027 332 K CB 2.330 34.904 32.500 0.123 0.000 0.931 332 K HN -0.066 nan 8.250 nan 0.000 0.557 333 V N 1.169 120.911 119.914 -0.286 0.000 2.577 333 V HA 0.608 4.722 4.120 -0.009 0.000 0.303 333 V C -1.016 174.983 176.094 -0.159 0.000 1.042 333 V CA -1.264 60.861 62.300 -0.292 0.000 0.872 333 V CB 1.756 33.089 31.823 -0.816 0.000 0.998 333 V HN 0.118 nan 8.190 nan 0.000 0.423 334 A N 5.803 128.582 122.820 -0.069 0.000 2.343 334 A HA 0.925 5.240 4.320 -0.009 0.000 0.316 334 A C -0.914 176.697 177.584 0.044 0.000 1.104 334 A CA -0.504 51.529 52.037 -0.007 0.000 0.768 334 A CB 0.973 19.932 19.000 -0.068 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.830 122.469 120.570 0.115 0.000 2.355 335 I HA 0.289 4.454 4.170 -0.009 0.000 0.288 335 I C -0.262 175.947 176.117 0.152 0.000 0.999 335 I CA -0.538 60.841 61.300 0.131 0.000 1.163 335 I CB 1.883 39.939 38.000 0.094 0.000 1.316 335 I HN 0.690 nan 8.210 nan 0.000 0.454 336 Q N 6.738 126.626 119.800 0.146 0.000 2.303 336 Q HA 0.492 4.826 4.340 -0.009 0.000 0.257 336 Q C -1.266 174.725 176.000 -0.015 0.000 0.941 336 Q CA -0.242 55.666 55.803 0.176 0.000 0.931 336 Q CB 1.240 30.188 28.738 0.351 0.000 1.215 336 Q HN 0.563 nan 8.270 nan 0.000 0.437 337 L N 3.782 125.036 121.223 0.053 0.000 2.260 337 L HA 0.386 4.720 4.340 -0.009 0.000 0.289 337 L C 0.070 176.962 176.870 0.035 0.000 1.057 337 L CA -0.709 54.155 54.840 0.041 0.000 0.811 337 L CB 0.625 42.757 42.059 0.122 0.000 1.184 337 L HN 0.557 nan 8.230 nan 0.000 0.429 338 N N 4.699 123.349 118.700 -0.084 0.000 2.448 338 N HA 0.062 4.796 4.740 -0.009 0.000 0.250 338 N C -0.066 175.461 175.510 0.028 0.000 1.136 338 N CA 0.452 53.501 53.050 -0.002 0.000 0.953 338 N CB -0.040 38.368 38.487 -0.132 0.000 1.251 338 N HN 0.667 nan 8.380 nan 0.000 0.502 339 D N -0.136 120.372 120.400 0.179 0.000 4.160 339 D HA -0.241 4.394 4.640 -0.009 0.000 0.291 339 D C 0.235 176.619 176.300 0.141 0.000 2.226 339 D CA 1.620 55.703 54.000 0.138 0.000 1.157 339 D CB -0.396 40.258 40.800 -0.242 0.000 1.020 339 D HN 0.529 nan 8.370 nan 0.000 1.219 340 T N -2.526 112.048 114.554 0.034 0.000 3.129 340 T HA 0.070 4.415 4.350 -0.009 0.000 0.251 340 T C 1.571 176.336 174.700 0.108 0.000 1.117 340 T CA 1.424 63.533 62.100 0.015 0.000 1.034 340 T CB -0.482 68.372 68.868 -0.024 0.000 0.968 340 T HN 0.482 nan 8.240 nan 0.000 0.526 341 H N 2.597 121.758 119.070 0.151 0.000 2.387 341 H HA 0.003 4.554 4.556 -0.009 0.000 0.299 341 H C -0.883 174.532 175.328 0.145 0.000 1.099 341 H CA 0.944 57.094 56.048 0.170 0.000 1.315 341 H CB -0.911 28.954 29.762 0.171 0.000 1.380 341 H HN 0.444 nan 8.280 nan 0.000 0.513 342 P HA 0.089 nan 4.420 nan 0.000 0.254 342 P C 0.718 178.056 177.300 0.063 0.000 1.620 342 P CA 0.315 63.489 63.100 0.125 0.000 1.050 342 P CB 0.381 32.145 31.700 0.106 0.000 1.539 343 S N -0.171 115.559 115.700 0.049 0.000 2.440 343 S HA -0.140 4.324 4.470 -0.009 0.000 0.238 343 S C 1.743 176.337 174.600 -0.010 0.000 1.010 343 S CA 0.850 59.039 58.200 -0.018 0.000 0.972 343 S CB -1.504 61.663 63.200 -0.055 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 1.048 122.278 121.223 0.011 0.000 2.450 344 L HA 0.019 4.354 4.340 -0.009 0.000 0.224 344 L C 2.920 179.810 176.870 0.034 0.000 1.149 344 L CA 0.624 55.469 54.840 0.009 0.000 0.816 344 L CB -0.760 41.299 42.059 0.001 0.000 0.932 344 L HN 0.467 nan 8.230 nan 0.000 0.449 345 A N 0.533 123.358 122.820 0.009 0.000 1.978 345 A HA -0.205 4.110 4.320 -0.009 0.000 0.220 345 A C 2.185 179.763 177.584 -0.011 0.000 1.170 345 A CA 1.578 53.608 52.037 -0.012 0.000 0.636 345 A CB -0.486 18.501 19.000 -0.023 0.000 0.810 345 A HN 0.385 nan 8.150 nan 0.000 0.448 346 I N 0.200 120.766 120.570 -0.007 0.000 2.133 346 I HA -0.132 4.032 4.170 -0.009 0.000 0.238 346 I C -0.374 175.759 176.117 0.027 0.000 1.074 346 I CA 1.452 62.748 61.300 -0.007 0.000 1.342 346 I CB -0.905 37.092 38.000 -0.005 0.000 1.053 346 I HN 0.241 nan 8.210 nan 0.000 0.404 347 P HA -0.157 nan 4.420 nan 0.000 0.221 347 P C 1.276 178.615 177.300 0.064 0.000 1.150 347 P CA 1.417 64.555 63.100 0.064 0.000 0.800 347 P CB 0.062 31.820 31.700 0.096 0.000 0.787 348 E N 0.326 120.617 120.200 0.151 0.000 2.072 348 E HA -0.154 4.190 4.350 -0.009 0.000 0.191 348 E C 1.926 178.513 176.600 -0.022 0.000 0.985 348 E CA 0.693 57.191 56.400 0.163 0.000 0.801 348 E CB -1.217 28.609 29.700 0.210 0.000 0.750 348 E HN -0.017 nan 8.360 nan 0.000 0.452 349 L N 0.022 121.201 121.223 -0.074 0.000 2.017 349 L HA -0.132 4.203 4.340 -0.009 0.000 0.208 349 L C 2.110 178.839 176.870 -0.234 0.000 1.073 349 L CA 1.839 56.577 54.840 -0.171 0.000 0.745 349 L CB -0.635 41.326 42.059 -0.164 0.000 0.894 349 L HN 0.243 nan 8.230 nan 0.000 0.432 350 M N -0.792 118.688 119.600 -0.200 0.000 2.108 350 M HA -0.233 4.241 4.480 -0.009 0.000 0.261 350 M C 2.438 178.582 176.300 -0.260 0.000 1.066 350 M CA 1.620 56.755 55.300 -0.275 0.000 1.107 350 M CB -1.242 31.188 32.600 -0.285 0.000 1.356 350 M HN 0.345 nan 8.290 nan 0.000 0.406 351 R N 0.056 120.429 120.500 -0.212 0.000 2.080 351 R HA -0.140 4.194 4.340 -0.009 0.000 0.236 351 R C 2.075 178.270 176.300 -0.176 0.000 1.137 351 R CA 1.803 57.777 56.100 -0.211 0.000 0.943 351 R CB -0.216 29.910 30.300 -0.290 0.000 0.846 351 R HN 0.221 nan 8.270 nan 0.000 0.431 352 V N 1.445 121.253 119.914 -0.177 0.000 2.295 352 V HA -0.256 3.859 4.120 -0.009 0.000 0.246 352 V C 2.422 178.346 176.094 -0.283 0.000 1.049 352 V CA 1.736 63.921 62.300 -0.192 0.000 1.024 352 V CB -0.429 31.279 31.823 -0.193 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.604 120.392 121.223 -0.379 0.000 2.056 353 L HA -0.122 4.213 4.340 -0.009 0.000 0.207 353 L C 2.397 179.084 176.870 -0.305 0.000 1.078 353 L CA 1.129 55.681 54.840 -0.479 0.000 0.749 353 L CB -0.555 41.182 42.059 -0.538 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.666 119.113 119.914 -0.225 0.000 2.331 354 V HA -0.173 3.942 4.120 -0.009 0.000 0.242 354 V C 1.907 177.958 176.094 -0.071 0.000 1.034 354 V CA 1.632 63.861 62.300 -0.117 0.000 1.027 354 V CB -0.338 31.447 31.823 -0.065 0.000 0.667 354 V HN 0.350 nan 8.190 nan 0.000 0.457 355 D N -0.153 120.198 120.400 -0.081 0.000 2.194 355 D HA 0.029 4.663 4.640 -0.009 0.000 0.204 355 D C 2.006 178.277 176.300 -0.048 0.000 0.964 355 D CA 1.056 55.026 54.000 -0.050 0.000 0.846 355 D CB 0.171 40.939 40.800 -0.053 0.000 0.962 355 D HN 0.330 nan 8.370 nan 0.000 0.490 356 L N 0.152 121.330 121.223 -0.075 0.000 2.362 356 L HA 0.129 4.464 4.340 -0.009 0.000 0.204 356 L C 1.852 178.691 176.870 -0.053 0.000 1.060 356 L CA 0.446 55.252 54.840 -0.056 0.000 0.827 356 L CB 0.109 42.134 42.059 -0.057 0.000 1.027 356 L HN -0.200 nan 8.230 nan 0.000 0.474 357 E N 0.429 120.564 120.200 -0.108 0.000 2.447 357 E HA 0.038 4.383 4.350 -0.009 0.000 0.195 357 E C 0.103 176.669 176.600 -0.056 0.000 1.028 357 E CA -0.025 56.321 56.400 -0.091 0.000 0.876 357 E CB 0.371 29.909 29.700 -0.270 0.000 0.885 357 E HN 0.204 nan 8.360 nan 0.000 0.500 358 R N -0.261 120.201 120.500 -0.064 0.000 3.656 358 R HA -0.181 4.153 4.340 -0.009 0.000 0.297 358 R C -0.333 175.955 176.300 -0.020 0.000 1.166 358 R CA 0.235 56.321 56.100 -0.024 0.000 0.799 358 R CB -2.820 27.483 30.300 0.005 0.000 1.285 358 R HN 0.085 nan 8.270 nan 0.000 0.477 359 L N 2.318 123.502 121.223 -0.065 0.000 2.436 359 L HA 0.125 4.459 4.340 -0.009 0.000 0.265 359 L C 1.497 178.362 176.870 -0.008 0.000 1.168 359 L CA 0.329 55.141 54.840 -0.046 0.000 0.815 359 L CB 0.379 42.365 42.059 -0.121 0.000 1.109 359 L HN 0.137 nan 8.230 nan 0.000 0.462 360 D N 1.165 121.584 120.400 0.033 0.000 2.368 360 D HA -0.150 4.485 4.640 -0.009 0.000 0.240 360 D C 0.930 177.298 176.300 0.114 0.000 1.169 360 D CA -0.502 53.551 54.000 0.089 0.000 0.906 360 D CB 0.701 41.559 40.800 0.097 0.000 1.187 360 D HN 0.622 nan 8.370 nan 0.000 0.435 361 W N 2.049 123.353 121.300 0.007 0.000 2.317 361 W HA -0.236 4.418 4.660 -0.009 0.000 0.318 361 W C 1.082 177.648 176.519 0.078 0.000 1.227 361 W CA 1.949 59.305 57.345 0.019 0.000 1.269 361 W CB -0.295 29.156 29.460 -0.014 0.000 1.155 361 W HN 0.472 nan 8.180 nan 0.000 0.484 362 D N 0.209 120.810 120.400 0.335 0.000 2.178 362 D HA -0.180 4.455 4.640 -0.009 0.000 0.201 362 D C 1.872 178.277 176.300 0.175 0.000 0.980 362 D CA 1.736 55.912 54.000 0.294 0.000 0.842 362 D CB -0.337 40.610 40.800 0.245 0.000 0.948 362 D HN 0.115 nan 8.370 nan 0.000 0.472 363 K N 1.263 121.722 120.400 0.098 0.000 2.062 363 K HA 0.045 4.359 4.320 -0.009 0.000 0.205 363 K C 1.863 178.452 176.600 -0.018 0.000 1.051 363 K CA 1.299 57.615 56.287 0.049 0.000 0.941 363 K CB -0.470 32.056 32.500 0.042 0.000 0.719 363 K HN -0.027 nan 8.250 nan 0.000 0.440 364 A N 0.759 123.525 122.820 -0.091 0.000 1.908 364 A HA -0.197 4.117 4.320 -0.009 0.000 0.218 364 A C 2.244 179.727 177.584 -0.169 0.000 1.181 364 A CA 1.550 53.464 52.037 -0.204 0.000 0.627 364 A CB -1.259 17.554 19.000 -0.312 0.000 0.818 364 A HN 0.699 nan 8.150 nan 0.000 0.445 365 W N 0.638 121.715 121.300 -0.372 0.000 2.358 365 W HA -0.190 4.465 4.660 -0.009 0.000 0.303 365 W C 2.017 178.473 176.519 -0.105 0.000 1.208 365 W CA 1.905 59.083 57.345 -0.277 0.000 1.274 365 W CB -0.143 29.187 29.460 -0.217 0.000 1.138 365 W HN 0.623 nan 8.180 nan 0.000 0.515 366 E N 0.079 120.260 120.200 -0.031 0.000 2.058 366 E HA -0.232 4.113 4.350 -0.009 0.000 0.194 366 E C 2.040 178.559 176.600 -0.135 0.000 0.997 366 E CA 1.997 58.347 56.400 -0.084 0.000 0.801 366 E CB -0.330 29.383 29.700 0.021 0.000 0.746 366 E HN 0.062 nan 8.360 nan 0.000 0.450 367 V N 0.720 120.571 119.914 -0.105 0.000 2.295 367 V HA -0.263 3.852 4.120 -0.009 0.000 0.246 367 V C 2.402 178.430 176.094 -0.110 0.000 1.049 367 V CA 2.199 64.457 62.300 -0.069 0.000 1.024 367 V CB -0.790 30.989 31.823 -0.072 0.000 0.648 367 V HN 0.392 nan 8.190 nan 0.000 0.447 368 T N 0.060 114.475 114.554 -0.231 0.000 2.652 368 T HA -0.185 4.159 4.350 -0.009 0.000 0.267 368 T C 1.950 176.468 174.700 -0.304 0.000 1.039 368 T CA 1.809 63.746 62.100 -0.272 0.000 1.153 368 T CB -0.312 68.341 68.868 -0.358 0.000 0.863 368 T HN 0.272 nan 8.240 nan 0.000 0.428 369 V N 1.516 121.131 119.914 -0.499 0.000 2.295 369 V HA -0.186 3.928 4.120 -0.009 0.000 0.246 369 V C 2.381 178.428 176.094 -0.078 0.000 1.049 369 V CA 1.656 63.724 62.300 -0.387 0.000 1.024 369 V CB -0.509 31.001 31.823 -0.522 0.000 0.648 369 V HN 0.481 nan 8.190 nan 0.000 0.447 370 K N -0.468 119.869 120.400 -0.105 0.000 2.283 370 K HA -0.105 4.210 4.320 -0.009 0.000 0.202 370 K C 2.088 178.656 176.600 -0.053 0.000 1.048 370 K CA 1.593 57.803 56.287 -0.130 0.000 0.948 370 K CB -0.237 32.188 32.500 -0.126 0.000 0.742 370 K HN 0.480 nan 8.250 nan 0.000 0.458 371 T N 0.248 114.829 114.554 0.046 0.000 2.976 371 T HA 0.013 4.358 4.350 -0.009 0.000 0.257 371 T C 0.929 175.734 174.700 0.176 0.000 1.051 371 T CA 0.419 62.581 62.100 0.104 0.000 1.141 371 T CB 0.105 69.067 68.868 0.158 0.000 0.881 371 T HN 0.169 nan 8.240 nan 0.000 0.461 372 C N 2.416 121.804 119.300 0.147 0.000 2.365 372 C HA 0.884 5.339 4.460 -0.009 0.000 0.351 372 C C 0.606 175.647 174.990 0.084 0.000 1.240 372 C CA -1.267 57.814 59.018 0.105 0.000 2.062 372 C CB 0.070 27.811 27.740 0.003 0.000 2.387 372 C HN 0.590 nan 8.230 nan 0.000 0.537 373 A N 2.233 125.097 122.820 0.074 0.000 2.498 373 A HA 0.805 5.120 4.320 -0.009 0.000 0.298 373 A C -1.567 176.082 177.584 0.108 0.000 1.075 373 A CA -0.444 51.581 52.037 -0.019 0.000 0.714 373 A CB 1.124 20.105 19.000 -0.032 0.000 1.299 373 A HN 0.950 nan 8.150 nan 0.000 0.407 374 Y N 0.856 121.096 120.300 -0.099 0.000 2.391 374 Y HA 0.622 5.167 4.550 -0.009 0.000 0.341 374 Y C -0.618 175.251 175.900 -0.052 0.000 0.965 374 Y CA -0.322 57.730 58.100 -0.079 0.000 1.067 374 Y CB 2.075 40.445 38.460 -0.150 0.000 1.199 374 Y HN 0.577 nan 8.280 nan 0.000 0.450 375 T N 6.519 120.855 114.554 -0.364 0.000 2.770 375 T HA 0.197 4.541 4.350 -0.009 0.000 0.283 375 T C -0.796 173.438 174.700 -0.778 0.000 0.988 375 T CA -0.794 61.025 62.100 -0.469 0.000 0.957 375 T CB 0.504 69.329 68.868 -0.071 0.000 0.930 375 T HN 0.653 nan 8.240 nan 0.000 0.443 376 N N 1.750 119.986 118.700 -0.773 0.000 2.473 376 N HA 0.138 4.873 4.740 -0.009 0.000 0.291 376 N C -0.021 175.340 175.510 -0.247 0.000 1.083 376 N CA -0.343 52.482 53.050 -0.376 0.000 0.951 376 N CB 0.800 39.237 38.487 -0.082 0.000 1.164 376 N HN 0.673 nan 8.380 nan 0.000 0.480 377 H N 0.928 120.027 119.070 0.047 0.000 3.058 377 H HA 0.175 4.725 4.556 -0.009 0.000 0.266 377 H C -0.231 175.028 175.328 -0.114 0.000 1.135 377 H CA -0.057 55.969 56.048 -0.036 0.000 1.174 377 H CB 1.114 30.861 29.762 -0.023 0.000 1.581 377 H HN 0.525 nan 8.280 nan 0.000 0.553 378 T N 0.255 114.848 114.554 0.065 0.000 2.830 378 T HA 0.235 4.580 4.350 -0.009 0.000 0.322 378 T C 0.372 175.106 174.700 0.058 0.000 1.501 378 T CA -0.329 61.764 62.100 -0.011 0.000 1.036 378 T CB 1.366 70.222 68.868 -0.019 0.000 1.379 378 T HN -0.035 nan 8.240 nan 0.000 0.493 379 V N 1.520 121.426 119.914 -0.013 0.000 3.556 379 V HA 0.563 4.677 4.120 -0.009 0.000 0.287 379 V C 0.596 176.661 176.094 -0.050 0.000 1.422 379 V CA -0.006 62.274 62.300 -0.033 0.000 1.038 379 V CB -0.359 31.443 31.823 -0.034 0.000 0.850 379 V HN 0.692 nan 8.190 nan 0.000 0.437 380 L N 3.146 124.334 121.223 -0.058 0.000 2.477 380 L HA 0.236 4.571 4.340 -0.009 0.000 0.272 380 L C -0.644 176.238 176.870 0.019 0.000 1.157 380 L CA -1.030 53.802 54.840 -0.014 0.000 0.889 380 L CB 0.844 42.891 42.059 -0.021 0.000 1.158 380 L HN 0.132 nan 8.230 nan 0.000 0.473 381 P HA -0.195 nan 4.420 nan 0.000 0.218 381 P C 0.959 178.280 177.300 0.035 0.000 1.149 381 P CA 1.128 64.239 63.100 0.018 0.000 0.817 381 P CB 0.071 31.782 31.700 0.019 0.000 0.785 382 E N 0.443 120.699 120.200 0.093 0.000 2.418 382 E HA -0.053 4.292 4.350 -0.009 0.000 0.197 382 E C 1.586 178.244 176.600 0.098 0.000 1.026 382 E CA 1.020 57.502 56.400 0.136 0.000 0.862 382 E CB -0.746 29.133 29.700 0.297 0.000 0.799 382 E HN 0.191 nan 8.360 nan 0.000 0.518 383 A N 1.246 124.123 122.820 0.095 0.000 2.195 383 A HA 0.225 4.540 4.320 -0.009 0.000 0.210 383 A C 1.365 178.956 177.584 0.013 0.000 1.165 383 A CA -0.268 51.825 52.037 0.093 0.000 0.806 383 A CB -0.069 18.999 19.000 0.113 0.000 0.847 383 A HN 0.155 nan 8.150 nan 0.000 0.482 384 L N 1.448 122.633 121.223 -0.063 0.000 2.416 384 L HA 0.131 4.466 4.340 -0.009 0.000 0.272 384 L C -0.076 176.477 176.870 -0.529 0.000 1.161 384 L CA -0.129 54.608 54.840 -0.171 0.000 0.845 384 L CB 0.609 42.598 42.059 -0.116 0.000 1.119 384 L HN 0.353 nan 8.230 nan 0.000 0.464 385 E N 4.242 124.044 120.200 -0.662 0.000 2.180 385 E HA 0.210 4.554 4.350 -0.009 0.000 0.283 385 E C -0.644 175.310 176.600 -1.078 0.000 1.061 385 E CA -0.182 55.365 56.400 -1.422 0.000 0.861 385 E CB 0.693 29.932 29.700 -0.769 0.000 1.056 385 E HN 0.402 nan 8.360 nan 0.000 0.407 386 R N 3.820 123.518 120.500 -1.336 0.000 2.407 386 R HA 0.201 4.536 4.340 -0.009 0.000 0.298 386 R C -1.198 174.903 176.300 -0.331 0.000 1.166 386 R CA -0.587 55.185 56.100 -0.547 0.000 1.006 386 R CB 0.828 30.950 30.300 -0.296 0.000 1.145 386 R HN 0.440 nan 8.270 nan 0.000 0.538 387 W N 4.385 125.631 121.300 -0.089 0.000 2.311 387 W HA 0.264 4.918 4.660 -0.009 0.000 0.310 387 W C -1.909 174.592 176.519 -0.029 0.000 1.274 387 W CA -2.074 55.288 57.345 0.029 0.000 1.215 387 W CB 0.714 30.167 29.460 -0.012 0.000 1.227 387 W HN 0.255 nan 8.180 nan 0.000 0.523 388 P HA -0.094 nan 4.420 nan 0.000 0.265 388 P C 0.789 178.049 177.300 -0.068 0.000 1.193 388 P CA 0.204 63.301 63.100 -0.005 0.000 0.765 388 P CB 0.761 32.315 31.700 -0.243 0.000 0.823 389 V N 3.162 123.082 119.914 0.010 0.000 2.392 389 V HA -0.284 3.830 4.120 -0.009 0.000 0.249 389 V C 2.134 178.240 176.094 0.019 0.000 1.059 389 V CA 2.526 64.847 62.300 0.035 0.000 1.051 389 V CB -1.724 30.178 31.823 0.132 0.000 0.658 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -0.978 118.151 119.070 0.099 0.000 2.421 390 H HA -0.103 4.448 4.556 -0.009 0.000 0.298 390 H C 2.037 177.415 175.328 0.084 0.000 1.087 390 H CA 1.689 57.791 56.048 0.089 0.000 1.330 390 H CB -0.591 29.224 29.762 0.088 0.000 1.388 390 H HN 0.350 nan 8.280 nan 0.000 0.526 391 L N -0.043 121.010 121.223 -0.282 0.000 2.027 391 L HA -0.108 4.226 4.340 -0.009 0.000 0.206 391 L C 2.400 179.220 176.870 -0.082 0.000 1.074 391 L CA 1.134 55.911 54.840 -0.105 0.000 0.745 391 L CB -0.282 41.711 42.059 -0.109 0.000 0.898 391 L HN 0.318 nan 8.230 nan 0.000 0.433 392 L N -0.584 120.568 121.223 -0.118 0.000 2.093 392 L HA -0.227 4.108 4.340 -0.009 0.000 0.208 392 L C 2.476 179.284 176.870 -0.103 0.000 1.085 392 L CA 1.086 55.831 54.840 -0.158 0.000 0.755 392 L CB -0.393 41.560 42.059 -0.176 0.000 0.904 392 L HN 0.291 nan 8.230 nan 0.000 0.435 393 E N -0.473 119.709 120.200 -0.030 0.000 2.085 393 E HA -0.212 4.132 4.350 -0.009 0.000 0.194 393 E C 1.925 178.563 176.600 0.063 0.000 0.994 393 E CA 1.886 58.300 56.400 0.024 0.000 0.801 393 E CB 0.141 29.894 29.700 0.088 0.000 0.743 393 E HN 0.431 nan 8.360 nan 0.000 0.453 394 T N 0.541 115.154 114.554 0.099 0.000 2.852 394 T HA -0.067 4.277 4.350 -0.009 0.000 0.256 394 T C 1.699 176.509 174.700 0.184 0.000 1.038 394 T CA 0.675 62.886 62.100 0.185 0.000 1.141 394 T CB -0.097 68.913 68.868 0.237 0.000 0.869 394 T HN 0.066 nan 8.240 nan 0.000 0.439 395 L N -0.001 121.227 121.223 0.007 0.000 2.127 395 L HA 0.369 4.704 4.340 -0.009 0.000 0.203 395 L C 0.421 177.229 176.870 -0.103 0.000 1.080 395 L CA 1.554 56.278 54.840 -0.194 0.000 0.768 395 L CB 0.054 41.959 42.059 -0.257 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.741 121.869 121.223 -0.158 0.000 2.625 396 L HA 0.293 4.627 4.340 -0.009 0.000 0.255 396 L C -1.698 174.997 176.870 -0.293 0.000 1.493 396 L CA -0.922 53.742 54.840 -0.292 0.000 0.796 396 L CB 0.844 42.591 42.059 -0.519 0.000 1.064 396 L HN -0.048 nan 8.230 nan 0.000 0.516 397 P HA -0.200 nan 4.420 nan 0.000 0.216 397 P C 1.471 178.575 177.300 -0.327 0.000 1.150 397 P CA 1.207 64.186 63.100 -0.201 0.000 0.837 397 P CB 0.354 32.010 31.700 -0.072 0.000 0.786 398 R N -0.336 119.785 120.500 -0.633 0.000 2.090 398 R HA -0.123 4.212 4.340 -0.009 0.000 0.228 398 R C 2.324 178.298 176.300 -0.543 0.000 1.110 398 R CA 1.476 57.200 56.100 -0.627 0.000 0.973 398 R CB -1.315 28.441 30.300 -0.907 0.000 0.869 398 R HN 0.211 nan 8.270 nan 0.000 0.440 399 H N -0.089 118.662 119.070 -0.531 0.000 2.387 399 H HA -0.071 4.479 4.556 -0.009 0.000 0.299 399 H C 1.830 176.976 175.328 -0.304 0.000 1.090 399 H CA 1.705 57.525 56.048 -0.379 0.000 1.332 399 H CB -0.141 29.364 29.762 -0.428 0.000 1.386 399 H HN 0.097 nan 8.280 nan 0.000 0.516 400 L N 0.541 121.629 121.223 -0.226 0.000 2.042 400 L HA -0.273 4.062 4.340 -0.009 0.000 0.210 400 L C 1.962 178.604 176.870 -0.380 0.000 1.076 400 L CA 1.649 56.280 54.840 -0.349 0.000 0.749 400 L CB -0.301 41.569 42.059 -0.316 0.000 0.893 400 L HN 0.452 nan 8.230 nan 0.000 0.432 401 Q N -0.370 119.325 119.800 -0.176 0.000 2.084 401 Q HA -0.236 4.098 4.340 -0.009 0.000 0.202 401 Q C 2.172 178.179 176.000 0.012 0.000 0.978 401 Q CA 1.655 57.453 55.803 -0.009 0.000 0.844 401 Q CB -0.101 28.645 28.738 0.013 0.000 0.898 401 Q HN 0.558 nan 8.270 nan 0.000 0.426 402 I N 0.356 120.910 120.570 -0.026 0.000 2.315 402 I HA -0.271 3.893 4.170 -0.009 0.000 0.248 402 I C 2.118 178.303 176.117 0.114 0.000 1.117 402 I CA 1.012 62.377 61.300 0.107 0.000 1.404 402 I CB -0.117 37.903 38.000 0.033 0.000 1.071 402 I HN 0.196 nan 8.210 nan 0.000 0.419 403 I N -0.521 120.037 120.570 -0.020 0.000 2.226 403 I HA -0.317 3.847 4.170 -0.009 0.000 0.245 403 I C 2.375 178.509 176.117 0.029 0.000 1.100 403 I CA 1.389 62.669 61.300 -0.033 0.000 1.374 403 I CB -0.377 37.538 38.000 -0.143 0.000 1.057 403 I HN 0.159 nan 8.210 nan 0.000 0.413 404 Y N 0.847 121.152 120.300 0.009 0.000 2.181 404 Y HA -0.277 4.268 4.550 -0.009 0.000 0.288 404 Y C 2.608 178.477 175.900 -0.052 0.000 1.146 404 Y CA 1.563 59.655 58.100 -0.013 0.000 1.164 404 Y CB -0.806 37.639 38.460 -0.024 0.000 0.982 404 Y HN 0.201 nan 8.280 nan 0.000 0.515 405 E N 0.365 120.609 120.200 0.074 0.000 2.106 405 E HA -0.134 4.210 4.350 -0.009 0.000 0.192 405 E C 2.053 178.568 176.600 -0.142 0.000 0.984 405 E CA 1.191 57.496 56.400 -0.159 0.000 0.806 405 E CB -0.529 28.925 29.700 -0.410 0.000 0.750 405 E HN 0.475 nan 8.360 nan 0.000 0.458 406 I N 0.655 121.247 120.570 0.038 0.000 2.179 406 I HA -0.288 3.876 4.170 -0.009 0.000 0.242 406 I C 2.287 178.411 176.117 0.012 0.000 1.088 406 I CA 1.406 62.690 61.300 -0.028 0.000 1.357 406 I CB -0.431 37.556 38.000 -0.022 0.000 1.051 406 I HN 0.210 nan 8.210 nan 0.000 0.409 407 N N 0.772 119.523 118.700 0.086 0.000 2.069 407 N HA -0.278 4.456 4.740 -0.009 0.000 0.191 407 N C 1.869 177.463 175.510 0.141 0.000 1.031 407 N CA 1.619 54.768 53.050 0.164 0.000 0.852 407 N CB -0.176 38.423 38.487 0.187 0.000 1.018 407 N HN 0.344 nan 8.380 nan 0.000 0.423 408 Q N 0.021 119.850 119.800 0.048 0.000 2.061 408 Q HA -0.140 4.194 4.340 -0.009 0.000 0.204 408 Q C 2.031 178.016 176.000 -0.026 0.000 0.984 408 Q CA 1.425 57.221 55.803 -0.012 0.000 0.846 408 Q CB -0.022 28.669 28.738 -0.078 0.000 0.902 408 Q HN 0.361 nan 8.270 nan 0.000 0.421 409 R N -0.707 119.756 120.500 -0.061 0.000 2.092 409 R HA -0.112 4.223 4.340 -0.009 0.000 0.231 409 R C 2.164 178.492 176.300 0.045 0.000 1.119 409 R CA 1.345 57.407 56.100 -0.063 0.000 0.970 409 R CB -0.352 29.855 30.300 -0.154 0.000 0.864 409 R HN 0.282 nan 8.270 nan 0.000 0.440 410 F N 1.388 121.313 119.950 -0.041 0.000 2.113 410 F HA -0.114 4.408 4.527 -0.009 0.000 0.297 410 F C 1.825 177.647 175.800 0.036 0.000 1.103 410 F CA 1.379 59.401 58.000 0.037 0.000 1.248 410 F CB -0.193 38.859 39.000 0.088 0.000 0.999 410 F HN -0.107 nan 8.300 nan 0.000 0.475 411 L N -0.003 121.240 121.223 0.033 0.000 2.131 411 L HA -0.243 4.091 4.340 -0.009 0.000 0.210 411 L C 1.993 178.802 176.870 -0.102 0.000 1.092 411 L CA 1.586 56.382 54.840 -0.074 0.000 0.759 411 L CB -0.914 41.161 42.059 0.026 0.000 0.903 411 L HN 0.268 nan 8.230 nan 0.000 0.435 412 N N -0.184 118.474 118.700 -0.069 0.000 2.166 412 N HA -0.179 4.555 4.740 -0.009 0.000 0.186 412 N C 1.928 177.388 175.510 -0.083 0.000 1.019 412 N CA 0.833 53.843 53.050 -0.067 0.000 0.856 412 N CB -0.013 38.441 38.487 -0.055 0.000 0.993 412 N HN 0.271 nan 8.380 nan 0.000 0.426 413 R N 0.514 120.946 120.500 -0.113 0.000 2.081 413 R HA -0.053 4.281 4.340 -0.009 0.000 0.235 413 R C 2.164 178.374 176.300 -0.151 0.000 1.131 413 R CA 0.868 56.896 56.100 -0.120 0.000 0.960 413 R CB -0.233 29.998 30.300 -0.115 0.000 0.856 413 R HN 0.081 nan 8.270 nan 0.000 0.436 414 V N 0.734 120.505 119.914 -0.239 0.000 2.307 414 V HA -0.220 3.894 4.120 -0.009 0.000 0.245 414 V C 2.385 178.484 176.094 0.008 0.000 1.045 414 V CA 1.941 64.163 62.300 -0.130 0.000 1.024 414 V CB -0.702 30.962 31.823 -0.265 0.000 0.651 414 V HN 0.408 nan 8.190 nan 0.000 0.449 415 A N 0.006 122.800 122.820 -0.043 0.000 1.972 415 A HA -0.109 4.206 4.320 -0.009 0.000 0.219 415 A C 2.368 179.938 177.584 -0.024 0.000 1.169 415 A CA 2.086 54.113 52.037 -0.016 0.000 0.635 415 A CB -0.646 18.334 19.000 -0.033 0.000 0.810 415 A HN 0.578 nan 8.150 nan 0.000 0.446 416 A N -0.604 122.185 122.820 -0.053 0.000 1.968 416 A HA 0.322 4.637 4.320 -0.009 0.000 0.217 416 A C 2.361 179.872 177.584 -0.122 0.000 1.169 416 A CA 1.639 53.633 52.037 -0.071 0.000 0.638 416 A CB -0.648 18.312 19.000 -0.066 0.000 0.812 416 A HN 0.956 nan 8.150 nan 0.000 0.446 417 A N -1.778 120.941 122.820 -0.169 0.000 2.021 417 A HA 0.392 4.707 4.320 -0.009 0.000 0.216 417 A C 0.442 177.620 177.584 -0.676 0.000 1.163 417 A CA 0.490 52.273 52.037 -0.423 0.000 0.676 417 A CB -0.148 18.560 19.000 -0.486 0.000 0.818 417 A HN 0.409 nan 8.150 nan 0.000 0.453 418 F N 0.100 120.003 119.950 -0.078 0.000 2.584 418 F HA 0.331 4.852 4.527 -0.009 0.000 0.328 418 F C -2.773 172.991 175.800 -0.060 0.000 1.407 418 F CA -2.718 55.240 58.000 -0.069 0.000 1.145 418 F CB 0.890 39.841 39.000 -0.082 0.000 1.440 418 F HN -0.058 nan 8.300 nan 0.000 0.580 419 P HA 0.225 nan 4.420 nan 0.000 0.267 419 P C 0.996 178.316 177.300 0.033 0.000 1.205 419 P CA 0.885 63.997 63.100 0.020 0.000 0.765 419 P CB 0.969 32.661 31.700 -0.013 0.000 0.828 420 G N 2.530 111.344 108.800 0.022 0.000 2.199 420 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.254 420 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.254 420 G C 0.305 175.215 174.900 0.017 0.000 0.982 420 G CA -0.010 45.099 45.100 0.015 0.000 0.632 420 G HN 0.602 nan 8.290 nan 0.000 0.529 421 D N 1.544 121.963 120.400 0.031 0.000 2.551 421 D HA 0.377 5.011 4.640 -0.009 0.000 0.223 421 D C 2.126 178.416 176.300 -0.017 0.000 1.144 421 D CA 0.416 54.420 54.000 0.008 0.000 1.025 421 D CB 0.378 41.184 40.800 0.010 0.000 1.085 421 D HN 0.611 nan 8.370 nan 0.000 0.506 422 V N 0.689 120.595 119.914 -0.013 0.000 2.515 422 V HA -0.156 3.958 4.120 -0.009 0.000 0.250 422 V C 1.770 177.852 176.094 -0.021 0.000 1.058 422 V CA 1.607 63.899 62.300 -0.014 0.000 1.064 422 V CB -0.476 31.342 31.823 -0.008 0.000 0.675 422 V HN 0.215 nan 8.190 nan 0.000 0.461 423 D N 0.214 120.598 120.400 -0.026 0.000 2.183 423 D HA -0.141 4.493 4.640 -0.009 0.000 0.203 423 D C 2.324 178.595 176.300 -0.048 0.000 0.969 423 D CA 1.119 55.103 54.000 -0.026 0.000 0.842 423 D CB -0.179 40.608 40.800 -0.022 0.000 0.957 423 D HN 0.441 nan 8.370 nan 0.000 0.484 424 R N -0.077 120.370 120.500 -0.089 0.000 2.081 424 R HA -0.109 4.225 4.340 -0.009 0.000 0.235 424 R C 2.227 178.454 176.300 -0.122 0.000 1.131 424 R CA 0.964 56.971 56.100 -0.155 0.000 0.960 424 R CB -0.277 29.865 30.300 -0.263 0.000 0.856 424 R HN 0.253 nan 8.270 nan 0.000 0.436 425 L N 0.564 121.740 121.223 -0.078 0.000 2.013 425 L HA -0.240 4.094 4.340 -0.009 0.000 0.212 425 L C 2.707 179.578 176.870 0.002 0.000 1.073 425 L CA 2.056 56.870 54.840 -0.044 0.000 0.753 425 L CB -0.511 41.533 42.059 -0.025 0.000 0.890 425 L HN 0.320 nan 8.230 nan 0.000 0.432 426 R N -0.090 120.418 120.500 0.012 0.000 2.115 426 R HA -0.078 4.257 4.340 -0.009 0.000 0.226 426 R C 2.190 178.539 176.300 0.082 0.000 1.100 426 R CA 0.820 56.950 56.100 0.049 0.000 0.980 426 R CB -0.511 29.813 30.300 0.040 0.000 0.875 426 R HN 0.179 nan 8.270 nan 0.000 0.445 427 R N 0.273 120.804 120.500 0.051 0.000 2.096 427 R HA 0.052 4.387 4.340 -0.009 0.000 0.235 427 R C 2.025 178.408 176.300 0.138 0.000 1.127 427 R CA 1.909 58.063 56.100 0.091 0.000 0.968 427 R CB -0.228 30.085 30.300 0.022 0.000 0.861 427 R HN 0.337 nan 8.270 nan 0.000 0.440 428 M N 0.050 119.659 119.600 0.014 0.000 2.509 428 M HA 0.042 4.517 4.480 -0.009 0.000 0.250 428 M C 0.841 177.288 176.300 0.244 0.000 1.132 428 M CA -0.026 55.231 55.300 -0.071 0.000 1.080 428 M CB 0.474 32.875 32.600 -0.332 0.000 1.408 428 M HN -0.078 nan 8.290 nan 0.000 0.484 429 S N 1.076 116.931 115.700 0.258 0.000 2.558 429 S HA 0.048 4.513 4.470 -0.009 0.000 0.291 429 S C 1.180 176.030 174.600 0.416 0.000 1.306 429 S CA -0.234 58.145 58.200 0.297 0.000 1.056 429 S CB 0.565 63.886 63.200 0.201 0.000 0.836 429 S HN 0.362 nan 8.310 nan 0.000 0.504 430 L N 4.041 125.463 121.223 0.332 0.000 2.217 430 L HA 0.077 4.411 4.340 -0.009 0.000 0.211 430 L C 0.393 177.372 176.870 0.182 0.000 1.107 430 L CA 0.414 55.409 54.840 0.259 0.000 0.783 430 L CB -0.445 41.710 42.059 0.161 0.000 0.919 430 L HN 0.412 nan 8.230 nan 0.000 0.442 431 V N 0.906 120.937 119.914 0.196 0.000 2.383 431 V HA 0.151 4.266 4.120 -0.009 0.000 0.275 431 V C 0.218 176.399 176.094 0.144 0.000 1.036 431 V CA -0.525 61.878 62.300 0.172 0.000 0.889 431 V CB 1.478 33.431 31.823 0.217 0.000 0.985 431 V HN 0.165 nan 8.190 nan 0.000 0.459 432 E N 3.252 123.518 120.200 0.110 0.000 2.174 432 E HA 0.352 4.697 4.350 -0.009 0.000 0.282 432 E C -0.557 176.094 176.600 0.085 0.000 0.992 432 E CA -0.538 55.916 56.400 0.090 0.000 0.803 432 E CB 1.255 30.987 29.700 0.053 0.000 1.090 432 E HN 0.724 nan 8.360 nan 0.000 0.396 433 E N 1.887 122.133 120.200 0.078 0.000 2.314 433 E HA 0.654 4.998 4.350 -0.009 0.000 0.262 433 E C -0.091 176.544 176.600 0.059 0.000 1.093 433 E CA 0.534 56.974 56.400 0.067 0.000 0.908 433 E CB 1.542 31.276 29.700 0.056 0.000 1.091 433 E HN 0.700 nan 8.360 nan 0.000 0.425 434 G N 0.192 109.026 108.800 0.056 0.000 2.332 434 G HA2 0.258 4.213 3.960 -0.009 0.000 0.265 434 G HA3 0.258 4.213 3.960 -0.009 0.000 0.265 434 G C 0.414 175.346 174.900 0.053 0.000 1.329 434 G CA 0.222 45.352 45.100 0.050 0.000 0.949 434 G HN 0.655 nan 8.290 nan 0.000 0.476 435 A N -0.801 122.049 122.820 0.050 0.000 1.863 435 A HA 0.250 4.564 4.320 -0.009 0.000 0.218 435 A C 1.727 179.352 177.584 0.068 0.000 1.233 435 A CA 3.959 56.026 52.037 0.052 0.000 0.655 435 A CB -1.402 17.627 19.000 0.048 0.000 0.839 435 A HN 2.315 nan 8.150 nan 0.000 0.454 436 V N -2.805 117.161 119.914 0.086 0.000 2.398 436 V HA 0.494 4.609 4.120 -0.009 0.000 0.286 436 V C -0.351 175.814 176.094 0.118 0.000 1.026 436 V CA -1.388 60.987 62.300 0.125 0.000 0.868 436 V CB 1.276 33.204 31.823 0.174 0.000 0.982 436 V HN 0.345 nan 8.190 nan 0.000 0.443 437 K N 4.318 124.795 120.400 0.129 0.000 2.448 437 K HA 0.404 4.718 4.320 -0.009 0.000 0.278 437 K C -0.290 176.380 176.600 0.117 0.000 1.009 437 K CA 0.036 56.396 56.287 0.121 0.000 0.995 437 K CB 0.755 33.338 32.500 0.139 0.000 0.917 437 K HN 0.735 nan 8.250 nan 0.000 0.481 438 R N 1.651 122.207 120.500 0.095 0.000 2.837 438 R HA 0.468 4.803 4.340 -0.009 0.000 0.271 438 R C -0.542 175.797 176.300 0.065 0.000 0.993 438 R CA -1.009 55.135 56.100 0.074 0.000 0.931 438 R CB 1.329 31.653 30.300 0.040 0.000 1.206 438 R HN 0.373 nan 8.270 nan 0.000 0.474 439 I N 2.036 122.640 120.570 0.057 0.000 2.321 439 I HA 0.147 4.311 4.170 -0.009 0.000 0.291 439 I C -0.100 176.001 176.117 -0.027 0.000 0.998 439 I CA -0.692 60.629 61.300 0.035 0.000 1.227 439 I CB 0.967 38.989 38.000 0.036 0.000 1.368 439 I HN 0.502 nan 8.210 nan 0.000 0.466 440 N N 7.171 125.824 118.700 -0.078 0.000 2.402 440 N HA 0.093 4.827 4.740 -0.009 0.000 0.252 440 N C 0.787 176.191 175.510 -0.176 0.000 1.118 440 N CA -0.297 52.623 53.050 -0.216 0.000 0.945 440 N CB 0.974 39.187 38.487 -0.457 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.398 121.899 119.600 -0.166 0.000 2.319 441 M HA -0.027 4.448 4.480 -0.009 0.000 0.265 441 M C 1.875 178.035 176.300 -0.234 0.000 1.068 441 M CA 0.572 55.795 55.300 -0.129 0.000 1.118 441 M CB -1.437 31.135 32.600 -0.047 0.000 1.395 441 M HN 0.600 nan 8.290 nan 0.000 0.435 442 A N -0.473 122.204 122.820 -0.240 0.000 1.930 442 A HA -0.157 4.158 4.320 -0.009 0.000 0.217 442 A C 1.961 179.320 177.584 -0.376 0.000 1.175 442 A CA 1.335 53.189 52.037 -0.305 0.000 0.627 442 A CB -1.075 17.938 19.000 0.021 0.000 0.815 442 A HN 0.585 nan 8.150 nan 0.000 0.443 443 H N -1.031 117.825 119.070 -0.357 0.000 2.389 443 H HA -0.016 4.534 4.556 -0.009 0.000 0.299 443 H C 2.102 177.215 175.328 -0.359 0.000 1.081 443 H CA 0.905 56.712 56.048 -0.402 0.000 1.345 443 H CB -0.038 29.707 29.762 -0.028 0.000 1.393 443 H HN 0.364 nan 8.280 nan 0.000 0.520 444 L N 0.389 121.530 121.223 -0.138 0.000 2.046 444 L HA -0.220 4.115 4.340 -0.009 0.000 0.208 444 L C 2.229 178.960 176.870 -0.232 0.000 1.077 444 L CA 1.257 56.012 54.840 -0.142 0.000 0.747 444 L CB -0.388 41.614 42.059 -0.095 0.000 0.896 444 L HN 0.446 nan 8.230 nan 0.000 0.432 445 C N 0.030 119.084 119.300 -0.409 0.000 2.429 445 C HA -0.166 4.288 4.460 -0.009 0.000 0.277 445 C C 2.661 177.379 174.990 -0.454 0.000 1.262 445 C CA 0.590 59.272 59.018 -0.560 0.000 1.733 445 C CB -0.726 26.267 27.740 -1.244 0.000 2.010 445 C HN 0.509 nan 8.230 nan 0.000 0.483 446 I N 1.531 121.792 120.570 -0.514 0.000 2.179 446 I HA -0.210 3.954 4.170 -0.009 0.000 0.242 446 I C 2.771 178.749 176.117 -0.232 0.000 1.088 446 I CA 1.714 62.770 61.300 -0.405 0.000 1.357 446 I CB -0.626 36.998 38.000 -0.626 0.000 1.051 446 I HN 0.264 nan 8.210 nan 0.000 0.409 447 A N 0.572 123.227 122.820 -0.275 0.000 1.940 447 A HA -0.129 4.185 4.320 -0.009 0.000 0.219 447 A C 2.204 179.839 177.584 0.086 0.000 1.176 447 A CA 2.001 53.913 52.037 -0.207 0.000 0.631 447 A CB -1.185 17.494 19.000 -0.535 0.000 0.814 447 A HN 0.501 nan 8.150 nan 0.000 0.446 448 G N -1.378 107.409 108.800 -0.021 0.000 3.337 448 G HA2 0.428 4.382 3.960 -0.009 0.000 0.246 448 G HA3 0.428 4.382 3.960 -0.009 0.000 0.246 448 G C 0.059 174.805 174.900 -0.257 0.000 1.131 448 G CA 0.468 45.455 45.100 -0.188 0.000 0.773 448 G HN 0.332 nan 8.290 nan 0.000 0.544 449 S N -0.283 115.316 115.700 -0.169 0.000 2.536 449 S HA 0.317 4.781 4.470 -0.009 0.000 0.298 449 S C 0.782 175.328 174.600 -0.091 0.000 1.083 449 S CA -0.708 57.414 58.200 -0.129 0.000 0.995 449 S CB 1.279 64.404 63.200 -0.125 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N 0.119 119.148 119.070 -0.067 0.000 2.548 450 H HA 0.453 5.003 4.556 -0.009 0.000 0.268 450 H C 0.156 175.467 175.328 -0.028 0.000 0.975 450 H CA 0.356 56.391 56.048 -0.022 0.000 1.195 450 H CB 0.158 29.922 29.762 0.004 0.000 1.397 450 H HN 0.498 nan 8.280 nan 0.000 0.572 451 A N 1.071 123.577 122.820 -0.525 0.000 2.455 451 A HA 0.555 4.870 4.320 -0.009 0.000 0.300 451 A C -1.389 175.987 177.584 -0.346 0.000 1.040 451 A CA -0.582 51.205 52.037 -0.417 0.000 0.697 451 A CB 2.257 20.972 19.000 -0.474 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.297 123.974 119.914 -0.395 0.000 2.483 452 V HA 0.518 4.633 4.120 -0.009 0.000 0.297 452 V C -0.757 175.139 176.094 -0.329 0.000 1.027 452 V CA -0.775 61.281 62.300 -0.406 0.000 0.855 452 V CB 1.773 33.199 31.823 -0.663 0.000 0.995 452 V HN 1.005 nan 8.190 nan 0.000 0.424 453 N N 3.292 121.819 118.700 -0.288 0.000 2.240 453 N HA 0.606 5.341 4.740 -0.009 0.000 0.302 453 N C -0.228 175.173 175.510 -0.182 0.000 1.106 453 N CA -0.363 52.563 53.050 -0.207 0.000 0.778 453 N CB 2.883 41.230 38.487 -0.233 0.000 1.431 453 N HN 0.622 nan 8.380 nan 0.000 0.479 454 G N -0.682 108.051 108.800 -0.112 0.000 2.535 454 G HA2 0.425 4.380 3.960 -0.009 0.000 0.303 454 G HA3 0.425 4.380 3.960 -0.009 0.000 0.303 454 G C 0.733 175.695 174.900 0.103 0.000 1.237 454 G CA -0.423 44.668 45.100 -0.015 0.000 0.986 454 G HN 0.653 nan 8.290 nan 0.000 0.494 455 V N -4.021 116.079 119.914 0.310 0.000 3.380 455 V HA 0.706 4.821 4.120 -0.009 0.000 0.307 455 V C 0.531 176.712 176.094 0.145 0.000 1.434 455 V CA 0.434 62.826 62.300 0.155 0.000 1.075 455 V CB -0.618 31.250 31.823 0.075 0.000 0.954 455 V HN 1.314 nan 8.190 nan 0.000 0.444 456 A N 0.005 122.923 122.820 0.162 0.000 2.612 456 A HA 0.663 4.978 4.320 -0.009 0.000 0.293 456 A C 0.697 178.335 177.584 0.089 0.000 1.075 456 A CA -0.125 51.983 52.037 0.118 0.000 0.680 456 A CB 1.310 20.370 19.000 0.099 0.000 1.279 456 A HN 0.023 nan 8.150 nan 0.000 0.411 457 R N 0.678 121.210 120.500 0.053 0.000 2.083 457 R HA -0.143 4.191 4.340 -0.009 0.000 0.237 457 R C 1.613 177.915 176.300 0.003 0.000 1.137 457 R CA 2.235 58.343 56.100 0.014 0.000 0.951 457 R CB -0.218 30.085 30.300 0.004 0.000 0.851 457 R HN 0.815 nan 8.270 nan 0.000 0.434 458 I N 0.253 120.833 120.570 0.018 0.000 2.315 458 I HA -0.284 3.880 4.170 -0.009 0.000 0.248 458 I C 2.317 178.446 176.117 0.021 0.000 1.117 458 I CA 1.725 63.028 61.300 0.005 0.000 1.404 458 I CB -0.210 37.791 38.000 0.002 0.000 1.071 458 I HN 0.340 nan 8.210 nan 0.000 0.419 459 H N 0.314 119.360 119.070 -0.041 0.000 2.326 459 H HA -0.122 4.429 4.556 -0.009 0.000 0.301 459 H C 2.280 177.580 175.328 -0.047 0.000 1.081 459 H CA 2.214 58.234 56.048 -0.046 0.000 1.334 459 H CB -0.272 29.468 29.762 -0.036 0.000 1.385 459 H HN 0.224 nan 8.280 nan 0.000 0.504 460 S N 0.429 116.011 115.700 -0.197 0.000 2.382 460 S HA -0.132 4.333 4.470 -0.009 0.000 0.228 460 S C 1.901 176.387 174.600 -0.190 0.000 1.027 460 S CA 1.218 59.286 58.200 -0.220 0.000 0.991 460 S CB -0.088 63.052 63.200 -0.100 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.192 121.302 120.200 -0.150 0.000 2.072 461 E HA -0.024 4.320 4.350 -0.009 0.000 0.191 461 E C 2.017 178.509 176.600 -0.181 0.000 0.985 461 E CA 0.700 57.003 56.400 -0.162 0.000 0.801 461 E CB -0.386 29.249 29.700 -0.109 0.000 0.750 461 E HN 0.513 nan 8.360 nan 0.000 0.452 462 I N 0.922 121.398 120.570 -0.157 0.000 2.286 462 I HA -0.266 3.899 4.170 -0.009 0.000 0.248 462 I C 2.382 178.378 176.117 -0.202 0.000 1.115 462 I CA 0.752 61.963 61.300 -0.149 0.000 1.392 462 I CB -0.220 37.724 38.000 -0.092 0.000 1.065 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.366 121.438 121.223 -0.252 0.000 2.046 463 L HA -0.225 4.109 4.340 -0.009 0.000 0.208 463 L C 2.478 179.242 176.870 -0.175 0.000 1.077 463 L CA 1.558 56.270 54.840 -0.213 0.000 0.747 463 L CB -0.570 41.441 42.059 -0.079 0.000 0.896 463 L HN 0.202 nan 8.230 nan 0.000 0.432 464 K N -0.102 120.116 120.400 -0.304 0.000 2.155 464 K HA -0.108 4.206 4.320 -0.009 0.000 0.203 464 K C 2.079 178.460 176.600 -0.366 0.000 1.052 464 K CA 0.918 56.868 56.287 -0.560 0.000 0.948 464 K CB 0.069 31.995 32.500 -0.956 0.000 0.728 464 K HN 0.244 nan 8.250 nan 0.000 0.448 465 K N -0.066 120.186 120.400 -0.247 0.000 2.211 465 K HA -0.035 4.280 4.320 -0.009 0.000 0.201 465 K C 1.980 178.521 176.600 -0.099 0.000 1.052 465 K CA 1.468 57.665 56.287 -0.149 0.000 0.973 465 K CB 0.412 32.837 32.500 -0.126 0.000 0.766 465 K HN 0.266 nan 8.250 nan 0.000 0.466 466 T N -1.388 113.097 114.554 -0.115 0.000 3.409 466 T HA 0.052 4.396 4.350 -0.009 0.000 0.188 466 T C 1.921 176.564 174.700 -0.094 0.000 0.929 466 T CA 0.045 62.090 62.100 -0.092 0.000 1.184 466 T CB -0.743 68.068 68.868 -0.095 0.000 1.570 466 T HN 0.115 nan 8.240 nan 0.000 0.367 467 I N -0.947 119.502 120.570 -0.202 0.000 2.493 467 I HA 0.243 4.407 4.170 -0.009 0.000 0.254 467 I C 1.419 177.444 176.117 -0.153 0.000 1.160 467 I CA 1.289 62.426 61.300 -0.271 0.000 1.445 467 I CB -0.595 37.104 38.000 -0.500 0.000 1.086 467 I HN 0.248 nan 8.210 nan 0.000 0.433 468 F N 0.894 120.911 119.950 0.112 0.000 2.708 468 F HA 0.340 4.861 4.527 -0.009 0.000 0.300 468 F C 2.023 177.910 175.800 0.145 0.000 1.118 468 F CA -0.624 57.510 58.000 0.223 0.000 1.307 468 F CB 0.107 39.248 39.000 0.235 0.000 0.986 468 F HN -0.088 nan 8.300 nan 0.000 0.522 469 K N 1.134 121.637 120.400 0.173 0.000 2.059 469 K HA -0.238 4.076 4.320 -0.009 0.000 0.212 469 K C 1.316 177.971 176.600 0.093 0.000 1.050 469 K CA 2.321 58.656 56.287 0.081 0.000 0.927 469 K CB -0.058 32.456 32.500 0.023 0.000 0.714 469 K HN 0.161 nan 8.250 nan 0.000 0.447 470 D N -0.185 120.249 120.400 0.057 0.000 2.123 470 D HA -0.161 4.473 4.640 -0.009 0.000 0.196 470 D C 1.823 178.036 176.300 -0.145 0.000 0.992 470 D CA 1.249 55.157 54.000 -0.154 0.000 0.833 470 D CB -0.305 40.311 40.800 -0.307 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.200 119.815 119.950 0.108 0.000 2.146 471 F HA -0.140 4.381 4.527 -0.009 0.000 0.298 471 F C 2.348 178.265 175.800 0.195 0.000 1.096 471 F CA 0.531 58.671 58.000 0.233 0.000 1.275 471 F CB -0.668 38.553 39.000 0.368 0.000 1.008 471 F HN -0.036 nan 8.300 nan 0.000 0.480 472 Y N 1.341 121.578 120.300 -0.106 0.000 2.224 472 Y HA -0.208 4.337 4.550 -0.009 0.000 0.289 472 Y C 2.127 177.995 175.900 -0.054 0.000 1.146 472 Y CA 1.665 59.513 58.100 -0.419 0.000 1.182 472 Y CB -0.600 37.449 38.460 -0.685 0.000 0.983 472 Y HN 0.134 nan 8.280 nan 0.000 0.524 473 E N -0.391 119.756 120.200 -0.087 0.000 2.106 473 E HA -0.194 4.150 4.350 -0.009 0.000 0.192 473 E C 2.004 178.663 176.600 0.098 0.000 0.984 473 E CA 1.190 57.559 56.400 -0.052 0.000 0.806 473 E CB -0.265 29.451 29.700 0.028 0.000 0.750 473 E HN 0.440 nan 8.360 nan 0.000 0.458 474 L N 0.930 122.247 121.223 0.156 0.000 2.072 474 L HA -0.062 4.273 4.340 -0.009 0.000 0.205 474 L C 0.222 177.184 176.870 0.154 0.000 1.079 474 L CA 1.682 56.655 54.840 0.221 0.000 0.752 474 L CB 0.364 42.541 42.059 0.197 0.000 0.906 474 L HN -0.094 nan 8.230 nan 0.000 0.436 475 E N -0.289 119.997 120.200 0.142 0.000 3.386 475 E HA 0.180 4.524 4.350 -0.009 0.000 0.236 475 E C -2.020 174.533 176.600 -0.077 0.000 1.227 475 E CA -1.196 55.218 56.400 0.024 0.000 0.970 475 E CB 0.817 30.531 29.700 0.024 0.000 1.343 475 E HN 0.194 nan 8.360 nan 0.000 0.397 476 P HA -0.231 nan 4.420 nan 0.000 0.218 476 P C 1.189 178.575 177.300 0.144 0.000 1.149 476 P CA 1.304 64.311 63.100 -0.156 0.000 0.817 476 P CB -0.039 31.444 31.700 -0.361 0.000 0.785 477 H N 0.218 119.387 119.070 0.166 0.000 2.489 477 H HA 0.060 4.611 4.556 -0.009 0.000 0.293 477 H C 1.412 176.832 175.328 0.153 0.000 1.066 477 H CA 0.795 56.931 56.048 0.148 0.000 1.305 477 H CB -0.687 29.134 29.762 0.098 0.000 1.386 477 H HN 0.165 nan 8.280 nan 0.000 0.551 478 K N 0.287 120.572 120.400 -0.192 0.000 2.217 478 K HA 0.043 4.358 4.320 -0.009 0.000 0.202 478 K C -0.139 176.322 176.600 -0.231 0.000 1.051 478 K CA 0.238 56.401 56.287 -0.207 0.000 0.952 478 K CB 0.111 32.374 32.500 -0.394 0.000 0.736 478 K HN 0.111 nan 8.250 nan 0.000 0.453 479 F N 1.805 121.779 119.950 0.039 0.000 2.420 479 F HA 0.179 4.700 4.527 -0.009 0.000 0.352 479 F C 0.476 176.282 175.800 0.010 0.000 1.108 479 F CA -0.222 57.809 58.000 0.052 0.000 1.162 479 F CB 0.926 40.020 39.000 0.157 0.000 1.118 479 F HN -0.116 nan 8.300 nan 0.000 0.510 480 Q N 1.873 121.702 119.800 0.048 0.000 2.544 480 Q HA 0.333 4.667 4.340 -0.009 0.000 0.291 480 Q C -1.169 174.792 176.000 -0.065 0.000 1.068 480 Q CA -1.229 54.556 55.803 -0.030 0.000 0.785 480 Q CB 3.185 31.850 28.738 -0.121 0.000 1.481 480 Q HN 0.622 nan 8.270 nan 0.000 0.430 481 N N 0.856 119.502 118.700 -0.089 0.000 2.314 481 N HA 0.273 5.007 4.740 -0.009 0.000 0.304 481 N C -1.406 174.007 175.510 -0.161 0.000 1.073 481 N CA -0.387 52.606 53.050 -0.096 0.000 0.822 481 N CB 0.961 39.413 38.487 -0.057 0.000 1.280 481 N HN 0.272 nan 8.380 nan 0.000 0.489 482 K N 2.735 123.041 120.400 -0.157 0.000 2.675 482 K HA 0.188 4.503 4.320 -0.009 0.000 0.224 482 K C -0.934 175.671 176.600 0.008 0.000 1.003 482 K CA -0.491 55.678 56.287 -0.197 0.000 1.034 482 K CB 1.261 33.419 32.500 -0.569 0.000 1.218 482 K HN 0.540 nan 8.250 nan 0.000 0.507 483 T N 2.062 116.639 114.554 0.039 0.000 2.928 483 T HA 0.064 4.408 4.350 -0.009 0.000 0.305 483 T C 0.779 175.607 174.700 0.213 0.000 1.035 483 T CA 0.308 62.484 62.100 0.127 0.000 1.145 483 T CB 0.330 69.273 68.868 0.125 0.000 0.963 483 T HN 0.359 nan 8.240 nan 0.000 0.545 484 N N 0.503 119.352 118.700 0.249 0.000 2.340 484 N HA 0.416 5.150 4.740 -0.009 0.000 0.236 484 N C 0.446 176.148 175.510 0.319 0.000 1.296 484 N CA -0.191 53.039 53.050 0.301 0.000 0.896 484 N CB 0.408 39.014 38.487 0.198 0.000 1.127 484 N HN 0.757 nan 8.380 nan 0.000 0.442 485 G N -0.587 108.409 108.800 0.328 0.000 2.687 485 G HA2 0.608 4.563 3.960 -0.009 0.000 0.291 485 G HA3 0.608 4.563 3.960 -0.009 0.000 0.291 485 G C -1.376 173.661 174.900 0.227 0.000 1.420 485 G CA -0.734 44.543 45.100 0.295 0.000 0.796 485 G HN 0.598 nan 8.290 nan 0.000 0.485 486 I N -2.374 118.314 120.570 0.197 0.000 2.892 486 I HA 0.760 4.924 4.170 -0.009 0.000 0.306 486 I C -0.226 176.046 176.117 0.259 0.000 1.078 486 I CA -0.950 60.459 61.300 0.182 0.000 1.032 486 I CB 2.449 40.456 38.000 0.012 0.000 1.229 486 I HN 0.496 nan 8.210 nan 0.000 0.435 487 T N 3.856 118.615 114.554 0.342 0.000 2.794 487 T HA 0.378 4.722 4.350 -0.009 0.000 0.296 487 T C -1.536 173.281 174.700 0.194 0.000 0.949 487 T CA -1.622 60.605 62.100 0.212 0.000 1.101 487 T CB 0.792 69.731 68.868 0.118 0.000 0.905 487 T HN 0.633 nan 8.240 nan 0.000 0.516 488 P HA 0.101 nan 4.420 nan 0.000 0.245 488 P C 1.024 178.290 177.300 -0.056 0.000 1.212 488 P CA 0.194 63.333 63.100 0.063 0.000 0.774 488 P CB 0.338 32.066 31.700 0.047 0.000 0.999 489 R N 0.483 120.904 120.500 -0.131 0.000 2.060 489 R HA 0.023 4.358 4.340 -0.009 0.000 0.225 489 R C 2.643 178.821 176.300 -0.203 0.000 1.155 489 R CA 1.507 57.487 56.100 -0.199 0.000 0.930 489 R CB -1.247 28.939 30.300 -0.190 0.000 0.829 489 R HN 0.028 nan 8.270 nan 0.000 0.433 490 R N -0.744 119.576 120.500 -0.301 0.000 2.091 490 R HA -0.141 4.193 4.340 -0.009 0.000 0.238 490 R C 1.065 177.010 176.300 -0.592 0.000 1.136 490 R CA 1.800 57.557 56.100 -0.572 0.000 0.959 490 R CB -0.180 29.565 30.300 -0.925 0.000 0.856 490 R HN 0.313 nan 8.270 nan 0.000 0.437 491 W N -0.566 120.688 121.300 -0.076 0.000 3.353 491 W HA 0.172 4.826 4.660 -0.010 0.000 0.304 491 W C 0.966 177.453 176.519 -0.055 0.000 1.273 491 W CA -0.726 56.573 57.345 -0.077 0.000 1.773 491 W CB 0.463 29.880 29.460 -0.072 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.227 119.049 121.223 0.088 0.000 2.511 492 L HA 0.195 4.529 4.340 -0.009 0.000 0.173 492 L C 1.745 178.629 176.870 0.023 0.000 1.160 492 L CA 0.799 55.685 54.840 0.078 0.000 0.964 492 L CB -0.819 41.313 42.059 0.122 0.000 1.892 492 L HN -0.245 nan 8.230 nan 0.000 0.497 493 V N 0.986 120.889 119.914 -0.018 0.000 2.295 493 V HA -0.261 3.854 4.120 -0.009 0.000 0.246 493 V C 2.441 178.505 176.094 -0.049 0.000 1.049 493 V CA 2.428 64.709 62.300 -0.032 0.000 1.024 493 V CB -0.651 31.125 31.823 -0.078 0.000 0.648 493 V HN 0.497 nan 8.190 nan 0.000 0.447 494 L N 0.502 121.665 121.223 -0.101 0.000 2.005 494 L HA -0.195 4.139 4.340 -0.009 0.000 0.207 494 L C 2.509 179.312 176.870 -0.112 0.000 1.072 494 L CA 2.454 57.217 54.840 -0.127 0.000 0.744 494 L CB -0.284 41.646 42.059 -0.215 0.000 0.895 494 L HN 0.659 nan 8.230 nan 0.000 0.433 495 C N -1.838 117.390 119.300 -0.120 0.000 2.563 495 C HA 0.195 4.649 4.460 -0.009 0.000 0.268 495 C C 1.208 176.179 174.990 -0.031 0.000 1.365 495 C CA -0.245 58.721 59.018 -0.086 0.000 1.754 495 C CB -1.000 26.691 27.740 -0.083 0.000 1.932 495 C HN 0.601 nan 8.230 nan 0.000 0.536 496 N N 1.137 119.830 118.700 -0.012 0.000 2.703 496 N HA 0.289 5.023 4.740 -0.009 0.000 0.283 496 N C -1.796 173.725 175.510 0.017 0.000 1.851 496 N CA -1.602 51.453 53.050 0.009 0.000 0.826 496 N CB 0.751 39.252 38.487 0.024 0.000 1.239 496 N HN 0.243 nan 8.380 nan 0.000 0.495 497 P HA -0.024 nan 4.420 nan 0.000 0.218 497 P C 1.418 178.732 177.300 0.025 0.000 1.149 497 P CA 0.849 63.959 63.100 0.016 0.000 0.817 497 P CB 0.230 31.932 31.700 0.003 0.000 0.785 498 G N 0.737 109.546 108.800 0.015 0.000 2.446 498 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.217 498 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.217 498 G C 1.524 176.432 174.900 0.014 0.000 1.168 498 G CA 0.713 45.819 45.100 0.011 0.000 0.771 498 G HN 0.243 nan 8.290 nan 0.000 0.551 499 L N 1.245 122.478 121.223 0.017 0.000 2.056 499 L HA 0.255 4.589 4.340 -0.009 0.000 0.207 499 L C 3.088 179.991 176.870 0.055 0.000 1.078 499 L CA 1.980 56.831 54.840 0.018 0.000 0.749 499 L CB -0.750 41.320 42.059 0.017 0.000 0.901 499 L HN 0.235 nan 8.230 nan 0.000 0.433 500 A N -0.786 122.088 122.820 0.089 0.000 1.940 500 A HA -0.263 4.052 4.320 -0.009 0.000 0.219 500 A C 2.250 179.935 177.584 0.169 0.000 1.176 500 A CA 1.856 53.999 52.037 0.177 0.000 0.631 500 A CB -0.663 18.430 19.000 0.155 0.000 0.814 500 A HN 0.536 nan 8.150 nan 0.000 0.446 501 E N 0.584 120.842 120.200 0.097 0.000 2.047 501 E HA -0.153 4.191 4.350 -0.009 0.000 0.191 501 E C 1.836 178.478 176.600 0.070 0.000 0.987 501 E CA 1.567 58.014 56.400 0.078 0.000 0.799 501 E CB -0.504 29.222 29.700 0.044 0.000 0.752 501 E HN 0.745 nan 8.360 nan 0.000 0.449 502 I N -1.771 118.834 120.570 0.059 0.000 2.493 502 I HA -0.117 4.047 4.170 -0.009 0.000 0.254 502 I C 2.096 178.288 176.117 0.126 0.000 1.160 502 I CA 1.028 62.376 61.300 0.079 0.000 1.445 502 I CB -0.306 37.722 38.000 0.047 0.000 1.086 502 I HN 0.023 nan 8.210 nan 0.000 0.433 503 I N 1.986 122.606 120.570 0.083 0.000 2.233 503 I HA -0.182 3.983 4.170 -0.009 0.000 0.243 503 I C 3.007 179.086 176.117 -0.064 0.000 1.093 503 I CA 1.341 62.614 61.300 -0.045 0.000 1.380 503 I CB -0.515 37.332 38.000 -0.255 0.000 1.067 503 I HN 0.294 nan 8.210 nan 0.000 0.413 504 A N 0.355 123.233 122.820 0.098 0.000 1.978 504 A HA -0.231 4.083 4.320 -0.009 0.000 0.220 504 A C 2.160 179.782 177.584 0.063 0.000 1.170 504 A CA 1.625 53.768 52.037 0.177 0.000 0.636 504 A CB -0.607 18.526 19.000 0.220 0.000 0.810 504 A HN 0.455 nan 8.150 nan 0.000 0.448 505 E N -0.624 119.590 120.200 0.025 0.000 2.118 505 E HA -0.203 4.141 4.350 -0.009 0.000 0.195 505 E C 2.263 178.830 176.600 -0.054 0.000 0.992 505 E CA 1.235 57.632 56.400 -0.005 0.000 0.804 505 E CB -0.075 29.625 29.700 -0.000 0.000 0.741 505 E HN 0.515 nan 8.360 nan 0.000 0.458 506 R N 0.151 120.563 120.500 -0.147 0.000 2.090 506 R HA 0.062 4.397 4.340 -0.009 0.000 0.219 506 R C 2.333 178.569 176.300 -0.107 0.000 1.100 506 R CA 0.881 56.830 56.100 -0.252 0.000 0.991 506 R CB -0.213 29.619 30.300 -0.780 0.000 0.893 506 R HN 0.329 nan 8.270 nan 0.000 0.443 507 I N -2.955 117.567 120.570 -0.080 0.000 4.154 507 I HA 0.423 4.587 4.170 -0.009 0.000 0.334 507 I C 0.462 176.626 176.117 0.078 0.000 1.371 507 I CA 0.081 61.383 61.300 0.003 0.000 1.110 507 I CB 0.822 38.807 38.000 -0.025 0.000 1.085 507 I HN 0.173 nan 8.210 nan 0.000 0.398 508 G N 2.033 110.888 108.800 0.090 0.000 2.725 508 G HA2 -0.233 3.721 3.960 -0.009 0.000 0.220 508 G HA3 -0.233 3.721 3.960 -0.009 0.000 0.220 508 G C 0.015 175.041 174.900 0.209 0.000 1.357 508 G CA 0.258 45.428 45.100 0.117 0.000 0.866 508 G HN 0.440 nan 8.290 nan 0.000 0.548 509 E N -0.222 120.051 120.200 0.122 0.000 2.460 509 E HA 0.099 4.443 4.350 -0.009 0.000 0.200 509 E C 2.028 178.574 176.600 -0.090 0.000 1.011 509 E CA 0.318 56.732 56.400 0.023 0.000 0.912 509 E CB 0.262 29.970 29.700 0.012 0.000 0.953 509 E HN 0.625 nan 8.360 nan 0.000 0.494 510 E N 0.328 120.546 120.200 0.029 0.000 2.267 510 E HA -0.210 4.135 4.350 -0.009 0.000 0.197 510 E C 1.623 178.215 176.600 -0.013 0.000 0.998 510 E CA 1.037 57.447 56.400 0.017 0.000 0.830 510 E CB -0.118 29.617 29.700 0.059 0.000 0.751 510 E HN 0.473 nan 8.360 nan 0.000 0.491 511 Y N -0.971 119.334 120.300 0.008 0.000 2.421 511 Y HA -0.058 4.488 4.550 -0.008 0.000 0.292 511 Y C 1.730 177.608 175.900 -0.037 0.000 1.136 511 Y CA 0.507 58.604 58.100 -0.005 0.000 1.255 511 Y CB -0.475 37.986 38.460 0.002 0.000 0.991 511 Y HN -0.056 nan 8.280 nan 0.000 0.552 512 I N 0.932 121.032 120.570 -0.783 0.000 2.361 512 I HA -0.234 3.931 4.170 -0.009 0.000 0.251 512 I C 1.759 177.624 176.117 -0.420 0.000 1.133 512 I CA 1.817 62.701 61.300 -0.694 0.000 1.413 512 I CB -0.342 37.154 38.000 -0.840 0.000 1.073 512 I HN 0.469 nan 8.210 nan 0.000 0.424 513 S N -2.075 113.480 115.700 -0.241 0.000 2.650 513 S HA 0.170 4.634 4.470 -0.009 0.000 0.240 513 S C 0.158 174.741 174.600 -0.028 0.000 1.007 513 S CA -0.477 57.660 58.200 -0.105 0.000 0.984 513 S CB 0.280 63.483 63.200 0.006 0.000 0.910 513 S HN 0.275 nan 8.310 nan 0.000 0.509 514 D N 0.742 121.135 120.400 -0.012 0.000 2.823 514 D HA 0.252 4.887 4.640 -0.009 0.000 0.255 514 D C 0.350 176.691 176.300 0.070 0.000 1.257 514 D CA -0.403 53.614 54.000 0.029 0.000 0.803 514 D CB 0.482 41.303 40.800 0.035 0.000 1.384 514 D HN 0.100 nan 8.370 nan 0.000 0.541 515 L N 1.309 122.574 121.223 0.070 0.000 2.265 515 L HA -0.009 4.325 4.340 -0.009 0.000 0.215 515 L C 1.414 178.338 176.870 0.090 0.000 1.117 515 L CA 1.513 56.424 54.840 0.118 0.000 0.782 515 L CB -0.071 42.052 42.059 0.106 0.000 0.914 515 L HN 0.264 nan 8.230 nan 0.000 0.441 516 D N -0.657 119.772 120.400 0.048 0.000 2.221 516 D HA -0.225 4.409 4.640 -0.009 0.000 0.204 516 D C 1.934 178.256 176.300 0.037 0.000 0.982 516 D CA 0.880 54.894 54.000 0.024 0.000 0.857 516 D CB 0.026 40.828 40.800 0.003 0.000 0.934 516 D HN 0.555 nan 8.370 nan 0.000 0.475 517 Q N -0.042 119.797 119.800 0.065 0.000 2.364 517 Q HA -0.066 4.268 4.340 -0.009 0.000 0.209 517 Q C 2.294 178.316 176.000 0.037 0.000 0.977 517 Q CA 0.291 56.134 55.803 0.067 0.000 0.885 517 Q CB -0.016 28.792 28.738 0.117 0.000 0.941 517 Q HN 0.404 nan 8.270 nan 0.000 0.464 518 L N 0.183 121.422 121.223 0.026 0.000 2.261 518 L HA -0.191 4.144 4.340 -0.009 0.000 0.216 518 L C 2.293 179.160 176.870 -0.004 0.000 1.114 518 L CA 0.854 55.676 54.840 -0.029 0.000 0.777 518 L CB -0.394 41.656 42.059 -0.014 0.000 0.910 518 L HN 0.218 nan 8.230 nan 0.000 0.440 519 R N 0.415 120.922 120.500 0.010 0.000 2.139 519 R HA -0.196 4.139 4.340 -0.009 0.000 0.243 519 R C 2.127 178.430 176.300 0.004 0.000 1.145 519 R CA 1.188 57.293 56.100 0.009 0.000 0.976 519 R CB -0.257 30.045 30.300 0.003 0.000 0.866 519 R HN 0.405 nan 8.270 nan 0.000 0.449 520 K N 0.615 121.018 120.400 0.005 0.000 2.281 520 K HA -0.125 4.189 4.320 -0.009 0.000 0.203 520 K C 1.902 178.527 176.600 0.041 0.000 1.046 520 K CA 0.966 57.259 56.287 0.011 0.000 0.938 520 K CB -0.129 32.386 32.500 0.025 0.000 0.737 520 K HN 0.224 nan 8.250 nan 0.000 0.458 521 L N 0.527 121.771 121.223 0.036 0.000 2.362 521 L HA -0.144 4.190 4.340 -0.009 0.000 0.219 521 L C 1.790 178.713 176.870 0.087 0.000 1.134 521 L CA 0.071 54.953 54.840 0.070 0.000 0.807 521 L CB -0.288 41.777 42.059 0.010 0.000 0.927 521 L HN 0.123 nan 8.230 nan 0.000 0.447 522 L N -0.387 120.856 121.223 0.034 0.000 2.187 522 L HA -0.176 4.158 4.340 -0.009 0.000 0.213 522 L C 2.527 179.369 176.870 -0.045 0.000 1.100 522 L CA 1.435 56.283 54.840 0.012 0.000 0.765 522 L CB -1.087 40.969 42.059 -0.004 0.000 0.904 522 L HN 0.164 nan 8.230 nan 0.000 0.437 523 S N -1.776 113.841 115.700 -0.138 0.000 2.507 523 S HA -0.099 4.366 4.470 -0.009 0.000 0.235 523 S C 1.112 175.423 174.600 -0.481 0.000 0.988 523 S CA 0.600 58.597 58.200 -0.338 0.000 0.944 523 S CB -0.253 62.645 63.200 -0.503 0.000 0.762 523 S HN 0.464 nan 8.310 nan 0.000 0.526 524 Y N -0.841 119.390 120.300 -0.115 0.000 2.531 524 Y HA 0.356 4.904 4.550 -0.003 0.000 0.249 524 Y C 1.688 177.626 175.900 0.063 0.000 1.168 524 Y CA -0.520 57.515 58.100 -0.108 0.000 1.226 524 Y CB -0.037 38.155 38.460 -0.446 0.000 1.177 524 Y HN 0.072 nan 8.280 nan 0.000 0.527 525 V N 0.405 120.407 119.914 0.147 0.000 2.720 525 V HA -0.208 3.906 4.120 -0.009 0.000 0.256 525 V C 0.968 177.131 176.094 0.115 0.000 1.082 525 V CA 2.193 64.580 62.300 0.145 0.000 1.101 525 V CB -0.005 31.866 31.823 0.080 0.000 0.693 525 V HN 0.350 nan 8.190 nan 0.000 0.479 526 D N -0.723 119.726 120.400 0.082 0.000 2.395 526 D HA 0.107 4.741 4.640 -0.009 0.000 0.213 526 D C 0.409 176.761 176.300 0.087 0.000 1.110 526 D CA 0.009 54.048 54.000 0.064 0.000 0.835 526 D CB 0.101 40.916 40.800 0.025 0.000 0.965 526 D HN 0.440 nan 8.370 nan 0.000 0.505 527 D N 1.450 121.940 120.400 0.149 0.000 2.336 527 D HA -0.020 4.615 4.640 -0.009 0.000 0.249 527 D C 1.118 177.527 176.300 0.182 0.000 1.213 527 D CA -0.012 54.099 54.000 0.185 0.000 0.870 527 D CB 1.602 42.592 40.800 0.318 0.000 1.076 527 D HN -0.185 nan 8.370 nan 0.000 0.483 528 E N 3.163 123.434 120.200 0.118 0.000 2.110 528 E HA -0.147 4.197 4.350 -0.009 0.000 0.193 528 E C 1.769 178.423 176.600 0.089 0.000 0.988 528 E CA 1.418 57.869 56.400 0.086 0.000 0.804 528 E CB 0.003 29.737 29.700 0.056 0.000 0.745 528 E HN 0.600 nan 8.360 nan 0.000 0.458 529 A N -0.332 122.556 122.820 0.112 0.000 1.898 529 A HA -0.141 4.174 4.320 -0.009 0.000 0.216 529 A C 2.202 179.864 177.584 0.130 0.000 1.181 529 A CA 1.292 53.390 52.037 0.101 0.000 0.620 529 A CB -0.919 18.142 19.000 0.102 0.000 0.819 529 A HN 0.440 nan 8.150 nan 0.000 0.442 530 F N 0.438 120.395 119.950 0.012 0.000 2.102 530 F HA -0.145 4.377 4.527 -0.008 0.000 0.298 530 F C 2.048 177.849 175.800 0.000 0.000 1.105 530 F CA 1.602 59.592 58.000 -0.017 0.000 1.239 530 F CB -0.120 38.871 39.000 -0.014 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.204 120.797 120.570 0.039 0.000 2.151 531 I HA -0.382 3.782 4.170 -0.009 0.000 0.243 531 I C 2.598 178.658 176.117 -0.095 0.000 1.080 531 I CA 1.794 63.066 61.300 -0.047 0.000 1.339 531 I CB -0.551 37.470 38.000 0.035 0.000 1.039 531 I HN 0.102 nan 8.210 nan 0.000 0.409 532 R N 0.791 121.261 120.500 -0.051 0.000 2.081 532 R HA -0.194 4.141 4.340 -0.009 0.000 0.235 532 R C 1.886 178.132 176.300 -0.090 0.000 1.131 532 R CA 1.920 57.988 56.100 -0.053 0.000 0.960 532 R CB -0.118 30.171 30.300 -0.020 0.000 0.856 532 R HN 0.303 nan 8.270 nan 0.000 0.436 533 D N -0.399 119.926 120.400 -0.125 0.000 2.117 533 D HA -0.112 4.523 4.640 -0.009 0.000 0.198 533 D C 1.923 178.090 176.300 -0.220 0.000 0.982 533 D CA 1.106 55.018 54.000 -0.146 0.000 0.828 533 D CB -0.142 40.584 40.800 -0.123 0.000 0.967 533 D HN 0.068 nan 8.370 nan 0.000 0.464 534 V N 1.416 121.104 119.914 -0.378 0.000 2.287 534 V HA -0.250 3.864 4.120 -0.009 0.000 0.248 534 V C 2.507 178.503 176.094 -0.162 0.000 1.053 534 V CA 1.937 64.029 62.300 -0.347 0.000 1.027 534 V CB -0.805 30.732 31.823 -0.477 0.000 0.646 534 V HN 0.192 nan 8.190 nan 0.000 0.447 535 A N -0.507 122.238 122.820 -0.124 0.000 1.930 535 A HA -0.238 4.076 4.320 -0.009 0.000 0.217 535 A C 2.355 179.900 177.584 -0.065 0.000 1.175 535 A CA 2.034 54.032 52.037 -0.065 0.000 0.627 535 A CB -0.454 18.513 19.000 -0.055 0.000 0.815 535 A HN 0.533 nan 8.150 nan 0.000 0.443 536 K N -0.172 120.185 120.400 -0.072 0.000 2.057 536 K HA -0.070 4.244 4.320 -0.009 0.000 0.206 536 K C 1.797 178.368 176.600 -0.048 0.000 1.050 536 K CA 1.490 57.744 56.287 -0.055 0.000 0.935 536 K CB -0.241 32.229 32.500 -0.050 0.000 0.715 536 K HN 0.220 nan 8.250 nan 0.000 0.439 537 V N 1.813 121.693 119.914 -0.057 0.000 2.343 537 V HA -0.246 3.869 4.120 -0.009 0.000 0.247 537 V C 2.397 178.475 176.094 -0.027 0.000 1.051 537 V CA 1.999 64.275 62.300 -0.041 0.000 1.036 537 V CB -0.467 31.325 31.823 -0.052 0.000 0.654 537 V HN 0.353 nan 8.190 nan 0.000 0.451 538 K N 0.473 120.854 120.400 -0.031 0.000 2.026 538 K HA -0.238 4.076 4.320 -0.009 0.000 0.208 538 K C 2.181 178.753 176.600 -0.046 0.000 1.048 538 K CA 1.904 58.179 56.287 -0.020 0.000 0.929 538 K CB -0.548 31.955 32.500 0.004 0.000 0.713 538 K HN 0.396 nan 8.250 nan 0.000 0.439 539 Q N 1.043 120.809 119.800 -0.056 0.000 2.096 539 Q HA -0.146 4.188 4.340 -0.009 0.000 0.204 539 Q C 1.723 177.701 176.000 -0.036 0.000 0.982 539 Q CA 2.111 57.873 55.803 -0.068 0.000 0.850 539 Q CB -0.156 28.546 28.738 -0.060 0.000 0.901 539 Q HN 0.515 nan 8.270 nan 0.000 0.422 540 E N -0.451 119.740 120.200 -0.016 0.000 2.058 540 E HA -0.186 4.158 4.350 -0.009 0.000 0.194 540 E C 1.807 178.428 176.600 0.034 0.000 0.997 540 E CA 1.121 57.526 56.400 0.009 0.000 0.801 540 E CB -0.140 29.563 29.700 0.005 0.000 0.746 540 E HN 0.427 nan 8.360 nan 0.000 0.450 541 N N 0.955 119.672 118.700 0.029 0.000 2.120 541 N HA -0.135 4.600 4.740 -0.009 0.000 0.188 541 N C 1.534 177.118 175.510 0.122 0.000 1.024 541 N CA 1.063 54.151 53.050 0.063 0.000 0.852 541 N CB -0.109 38.400 38.487 0.037 0.000 1.003 541 N HN 0.147 nan 8.380 nan 0.000 0.424 542 K N 0.544 120.976 120.400 0.053 0.000 2.097 542 K HA 0.025 4.339 4.320 -0.009 0.000 0.205 542 K C 2.113 178.827 176.600 0.191 0.000 1.050 542 K CA 0.602 56.927 56.287 0.063 0.000 0.938 542 K CB -0.131 32.145 32.500 -0.374 0.000 0.718 542 K HN 0.105 nan 8.250 nan 0.000 0.442 543 L N 1.228 122.513 121.223 0.102 0.000 2.017 543 L HA -0.195 4.140 4.340 -0.009 0.000 0.208 543 L C 2.633 179.593 176.870 0.150 0.000 1.073 543 L CA 1.321 56.230 54.840 0.115 0.000 0.745 543 L CB -0.331 41.766 42.059 0.063 0.000 0.894 543 L HN 0.161 nan 8.230 nan 0.000 0.432 544 K N -0.261 120.231 120.400 0.152 0.000 2.063 544 K HA -0.254 4.061 4.320 -0.009 0.000 0.208 544 K C 2.194 178.939 176.600 0.242 0.000 1.048 544 K CA 1.769 58.154 56.287 0.165 0.000 0.928 544 K CB -0.194 32.390 32.500 0.140 0.000 0.713 544 K HN 0.087 nan 8.250 nan 0.000 0.442 545 F N 1.065 121.111 119.950 0.160 0.000 2.186 545 F HA -0.053 4.469 4.527 -0.009 0.000 0.299 545 F C 2.008 177.951 175.800 0.238 0.000 1.090 545 F CA 1.188 59.313 58.000 0.207 0.000 1.307 545 F CB -0.356 38.773 39.000 0.215 0.000 1.019 545 F HN 0.084 nan 8.300 nan 0.000 0.489 546 A N 0.117 123.087 122.820 0.249 0.000 1.972 546 A HA -0.061 4.254 4.320 -0.009 0.000 0.219 546 A C 2.380 179.970 177.584 0.010 0.000 1.169 546 A CA 1.688 53.797 52.037 0.121 0.000 0.635 546 A CB -1.411 17.726 19.000 0.227 0.000 0.810 546 A HN 0.441 nan 8.150 nan 0.000 0.446 547 A N -1.616 121.236 122.820 0.053 0.000 1.897 547 A HA -0.043 4.272 4.320 -0.009 0.000 0.215 547 A C 2.109 179.691 177.584 -0.004 0.000 1.181 547 A CA 1.434 53.486 52.037 0.025 0.000 0.620 547 A CB -0.779 18.259 19.000 0.063 0.000 0.821 547 A HN 0.724 nan 8.150 nan 0.000 0.443 548 Y N 0.525 120.758 120.300 -0.111 0.000 2.181 548 Y HA -0.179 4.366 4.550 -0.009 0.000 0.288 548 Y C 1.925 177.725 175.900 -0.166 0.000 1.146 548 Y CA 1.837 59.858 58.100 -0.132 0.000 1.164 548 Y CB -0.190 38.187 38.460 -0.138 0.000 0.982 548 Y HN 0.217 nan 8.280 nan 0.000 0.515 549 L N -0.028 121.026 121.223 -0.281 0.000 2.017 549 L HA -0.206 4.128 4.340 -0.009 0.000 0.208 549 L C 2.421 179.158 176.870 -0.220 0.000 1.073 549 L CA 1.766 56.438 54.840 -0.280 0.000 0.745 549 L CB -0.542 41.325 42.059 -0.319 0.000 0.894 549 L HN 0.302 nan 8.230 nan 0.000 0.432 550 E N -0.217 119.840 120.200 -0.239 0.000 2.051 550 E HA -0.229 4.115 4.350 -0.009 0.000 0.192 550 E C 2.348 178.813 176.600 -0.224 0.000 0.991 550 E CA 1.124 57.348 56.400 -0.292 0.000 0.799 550 E CB -0.027 29.500 29.700 -0.287 0.000 0.748 550 E HN 0.383 nan 8.360 nan 0.000 0.449 551 R N 0.645 121.023 120.500 -0.204 0.000 2.070 551 R HA -0.140 4.194 4.340 -0.009 0.000 0.232 551 R C 2.114 178.255 176.300 -0.266 0.000 1.138 551 R CA 1.395 57.382 56.100 -0.189 0.000 0.936 551 R CB -0.087 30.125 30.300 -0.147 0.000 0.839 551 R HN 0.002 nan 8.270 nan 0.000 0.429 552 E N -1.506 118.436 120.200 -0.429 0.000 2.435 552 E HA -0.045 4.300 4.350 -0.009 0.000 0.195 552 E C 0.194 176.313 176.600 -0.801 0.000 1.029 552 E CA 0.731 56.754 56.400 -0.628 0.000 0.865 552 E CB 0.453 29.623 29.700 -0.884 0.000 0.833 552 E HN 0.365 nan 8.360 nan 0.000 0.510 553 Y N -1.080 119.065 120.300 -0.258 0.000 2.590 553 Y HA 0.221 4.765 4.550 -0.009 0.000 0.263 553 Y C 0.165 175.986 175.900 -0.131 0.000 1.069 553 Y CA -0.504 57.496 58.100 -0.167 0.000 1.242 553 Y CB 0.964 39.326 38.460 -0.163 0.000 1.357 553 Y HN -0.268 nan 8.280 nan 0.000 0.556 554 K N 0.139 120.501 120.400 -0.062 0.000 3.088 554 K HA -0.136 4.178 4.320 -0.009 0.000 0.273 554 K C -0.359 176.189 176.600 -0.088 0.000 1.111 554 K CA 0.893 57.131 56.287 -0.082 0.000 0.803 554 K CB -2.460 30.041 32.500 0.001 0.000 1.226 554 K HN 0.261 nan 8.250 nan 0.000 0.485 555 V N -1.167 118.669 119.914 -0.130 0.000 2.427 555 V HA 0.487 4.601 4.120 -0.009 0.000 0.286 555 V C 0.522 176.477 176.094 -0.233 0.000 1.034 555 V CA -0.691 61.552 62.300 -0.095 0.000 0.893 555 V CB 1.880 33.674 31.823 -0.049 0.000 0.982 555 V HN 0.185 nan 8.190 nan 0.000 0.452 556 H N 5.615 124.675 119.070 -0.018 0.000 2.476 556 H HA 0.672 5.222 4.556 -0.009 0.000 0.328 556 H C -0.316 175.002 175.328 -0.017 0.000 1.073 556 H CA -0.182 55.860 56.048 -0.011 0.000 1.229 556 H CB 2.108 31.870 29.762 -0.001 0.000 1.432 556 H HN 0.877 nan 8.280 nan 0.000 0.477 557 I N 0.010 120.632 120.570 0.087 0.000 2.828 557 I HA 0.350 4.515 4.170 -0.009 0.000 0.302 557 I C -0.100 176.094 176.117 0.128 0.000 1.101 557 I CA -1.292 60.049 61.300 0.069 0.000 1.031 557 I CB 2.092 40.089 38.000 -0.005 0.000 1.231 557 I HN 0.238 nan 8.210 nan 0.000 0.427 558 N N 5.069 123.846 118.700 0.129 0.000 2.405 558 N HA 0.327 5.061 4.740 -0.009 0.000 0.260 558 N C -1.954 173.706 175.510 0.251 0.000 1.152 558 N CA -2.266 50.873 53.050 0.148 0.000 0.948 558 N CB 0.861 39.408 38.487 0.099 0.000 1.111 558 N HN 0.406 nan 8.380 nan 0.000 0.485 559 P HA 0.082 nan 4.420 nan 0.000 0.241 559 P C -0.101 177.199 177.300 -0.001 0.000 1.191 559 P CA 0.810 64.010 63.100 0.167 0.000 0.771 559 P CB 0.234 32.003 31.700 0.114 0.000 0.929 560 N N -0.962 117.768 118.700 0.050 0.000 2.353 560 N HA -0.002 4.732 4.740 -0.009 0.000 0.185 560 N C 0.425 175.971 175.510 0.059 0.000 1.098 560 N CA -0.065 53.001 53.050 0.027 0.000 0.872 560 N CB 0.016 38.527 38.487 0.041 0.000 0.970 560 N HN 0.133 nan 8.380 nan 0.000 0.467 561 S N 0.247 116.000 115.700 0.089 0.000 2.614 561 S HA 0.163 4.627 4.470 -0.009 0.000 0.265 561 S C 0.083 174.661 174.600 -0.037 0.000 1.303 561 S CA -0.879 57.357 58.200 0.059 0.000 1.000 561 S CB 1.017 64.282 63.200 0.107 0.000 0.935 561 S HN 0.181 nan 8.310 nan 0.000 0.551 562 L N 2.003 123.037 121.223 -0.316 0.000 2.410 562 L HA 0.357 4.692 4.340 -0.009 0.000 0.273 562 L C -0.902 175.949 176.870 -0.031 0.000 1.144 562 L CA -0.514 53.958 54.840 -0.614 0.000 0.863 562 L CB -0.186 41.212 42.059 -1.103 0.000 1.140 562 L HN 0.701 nan 8.230 nan 0.000 0.463 563 F N 4.263 124.077 119.950 -0.227 0.000 2.405 563 F HA 0.114 4.636 4.527 -0.008 0.000 0.358 563 F C 0.385 176.112 175.800 -0.121 0.000 1.151 563 F CA -0.807 57.126 58.000 -0.112 0.000 1.161 563 F CB 0.635 39.616 39.000 -0.032 0.000 1.245 563 F HN 0.513 nan 8.300 nan 0.000 0.545 564 D N 4.866 125.260 120.400 -0.010 0.000 2.412 564 D HA 0.318 4.953 4.640 -0.009 0.000 0.224 564 D C -1.028 175.205 176.300 -0.111 0.000 1.093 564 D CA -0.185 53.765 54.000 -0.083 0.000 0.850 564 D CB 1.391 42.128 40.800 -0.105 0.000 1.046 564 D HN 0.109 nan 8.370 nan 0.000 0.507 565 V N 4.464 124.290 119.914 -0.147 0.000 2.487 565 V HA 0.382 4.496 4.120 -0.009 0.000 0.298 565 V C -0.159 175.773 176.094 -0.270 0.000 1.028 565 V CA -0.828 61.369 62.300 -0.172 0.000 0.860 565 V CB 1.699 33.488 31.823 -0.057 0.000 0.991 565 V HN 0.508 nan 8.190 nan 0.000 0.427 566 Q N 3.886 123.550 119.800 -0.226 0.000 2.394 566 Q HA 0.642 4.977 4.340 -0.009 0.000 0.261 566 Q C -1.371 174.464 176.000 -0.275 0.000 1.023 566 Q CA -0.463 55.196 55.803 -0.240 0.000 0.720 566 Q CB 1.911 30.538 28.738 -0.186 0.000 1.241 566 Q HN 0.801 nan 8.270 nan 0.000 0.483 567 V N 1.571 121.307 119.914 -0.297 0.000 2.487 567 V HA 0.869 4.983 4.120 -0.009 0.000 0.298 567 V C -0.972 174.840 176.094 -0.469 0.000 1.028 567 V CA -0.579 61.357 62.300 -0.605 0.000 0.860 567 V CB 1.213 32.428 31.823 -1.015 0.000 0.991 567 V HN 0.827 nan 8.190 nan 0.000 0.427 568 K N 2.514 122.685 120.400 -0.383 0.000 2.960 568 K HA 0.418 4.733 4.320 -0.009 0.000 0.296 568 K C -1.232 175.383 176.600 0.026 0.000 1.092 568 K CA -1.192 55.065 56.287 -0.051 0.000 0.847 568 K CB 0.845 33.312 32.500 -0.055 0.000 1.458 568 K HN 0.460 nan 8.250 nan 0.000 0.359 569 R N 0.922 121.511 120.500 0.147 0.000 2.698 569 R HA 0.148 4.482 4.340 -0.009 0.000 0.266 569 R C 0.356 176.712 176.300 0.093 0.000 1.026 569 R CA -0.315 55.888 56.100 0.171 0.000 1.102 569 R CB -0.117 30.364 30.300 0.302 0.000 0.978 569 R HN 0.476 nan 8.270 nan 0.000 0.436 570 I N 3.960 124.507 120.570 -0.039 0.000 2.436 570 I HA 0.116 4.281 4.170 -0.009 0.000 0.289 570 I C 0.243 176.140 176.117 -0.366 0.000 1.083 570 I CA 0.244 61.453 61.300 -0.151 0.000 1.372 570 I CB -0.388 37.525 38.000 -0.146 0.000 1.408 570 I HN 0.434 nan 8.210 nan 0.000 0.516 571 H N 2.997 121.967 119.070 -0.167 0.000 2.974 571 H HA 0.234 4.785 4.556 -0.009 0.000 0.366 571 H C 0.587 175.788 175.328 -0.212 0.000 1.155 571 H CA -0.538 55.447 56.048 -0.105 0.000 1.186 571 H CB 1.794 31.415 29.762 -0.236 0.000 1.799 571 H HN 0.486 nan 8.280 nan 0.000 0.541 572 E N 1.124 121.359 120.200 0.058 0.000 2.118 572 E HA -0.271 4.074 4.350 -0.009 0.000 0.195 572 E C 1.237 177.587 176.600 -0.416 0.000 0.992 572 E CA 1.750 58.122 56.400 -0.046 0.000 0.804 572 E CB -0.030 29.822 29.700 0.253 0.000 0.741 572 E HN 0.679 nan 8.360 nan 0.000 0.458 573 Y N 0.706 120.491 120.300 -0.858 0.000 2.352 573 Y HA -0.035 4.510 4.550 -0.009 0.000 0.292 573 Y C 1.544 177.185 175.900 -0.431 0.000 1.136 573 Y CA 0.874 58.296 58.100 -1.130 0.000 1.227 573 Y CB -0.114 37.700 38.460 -1.076 0.000 0.991 573 Y HN -0.202 nan 8.280 nan 0.000 0.545 574 K N 0.589 120.527 120.400 -0.771 0.000 2.366 574 K HA 0.086 4.400 4.320 -0.009 0.000 0.198 574 K C 0.185 176.618 176.600 -0.278 0.000 1.044 574 K CA 0.508 56.470 56.287 -0.543 0.000 0.973 574 K CB 0.003 32.174 32.500 -0.547 0.000 0.767 574 K HN 0.233 nan 8.250 nan 0.000 0.475 575 R N 0.271 120.633 120.500 -0.230 0.000 3.423 575 R HA -0.225 4.109 4.340 -0.009 0.000 0.271 575 R C 0.314 176.534 176.300 -0.133 0.000 1.093 575 R CA 0.230 56.245 56.100 -0.142 0.000 0.730 575 R CB -1.969 28.265 30.300 -0.110 0.000 1.190 575 R HN 0.282 nan 8.270 nan 0.000 0.437 576 Q N 0.370 120.090 119.800 -0.134 0.000 2.197 576 Q HA -0.113 4.222 4.340 -0.009 0.000 0.207 576 Q C 2.035 177.985 176.000 -0.084 0.000 0.984 576 Q CA 1.709 57.448 55.803 -0.107 0.000 0.869 576 Q CB -0.052 28.626 28.738 -0.100 0.000 0.906 576 Q HN 0.587 nan 8.270 nan 0.000 0.426 577 L N -0.658 120.518 121.223 -0.079 0.000 2.083 577 L HA -0.187 4.148 4.340 -0.009 0.000 0.209 577 L C 2.030 178.896 176.870 -0.005 0.000 1.083 577 L CA 0.542 55.351 54.840 -0.052 0.000 0.752 577 L CB -0.343 41.696 42.059 -0.033 0.000 0.899 577 L HN 0.308 nan 8.230 nan 0.000 0.433 578 L N 0.053 121.263 121.223 -0.022 0.000 2.046 578 L HA -0.247 4.087 4.340 -0.009 0.000 0.208 578 L C 2.039 178.944 176.870 0.059 0.000 1.077 578 L CA 1.937 56.770 54.840 -0.011 0.000 0.747 578 L CB -0.847 41.099 42.059 -0.187 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.607 117.097 118.700 0.006 0.000 2.069 579 N HA -0.253 4.482 4.740 -0.009 0.000 0.191 579 N C 1.960 177.546 175.510 0.127 0.000 1.031 579 N CA 1.797 54.933 53.050 0.144 0.000 0.852 579 N CB -0.158 38.348 38.487 0.031 0.000 1.018 579 N HN 0.503 nan 8.380 nan 0.000 0.423 580 C N 0.557 119.868 119.300 0.019 0.000 2.401 580 C HA -0.104 4.351 4.460 -0.009 0.000 0.276 580 C C 2.585 177.566 174.990 -0.015 0.000 1.233 580 C CA 0.438 59.424 59.018 -0.054 0.000 1.753 580 C CB -1.300 26.356 27.740 -0.141 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.473 120.803 121.223 0.088 0.000 2.093 581 L HA -0.182 4.152 4.340 -0.009 0.000 0.208 581 L C 2.765 179.791 176.870 0.260 0.000 1.085 581 L CA 1.725 56.666 54.840 0.170 0.000 0.755 581 L CB -1.053 41.174 42.059 0.279 0.000 0.904 581 L HN 0.585 nan 8.230 nan 0.000 0.435 582 H N -0.006 119.178 119.070 0.190 0.000 2.353 582 H HA -0.137 4.414 4.556 -0.009 0.000 0.300 582 H C 2.238 177.562 175.328 -0.006 0.000 1.090 582 H CA 1.887 57.967 56.048 0.053 0.000 1.327 582 H CB 0.340 30.071 29.762 -0.051 0.000 1.383 582 H HN 0.090 nan 8.280 nan 0.000 0.508 583 V N 1.588 121.428 119.914 -0.124 0.000 2.287 583 V HA -0.280 3.834 4.120 -0.009 0.000 0.248 583 V C 2.832 178.858 176.094 -0.112 0.000 1.053 583 V CA 1.937 64.127 62.300 -0.184 0.000 1.027 583 V CB -0.508 31.250 31.823 -0.107 0.000 0.646 583 V HN 0.392 nan 8.190 nan 0.000 0.447 584 I N -0.225 120.314 120.570 -0.052 0.000 2.286 584 I HA -0.220 3.944 4.170 -0.009 0.000 0.248 584 I C 2.508 178.679 176.117 0.090 0.000 1.115 584 I CA 1.699 63.036 61.300 0.061 0.000 1.392 584 I CB -0.772 37.239 38.000 0.019 0.000 1.065 584 I HN 0.322 nan 8.210 nan 0.000 0.418 585 T N 1.346 115.914 114.554 0.023 0.000 2.684 585 T HA -0.170 4.175 4.350 -0.009 0.000 0.267 585 T C 1.874 176.530 174.700 -0.073 0.000 1.036 585 T CA 1.326 63.431 62.100 0.008 0.000 1.148 585 T CB -0.263 68.636 68.868 0.051 0.000 0.863 585 T HN 0.082 nan 8.240 nan 0.000 0.436 586 L N -0.000 121.112 121.223 -0.185 0.000 2.046 586 L HA 0.014 4.348 4.340 -0.009 0.000 0.208 586 L C 2.088 178.918 176.870 -0.067 0.000 1.077 586 L CA 1.493 56.220 54.840 -0.188 0.000 0.747 586 L CB -1.109 40.762 42.059 -0.312 0.000 0.896 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.266 120.502 120.300 -0.107 0.000 2.145 587 Y HA -0.277 4.268 4.550 -0.009 0.000 0.286 587 Y C 2.414 178.292 175.900 -0.036 0.000 1.145 587 Y CA 1.788 59.863 58.100 -0.042 0.000 1.148 587 Y CB -0.072 38.408 38.460 0.033 0.000 0.981 587 Y HN 0.270 nan 8.280 nan 0.000 0.507 588 N N 0.460 119.108 118.700 -0.086 0.000 2.166 588 N HA -0.136 4.598 4.740 -0.009 0.000 0.186 588 N C 1.832 177.228 175.510 -0.190 0.000 1.019 588 N CA 1.490 54.430 53.050 -0.184 0.000 0.856 588 N CB -0.361 38.084 38.487 -0.070 0.000 0.993 588 N HN 0.436 nan 8.380 nan 0.000 0.426 589 R N 0.422 120.839 120.500 -0.138 0.000 2.081 589 R HA 0.054 4.389 4.340 -0.009 0.000 0.235 589 R C 2.238 178.452 176.300 -0.143 0.000 1.131 589 R CA 0.822 56.849 56.100 -0.122 0.000 0.960 589 R CB -0.289 29.951 30.300 -0.100 0.000 0.856 589 R HN 0.234 nan 8.270 nan 0.000 0.436 590 I N 0.973 121.438 120.570 -0.175 0.000 2.179 590 I HA -0.283 3.881 4.170 -0.009 0.000 0.242 590 I C 2.175 178.172 176.117 -0.200 0.000 1.088 590 I CA 1.245 62.441 61.300 -0.173 0.000 1.357 590 I CB -0.201 37.700 38.000 -0.164 0.000 1.051 590 I HN 0.038 nan 8.210 nan 0.000 0.409 591 K N 0.838 121.051 120.400 -0.311 0.000 2.147 591 K HA -0.212 4.103 4.320 -0.009 0.000 0.205 591 K C 2.030 178.526 176.600 -0.173 0.000 1.049 591 K CA 1.216 57.333 56.287 -0.284 0.000 0.936 591 K CB -0.310 31.934 32.500 -0.426 0.000 0.722 591 K HN 0.343 nan 8.250 nan 0.000 0.446 592 K N 1.159 121.465 120.400 -0.155 0.000 2.062 592 K HA -0.082 4.232 4.320 -0.009 0.000 0.205 592 K C 0.023 176.575 176.600 -0.080 0.000 1.051 592 K CA 1.043 57.266 56.287 -0.106 0.000 0.941 592 K CB 0.339 32.781 32.500 -0.096 0.000 0.719 592 K HN 0.073 nan 8.250 nan 0.000 0.440 593 E N 0.431 120.582 120.200 -0.081 0.000 3.037 593 E HA 0.123 4.467 4.350 -0.009 0.000 0.220 593 E C -2.311 174.253 176.600 -0.059 0.000 1.142 593 E CA -1.659 54.706 56.400 -0.058 0.000 0.888 593 E CB 1.688 31.360 29.700 -0.046 0.000 1.329 593 E HN 0.154 nan 8.360 nan 0.000 0.409 594 P HA -0.131 nan 4.420 nan 0.000 0.220 594 P C 0.262 177.542 177.300 -0.033 0.000 1.148 594 P CA 1.182 64.249 63.100 -0.056 0.000 0.803 594 P CB 0.198 31.870 31.700 -0.048 0.000 0.782 595 N N -1.298 117.391 118.700 -0.018 0.000 2.268 595 N HA 0.018 4.753 4.740 -0.009 0.000 0.204 595 N C 0.561 176.085 175.510 0.024 0.000 1.124 595 N CA -0.160 52.892 53.050 0.004 0.000 0.838 595 N CB 0.145 38.635 38.487 0.004 0.000 0.994 595 N HN 0.009 nan 8.380 nan 0.000 0.489 596 K N 1.217 121.625 120.400 0.013 0.000 2.174 596 K HA 0.121 4.436 4.320 -0.009 0.000 0.275 596 K C -0.868 175.770 176.600 0.064 0.000 1.015 596 K CA -0.497 55.814 56.287 0.039 0.000 0.933 596 K CB 0.610 33.115 32.500 0.008 0.000 1.025 596 K HN -0.065 nan 8.250 nan 0.000 0.463 597 F N 4.600 124.537 119.950 -0.022 0.000 2.495 597 F HA 0.192 4.714 4.527 -0.009 0.000 0.365 597 F C -0.350 175.436 175.800 -0.023 0.000 1.090 597 F CA -0.133 57.855 58.000 -0.020 0.000 1.235 597 F CB 0.626 39.618 39.000 -0.014 0.000 1.119 597 F HN 0.193 nan 8.300 nan 0.000 0.562 598 V N 4.234 123.619 119.914 -0.883 0.000 2.876 598 V HA 0.561 4.676 4.120 -0.009 0.000 0.312 598 V C -0.743 174.742 176.094 -1.016 0.000 1.085 598 V CA -1.215 60.671 62.300 -0.691 0.000 0.945 598 V CB 1.053 32.667 31.823 -0.348 0.000 1.017 598 V HN 0.575 nan 8.190 nan 0.000 0.428 599 V N 4.580 124.180 119.914 -0.523 0.000 2.493 599 V HA 0.193 4.308 4.120 -0.009 0.000 0.292 599 V C -1.853 174.073 176.094 -0.280 0.000 1.016 599 V CA -0.430 61.692 62.300 -0.297 0.000 1.097 599 V CB 0.300 32.075 31.823 -0.080 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.343 nan 4.420 nan 0.000 0.271 600 P C -0.413 176.796 177.300 -0.152 0.000 1.216 600 P CA -0.098 62.907 63.100 -0.159 0.000 0.771 600 P CB 0.561 32.214 31.700 -0.077 0.000 0.864 601 R N 1.124 121.545 120.500 -0.132 0.000 2.750 601 R HA 0.561 4.895 4.340 -0.009 0.000 0.281 601 R C -0.686 175.569 176.300 -0.075 0.000 0.972 601 R CA -0.639 55.386 56.100 -0.124 0.000 0.912 601 R CB 1.893 32.106 30.300 -0.146 0.000 1.187 601 R HN 0.304 nan 8.270 nan 0.000 0.464 602 T N 2.116 116.639 114.554 -0.052 0.000 2.788 602 T HA 0.237 4.582 4.350 -0.009 0.000 0.296 602 T C -0.250 174.357 174.700 -0.154 0.000 1.009 602 T CA -0.484 61.541 62.100 -0.126 0.000 0.949 602 T CB 1.105 69.820 68.868 -0.255 0.000 0.946 602 T HN 0.137 nan 8.240 nan 0.000 0.453 603 V N 5.928 125.762 119.914 -0.133 0.000 2.385 603 V HA 0.410 4.524 4.120 -0.009 0.000 0.269 603 V C 0.090 176.102 176.094 -0.136 0.000 1.043 603 V CA -0.391 61.837 62.300 -0.120 0.000 0.906 603 V CB 0.676 32.445 31.823 -0.089 0.000 0.995 603 V HN 0.856 nan 8.190 nan 0.000 0.467 604 M N 6.623 126.131 119.600 -0.153 0.000 2.243 604 M HA 0.613 5.088 4.480 -0.009 0.000 0.324 604 M C -1.001 175.188 176.300 -0.184 0.000 1.031 604 M CA -0.183 55.018 55.300 -0.166 0.000 0.949 604 M CB 2.004 34.502 32.600 -0.170 0.000 1.615 604 M HN 0.425 nan 8.290 nan 0.000 0.430 605 I N 1.859 122.302 120.570 -0.212 0.000 2.498 605 I HA 0.834 4.998 4.170 -0.009 0.000 0.290 605 I C 0.081 175.866 176.117 -0.554 0.000 1.032 605 I CA -0.663 60.484 61.300 -0.256 0.000 1.073 605 I CB 2.294 40.235 38.000 -0.098 0.000 1.251 605 I HN 0.797 nan 8.210 nan 0.000 0.426 606 G N 2.916 111.360 108.800 -0.593 0.000 2.690 606 G HA2 0.830 4.784 3.960 -0.009 0.000 0.293 606 G HA3 0.830 4.784 3.960 -0.009 0.000 0.293 606 G C -1.043 173.566 174.900 -0.485 0.000 1.399 606 G CA -0.771 43.829 45.100 -0.834 0.000 0.890 606 G HN 0.992 nan 8.290 nan 0.000 0.485 607 G N -0.354 108.312 108.800 -0.223 0.000 2.352 607 G HA2 0.410 4.364 3.960 -0.009 0.000 0.303 607 G HA3 0.410 4.364 3.960 -0.009 0.000 0.303 607 G C -1.235 173.796 174.900 0.219 0.000 1.593 607 G CA -1.031 44.105 45.100 0.060 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N -0.106 120.415 120.400 0.202 0.000 2.098 608 K HA 0.738 5.053 4.320 -0.009 0.000 0.261 608 K C 0.320 177.030 176.600 0.183 0.000 0.987 608 K CA -0.125 56.291 56.287 0.216 0.000 0.916 608 K CB 1.914 34.448 32.500 0.056 0.000 1.039 608 K HN 0.856 nan 8.250 nan 0.000 0.455 609 A N 1.398 124.356 122.820 0.231 0.000 2.305 609 A HA 0.610 4.924 4.320 -0.009 0.000 0.322 609 A C -0.424 177.318 177.584 0.264 0.000 1.187 609 A CA -0.734 51.375 52.037 0.120 0.000 0.825 609 A CB 0.968 19.972 19.000 0.007 0.000 1.164 609 A HN 0.777 nan 8.150 nan 0.000 0.498 610 A N 3.721 126.675 122.820 0.225 0.000 2.546 610 A HA 0.429 4.743 4.320 -0.009 0.000 0.243 610 A C -1.410 176.278 177.584 0.174 0.000 1.063 610 A CA -0.629 51.568 52.037 0.266 0.000 0.757 610 A CB -0.373 18.783 19.000 0.259 0.000 0.991 610 A HN 0.600 nan 8.150 nan 0.000 0.503 611 P HA -0.113 nan 4.420 nan 0.000 0.217 611 P C 1.249 178.556 177.300 0.011 0.000 1.148 611 P CA 1.879 64.939 63.100 -0.068 0.000 0.828 611 P CB 0.225 31.815 31.700 -0.185 0.000 0.783 612 G N -2.829 106.012 108.800 0.067 0.000 3.284 612 G HA2 -0.048 3.906 3.960 -0.009 0.000 0.236 612 G HA3 -0.048 3.906 3.960 -0.009 0.000 0.236 612 G C -0.388 174.582 174.900 0.117 0.000 1.158 612 G CA -0.082 45.063 45.100 0.075 0.000 0.774 612 G HN 0.307 nan 8.290 nan 0.000 0.545 613 Y N 1.360 121.642 120.300 -0.030 0.000 2.700 613 Y HA 0.234 4.778 4.550 -0.009 0.000 0.333 613 Y C 1.501 177.402 175.900 0.002 0.000 1.036 613 Y CA -1.119 56.942 58.100 -0.065 0.000 1.287 613 Y CB 0.247 38.641 38.460 -0.110 0.000 1.132 613 Y HN 0.315 nan 8.280 nan 0.000 0.510 614 H N 4.362 123.555 119.070 0.206 0.000 2.319 614 H HA -0.208 4.343 4.556 -0.009 0.000 0.299 614 H C 1.753 177.105 175.328 0.040 0.000 1.092 614 H CA 2.297 58.402 56.048 0.096 0.000 1.302 614 H CB 0.392 30.203 29.762 0.082 0.000 1.373 614 H HN 0.737 nan 8.280 nan 0.000 0.497 615 M N 1.100 120.670 119.600 -0.049 0.000 2.149 615 M HA -0.082 4.392 4.480 -0.009 0.000 0.261 615 M C 2.527 178.582 176.300 -0.407 0.000 1.064 615 M CA 1.822 57.007 55.300 -0.190 0.000 1.102 615 M CB -0.675 31.957 32.600 0.053 0.000 1.369 615 M HN 0.345 nan 8.290 nan 0.000 0.408 616 A N -0.469 121.871 122.820 -0.800 0.000 1.933 616 A HA -0.184 4.130 4.320 -0.009 0.000 0.218 616 A C 2.193 179.563 177.584 -0.357 0.000 1.175 616 A CA 1.813 53.405 52.037 -0.742 0.000 0.628 616 A CB -0.633 17.690 19.000 -1.127 0.000 0.814 616 A HN 0.585 nan 8.150 nan 0.000 0.444 617 K N -1.112 119.137 120.400 -0.252 0.000 2.148 617 K HA -0.029 4.285 4.320 -0.009 0.000 0.204 617 K C 1.897 178.453 176.600 -0.073 0.000 1.050 617 K CA 1.185 57.419 56.287 -0.088 0.000 0.942 617 K CB -0.194 32.323 32.500 0.028 0.000 0.724 617 K HN 0.348 nan 8.250 nan 0.000 0.446 618 M N 0.468 119.975 119.600 -0.156 0.000 2.229 618 M HA -0.072 4.403 4.480 -0.009 0.000 0.264 618 M C 2.094 178.329 176.300 -0.108 0.000 1.063 618 M CA 1.360 56.605 55.300 -0.092 0.000 1.114 618 M CB -0.587 31.935 32.600 -0.130 0.000 1.387 618 M HN 0.123 nan 8.290 nan 0.000 0.420 619 I N -0.034 120.433 120.570 -0.172 0.000 2.252 619 I HA -0.299 3.866 4.170 -0.009 0.000 0.245 619 I C 2.287 178.275 176.117 -0.215 0.000 1.102 619 I CA 1.049 62.239 61.300 -0.184 0.000 1.385 619 I CB -0.298 37.590 38.000 -0.187 0.000 1.064 619 I HN 0.163 nan 8.210 nan 0.000 0.414 620 I N 0.687 121.108 120.570 -0.248 0.000 2.163 620 I HA -0.334 3.831 4.170 -0.009 0.000 0.243 620 I C 2.613 178.453 176.117 -0.462 0.000 1.085 620 I CA 1.373 62.428 61.300 -0.409 0.000 1.347 620 I CB -0.381 37.345 38.000 -0.457 0.000 1.044 620 I HN 0.167 nan 8.210 nan 0.000 0.408 621 K N 1.515 121.656 120.400 -0.431 0.000 2.063 621 K HA -0.162 4.153 4.320 -0.009 0.000 0.208 621 K C 2.049 178.498 176.600 -0.251 0.000 1.048 621 K CA 1.512 57.472 56.287 -0.545 0.000 0.928 621 K CB -0.590 31.306 32.500 -1.006 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.394 121.503 121.223 -0.190 0.000 2.012 622 L HA -0.199 4.135 4.340 -0.009 0.000 0.210 622 L C 2.226 178.869 176.870 -0.377 0.000 1.073 622 L CA 1.850 56.414 54.840 -0.459 0.000 0.748 622 L CB -0.342 41.359 42.059 -0.597 0.000 0.891 622 L HN 0.281 nan 8.230 nan 0.000 0.431 623 I N -0.162 120.237 120.570 -0.286 0.000 2.163 623 I HA -0.362 3.803 4.170 -0.009 0.000 0.243 623 I C 2.638 178.656 176.117 -0.165 0.000 1.085 623 I CA 2.051 63.235 61.300 -0.193 0.000 1.347 623 I CB -0.655 37.310 38.000 -0.057 0.000 1.044 623 I HN 0.445 nan 8.210 nan 0.000 0.408 624 T N -0.841 113.589 114.554 -0.207 0.000 2.867 624 T HA -0.080 4.264 4.350 -0.009 0.000 0.268 624 T C 1.959 176.598 174.700 -0.101 0.000 1.057 624 T CA 0.961 62.969 62.100 -0.152 0.000 1.136 624 T CB -0.475 68.260 68.868 -0.221 0.000 0.874 624 T HN 0.354 nan 8.240 nan 0.000 0.466 625 A N 1.474 124.232 122.820 -0.104 0.000 1.930 625 A HA 0.159 4.474 4.320 -0.009 0.000 0.217 625 A C 2.375 179.979 177.584 0.034 0.000 1.175 625 A CA 1.220 53.264 52.037 0.012 0.000 0.627 625 A CB -0.781 18.321 19.000 0.171 0.000 0.815 625 A HN 0.595 nan 8.150 nan 0.000 0.443 626 I N -0.288 120.198 120.570 -0.141 0.000 2.179 626 I HA -0.199 3.965 4.170 -0.009 0.000 0.242 626 I C 2.739 178.818 176.117 -0.062 0.000 1.088 626 I CA 1.148 62.343 61.300 -0.174 0.000 1.357 626 I CB -0.702 37.072 38.000 -0.376 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.494 109.250 108.800 -0.073 0.000 2.440 627 G HA2 -0.277 3.677 3.960 -0.009 0.000 0.218 627 G HA3 -0.277 3.677 3.960 -0.009 0.000 0.218 627 G C 1.270 176.164 174.900 -0.009 0.000 1.154 627 G CA 1.082 46.150 45.100 -0.055 0.000 0.767 627 G HN 0.288 nan 8.290 nan 0.000 0.552 628 D N -0.060 120.371 120.400 0.052 0.000 2.149 628 D HA -0.082 4.552 4.640 -0.009 0.000 0.198 628 D C 2.702 179.103 176.300 0.168 0.000 0.990 628 D CA 0.731 54.820 54.000 0.148 0.000 0.839 628 D CB -0.146 40.703 40.800 0.082 0.000 0.948 628 D HN 0.261 nan 8.370 nan 0.000 0.460 629 V N 0.090 120.042 119.914 0.063 0.000 2.331 629 V HA -0.127 3.988 4.120 -0.009 0.000 0.242 629 V C 2.593 178.639 176.094 -0.081 0.000 1.034 629 V CA 0.707 62.990 62.300 -0.029 0.000 1.027 629 V CB -0.256 31.508 31.823 -0.098 0.000 0.667 629 V HN 0.020 nan 8.190 nan 0.000 0.457 630 V N 0.981 120.797 119.914 -0.164 0.000 2.343 630 V HA -0.204 3.911 4.120 -0.009 0.000 0.247 630 V C 2.157 178.204 176.094 -0.079 0.000 1.051 630 V CA 2.036 64.234 62.300 -0.169 0.000 1.036 630 V CB -0.872 30.850 31.823 -0.168 0.000 0.654 630 V HN 0.559 nan 8.190 nan 0.000 0.451 631 N N -0.311 118.287 118.700 -0.171 0.000 2.512 631 N HA -0.083 4.651 4.740 -0.009 0.000 0.183 631 N C 1.209 176.432 175.510 -0.478 0.000 1.073 631 N CA 0.913 53.762 53.050 -0.336 0.000 0.911 631 N CB -0.262 37.951 38.487 -0.457 0.000 0.964 631 N HN 0.695 nan 8.380 nan 0.000 0.447 632 H N -1.565 117.509 119.070 0.006 0.000 2.784 632 H HA 0.205 4.755 4.556 -0.009 0.000 0.273 632 H C -0.509 174.833 175.328 0.024 0.000 1.112 632 H CA -0.499 55.553 56.048 0.008 0.000 1.162 632 H CB 0.610 30.368 29.762 -0.007 0.000 1.586 632 H HN -0.018 nan 8.280 nan 0.000 0.548 633 D N 1.960 122.429 120.400 0.115 0.000 2.339 633 D HA 0.036 4.670 4.640 -0.009 0.000 0.241 633 D C -1.602 174.752 176.300 0.091 0.000 1.183 633 D CA -2.026 52.054 54.000 0.134 0.000 0.859 633 D CB 1.664 42.616 40.800 0.253 0.000 1.067 633 D HN 0.116 nan 8.370 nan 0.000 0.484 634 P HA -0.103 nan 4.420 nan 0.000 0.220 634 P C 1.558 178.876 177.300 0.031 0.000 1.148 634 P CA 0.315 63.441 63.100 0.042 0.000 0.803 634 P CB 0.436 32.156 31.700 0.034 0.000 0.782 635 V N -0.535 119.399 119.914 0.033 0.000 2.515 635 V HA -0.158 3.957 4.120 -0.009 0.000 0.250 635 V C 2.487 178.584 176.094 0.004 0.000 1.058 635 V CA 1.397 63.703 62.300 0.010 0.000 1.064 635 V CB -0.990 30.829 31.823 -0.006 0.000 0.675 635 V HN -0.028 nan 8.190 nan 0.000 0.461 636 V N -0.054 119.879 119.914 0.032 0.000 2.343 636 V HA 0.026 4.141 4.120 -0.009 0.000 0.247 636 V C 1.820 177.918 176.094 0.006 0.000 1.051 636 V CA 1.757 64.074 62.300 0.029 0.000 1.036 636 V CB -1.286 30.599 31.823 0.103 0.000 0.654 636 V HN 0.752 nan 8.190 nan 0.000 0.451 637 G N 1.374 110.181 108.800 0.012 0.000 2.556 637 G HA2 -0.359 3.596 3.960 -0.009 0.000 0.283 637 G HA3 -0.359 3.596 3.960 -0.009 0.000 0.283 637 G C 0.340 175.237 174.900 -0.005 0.000 1.177 637 G CA 0.402 45.503 45.100 0.002 0.000 0.978 637 G HN 0.659 nan 8.290 nan 0.000 0.554 638 D N 0.549 120.945 120.400 -0.006 0.000 2.358 638 D HA 0.153 4.788 4.640 -0.009 0.000 0.224 638 D C 1.839 178.126 176.300 -0.021 0.000 1.123 638 D CA 0.098 54.094 54.000 -0.006 0.000 0.833 638 D CB -0.082 40.724 40.800 0.010 0.000 0.946 638 D HN 0.605 nan 8.370 nan 0.000 0.505 639 R N -0.651 119.825 120.500 -0.040 0.000 2.200 639 R HA 0.226 4.561 4.340 -0.009 0.000 0.208 639 R C 0.009 176.260 176.300 -0.081 0.000 1.033 639 R CA 0.180 56.232 56.100 -0.080 0.000 1.000 639 R CB 0.389 30.622 30.300 -0.112 0.000 0.906 639 R HN 0.093 nan 8.270 nan 0.000 0.462 640 L N 0.698 121.891 121.223 -0.050 0.000 2.505 640 L HA 0.400 4.735 4.340 -0.009 0.000 0.266 640 L C -1.608 175.234 176.870 -0.046 0.000 0.954 640 L CA -0.526 54.284 54.840 -0.051 0.000 0.852 640 L CB 1.804 43.846 42.059 -0.028 0.000 1.282 640 L HN -0.170 nan 8.230 nan 0.000 0.403 641 R N 3.903 124.363 120.500 -0.066 0.000 2.686 641 R HA 0.792 5.126 4.340 -0.009 0.000 0.283 641 R C -1.644 174.600 176.300 -0.093 0.000 0.978 641 R CA -0.815 55.237 56.100 -0.080 0.000 0.897 641 R CB 2.355 32.608 30.300 -0.078 0.000 1.192 641 R HN 0.404 nan 8.270 nan 0.000 0.457 642 V N 4.423 124.281 119.914 -0.094 0.000 2.444 642 V HA 0.488 4.602 4.120 -0.009 0.000 0.294 642 V C -0.281 175.770 176.094 -0.072 0.000 1.022 642 V CA -0.789 61.458 62.300 -0.088 0.000 0.850 642 V CB 1.881 33.651 31.823 -0.089 0.000 0.992 642 V HN 0.488 nan 8.190 nan 0.000 0.426 643 I N 4.670 125.197 120.570 -0.073 0.000 2.436 643 I HA 0.418 4.583 4.170 -0.009 0.000 0.289 643 I C -0.609 175.492 176.117 -0.027 0.000 1.010 643 I CA -0.869 60.397 61.300 -0.056 0.000 1.098 643 I CB 1.772 39.711 38.000 -0.101 0.000 1.266 643 I HN 0.586 nan 8.210 nan 0.000 0.434 644 F N 6.733 126.618 119.950 -0.108 0.000 2.404 644 F HA 0.425 4.947 4.527 -0.009 0.000 0.358 644 F C -0.126 175.610 175.800 -0.107 0.000 1.120 644 F CA -0.434 57.504 58.000 -0.102 0.000 1.144 644 F CB 0.700 39.644 39.000 -0.092 0.000 1.133 644 F HN 0.258 nan 8.300 nan 0.000 0.495 645 L N 6.403 127.233 121.223 -0.656 0.000 2.342 645 L HA 0.198 4.532 4.340 -0.009 0.000 0.285 645 L C 0.341 176.962 176.870 -0.415 0.000 1.095 645 L CA -0.161 54.426 54.840 -0.422 0.000 0.843 645 L CB 0.491 42.392 42.059 -0.263 0.000 1.201 645 L HN 0.642 nan 8.230 nan 0.000 0.445 646 E N 4.172 124.277 120.200 -0.159 0.000 2.373 646 E HA -0.048 4.296 4.350 -0.009 0.000 0.267 646 E C 0.365 177.041 176.600 0.128 0.000 1.032 646 E CA -0.397 56.060 56.400 0.095 0.000 0.889 646 E CB 0.488 30.260 29.700 0.119 0.000 0.984 646 E HN 0.565 nan 8.360 nan 0.000 0.425 647 N N 2.493 121.319 118.700 0.209 0.000 2.738 647 N HA -0.277 4.458 4.740 -0.009 0.000 0.249 647 N C -1.546 174.061 175.510 0.161 0.000 1.047 647 N CA 0.543 53.707 53.050 0.190 0.000 0.707 647 N CB -1.703 36.909 38.487 0.208 0.000 0.937 647 N HN 0.511 nan 8.380 nan 0.000 0.545 648 Y N 1.585 121.897 120.300 0.019 0.000 2.721 648 Y HA 0.144 4.688 4.550 -0.010 0.000 0.329 648 Y C 1.154 177.074 175.900 0.033 0.000 1.211 648 Y CA 0.730 58.829 58.100 -0.002 0.000 1.512 648 Y CB 0.279 38.707 38.460 -0.054 0.000 1.249 648 Y HN 0.368 nan 8.280 nan 0.000 0.549 649 R N 2.451 122.613 120.500 -0.564 0.000 2.762 649 R HA 0.435 4.769 4.340 -0.009 0.000 0.271 649 R C -0.530 175.445 176.300 -0.541 0.000 1.038 649 R CA -0.566 55.292 56.100 -0.403 0.000 0.906 649 R CB 0.294 30.535 30.300 -0.099 0.000 1.259 649 R HN 0.352 nan 8.270 nan 0.000 0.457 650 V N 1.084 120.728 119.914 -0.451 0.000 2.287 650 V HA -0.283 3.831 4.120 -0.009 0.000 0.248 650 V C 2.599 178.573 176.094 -0.201 0.000 1.053 650 V CA 2.818 64.908 62.300 -0.350 0.000 1.027 650 V CB -0.820 30.773 31.823 -0.384 0.000 0.646 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N 0.055 115.654 115.700 -0.168 0.000 2.399 651 S HA -0.173 4.292 4.470 -0.009 0.000 0.231 651 S C 1.932 176.477 174.600 -0.092 0.000 1.022 651 S CA 1.630 59.756 58.200 -0.123 0.000 0.983 651 S CB -0.514 62.639 63.200 -0.079 0.000 0.803 651 S HN 0.389 nan 8.310 nan 0.000 0.480 652 L N 2.003 123.179 121.223 -0.078 0.000 2.109 652 L HA 0.299 4.634 4.340 -0.009 0.000 0.207 652 L C 2.709 179.597 176.870 0.030 0.000 1.086 652 L CA 1.457 56.299 54.840 0.004 0.000 0.760 652 L CB -1.318 40.801 42.059 0.099 0.000 0.910 652 L HN 0.353 nan 8.230 nan 0.000 0.437 653 A N -0.671 122.132 122.820 -0.029 0.000 1.908 653 A HA -0.255 4.060 4.320 -0.009 0.000 0.218 653 A C 2.132 179.784 177.584 0.114 0.000 1.181 653 A CA 1.899 53.997 52.037 0.102 0.000 0.627 653 A CB -0.655 18.379 19.000 0.057 0.000 0.818 653 A HN 0.601 nan 8.150 nan 0.000 0.445 654 E N -0.457 119.791 120.200 0.080 0.000 2.265 654 E HA -0.177 4.167 4.350 -0.009 0.000 0.196 654 E C 1.899 178.474 176.600 -0.041 0.000 0.996 654 E CA 1.293 57.695 56.400 0.002 0.000 0.832 654 E CB -0.055 29.552 29.700 -0.156 0.000 0.756 654 E HN 0.643 nan 8.360 nan 0.000 0.491 655 K N -0.071 120.293 120.400 -0.059 0.000 2.141 655 K HA 0.032 4.347 4.320 -0.009 0.000 0.202 655 K C 2.153 178.623 176.600 -0.216 0.000 1.045 655 K CA 0.439 56.690 56.287 -0.060 0.000 0.971 655 K CB 0.020 32.493 32.500 -0.044 0.000 0.795 655 K HN -0.046 nan 8.250 nan 0.000 0.459 656 V N 1.906 121.606 119.914 -0.357 0.000 2.488 656 V HA -0.127 3.988 4.120 -0.009 0.000 0.246 656 V C 1.896 177.760 176.094 -0.383 0.000 1.046 656 V CA 1.219 63.066 62.300 -0.755 0.000 1.053 656 V CB -0.163 31.313 31.823 -0.578 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.692 121.094 120.570 -0.281 0.000 2.163 657 I HA -0.142 4.023 4.170 -0.009 0.000 0.243 657 I C -0.208 175.802 176.117 -0.179 0.000 1.085 657 I CA 1.703 62.766 61.300 -0.394 0.000 1.347 657 I CB -1.560 36.062 38.000 -0.629 0.000 1.044 657 I HN 0.360 nan 8.210 nan 0.000 0.408 658 P HA -0.134 nan 4.420 nan 0.000 0.221 658 P C 1.067 178.365 177.300 -0.003 0.000 1.145 658 P CA 1.377 64.458 63.100 -0.033 0.000 0.795 658 P CB 0.018 31.707 31.700 -0.018 0.000 0.775 659 A N -1.123 121.679 122.820 -0.030 0.000 2.178 659 A HA 0.420 4.734 4.320 -0.009 0.000 0.211 659 A C 1.229 178.901 177.584 0.147 0.000 1.157 659 A CA 0.229 52.295 52.037 0.049 0.000 0.780 659 A CB -0.730 18.303 19.000 0.054 0.000 0.828 659 A HN 0.205 nan 8.150 nan 0.000 0.476 660 A N 0.001 122.916 122.820 0.158 0.000 2.388 660 A HA 0.449 4.764 4.320 -0.009 0.000 0.257 660 A C 0.374 178.099 177.584 0.235 0.000 1.095 660 A CA -0.107 52.085 52.037 0.257 0.000 0.791 660 A CB 0.318 19.561 19.000 0.404 0.000 1.029 660 A HN 0.287 nan 8.150 nan 0.000 0.489 661 D N 0.410 120.946 120.400 0.228 0.000 2.323 661 D HA 0.115 4.749 4.640 -0.009 0.000 0.218 661 D C 0.037 176.546 176.300 0.349 0.000 0.973 661 D CA 0.765 54.954 54.000 0.315 0.000 0.890 661 D CB 0.307 41.218 40.800 0.185 0.000 1.011 661 D HN 0.358 nan 8.370 nan 0.000 0.499 662 L N 1.072 122.381 121.223 0.144 0.000 2.376 662 L HA 0.281 4.615 4.340 -0.009 0.000 0.275 662 L C -0.866 175.878 176.870 -0.210 0.000 0.987 662 L CA -0.291 54.558 54.840 0.015 0.000 0.828 662 L CB 2.136 44.181 42.059 -0.023 0.000 1.249 662 L HN -0.200 nan 8.230 nan 0.000 0.409 663 S N 4.189 119.680 115.700 -0.348 0.000 2.438 663 S HA 0.317 4.781 4.470 -0.009 0.000 0.293 663 S C -0.367 173.972 174.600 -0.436 0.000 1.141 663 S CA -0.638 57.126 58.200 -0.728 0.000 1.080 663 S CB 0.569 63.314 63.200 -0.759 0.000 0.978 663 S HN 0.545 nan 8.310 nan 0.000 0.479 664 E N 4.131 124.083 120.200 -0.414 0.000 2.089 664 E HA 0.211 4.555 4.350 -0.009 0.000 0.284 664 E C -0.565 175.931 176.600 -0.172 0.000 1.023 664 E CA -0.417 55.863 56.400 -0.200 0.000 0.819 664 E CB 1.021 30.629 29.700 -0.153 0.000 1.076 664 E HN 0.597 nan 8.360 nan 0.000 0.396 665 Q N 2.847 122.603 119.800 -0.074 0.000 2.907 665 Q HA 0.279 4.613 4.340 -0.009 0.000 0.262 665 Q C 0.577 176.575 176.000 -0.003 0.000 0.997 665 Q CA -0.134 55.639 55.803 -0.050 0.000 0.797 665 Q CB 0.285 29.005 28.738 -0.030 0.000 1.228 665 Q HN 0.615 nan 8.270 nan 0.000 0.466 666 I N -1.779 118.774 120.570 -0.029 0.000 3.569 666 I HA 0.272 4.437 4.170 -0.009 0.000 0.334 666 I C 0.396 176.475 176.117 -0.063 0.000 1.570 666 I CA -0.704 60.597 61.300 0.001 0.000 1.082 666 I CB 0.594 38.598 38.000 0.006 0.000 1.323 666 I HN 0.017 nan 8.210 nan 0.000 0.489 667 S N 0.448 116.108 115.700 -0.067 0.000 2.568 667 S HA 0.178 4.642 4.470 -0.009 0.000 0.282 667 S C 0.586 175.175 174.600 -0.019 0.000 1.338 667 S CA -0.224 57.955 58.200 -0.035 0.000 1.045 667 S CB 0.261 63.489 63.200 0.045 0.000 0.873 667 S HN 0.379 nan 8.310 nan 0.000 0.516 668 T N 2.975 117.548 114.554 0.031 0.000 2.908 668 T HA 0.340 4.684 4.350 -0.009 0.000 0.301 668 T C 0.791 175.505 174.700 0.023 0.000 1.019 668 T CA 0.328 62.454 62.100 0.043 0.000 1.152 668 T CB -0.116 68.849 68.868 0.160 0.000 0.966 668 T HN 1.037 nan 8.240 nan 0.000 0.540 669 A N 2.793 125.596 122.820 -0.029 0.000 2.580 669 A HA 0.447 4.762 4.320 -0.009 0.000 0.244 669 A C 1.635 179.215 177.584 -0.007 0.000 1.045 669 A CA 0.281 52.297 52.037 -0.035 0.000 0.761 669 A CB -0.886 18.081 19.000 -0.056 0.000 0.962 669 A HN 1.763 nan 8.150 nan 0.000 0.512 670 G N 1.395 110.190 108.800 -0.008 0.000 2.176 670 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.232 670 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.232 670 G C 0.785 175.677 174.900 -0.014 0.000 0.986 670 G CA 1.098 46.195 45.100 -0.005 0.000 0.643 670 G HN 2.009 nan 8.290 nan 0.000 0.522 671 T N -2.733 111.810 114.554 -0.018 0.000 3.026 671 T HA 0.419 4.763 4.350 -0.009 0.000 0.245 671 T C 0.690 175.244 174.700 -0.243 0.000 1.004 671 T CA 0.995 63.020 62.100 -0.124 0.000 1.069 671 T CB 0.605 69.446 68.868 -0.044 0.000 1.005 671 T HN 0.266 nan 8.240 nan 0.000 0.472 672 E N 1.554 121.743 120.200 -0.019 0.000 2.052 672 E HA 0.670 5.015 4.350 -0.009 0.000 0.283 672 E C 1.165 177.721 176.600 -0.073 0.000 1.071 672 E CA 0.098 56.524 56.400 0.044 0.000 0.851 672 E CB 0.864 30.645 29.700 0.135 0.000 1.066 672 E HN 0.357 nan 8.360 nan 0.000 0.396 673 A N 3.432 126.134 122.820 -0.196 0.000 1.892 673 A HA -0.217 4.097 4.320 -0.009 0.000 0.218 673 A C 1.991 179.454 177.584 -0.202 0.000 1.188 673 A CA 2.277 54.064 52.037 -0.416 0.000 0.631 673 A CB -0.310 18.188 19.000 -0.838 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.447 674 S N -3.796 111.842 115.700 -0.103 0.000 3.792 674 S HA 0.455 4.919 4.470 -0.009 0.000 0.229 674 S C 0.699 175.291 174.600 -0.014 0.000 1.118 674 S CA 1.455 59.641 58.200 -0.023 0.000 0.877 674 S CB -0.066 63.145 63.200 0.018 0.000 1.077 674 S HN 2.261 nan 8.310 nan 0.000 0.546 675 G N 0.422 109.218 108.800 -0.007 0.000 2.721 675 G HA2 -0.068 3.886 3.960 -0.009 0.000 0.686 675 G HA3 -0.068 3.886 3.960 -0.009 0.000 0.686 675 G C 0.241 175.124 174.900 -0.028 0.000 1.236 675 G CA 0.452 45.545 45.100 -0.012 0.000 0.786 675 G HN 1.272 nan 8.290 nan 0.000 0.616 676 T N -1.605 112.920 114.554 -0.049 0.000 3.010 676 T HA 0.380 4.724 4.350 -0.009 0.000 0.253 676 T C 2.420 177.024 174.700 -0.160 0.000 0.939 676 T CA 1.276 63.319 62.100 -0.096 0.000 0.910 676 T CB 0.243 69.049 68.868 -0.105 0.000 1.226 676 T HN 1.915 nan 8.240 nan 0.000 0.508 677 G N 3.277 112.008 108.800 -0.116 0.000 2.469 677 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.219 677 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.219 677 G C 1.470 176.421 174.900 0.086 0.000 1.150 677 G CA 1.325 46.382 45.100 -0.071 0.000 0.763 677 G HN 0.846 nan 8.290 nan 0.000 0.561 678 N N -0.061 118.673 118.700 0.055 0.000 2.060 678 N HA -0.129 4.606 4.740 -0.009 0.000 0.195 678 N C 1.455 176.971 175.510 0.009 0.000 1.028 678 N CA 0.774 53.856 53.050 0.053 0.000 0.861 678 N CB -0.356 38.118 38.487 -0.022 0.000 1.029 678 N HN 0.352 nan 8.380 nan 0.000 0.428 682 M N 0.282 119.965 119.600 0.139 0.000 2.108 682 M HA -0.167 4.308 4.480 -0.009 0.000 0.261 682 M C 2.027 178.379 176.300 0.086 0.000 1.066 682 M CA 1.855 57.208 55.300 0.087 0.000 1.107 682 M CB -0.105 32.536 32.600 0.068 0.000 1.356 682 M HN 0.312 nan 8.290 nan 0.000 0.406 683 L N 0.714 121.985 121.223 0.080 0.000 2.275 683 L HA -0.098 4.237 4.340 -0.009 0.000 0.215 683 L C 1.312 178.226 176.870 0.073 0.000 1.119 683 L CA 1.639 56.533 54.840 0.090 0.000 0.790 683 L CB -0.618 41.504 42.059 0.105 0.000 0.919 683 L HN 0.348 nan 8.230 nan 0.000 0.443 684 N N -0.350 118.385 118.700 0.058 0.000 2.235 684 N HA 0.175 4.909 4.740 -0.009 0.000 0.209 684 N C 0.861 176.408 175.510 0.061 0.000 1.122 684 N CA 0.780 53.859 53.050 0.047 0.000 0.845 684 N CB 0.604 39.097 38.487 0.011 0.000 1.004 684 N HN 0.395 nan 8.380 nan 0.000 0.499 685 G N 0.579 109.421 108.800 0.069 0.000 2.142 685 G HA2 -0.208 3.746 3.960 -0.009 0.000 0.225 685 G HA3 -0.208 3.746 3.960 -0.009 0.000 0.225 685 G C 0.031 175.000 174.900 0.115 0.000 1.015 685 G CA 0.134 45.275 45.100 0.068 0.000 0.716 685 G HN 0.514 nan 8.290 nan 0.000 0.508 686 A N -0.277 122.623 122.820 0.135 0.000 2.312 686 A HA 0.868 5.183 4.320 -0.009 0.000 0.328 686 A C 0.498 178.090 177.584 0.013 0.000 1.158 686 A CA -0.563 51.567 52.037 0.155 0.000 0.821 686 A CB 0.899 20.041 19.000 0.238 0.000 1.170 686 A HN 0.718 nan 8.150 nan 0.000 0.490 687 L N 0.808 122.000 121.223 -0.052 0.000 2.421 687 L HA 0.430 4.764 4.340 -0.009 0.000 0.263 687 L C 0.228 176.976 176.870 -0.203 0.000 1.122 687 L CA -0.331 54.382 54.840 -0.213 0.000 0.804 687 L CB 1.426 43.268 42.059 -0.362 0.000 1.150 687 L HN 0.688 nan 8.230 nan 0.000 0.457 688 T N 2.579 116.890 114.554 -0.404 0.000 2.779 688 T HA 0.458 4.802 4.350 -0.009 0.000 0.280 688 T C -0.400 174.144 174.700 -0.261 0.000 0.987 688 T CA -0.268 61.560 62.100 -0.453 0.000 0.966 688 T CB 1.552 69.956 68.868 -0.774 0.000 0.933 688 T HN 0.350 nan 8.240 nan 0.000 0.442 689 I N 2.898 123.420 120.570 -0.079 0.000 2.321 689 I HA 0.713 4.877 4.170 -0.009 0.000 0.291 689 I C 0.091 176.354 176.117 0.244 0.000 0.998 689 I CA 0.088 61.464 61.300 0.126 0.000 1.227 689 I CB 0.356 38.370 38.000 0.025 0.000 1.368 689 I HN 0.777 nan 8.210 nan 0.000 0.466 690 G N 4.009 113.041 108.800 0.388 0.000 2.646 690 G HA2 0.458 4.412 3.960 -0.009 0.000 0.291 690 G HA3 0.458 4.412 3.960 -0.009 0.000 0.291 690 G C -0.908 173.944 174.900 -0.080 0.000 1.445 690 G CA -0.461 44.777 45.100 0.230 0.000 0.814 690 G HN 0.597 nan 8.290 nan 0.000 0.495 691 T N -1.058 113.312 114.554 -0.307 0.000 2.849 691 T HA 0.494 4.838 4.350 -0.009 0.000 0.284 691 T C 0.773 175.362 174.700 -0.184 0.000 1.004 691 T CA -0.697 61.138 62.100 -0.441 0.000 1.021 691 T CB 1.100 69.724 68.868 -0.406 0.000 1.013 691 T HN 0.261 nan 8.240 nan 0.000 0.527 692 M N 2.892 122.390 119.600 -0.170 0.000 3.254 692 M HA 0.318 4.792 4.480 -0.009 0.000 0.257 692 M C -0.440 175.807 176.300 -0.087 0.000 1.490 692 M CA -0.019 55.215 55.300 -0.111 0.000 1.620 692 M CB -1.770 30.772 32.600 -0.097 0.000 1.157 692 M HN 0.731 nan 8.290 nan 0.000 0.541 693 D N 0.035 120.391 120.400 -0.073 0.000 2.671 693 D HA 0.668 5.303 4.640 -0.009 0.000 0.232 693 D C 0.708 176.990 176.300 -0.031 0.000 1.114 693 D CA 0.713 54.686 54.000 -0.046 0.000 0.858 693 D CB 1.734 42.510 40.800 -0.041 0.000 1.544 693 D HN 0.603 nan 8.370 nan 0.000 0.471 694 G N 1.826 110.617 108.800 -0.014 0.000 2.627 694 G HA2 -0.261 3.693 3.960 -0.009 0.000 0.312 694 G HA3 -0.261 3.693 3.960 -0.009 0.000 0.312 694 G C 1.039 175.936 174.900 -0.005 0.000 1.299 694 G CA 1.139 46.235 45.100 -0.005 0.000 0.989 694 G HN 1.072 nan 8.290 nan 0.000 0.547 695 A N -0.288 122.525 122.820 -0.012 0.000 2.206 695 A HA 0.113 4.427 4.320 -0.009 0.000 0.211 695 A C 2.100 179.626 177.584 -0.097 0.000 1.158 695 A CA 1.777 53.803 52.037 -0.019 0.000 0.761 695 A CB -0.436 18.545 19.000 -0.030 0.000 0.801 695 A HN 0.614 nan 8.150 nan 0.000 0.473 696 N N 0.555 119.204 118.700 -0.084 0.000 2.137 696 N HA -0.156 4.578 4.740 -0.009 0.000 0.190 696 N C 1.588 176.962 175.510 -0.227 0.000 1.017 696 N CA 1.607 54.595 53.050 -0.103 0.000 0.859 696 N CB -0.618 37.862 38.487 -0.012 0.000 1.002 696 N HN 0.288 nan 8.380 nan 0.000 0.428 697 V N 1.236 121.065 119.914 -0.142 0.000 2.332 697 V HA -0.215 3.899 4.120 -0.009 0.000 0.248 697 V C 1.979 177.997 176.094 -0.127 0.000 1.055 697 V CA 1.704 63.919 62.300 -0.141 0.000 1.038 697 V CB -0.465 31.314 31.823 -0.074 0.000 0.651 697 V HN 0.357 nan 8.190 nan 0.000 0.450 698 E N -0.673 119.509 120.200 -0.030 0.000 2.158 698 E HA -0.108 4.236 4.350 -0.009 0.000 0.191 698 E C 2.226 178.939 176.600 0.189 0.000 0.982 698 E CA 0.949 57.410 56.400 0.103 0.000 0.823 698 E CB -0.168 29.678 29.700 0.243 0.000 0.766 698 E HN 0.541 nan 8.360 nan 0.000 0.468 699 M N 0.546 120.147 119.600 0.001 0.000 2.086 699 M HA -0.156 4.318 4.480 -0.009 0.000 0.261 699 M C 2.510 178.625 176.300 -0.309 0.000 1.067 699 M CA 1.608 56.843 55.300 -0.108 0.000 1.116 699 M CB -0.236 32.190 32.600 -0.289 0.000 1.348 699 M HN 0.134 nan 8.290 nan 0.000 0.407 700 A N -0.120 122.224 122.820 -0.792 0.000 1.933 700 A HA -0.217 4.097 4.320 -0.009 0.000 0.218 700 A C 1.993 179.401 177.584 -0.293 0.000 1.175 700 A CA 1.963 53.501 52.037 -0.832 0.000 0.628 700 A CB -0.802 17.661 19.000 -0.894 0.000 0.814 700 A HN 0.603 nan 8.150 nan 0.000 0.444 701 E N -0.391 119.701 120.200 -0.180 0.000 2.072 701 E HA -0.210 4.134 4.350 -0.009 0.000 0.191 701 E C 1.780 178.362 176.600 -0.031 0.000 0.985 701 E CA 1.214 57.566 56.400 -0.080 0.000 0.801 701 E CB -0.083 29.587 29.700 -0.050 0.000 0.750 701 E HN 0.531 nan 8.360 nan 0.000 0.452 702 E N 0.258 120.470 120.200 0.020 0.000 2.047 702 E HA -0.147 4.198 4.350 -0.009 0.000 0.191 702 E C 1.902 178.532 176.600 0.050 0.000 0.987 702 E CA 1.231 57.663 56.400 0.053 0.000 0.799 702 E CB -0.267 29.521 29.700 0.147 0.000 0.752 702 E HN 0.381 nan 8.360 nan 0.000 0.449 703 A N 0.313 123.171 122.820 0.063 0.000 2.021 703 A HA 0.309 4.624 4.320 -0.009 0.000 0.216 703 A C 1.079 178.685 177.584 0.036 0.000 1.163 703 A CA 1.184 53.269 52.037 0.079 0.000 0.676 703 A CB -0.096 19.007 19.000 0.171 0.000 0.818 703 A HN 0.274 nan 8.150 nan 0.000 0.453 704 G N -0.662 108.137 108.800 -0.002 0.000 3.055 704 G HA2 -0.094 3.860 3.960 -0.009 0.000 0.686 704 G HA3 -0.094 3.860 3.960 -0.009 0.000 0.686 704 G C -0.019 174.871 174.900 -0.018 0.000 1.087 704 G CA 0.002 45.092 45.100 -0.018 0.000 0.779 704 G HN 0.247 nan 8.290 nan 0.000 0.599 705 E N 0.986 121.163 120.200 -0.039 0.000 2.209 705 E HA -0.167 4.178 4.350 -0.009 0.000 0.196 705 E C 2.032 178.620 176.600 -0.019 0.000 0.993 705 E CA 1.737 58.120 56.400 -0.029 0.000 0.819 705 E CB 0.081 29.759 29.700 -0.036 0.000 0.745 705 E HN 0.763 nan 8.360 nan 0.000 0.477 706 E N 0.753 120.929 120.200 -0.040 0.000 2.268 706 E HA -0.098 4.247 4.350 -0.009 0.000 0.195 706 E C 0.982 177.498 176.600 -0.141 0.000 0.995 706 E CA 0.667 57.020 56.400 -0.079 0.000 0.836 706 E CB -0.023 29.642 29.700 -0.059 0.000 0.763 706 E HN 0.145 nan 8.360 nan 0.000 0.491 707 N N -0.430 118.219 118.700 -0.085 0.000 2.238 707 N HA 0.158 4.892 4.740 -0.009 0.000 0.222 707 N C -1.011 174.434 175.510 -0.109 0.000 1.133 707 N CA 0.050 53.025 53.050 -0.125 0.000 0.854 707 N CB 0.416 38.880 38.487 -0.038 0.000 1.041 707 N HN 0.046 nan 8.380 nan 0.000 0.510 708 F N -0.338 119.414 119.950 -0.330 0.000 2.588 708 F HA 0.400 4.921 4.527 -0.010 0.000 0.310 708 F C -0.945 174.658 175.800 -0.327 0.000 1.082 708 F CA -1.053 56.798 58.000 -0.248 0.000 0.929 708 F CB 1.379 40.312 39.000 -0.111 0.000 1.254 708 F HN -0.218 nan 8.300 nan 0.000 0.455 709 F N 5.735 125.673 119.950 -0.020 0.000 2.329 709 F HA 0.438 4.959 4.527 -0.009 0.000 0.362 709 F C -0.121 175.815 175.800 0.226 0.000 1.113 709 F CA -0.380 57.659 58.000 0.065 0.000 1.212 709 F CB 0.080 39.063 39.000 -0.027 0.000 1.509 709 F HN 0.080 nan 8.300 nan 0.000 0.546 710 I N 4.158 124.945 120.570 0.362 0.000 2.385 710 I HA 0.412 4.576 4.170 -0.009 0.000 0.294 710 I C -0.324 175.989 176.117 0.327 0.000 0.988 710 I CA -0.732 60.747 61.300 0.298 0.000 1.265 710 I CB 0.988 39.085 38.000 0.161 0.000 1.388 710 I HN 0.329 nan 8.210 nan 0.000 0.480 711 F N 3.483 123.507 119.950 0.124 0.000 2.685 711 F HA 0.940 5.461 4.527 -0.010 0.000 0.315 711 F C -0.009 175.836 175.800 0.075 0.000 1.126 711 F CA -0.667 57.393 58.000 0.100 0.000 0.950 711 F CB 1.060 40.133 39.000 0.121 0.000 1.360 711 F HN 0.768 nan 8.300 nan 0.000 0.469 712 G N 1.020 109.875 108.800 0.092 0.000 2.685 712 G HA2 -0.059 3.895 3.960 -0.009 0.000 0.387 712 G HA3 -0.059 3.895 3.960 -0.009 0.000 0.387 712 G C -0.961 173.910 174.900 -0.048 0.000 1.324 712 G CA -0.663 44.434 45.100 -0.004 0.000 0.878 712 G HN 0.950 nan 8.290 nan 0.000 0.527 713 M N 0.909 120.491 119.600 -0.029 0.000 2.249 713 M HA 0.226 4.700 4.480 -0.009 0.000 0.340 713 M C 1.206 177.471 176.300 -0.057 0.000 1.166 713 M CA -0.000 55.289 55.300 -0.018 0.000 1.115 713 M CB 0.323 32.921 32.600 -0.002 0.000 1.606 713 M HN 0.511 nan 8.290 nan 0.000 0.448 714 R N 1.766 122.246 120.500 -0.034 0.000 2.546 714 R HA 0.238 4.572 4.340 -0.009 0.000 0.266 714 R C 1.231 177.513 176.300 -0.030 0.000 1.086 714 R CA -0.524 55.552 56.100 -0.041 0.000 1.160 714 R CB -0.031 30.252 30.300 -0.029 0.000 1.138 714 R HN 0.581 nan 8.270 nan 0.000 0.567 715 V N 1.597 121.492 119.914 -0.032 0.000 2.278 715 V HA -0.305 3.810 4.120 -0.009 0.000 0.251 715 V C 1.921 178.005 176.094 -0.016 0.000 1.062 715 V CA 2.175 64.461 62.300 -0.025 0.000 1.038 715 V CB -0.478 31.329 31.823 -0.027 0.000 0.646 715 V HN 0.643 nan 8.190 nan 0.000 0.447 716 E N 0.141 120.333 120.200 -0.013 0.000 2.118 716 E HA -0.196 4.148 4.350 -0.009 0.000 0.195 716 E C 1.958 178.562 176.600 0.006 0.000 0.992 716 E CA 1.497 57.894 56.400 -0.005 0.000 0.804 716 E CB -0.385 29.312 29.700 -0.004 0.000 0.741 716 E HN 0.648 nan 8.360 nan 0.000 0.458 717 D N -0.174 120.231 120.400 0.009 0.000 2.144 717 D HA -0.096 4.539 4.640 -0.009 0.000 0.200 717 D C 2.003 178.320 176.300 0.027 0.000 0.978 717 D CA 0.830 54.846 54.000 0.026 0.000 0.833 717 D CB -0.132 40.687 40.800 0.032 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.902 121.820 119.914 0.006 0.000 2.343 718 V HA -0.217 3.898 4.120 -0.009 0.000 0.247 718 V C 2.006 178.101 176.094 0.001 0.000 1.051 718 V CA 1.689 63.985 62.300 -0.006 0.000 1.036 718 V CB -0.424 31.385 31.823 -0.022 0.000 0.654 718 V HN 0.030 nan 8.190 nan 0.000 0.451 719 D N -0.071 120.330 120.400 0.001 0.000 2.104 719 D HA -0.168 4.467 4.640 -0.009 0.000 0.194 719 D C 2.416 178.727 176.300 0.019 0.000 0.994 719 D CA 1.348 55.350 54.000 0.004 0.000 0.830 719 D CB -0.269 40.531 40.800 -0.002 0.000 0.959 719 D HN 0.334 nan 8.370 nan 0.000 0.452 720 R N 0.065 120.581 120.500 0.027 0.000 2.091 720 R HA -0.047 4.287 4.340 -0.009 0.000 0.238 720 R C 2.509 178.844 176.300 0.058 0.000 1.136 720 R CA 0.575 56.698 56.100 0.039 0.000 0.959 720 R CB -0.352 29.973 30.300 0.042 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.437 721 L N 0.501 121.768 121.223 0.073 0.000 2.056 721 L HA -0.202 4.133 4.340 -0.009 0.000 0.207 721 L C 1.450 178.385 176.870 0.108 0.000 1.078 721 L CA 1.340 56.249 54.840 0.116 0.000 0.749 721 L CB -0.266 41.877 42.059 0.140 0.000 0.901 721 L HN 0.237 nan 8.230 nan 0.000 0.433 722 D N -0.517 119.921 120.400 0.063 0.000 2.144 722 D HA -0.207 4.427 4.640 -0.009 0.000 0.199 722 D C 2.209 178.538 176.300 0.049 0.000 0.984 722 D CA 1.087 55.117 54.000 0.050 0.000 0.834 722 D CB 0.009 40.818 40.800 0.015 0.000 0.955 722 D HN 0.446 nan 8.370 nan 0.000 0.465 723 Q N -0.088 119.737 119.800 0.043 0.000 2.119 723 Q HA -0.043 4.291 4.340 -0.009 0.000 0.201 723 Q C 2.209 178.235 176.000 0.043 0.000 0.972 723 Q CA 0.731 56.555 55.803 0.036 0.000 0.847 723 Q CB 0.100 28.856 28.738 0.029 0.000 0.903 723 Q HN 0.123 nan 8.270 nan 0.000 0.433 724 R N -0.335 120.198 120.500 0.056 0.000 2.119 724 R HA 0.029 4.364 4.340 -0.009 0.000 0.222 724 R C -0.114 176.225 176.300 0.065 0.000 1.088 724 R CA 0.808 56.942 56.100 0.057 0.000 0.984 724 R CB 0.301 30.641 30.300 0.067 0.000 0.884 724 R HN 0.273 nan 8.270 nan 0.000 0.447 725 G N -0.105 108.747 108.800 0.087 0.000 3.209 725 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.686 725 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.686 725 G C -1.392 173.602 174.900 0.157 0.000 1.065 725 G CA -0.428 44.733 45.100 0.102 0.000 0.812 725 G HN 0.264 nan 8.290 nan 0.000 0.573 726 Y N 3.123 123.454 120.300 0.051 0.000 2.436 726 Y HA 0.602 5.146 4.550 -0.009 0.000 0.343 726 Y C 0.263 176.215 175.900 0.086 0.000 1.008 726 Y CA -1.272 56.877 58.100 0.081 0.000 1.241 726 Y CB 1.185 39.676 38.460 0.051 0.000 1.153 726 Y HN 0.625 nan 8.280 nan 0.000 0.521 727 N N 4.906 123.396 118.700 -0.349 0.000 2.621 727 N HA 0.337 5.071 4.740 -0.009 0.000 0.237 727 N C 0.332 175.600 175.510 -0.403 0.000 0.997 727 N CA 0.265 53.117 53.050 -0.331 0.000 0.918 727 N CB 1.109 39.522 38.487 -0.123 0.000 1.122 727 N HN 0.776 nan 8.380 nan 0.000 0.510 728 A N 2.809 125.293 122.820 -0.560 0.000 1.972 728 A HA -0.203 4.111 4.320 -0.009 0.000 0.219 728 A C 1.887 179.601 177.584 0.217 0.000 1.169 728 A CA 1.516 53.452 52.037 -0.169 0.000 0.635 728 A CB -0.481 18.349 19.000 -0.284 0.000 0.810 728 A HN 0.714 nan 8.150 nan 0.000 0.446 729 Q N 0.150 119.969 119.800 0.032 0.000 2.135 729 Q HA -0.231 4.103 4.340 -0.009 0.000 0.204 729 Q C 1.891 177.963 176.000 0.120 0.000 0.981 729 Q CA 2.232 58.075 55.803 0.068 0.000 0.856 729 Q CB -0.335 28.393 28.738 -0.016 0.000 0.902 729 Q HN 0.775 nan 8.270 nan 0.000 0.425 730 E N -1.335 118.876 120.200 0.017 0.000 2.070 730 E HA -0.247 4.098 4.350 -0.009 0.000 0.197 730 E C 1.576 178.101 176.600 -0.125 0.000 1.004 730 E CA 1.562 57.899 56.400 -0.106 0.000 0.805 730 E CB -0.218 29.321 29.700 -0.269 0.000 0.744 730 E HN 0.587 nan 8.360 nan 0.000 0.451 731 Y N -1.096 119.266 120.300 0.102 0.000 2.200 731 Y HA -0.218 4.326 4.550 -0.009 0.000 0.290 731 Y C 2.239 178.126 175.900 -0.023 0.000 1.137 731 Y CA 1.543 59.688 58.100 0.076 0.000 1.163 731 Y CB -0.709 37.851 38.460 0.167 0.000 0.988 731 Y HN 0.236 nan 8.280 nan 0.000 0.518 732 Y N 1.339 121.654 120.300 0.026 0.000 2.165 732 Y HA -0.285 4.260 4.550 -0.009 0.000 0.286 732 Y C 1.780 177.639 175.900 -0.067 0.000 1.155 732 Y CA 1.896 59.936 58.100 -0.100 0.000 1.164 732 Y CB -0.372 38.082 38.460 -0.010 0.000 0.978 732 Y HN 0.091 nan 8.280 nan 0.000 0.513 733 D N -0.487 119.984 120.400 0.118 0.000 2.224 733 D HA -0.071 4.563 4.640 -0.009 0.000 0.205 733 D C 1.827 178.093 176.300 -0.056 0.000 0.965 733 D CA 1.067 55.085 54.000 0.030 0.000 0.852 733 D CB -0.053 40.789 40.800 0.071 0.000 0.947 733 D HN 0.485 nan 8.370 nan 0.000 0.494 734 R N -0.238 120.229 120.500 -0.055 0.000 2.308 734 R HA 0.283 4.618 4.340 -0.009 0.000 0.202 734 R C 0.363 176.637 176.300 -0.043 0.000 0.898 734 R CA 0.081 56.152 56.100 -0.049 0.000 1.046 734 R CB 1.194 31.464 30.300 -0.050 0.000 1.026 734 R HN 0.134 nan 8.270 nan 0.000 0.512 735 I N 2.246 122.772 120.570 -0.074 0.000 2.437 735 I HA 0.231 4.396 4.170 -0.009 0.000 0.279 735 I C -1.955 174.070 176.117 -0.153 0.000 1.028 735 I CA -2.316 58.947 61.300 -0.062 0.000 1.142 735 I CB 2.103 40.105 38.000 0.003 0.000 1.266 735 I HN -0.298 nan 8.210 nan 0.000 0.461 736 P HA -0.160 nan 4.420 nan 0.000 0.216 736 P C 1.203 178.413 177.300 -0.150 0.000 1.150 736 P CA 1.347 64.358 63.100 -0.148 0.000 0.837 736 P CB 0.304 31.948 31.700 -0.093 0.000 0.786 737 E N -1.034 119.114 120.200 -0.085 0.000 2.153 737 E HA -0.162 4.183 4.350 -0.009 0.000 0.194 737 E C 1.851 178.363 176.600 -0.148 0.000 0.988 737 E CA 0.682 57.049 56.400 -0.055 0.000 0.811 737 E CB -0.550 29.187 29.700 0.062 0.000 0.746 737 E HN 0.131 nan 8.360 nan 0.000 0.466 738 L N 1.182 122.231 121.223 -0.290 0.000 2.072 738 L HA -0.121 4.214 4.340 -0.009 0.000 0.205 738 L C 2.399 179.009 176.870 -0.434 0.000 1.079 738 L CA 1.578 56.084 54.840 -0.556 0.000 0.752 738 L CB -0.281 41.294 42.059 -0.807 0.000 0.906 738 L HN -0.093 nan 8.230 nan 0.000 0.436 739 R N -0.800 119.418 120.500 -0.470 0.000 2.091 739 R HA -0.253 4.081 4.340 -0.009 0.000 0.238 739 R C 2.388 178.531 176.300 -0.262 0.000 1.136 739 R CA 2.058 57.810 56.100 -0.580 0.000 0.959 739 R CB -0.377 29.481 30.300 -0.737 0.000 0.856 739 R HN 0.609 nan 8.270 nan 0.000 0.437 740 Q N 0.447 120.126 119.800 -0.202 0.000 2.061 740 Q HA -0.192 4.143 4.340 -0.009 0.000 0.204 740 Q C 2.105 178.056 176.000 -0.081 0.000 0.984 740 Q CA 2.087 57.814 55.803 -0.125 0.000 0.846 740 Q CB -0.129 28.537 28.738 -0.121 0.000 0.902 740 Q HN 0.488 nan 8.270 nan 0.000 0.421 741 I N 0.674 121.195 120.570 -0.082 0.000 2.179 741 I HA -0.296 3.869 4.170 -0.009 0.000 0.242 741 I C 2.159 178.301 176.117 0.042 0.000 1.088 741 I CA 0.718 62.009 61.300 -0.015 0.000 1.357 741 I CB -0.337 37.629 38.000 -0.056 0.000 1.051 741 I HN 0.316 nan 8.210 nan 0.000 0.409 742 I N 0.808 121.400 120.570 0.037 0.000 2.286 742 I HA -0.245 3.920 4.170 -0.009 0.000 0.248 742 I C 2.441 178.655 176.117 0.161 0.000 1.115 742 I CA 1.674 63.061 61.300 0.146 0.000 1.392 742 I CB -1.294 36.874 38.000 0.280 0.000 1.065 742 I HN 0.348 nan 8.210 nan 0.000 0.418 743 E N 0.394 120.669 120.200 0.125 0.000 2.077 743 E HA -0.235 4.109 4.350 -0.009 0.000 0.193 743 E C 2.199 178.862 176.600 0.104 0.000 0.989 743 E CA 0.982 57.448 56.400 0.109 0.000 0.800 743 E CB -0.108 29.627 29.700 0.058 0.000 0.746 743 E HN 0.567 nan 8.360 nan 0.000 0.452 744 Q N 0.441 120.287 119.800 0.077 0.000 2.050 744 Q HA -0.151 4.183 4.340 -0.009 0.000 0.202 744 Q C 2.365 178.545 176.000 0.301 0.000 0.980 744 Q CA 1.084 56.952 55.803 0.108 0.000 0.840 744 Q CB -0.085 28.647 28.738 -0.009 0.000 0.898 744 Q HN 0.301 nan 8.270 nan 0.000 0.424 745 L N -0.017 121.391 121.223 0.307 0.000 2.017 745 L HA -0.210 4.124 4.340 -0.009 0.000 0.208 745 L C 2.468 179.520 176.870 0.303 0.000 1.073 745 L CA 1.068 56.104 54.840 0.327 0.000 0.745 745 L CB -0.412 41.755 42.059 0.180 0.000 0.894 745 L HN 0.159 nan 8.230 nan 0.000 0.432 746 S N -0.308 115.526 115.700 0.223 0.000 2.368 746 S HA -0.154 4.311 4.470 -0.009 0.000 0.224 746 S C 2.100 176.802 174.600 0.170 0.000 1.029 746 S CA 1.536 59.847 58.200 0.185 0.000 0.988 746 S CB -0.229 63.059 63.200 0.147 0.000 0.838 746 S HN 0.612 nan 8.310 nan 0.000 0.462 747 S N 0.406 116.207 115.700 0.169 0.000 2.489 747 S HA 0.298 4.762 4.470 -0.009 0.000 0.228 747 S C 1.457 176.149 174.600 0.152 0.000 0.995 747 S CA 0.772 59.057 58.200 0.142 0.000 0.934 747 S CB -0.090 63.187 63.200 0.128 0.000 0.771 747 S HN 0.836 nan 8.310 nan 0.000 0.522 748 G N 0.459 109.382 108.800 0.205 0.000 2.134 748 G HA2 -0.266 3.688 3.960 -0.009 0.000 0.209 748 G HA3 -0.266 3.688 3.960 -0.009 0.000 0.209 748 G C 0.188 175.187 174.900 0.165 0.000 0.993 748 G CA 0.084 45.297 45.100 0.187 0.000 0.669 748 G HN 0.499 nan 8.290 nan 0.000 0.519 749 F N 0.289 120.249 119.950 0.016 0.000 2.202 749 F HA 0.158 4.679 4.527 -0.009 0.000 0.301 749 F C 1.865 177.477 175.800 -0.314 0.000 1.082 749 F CA 2.012 59.901 58.000 -0.185 0.000 1.313 749 F CB -0.042 38.770 39.000 -0.314 0.000 1.024 749 F HN 0.182 nan 8.300 nan 0.000 0.495 750 F N -0.424 119.662 119.950 0.226 0.000 2.727 750 F HA 0.196 4.718 4.527 -0.009 0.000 0.302 750 F C 0.650 176.562 175.800 0.187 0.000 1.097 750 F CA 0.266 58.357 58.000 0.151 0.000 1.330 750 F CB -0.078 39.014 39.000 0.154 0.000 1.084 750 F HN -0.036 nan 8.300 nan 0.000 0.578 751 S N -1.934 113.916 115.700 0.250 0.000 2.564 751 S HA 0.309 4.773 4.470 -0.009 0.000 0.141 751 S C -2.467 172.154 174.600 0.034 0.000 1.474 751 S CA -0.978 57.295 58.200 0.121 0.000 1.236 751 S CB 0.837 64.069 63.200 0.052 0.000 1.481 751 S HN -0.182 nan 8.310 nan 0.000 0.397 752 P HA -0.083 nan 4.420 nan 0.000 0.216 752 P C 1.152 178.442 177.300 -0.016 0.000 1.150 752 P CA 1.251 64.329 63.100 -0.036 0.000 0.837 752 P CB 0.102 31.755 31.700 -0.079 0.000 0.786 753 K N -1.082 119.308 120.400 -0.015 0.000 2.296 753 K HA -0.008 4.306 4.320 -0.009 0.000 0.200 753 K C 0.630 177.228 176.600 -0.004 0.000 1.048 753 K CA 0.807 57.088 56.287 -0.009 0.000 0.966 753 K CB 0.015 32.510 32.500 -0.008 0.000 0.754 753 K HN 0.310 nan 8.250 nan 0.000 0.466 754 Q N -0.090 119.705 119.800 -0.008 0.000 2.932 754 Q HA 0.151 4.485 4.340 -0.009 0.000 0.248 754 Q C -2.335 173.657 176.000 -0.013 0.000 0.982 754 Q CA -1.651 54.143 55.803 -0.014 0.000 0.730 754 Q CB 1.585 30.307 28.738 -0.028 0.000 1.249 754 Q HN -0.087 nan 8.270 nan 0.000 0.476 755 P HA -0.217 nan 4.420 nan 0.000 0.217 755 P C 0.556 177.891 177.300 0.058 0.000 1.148 755 P CA 1.445 64.572 63.100 0.045 0.000 0.828 755 P CB 0.219 31.945 31.700 0.044 0.000 0.783 756 D N -1.459 118.959 120.400 0.031 0.000 2.388 756 D HA 0.007 4.641 4.640 -0.009 0.000 0.221 756 D C 1.558 177.858 176.300 0.000 0.000 1.133 756 D CA -0.303 53.723 54.000 0.044 0.000 0.831 756 D CB -0.681 40.146 40.800 0.045 0.000 0.962 756 D HN 0.019 nan 8.370 nan 0.000 0.502 757 L N -0.074 121.084 121.223 -0.109 0.000 2.043 757 L HA -0.072 4.262 4.340 -0.009 0.000 0.212 757 L C 1.217 177.890 176.870 -0.328 0.000 1.075 757 L CA 1.722 56.380 54.840 -0.303 0.000 0.752 757 L CB -0.590 41.098 42.059 -0.618 0.000 0.891 757 L HN -0.003 nan 8.230 nan 0.000 0.432 758 F N -0.635 119.372 119.950 0.094 0.000 2.645 758 F HA 0.121 4.643 4.527 -0.009 0.000 0.300 758 F C 1.868 177.721 175.800 0.087 0.000 1.115 758 F CA -0.101 57.944 58.000 0.075 0.000 1.355 758 F CB -0.313 38.721 39.000 0.056 0.000 1.026 758 F HN 0.117 nan 8.300 nan 0.000 0.536 759 K N -0.349 120.172 120.400 0.201 0.000 2.103 759 K HA -0.185 4.130 4.320 -0.009 0.000 0.207 759 K C 1.007 177.711 176.600 0.173 0.000 1.048 759 K CA 1.941 58.329 56.287 0.169 0.000 0.930 759 K CB -0.261 32.313 32.500 0.124 0.000 0.716 759 K HN 0.059 nan 8.250 nan 0.000 0.444 760 D N 1.318 121.830 120.400 0.187 0.000 2.117 760 D HA -0.096 4.539 4.640 -0.009 0.000 0.197 760 D C 2.017 178.426 176.300 0.182 0.000 0.987 760 D CA 1.161 55.280 54.000 0.199 0.000 0.829 760 D CB -0.128 40.825 40.800 0.256 0.000 0.961 760 D HN 0.303 nan 8.370 nan 0.000 0.460 761 I N 0.364 121.041 120.570 0.180 0.000 2.179 761 I HA -0.220 3.944 4.170 -0.009 0.000 0.242 761 I C 2.415 178.595 176.117 0.104 0.000 1.088 761 I CA 0.611 61.988 61.300 0.128 0.000 1.357 761 I CB -0.211 37.856 38.000 0.112 0.000 1.051 761 I HN -0.108 nan 8.210 nan 0.000 0.409 762 V N 1.250 121.242 119.914 0.129 0.000 2.295 762 V HA -0.271 3.843 4.120 -0.009 0.000 0.246 762 V C 2.175 178.300 176.094 0.051 0.000 1.049 762 V CA 1.918 64.279 62.300 0.101 0.000 1.024 762 V CB -0.859 31.040 31.823 0.127 0.000 0.648 762 V HN 0.448 nan 8.190 nan 0.000 0.447 763 N N -0.369 118.395 118.700 0.106 0.000 2.166 763 N HA -0.150 4.585 4.740 -0.009 0.000 0.186 763 N C 1.789 177.368 175.510 0.115 0.000 1.019 763 N CA 1.474 54.614 53.050 0.150 0.000 0.856 763 N CB -0.411 38.216 38.487 0.233 0.000 0.993 763 N HN 0.358 nan 8.380 nan 0.000 0.426 764 M N 0.364 120.048 119.600 0.139 0.000 2.086 764 M HA -0.092 4.382 4.480 -0.009 0.000 0.261 764 M C 1.461 177.750 176.300 -0.018 0.000 1.067 764 M CA 1.189 56.575 55.300 0.142 0.000 1.116 764 M CB -0.450 32.242 32.600 0.154 0.000 1.348 764 M HN -0.009 nan 8.290 nan 0.000 0.407 765 L N 0.724 121.888 121.223 -0.098 0.000 2.042 765 L HA -0.209 4.126 4.340 -0.009 0.000 0.210 765 L C 2.447 179.026 176.870 -0.485 0.000 1.076 765 L CA 1.636 56.282 54.840 -0.322 0.000 0.749 765 L CB -1.106 40.791 42.059 -0.269 0.000 0.893 765 L HN 0.343 nan 8.230 nan 0.000 0.432 766 M N -1.867 117.496 119.600 -0.395 0.000 2.288 766 M HA -0.067 4.407 4.480 -0.009 0.000 0.266 766 M C 1.772 177.627 176.300 -0.743 0.000 1.072 766 M CA 1.457 56.401 55.300 -0.594 0.000 1.132 766 M CB -0.761 31.368 32.600 -0.785 0.000 1.386 766 M HN 0.351 nan 8.290 nan 0.000 0.432 767 H N -2.871 116.026 119.070 -0.288 0.000 3.400 767 H HA 0.245 4.796 4.556 -0.009 0.000 0.251 767 H C 0.218 175.212 175.328 -0.557 0.000 1.040 767 H CA 0.433 56.185 56.048 -0.493 0.000 1.175 767 H CB 0.360 29.677 29.762 -0.742 0.000 1.487 767 H HN 0.520 nan 8.280 nan 0.000 0.505 768 H N 0.206 119.330 119.070 0.089 0.000 2.767 768 H HA 0.144 4.694 4.556 -0.009 0.000 0.235 768 H C -0.666 174.681 175.328 0.032 0.000 1.256 768 H CA -0.318 55.771 56.048 0.069 0.000 0.957 768 H CB 0.959 30.767 29.762 0.077 0.000 2.117 768 H HN -0.018 nan 8.280 nan 0.000 0.602 769 D N 1.121 121.577 120.400 0.093 0.000 2.411 769 D HA 0.093 4.728 4.640 -0.009 0.000 0.225 769 D C 0.997 177.243 176.300 -0.090 0.000 1.156 769 D CA -0.265 53.754 54.000 0.033 0.000 0.874 769 D CB 0.602 41.402 40.800 -0.000 0.000 1.034 769 D HN 0.300 nan 8.370 nan 0.000 0.502 770 R N 2.255 122.595 120.500 -0.266 0.000 2.241 770 R HA -0.060 4.275 4.340 -0.009 0.000 0.224 770 R C 0.594 176.388 176.300 -0.843 0.000 1.101 770 R CA 0.938 56.651 56.100 -0.645 0.000 0.995 770 R CB 0.070 29.749 30.300 -1.034 0.000 0.870 770 R HN 0.413 nan 8.270 nan 0.000 0.463 771 F N 0.191 120.094 119.950 -0.080 0.000 2.661 771 F HA 0.280 4.802 4.527 -0.009 0.000 0.306 771 F C 0.038 175.719 175.800 -0.199 0.000 1.094 771 F CA -0.702 57.240 58.000 -0.096 0.000 1.254 771 F CB 0.248 39.249 39.000 0.002 0.000 1.040 771 F HN -0.252 nan 8.300 nan 0.000 0.562 772 K N -0.278 119.941 120.400 -0.302 0.000 3.148 772 K HA -0.174 4.140 4.320 -0.009 0.000 0.267 772 K C 0.979 177.465 176.600 -0.191 0.000 0.996 772 K CA 0.195 56.126 56.287 -0.593 0.000 0.737 772 K CB -1.847 30.226 32.500 -0.713 0.000 1.308 772 K HN 0.207 nan 8.250 nan 0.000 0.470 773 V N 0.019 119.895 119.914 -0.062 0.000 2.287 773 V HA -0.294 3.821 4.120 -0.009 0.000 0.248 773 V C 1.965 178.193 176.094 0.224 0.000 1.053 773 V CA 2.352 64.692 62.300 0.066 0.000 1.027 773 V CB -0.501 31.359 31.823 0.062 0.000 0.646 773 V HN 0.494 nan 8.190 nan 0.000 0.447 774 F N 0.197 120.154 119.950 0.010 0.000 2.216 774 F HA -0.190 4.332 4.527 -0.009 0.000 0.300 774 F C 2.528 178.119 175.800 -0.348 0.000 1.085 774 F CA 0.653 58.600 58.000 -0.089 0.000 1.326 774 F CB -0.383 38.577 39.000 -0.068 0.000 1.027 774 F HN 0.207 nan 8.300 nan 0.000 0.497 775 A N -0.421 122.238 122.820 -0.269 0.000 2.019 775 A HA -0.191 4.123 4.320 -0.009 0.000 0.219 775 A C 1.478 179.052 177.584 -0.017 0.000 1.164 775 A CA 1.831 53.621 52.037 -0.412 0.000 0.644 775 A CB -0.458 18.451 19.000 -0.153 0.000 0.805 775 A HN 0.224 nan 8.150 nan 0.000 0.449 776 D N -2.711 117.742 120.400 0.089 0.000 2.349 776 D HA 0.079 4.713 4.640 -0.009 0.000 0.214 776 D C 1.183 177.645 176.300 0.270 0.000 1.063 776 D CA 0.018 54.147 54.000 0.216 0.000 0.847 776 D CB -0.131 40.818 40.800 0.247 0.000 0.933 776 D HN 0.602 nan 8.370 nan 0.000 0.513 777 Y N 1.944 122.323 120.300 0.131 0.000 2.097 777 Y HA -0.241 4.304 4.550 -0.009 0.000 0.282 777 Y C 2.269 178.250 175.900 0.136 0.000 1.152 777 Y CA 2.032 60.219 58.100 0.145 0.000 1.136 777 Y CB 0.132 38.650 38.460 0.097 0.000 0.975 777 Y HN -0.105 nan 8.280 nan 0.000 0.498 778 E N -0.007 120.258 120.200 0.110 0.000 2.058 778 E HA -0.252 4.093 4.350 -0.009 0.000 0.194 778 E C 2.219 178.788 176.600 -0.052 0.000 0.997 778 E CA 1.657 58.052 56.400 -0.009 0.000 0.801 778 E CB -0.182 29.616 29.700 0.163 0.000 0.746 778 E HN 0.603 nan 8.360 nan 0.000 0.450 779 E N -0.656 119.589 120.200 0.074 0.000 2.110 779 E HA -0.218 4.127 4.350 -0.009 0.000 0.193 779 E C 1.886 178.479 176.600 -0.012 0.000 0.988 779 E CA 0.964 57.430 56.400 0.110 0.000 0.804 779 E CB -0.159 29.701 29.700 0.267 0.000 0.745 779 E HN 0.350 nan 8.360 nan 0.000 0.458 780 Y N 1.159 121.264 120.300 -0.326 0.000 2.145 780 Y HA -0.219 4.325 4.550 -0.009 0.000 0.286 780 Y C 2.130 177.643 175.900 -0.646 0.000 1.145 780 Y CA 1.006 58.596 58.100 -0.850 0.000 1.148 780 Y CB -0.486 37.507 38.460 -0.778 0.000 0.981 780 Y HN -0.202 nan 8.280 nan 0.000 0.507 781 V N 0.857 120.418 119.914 -0.588 0.000 2.295 781 V HA -0.332 3.783 4.120 -0.009 0.000 0.246 781 V C 2.335 178.202 176.094 -0.379 0.000 1.049 781 V CA 2.369 64.341 62.300 -0.547 0.000 1.024 781 V CB -0.623 30.905 31.823 -0.492 0.000 0.648 781 V HN 0.330 nan 8.190 nan 0.000 0.447 782 K N -0.844 119.401 120.400 -0.257 0.000 2.026 782 K HA -0.235 4.080 4.320 -0.009 0.000 0.208 782 K C 2.315 178.826 176.600 -0.148 0.000 1.048 782 K CA 1.788 57.988 56.287 -0.145 0.000 0.929 782 K CB -0.679 31.784 32.500 -0.062 0.000 0.713 782 K HN 0.530 nan 8.250 nan 0.000 0.439 783 C N 1.656 120.846 119.300 -0.183 0.000 2.413 783 C HA -0.120 4.334 4.460 -0.009 0.000 0.276 783 C C 2.706 177.522 174.990 -0.291 0.000 1.248 783 C CA 0.927 59.866 59.018 -0.132 0.000 1.742 783 C CB -0.704 26.979 27.740 -0.096 0.000 2.017 783 C HN 0.430 nan 8.230 nan 0.000 0.481 784 Q N 0.343 119.825 119.800 -0.530 0.000 2.170 784 Q HA -0.179 4.155 4.340 -0.009 0.000 0.203 784 Q C 1.980 177.784 176.000 -0.328 0.000 0.976 784 Q CA 1.652 57.098 55.803 -0.594 0.000 0.858 784 Q CB -0.425 27.714 28.738 -0.999 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.155 120.222 120.200 -0.221 0.000 2.106 785 E HA -0.137 4.208 4.350 -0.009 0.000 0.192 785 E C 2.060 178.625 176.600 -0.059 0.000 0.984 785 E CA 0.588 56.923 56.400 -0.109 0.000 0.806 785 E CB 0.011 29.666 29.700 -0.074 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.458 786 R N 0.351 120.825 120.500 -0.042 0.000 2.115 786 R HA -0.053 4.282 4.340 -0.009 0.000 0.226 786 R C 2.403 178.748 176.300 0.076 0.000 1.100 786 R CA 0.731 56.884 56.100 0.088 0.000 0.980 786 R CB -0.232 30.193 30.300 0.209 0.000 0.875 786 R HN 0.056 nan 8.270 nan 0.000 0.445 787 V N 0.727 120.465 119.914 -0.293 0.000 2.295 787 V HA -0.258 3.857 4.120 -0.009 0.000 0.246 787 V C 2.208 178.296 176.094 -0.010 0.000 1.049 787 V CA 2.019 64.036 62.300 -0.472 0.000 1.024 787 V CB -0.424 30.983 31.823 -0.693 0.000 0.648 787 V HN 0.277 nan 8.190 nan 0.000 0.447 788 S N 0.012 115.672 115.700 -0.067 0.000 2.370 788 S HA -0.194 4.270 4.470 -0.009 0.000 0.226 788 S C 2.229 176.890 174.600 0.103 0.000 1.033 788 S CA 1.435 59.630 58.200 -0.009 0.000 1.011 788 S CB -0.556 62.611 63.200 -0.055 0.000 0.852 788 S HN 0.657 nan 8.310 nan 0.000 0.457 789 A N 1.545 124.430 122.820 0.108 0.000 1.883 789 A HA -0.076 4.239 4.320 -0.009 0.000 0.217 789 A C 2.111 179.816 177.584 0.202 0.000 1.186 789 A CA 1.305 53.427 52.037 0.141 0.000 0.624 789 A CB -0.840 18.233 19.000 0.123 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.444 790 L N -2.093 119.313 121.223 0.305 0.000 2.141 790 L HA -0.159 4.175 4.340 -0.009 0.000 0.209 790 L C 2.460 179.613 176.870 0.472 0.000 1.094 790 L CA 1.868 56.960 54.840 0.419 0.000 0.763 790 L CB -0.416 42.002 42.059 0.599 0.000 0.908 790 L HN 0.630 nan 8.230 nan 0.000 0.437 791 Y N 0.855 121.294 120.300 0.232 0.000 2.352 791 Y HA -0.221 4.324 4.550 -0.008 0.000 0.292 791 Y C 2.409 178.250 175.900 -0.099 0.000 1.136 791 Y CA 1.411 59.402 58.100 -0.181 0.000 1.227 791 Y CB -0.004 38.106 38.460 -0.583 0.000 0.991 791 Y HN 0.060 nan 8.280 nan 0.000 0.545 792 K N -0.081 120.376 120.400 0.096 0.000 2.360 792 K HA -0.159 4.155 4.320 -0.009 0.000 0.201 792 K C 0.388 176.980 176.600 -0.013 0.000 1.046 792 K CA 0.890 57.209 56.287 0.052 0.000 0.945 792 K CB -0.126 32.439 32.500 0.109 0.000 0.750 792 K HN 0.063 nan 8.250 nan 0.000 0.464 793 N N 0.457 119.166 118.700 0.014 0.000 2.936 793 N HA 0.127 4.861 4.740 -0.009 0.000 0.243 793 N C -2.413 173.103 175.510 0.010 0.000 1.149 793 N CA -2.265 50.795 53.050 0.018 0.000 0.914 793 N CB 1.174 39.701 38.487 0.066 0.000 1.179 793 N HN -0.190 nan 8.380 nan 0.000 0.502 794 P HA -0.160 nan 4.420 nan 0.000 0.216 794 P C 1.372 178.682 177.300 0.017 0.000 1.150 794 P CA 1.048 64.078 63.100 -0.117 0.000 0.843 794 P CB 0.414 32.016 31.700 -0.163 0.000 0.787 795 R N 0.070 120.580 120.500 0.016 0.000 2.075 795 R HA -0.137 4.197 4.340 -0.009 0.000 0.232 795 R C 1.921 178.260 176.300 0.065 0.000 1.126 795 R CA 1.349 57.470 56.100 0.034 0.000 0.963 795 R CB -0.313 29.998 30.300 0.019 0.000 0.858 795 R HN 0.078 nan 8.270 nan 0.000 0.435 796 E N -0.068 120.181 120.200 0.082 0.000 2.158 796 E HA -0.205 4.140 4.350 -0.009 0.000 0.191 796 E C 1.587 178.259 176.600 0.121 0.000 0.982 796 E CA 0.532 56.984 56.400 0.086 0.000 0.823 796 E CB -0.425 29.323 29.700 0.081 0.000 0.766 796 E HN 0.496 nan 8.360 nan 0.000 0.468 797 W N 2.244 123.540 121.300 -0.006 0.000 2.333 797 W HA -0.220 4.433 4.660 -0.010 0.000 0.316 797 W C 1.650 178.172 176.519 0.006 0.000 1.215 797 W CA 2.251 59.605 57.345 0.014 0.000 1.278 797 W CB -0.448 28.985 29.460 -0.044 0.000 1.154 797 W HN 0.042 nan 8.180 nan 0.000 0.486 798 T N 1.095 115.775 114.554 0.210 0.000 2.788 798 T HA -0.172 4.173 4.350 -0.009 0.000 0.268 798 T C 1.835 176.540 174.700 0.009 0.000 1.044 798 T CA 1.734 63.891 62.100 0.095 0.000 1.139 798 T CB -0.311 68.601 68.868 0.074 0.000 0.867 798 T HN 0.183 nan 8.240 nan 0.000 0.454 799 R N 0.460 120.972 120.500 0.020 0.000 2.096 799 R HA 0.079 4.414 4.340 -0.009 0.000 0.235 799 R C 2.514 178.800 176.300 -0.022 0.000 1.127 799 R CA 1.231 57.342 56.100 0.018 0.000 0.968 799 R CB -0.347 29.970 30.300 0.029 0.000 0.861 799 R HN 0.361 nan 8.270 nan 0.000 0.440 800 M N 0.503 120.052 119.600 -0.084 0.000 2.132 800 M HA -0.151 4.324 4.480 -0.009 0.000 0.263 800 M C 1.966 178.171 176.300 -0.158 0.000 1.065 800 M CA 1.412 56.624 55.300 -0.146 0.000 1.122 800 M CB 0.133 32.588 32.600 -0.242 0.000 1.365 800 M HN -0.007 nan 8.290 nan 0.000 0.411 801 V N 1.030 120.825 119.914 -0.198 0.000 2.252 801 V HA -0.335 3.779 4.120 -0.009 0.000 0.249 801 V C 2.217 178.290 176.094 -0.034 0.000 1.056 801 V CA 2.213 64.433 62.300 -0.133 0.000 1.022 801 V CB -0.677 31.088 31.823 -0.097 0.000 0.641 801 V HN 0.516 nan 8.190 nan 0.000 0.445 802 I N -0.533 120.039 120.570 0.004 0.000 2.264 802 I HA -0.283 3.881 4.170 -0.009 0.000 0.248 802 I C 2.691 178.857 176.117 0.081 0.000 1.111 802 I CA 1.664 63.016 61.300 0.087 0.000 1.382 802 I CB -0.450 37.656 38.000 0.177 0.000 1.060 802 I HN 0.228 nan 8.210 nan 0.000 0.418 803 R N 0.426 120.950 120.500 0.040 0.000 2.148 803 R HA -0.103 4.231 4.340 -0.009 0.000 0.227 803 R C 2.030 178.358 176.300 0.047 0.000 1.103 803 R CA 1.146 57.267 56.100 0.037 0.000 0.983 803 R CB -0.419 29.886 30.300 0.009 0.000 0.874 803 R HN 0.538 nan 8.270 nan 0.000 0.451 804 N N 0.696 119.416 118.700 0.034 0.000 2.109 804 N HA -0.078 4.656 4.740 -0.009 0.000 0.188 804 N C 1.966 177.530 175.510 0.089 0.000 1.034 804 N CA 1.100 54.189 53.050 0.066 0.000 0.846 804 N CB -0.037 38.463 38.487 0.022 0.000 1.010 804 N HN 0.112 nan 8.380 nan 0.000 0.425 805 I N 1.724 122.337 120.570 0.071 0.000 2.194 805 I HA -0.265 3.900 4.170 -0.009 0.000 0.246 805 I C 2.489 178.656 176.117 0.083 0.000 1.093 805 I CA 1.013 62.361 61.300 0.080 0.000 1.355 805 I CB -0.360 37.682 38.000 0.071 0.000 1.046 805 I HN 0.103 nan 8.210 nan 0.000 0.413 806 A N 0.341 123.209 122.820 0.080 0.000 2.019 806 A HA -0.181 4.134 4.320 -0.009 0.000 0.219 806 A C 2.129 179.750 177.584 0.062 0.000 1.164 806 A CA 2.157 54.232 52.037 0.064 0.000 0.644 806 A CB -0.889 18.151 19.000 0.067 0.000 0.805 806 A HN 0.549 nan 8.150 nan 0.000 0.449 807 T N -2.871 111.734 114.554 0.085 0.000 3.176 807 T HA 0.176 4.520 4.350 -0.009 0.000 0.263 807 T C 1.227 176.019 174.700 0.154 0.000 1.021 807 T CA 0.671 62.826 62.100 0.092 0.000 0.905 807 T CB -0.171 68.750 68.868 0.090 0.000 1.057 807 T HN 0.499 nan 8.240 nan 0.000 0.558 808 S N 0.341 116.147 115.700 0.178 0.000 2.562 808 S HA 0.201 4.665 4.470 -0.009 0.000 0.221 808 S C 2.253 176.986 174.600 0.222 0.000 0.975 808 S CA 0.366 58.742 58.200 0.293 0.000 0.918 808 S CB -0.810 62.529 63.200 0.232 0.000 0.772 808 S HN 0.541 nan 8.310 nan 0.000 0.531 809 G N 2.749 111.602 108.800 0.088 0.000 2.513 809 G HA2 -0.348 3.607 3.960 -0.009 0.000 0.219 809 G HA3 -0.348 3.607 3.960 -0.009 0.000 0.219 809 G C 1.322 176.175 174.900 -0.079 0.000 1.160 809 G CA 1.193 46.307 45.100 0.024 0.000 0.767 809 G HN 0.617 nan 8.290 nan 0.000 0.571 810 K N -0.192 120.040 120.400 -0.280 0.000 2.211 810 K HA -0.055 4.259 4.320 -0.009 0.000 0.204 810 K C 1.405 177.675 176.600 -0.549 0.000 1.047 810 K CA 0.926 56.898 56.287 -0.525 0.000 0.935 810 K CB -0.270 31.715 32.500 -0.859 0.000 0.728 810 K HN 0.433 nan 8.250 nan 0.000 0.452 811 F N 0.660 120.641 119.950 0.052 0.000 2.692 811 F HA 0.143 4.664 4.527 -0.010 0.000 0.303 811 F C 0.805 176.652 175.800 0.078 0.000 1.114 811 F CA -0.599 57.439 58.000 0.063 0.000 1.361 811 F CB 0.432 39.465 39.000 0.056 0.000 1.063 811 F HN -0.128 nan 8.300 nan 0.000 0.550 812 S N 0.440 116.227 115.700 0.145 0.000 2.531 812 S HA 0.039 4.503 4.470 -0.009 0.000 0.279 812 S C 1.485 176.170 174.600 0.141 0.000 1.305 812 S CA -0.111 58.169 58.200 0.134 0.000 1.058 812 S CB 0.735 63.983 63.200 0.080 0.000 0.899 812 S HN 0.373 nan 8.310 nan 0.000 0.493 813 S N 3.347 119.156 115.700 0.182 0.000 2.507 813 S HA -0.088 4.376 4.470 -0.009 0.000 0.235 813 S C 0.984 175.647 174.600 0.104 0.000 0.988 813 S CA 0.776 59.106 58.200 0.216 0.000 0.944 813 S CB -0.348 63.057 63.200 0.342 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.929 122.372 120.400 0.071 0.000 2.117 814 D HA -0.095 4.540 4.640 -0.009 0.000 0.197 814 D C 2.099 178.407 176.300 0.014 0.000 0.987 814 D CA 0.830 54.849 54.000 0.031 0.000 0.829 814 D CB -0.342 40.472 40.800 0.023 0.000 0.961 814 D HN 0.303 nan 8.370 nan 0.000 0.460 815 R N 0.798 121.307 120.500 0.016 0.000 2.073 815 R HA -0.089 4.246 4.340 -0.009 0.000 0.234 815 R C 1.909 178.203 176.300 -0.009 0.000 1.134 815 R CA 1.408 57.503 56.100 -0.009 0.000 0.952 815 R CB -0.784 29.496 30.300 -0.033 0.000 0.850 815 R HN 0.128 nan 8.270 nan 0.000 0.433 816 T N 2.212 116.784 114.554 0.030 0.000 2.652 816 T HA -0.133 4.212 4.350 -0.009 0.000 0.267 816 T C 1.932 176.640 174.700 0.013 0.000 1.039 816 T CA 1.434 63.569 62.100 0.059 0.000 1.153 816 T CB -0.134 68.848 68.868 0.191 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.428 817 I N 1.644 122.153 120.570 -0.102 0.000 2.315 817 I HA -0.079 4.086 4.170 -0.009 0.000 0.248 817 I C 2.930 179.015 176.117 -0.053 0.000 1.117 817 I CA 0.939 62.147 61.300 -0.154 0.000 1.404 817 I CB -1.626 36.278 38.000 -0.161 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.204 123.006 122.820 -0.029 0.000 1.978 818 A HA -0.239 4.075 4.320 -0.009 0.000 0.220 818 A C 2.245 179.791 177.584 -0.063 0.000 1.170 818 A CA 1.476 53.500 52.037 -0.021 0.000 0.636 818 A CB -0.527 18.465 19.000 -0.014 0.000 0.810 818 A HN 0.526 nan 8.150 nan 0.000 0.448 819 Q N -1.883 117.858 119.800 -0.097 0.000 2.083 819 Q HA -0.146 4.188 4.340 -0.009 0.000 0.198 819 Q C 1.933 177.761 176.000 -0.287 0.000 0.969 819 Q CA 1.535 57.237 55.803 -0.167 0.000 0.838 819 Q CB -0.315 28.314 28.738 -0.181 0.000 0.900 819 Q HN 0.813 nan 8.270 nan 0.000 0.436 820 Y N 0.782 120.797 120.300 -0.476 0.000 2.114 820 Y HA -0.312 4.232 4.550 -0.010 0.000 0.282 820 Y C 2.507 177.847 175.900 -0.933 0.000 1.165 820 Y CA 1.348 58.908 58.100 -0.900 0.000 1.148 820 Y CB -0.462 37.134 38.460 -1.441 0.000 0.972 820 Y HN 0.169 nan 8.280 nan 0.000 0.504 821 A N 0.231 122.841 122.820 -0.351 0.000 1.883 821 A HA -0.225 4.089 4.320 -0.009 0.000 0.217 821 A C 2.240 179.842 177.584 0.031 0.000 1.186 821 A CA 2.054 54.128 52.037 0.062 0.000 0.624 821 A CB -0.552 18.557 19.000 0.182 0.000 0.822 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.764 119.712 120.500 -0.040 0.000 2.093 822 R HA -0.015 4.319 4.340 -0.009 0.000 0.224 822 R C 1.849 178.125 176.300 -0.040 0.000 1.101 822 R CA 1.444 57.531 56.100 -0.022 0.000 0.979 822 R CB -0.165 30.117 30.300 -0.029 0.000 0.877 822 R HN 0.654 nan 8.270 nan 0.000 0.441 823 E N -0.444 119.691 120.200 -0.109 0.000 2.364 823 E HA 0.090 4.434 4.350 -0.009 0.000 0.196 823 E C 1.458 178.005 176.600 -0.087 0.000 0.990 823 E CA 0.451 56.790 56.400 -0.102 0.000 0.886 823 E CB 0.529 30.140 29.700 -0.147 0.000 0.866 823 E HN 0.283 nan 8.360 nan 0.000 0.493 824 I N -1.053 119.426 120.570 -0.151 0.000 3.570 824 I HA 0.015 4.179 4.170 -0.009 0.000 0.270 824 I C 1.394 177.632 176.117 0.202 0.000 1.162 824 I CA -0.073 61.196 61.300 -0.052 0.000 1.413 824 I CB 0.190 38.020 38.000 -0.284 0.000 1.437 824 I HN 0.108 nan 8.210 nan 0.000 0.457 825 W N 1.537 122.927 121.300 0.150 0.000 2.658 825 W HA 0.287 4.942 4.660 -0.009 0.000 0.263 825 W C 1.502 178.056 176.519 0.059 0.000 1.274 825 W CA 0.917 58.332 57.345 0.118 0.000 1.343 825 W CB -1.143 28.374 29.460 0.095 0.000 1.106 825 W HN 0.336 nan 8.180 nan 0.000 0.615 826 G N 1.090 110.028 108.800 0.231 0.000 2.256 826 G HA2 -0.105 3.849 3.960 -0.009 0.000 0.272 826 G HA3 -0.105 3.849 3.960 -0.009 0.000 0.272 826 G C -0.327 174.645 174.900 0.120 0.000 1.076 826 G CA 0.230 45.408 45.100 0.129 0.000 0.882 826 G HN 0.425 nan 8.290 nan 0.000 0.497 827 V N -4.226 115.779 119.914 0.152 0.000 2.876 827 V HA 0.900 5.014 4.120 -0.009 0.000 0.312 827 V C -0.325 175.829 176.094 0.100 0.000 1.085 827 V CA -1.712 60.657 62.300 0.116 0.000 0.945 827 V CB 2.330 34.228 31.823 0.125 0.000 1.017 827 V HN 0.131 nan 8.190 nan 0.000 0.428 828 E N 3.892 124.134 120.200 0.070 0.000 2.174 828 E HA 0.508 4.852 4.350 -0.009 0.000 0.282 828 E C -2.468 174.169 176.600 0.062 0.000 0.992 828 E CA -1.749 54.686 56.400 0.058 0.000 0.803 828 E CB 1.739 31.465 29.700 0.042 0.000 1.090 828 E HN 0.740 nan 8.360 nan 0.000 0.396 829 P HA 0.080 nan 4.420 nan 0.000 0.272 829 P C -0.526 176.804 177.300 0.049 0.000 1.230 829 P CA -0.319 62.816 63.100 0.058 0.000 0.788 829 P CB 0.861 32.591 31.700 0.050 0.000 0.949 830 S N 0.920 116.651 115.700 0.051 0.000 2.614 830 S HA 0.295 4.760 4.470 -0.009 0.000 0.288 830 S C 0.562 175.186 174.600 0.040 0.000 1.137 830 S CA -0.731 57.497 58.200 0.046 0.000 0.992 830 S CB 0.767 64.002 63.200 0.058 0.000 1.026 830 S HN 0.242 nan 8.310 nan 0.000 0.486 831 R N 2.485 123.005 120.500 0.032 0.000 2.310 831 R HA 0.172 4.506 4.340 -0.009 0.000 0.202 831 R C 0.138 176.450 176.300 0.020 0.000 0.933 831 R CA 0.145 56.262 56.100 0.029 0.000 1.054 831 R CB -0.003 30.314 30.300 0.028 0.000 0.985 831 R HN 0.693 nan 8.270 nan 0.000 0.489 832 Q N 0.804 120.615 119.800 0.018 0.000 2.352 832 Q HA 0.114 4.448 4.340 -0.009 0.000 0.260 832 Q C -0.257 175.736 176.000 -0.012 0.000 0.976 832 Q CA 0.042 55.849 55.803 0.005 0.000 0.881 832 Q CB 0.889 29.633 28.738 0.011 0.000 1.235 832 Q HN -0.171 nan 8.270 nan 0.000 0.419 833 R N 1.331 121.816 120.500 -0.026 0.000 2.543 833 R HA 0.208 4.543 4.340 -0.009 0.000 0.277 833 R C -0.433 175.824 176.300 -0.071 0.000 1.074 833 R CA 0.032 56.104 56.100 -0.048 0.000 1.076 833 R CB 0.373 30.645 30.300 -0.047 0.000 0.993 833 R HN 0.479 nan 8.270 nan 0.000 0.459 834 L N 4.827 125.989 121.223 -0.102 0.000 2.418 834 L HA 0.366 4.701 4.340 -0.009 0.000 0.265 834 L C -1.818 174.994 176.870 -0.097 0.000 1.143 834 L CA -2.067 52.685 54.840 -0.146 0.000 0.809 834 L CB 0.976 42.913 42.059 -0.204 0.000 1.124 834 L HN 0.410 nan 8.230 nan 0.000 0.456 835 P HA 0.085 nan 4.420 nan 0.000 0.268 835 P C -0.612 176.661 177.300 -0.045 0.000 1.205 835 P CA -0.171 62.898 63.100 -0.052 0.000 0.771 835 P CB 0.719 32.396 31.700 -0.039 0.000 0.858 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486