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 2qrm_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.061 0.000 1.108 13 I N -0.494 120.063 120.570 -0.021 0.000 2.525 13 I HA 0.544 4.707 4.170 -0.011 0.000 0.301 13 I C 0.994 177.111 176.117 -0.001 0.000 0.992 13 I CA -0.246 61.050 61.300 -0.007 0.000 1.162 13 I CB 1.887 39.888 38.000 0.001 0.000 1.332 13 I HN 0.217 nan 8.210 nan 0.000 0.458 14 S N 3.428 119.133 115.700 0.008 0.000 2.359 14 S HA -0.161 4.303 4.470 -0.011 0.000 0.224 14 S C 1.767 176.376 174.600 0.015 0.000 1.035 14 S CA 2.041 60.248 58.200 0.011 0.000 1.018 14 S CB -0.558 62.654 63.200 0.020 0.000 0.876 14 S HN 0.782 nan 8.310 nan 0.000 0.448 15 V N -0.062 119.869 119.914 0.027 0.000 3.026 15 V HA 0.102 4.215 4.120 -0.011 0.000 0.265 15 V C 1.973 178.082 176.094 0.024 0.000 1.121 15 V CA 1.455 63.774 62.300 0.033 0.000 1.142 15 V CB -1.062 30.790 31.823 0.047 0.000 0.730 15 V HN 0.383 nan 8.190 nan 0.000 0.503 16 R N 1.085 121.590 120.500 0.009 0.000 2.310 16 R HA 0.429 4.763 4.340 -0.011 0.000 0.202 16 R C 1.180 177.470 176.300 -0.016 0.000 0.933 16 R CA 0.555 56.653 56.100 -0.003 0.000 1.054 16 R CB 0.054 30.348 30.300 -0.010 0.000 0.985 16 R HN 0.767 nan 8.270 nan 0.000 0.489 17 G N 0.692 109.482 108.800 -0.016 0.000 2.698 17 G HA2 -0.223 3.730 3.960 -0.011 0.000 0.225 17 G HA3 -0.223 3.730 3.960 -0.011 0.000 0.225 17 G C -0.952 173.932 174.900 -0.027 0.000 1.345 17 G CA -1.043 44.041 45.100 -0.028 0.000 0.871 17 G HN -0.020 nan 8.290 nan 0.000 0.540 18 L N 0.466 121.670 121.223 -0.031 0.000 2.334 18 L HA 0.690 5.024 4.340 -0.011 0.000 0.277 18 L C 1.175 178.029 176.870 -0.026 0.000 1.075 18 L CA 0.233 55.058 54.840 -0.025 0.000 0.804 18 L CB 1.032 43.077 42.059 -0.023 0.000 1.174 18 L HN 1.555 nan 8.230 nan 0.000 0.438 19 A N 2.371 125.179 122.820 -0.020 0.000 2.937 19 A HA 0.604 4.917 4.320 -0.011 0.000 0.338 19 A C 0.629 178.208 177.584 -0.009 0.000 1.273 19 A CA -0.356 51.671 52.037 -0.016 0.000 0.937 19 A CB -0.268 18.722 19.000 -0.018 0.000 1.133 19 A HN 0.782 nan 8.150 nan 0.000 0.491 20 G N -0.049 108.747 108.800 -0.007 0.000 2.483 20 G HA2 0.379 4.332 3.960 -0.011 0.000 0.248 20 G HA3 0.379 4.332 3.960 -0.011 0.000 0.248 20 G C 0.997 175.901 174.900 0.006 0.000 1.248 20 G CA -0.120 44.979 45.100 -0.001 0.000 0.838 20 G HN 0.434 nan 8.290 nan 0.000 0.566 21 V N 1.898 121.817 119.914 0.008 0.000 2.282 21 V HA -0.210 3.904 4.120 -0.011 0.000 0.249 21 V C 2.731 178.835 176.094 0.017 0.000 1.057 21 V CA 2.461 64.768 62.300 0.012 0.000 1.032 21 V CB -0.642 31.187 31.823 0.010 0.000 0.645 21 V HN 0.781 nan 8.190 nan 0.000 0.447 22 E N 0.295 120.505 120.200 0.017 0.000 2.051 22 E HA -0.188 4.155 4.350 -0.011 0.000 0.192 22 E C 2.106 178.726 176.600 0.034 0.000 0.991 22 E CA 1.571 57.985 56.400 0.023 0.000 0.799 22 E CB -0.331 29.382 29.700 0.021 0.000 0.748 22 E HN 0.586 nan 8.360 nan 0.000 0.449 23 N N -0.698 118.020 118.700 0.031 0.000 2.084 23 N HA -0.140 4.594 4.740 -0.011 0.000 0.190 23 N C 1.650 177.186 175.510 0.043 0.000 1.030 23 N CA 1.223 54.296 53.050 0.039 0.000 0.849 23 N CB -0.233 38.262 38.487 0.014 0.000 1.012 23 N HN -0.013 nan 8.380 nan 0.000 0.423 24 V N 0.230 120.161 119.914 0.028 0.000 2.343 24 V HA -0.235 3.878 4.120 -0.011 0.000 0.247 24 V C 2.056 178.171 176.094 0.036 0.000 1.051 24 V CA 1.962 64.278 62.300 0.027 0.000 1.036 24 V CB -0.991 30.843 31.823 0.018 0.000 0.654 24 V HN 0.408 nan 8.190 nan 0.000 0.451 25 T N -0.526 114.050 114.554 0.035 0.000 2.708 25 T HA -0.237 4.107 4.350 -0.011 0.000 0.266 25 T C 1.921 176.654 174.700 0.056 0.000 1.037 25 T CA 1.855 63.978 62.100 0.038 0.000 1.146 25 T CB -0.212 68.674 68.868 0.030 0.000 0.865 25 T HN 0.493 nan 8.240 nan 0.000 0.435 26 E N 1.009 121.249 120.200 0.067 0.000 2.047 26 E HA -0.023 4.321 4.350 -0.011 0.000 0.191 26 E C 2.059 178.734 176.600 0.126 0.000 0.987 26 E CA 0.922 57.375 56.400 0.088 0.000 0.799 26 E CB -0.545 29.212 29.700 0.095 0.000 0.752 26 E HN 0.437 nan 8.360 nan 0.000 0.449 27 L N 0.195 121.501 121.223 0.138 0.000 2.042 27 L HA -0.204 4.129 4.340 -0.011 0.000 0.210 27 L C 2.474 179.451 176.870 0.179 0.000 1.076 27 L CA 1.510 56.455 54.840 0.175 0.000 0.749 27 L CB -0.332 41.803 42.059 0.126 0.000 0.893 27 L HN 0.083 nan 8.230 nan 0.000 0.432 28 K N 0.379 120.846 120.400 0.112 0.000 2.057 28 K HA -0.206 4.108 4.320 -0.011 0.000 0.207 28 K C 2.145 178.845 176.600 0.168 0.000 1.049 28 K CA 1.715 58.061 56.287 0.097 0.000 0.931 28 K CB -0.062 32.459 32.500 0.034 0.000 0.714 28 K HN 0.382 nan 8.250 nan 0.000 0.440 29 K N 0.098 120.578 120.400 0.134 0.000 2.155 29 K HA -0.030 4.283 4.320 -0.011 0.000 0.203 29 K C 1.499 178.185 176.600 0.143 0.000 1.052 29 K CA 1.192 57.552 56.287 0.122 0.000 0.948 29 K CB -0.065 32.480 32.500 0.075 0.000 0.728 29 K HN -0.002 nan 8.250 nan 0.000 0.448 30 N N 0.556 119.354 118.700 0.164 0.000 2.270 30 N HA -0.104 4.630 4.740 -0.011 0.000 0.181 30 N C 1.563 177.233 175.510 0.267 0.000 1.016 30 N CA 0.867 54.013 53.050 0.160 0.000 0.870 30 N CB -0.242 38.349 38.487 0.174 0.000 0.979 30 N HN 0.211 nan 8.380 nan 0.000 0.431 31 F N 2.463 122.518 119.950 0.175 0.000 2.102 31 F HA -0.094 4.426 4.527 -0.010 0.000 0.298 31 F C 1.995 177.906 175.800 0.184 0.000 1.105 31 F CA 1.243 59.361 58.000 0.195 0.000 1.239 31 F CB -0.093 38.994 39.000 0.145 0.000 0.991 31 F HN -0.039 nan 8.300 nan 0.000 0.474 32 N N 0.415 119.343 118.700 0.381 0.000 2.188 32 N HA -0.162 4.571 4.740 -0.011 0.000 0.184 32 N C 2.008 177.612 175.510 0.156 0.000 1.018 32 N CA 1.008 54.210 53.050 0.252 0.000 0.858 32 N CB -0.508 38.108 38.487 0.215 0.000 0.989 32 N HN 0.364 nan 8.380 nan 0.000 0.426 33 R N 0.242 120.828 120.500 0.143 0.000 2.073 33 R HA -0.101 4.232 4.340 -0.011 0.000 0.234 33 R C 1.809 178.200 176.300 0.151 0.000 1.134 33 R CA 1.519 57.723 56.100 0.173 0.000 0.952 33 R CB -0.231 30.082 30.300 0.022 0.000 0.850 33 R HN 0.373 nan 8.270 nan 0.000 0.433 34 H N -0.369 118.745 119.070 0.074 0.000 2.387 34 H HA -0.128 4.421 4.556 -0.011 0.000 0.299 34 H C 1.882 177.147 175.328 -0.105 0.000 1.090 34 H CA 1.473 57.495 56.048 -0.042 0.000 1.332 34 H CB 0.056 29.750 29.762 -0.114 0.000 1.386 34 H HN 0.133 nan 8.280 nan 0.000 0.516 35 L N -0.103 121.107 121.223 -0.020 0.000 2.079 35 L HA -0.195 4.138 4.340 -0.011 0.000 0.210 35 L C 2.168 179.020 176.870 -0.031 0.000 1.081 35 L CA 1.837 56.635 54.840 -0.070 0.000 0.752 35 L CB -0.365 41.663 42.059 -0.052 0.000 0.896 35 L HN 0.310 nan 8.230 nan 0.000 0.433 36 H N -1.852 117.156 119.070 -0.104 0.000 2.287 36 H HA -0.035 4.515 4.556 -0.011 0.000 0.309 36 H C 1.798 176.945 175.328 -0.302 0.000 1.059 36 H CA 2.143 58.041 56.048 -0.250 0.000 1.357 36 H CB -0.264 29.271 29.762 -0.378 0.000 1.409 36 H HN 0.275 nan 8.280 nan 0.000 0.515 37 F N -0.415 119.528 119.950 -0.012 0.000 2.293 37 F HA -0.024 4.496 4.527 -0.011 0.000 0.297 37 F C 2.508 178.237 175.800 -0.119 0.000 1.089 37 F CA 1.381 59.333 58.000 -0.080 0.000 1.377 37 F CB -0.227 38.756 39.000 -0.030 0.000 1.051 37 F HN 0.190 nan 8.300 nan 0.000 0.511 38 T N -0.222 114.362 114.554 0.050 0.000 2.953 38 T HA 0.092 4.435 4.350 -0.011 0.000 0.247 38 T C 1.987 176.589 174.700 -0.164 0.000 1.029 38 T CA 0.729 62.782 62.100 -0.077 0.000 1.144 38 T CB -0.270 68.513 68.868 -0.140 0.000 0.870 38 T HN 0.094 nan 8.240 nan 0.000 0.446 39 L N 1.292 122.418 121.223 -0.163 0.000 2.446 39 L HA 0.165 4.499 4.340 -0.011 0.000 0.219 39 L C 0.431 177.202 176.870 -0.166 0.000 1.116 39 L CA -0.009 54.726 54.840 -0.175 0.000 0.844 39 L CB -0.142 41.823 42.059 -0.158 0.000 0.970 39 L HN 0.007 nan 8.230 nan 0.000 0.457 40 V N 0.509 120.307 119.914 -0.193 0.000 6.078 40 V HA -0.279 3.834 4.120 -0.011 0.000 0.301 40 V C -0.048 175.930 176.094 -0.193 0.000 0.571 40 V CA 1.107 63.264 62.300 -0.238 0.000 0.625 40 V CB -2.226 29.481 31.823 -0.193 0.000 0.271 40 V HN 0.428 nan 8.190 nan 0.000 0.788 41 K N 0.911 121.206 120.400 -0.175 0.000 2.480 41 K HA 0.728 5.042 4.320 -0.011 0.000 0.258 41 K C -0.603 175.957 176.600 -0.066 0.000 0.990 41 K CA -0.538 55.679 56.287 -0.116 0.000 0.857 41 K CB 2.805 35.237 32.500 -0.115 0.000 1.384 41 K HN 0.479 nan 8.250 nan 0.000 0.446 42 D N -0.503 119.882 120.400 -0.025 0.000 2.450 42 D HA 0.308 4.941 4.640 -0.011 0.000 0.238 42 D C 0.677 177.010 176.300 0.056 0.000 1.020 42 D CA -0.689 53.333 54.000 0.037 0.000 1.010 42 D CB 0.914 41.740 40.800 0.044 0.000 1.342 42 D HN 0.124 nan 8.370 nan 0.000 0.530 43 R N 0.114 120.683 120.500 0.115 0.000 2.249 43 R HA -0.052 4.282 4.340 -0.011 0.000 0.230 43 R C 0.844 177.223 176.300 0.131 0.000 1.121 43 R CA 0.641 56.850 56.100 0.182 0.000 0.997 43 R CB -0.666 29.747 30.300 0.188 0.000 0.867 43 R HN 0.521 nan 8.270 nan 0.000 0.465 44 N N 0.166 118.910 118.700 0.073 0.000 2.354 44 N HA -0.078 4.656 4.740 -0.011 0.000 0.179 44 N C 1.615 177.146 175.510 0.035 0.000 1.021 44 N CA 1.287 54.368 53.050 0.052 0.000 0.887 44 N CB 0.262 38.769 38.487 0.034 0.000 0.974 44 N HN 0.244 nan 8.380 nan 0.000 0.437 45 V N -3.134 116.787 119.914 0.012 0.000 3.477 45 V HA 0.547 4.660 4.120 -0.011 0.000 0.297 45 V C 0.736 176.801 176.094 -0.049 0.000 1.433 45 V CA -0.574 61.719 62.300 -0.012 0.000 1.052 45 V CB -0.274 31.537 31.823 -0.020 0.000 0.895 45 V HN 0.048 nan 8.190 nan 0.000 0.438 46 A N 2.153 124.922 122.820 -0.085 0.000 2.440 46 A HA 0.601 4.915 4.320 -0.011 0.000 0.251 46 A C 0.724 178.142 177.584 -0.277 0.000 1.089 46 A CA 0.764 52.643 52.037 -0.263 0.000 0.779 46 A CB -0.023 18.692 19.000 -0.476 0.000 1.022 46 A HN 0.842 nan 8.150 nan 0.000 0.492 47 T N -0.023 114.362 114.554 -0.280 0.000 2.948 47 T HA 0.574 4.918 4.350 -0.011 0.000 0.285 47 T C -2.102 172.526 174.700 -0.120 0.000 1.019 47 T CA -1.779 60.248 62.100 -0.122 0.000 1.013 47 T CB 1.225 70.069 68.868 -0.040 0.000 1.117 47 T HN 0.250 nan 8.240 nan 0.000 0.533 48 P HA -0.119 nan 4.420 nan 0.000 0.217 48 P C 1.597 179.018 177.300 0.201 0.000 1.151 48 P CA 1.051 64.303 63.100 0.255 0.000 0.849 48 P CB 0.045 31.851 31.700 0.177 0.000 0.787 49 R N -0.111 120.453 120.500 0.106 0.000 2.096 49 R HA -0.138 4.195 4.340 -0.011 0.000 0.235 49 R C 1.689 178.156 176.300 0.278 0.000 1.127 49 R CA 1.725 57.921 56.100 0.161 0.000 0.968 49 R CB -0.641 29.690 30.300 0.052 0.000 0.861 49 R HN 0.103 nan 8.270 nan 0.000 0.440 50 D N -0.330 120.118 120.400 0.079 0.000 2.117 50 D HA -0.192 4.441 4.640 -0.011 0.000 0.197 50 D C 1.725 178.043 176.300 0.030 0.000 0.987 50 D CA 1.337 55.335 54.000 -0.003 0.000 0.829 50 D CB -0.315 40.342 40.800 -0.239 0.000 0.961 50 D HN 0.300 nan 8.370 nan 0.000 0.460 51 Y N 0.153 120.565 120.300 0.186 0.000 2.181 51 Y HA -0.209 4.334 4.550 -0.010 0.000 0.288 51 Y C 2.338 178.387 175.900 0.248 0.000 1.146 51 Y CA 0.363 58.621 58.100 0.263 0.000 1.164 51 Y CB -1.197 37.471 38.460 0.347 0.000 0.982 51 Y HN 0.081 nan 8.280 nan 0.000 0.515 52 Y N -0.345 120.103 120.300 0.248 0.000 2.081 52 Y HA -0.322 4.222 4.550 -0.011 0.000 0.280 52 Y C 2.022 177.908 175.900 -0.023 0.000 1.163 52 Y CA 1.468 59.608 58.100 0.067 0.000 1.135 52 Y CB -1.185 37.210 38.460 -0.108 0.000 0.970 52 Y HN 0.056 nan 8.280 nan 0.000 0.498 53 F N 0.152 119.903 119.950 -0.332 0.000 2.171 53 F HA -0.144 4.377 4.527 -0.010 0.000 0.300 53 F C 2.636 178.292 175.800 -0.240 0.000 1.090 53 F CA 1.248 58.997 58.000 -0.418 0.000 1.293 53 F CB -0.798 38.126 39.000 -0.127 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.197 122.574 122.820 -0.083 0.000 1.902 54 A HA -0.175 4.138 4.320 -0.011 0.000 0.217 54 A C 2.054 179.513 177.584 -0.208 0.000 1.181 54 A CA 1.497 53.345 52.037 -0.316 0.000 0.623 54 A CB -0.970 17.495 19.000 -0.891 0.000 0.818 54 A HN 0.338 nan 8.150 nan 0.000 0.443 55 L N -0.226 121.006 121.223 0.014 0.000 2.027 55 L HA -0.022 4.312 4.340 -0.011 0.000 0.206 55 L C 2.683 179.555 176.870 0.004 0.000 1.074 55 L CA 2.157 57.131 54.840 0.223 0.000 0.745 55 L CB -0.963 41.292 42.059 0.327 0.000 0.898 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.247 121.403 122.820 -0.283 0.000 1.883 56 A HA -0.283 4.031 4.320 -0.011 0.000 0.217 56 A C 2.140 179.403 177.584 -0.535 0.000 1.186 56 A CA 2.013 53.770 52.037 -0.467 0.000 0.624 56 A CB -1.101 17.304 19.000 -0.992 0.000 0.822 56 A HN 0.672 nan 8.150 nan 0.000 0.444 57 H N -0.752 118.020 119.070 -0.497 0.000 2.387 57 H HA -0.058 4.491 4.556 -0.011 0.000 0.299 57 H C 2.322 177.383 175.328 -0.444 0.000 1.090 57 H CA 1.960 57.632 56.048 -0.628 0.000 1.332 57 H CB -0.204 28.922 29.762 -1.059 0.000 1.386 57 H HN 0.466 nan 8.280 nan 0.000 0.516 58 T N -0.363 114.149 114.554 -0.069 0.000 2.737 58 T HA -0.122 4.222 4.350 -0.011 0.000 0.265 58 T C 2.258 177.121 174.700 0.272 0.000 1.038 58 T CA 1.337 63.569 62.100 0.220 0.000 1.144 58 T CB -0.358 68.703 68.868 0.322 0.000 0.866 58 T HN 0.098 nan 8.240 nan 0.000 0.434 59 V N 1.365 121.408 119.914 0.215 0.000 2.379 59 V HA -0.098 4.015 4.120 -0.011 0.000 0.245 59 V C 2.600 178.866 176.094 0.287 0.000 1.044 59 V CA 1.494 63.958 62.300 0.272 0.000 1.036 59 V CB -0.613 31.361 31.823 0.251 0.000 0.664 59 V HN 0.343 nan 8.190 nan 0.000 0.453 60 R N 0.220 120.837 120.500 0.195 0.000 2.117 60 R HA -0.234 4.099 4.340 -0.011 0.000 0.243 60 R C 2.008 178.402 176.300 0.156 0.000 1.143 60 R CA 2.137 58.343 56.100 0.176 0.000 0.968 60 R CB -0.416 29.825 30.300 -0.099 0.000 0.863 60 R HN 0.485 nan 8.270 nan 0.000 0.444 61 D N -0.370 120.109 120.400 0.132 0.000 2.158 61 D HA -0.182 4.451 4.640 -0.011 0.000 0.197 61 D C 1.666 177.976 176.300 0.017 0.000 0.995 61 D CA 1.171 55.221 54.000 0.083 0.000 0.846 61 D CB -0.344 40.499 40.800 0.071 0.000 0.941 61 D HN 0.467 nan 8.370 nan 0.000 0.456 62 H N -0.387 118.744 119.070 0.101 0.000 2.524 62 H HA 0.060 4.610 4.556 -0.010 0.000 0.282 62 H C 2.165 177.531 175.328 0.064 0.000 1.016 62 H CA 0.344 56.436 56.048 0.073 0.000 1.270 62 H CB 0.324 30.122 29.762 0.059 0.000 1.394 62 H HN 0.207 nan 8.280 nan 0.000 0.568 63 L N 0.614 121.942 121.223 0.176 0.000 2.179 63 L HA -0.099 4.234 4.340 -0.011 0.000 0.208 63 L C 2.747 179.720 176.870 0.171 0.000 1.096 63 L CA 0.402 55.312 54.840 0.116 0.000 0.779 63 L CB -0.136 41.958 42.059 0.057 0.000 0.922 63 L HN 0.116 nan 8.230 nan 0.000 0.443 64 V N -2.405 117.625 119.914 0.193 0.000 2.295 64 V HA -0.092 4.021 4.120 -0.011 0.000 0.246 64 V C 2.324 178.526 176.094 0.179 0.000 1.049 64 V CA 1.929 64.376 62.300 0.246 0.000 1.024 64 V CB -1.671 30.260 31.823 0.180 0.000 0.648 64 V HN 0.344 nan 8.190 nan 0.000 0.447 65 G N 0.328 109.190 108.800 0.103 0.000 2.446 65 G HA2 -0.247 3.707 3.960 -0.011 0.000 0.217 65 G HA3 -0.247 3.707 3.960 -0.011 0.000 0.217 65 G C 1.763 176.707 174.900 0.072 0.000 1.168 65 G CA 1.041 46.179 45.100 0.063 0.000 0.771 65 G HN 0.550 nan 8.290 nan 0.000 0.551 66 R N -1.440 119.112 120.500 0.087 0.000 2.096 66 R HA -0.082 4.252 4.340 -0.011 0.000 0.235 66 R C 2.275 178.655 176.300 0.134 0.000 1.127 66 R CA 1.195 57.335 56.100 0.068 0.000 0.968 66 R CB -0.368 29.957 30.300 0.042 0.000 0.861 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 W N 1.567 122.846 121.300 -0.035 0.000 2.355 67 W HA -0.072 4.582 4.660 -0.010 0.000 0.309 67 W C 1.737 178.227 176.519 -0.049 0.000 1.206 67 W CA 0.923 58.245 57.345 -0.039 0.000 1.284 67 W CB -0.593 28.861 29.460 -0.010 0.000 1.145 67 W HN -0.038 nan 8.180 nan 0.000 0.502 68 I N 0.965 121.586 120.570 0.085 0.000 2.226 68 I HA -0.337 3.826 4.170 -0.011 0.000 0.245 68 I C 2.706 178.801 176.117 -0.036 0.000 1.100 68 I CA 2.034 63.301 61.300 -0.055 0.000 1.374 68 I CB -0.631 37.341 38.000 -0.046 0.000 1.057 68 I HN -0.019 nan 8.210 nan 0.000 0.413 69 R N 0.338 120.833 120.500 -0.008 0.000 2.119 69 R HA -0.043 4.290 4.340 -0.011 0.000 0.222 69 R C 1.916 178.176 176.300 -0.066 0.000 1.088 69 R CA 1.492 57.577 56.100 -0.026 0.000 0.984 69 R CB -1.113 29.173 30.300 -0.024 0.000 0.884 69 R HN 0.160 nan 8.270 nan 0.000 0.447 70 T N 1.654 116.150 114.554 -0.097 0.000 2.708 70 T HA -0.107 4.237 4.350 -0.011 0.000 0.266 70 T C 1.816 176.255 174.700 -0.436 0.000 1.037 70 T CA 1.396 63.333 62.100 -0.271 0.000 1.146 70 T CB -0.122 68.630 68.868 -0.194 0.000 0.865 70 T HN 0.251 nan 8.240 nan 0.000 0.435 71 Q N 1.240 120.925 119.800 -0.192 0.000 2.167 71 Q HA -0.121 4.212 4.340 -0.011 0.000 0.202 71 Q C 2.507 178.511 176.000 0.007 0.000 0.970 71 Q CA 1.285 57.041 55.803 -0.078 0.000 0.855 71 Q CB -0.498 28.222 28.738 -0.031 0.000 0.911 71 Q HN 0.825 nan 8.270 nan 0.000 0.438 72 Q N -0.652 119.145 119.800 -0.006 0.000 2.172 72 Q HA -0.188 4.146 4.340 -0.011 0.000 0.200 72 Q C 1.770 177.851 176.000 0.135 0.000 0.964 72 Q CA 1.497 57.344 55.803 0.073 0.000 0.855 72 Q CB -0.494 28.265 28.738 0.034 0.000 0.918 72 Q HN 0.418 nan 8.270 nan 0.000 0.444 73 H N 0.192 119.229 119.070 -0.054 0.000 2.353 73 H HA -0.172 4.378 4.556 -0.011 0.000 0.300 73 H C 1.126 176.502 175.328 0.080 0.000 1.090 73 H CA 2.145 58.167 56.048 -0.044 0.000 1.327 73 H CB -0.210 29.457 29.762 -0.159 0.000 1.383 73 H HN 0.320 nan 8.280 nan 0.000 0.508 74 Y N -1.075 119.251 120.300 0.042 0.000 2.293 74 Y HA -0.176 4.367 4.550 -0.011 0.000 0.291 74 Y C 2.403 178.321 175.900 0.031 0.000 1.137 74 Y CA 1.035 59.133 58.100 -0.004 0.000 1.202 74 Y CB -1.332 37.185 38.460 0.095 0.000 0.990 74 Y HN 0.357 nan 8.280 nan 0.000 0.537 75 Y N 1.183 121.556 120.300 0.121 0.000 2.242 75 Y HA -0.170 4.373 4.550 -0.011 0.000 0.291 75 Y C 2.086 177.991 175.900 0.009 0.000 1.137 75 Y CA 1.669 59.805 58.100 0.060 0.000 1.181 75 Y CB -0.002 38.485 38.460 0.045 0.000 0.989 75 Y HN 0.022 nan 8.280 nan 0.000 0.527 76 E N 0.261 120.453 120.200 -0.014 0.000 2.051 76 E HA -0.125 4.219 4.350 -0.011 0.000 0.189 76 E C 2.010 178.521 176.600 -0.150 0.000 0.979 76 E CA 1.051 57.388 56.400 -0.104 0.000 0.803 76 E CB -0.203 29.496 29.700 -0.001 0.000 0.761 76 E HN 0.480 nan 8.360 nan 0.000 0.451 77 K N 0.687 120.981 120.400 -0.177 0.000 2.296 77 K HA -0.079 4.234 4.320 -0.011 0.000 0.200 77 K C -0.047 176.484 176.600 -0.114 0.000 1.048 77 K CA 0.423 56.608 56.287 -0.170 0.000 0.966 77 K CB 0.021 32.348 32.500 -0.288 0.000 0.754 77 K HN -0.020 nan 8.250 nan 0.000 0.466 78 D N 1.061 121.402 120.400 -0.098 0.000 2.735 78 D HA -0.104 4.530 4.640 -0.011 0.000 0.235 78 D C -2.430 173.837 176.300 -0.054 0.000 1.175 78 D CA 0.103 54.058 54.000 -0.075 0.000 0.683 78 D CB -0.070 40.658 40.800 -0.120 0.000 1.008 78 D HN 0.175 nan 8.370 nan 0.000 0.416 79 P HA 0.117 nan 4.420 nan 0.000 0.276 79 P C -0.150 177.108 177.300 -0.070 0.000 1.261 79 P CA -0.618 62.446 63.100 -0.061 0.000 0.800 79 P CB 0.630 32.283 31.700 -0.079 0.000 1.066 80 K N 1.291 121.654 120.400 -0.063 0.000 2.451 80 K HA 0.038 4.351 4.320 -0.011 0.000 0.280 80 K C 0.136 176.653 176.600 -0.138 0.000 1.020 80 K CA -0.101 56.144 56.287 -0.071 0.000 1.008 80 K CB 0.282 32.757 32.500 -0.042 0.000 0.917 80 K HN 0.303 nan 8.250 nan 0.000 0.478 81 R N 4.519 124.927 120.500 -0.153 0.000 2.368 81 R HA 0.356 4.690 4.340 -0.011 0.000 0.302 81 R C -0.194 175.857 176.300 -0.415 0.000 1.002 81 R CA -0.816 55.118 56.100 -0.276 0.000 0.929 81 R CB 0.803 30.952 30.300 -0.252 0.000 1.073 81 R HN 0.505 nan 8.270 nan 0.000 0.464 82 I N 3.713 123.974 120.570 -0.514 0.000 2.339 82 I HA 0.267 4.431 4.170 -0.011 0.000 0.290 82 I C -0.500 175.326 176.117 -0.486 0.000 0.994 82 I CA -0.994 59.960 61.300 -0.577 0.000 1.191 82 I CB 0.614 38.128 38.000 -0.811 0.000 1.343 82 I HN 0.442 nan 8.210 nan 0.000 0.458 83 Y N 5.902 126.169 120.300 -0.055 0.000 2.356 83 Y HA 0.300 4.844 4.550 -0.010 0.000 0.334 83 Y C -0.323 175.684 175.900 0.178 0.000 0.958 83 Y CA -0.690 57.497 58.100 0.145 0.000 1.196 83 Y CB 1.207 39.708 38.460 0.068 0.000 1.137 83 Y HN 0.407 nan 8.280 nan 0.000 0.485 84 Y N 4.581 125.063 120.300 0.302 0.000 2.434 84 Y HA 0.504 5.047 4.550 -0.010 0.000 0.341 84 Y C -1.325 174.838 175.900 0.439 0.000 0.965 84 Y CA -0.979 57.306 58.100 0.309 0.000 1.205 84 Y CB 0.343 38.980 38.460 0.296 0.000 1.121 84 Y HN 0.506 nan 8.280 nan 0.000 0.507 85 L N 5.055 126.345 121.223 0.112 0.000 2.264 85 L HA 0.511 4.844 4.340 -0.011 0.000 0.289 85 L C -0.212 176.691 176.870 0.055 0.000 1.044 85 L CA 0.059 55.020 54.840 0.201 0.000 0.807 85 L CB 1.409 43.548 42.059 0.135 0.000 1.192 85 L HN 0.570 nan 8.230 nan 0.000 0.425 86 S N 2.640 118.454 115.700 0.191 0.000 2.536 86 S HA 0.475 4.938 4.470 -0.011 0.000 0.271 86 S C 0.336 175.026 174.600 0.149 0.000 1.134 86 S CA -0.614 57.588 58.200 0.005 0.000 0.897 86 S CB 1.019 63.978 63.200 -0.401 0.000 1.094 86 S HN 0.489 nan 8.310 nan 0.000 0.473 87 L N 2.490 123.836 121.223 0.205 0.000 2.554 87 L HA 0.367 4.701 4.340 -0.011 0.000 0.226 87 L C 0.254 177.314 176.870 0.317 0.000 1.137 87 L CA 1.194 56.219 54.840 0.308 0.000 0.863 87 L CB -0.828 41.426 42.059 0.325 0.000 0.985 87 L HN 0.704 nan 8.230 nan 0.000 0.451 88 E N -0.879 119.382 120.200 0.101 0.000 2.275 88 E HA 0.393 4.736 4.350 -0.011 0.000 0.270 88 E C -1.520 174.958 176.600 -0.203 0.000 0.882 88 E CA -0.381 56.063 56.400 0.074 0.000 0.758 88 E CB 2.092 31.822 29.700 0.050 0.000 1.195 88 E HN -0.153 nan 8.360 nan 0.000 0.419 89 F N 2.216 122.267 119.950 0.169 0.000 2.716 89 F HA 0.185 4.705 4.527 -0.011 0.000 0.354 89 F C -0.897 174.977 175.800 0.122 0.000 1.168 89 F CA -0.788 57.297 58.000 0.143 0.000 1.045 89 F CB 1.014 40.088 39.000 0.124 0.000 1.311 89 F HN 0.474 nan 8.300 nan 0.000 0.477 90 Y N 5.336 125.709 120.300 0.122 0.000 2.691 90 Y HA 0.258 4.802 4.550 -0.010 0.000 0.338 90 Y C 0.803 176.720 175.900 0.028 0.000 1.148 90 Y CA -1.120 57.002 58.100 0.037 0.000 1.430 90 Y CB 0.445 38.908 38.460 0.004 0.000 1.303 90 Y HN 0.554 nan 8.280 nan 0.000 0.499 91 M N 1.850 121.614 119.600 0.274 0.000 2.388 91 M HA 0.143 4.617 4.480 -0.011 0.000 0.265 91 M C 1.522 177.825 176.300 0.004 0.000 1.088 91 M CA 1.021 56.377 55.300 0.094 0.000 1.134 91 M CB -1.138 31.480 32.600 0.030 0.000 1.384 91 M HN 0.727 nan 8.290 nan 0.000 0.447 92 G N 1.379 110.214 108.800 0.058 0.000 2.569 92 G HA2 -0.277 3.676 3.960 -0.011 0.000 0.259 92 G HA3 -0.277 3.676 3.960 -0.011 0.000 0.259 92 G C -0.240 174.633 174.900 -0.046 0.000 1.263 92 G CA -0.307 44.776 45.100 -0.028 0.000 0.928 92 G HN 0.440 nan 8.290 nan 0.000 0.572 93 R N -0.723 119.724 120.500 -0.088 0.000 2.582 93 R HA 0.553 4.886 4.340 -0.011 0.000 0.271 93 R C 1.098 177.282 176.300 -0.193 0.000 1.078 93 R CA 0.381 56.431 56.100 -0.083 0.000 1.127 93 R CB 0.643 30.898 30.300 -0.075 0.000 1.038 93 R HN 0.526 nan 8.270 nan 0.000 0.500 94 T N 1.108 115.494 114.554 -0.281 0.000 2.978 94 T HA -0.005 4.339 4.350 -0.011 0.000 0.248 94 T C 1.408 175.728 174.700 -0.633 0.000 1.018 94 T CA -0.158 61.559 62.100 -0.640 0.000 1.026 94 T CB 0.139 68.231 68.868 -1.293 0.000 1.032 94 T HN 0.313 nan 8.240 nan 0.000 0.485 95 L N 1.985 123.064 121.223 -0.240 0.000 1.970 95 L HA -0.031 4.303 4.340 -0.011 0.000 0.212 95 L C 2.456 179.292 176.870 -0.056 0.000 1.071 95 L CA 2.027 56.881 54.840 0.023 0.000 0.751 95 L CB -0.707 41.570 42.059 0.364 0.000 0.889 95 L HN 0.182 nan 8.230 nan 0.000 0.432 96 Q N -0.741 119.023 119.800 -0.059 0.000 2.084 96 Q HA -0.255 4.078 4.340 -0.011 0.000 0.202 96 Q C 2.241 178.169 176.000 -0.120 0.000 0.978 96 Q CA 1.884 57.644 55.803 -0.070 0.000 0.844 96 Q CB -0.320 28.374 28.738 -0.074 0.000 0.898 96 Q HN 0.707 nan 8.270 nan 0.000 0.426 97 N N -1.013 117.576 118.700 -0.185 0.000 2.104 97 N HA -0.157 4.577 4.740 -0.011 0.000 0.190 97 N C 1.376 176.779 175.510 -0.179 0.000 1.024 97 N CA 1.827 54.758 53.050 -0.198 0.000 0.853 97 N CB 0.045 38.380 38.487 -0.253 0.000 1.008 97 N HN 0.226 nan 8.380 nan 0.000 0.424 98 T N 1.307 115.721 114.554 -0.234 0.000 2.746 98 T HA -0.069 4.274 4.350 -0.011 0.000 0.267 98 T C 2.068 176.706 174.700 -0.104 0.000 1.039 98 T CA 1.107 63.088 62.100 -0.198 0.000 1.142 98 T CB -0.076 68.633 68.868 -0.265 0.000 0.866 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.577 120.132 119.600 -0.076 0.000 2.086 99 M HA -0.093 4.380 4.480 -0.011 0.000 0.261 99 M C 2.503 178.769 176.300 -0.056 0.000 1.067 99 M CA 1.284 56.553 55.300 -0.052 0.000 1.116 99 M CB -0.711 31.874 32.600 -0.025 0.000 1.348 99 M HN 0.099 nan 8.290 nan 0.000 0.407 100 V N 1.114 121.000 119.914 -0.046 0.000 2.252 100 V HA -0.298 3.815 4.120 -0.011 0.000 0.249 100 V C 1.871 177.977 176.094 0.021 0.000 1.056 100 V CA 2.048 64.348 62.300 -0.000 0.000 1.022 100 V CB -0.928 30.895 31.823 0.000 0.000 0.641 100 V HN 0.481 nan 8.190 nan 0.000 0.445 101 N N -0.404 118.294 118.700 -0.004 0.000 2.396 101 N HA -0.048 4.686 4.740 -0.011 0.000 0.180 101 N C 1.127 176.546 175.510 -0.153 0.000 1.028 101 N CA 0.784 53.816 53.050 -0.030 0.000 0.893 101 N CB -0.151 38.324 38.487 -0.020 0.000 0.967 101 N HN 0.295 nan 8.380 nan 0.000 0.440 102 L N -0.117 121.032 121.223 -0.124 0.000 2.640 102 L HA 0.388 4.722 4.340 -0.011 0.000 0.230 102 L C 0.581 177.365 176.870 -0.142 0.000 1.123 102 L CA -0.227 54.536 54.840 -0.127 0.000 0.900 102 L CB -0.766 41.239 42.059 -0.090 0.000 1.146 102 L HN 0.105 nan 8.230 nan 0.000 0.484 103 A N -0.544 122.189 122.820 -0.145 0.000 2.846 103 A HA -0.211 4.103 4.320 -0.011 0.000 0.287 103 A C 0.970 178.494 177.584 -0.100 0.000 1.469 103 A CA 0.902 52.865 52.037 -0.123 0.000 0.757 103 A CB -1.937 16.977 19.000 -0.144 0.000 1.033 103 A HN 0.206 nan 8.150 nan 0.000 0.516 104 L N -0.881 120.285 121.223 -0.096 0.000 2.766 104 L HA 0.269 4.603 4.340 -0.011 0.000 0.242 104 L C 1.774 178.607 176.870 -0.061 0.000 1.136 104 L CA 1.425 56.204 54.840 -0.102 0.000 0.933 104 L CB -0.190 41.781 42.059 -0.148 0.000 1.241 104 L HN 0.630 nan 8.230 nan 0.000 0.522 105 E N -0.077 120.097 120.200 -0.045 0.000 2.031 105 E HA -0.219 4.124 4.350 -0.011 0.000 0.193 105 E C 1.584 178.170 176.600 -0.023 0.000 0.994 105 E CA 1.393 57.777 56.400 -0.026 0.000 0.800 105 E CB 0.275 29.962 29.700 -0.022 0.000 0.752 105 E HN 0.382 nan 8.360 nan 0.000 0.447 106 N N 0.158 118.841 118.700 -0.028 0.000 2.120 106 N HA -0.130 4.603 4.740 -0.011 0.000 0.188 106 N C 1.573 177.067 175.510 -0.026 0.000 1.024 106 N CA 1.227 54.260 53.050 -0.029 0.000 0.852 106 N CB -0.416 38.053 38.487 -0.030 0.000 1.003 106 N HN 0.232 nan 8.380 nan 0.000 0.424 107 A N 0.468 123.271 122.820 -0.029 0.000 1.883 107 A HA -0.163 4.150 4.320 -0.011 0.000 0.217 107 A C 2.660 180.237 177.584 -0.012 0.000 1.186 107 A CA 1.471 53.495 52.037 -0.023 0.000 0.624 107 A CB -1.050 17.928 19.000 -0.037 0.000 0.822 107 A HN 0.450 nan 8.150 nan 0.000 0.444 108 C N -0.919 118.374 119.300 -0.011 0.000 2.440 108 C HA -0.055 4.398 4.460 -0.011 0.000 0.278 108 C C 2.453 177.446 174.990 0.004 0.000 1.295 108 C CA 1.063 60.086 59.018 0.007 0.000 1.738 108 C CB -1.155 26.600 27.740 0.026 0.000 1.987 108 C HN 0.709 nan 8.230 nan 0.000 0.492 109 D N 0.769 121.169 120.400 0.000 0.000 2.097 109 D HA -0.147 4.486 4.640 -0.011 0.000 0.195 109 D C 2.120 178.431 176.300 0.018 0.000 0.989 109 D CA 1.537 55.538 54.000 0.002 0.000 0.827 109 D CB -0.226 40.562 40.800 -0.020 0.000 0.966 109 D HN 0.466 nan 8.370 nan 0.000 0.456 110 E N 0.157 120.361 120.200 0.008 0.000 2.028 110 E HA -0.063 4.281 4.350 -0.011 0.000 0.191 110 E C 1.907 178.544 176.600 0.061 0.000 0.988 110 E CA 1.629 58.053 56.400 0.041 0.000 0.799 110 E CB -0.619 29.090 29.700 0.014 0.000 0.755 110 E HN 0.217 nan 8.360 nan 0.000 0.447 111 A N -0.102 122.724 122.820 0.009 0.000 1.883 111 A HA -0.235 4.078 4.320 -0.011 0.000 0.217 111 A C 2.498 180.014 177.584 -0.113 0.000 1.186 111 A CA 2.982 54.999 52.037 -0.034 0.000 0.624 111 A CB -1.507 17.477 19.000 -0.027 0.000 0.822 111 A HN 0.531 nan 8.150 nan 0.000 0.444 112 T N -3.760 110.721 114.554 -0.122 0.000 2.821 112 T HA -0.203 4.141 4.350 -0.011 0.000 0.267 112 T C 1.853 176.480 174.700 -0.120 0.000 1.046 112 T CA 1.488 63.461 62.100 -0.212 0.000 1.139 112 T CB -0.589 68.191 68.868 -0.146 0.000 0.871 112 T HN 0.455 nan 8.240 nan 0.000 0.454 113 Y N 2.238 122.461 120.300 -0.128 0.000 2.165 113 Y HA -0.104 4.440 4.550 -0.010 0.000 0.286 113 Y C 2.635 178.476 175.900 -0.098 0.000 1.155 113 Y CA 1.570 59.613 58.100 -0.095 0.000 1.164 113 Y CB -0.499 37.924 38.460 -0.062 0.000 0.978 113 Y HN 0.250 nan 8.280 nan 0.000 0.513 114 Q N -0.975 118.771 119.800 -0.089 0.000 2.291 114 Q HA -0.114 4.220 4.340 -0.011 0.000 0.205 114 Q C 1.429 177.314 176.000 -0.192 0.000 0.970 114 Q CA 0.772 56.484 55.803 -0.151 0.000 0.876 114 Q CB -0.032 28.681 28.738 -0.041 0.000 0.935 114 Q HN 0.355 nan 8.270 nan 0.000 0.455 115 L N -1.027 120.062 121.223 -0.223 0.000 2.591 115 L HA 0.159 4.492 4.340 -0.011 0.000 0.228 115 L C 1.132 177.845 176.870 -0.260 0.000 1.133 115 L CA 1.151 55.842 54.840 -0.247 0.000 0.880 115 L CB -0.213 41.620 42.059 -0.376 0.000 1.033 115 L HN 0.301 nan 8.230 nan 0.000 0.450 116 G N -0.244 108.386 108.800 -0.282 0.000 2.149 116 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.235 116 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.235 116 G C 0.053 174.819 174.900 -0.224 0.000 1.018 116 G CA 0.211 45.154 45.100 -0.261 0.000 0.728 116 G HN 0.269 nan 8.290 nan 0.000 0.508 117 L N -0.146 120.944 121.223 -0.222 0.000 2.354 117 L HA 0.625 4.958 4.340 -0.011 0.000 0.269 117 L C -0.603 176.238 176.870 -0.049 0.000 1.005 117 L CA -1.175 53.563 54.840 -0.170 0.000 0.819 117 L CB 1.901 43.796 42.059 -0.273 0.000 1.311 117 L HN 0.077 nan 8.230 nan 0.000 0.423 118 D N 2.043 122.444 120.400 0.001 0.000 2.373 118 D HA 0.191 4.824 4.640 -0.011 0.000 0.227 118 D C 0.583 176.915 176.300 0.053 0.000 1.091 118 D CA -0.250 53.780 54.000 0.050 0.000 0.840 118 D CB 1.595 42.430 40.800 0.057 0.000 1.060 118 D HN 0.502 nan 8.370 nan 0.000 0.502 119 M N 3.130 122.762 119.600 0.054 0.000 2.159 119 M HA -0.128 4.346 4.480 -0.011 0.000 0.263 119 M C 1.291 177.634 176.300 0.071 0.000 1.063 119 M CA 1.495 56.834 55.300 0.066 0.000 1.110 119 M CB 0.224 32.855 32.600 0.052 0.000 1.374 119 M HN 0.419 nan 8.290 nan 0.000 0.411 120 E N -0.236 119.997 120.200 0.054 0.000 2.150 120 E HA -0.246 4.098 4.350 -0.011 0.000 0.193 120 E C 1.825 178.457 176.600 0.054 0.000 0.985 120 E CA 1.258 57.686 56.400 0.047 0.000 0.814 120 E CB -0.146 29.578 29.700 0.040 0.000 0.752 120 E HN 0.635 nan 8.360 nan 0.000 0.466 121 E N 0.541 120.779 120.200 0.063 0.000 2.072 121 E HA -0.193 4.151 4.350 -0.011 0.000 0.191 121 E C 1.926 178.570 176.600 0.073 0.000 0.985 121 E CA 0.594 57.034 56.400 0.067 0.000 0.801 121 E CB 0.174 29.917 29.700 0.071 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.452 122 L N 1.514 122.801 121.223 0.107 0.000 2.093 122 L HA -0.141 4.192 4.340 -0.011 0.000 0.208 122 L C 2.090 179.020 176.870 0.100 0.000 1.085 122 L CA 1.647 56.583 54.840 0.159 0.000 0.755 122 L CB -0.668 41.536 42.059 0.242 0.000 0.904 122 L HN 0.144 nan 8.230 nan 0.000 0.435 123 E N -0.713 119.535 120.200 0.080 0.000 2.153 123 E HA -0.199 4.145 4.350 -0.011 0.000 0.194 123 E C 1.795 178.353 176.600 -0.070 0.000 0.988 123 E CA 0.796 57.212 56.400 0.027 0.000 0.811 123 E CB 0.003 29.724 29.700 0.035 0.000 0.746 123 E HN 0.408 nan 8.360 nan 0.000 0.466 124 E N 0.227 120.401 120.200 -0.043 0.000 2.418 124 E HA -0.100 4.243 4.350 -0.011 0.000 0.197 124 E C 1.834 178.369 176.600 -0.108 0.000 1.026 124 E CA 0.513 56.888 56.400 -0.042 0.000 0.862 124 E CB 0.060 29.773 29.700 0.022 0.000 0.799 124 E HN 0.407 nan 8.360 nan 0.000 0.518 125 I N 0.769 121.208 120.570 -0.219 0.000 2.500 125 I HA -0.106 4.058 4.170 -0.011 0.000 0.252 125 I C 1.401 177.215 176.117 -0.504 0.000 1.142 125 I CA 0.243 61.348 61.300 -0.325 0.000 1.451 125 I CB 0.085 37.891 38.000 -0.324 0.000 1.093 125 I HN -0.025 nan 8.210 nan 0.000 0.430 126 E N 2.715 122.472 120.200 -0.738 0.000 2.452 126 E HA -0.058 4.285 4.350 -0.011 0.000 0.261 126 E C -0.219 176.288 176.600 -0.154 0.000 0.987 126 E CA -0.095 55.952 56.400 -0.587 0.000 0.926 126 E CB 0.583 30.051 29.700 -0.386 0.000 0.934 126 E HN 0.106 nan 8.360 nan 0.000 0.452 127 E N 3.357 123.565 120.200 0.014 0.000 2.354 127 E HA 0.057 4.401 4.350 -0.011 0.000 0.269 127 E C -0.776 175.922 176.600 0.164 0.000 1.036 127 E CA -0.326 56.159 56.400 0.142 0.000 0.876 127 E CB 0.755 30.624 29.700 0.281 0.000 1.009 127 E HN 0.490 nan 8.360 nan 0.000 0.416 128 D N 0.858 121.334 120.400 0.125 0.000 2.455 128 D HA 0.109 4.743 4.640 -0.011 0.000 0.241 128 D C -0.344 176.003 176.300 0.080 0.000 1.138 128 D CA 0.246 54.305 54.000 0.098 0.000 0.877 128 D CB 0.574 41.434 40.800 0.100 0.000 1.187 128 D HN 0.364 nan 8.370 nan 0.000 0.451 129 A N 2.446 125.269 122.820 0.006 0.000 2.539 129 A HA 0.478 4.792 4.320 -0.011 0.000 0.306 129 A C 1.006 178.421 177.584 -0.283 0.000 1.392 129 A CA -0.345 51.503 52.037 -0.316 0.000 1.060 129 A CB -0.165 18.716 19.000 -0.198 0.000 1.134 129 A HN 0.517 nan 8.150 nan 0.000 0.542 130 G N 2.204 110.730 108.800 -0.457 0.000 3.943 130 G HA2 0.427 4.381 3.960 -0.011 0.000 0.275 130 G HA3 0.427 4.381 3.960 -0.011 0.000 0.275 130 G C 0.268 174.778 174.900 -0.650 0.000 1.234 130 G CA -0.294 44.496 45.100 -0.516 0.000 1.522 130 G HN 0.683 nan 8.290 nan 0.000 0.636 131 L N 1.355 122.296 121.223 -0.469 0.000 2.862 131 L HA 0.394 4.727 4.340 -0.011 0.000 0.240 131 L C 1.030 177.816 176.870 -0.139 0.000 1.283 131 L CA -0.196 54.529 54.840 -0.191 0.000 1.117 131 L CB -0.272 41.812 42.059 0.042 0.000 1.444 131 L HN 0.331 nan 8.230 nan 0.000 0.456 132 G N -1.318 107.202 108.800 -0.466 0.000 2.623 132 G HA2 0.173 4.126 3.960 -0.011 0.000 0.290 132 G HA3 0.173 4.126 3.960 -0.011 0.000 0.290 132 G C -0.156 174.501 174.900 -0.406 0.000 1.437 132 G CA -0.455 44.464 45.100 -0.301 0.000 0.798 132 G HN -0.095 nan 8.290 nan 0.000 0.488 133 N N -0.812 117.829 118.700 -0.098 0.000 2.402 133 N HA 0.226 4.959 4.740 -0.011 0.000 0.174 133 N C 1.162 176.752 175.510 0.133 0.000 1.027 133 N CA 1.356 54.397 53.050 -0.015 0.000 0.891 133 N CB 1.240 39.759 38.487 0.054 0.000 1.016 133 N HN 0.911 nan 8.380 nan 0.000 0.439 134 G N -0.642 108.293 108.800 0.225 0.000 2.600 134 G HA2 0.087 4.041 3.960 -0.011 0.000 0.072 134 G HA3 0.087 4.041 3.960 -0.011 0.000 0.072 134 G C 0.737 175.724 174.900 0.145 0.000 1.051 134 G CA 0.176 45.408 45.100 0.221 0.000 1.230 134 G HN 0.152 nan 8.290 nan 0.000 0.547 135 G N 0.426 109.271 108.800 0.076 0.000 2.446 135 G HA2 -0.024 3.929 3.960 -0.011 0.000 0.217 135 G HA3 -0.024 3.929 3.960 -0.011 0.000 0.217 135 G C 1.905 176.793 174.900 -0.021 0.000 1.168 135 G CA 1.619 46.729 45.100 0.017 0.000 0.771 135 G HN 0.866 nan 8.290 nan 0.000 0.551 136 L N 0.629 121.829 121.223 -0.038 0.000 2.027 136 L HA 0.123 4.457 4.340 -0.011 0.000 0.206 136 L C 2.852 179.659 176.870 -0.104 0.000 1.074 136 L CA 1.986 56.732 54.840 -0.156 0.000 0.745 136 L CB -0.564 41.371 42.059 -0.206 0.000 0.898 136 L HN 0.222 nan 8.230 nan 0.000 0.433 137 G N -0.716 108.084 108.800 0.000 0.000 2.408 137 G HA2 -0.306 3.647 3.960 -0.011 0.000 0.217 137 G HA3 -0.306 3.647 3.960 -0.011 0.000 0.217 137 G C 1.649 176.609 174.900 0.101 0.000 1.150 137 G CA 0.730 45.859 45.100 0.048 0.000 0.776 137 G HN 0.297 nan 8.290 nan 0.000 0.542 138 R N -0.019 120.543 120.500 0.104 0.000 2.115 138 R HA 0.141 4.475 4.340 -0.011 0.000 0.226 138 R C 2.312 178.607 176.300 -0.008 0.000 1.100 138 R CA 0.788 56.927 56.100 0.066 0.000 0.980 138 R CB -0.857 29.442 30.300 -0.001 0.000 0.875 138 R HN 0.329 nan 8.270 nan 0.000 0.445 139 L N 0.204 121.356 121.223 -0.118 0.000 2.012 139 L HA -0.041 4.293 4.340 -0.011 0.000 0.210 139 L C 2.111 178.699 176.870 -0.469 0.000 1.073 139 L CA 2.216 56.851 54.840 -0.342 0.000 0.748 139 L CB -0.858 40.958 42.059 -0.406 0.000 0.891 139 L HN 0.260 nan 8.230 nan 0.000 0.431 140 A N -0.589 122.084 122.820 -0.246 0.000 1.908 140 A HA -0.192 4.121 4.320 -0.011 0.000 0.218 140 A C 2.437 180.081 177.584 0.101 0.000 1.181 140 A CA 2.036 54.008 52.037 -0.108 0.000 0.627 140 A CB -1.193 17.701 19.000 -0.176 0.000 0.818 140 A HN 0.589 nan 8.150 nan 0.000 0.445 141 A N -1.106 121.803 122.820 0.149 0.000 1.873 141 A HA -0.145 4.168 4.320 -0.011 0.000 0.215 141 A C 2.320 179.981 177.584 0.128 0.000 1.186 141 A CA 1.617 53.765 52.037 0.185 0.000 0.616 141 A CB -1.281 17.818 19.000 0.164 0.000 0.823 141 A HN 0.605 nan 8.150 nan 0.000 0.442 142 C N -1.433 117.943 119.300 0.126 0.000 2.429 142 C HA -0.083 4.370 4.460 -0.011 0.000 0.277 142 C C 2.428 177.583 174.990 0.276 0.000 1.262 142 C CA 0.680 59.811 59.018 0.188 0.000 1.733 142 C CB -1.648 26.223 27.740 0.219 0.000 2.010 142 C HN 0.602 nan 8.230 nan 0.000 0.483 143 F N 1.179 121.116 119.950 -0.022 0.000 2.126 143 F HA -0.090 4.430 4.527 -0.011 0.000 0.299 143 F C 2.253 177.991 175.800 -0.104 0.000 1.096 143 F CA 1.046 58.980 58.000 -0.110 0.000 1.255 143 F CB -1.371 37.435 39.000 -0.324 0.000 0.997 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.416 120.878 121.223 0.119 0.000 2.046 144 L HA -0.256 4.078 4.340 -0.011 0.000 0.208 144 L C 2.176 179.053 176.870 0.011 0.000 1.077 144 L CA 1.953 56.816 54.840 0.037 0.000 0.747 144 L CB -0.779 41.303 42.059 0.038 0.000 0.896 144 L HN 0.105 nan 8.230 nan 0.000 0.432 145 D N -0.473 119.946 120.400 0.031 0.000 2.104 145 D HA -0.181 4.452 4.640 -0.011 0.000 0.194 145 D C 2.209 178.522 176.300 0.022 0.000 0.994 145 D CA 1.585 55.590 54.000 0.009 0.000 0.830 145 D CB 0.187 40.992 40.800 0.008 0.000 0.959 145 D HN 0.082 nan 8.370 nan 0.000 0.452 146 S N -0.754 114.975 115.700 0.049 0.000 2.383 146 S HA -0.116 4.348 4.470 -0.011 0.000 0.227 146 S C 2.002 176.611 174.600 0.015 0.000 1.026 146 S CA 0.889 59.110 58.200 0.035 0.000 0.981 146 S CB -0.233 62.993 63.200 0.042 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 0.961 120.561 119.600 0.001 0.000 2.159 147 M HA -0.117 4.357 4.480 -0.011 0.000 0.263 147 M C 2.448 178.744 176.300 -0.007 0.000 1.063 147 M CA 1.477 56.773 55.300 -0.006 0.000 1.110 147 M CB -0.507 32.067 32.600 -0.043 0.000 1.374 147 M HN 0.403 nan 8.290 nan 0.000 0.411 148 A N -0.346 122.467 122.820 -0.012 0.000 1.898 148 A HA -0.116 4.198 4.320 -0.011 0.000 0.216 148 A C 2.157 179.753 177.584 0.019 0.000 1.181 148 A CA 1.989 54.024 52.037 -0.004 0.000 0.620 148 A CB -1.047 17.935 19.000 -0.031 0.000 0.819 148 A HN 0.422 nan 8.150 nan 0.000 0.442 149 T N 0.352 114.922 114.554 0.027 0.000 2.833 149 T HA -0.024 4.320 4.350 -0.011 0.000 0.269 149 T C 1.352 176.080 174.700 0.047 0.000 1.054 149 T CA 1.210 63.341 62.100 0.051 0.000 1.135 149 T CB -0.281 68.625 68.868 0.064 0.000 0.869 149 T HN 0.347 nan 8.240 nan 0.000 0.466 150 L N 0.448 121.695 121.223 0.039 0.000 2.629 150 L HA 0.302 4.636 4.340 -0.011 0.000 0.230 150 L C 1.636 178.536 176.870 0.050 0.000 1.151 150 L CA -0.054 54.812 54.840 0.043 0.000 0.924 150 L CB -0.403 41.681 42.059 0.042 0.000 1.137 150 L HN 0.401 nan 8.230 nan 0.000 0.457 151 G N 1.079 109.912 108.800 0.054 0.000 2.249 151 G HA2 -0.286 3.668 3.960 -0.011 0.000 0.273 151 G HA3 -0.286 3.668 3.960 -0.011 0.000 0.273 151 G C 0.114 175.064 174.900 0.082 0.000 1.036 151 G CA 0.029 45.179 45.100 0.084 0.000 0.824 151 G HN 0.285 nan 8.290 nan 0.000 0.504 152 L N -0.156 121.083 121.223 0.026 0.000 2.350 152 L HA 0.606 4.940 4.340 -0.011 0.000 0.275 152 L C 1.230 177.980 176.870 -0.200 0.000 1.099 152 L CA -0.350 54.457 54.840 -0.055 0.000 0.808 152 L CB 1.547 43.583 42.059 -0.039 0.000 1.149 152 L HN 0.255 nan 8.230 nan 0.000 0.442 153 A N 3.046 125.608 122.820 -0.429 0.000 2.981 153 A HA 0.549 4.862 4.320 -0.011 0.000 0.280 153 A C 0.311 177.514 177.584 -0.635 0.000 1.743 153 A CA -0.140 51.344 52.037 -0.921 0.000 1.430 153 A CB -0.695 17.649 19.000 -1.094 0.000 1.085 153 A HN 0.700 nan 8.150 nan 0.000 0.597 154 A N 1.576 124.064 122.820 -0.554 0.000 2.337 154 A HA 0.784 5.097 4.320 -0.011 0.000 0.329 154 A C -1.063 176.226 177.584 -0.490 0.000 1.146 154 A CA -0.457 51.329 52.037 -0.418 0.000 0.800 154 A CB 0.783 19.621 19.000 -0.269 0.000 1.220 154 A HN 0.617 nan 8.150 nan 0.000 0.472 155 Y N 0.535 120.744 120.300 -0.151 0.000 2.346 155 Y HA 0.526 5.070 4.550 -0.010 0.000 0.332 155 Y C 0.849 176.821 175.900 0.121 0.000 0.985 155 Y CA -0.520 57.565 58.100 -0.024 0.000 1.112 155 Y CB 2.367 40.895 38.460 0.113 0.000 1.170 155 Y HN 0.840 nan 8.280 nan 0.000 0.447 156 G N 2.356 111.226 108.800 0.117 0.000 2.353 156 G HA2 0.437 4.391 3.960 -0.011 0.000 0.284 156 G HA3 0.437 4.391 3.960 -0.011 0.000 0.284 156 G C -1.696 173.206 174.900 0.003 0.000 1.172 156 G CA -0.205 44.997 45.100 0.171 0.000 0.854 156 G HN 0.529 nan 8.290 nan 0.000 0.485 157 Y N 0.950 121.468 120.300 0.363 0.000 2.361 157 Y HA 0.628 5.171 4.550 -0.011 0.000 0.337 157 Y C 0.732 176.928 175.900 0.493 0.000 0.965 157 Y CA 0.201 58.484 58.100 0.305 0.000 1.091 157 Y CB 2.700 41.370 38.460 0.349 0.000 1.182 157 Y HN 0.891 nan 8.280 nan 0.000 0.450 158 G N 2.276 111.385 108.800 0.515 0.000 2.772 158 G HA2 0.582 4.535 3.960 -0.011 0.000 0.284 158 G HA3 0.582 4.535 3.960 -0.011 0.000 0.284 158 G C -1.770 173.359 174.900 0.382 0.000 1.217 158 G CA -0.815 44.615 45.100 0.550 0.000 0.831 158 G HN 0.422 nan 8.290 nan 0.000 0.523 159 I N 0.608 121.303 120.570 0.209 0.000 2.474 159 I HA 0.438 4.602 4.170 -0.011 0.000 0.294 159 I C 0.237 176.258 176.117 -0.161 0.000 1.005 159 I CA -0.730 60.585 61.300 0.026 0.000 1.113 159 I CB 2.238 40.097 38.000 -0.235 0.000 1.289 159 I HN 0.347 nan 8.210 nan 0.000 0.436 160 R N 6.071 126.575 120.500 0.006 0.000 2.419 160 R HA 0.235 4.568 4.340 -0.011 0.000 0.305 160 R C -1.273 175.066 176.300 0.064 0.000 1.242 160 R CA -0.425 55.707 56.100 0.053 0.000 1.105 160 R CB 0.000 30.316 30.300 0.025 0.000 1.116 160 R HN 0.400 nan 8.270 nan 0.000 0.523 161 Y N 1.587 122.037 120.300 0.251 0.000 2.425 161 Y HA -0.071 4.472 4.550 -0.011 0.000 0.331 161 Y C 1.591 177.658 175.900 0.279 0.000 1.157 161 Y CA 0.030 58.267 58.100 0.228 0.000 1.372 161 Y CB 0.831 39.402 38.460 0.184 0.000 1.253 161 Y HN 0.597 nan 8.280 nan 0.000 0.536 162 E N 2.076 122.442 120.200 0.278 0.000 2.106 162 E HA -0.065 4.278 4.350 -0.011 0.000 0.192 162 E C -0.746 175.698 176.600 -0.260 0.000 0.984 162 E CA 0.728 57.083 56.400 -0.076 0.000 0.806 162 E CB 0.171 29.732 29.700 -0.231 0.000 0.750 162 E HN 0.505 nan 8.360 nan 0.000 0.458 163 F N -0.302 119.861 119.950 0.355 0.000 2.477 163 F HA 0.446 4.967 4.527 -0.011 0.000 0.335 163 F C 0.777 176.661 175.800 0.139 0.000 1.130 163 F CA -0.862 57.303 58.000 0.275 0.000 0.948 163 F CB 1.881 40.975 39.000 0.156 0.000 1.154 163 F HN -0.099 nan 8.300 nan 0.000 0.439 164 G N 1.840 110.742 108.800 0.170 0.000 2.582 164 G HA2 0.339 4.292 3.960 -0.011 0.000 0.232 164 G HA3 0.339 4.292 3.960 -0.011 0.000 0.232 164 G C -0.533 174.312 174.900 -0.092 0.000 1.458 164 G CA -0.673 44.362 45.100 -0.109 0.000 1.062 164 G HN 0.552 nan 8.290 nan 0.000 0.566 165 I N 0.983 121.411 120.570 -0.236 0.000 2.752 165 I HA 0.209 4.373 4.170 -0.011 0.000 0.289 165 I C 0.522 176.537 176.117 -0.170 0.000 1.197 165 I CA -1.061 60.083 61.300 -0.259 0.000 1.432 165 I CB -0.280 37.471 38.000 -0.416 0.000 1.359 165 I HN 0.325 nan 8.210 nan 0.000 0.571 166 F N 6.287 126.246 119.950 0.015 0.000 2.595 166 F HA 0.238 4.759 4.527 -0.010 0.000 0.359 166 F C 0.518 176.367 175.800 0.081 0.000 1.147 166 F CA -0.598 57.433 58.000 0.052 0.000 1.341 166 F CB -0.360 38.661 39.000 0.036 0.000 1.104 166 F HN 0.422 nan 8.300 nan 0.000 0.603 167 N N 2.422 121.295 118.700 0.290 0.000 2.497 167 N HA 0.035 4.768 4.740 -0.011 0.000 0.271 167 N C -0.748 174.998 175.510 0.392 0.000 1.142 167 N CA -0.230 52.968 53.050 0.247 0.000 0.965 167 N CB 1.119 39.733 38.487 0.212 0.000 1.077 167 N HN 0.750 nan 8.380 nan 0.000 0.462 168 Q N 2.476 122.481 119.800 0.342 0.000 2.296 168 Q HA 0.162 4.495 4.340 -0.011 0.000 0.257 168 Q C -0.918 175.252 176.000 0.283 0.000 0.942 168 Q CA -0.394 55.644 55.803 0.392 0.000 0.939 168 Q CB 0.674 29.648 28.738 0.394 0.000 1.198 168 Q HN 0.233 nan 8.270 nan 0.000 0.429 169 K N 4.044 124.586 120.400 0.236 0.000 2.203 169 K HA 0.484 4.797 4.320 -0.011 0.000 0.251 169 K C -0.610 176.091 176.600 0.169 0.000 0.944 169 K CA -0.887 55.516 56.287 0.193 0.000 0.829 169 K CB 1.568 34.158 32.500 0.150 0.000 1.125 169 K HN 0.624 nan 8.250 nan 0.000 0.430 170 I N 2.355 123.018 120.570 0.156 0.000 2.330 170 I HA 0.214 4.378 4.170 -0.011 0.000 0.289 170 I C -0.352 175.824 176.117 0.098 0.000 1.001 170 I CA -0.635 60.728 61.300 0.104 0.000 1.193 170 I CB 0.797 38.841 38.000 0.074 0.000 1.345 170 I HN 0.403 nan 8.210 nan 0.000 0.461 171 C N 4.040 123.407 119.300 0.113 0.000 2.322 171 C HA 0.585 5.039 4.460 -0.011 0.000 0.324 171 C C 1.146 176.241 174.990 0.174 0.000 1.249 171 C CA -0.482 58.607 59.018 0.119 0.000 1.453 171 C CB 0.466 28.269 27.740 0.105 0.000 2.145 171 C HN 1.091 nan 8.230 nan 0.000 0.466 172 G N 2.469 111.344 108.800 0.125 0.000 2.249 172 G HA2 0.116 4.069 3.960 -0.011 0.000 0.273 172 G HA3 0.116 4.069 3.960 -0.011 0.000 0.273 172 G C 1.085 176.007 174.900 0.037 0.000 1.036 172 G CA 0.963 46.147 45.100 0.140 0.000 0.824 172 G HN 2.374 nan 8.290 nan 0.000 0.504 173 G N -2.922 105.838 108.800 -0.067 0.000 2.179 173 G HA2 -0.290 3.663 3.960 -0.011 0.000 0.260 173 G HA3 -0.290 3.663 3.960 -0.011 0.000 0.260 173 G C 0.341 174.995 174.900 -0.411 0.000 0.977 173 G CA 0.640 45.572 45.100 -0.279 0.000 0.641 173 G HN 1.203 nan 8.290 nan 0.000 0.533 174 W N 0.877 122.122 121.300 -0.092 0.000 2.496 174 W HA 0.654 5.308 4.660 -0.010 0.000 0.327 174 W C 0.629 177.096 176.519 -0.087 0.000 1.086 174 W CA -0.915 56.371 57.345 -0.098 0.000 1.222 174 W CB 0.883 30.302 29.460 -0.068 0.000 1.304 174 W HN 0.246 nan 8.180 nan 0.000 0.547 175 Q N 3.429 123.322 119.800 0.154 0.000 2.297 175 Q HA 0.188 4.521 4.340 -0.011 0.000 0.267 175 Q C -0.512 175.546 176.000 0.097 0.000 1.006 175 Q CA 0.226 56.094 55.803 0.108 0.000 0.896 175 Q CB 0.522 29.317 28.738 0.094 0.000 1.186 175 Q HN 0.327 nan 8.270 nan 0.000 0.392 176 M N 3.118 122.770 119.600 0.086 0.000 2.528 176 M HA 0.388 4.862 4.480 -0.011 0.000 0.321 176 M C -1.000 175.310 176.300 0.017 0.000 1.153 176 M CA -0.682 54.637 55.300 0.031 0.000 0.951 176 M CB 1.789 34.418 32.600 0.048 0.000 1.705 176 M HN 0.603 nan 8.290 nan 0.000 0.451 177 E N 1.620 121.764 120.200 -0.094 0.000 2.179 177 E HA 0.472 4.816 4.350 -0.011 0.000 0.275 177 E C -0.895 175.701 176.600 -0.007 0.000 0.945 177 E CA -0.529 55.789 56.400 -0.137 0.000 0.792 177 E CB 1.555 30.934 29.700 -0.534 0.000 1.125 177 E HN 0.448 nan 8.360 nan 0.000 0.397 178 E N 0.805 121.075 120.200 0.116 0.000 2.343 178 E HA 0.712 5.055 4.350 -0.011 0.000 0.270 178 E C -1.020 175.666 176.600 0.143 0.000 0.895 178 E CA -1.626 54.831 56.400 0.094 0.000 0.767 178 E CB 1.510 31.267 29.700 0.095 0.000 1.248 178 E HN 0.454 nan 8.360 nan 0.000 0.440 179 A N 1.719 124.579 122.820 0.066 0.000 2.546 179 A HA 0.019 4.332 4.320 -0.011 0.000 0.243 179 A C -0.123 177.617 177.584 0.261 0.000 1.063 179 A CA 0.119 52.200 52.037 0.073 0.000 0.757 179 A CB -0.188 18.702 19.000 -0.183 0.000 0.991 179 A HN 0.675 nan 8.150 nan 0.000 0.503 180 D N 1.957 122.579 120.400 0.371 0.000 2.483 180 D HA 0.181 4.815 4.640 -0.011 0.000 0.220 180 D C -0.365 176.265 176.300 0.550 0.000 1.173 180 D CA -0.170 54.060 54.000 0.383 0.000 0.964 180 D CB 0.355 41.313 40.800 0.263 0.000 1.046 180 D HN 0.383 nan 8.370 nan 0.000 0.517 181 D N 3.978 124.660 120.400 0.471 0.000 2.801 181 D HA -0.025 4.608 4.640 -0.011 0.000 0.232 181 D C 1.130 177.561 176.300 0.219 0.000 1.128 181 D CA -0.551 53.656 54.000 0.345 0.000 1.003 181 D CB -0.199 40.793 40.800 0.319 0.000 1.110 181 D HN 0.568 nan 8.370 nan 0.000 0.477 182 W N 1.685 123.017 121.300 0.053 0.000 2.525 182 W HA -0.047 4.606 4.660 -0.011 0.000 0.259 182 W C 0.119 176.686 176.519 0.081 0.000 1.253 182 W CA 0.130 57.525 57.345 0.084 0.000 1.262 182 W CB -0.712 28.797 29.460 0.081 0.000 1.122 182 W HN 0.176 nan 8.180 nan 0.000 0.607 183 L N 0.978 121.845 121.223 -0.592 0.000 2.607 183 L HA 0.186 4.520 4.340 -0.011 0.000 0.228 183 L C 2.761 179.463 176.870 -0.281 0.000 1.123 183 L CA -0.019 54.441 54.840 -0.632 0.000 0.890 183 L CB -0.623 40.930 42.059 -0.842 0.000 1.103 183 L HN -0.109 nan 8.230 nan 0.000 0.468 184 R N 0.563 120.959 120.500 -0.174 0.000 2.096 184 R HA -0.227 4.106 4.340 -0.011 0.000 0.240 184 R C 1.343 177.469 176.300 -0.289 0.000 1.139 184 R CA 2.071 58.029 56.100 -0.235 0.000 0.952 184 R CB -0.189 29.946 30.300 -0.275 0.000 0.854 184 R HN 0.301 nan 8.270 nan 0.000 0.436 185 Y N -0.259 120.058 120.300 0.027 0.000 2.461 185 Y HA 0.315 4.858 4.550 -0.011 0.000 0.277 185 Y C 0.810 176.700 175.900 -0.018 0.000 1.182 185 Y CA 0.475 58.601 58.100 0.043 0.000 1.276 185 Y CB 0.743 39.346 38.460 0.237 0.000 1.087 185 Y HN 0.440 nan 8.280 nan 0.000 0.519 186 G N 1.364 110.198 108.800 0.057 0.000 2.712 186 G HA2 -0.241 3.712 3.960 -0.011 0.000 0.686 186 G HA3 -0.241 3.712 3.960 -0.011 0.000 0.686 186 G C -1.126 173.836 174.900 0.102 0.000 1.321 186 G CA -0.769 44.329 45.100 -0.002 0.000 0.813 186 G HN 0.281 nan 8.290 nan 0.000 0.599 187 N N 1.382 120.087 118.700 0.008 0.000 2.569 187 N HA 0.566 5.300 4.740 -0.011 0.000 0.254 187 N C -0.561 174.947 175.510 -0.004 0.000 1.004 187 N CA -2.024 51.056 53.050 0.050 0.000 0.904 187 N CB 1.904 40.359 38.487 -0.053 0.000 1.165 187 N HN 0.232 nan 8.380 nan 0.000 0.513 188 P HA -0.014 nan 4.420 nan 0.000 0.226 188 P C 0.566 177.562 177.300 -0.507 0.000 1.153 188 P CA 0.857 63.650 63.100 -0.511 0.000 0.777 188 P CB 0.078 31.183 31.700 -0.991 0.000 0.794 189 W N 1.769 123.081 121.300 0.021 0.000 2.658 189 W HA 0.064 4.718 4.660 -0.010 0.000 0.263 189 W C 1.209 177.762 176.519 0.057 0.000 1.274 189 W CA -0.393 56.958 57.345 0.009 0.000 1.343 189 W CB -0.201 29.267 29.460 0.013 0.000 1.106 189 W HN 0.020 nan 8.180 nan 0.000 0.615 190 E N 1.622 121.987 120.200 0.275 0.000 2.277 190 E HA 0.352 4.695 4.350 -0.011 0.000 0.274 190 E C -0.661 176.105 176.600 0.277 0.000 1.022 190 E CA -0.853 55.722 56.400 0.291 0.000 0.853 190 E CB 1.426 31.310 29.700 0.306 0.000 1.086 190 E HN -0.318 nan 8.360 nan 0.000 0.397 191 K N 1.868 122.451 120.400 0.305 0.000 2.483 191 K HA 0.410 4.724 4.320 -0.011 0.000 0.256 191 K C -1.115 175.530 176.600 0.075 0.000 0.961 191 K CA -0.500 55.907 56.287 0.200 0.000 0.873 191 K CB 1.438 34.062 32.500 0.208 0.000 1.107 191 K HN 0.661 nan 8.250 nan 0.000 0.432 192 A N 4.377 127.165 122.820 -0.055 0.000 2.511 192 A HA 0.295 4.609 4.320 -0.011 0.000 0.242 192 A C -0.248 177.186 177.584 -0.251 0.000 1.069 192 A CA -0.064 51.697 52.037 -0.461 0.000 0.763 192 A CB 0.189 18.904 19.000 -0.474 0.000 1.001 192 A HN 0.678 nan 8.150 nan 0.000 0.498 193 R N 3.418 123.764 120.500 -0.256 0.000 2.983 193 R HA 0.201 4.535 4.340 -0.011 0.000 0.300 193 R C -2.329 173.945 176.300 -0.043 0.000 1.367 193 R CA -1.696 54.381 56.100 -0.038 0.000 1.564 193 R CB 0.659 31.075 30.300 0.193 0.000 1.314 193 R HN 0.574 nan 8.270 nan 0.000 0.622 194 P HA -0.188 nan 4.420 nan 0.000 0.221 194 P C 0.958 178.210 177.300 -0.080 0.000 1.145 194 P CA 1.112 64.168 63.100 -0.073 0.000 0.795 194 P CB 0.367 32.020 31.700 -0.079 0.000 0.775 195 E N -0.154 119.926 120.200 -0.201 0.000 2.338 195 E HA -0.144 4.200 4.350 -0.011 0.000 0.197 195 E C 0.626 176.980 176.600 -0.411 0.000 1.007 195 E CA 0.893 57.078 56.400 -0.359 0.000 0.849 195 E CB -0.866 28.501 29.700 -0.555 0.000 0.774 195 E HN 0.279 nan 8.360 nan 0.000 0.506 196 F N 1.897 121.860 119.950 0.022 0.000 2.684 196 F HA 0.257 4.778 4.527 -0.011 0.000 0.298 196 F C 0.434 176.324 175.800 0.150 0.000 1.120 196 F CA -0.375 57.668 58.000 0.072 0.000 1.332 196 F CB 0.256 39.293 39.000 0.063 0.000 0.986 196 F HN -0.291 nan 8.300 nan 0.000 0.524 197 T N 2.727 117.415 114.554 0.224 0.000 2.940 197 T HA 0.296 4.640 4.350 -0.011 0.000 0.309 197 T C -0.264 174.531 174.700 0.159 0.000 1.056 197 T CA 0.320 62.549 62.100 0.216 0.000 1.137 197 T CB 0.725 69.671 68.868 0.130 0.000 0.976 197 T HN -0.164 nan 8.240 nan 0.000 0.547 198 L N 5.433 126.719 121.223 0.105 0.000 2.401 198 L HA 0.548 4.882 4.340 -0.011 0.000 0.266 198 L C -2.237 174.583 176.870 -0.084 0.000 0.991 198 L CA -2.608 52.223 54.840 -0.016 0.000 0.818 198 L CB 1.966 43.949 42.059 -0.128 0.000 1.321 198 L HN 0.386 nan 8.230 nan 0.000 0.413 199 P HA 0.357 nan 4.420 nan 0.000 0.284 199 P C -1.157 176.007 177.300 -0.226 0.000 1.253 199 P CA -0.337 62.675 63.100 -0.148 0.000 0.800 199 P CB 1.653 33.264 31.700 -0.148 0.000 0.961 200 V N 3.847 123.607 119.914 -0.256 0.000 2.588 200 V HA 0.326 4.440 4.120 -0.011 0.000 0.304 200 V C 0.144 176.010 176.094 -0.380 0.000 1.042 200 V CA -0.615 61.521 62.300 -0.273 0.000 0.877 200 V CB 1.475 33.183 31.823 -0.192 0.000 0.996 200 V HN 0.602 nan 8.190 nan 0.000 0.425 201 H N 3.849 122.762 119.070 -0.262 0.000 2.472 201 H HA 0.622 5.172 4.556 -0.011 0.000 0.338 201 H C -1.293 173.777 175.328 -0.431 0.000 1.133 201 H CA -0.143 55.684 56.048 -0.368 0.000 1.216 201 H CB 1.915 31.238 29.762 -0.731 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.429 120.460 119.950 0.135 0.000 2.603 202 F HA 0.215 4.736 4.527 -0.011 0.000 0.317 202 F C -0.242 175.707 175.800 0.247 0.000 1.066 202 F CA -0.537 57.551 58.000 0.146 0.000 0.941 202 F CB 1.134 40.137 39.000 0.004 0.000 1.291 202 F HN 0.566 nan 8.300 nan 0.000 0.472 203 Y N 0.178 120.787 120.300 0.515 0.000 2.904 203 Y HA -0.009 4.534 4.550 -0.011 0.000 0.466 203 Y C 1.336 177.498 175.900 0.438 0.000 1.202 203 Y CA 0.637 58.956 58.100 0.365 0.000 2.492 203 Y CB -1.906 36.697 38.460 0.239 0.000 1.237 203 Y HN 1.274 nan 8.280 nan 0.000 0.633 204 G N 0.649 109.732 108.800 0.472 0.000 2.593 204 G HA2 0.097 4.051 3.960 -0.011 0.000 0.237 204 G HA3 0.097 4.051 3.960 -0.011 0.000 0.237 204 G C -0.607 174.512 174.900 0.365 0.000 1.312 204 G CA 0.881 46.183 45.100 0.337 0.000 0.896 204 G HN 1.368 nan 8.290 nan 0.000 0.574 205 R N -2.496 118.216 120.500 0.354 0.000 2.734 205 R HA 0.706 5.040 4.340 -0.011 0.000 0.271 205 R C -1.336 175.104 176.300 0.233 0.000 1.021 205 R CA -1.021 55.224 56.100 0.242 0.000 0.893 205 R CB 1.384 31.773 30.300 0.147 0.000 1.244 205 R HN 0.858 nan 8.270 nan 0.000 0.464 206 V N 0.841 120.804 119.914 0.082 0.000 2.427 206 V HA 0.355 4.469 4.120 -0.011 0.000 0.286 206 V C -0.212 175.810 176.094 -0.119 0.000 1.034 206 V CA -0.470 61.801 62.300 -0.048 0.000 0.893 206 V CB 1.309 33.031 31.823 -0.167 0.000 0.982 206 V HN 0.741 nan 8.190 nan 0.000 0.452 207 E N 3.097 123.202 120.200 -0.158 0.000 2.176 207 E HA 0.389 4.733 4.350 -0.011 0.000 0.267 207 E C -1.049 175.414 176.600 -0.229 0.000 0.893 207 E CA -0.698 55.631 56.400 -0.119 0.000 0.761 207 E CB 0.862 30.548 29.700 -0.023 0.000 1.133 207 E HN 0.730 nan 8.360 nan 0.000 0.409 208 H N 2.652 121.737 119.070 0.025 0.000 2.517 208 H HA 0.233 4.782 4.556 -0.011 0.000 0.317 208 H C 0.223 175.560 175.328 0.015 0.000 1.080 208 H CA -0.196 55.862 56.048 0.016 0.000 1.301 208 H CB 1.409 31.176 29.762 0.007 0.000 1.425 208 H HN 0.576 nan 8.280 nan 0.000 0.471 209 T N -1.029 113.590 114.554 0.108 0.000 2.841 209 T HA 0.198 4.541 4.350 -0.011 0.000 0.276 209 T C 1.370 176.106 174.700 0.060 0.000 1.003 209 T CA -0.733 61.407 62.100 0.067 0.000 0.995 209 T CB 0.943 69.834 68.868 0.039 0.000 1.260 209 T HN 0.360 nan 8.240 nan 0.000 0.581 210 S N -0.143 115.582 115.700 0.041 0.000 2.400 210 S HA -0.078 4.386 4.470 -0.011 0.000 0.232 210 S C 1.011 175.630 174.600 0.033 0.000 1.025 210 S CA 1.129 59.349 58.200 0.032 0.000 0.993 210 S CB -0.405 62.810 63.200 0.024 0.000 0.808 210 S HN 0.709 nan 8.310 nan 0.000 0.478 211 Q N 0.370 120.190 119.800 0.034 0.000 2.849 211 Q HA 0.522 4.856 4.340 -0.011 0.000 0.289 211 Q C 0.222 176.244 176.000 0.037 0.000 1.012 211 Q CA 0.245 56.068 55.803 0.032 0.000 0.899 211 Q CB 0.396 29.149 28.738 0.025 0.000 1.235 211 Q HN 0.431 nan 8.270 nan 0.000 0.457 212 G N 0.777 109.609 108.800 0.053 0.000 2.828 212 G HA2 -0.023 3.930 3.960 -0.011 0.000 0.463 212 G HA3 -0.023 3.930 3.960 -0.011 0.000 0.463 212 G C -0.420 174.515 174.900 0.058 0.000 1.394 212 G CA -0.600 44.539 45.100 0.064 0.000 0.862 212 G HN 0.797 nan 8.290 nan 0.000 0.540 213 A N 0.065 122.908 122.820 0.038 0.000 2.351 213 A HA 0.714 5.028 4.320 -0.011 0.000 0.257 213 A C 0.507 178.054 177.584 -0.062 0.000 1.087 213 A CA 0.391 52.380 52.037 -0.079 0.000 0.798 213 A CB 0.628 19.544 19.000 -0.140 0.000 1.033 213 A HN 0.773 nan 8.150 nan 0.000 0.488 214 K N 0.506 120.856 120.400 -0.083 0.000 2.427 214 K HA 0.212 4.526 4.320 -0.011 0.000 0.252 214 K C -1.870 174.768 176.600 0.063 0.000 0.931 214 K CA -0.349 55.934 56.287 -0.006 0.000 0.793 214 K CB 2.204 34.700 32.500 -0.005 0.000 1.211 214 K HN 0.733 nan 8.250 nan 0.000 0.426 215 W N 5.265 126.488 121.300 -0.128 0.000 2.308 215 W HA 0.356 5.009 4.660 -0.011 0.000 0.311 215 W C -0.689 175.774 176.519 -0.093 0.000 1.088 215 W CA -0.796 56.480 57.345 -0.115 0.000 1.309 215 W CB 0.186 29.566 29.460 -0.133 0.000 1.229 215 W HN 0.312 nan 8.180 nan 0.000 0.427 216 V N 2.710 122.675 119.914 0.085 0.000 3.126 216 V HA 0.617 4.730 4.120 -0.011 0.000 0.314 216 V C -0.192 175.881 176.094 -0.034 0.000 1.138 216 V CA -0.964 61.313 62.300 -0.038 0.000 1.034 216 V CB 1.974 33.804 31.823 0.011 0.000 1.075 216 V HN 0.460 nan 8.190 nan 0.000 0.442 217 D N 0.159 120.541 120.400 -0.031 0.000 2.772 217 D HA -0.137 4.496 4.640 -0.011 0.000 0.233 217 D C 0.531 176.840 176.300 0.015 0.000 1.143 217 D CA 1.526 55.531 54.000 0.008 0.000 0.700 217 D CB -1.679 39.147 40.800 0.044 0.000 1.076 217 D HN 1.305 nan 8.370 nan 0.000 0.430 218 T N -2.669 111.848 114.554 -0.061 0.000 2.882 218 T HA 0.461 4.805 4.350 -0.011 0.000 0.287 218 T C 0.488 175.246 174.700 0.096 0.000 1.014 218 T CA -0.753 61.325 62.100 -0.038 0.000 1.049 218 T CB 1.841 70.531 68.868 -0.297 0.000 1.001 218 T HN 0.044 nan 8.240 nan 0.000 0.525 219 Q N 0.757 120.685 119.800 0.213 0.000 2.243 219 Q HA 0.539 4.873 4.340 -0.011 0.000 0.252 219 Q C -0.868 175.261 176.000 0.214 0.000 0.909 219 Q CA -0.824 55.132 55.803 0.254 0.000 0.922 219 Q CB 1.711 30.681 28.738 0.387 0.000 1.215 219 Q HN 0.502 nan 8.270 nan 0.000 0.427 220 V N 3.224 123.222 119.914 0.140 0.000 2.435 220 V HA 0.395 4.508 4.120 -0.011 0.000 0.290 220 V C -0.259 175.902 176.094 0.112 0.000 1.030 220 V CA -0.634 61.660 62.300 -0.010 0.000 0.881 220 V CB 1.699 33.455 31.823 -0.112 0.000 0.983 220 V HN 0.492 nan 8.190 nan 0.000 0.445 221 V N 5.890 125.880 119.914 0.128 0.000 2.604 221 V HA 0.493 4.606 4.120 -0.011 0.000 0.305 221 V C -0.150 176.025 176.094 0.136 0.000 1.043 221 V CA -0.675 61.717 62.300 0.153 0.000 0.888 221 V CB 1.976 33.965 31.823 0.277 0.000 0.995 221 V HN 0.632 nan 8.190 nan 0.000 0.429 222 L N 3.427 124.724 121.223 0.123 0.000 2.350 222 L HA 0.727 5.061 4.340 -0.011 0.000 0.275 222 L C 0.437 177.476 176.870 0.283 0.000 1.099 222 L CA -0.347 54.573 54.840 0.133 0.000 0.808 222 L CB 1.349 43.466 42.059 0.096 0.000 1.149 222 L HN 0.761 nan 8.230 nan 0.000 0.442 223 A N 5.157 128.092 122.820 0.192 0.000 2.267 223 A HA 0.563 4.877 4.320 -0.011 0.000 0.315 223 A C -0.461 177.378 177.584 0.425 0.000 1.297 223 A CA -0.467 51.713 52.037 0.239 0.000 0.865 223 A CB 0.853 19.549 19.000 -0.506 0.000 1.165 223 A HN 0.786 nan 8.150 nan 0.000 0.513 224 M N 5.934 125.844 119.600 0.517 0.000 2.129 224 M HA 0.451 4.925 4.480 -0.011 0.000 0.348 224 M C -2.605 173.960 176.300 0.441 0.000 1.116 224 M CA -2.138 53.412 55.300 0.416 0.000 1.022 224 M CB 1.910 34.675 32.600 0.275 0.000 1.599 224 M HN 0.331 nan 8.290 nan 0.000 0.449 225 P HA 0.255 nan 4.420 nan 0.000 0.284 225 P C -1.937 175.296 177.300 -0.113 0.000 1.253 225 P CA 0.007 63.028 63.100 -0.132 0.000 0.800 225 P CB 0.483 31.921 31.700 -0.437 0.000 0.961 226 Y N 0.631 120.873 120.300 -0.097 0.000 2.341 226 Y HA 0.349 4.892 4.550 -0.011 0.000 0.338 226 Y C 0.265 176.143 175.900 -0.036 0.000 0.965 226 Y CA -0.277 57.816 58.100 -0.011 0.000 1.108 226 Y CB 1.311 39.797 38.460 0.043 0.000 1.180 226 Y HN 0.221 nan 8.280 nan 0.000 0.458 227 D N 1.846 122.345 120.400 0.165 0.000 2.193 227 D HA 0.402 5.035 4.640 -0.011 0.000 0.244 227 D C -0.647 175.867 176.300 0.356 0.000 1.064 227 D CA -0.253 53.876 54.000 0.215 0.000 0.845 227 D CB 1.744 42.683 40.800 0.232 0.000 1.148 227 D HN 0.380 nan 8.370 nan 0.000 0.464 228 T N 3.277 117.948 114.554 0.196 0.000 2.824 228 T HA 0.472 4.816 4.350 -0.011 0.000 0.282 228 T C -2.519 172.025 174.700 -0.260 0.000 0.993 228 T CA -1.489 60.630 62.100 0.031 0.000 0.967 228 T CB 2.009 70.888 68.868 0.019 0.000 0.960 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 P HA 0.308 nan 4.420 nan 0.000 0.275 229 P C -1.000 175.975 177.300 -0.542 0.000 1.227 229 P CA -0.392 62.045 63.100 -1.104 0.000 0.781 229 P CB 0.798 31.639 31.700 -1.433 0.000 0.906 230 V N 5.128 124.784 119.914 -0.430 0.000 2.305 230 V HA 0.266 4.379 4.120 -0.011 0.000 0.275 230 V C -2.093 173.869 176.094 -0.220 0.000 1.020 230 V CA -1.915 60.224 62.300 -0.268 0.000 0.811 230 V CB 1.315 33.026 31.823 -0.186 0.000 1.031 230 V HN 0.540 nan 8.190 nan 0.000 0.439 231 P HA 0.290 nan 4.420 nan 0.000 0.280 231 P C 0.347 177.596 177.300 -0.086 0.000 1.244 231 P CA 0.276 63.287 63.100 -0.149 0.000 0.784 231 P CB 1.600 33.209 31.700 -0.151 0.000 0.913 232 G N 2.024 110.791 108.800 -0.054 0.000 2.562 232 G HA2 0.155 4.109 3.960 -0.011 0.000 0.275 232 G HA3 0.155 4.109 3.960 -0.011 0.000 0.275 232 G C -1.185 173.728 174.900 0.020 0.000 1.196 232 G CA -0.602 44.495 45.100 -0.004 0.000 0.908 232 G HN 0.511 nan 8.290 nan 0.000 0.524 233 Y N 0.899 121.161 120.300 -0.063 0.000 2.624 233 Y HA 0.242 4.786 4.550 -0.011 0.000 0.354 233 Y C 1.333 177.196 175.900 -0.061 0.000 1.051 233 Y CA -0.113 57.946 58.100 -0.069 0.000 1.377 233 Y CB -0.142 38.276 38.460 -0.070 0.000 1.168 233 Y HN 0.742 nan 8.280 nan 0.000 0.525 234 R N 2.915 123.148 120.500 -0.444 0.000 3.627 234 R HA -0.321 4.013 4.340 -0.011 0.000 0.281 234 R C 0.155 176.322 176.300 -0.222 0.000 1.140 234 R CA 1.358 57.202 56.100 -0.426 0.000 0.761 234 R CB -2.056 27.817 30.300 -0.712 0.000 1.181 234 R HN 0.946 nan 8.270 nan 0.000 0.472 235 N N -0.700 117.920 118.700 -0.133 0.000 2.177 235 N HA 0.041 4.774 4.740 -0.011 0.000 0.218 235 N C -0.093 175.374 175.510 -0.073 0.000 1.182 235 N CA -0.432 52.571 53.050 -0.079 0.000 0.882 235 N CB 0.461 38.927 38.487 -0.034 0.000 1.052 235 N HN 0.096 nan 8.380 nan 0.000 0.519 236 N N -0.127 118.524 118.700 -0.080 0.000 2.753 236 N HA -0.136 4.597 4.740 -0.011 0.000 0.251 236 N C -0.883 174.590 175.510 -0.062 0.000 1.097 236 N CA 0.610 53.620 53.050 -0.067 0.000 0.786 236 N CB -1.346 37.102 38.487 -0.065 0.000 1.137 236 N HN 0.186 nan 8.380 nan 0.000 0.566 237 V N 1.178 121.060 119.914 -0.054 0.000 2.498 237 V HA 0.392 4.505 4.120 -0.011 0.000 0.279 237 V C 0.672 176.741 176.094 -0.041 0.000 1.048 237 V CA -0.413 61.864 62.300 -0.038 0.000 0.967 237 V CB 2.059 33.883 31.823 0.003 0.000 0.988 237 V HN -0.021 nan 8.190 nan 0.000 0.473 238 V N 5.299 125.196 119.914 -0.028 0.000 2.419 238 V HA 0.430 4.544 4.120 -0.011 0.000 0.287 238 V C -0.120 175.979 176.094 0.008 0.000 1.017 238 V CA -0.859 61.396 62.300 -0.074 0.000 0.844 238 V CB 1.457 33.206 31.823 -0.122 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.941 120.613 118.700 -0.046 0.000 2.448 239 N HA 0.575 5.308 4.740 -0.011 0.000 0.274 239 N C -0.051 175.451 175.510 -0.013 0.000 1.239 239 N CA -0.295 52.748 53.050 -0.011 0.000 0.982 239 N CB 1.195 39.628 38.487 -0.091 0.000 1.199 239 N HN 0.586 nan 8.380 nan 0.000 0.576 240 T N 0.734 115.288 114.554 -0.001 0.000 2.841 240 T HA 0.394 4.738 4.350 -0.011 0.000 0.283 240 T C -0.255 174.405 174.700 -0.067 0.000 1.000 240 T CA -0.513 61.650 62.100 0.104 0.000 0.977 240 T CB 1.085 70.127 68.868 0.291 0.000 0.979 240 T HN 0.299 nan 8.240 nan 0.000 0.446 241 M N 3.793 123.318 119.600 -0.125 0.000 2.101 241 M HA 0.500 4.973 4.480 -0.011 0.000 0.340 241 M C -0.457 175.683 176.300 -0.265 0.000 1.057 241 M CA -0.737 54.398 55.300 -0.274 0.000 0.984 241 M CB 0.701 33.082 32.600 -0.365 0.000 1.560 241 M HN 0.489 nan 8.290 nan 0.000 0.435 242 R N 5.991 126.220 120.500 -0.453 0.000 2.265 242 R HA 0.617 4.950 4.340 -0.011 0.000 0.328 242 R C -1.957 174.040 176.300 -0.504 0.000 0.969 242 R CA -0.428 55.356 56.100 -0.525 0.000 0.832 242 R CB 0.851 30.660 30.300 -0.818 0.000 1.139 242 R HN 0.816 nan 8.270 nan 0.000 0.457 243 L N 5.099 126.135 121.223 -0.311 0.000 2.341 243 L HA 0.501 4.835 4.340 -0.011 0.000 0.278 243 L C -0.824 176.000 176.870 -0.077 0.000 1.005 243 L CA -0.910 53.846 54.840 -0.140 0.000 0.818 243 L CB 1.495 43.560 42.059 0.011 0.000 1.259 243 L HN 0.585 nan 8.230 nan 0.000 0.418 244 W N 1.881 123.298 121.300 0.196 0.000 2.315 244 W HA 0.485 5.138 4.660 -0.010 0.000 0.316 244 W C 0.559 177.305 176.519 0.378 0.000 1.211 244 W CA -0.201 57.281 57.345 0.228 0.000 1.201 244 W CB 1.485 30.933 29.460 -0.020 0.000 1.184 244 W HN 0.346 nan 8.180 nan 0.000 0.544 245 S N 1.849 117.961 115.700 0.686 0.000 2.482 245 S HA 0.774 5.237 4.470 -0.011 0.000 0.303 245 S C -0.459 174.478 174.600 0.561 0.000 1.091 245 S CA -0.722 57.788 58.200 0.518 0.000 1.057 245 S CB 0.667 64.120 63.200 0.421 0.000 1.031 245 S HN 0.530 nan 8.310 nan 0.000 0.485 246 A N 4.753 127.737 122.820 0.274 0.000 2.366 246 A HA 0.651 4.964 4.320 -0.011 0.000 0.272 246 A C -0.136 177.500 177.584 0.087 0.000 1.135 246 A CA -0.267 51.815 52.037 0.073 0.000 0.804 246 A CB 0.348 19.124 19.000 -0.374 0.000 1.064 246 A HN 0.675 nan 8.150 nan 0.000 0.499 247 K N 1.102 121.562 120.400 0.101 0.000 2.468 247 K HA 0.590 4.903 4.320 -0.011 0.000 0.252 247 K C -0.548 176.029 176.600 -0.039 0.000 0.932 247 K CA -0.438 55.875 56.287 0.042 0.000 0.794 247 K CB 2.292 34.851 32.500 0.098 0.000 1.241 247 K HN 0.840 nan 8.250 nan 0.000 0.428 248 A N 4.216 126.954 122.820 -0.136 0.000 2.388 248 A HA 0.453 4.766 4.320 -0.011 0.000 0.257 248 A C -2.111 175.432 177.584 -0.069 0.000 1.095 248 A CA -1.030 50.849 52.037 -0.263 0.000 0.791 248 A CB -0.281 18.408 19.000 -0.518 0.000 1.029 248 A HN 0.339 nan 8.150 nan 0.000 0.489 249 P HA 0.104 nan 4.420 nan 0.000 0.272 249 P C 0.042 177.417 177.300 0.124 0.000 1.230 249 P CA -0.377 62.773 63.100 0.083 0.000 0.788 249 P CB 0.576 32.346 31.700 0.116 0.000 0.949 250 N N 0.933 119.692 118.700 0.098 0.000 2.396 250 N HA -0.113 4.620 4.740 -0.011 0.000 0.180 250 N C 0.745 176.327 175.510 0.120 0.000 1.028 250 N CA 1.054 54.164 53.050 0.100 0.000 0.893 250 N CB -0.459 38.072 38.487 0.073 0.000 0.967 250 N HN 0.552 nan 8.380 nan 0.000 0.440 251 D N -0.827 119.646 120.400 0.122 0.000 2.325 251 D HA -0.063 4.570 4.640 -0.011 0.000 0.225 251 D C 0.102 176.473 176.300 0.119 0.000 1.096 251 D CA -0.567 53.495 54.000 0.104 0.000 0.844 251 D CB -0.988 39.855 40.800 0.072 0.000 0.925 251 D HN 0.054 nan 8.370 nan 0.000 0.513 252 F N 2.059 122.021 119.950 0.020 0.000 2.602 252 F HA 0.080 4.601 4.527 -0.011 0.000 0.385 252 F C 0.698 176.501 175.800 0.004 0.000 1.063 252 F CA 0.187 58.195 58.000 0.014 0.000 1.233 252 F CB 0.099 39.107 39.000 0.014 0.000 1.067 252 F HN -0.155 nan 8.300 nan 0.000 0.564 253 N N 2.537 120.841 118.700 -0.660 0.000 2.815 253 N HA -0.276 4.457 4.740 -0.011 0.000 0.247 253 N C -0.799 174.606 175.510 -0.175 0.000 1.030 253 N CA 1.524 54.296 53.050 -0.463 0.000 0.881 253 N CB -1.293 36.914 38.487 -0.467 0.000 1.134 253 N HN 0.557 nan 8.380 nan 0.000 0.582 262 Y N 1.432 121.732 120.300 0.001 0.000 2.097 262 Y HA -0.105 4.439 4.550 -0.011 0.000 0.282 262 Y C 2.736 178.645 175.900 0.015 0.000 1.152 262 Y CA 2.457 60.561 58.100 0.007 0.000 1.136 262 Y CB -0.117 38.348 38.460 0.008 0.000 0.975 262 Y HN 0.207 nan 8.280 nan 0.000 0.498 263 I N 0.401 120.925 120.570 -0.077 0.000 2.127 263 I HA -0.300 3.864 4.170 -0.011 0.000 0.241 263 I C 2.396 178.420 176.117 -0.155 0.000 1.075 263 I CA 1.789 62.992 61.300 -0.162 0.000 1.334 263 I CB -1.516 36.489 38.000 0.008 0.000 1.040 263 I HN 0.330 nan 8.210 nan 0.000 0.405 264 Q N 1.080 120.834 119.800 -0.076 0.000 2.124 264 Q HA -0.111 4.222 4.340 -0.011 0.000 0.202 264 Q C 2.240 178.202 176.000 -0.063 0.000 0.977 264 Q CA 2.179 57.952 55.803 -0.051 0.000 0.850 264 Q CB -0.377 28.347 28.738 -0.024 0.000 0.901 264 Q HN 0.479 nan 8.270 nan 0.000 0.429 265 A N -0.780 121.983 122.820 -0.096 0.000 1.908 265 A HA -0.156 4.157 4.320 -0.011 0.000 0.218 265 A C 2.254 179.805 177.584 -0.055 0.000 1.181 265 A CA 1.776 53.761 52.037 -0.087 0.000 0.627 265 A CB -0.834 18.108 19.000 -0.097 0.000 0.818 265 A HN 0.268 nan 8.150 nan 0.000 0.445 266 V N 0.091 119.899 119.914 -0.178 0.000 2.358 266 V HA -0.220 3.893 4.120 -0.011 0.000 0.246 266 V C 2.516 178.585 176.094 -0.041 0.000 1.047 266 V CA 1.791 64.009 62.300 -0.137 0.000 1.035 266 V CB -0.740 30.902 31.823 -0.301 0.000 0.658 266 V HN 0.564 nan 8.190 nan 0.000 0.452 267 L N -0.191 121.002 121.223 -0.050 0.000 2.131 267 L HA -0.152 4.181 4.340 -0.011 0.000 0.210 267 L C 1.991 178.882 176.870 0.035 0.000 1.092 267 L CA 1.250 56.084 54.840 -0.010 0.000 0.759 267 L CB -0.638 41.411 42.059 -0.016 0.000 0.903 267 L HN 0.330 nan 8.230 nan 0.000 0.435 268 D N -0.097 120.347 120.400 0.074 0.000 2.363 268 D HA -0.065 4.569 4.640 -0.011 0.000 0.226 268 D C 2.110 178.582 176.300 0.288 0.000 1.020 268 D CA 0.408 54.501 54.000 0.155 0.000 0.892 268 D CB 0.015 40.898 40.800 0.139 0.000 0.900 268 D HN 0.222 nan 8.370 nan 0.000 0.531 269 R N 0.290 120.908 120.500 0.198 0.000 2.159 269 R HA -0.069 4.265 4.340 -0.011 0.000 0.237 269 R C 1.669 177.894 176.300 -0.125 0.000 1.131 269 R CA 0.893 56.975 56.100 -0.030 0.000 0.982 269 R CB -0.271 30.011 30.300 -0.029 0.000 0.868 269 R HN 0.341 nan 8.270 nan 0.000 0.453 270 N N 0.271 118.958 118.700 -0.021 0.000 2.192 270 N HA -0.187 4.547 4.740 -0.011 0.000 0.188 270 N C 1.183 176.676 175.510 -0.029 0.000 1.013 270 N CA 0.703 53.742 53.050 -0.020 0.000 0.863 270 N CB -0.079 38.415 38.487 0.012 0.000 0.990 270 N HN 0.023 nan 8.380 nan 0.000 0.430 271 L N 0.988 122.212 121.223 0.001 0.000 2.046 271 L HA -0.111 4.223 4.340 -0.011 0.000 0.208 271 L C 2.441 179.279 176.870 -0.054 0.000 1.077 271 L CA 1.406 56.257 54.840 0.019 0.000 0.747 271 L CB -1.080 41.051 42.059 0.120 0.000 0.896 271 L HN 0.159 nan 8.230 nan 0.000 0.432 272 A N -0.909 121.800 122.820 -0.185 0.000 1.929 272 A HA -0.154 4.159 4.320 -0.011 0.000 0.216 272 A C 2.149 179.610 177.584 -0.204 0.000 1.176 272 A CA 1.298 53.184 52.037 -0.251 0.000 0.628 272 A CB -0.407 18.276 19.000 -0.529 0.000 0.816 272 A HN 0.512 nan 8.150 nan 0.000 0.444 273 E N 0.056 120.151 120.200 -0.175 0.000 2.427 273 E HA -0.076 4.268 4.350 -0.011 0.000 0.196 273 E C 1.027 177.586 176.600 -0.069 0.000 1.028 273 E CA 0.247 56.579 56.400 -0.114 0.000 0.864 273 E CB -0.142 29.512 29.700 -0.076 0.000 0.813 273 E HN 0.458 nan 8.360 nan 0.000 0.514 274 N N 1.124 119.792 118.700 -0.054 0.000 2.443 274 N HA -0.104 4.629 4.740 -0.011 0.000 0.184 274 N C 1.641 177.145 175.510 -0.009 0.000 1.037 274 N CA 0.632 53.678 53.050 -0.006 0.000 0.896 274 N CB -0.076 38.413 38.487 0.004 0.000 0.959 274 N HN 0.258 nan 8.380 nan 0.000 0.442 275 I N 0.472 120.980 120.570 -0.103 0.000 2.194 275 I HA -0.275 3.889 4.170 -0.011 0.000 0.246 275 I C 1.506 177.597 176.117 -0.043 0.000 1.093 275 I CA 1.383 62.595 61.300 -0.146 0.000 1.355 275 I CB -0.242 37.505 38.000 -0.422 0.000 1.046 275 I HN 0.141 nan 8.210 nan 0.000 0.413 276 S N -0.481 115.187 115.700 -0.055 0.000 2.583 276 S HA 0.182 4.645 4.470 -0.011 0.000 0.239 276 S C 1.479 176.212 174.600 0.222 0.000 0.966 276 S CA -0.509 57.746 58.200 0.092 0.000 0.973 276 S CB 0.234 63.475 63.200 0.068 0.000 0.794 276 S HN 0.216 nan 8.310 nan 0.000 0.463 277 R N 1.211 121.843 120.500 0.219 0.000 2.073 277 R HA 0.290 4.624 4.340 -0.011 0.000 0.229 277 R C 0.336 176.878 176.300 0.405 0.000 1.120 277 R CA 1.043 57.310 56.100 0.278 0.000 0.967 277 R CB -0.212 30.217 30.300 0.214 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.395 120.507 119.914 0.330 0.000 2.851 278 V HA 0.343 4.457 4.120 -0.011 0.000 0.307 278 V C -1.583 174.458 176.094 -0.090 0.000 1.129 278 V CA -1.372 61.038 62.300 0.183 0.000 0.932 278 V CB 1.790 33.650 31.823 0.061 0.000 1.024 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 6.884 127.826 121.223 -0.470 0.000 2.410 279 L HA 0.443 4.777 4.340 -0.011 0.000 0.273 279 L C -0.784 175.921 176.870 -0.276 0.000 1.144 279 L CA 0.485 54.856 54.840 -0.782 0.000 0.863 279 L CB 0.382 41.941 42.059 -0.833 0.000 1.140 279 L HN 0.672 nan 8.230 nan 0.000 0.463 280 Y N 7.056 127.269 120.300 -0.145 0.000 2.569 280 Y HA 0.166 4.710 4.550 -0.011 0.000 0.332 280 Y C -1.332 174.570 175.900 0.004 0.000 1.120 280 Y CA -1.089 57.002 58.100 -0.015 0.000 1.416 280 Y CB 0.291 38.770 38.460 0.031 0.000 1.210 280 Y HN 0.575 nan 8.280 nan 0.000 0.528 281 P HA 0.030 nan 4.420 nan 0.000 0.249 281 P C -0.903 176.544 177.300 0.245 0.000 1.544 281 P CA 0.082 63.305 63.100 0.205 0.000 0.932 281 P CB 0.124 32.037 31.700 0.353 0.000 1.524 282 N N 1.360 120.209 118.700 0.248 0.000 2.419 282 N HA 0.143 4.877 4.740 -0.011 0.000 0.264 282 N C -0.595 175.067 175.510 0.254 0.000 1.031 282 N CA 0.110 53.324 53.050 0.274 0.000 0.951 282 N CB 0.862 39.548 38.487 0.332 0.000 1.101 282 N HN 0.039 nan 8.380 nan 0.000 0.488 283 D N 1.322 121.891 120.400 0.283 0.000 2.329 283 D HA 0.195 4.828 4.640 -0.011 0.000 0.232 283 D C -0.330 176.175 176.300 0.342 0.000 1.088 283 D CA -0.252 53.912 54.000 0.272 0.000 0.835 283 D CB 0.179 41.132 40.800 0.256 0.000 1.078 283 D HN 0.299 nan 8.370 nan 0.000 0.495 284 N N 3.219 122.089 118.700 0.282 0.000 2.708 284 N HA -0.253 4.480 4.740 -0.011 0.000 0.255 284 N C -1.363 174.384 175.510 0.395 0.000 1.046 284 N CA 0.689 53.899 53.050 0.266 0.000 0.715 284 N CB -0.872 37.722 38.487 0.177 0.000 0.895 284 N HN 0.375 nan 8.380 nan 0.000 0.545 285 F N 0.665 120.717 119.950 0.170 0.000 2.639 285 F HA 0.408 4.928 4.527 -0.011 0.000 0.320 285 F C -1.487 174.395 175.800 0.137 0.000 1.128 285 F CA -1.069 57.013 58.000 0.137 0.000 1.037 285 F CB 0.931 39.984 39.000 0.088 0.000 1.288 285 F HN -0.003 nan 8.300 nan 0.000 0.463 286 F N 5.976 125.487 119.950 -0.732 0.000 2.404 286 F HA 0.487 5.008 4.527 -0.011 0.000 0.354 286 F C -0.499 174.901 175.800 -0.666 0.000 1.122 286 F CA -0.159 57.496 58.000 -0.574 0.000 1.080 286 F CB 0.771 39.476 39.000 -0.491 0.000 1.131 286 F HN 0.566 nan 8.300 nan 0.000 0.471 287 E N 4.240 123.837 120.200 -1.005 0.000 2.145 287 E HA 0.294 4.637 4.350 -0.011 0.000 0.262 287 E C 0.021 175.907 176.600 -1.191 0.000 0.883 287 E CA -0.710 55.193 56.400 -0.829 0.000 0.748 287 E CB 1.312 30.873 29.700 -0.231 0.000 1.140 287 E HN 0.930 nan 8.360 nan 0.000 0.417 288 G N 5.265 113.303 108.800 -1.270 0.000 3.284 288 G HA2 0.005 3.959 3.960 -0.011 0.000 0.251 288 G HA3 0.005 3.959 3.960 -0.011 0.000 0.251 288 G C 0.054 174.896 174.900 -0.097 0.000 0.913 288 G CA -0.180 44.372 45.100 -0.913 0.000 1.947 288 G HN 0.212 nan 8.290 nan 0.000 0.635 289 K N 0.382 120.770 120.400 -0.019 0.000 2.118 289 K HA 0.170 4.484 4.320 -0.011 0.000 0.267 289 K C 0.976 177.718 176.600 0.237 0.000 0.991 289 K CA -0.598 55.766 56.287 0.127 0.000 0.916 289 K CB 2.094 34.661 32.500 0.112 0.000 1.041 289 K HN 0.385 nan 8.250 nan 0.000 0.455 290 E N 1.576 121.878 120.200 0.170 0.000 2.085 290 E HA -0.209 4.135 4.350 -0.011 0.000 0.194 290 E C 1.547 178.178 176.600 0.052 0.000 0.994 290 E CA 0.988 57.439 56.400 0.085 0.000 0.801 290 E CB 0.159 29.909 29.700 0.084 0.000 0.743 290 E HN 0.395 nan 8.360 nan 0.000 0.453 291 L N 1.355 122.654 121.223 0.127 0.000 2.079 291 L HA -0.180 4.154 4.340 -0.011 0.000 0.210 291 L C 2.457 179.441 176.870 0.190 0.000 1.081 291 L CA 1.789 56.725 54.840 0.160 0.000 0.752 291 L CB -0.519 41.697 42.059 0.261 0.000 0.896 291 L HN 0.009 nan 8.230 nan 0.000 0.433 292 R N -0.650 119.926 120.500 0.127 0.000 2.096 292 R HA -0.159 4.175 4.340 -0.011 0.000 0.235 292 R C 2.102 178.468 176.300 0.111 0.000 1.127 292 R CA 1.811 57.924 56.100 0.022 0.000 0.968 292 R CB -0.989 29.121 30.300 -0.317 0.000 0.861 292 R HN 0.409 nan 8.270 nan 0.000 0.440 293 L N 0.873 122.064 121.223 -0.053 0.000 2.046 293 L HA -0.070 4.263 4.340 -0.011 0.000 0.208 293 L C 1.692 178.514 176.870 -0.080 0.000 1.077 293 L CA 1.902 56.508 54.840 -0.389 0.000 0.747 293 L CB -0.423 41.101 42.059 -0.891 0.000 0.896 293 L HN 0.154 nan 8.230 nan 0.000 0.432 294 K N -0.984 119.411 120.400 -0.008 0.000 2.057 294 K HA -0.197 4.116 4.320 -0.011 0.000 0.207 294 K C 2.083 178.854 176.600 0.285 0.000 1.049 294 K CA 1.775 58.122 56.287 0.100 0.000 0.931 294 K CB -0.191 32.186 32.500 -0.204 0.000 0.714 294 K HN 0.508 nan 8.250 nan 0.000 0.440 295 Q N 0.655 120.592 119.800 0.230 0.000 2.061 295 Q HA -0.204 4.130 4.340 -0.011 0.000 0.204 295 Q C 1.977 178.188 176.000 0.351 0.000 0.984 295 Q CA 1.537 57.533 55.803 0.322 0.000 0.846 295 Q CB -0.054 28.895 28.738 0.352 0.000 0.902 295 Q HN 0.395 nan 8.270 nan 0.000 0.421 296 E N -0.235 120.126 120.200 0.270 0.000 2.077 296 E HA -0.207 4.137 4.350 -0.011 0.000 0.193 296 E C 1.745 178.468 176.600 0.205 0.000 0.989 296 E CA 1.003 57.543 56.400 0.234 0.000 0.800 296 E CB -0.136 29.684 29.700 0.200 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.389 120.743 120.300 0.091 0.000 2.263 297 Y HA -0.207 4.337 4.550 -0.011 0.000 0.292 297 Y C 1.968 177.906 175.900 0.063 0.000 1.130 297 Y CA 1.011 59.120 58.100 0.014 0.000 1.179 297 Y CB -0.343 38.091 38.460 -0.044 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.274 119.684 119.950 0.013 0.000 2.065 298 F HA -0.266 4.255 4.527 -0.011 0.000 0.298 298 F C 2.512 178.174 175.800 -0.229 0.000 1.112 298 F CA 2.027 59.981 58.000 -0.075 0.000 1.212 298 F CB -1.106 37.995 39.000 0.169 0.000 0.975 298 F HN -0.043 nan 8.300 nan 0.000 0.476 299 V N -0.509 119.369 119.914 -0.060 0.000 2.343 299 V HA -0.211 3.903 4.120 -0.011 0.000 0.247 299 V C 2.203 178.157 176.094 -0.233 0.000 1.051 299 V CA 2.001 64.242 62.300 -0.099 0.000 1.036 299 V CB -0.413 31.542 31.823 0.221 0.000 0.654 299 V HN 0.252 nan 8.190 nan 0.000 0.451 300 V N 0.416 120.196 119.914 -0.223 0.000 2.307 300 V HA -0.167 3.947 4.120 -0.011 0.000 0.245 300 V C 2.807 178.647 176.094 -0.423 0.000 1.045 300 V CA 2.119 64.272 62.300 -0.245 0.000 1.024 300 V CB -1.069 30.672 31.823 -0.137 0.000 0.651 300 V HN 0.647 nan 8.190 nan 0.000 0.449 301 A N -0.157 122.236 122.820 -0.712 0.000 1.873 301 A HA -0.084 4.230 4.320 -0.011 0.000 0.215 301 A C 2.407 179.622 177.584 -0.615 0.000 1.186 301 A CA 2.049 53.656 52.037 -0.716 0.000 0.616 301 A CB -0.808 17.536 19.000 -1.093 0.000 0.823 301 A HN 0.554 nan 8.150 nan 0.000 0.442 302 A N -0.972 121.324 122.820 -0.873 0.000 1.877 302 A HA -0.074 4.240 4.320 -0.011 0.000 0.216 302 A C 2.319 179.427 177.584 -0.792 0.000 1.186 302 A CA 2.310 53.643 52.037 -1.173 0.000 0.620 302 A CB -1.329 16.284 19.000 -2.312 0.000 0.822 302 A HN 0.427 nan 8.150 nan 0.000 0.443 303 T N 0.487 114.717 114.554 -0.540 0.000 2.684 303 T HA -0.116 4.228 4.350 -0.011 0.000 0.267 303 T C 1.827 176.272 174.700 -0.424 0.000 1.036 303 T CA 1.502 63.391 62.100 -0.351 0.000 1.148 303 T CB -0.406 68.248 68.868 -0.357 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.436 304 L N 0.674 121.690 121.223 -0.345 0.000 2.083 304 L HA -0.163 4.171 4.340 -0.011 0.000 0.209 304 L C 2.915 179.674 176.870 -0.185 0.000 1.083 304 L CA 1.365 56.051 54.840 -0.257 0.000 0.752 304 L CB -0.489 41.458 42.059 -0.187 0.000 0.899 304 L HN 0.367 nan 8.230 nan 0.000 0.433 305 Q N -0.620 119.070 119.800 -0.183 0.000 2.124 305 Q HA -0.242 4.092 4.340 -0.011 0.000 0.202 305 Q C 1.756 177.730 176.000 -0.043 0.000 0.977 305 Q CA 1.656 57.402 55.803 -0.096 0.000 0.850 305 Q CB -0.085 28.585 28.738 -0.114 0.000 0.901 305 Q HN 0.406 nan 8.270 nan 0.000 0.429 306 D N 0.580 120.946 120.400 -0.058 0.000 2.097 306 D HA -0.109 4.524 4.640 -0.011 0.000 0.195 306 D C 1.706 177.953 176.300 -0.089 0.000 0.989 306 D CA 0.896 54.904 54.000 0.014 0.000 0.827 306 D CB -0.065 40.834 40.800 0.166 0.000 0.966 306 D HN 0.153 nan 8.370 nan 0.000 0.456 307 I N 0.194 120.593 120.570 -0.286 0.000 2.163 307 I HA -0.271 3.893 4.170 -0.011 0.000 0.243 307 I C 2.302 178.423 176.117 0.007 0.000 1.085 307 I CA 0.847 61.919 61.300 -0.380 0.000 1.347 307 I CB -0.184 37.437 38.000 -0.631 0.000 1.044 307 I HN 0.048 nan 8.210 nan 0.000 0.408 308 I N 0.123 120.754 120.570 0.101 0.000 2.252 308 I HA -0.275 3.889 4.170 -0.011 0.000 0.245 308 I C 2.787 179.064 176.117 0.268 0.000 1.102 308 I CA 1.116 62.591 61.300 0.291 0.000 1.385 308 I CB -0.410 37.717 38.000 0.211 0.000 1.064 308 I HN 0.176 nan 8.210 nan 0.000 0.414 309 R N 1.190 121.780 120.500 0.150 0.000 2.080 309 R HA -0.225 4.109 4.340 -0.011 0.000 0.236 309 R C 2.496 178.872 176.300 0.126 0.000 1.137 309 R CA 1.795 57.971 56.100 0.127 0.000 0.943 309 R CB -0.279 30.080 30.300 0.099 0.000 0.846 309 R HN 0.207 nan 8.270 nan 0.000 0.431 310 R N -0.646 119.925 120.500 0.118 0.000 2.120 310 R HA -0.163 4.171 4.340 -0.011 0.000 0.234 310 R C 2.166 178.557 176.300 0.153 0.000 1.123 310 R CA 1.645 57.818 56.100 0.120 0.000 0.975 310 R CB -0.331 30.026 30.300 0.095 0.000 0.866 310 R HN 0.289 nan 8.270 nan 0.000 0.446 311 F N 1.328 121.308 119.950 0.051 0.000 2.146 311 F HA -0.089 4.431 4.527 -0.011 0.000 0.298 311 F C 1.666 177.470 175.800 0.006 0.000 1.096 311 F CA 1.464 59.483 58.000 0.032 0.000 1.275 311 F CB 0.069 39.130 39.000 0.102 0.000 1.008 311 F HN -0.154 nan 8.300 nan 0.000 0.480 312 K N -0.371 120.003 120.400 -0.044 0.000 2.217 312 K HA -0.000 4.313 4.320 -0.011 0.000 0.202 312 K C 1.286 177.803 176.600 -0.138 0.000 1.051 312 K CA 1.122 57.311 56.287 -0.164 0.000 0.952 312 K CB -0.193 32.317 32.500 0.017 0.000 0.736 312 K HN 0.090 nan 8.250 nan 0.000 0.453 313 S N 1.358 117.033 115.700 -0.041 0.000 2.667 313 S HA 0.130 4.593 4.470 -0.011 0.000 0.251 313 S C -0.007 174.595 174.600 0.003 0.000 1.075 313 S CA -0.318 57.896 58.200 0.024 0.000 1.130 313 S CB 0.223 63.489 63.200 0.111 0.000 0.795 313 S HN 0.106 nan 8.310 nan 0.000 0.462 325 N N 0.801 119.460 118.700 -0.069 0.000 2.645 325 N HA 0.299 5.033 4.740 -0.011 0.000 0.233 325 N C -0.502 175.068 175.510 0.099 0.000 1.058 325 N CA -0.148 52.929 53.050 0.046 0.000 0.942 325 N CB 0.212 38.723 38.487 0.041 0.000 1.210 325 N HN 0.124 nan 8.380 nan 0.000 0.512 326 F N 1.663 121.725 119.950 0.186 0.000 2.802 326 F HA 0.064 4.585 4.527 -0.011 0.000 0.300 326 F C 1.356 177.223 175.800 0.111 0.000 1.168 326 F CA 0.121 58.206 58.000 0.141 0.000 1.433 326 F CB 0.298 39.267 39.000 -0.051 0.000 1.115 326 F HN 0.460 nan 8.300 nan 0.000 0.582 327 D N 0.370 120.911 120.400 0.235 0.000 2.178 327 D HA -0.169 4.465 4.640 -0.011 0.000 0.201 327 D C 2.183 178.577 176.300 0.156 0.000 0.980 327 D CA 1.288 55.383 54.000 0.158 0.000 0.842 327 D CB -0.133 40.735 40.800 0.113 0.000 0.948 327 D HN 0.238 nan 8.370 nan 0.000 0.472 328 A N -0.719 122.223 122.820 0.203 0.000 2.251 328 A HA 0.092 4.406 4.320 -0.011 0.000 0.209 328 A C 1.591 179.300 177.584 0.207 0.000 1.187 328 A CA -0.234 51.922 52.037 0.199 0.000 0.823 328 A CB -0.763 18.362 19.000 0.207 0.000 0.846 328 A HN 0.217 nan 8.150 nan 0.000 0.486 329 F N 1.944 121.862 119.950 -0.053 0.000 2.065 329 F HA -0.148 4.373 4.527 -0.010 0.000 0.298 329 F C -0.776 174.912 175.800 -0.187 0.000 1.112 329 F CA 2.593 60.340 58.000 -0.422 0.000 1.212 329 F CB -0.585 38.167 39.000 -0.412 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.089 nan 4.420 nan 0.000 0.226 330 P C 0.690 177.952 177.300 -0.064 0.000 1.153 330 P CA 1.383 64.456 63.100 -0.045 0.000 0.777 330 P CB -0.079 31.621 31.700 0.001 0.000 0.794 331 D N -0.729 119.654 120.400 -0.029 0.000 2.317 331 D HA -0.034 4.600 4.640 -0.011 0.000 0.211 331 D C 1.498 177.786 176.300 -0.020 0.000 0.966 331 D CA 0.926 54.922 54.000 -0.008 0.000 0.876 331 D CB 0.127 40.943 40.800 0.026 0.000 0.927 331 D HN 0.155 nan 8.370 nan 0.000 0.519 332 K N -0.043 120.322 120.400 -0.058 0.000 2.412 332 K HA 0.210 4.523 4.320 -0.011 0.000 0.202 332 K C -0.119 176.401 176.600 -0.133 0.000 1.102 332 K CA 0.085 56.350 56.287 -0.037 0.000 1.027 332 K CB 2.432 35.013 32.500 0.135 0.000 0.931 332 K HN -0.071 nan 8.250 nan 0.000 0.557 333 V N 1.099 120.846 119.914 -0.278 0.000 2.623 333 V HA 0.596 4.710 4.120 -0.011 0.000 0.304 333 V C -1.072 174.936 176.094 -0.143 0.000 1.054 333 V CA -1.269 60.863 62.300 -0.280 0.000 0.882 333 V CB 1.794 33.146 31.823 -0.785 0.000 1.002 333 V HN 0.113 nan 8.190 nan 0.000 0.424 334 A N 5.800 128.592 122.820 -0.047 0.000 2.330 334 A HA 0.919 5.233 4.320 -0.011 0.000 0.313 334 A C -0.907 176.712 177.584 0.059 0.000 1.124 334 A CA -0.477 51.566 52.037 0.009 0.000 0.774 334 A CB 0.902 19.862 19.000 -0.066 0.000 1.198 334 A HN 0.778 nan 8.150 nan 0.000 0.465 335 I N 1.894 122.538 120.570 0.125 0.000 2.355 335 I HA 0.299 4.462 4.170 -0.011 0.000 0.288 335 I C -0.231 175.984 176.117 0.163 0.000 0.999 335 I CA -0.520 60.864 61.300 0.139 0.000 1.163 335 I CB 1.874 39.933 38.000 0.098 0.000 1.316 335 I HN 0.696 nan 8.210 nan 0.000 0.454 336 Q N 6.813 126.710 119.800 0.162 0.000 2.314 336 Q HA 0.501 4.834 4.340 -0.011 0.000 0.259 336 Q C -1.317 174.688 176.000 0.010 0.000 0.951 336 Q CA -0.275 55.645 55.803 0.196 0.000 0.909 336 Q CB 1.312 30.280 28.738 0.382 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.826 125.089 121.223 0.066 0.000 2.261 337 L HA 0.391 4.725 4.340 -0.011 0.000 0.289 337 L C 0.030 176.924 176.870 0.041 0.000 1.059 337 L CA -0.732 54.138 54.840 0.050 0.000 0.816 337 L CB 0.608 42.742 42.059 0.126 0.000 1.191 337 L HN 0.568 nan 8.230 nan 0.000 0.431 338 N N 4.653 123.297 118.700 -0.093 0.000 2.448 338 N HA 0.046 4.779 4.740 -0.011 0.000 0.250 338 N C -0.037 175.484 175.510 0.020 0.000 1.136 338 N CA 0.510 53.550 53.050 -0.016 0.000 0.953 338 N CB -0.043 38.340 38.487 -0.173 0.000 1.251 338 N HN 0.647 nan 8.380 nan 0.000 0.502 339 D N -0.128 120.382 120.400 0.184 0.000 4.160 339 D HA -0.238 4.395 4.640 -0.011 0.000 0.291 339 D C 0.241 176.617 176.300 0.127 0.000 2.226 339 D CA 1.617 55.695 54.000 0.130 0.000 1.157 339 D CB -0.415 40.210 40.800 -0.291 0.000 1.020 339 D HN 0.531 nan 8.370 nan 0.000 1.219 340 T N -2.510 112.050 114.554 0.010 0.000 3.129 340 T HA 0.069 4.412 4.350 -0.011 0.000 0.251 340 T C 1.570 176.327 174.700 0.094 0.000 1.117 340 T CA 1.437 63.537 62.100 0.001 0.000 1.034 340 T CB -0.482 68.366 68.868 -0.034 0.000 0.968 340 T HN 0.482 nan 8.240 nan 0.000 0.526 341 H N 2.608 121.768 119.070 0.151 0.000 2.352 341 H HA 0.006 4.555 4.556 -0.011 0.000 0.299 341 H C -0.871 174.550 175.328 0.154 0.000 1.097 341 H CA 0.946 57.098 56.048 0.174 0.000 1.311 341 H CB -0.986 28.880 29.762 0.174 0.000 1.377 341 H HN 0.438 nan 8.280 nan 0.000 0.504 342 P HA 0.080 nan 4.420 nan 0.000 0.254 342 P C 0.721 178.067 177.300 0.076 0.000 1.620 342 P CA 0.335 63.517 63.100 0.135 0.000 1.050 342 P CB 0.309 32.076 31.700 0.112 0.000 1.539 343 S N -0.180 115.559 115.700 0.065 0.000 2.419 343 S HA -0.141 4.323 4.470 -0.011 0.000 0.235 343 S C 1.753 176.358 174.600 0.008 0.000 1.019 343 S CA 0.839 59.038 58.200 -0.002 0.000 0.982 343 S CB -1.516 61.660 63.200 -0.040 0.000 0.789 343 S HN 0.157 nan 8.310 nan 0.000 0.490 344 L N 1.073 122.316 121.223 0.034 0.000 2.450 344 L HA 0.009 4.343 4.340 -0.011 0.000 0.224 344 L C 2.917 179.823 176.870 0.059 0.000 1.149 344 L CA 0.615 55.477 54.840 0.035 0.000 0.816 344 L CB -0.766 41.313 42.059 0.033 0.000 0.932 344 L HN 0.471 nan 8.230 nan 0.000 0.449 345 A N 0.537 123.375 122.820 0.029 0.000 1.978 345 A HA -0.204 4.109 4.320 -0.011 0.000 0.220 345 A C 2.179 179.765 177.584 0.003 0.000 1.170 345 A CA 1.545 53.585 52.037 0.005 0.000 0.636 345 A CB -0.465 18.529 19.000 -0.009 0.000 0.810 345 A HN 0.380 nan 8.150 nan 0.000 0.448 346 I N 0.234 120.807 120.570 0.006 0.000 2.133 346 I HA -0.137 4.027 4.170 -0.011 0.000 0.238 346 I C -0.348 175.791 176.117 0.037 0.000 1.074 346 I CA 1.518 62.820 61.300 0.003 0.000 1.342 346 I CB -0.966 37.038 38.000 0.006 0.000 1.053 346 I HN 0.241 nan 8.210 nan 0.000 0.404 347 P HA -0.163 nan 4.420 nan 0.000 0.221 347 P C 1.254 178.591 177.300 0.062 0.000 1.150 347 P CA 1.447 64.590 63.100 0.071 0.000 0.800 347 P CB 0.039 31.801 31.700 0.104 0.000 0.787 348 E N 0.280 120.577 120.200 0.162 0.000 2.072 348 E HA -0.148 4.196 4.350 -0.011 0.000 0.191 348 E C 1.922 178.516 176.600 -0.009 0.000 0.985 348 E CA 0.650 57.158 56.400 0.179 0.000 0.801 348 E CB -1.184 28.668 29.700 0.254 0.000 0.750 348 E HN -0.002 nan 8.360 nan 0.000 0.452 349 L N -0.006 121.179 121.223 -0.062 0.000 2.046 349 L HA -0.109 4.224 4.340 -0.011 0.000 0.208 349 L C 2.087 178.823 176.870 -0.225 0.000 1.077 349 L CA 1.765 56.508 54.840 -0.162 0.000 0.747 349 L CB -0.559 41.403 42.059 -0.161 0.000 0.896 349 L HN 0.238 nan 8.230 nan 0.000 0.432 350 M N -0.795 118.690 119.600 -0.192 0.000 2.080 350 M HA -0.228 4.246 4.480 -0.011 0.000 0.260 350 M C 2.437 178.589 176.300 -0.247 0.000 1.068 350 M CA 1.588 56.726 55.300 -0.270 0.000 1.109 350 M CB -1.235 31.192 32.600 -0.288 0.000 1.342 350 M HN 0.334 nan 8.290 nan 0.000 0.405 351 R N 0.072 120.451 120.500 -0.201 0.000 2.080 351 R HA -0.148 4.186 4.340 -0.011 0.000 0.236 351 R C 2.089 178.292 176.300 -0.160 0.000 1.137 351 R CA 1.864 57.846 56.100 -0.197 0.000 0.943 351 R CB -0.254 29.878 30.300 -0.280 0.000 0.846 351 R HN 0.219 nan 8.270 nan 0.000 0.431 352 V N 1.443 121.261 119.914 -0.161 0.000 2.295 352 V HA -0.262 3.851 4.120 -0.011 0.000 0.246 352 V C 2.405 178.342 176.094 -0.261 0.000 1.049 352 V CA 1.784 63.981 62.300 -0.173 0.000 1.024 352 V CB -0.424 31.296 31.823 -0.172 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.711 120.297 121.223 -0.357 0.000 2.093 353 L HA -0.106 4.227 4.340 -0.011 0.000 0.208 353 L C 2.378 179.072 176.870 -0.293 0.000 1.085 353 L CA 0.997 55.560 54.840 -0.461 0.000 0.755 353 L CB -0.561 41.176 42.059 -0.537 0.000 0.904 353 L HN 0.205 nan 8.230 nan 0.000 0.435 354 V N -0.553 119.234 119.914 -0.211 0.000 2.300 354 V HA -0.174 3.939 4.120 -0.011 0.000 0.241 354 V C 1.945 178.002 176.094 -0.062 0.000 1.034 354 V CA 1.667 63.905 62.300 -0.103 0.000 1.021 354 V CB -0.327 31.473 31.823 -0.037 0.000 0.662 354 V HN 0.337 nan 8.190 nan 0.000 0.458 355 D N -0.093 120.266 120.400 -0.069 0.000 2.162 355 D HA 0.001 4.634 4.640 -0.011 0.000 0.203 355 D C 1.997 178.273 176.300 -0.041 0.000 0.967 355 D CA 1.152 55.127 54.000 -0.041 0.000 0.840 355 D CB 0.109 40.882 40.800 -0.044 0.000 0.972 355 D HN 0.329 nan 8.370 nan 0.000 0.482 356 L N 0.091 121.275 121.223 -0.066 0.000 2.388 356 L HA 0.132 4.465 4.340 -0.011 0.000 0.209 356 L C 1.798 178.640 176.870 -0.047 0.000 1.061 356 L CA 0.450 55.261 54.840 -0.048 0.000 0.834 356 L CB 0.185 42.217 42.059 -0.046 0.000 1.029 356 L HN -0.199 nan 8.230 nan 0.000 0.473 357 E N 0.307 120.445 120.200 -0.103 0.000 2.447 357 E HA 0.062 4.406 4.350 -0.011 0.000 0.195 357 E C 0.122 176.688 176.600 -0.057 0.000 1.028 357 E CA -0.047 56.298 56.400 -0.092 0.000 0.876 357 E CB 0.444 29.973 29.700 -0.285 0.000 0.885 357 E HN 0.183 nan 8.360 nan 0.000 0.500 358 R N -0.285 120.179 120.500 -0.060 0.000 3.776 358 R HA -0.180 4.154 4.340 -0.011 0.000 0.312 358 R C -0.312 175.976 176.300 -0.019 0.000 1.181 358 R CA 0.234 56.321 56.100 -0.022 0.000 0.836 358 R CB -2.787 27.517 30.300 0.008 0.000 1.324 358 R HN 0.084 nan 8.270 nan 0.000 0.501 359 L N 2.398 123.581 121.223 -0.066 0.000 2.436 359 L HA 0.131 4.465 4.340 -0.011 0.000 0.265 359 L C 1.453 178.319 176.870 -0.007 0.000 1.168 359 L CA 0.290 55.099 54.840 -0.050 0.000 0.815 359 L CB 0.379 42.360 42.059 -0.131 0.000 1.109 359 L HN 0.126 nan 8.230 nan 0.000 0.462 360 D N 1.202 121.621 120.400 0.032 0.000 2.362 360 D HA -0.141 4.492 4.640 -0.011 0.000 0.242 360 D C 0.943 177.314 176.300 0.118 0.000 1.132 360 D CA -0.509 53.544 54.000 0.088 0.000 0.907 360 D CB 0.734 41.589 40.800 0.093 0.000 1.195 360 D HN 0.626 nan 8.370 nan 0.000 0.429 361 W N 2.342 123.645 121.300 0.005 0.000 2.317 361 W HA -0.246 4.408 4.660 -0.011 0.000 0.318 361 W C 1.045 177.608 176.519 0.074 0.000 1.227 361 W CA 1.977 59.332 57.345 0.017 0.000 1.269 361 W CB -0.299 29.152 29.460 -0.016 0.000 1.155 361 W HN 0.468 nan 8.180 nan 0.000 0.484 362 D N 0.315 120.911 120.400 0.326 0.000 2.123 362 D HA -0.213 4.420 4.640 -0.011 0.000 0.196 362 D C 1.877 178.272 176.300 0.157 0.000 0.992 362 D CA 2.075 56.236 54.000 0.269 0.000 0.833 362 D CB -0.452 40.482 40.800 0.223 0.000 0.954 362 D HN 0.095 nan 8.370 nan 0.000 0.455 363 K N 1.239 121.692 120.400 0.089 0.000 2.025 363 K HA 0.003 4.317 4.320 -0.011 0.000 0.207 363 K C 1.864 178.449 176.600 -0.025 0.000 1.049 363 K CA 1.552 57.864 56.287 0.041 0.000 0.933 363 K CB -0.623 31.898 32.500 0.035 0.000 0.714 363 K HN -0.006 nan 8.250 nan 0.000 0.438 364 A N 0.695 123.458 122.820 -0.095 0.000 1.908 364 A HA -0.195 4.118 4.320 -0.011 0.000 0.218 364 A C 2.276 179.755 177.584 -0.175 0.000 1.181 364 A CA 1.574 53.487 52.037 -0.208 0.000 0.627 364 A CB -1.251 17.564 19.000 -0.309 0.000 0.818 364 A HN 0.709 nan 8.150 nan 0.000 0.445 365 W N 0.589 121.667 121.300 -0.371 0.000 2.358 365 W HA -0.168 4.485 4.660 -0.010 0.000 0.303 365 W C 2.000 178.449 176.519 -0.117 0.000 1.208 365 W CA 1.795 58.967 57.345 -0.289 0.000 1.274 365 W CB -0.130 29.183 29.460 -0.244 0.000 1.138 365 W HN 0.619 nan 8.180 nan 0.000 0.515 366 E N 0.128 120.305 120.200 -0.040 0.000 2.058 366 E HA -0.232 4.112 4.350 -0.011 0.000 0.194 366 E C 2.044 178.561 176.600 -0.139 0.000 0.997 366 E CA 1.991 58.337 56.400 -0.090 0.000 0.801 366 E CB -0.328 29.381 29.700 0.014 0.000 0.746 366 E HN 0.055 nan 8.360 nan 0.000 0.450 367 V N 0.712 120.560 119.914 -0.111 0.000 2.295 367 V HA -0.261 3.852 4.120 -0.011 0.000 0.246 367 V C 2.401 178.425 176.094 -0.117 0.000 1.049 367 V CA 2.197 64.451 62.300 -0.076 0.000 1.024 367 V CB -0.776 30.997 31.823 -0.082 0.000 0.648 367 V HN 0.394 nan 8.190 nan 0.000 0.447 368 T N 0.040 114.452 114.554 -0.237 0.000 2.652 368 T HA -0.188 4.156 4.350 -0.011 0.000 0.267 368 T C 1.948 176.462 174.700 -0.310 0.000 1.039 368 T CA 1.802 63.736 62.100 -0.277 0.000 1.153 368 T CB -0.313 68.338 68.868 -0.361 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.428 369 V N 1.440 121.051 119.914 -0.505 0.000 2.295 369 V HA -0.185 3.929 4.120 -0.011 0.000 0.246 369 V C 2.361 178.406 176.094 -0.082 0.000 1.049 369 V CA 1.673 63.735 62.300 -0.397 0.000 1.024 369 V CB -0.497 31.013 31.823 -0.521 0.000 0.648 369 V HN 0.472 nan 8.190 nan 0.000 0.447 370 K N -0.535 119.803 120.400 -0.103 0.000 2.362 370 K HA -0.090 4.224 4.320 -0.011 0.000 0.200 370 K C 2.061 178.639 176.600 -0.036 0.000 1.046 370 K CA 1.511 57.726 56.287 -0.120 0.000 0.952 370 K CB -0.197 32.229 32.500 -0.123 0.000 0.753 370 K HN 0.473 nan 8.250 nan 0.000 0.466 371 T N 0.097 114.685 114.554 0.057 0.000 2.976 371 T HA 0.029 4.372 4.350 -0.011 0.000 0.257 371 T C 0.857 175.666 174.700 0.181 0.000 1.051 371 T CA 0.370 62.539 62.100 0.115 0.000 1.141 371 T CB 0.138 69.109 68.868 0.171 0.000 0.881 371 T HN 0.161 nan 8.240 nan 0.000 0.461 372 C N 2.397 121.786 119.300 0.149 0.000 2.365 372 C HA 0.888 5.342 4.460 -0.011 0.000 0.351 372 C C 0.566 175.605 174.990 0.082 0.000 1.240 372 C CA -1.192 57.889 59.018 0.106 0.000 2.062 372 C CB 0.134 27.876 27.740 0.003 0.000 2.387 372 C HN 0.591 nan 8.230 nan 0.000 0.537 373 A N 2.182 125.045 122.820 0.071 0.000 2.498 373 A HA 0.783 5.097 4.320 -0.011 0.000 0.298 373 A C -1.600 176.048 177.584 0.107 0.000 1.075 373 A CA -0.430 51.594 52.037 -0.022 0.000 0.714 373 A CB 1.096 20.077 19.000 -0.032 0.000 1.299 373 A HN 0.944 nan 8.150 nan 0.000 0.407 374 Y N 0.999 121.240 120.300 -0.098 0.000 2.361 374 Y HA 0.619 5.162 4.550 -0.010 0.000 0.337 374 Y C -0.570 175.300 175.900 -0.050 0.000 0.965 374 Y CA -0.320 57.734 58.100 -0.077 0.000 1.091 374 Y CB 2.051 40.422 38.460 -0.149 0.000 1.182 374 Y HN 0.573 nan 8.280 nan 0.000 0.450 375 T N 6.538 120.868 114.554 -0.373 0.000 2.758 375 T HA 0.179 4.523 4.350 -0.011 0.000 0.285 375 T C -0.697 173.524 174.700 -0.799 0.000 0.981 375 T CA -0.767 61.044 62.100 -0.482 0.000 0.965 375 T CB 0.391 69.204 68.868 -0.091 0.000 0.927 375 T HN 0.644 nan 8.240 nan 0.000 0.448 376 N N 1.860 120.084 118.700 -0.794 0.000 2.479 376 N HA 0.115 4.849 4.740 -0.011 0.000 0.285 376 N C 0.083 175.477 175.510 -0.193 0.000 1.075 376 N CA -0.289 52.546 53.050 -0.358 0.000 0.967 376 N CB 0.736 39.190 38.487 -0.056 0.000 1.137 376 N HN 0.664 nan 8.380 nan 0.000 0.472 377 H N 1.027 120.130 119.070 0.054 0.000 2.893 377 H HA 0.164 4.713 4.556 -0.011 0.000 0.270 377 H C -0.186 175.066 175.328 -0.128 0.000 1.095 377 H CA 0.035 56.065 56.048 -0.030 0.000 1.186 377 H CB 1.167 30.918 29.762 -0.018 0.000 1.562 377 H HN 0.535 nan 8.280 nan 0.000 0.536 378 T N 0.151 114.742 114.554 0.060 0.000 2.893 378 T HA 0.202 4.545 4.350 -0.011 0.000 0.337 378 T C 0.378 175.119 174.700 0.068 0.000 1.587 378 T CA -0.332 61.754 62.100 -0.024 0.000 1.066 378 T CB 1.222 70.064 68.868 -0.043 0.000 1.414 378 T HN -0.048 nan 8.240 nan 0.000 0.488 379 V N 1.719 121.635 119.914 0.004 0.000 3.578 379 V HA 0.558 4.671 4.120 -0.011 0.000 0.290 379 V C 0.651 176.712 176.094 -0.054 0.000 1.376 379 V CA 0.048 62.334 62.300 -0.024 0.000 1.083 379 V CB -0.497 31.311 31.823 -0.025 0.000 0.911 379 V HN 0.688 nan 8.190 nan 0.000 0.433 380 L N 3.112 124.292 121.223 -0.072 0.000 2.534 380 L HA 0.209 4.543 4.340 -0.011 0.000 0.271 380 L C -0.568 176.302 176.870 -0.001 0.000 1.178 380 L CA -0.948 53.870 54.840 -0.038 0.000 0.907 380 L CB 0.535 42.549 42.059 -0.075 0.000 1.164 380 L HN 0.128 nan 8.230 nan 0.000 0.482 381 P HA -0.218 nan 4.420 nan 0.000 0.216 381 P C 0.971 178.269 177.300 -0.003 0.000 1.150 381 P CA 1.260 64.358 63.100 -0.004 0.000 0.837 381 P CB 0.053 31.755 31.700 0.005 0.000 0.786 382 E N 0.280 120.507 120.200 0.044 0.000 2.418 382 E HA -0.044 4.300 4.350 -0.011 0.000 0.197 382 E C 1.598 178.163 176.600 -0.059 0.000 1.026 382 E CA 1.021 57.429 56.400 0.013 0.000 0.862 382 E CB -0.737 29.069 29.700 0.177 0.000 0.799 382 E HN 0.193 nan 8.360 nan 0.000 0.518 383 A N 1.275 124.105 122.820 0.017 0.000 2.195 383 A HA 0.229 4.542 4.320 -0.011 0.000 0.210 383 A C 1.309 178.883 177.584 -0.016 0.000 1.165 383 A CA -0.272 51.791 52.037 0.043 0.000 0.806 383 A CB -0.079 18.975 19.000 0.090 0.000 0.847 383 A HN 0.147 nan 8.150 nan 0.000 0.482 384 L N 1.439 122.604 121.223 -0.096 0.000 2.367 384 L HA 0.174 4.508 4.340 -0.011 0.000 0.275 384 L C -0.146 176.392 176.870 -0.553 0.000 1.129 384 L CA -0.205 54.518 54.840 -0.195 0.000 0.839 384 L CB 0.642 42.620 42.059 -0.135 0.000 1.133 384 L HN 0.319 nan 8.230 nan 0.000 0.453 385 E N 4.178 123.966 120.200 -0.687 0.000 2.180 385 E HA 0.221 4.565 4.350 -0.011 0.000 0.283 385 E C -0.574 175.393 176.600 -1.054 0.000 1.061 385 E CA -0.155 55.398 56.400 -1.411 0.000 0.861 385 E CB 0.727 29.955 29.700 -0.788 0.000 1.056 385 E HN 0.396 nan 8.360 nan 0.000 0.407 386 R N 3.656 123.385 120.500 -1.285 0.000 2.487 386 R HA 0.190 4.523 4.340 -0.011 0.000 0.288 386 R C -1.258 174.859 176.300 -0.305 0.000 1.394 386 R CA -0.531 55.254 56.100 -0.526 0.000 1.155 386 R CB 0.787 30.910 30.300 -0.296 0.000 1.156 386 R HN 0.455 nan 8.270 nan 0.000 0.553 387 W N 4.465 125.712 121.300 -0.088 0.000 2.311 387 W HA 0.260 4.913 4.660 -0.011 0.000 0.310 387 W C -1.871 174.625 176.519 -0.037 0.000 1.274 387 W CA -2.111 55.247 57.345 0.021 0.000 1.215 387 W CB 0.721 30.171 29.460 -0.017 0.000 1.227 387 W HN 0.248 nan 8.180 nan 0.000 0.523 388 P HA -0.099 nan 4.420 nan 0.000 0.264 388 P C 0.786 178.030 177.300 -0.093 0.000 1.193 388 P CA 0.246 63.326 63.100 -0.033 0.000 0.763 388 P CB 0.712 32.222 31.700 -0.317 0.000 0.810 389 V N 3.257 123.166 119.914 -0.009 0.000 2.392 389 V HA -0.286 3.827 4.120 -0.011 0.000 0.249 389 V C 2.149 178.250 176.094 0.011 0.000 1.059 389 V CA 2.540 64.853 62.300 0.022 0.000 1.051 389 V CB -1.724 30.172 31.823 0.121 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -0.876 118.252 119.070 0.096 0.000 2.421 390 H HA -0.094 4.456 4.556 -0.011 0.000 0.298 390 H C 2.007 177.382 175.328 0.079 0.000 1.087 390 H CA 1.674 57.774 56.048 0.086 0.000 1.330 390 H CB -0.634 29.180 29.762 0.087 0.000 1.388 390 H HN 0.352 nan 8.280 nan 0.000 0.526 391 L N -0.067 121.010 121.223 -0.243 0.000 2.027 391 L HA -0.104 4.230 4.340 -0.011 0.000 0.206 391 L C 2.449 179.270 176.870 -0.082 0.000 1.074 391 L CA 1.106 55.898 54.840 -0.080 0.000 0.745 391 L CB -0.306 41.696 42.059 -0.095 0.000 0.898 391 L HN 0.311 nan 8.230 nan 0.000 0.433 392 L N -0.579 120.570 121.223 -0.122 0.000 2.093 392 L HA -0.223 4.111 4.340 -0.011 0.000 0.208 392 L C 2.511 179.315 176.870 -0.110 0.000 1.085 392 L CA 1.078 55.819 54.840 -0.164 0.000 0.755 392 L CB -0.388 41.563 42.059 -0.179 0.000 0.904 392 L HN 0.305 nan 8.230 nan 0.000 0.435 393 E N -0.459 119.719 120.200 -0.036 0.000 2.085 393 E HA -0.215 4.128 4.350 -0.011 0.000 0.194 393 E C 1.896 178.529 176.600 0.054 0.000 0.994 393 E CA 1.892 58.302 56.400 0.017 0.000 0.801 393 E CB 0.150 29.900 29.700 0.083 0.000 0.743 393 E HN 0.426 nan 8.360 nan 0.000 0.453 394 T N 0.529 115.137 114.554 0.090 0.000 2.894 394 T HA -0.055 4.288 4.350 -0.011 0.000 0.258 394 T C 1.678 176.478 174.700 0.166 0.000 1.043 394 T CA 0.576 62.780 62.100 0.173 0.000 1.141 394 T CB -0.071 68.933 68.868 0.225 0.000 0.873 394 T HN 0.063 nan 8.240 nan 0.000 0.449 395 L N 0.059 121.276 121.223 -0.010 0.000 2.127 395 L HA 0.369 4.702 4.340 -0.011 0.000 0.203 395 L C 0.395 177.197 176.870 -0.115 0.000 1.080 395 L CA 1.572 56.284 54.840 -0.213 0.000 0.768 395 L CB 0.055 41.952 42.059 -0.269 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.671 121.793 121.223 -0.169 0.000 2.625 396 L HA 0.289 4.623 4.340 -0.011 0.000 0.255 396 L C -1.709 174.976 176.870 -0.308 0.000 1.493 396 L CA -0.903 53.752 54.840 -0.309 0.000 0.796 396 L CB 0.886 42.625 42.059 -0.534 0.000 1.064 396 L HN -0.057 nan 8.230 nan 0.000 0.516 397 P HA -0.194 nan 4.420 nan 0.000 0.216 397 P C 1.451 178.553 177.300 -0.329 0.000 1.150 397 P CA 1.125 64.100 63.100 -0.209 0.000 0.837 397 P CB 0.389 32.039 31.700 -0.083 0.000 0.786 398 R N -0.163 119.958 120.500 -0.633 0.000 2.090 398 R HA -0.122 4.212 4.340 -0.011 0.000 0.228 398 R C 2.294 178.286 176.300 -0.514 0.000 1.110 398 R CA 1.612 57.346 56.100 -0.611 0.000 0.973 398 R CB -1.638 28.134 30.300 -0.881 0.000 0.869 398 R HN 0.243 nan 8.270 nan 0.000 0.440 399 H N -0.291 118.470 119.070 -0.515 0.000 2.387 399 H HA -0.049 4.500 4.556 -0.011 0.000 0.299 399 H C 1.818 176.973 175.328 -0.288 0.000 1.090 399 H CA 1.650 57.481 56.048 -0.362 0.000 1.332 399 H CB -0.133 29.382 29.762 -0.412 0.000 1.386 399 H HN 0.077 nan 8.280 nan 0.000 0.516 400 L N 0.555 121.649 121.223 -0.215 0.000 2.012 400 L HA -0.269 4.064 4.340 -0.011 0.000 0.210 400 L C 1.935 178.591 176.870 -0.357 0.000 1.073 400 L CA 1.661 56.299 54.840 -0.336 0.000 0.748 400 L CB -0.311 41.562 42.059 -0.310 0.000 0.891 400 L HN 0.456 nan 8.230 nan 0.000 0.431 401 Q N -0.329 119.373 119.800 -0.163 0.000 2.096 401 Q HA -0.241 4.093 4.340 -0.011 0.000 0.204 401 Q C 2.167 178.175 176.000 0.014 0.000 0.982 401 Q CA 1.701 57.502 55.803 -0.004 0.000 0.850 401 Q CB -0.121 28.622 28.738 0.009 0.000 0.901 401 Q HN 0.566 nan 8.270 nan 0.000 0.422 402 I N 0.378 120.937 120.570 -0.018 0.000 2.252 402 I HA -0.273 3.890 4.170 -0.011 0.000 0.245 402 I C 2.160 178.348 176.117 0.118 0.000 1.102 402 I CA 1.029 62.399 61.300 0.117 0.000 1.385 402 I CB -0.169 37.863 38.000 0.052 0.000 1.064 402 I HN 0.192 nan 8.210 nan 0.000 0.414 403 I N -0.420 120.142 120.570 -0.014 0.000 2.226 403 I HA -0.323 3.840 4.170 -0.011 0.000 0.245 403 I C 2.437 178.577 176.117 0.039 0.000 1.100 403 I CA 1.447 62.732 61.300 -0.026 0.000 1.374 403 I CB -0.416 37.502 38.000 -0.137 0.000 1.057 403 I HN 0.149 nan 8.210 nan 0.000 0.413 404 Y N 0.873 121.178 120.300 0.009 0.000 2.165 404 Y HA -0.291 4.253 4.550 -0.011 0.000 0.286 404 Y C 2.621 178.490 175.900 -0.052 0.000 1.155 404 Y CA 1.636 59.728 58.100 -0.014 0.000 1.164 404 Y CB -0.852 37.592 38.460 -0.027 0.000 0.978 404 Y HN 0.209 nan 8.280 nan 0.000 0.513 405 E N 0.332 120.573 120.200 0.069 0.000 2.106 405 E HA -0.136 4.207 4.350 -0.011 0.000 0.192 405 E C 2.067 178.592 176.600 -0.125 0.000 0.984 405 E CA 1.190 57.493 56.400 -0.161 0.000 0.806 405 E CB -0.541 28.890 29.700 -0.448 0.000 0.750 405 E HN 0.482 nan 8.360 nan 0.000 0.458 406 I N 0.653 121.250 120.570 0.044 0.000 2.226 406 I HA -0.279 3.885 4.170 -0.011 0.000 0.245 406 I C 2.260 178.387 176.117 0.016 0.000 1.100 406 I CA 1.354 62.635 61.300 -0.032 0.000 1.374 406 I CB -0.385 37.593 38.000 -0.036 0.000 1.057 406 I HN 0.205 nan 8.210 nan 0.000 0.413 407 N N 0.718 119.472 118.700 0.091 0.000 2.084 407 N HA -0.267 4.467 4.740 -0.011 0.000 0.190 407 N C 1.872 177.469 175.510 0.144 0.000 1.030 407 N CA 1.542 54.693 53.050 0.169 0.000 0.849 407 N CB -0.158 38.444 38.487 0.192 0.000 1.012 407 N HN 0.324 nan 8.380 nan 0.000 0.423 408 Q N 0.039 119.871 119.800 0.053 0.000 2.061 408 Q HA -0.136 4.197 4.340 -0.011 0.000 0.204 408 Q C 2.006 177.995 176.000 -0.018 0.000 0.984 408 Q CA 1.422 57.221 55.803 -0.007 0.000 0.846 408 Q CB -0.013 28.681 28.738 -0.073 0.000 0.902 408 Q HN 0.371 nan 8.270 nan 0.000 0.421 409 R N -0.736 119.735 120.500 -0.048 0.000 2.092 409 R HA -0.116 4.218 4.340 -0.011 0.000 0.231 409 R C 2.141 178.475 176.300 0.056 0.000 1.119 409 R CA 1.317 57.389 56.100 -0.046 0.000 0.970 409 R CB -0.318 29.908 30.300 -0.123 0.000 0.864 409 R HN 0.279 nan 8.270 nan 0.000 0.440 410 F N 1.278 121.209 119.950 -0.031 0.000 2.113 410 F HA -0.074 4.447 4.527 -0.011 0.000 0.297 410 F C 1.797 177.622 175.800 0.043 0.000 1.103 410 F CA 1.293 59.320 58.000 0.045 0.000 1.248 410 F CB -0.126 38.932 39.000 0.097 0.000 0.999 410 F HN -0.118 nan 8.300 nan 0.000 0.475 411 L N 0.002 121.249 121.223 0.039 0.000 2.141 411 L HA -0.225 4.109 4.340 -0.011 0.000 0.209 411 L C 1.949 178.762 176.870 -0.094 0.000 1.094 411 L CA 1.516 56.317 54.840 -0.064 0.000 0.763 411 L CB -0.890 41.188 42.059 0.032 0.000 0.908 411 L HN 0.247 nan 8.230 nan 0.000 0.437 412 N N -0.193 118.469 118.700 -0.064 0.000 2.166 412 N HA -0.170 4.563 4.740 -0.011 0.000 0.186 412 N C 1.925 177.387 175.510 -0.081 0.000 1.019 412 N CA 0.791 53.804 53.050 -0.062 0.000 0.856 412 N CB -0.003 38.454 38.487 -0.050 0.000 0.993 412 N HN 0.272 nan 8.380 nan 0.000 0.426 413 R N 0.490 120.923 120.500 -0.112 0.000 2.075 413 R HA -0.036 4.298 4.340 -0.011 0.000 0.232 413 R C 2.155 178.359 176.300 -0.160 0.000 1.126 413 R CA 0.813 56.838 56.100 -0.125 0.000 0.963 413 R CB -0.229 30.002 30.300 -0.117 0.000 0.858 413 R HN 0.075 nan 8.270 nan 0.000 0.435 414 V N 0.828 120.596 119.914 -0.244 0.000 2.295 414 V HA -0.233 3.881 4.120 -0.011 0.000 0.246 414 V C 2.391 178.487 176.094 0.004 0.000 1.049 414 V CA 1.981 64.201 62.300 -0.133 0.000 1.024 414 V CB -0.693 30.979 31.823 -0.252 0.000 0.648 414 V HN 0.409 nan 8.190 nan 0.000 0.447 415 A N -0.054 122.740 122.820 -0.043 0.000 1.972 415 A HA -0.090 4.223 4.320 -0.011 0.000 0.219 415 A C 2.374 179.941 177.584 -0.028 0.000 1.169 415 A CA 2.027 54.054 52.037 -0.016 0.000 0.635 415 A CB -0.645 18.337 19.000 -0.031 0.000 0.810 415 A HN 0.574 nan 8.150 nan 0.000 0.446 416 A N -0.511 122.274 122.820 -0.059 0.000 1.968 416 A HA 0.301 4.615 4.320 -0.011 0.000 0.217 416 A C 2.384 179.889 177.584 -0.132 0.000 1.169 416 A CA 1.682 53.672 52.037 -0.078 0.000 0.638 416 A CB -0.683 18.274 19.000 -0.071 0.000 0.812 416 A HN 0.945 nan 8.150 nan 0.000 0.446 417 A N -1.648 121.058 122.820 -0.190 0.000 1.975 417 A HA 0.365 4.678 4.320 -0.011 0.000 0.215 417 A C 0.456 177.620 177.584 -0.700 0.000 1.170 417 A CA 0.555 52.319 52.037 -0.454 0.000 0.656 417 A CB -0.170 18.507 19.000 -0.539 0.000 0.821 417 A HN 0.419 nan 8.150 nan 0.000 0.449 418 F N 0.044 119.948 119.950 -0.077 0.000 2.622 418 F HA 0.343 4.863 4.527 -0.011 0.000 0.338 418 F C -2.791 172.974 175.800 -0.060 0.000 1.334 418 F CA -2.774 55.186 58.000 -0.068 0.000 1.179 418 F CB 0.879 39.830 39.000 -0.081 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.227 nan 4.420 nan 0.000 0.267 419 P C 1.000 178.321 177.300 0.035 0.000 1.205 419 P CA 0.876 63.990 63.100 0.022 0.000 0.765 419 P CB 1.007 32.702 31.700 -0.010 0.000 0.828 420 G N 2.487 111.300 108.800 0.022 0.000 2.234 420 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.260 420 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.260 420 G C 0.341 175.250 174.900 0.015 0.000 0.987 420 G CA 0.035 45.143 45.100 0.014 0.000 0.625 420 G HN 0.607 nan 8.290 nan 0.000 0.532 421 D N 1.554 121.971 120.400 0.029 0.000 2.551 421 D HA 0.372 5.005 4.640 -0.011 0.000 0.223 421 D C 2.117 178.407 176.300 -0.016 0.000 1.144 421 D CA 0.430 54.433 54.000 0.006 0.000 1.025 421 D CB 0.353 41.157 40.800 0.007 0.000 1.085 421 D HN 0.608 nan 8.370 nan 0.000 0.506 422 V N 0.699 120.606 119.914 -0.013 0.000 2.515 422 V HA -0.149 3.965 4.120 -0.011 0.000 0.250 422 V C 1.795 177.877 176.094 -0.020 0.000 1.058 422 V CA 1.558 63.850 62.300 -0.014 0.000 1.064 422 V CB -0.495 31.324 31.823 -0.008 0.000 0.675 422 V HN 0.223 nan 8.190 nan 0.000 0.461 423 D N 0.219 120.604 120.400 -0.026 0.000 2.183 423 D HA -0.140 4.494 4.640 -0.011 0.000 0.203 423 D C 2.333 178.605 176.300 -0.046 0.000 0.969 423 D CA 1.092 55.076 54.000 -0.026 0.000 0.842 423 D CB -0.174 40.611 40.800 -0.024 0.000 0.957 423 D HN 0.417 nan 8.370 nan 0.000 0.484 424 R N -0.139 120.309 120.500 -0.086 0.000 2.081 424 R HA -0.088 4.246 4.340 -0.011 0.000 0.235 424 R C 2.218 178.451 176.300 -0.113 0.000 1.131 424 R CA 0.866 56.878 56.100 -0.146 0.000 0.960 424 R CB -0.219 29.931 30.300 -0.250 0.000 0.856 424 R HN 0.259 nan 8.270 nan 0.000 0.436 425 L N 0.565 121.746 121.223 -0.069 0.000 2.012 425 L HA -0.224 4.110 4.340 -0.011 0.000 0.210 425 L C 2.672 179.547 176.870 0.008 0.000 1.073 425 L CA 1.913 56.731 54.840 -0.035 0.000 0.748 425 L CB -0.504 41.543 42.059 -0.020 0.000 0.891 425 L HN 0.290 nan 8.230 nan 0.000 0.431 426 R N 0.106 120.615 120.500 0.016 0.000 2.090 426 R HA -0.097 4.237 4.340 -0.011 0.000 0.228 426 R C 2.175 178.525 176.300 0.084 0.000 1.110 426 R CA 0.971 57.102 56.100 0.051 0.000 0.973 426 R CB -0.553 29.770 30.300 0.039 0.000 0.869 426 R HN 0.184 nan 8.270 nan 0.000 0.440 427 R N 0.163 120.696 120.500 0.055 0.000 2.092 427 R HA 0.080 4.414 4.340 -0.011 0.000 0.231 427 R C 2.072 178.462 176.300 0.149 0.000 1.119 427 R CA 1.859 58.016 56.100 0.096 0.000 0.970 427 R CB -0.222 30.095 30.300 0.027 0.000 0.864 427 R HN 0.329 nan 8.270 nan 0.000 0.440 428 M N 0.136 119.749 119.600 0.022 0.000 2.509 428 M HA 0.043 4.517 4.480 -0.011 0.000 0.250 428 M C 0.836 177.287 176.300 0.252 0.000 1.132 428 M CA -0.003 55.257 55.300 -0.068 0.000 1.080 428 M CB 0.463 32.869 32.600 -0.324 0.000 1.408 428 M HN -0.075 nan 8.290 nan 0.000 0.484 429 S N 1.098 116.960 115.700 0.269 0.000 2.558 429 S HA 0.071 4.534 4.470 -0.011 0.000 0.288 429 S C 1.171 176.023 174.600 0.420 0.000 1.318 429 S CA -0.293 58.090 58.200 0.305 0.000 1.056 429 S CB 0.579 63.901 63.200 0.204 0.000 0.853 429 S HN 0.369 nan 8.310 nan 0.000 0.505 430 L N 4.101 125.526 121.223 0.336 0.000 2.291 430 L HA 0.080 4.413 4.340 -0.011 0.000 0.214 430 L C 0.384 177.364 176.870 0.183 0.000 1.120 430 L CA 0.369 55.366 54.840 0.262 0.000 0.799 430 L CB -0.511 41.647 42.059 0.167 0.000 0.925 430 L HN 0.405 nan 8.230 nan 0.000 0.446 431 V N 0.921 120.954 119.914 0.198 0.000 2.383 431 V HA 0.160 4.273 4.120 -0.011 0.000 0.275 431 V C 0.078 176.258 176.094 0.144 0.000 1.036 431 V CA -0.556 61.849 62.300 0.175 0.000 0.889 431 V CB 1.310 33.268 31.823 0.226 0.000 0.985 431 V HN 0.180 nan 8.190 nan 0.000 0.459 432 E N 3.404 123.668 120.200 0.108 0.000 2.146 432 E HA 0.399 4.743 4.350 -0.011 0.000 0.282 432 E C -0.680 175.970 176.600 0.082 0.000 0.989 432 E CA -0.527 55.925 56.400 0.087 0.000 0.799 432 E CB 1.895 31.626 29.700 0.052 0.000 1.088 432 E HN 0.631 nan 8.360 nan 0.000 0.397 433 E N 0.964 121.209 120.200 0.075 0.000 2.349 433 E HA 0.593 4.937 4.350 -0.011 0.000 0.262 433 E C 0.106 176.739 176.600 0.056 0.000 1.088 433 E CA 0.285 56.724 56.400 0.065 0.000 0.899 433 E CB 1.441 31.173 29.700 0.053 0.000 1.044 433 E HN 0.638 nan 8.360 nan 0.000 0.420 434 G N -0.180 108.653 108.800 0.054 0.000 2.351 434 G HA2 0.303 4.257 3.960 -0.011 0.000 0.279 434 G HA3 0.303 4.257 3.960 -0.011 0.000 0.279 434 G C 0.252 175.183 174.900 0.051 0.000 1.297 434 G CA -0.042 45.087 45.100 0.049 0.000 0.886 434 G HN 0.544 nan 8.290 nan 0.000 0.493 435 A N -0.978 121.871 122.820 0.049 0.000 1.859 435 A HA 0.304 4.618 4.320 -0.011 0.000 0.217 435 A C 1.579 179.203 177.584 0.068 0.000 1.198 435 A CA 3.330 55.397 52.037 0.050 0.000 0.629 435 A CB -1.172 17.855 19.000 0.045 0.000 0.830 435 A HN 2.205 nan 8.150 nan 0.000 0.446 436 V N -2.684 117.281 119.914 0.085 0.000 2.417 436 V HA 0.499 4.613 4.120 -0.011 0.000 0.291 436 V C -0.518 175.645 176.094 0.115 0.000 1.024 436 V CA -1.431 60.944 62.300 0.124 0.000 0.861 436 V CB 1.359 33.283 31.823 0.169 0.000 0.985 436 V HN 0.294 nan 8.190 nan 0.000 0.436 437 K N 4.294 124.770 120.400 0.128 0.000 2.401 437 K HA 0.481 4.795 4.320 -0.011 0.000 0.278 437 K C -0.352 176.316 176.600 0.112 0.000 1.018 437 K CA -0.129 56.229 56.287 0.118 0.000 0.981 437 K CB 0.931 33.512 32.500 0.136 0.000 0.933 437 K HN 0.731 nan 8.250 nan 0.000 0.477 438 R N 1.579 122.134 120.500 0.091 0.000 2.837 438 R HA 0.477 4.811 4.340 -0.011 0.000 0.271 438 R C -0.551 175.787 176.300 0.063 0.000 0.993 438 R CA -1.002 55.141 56.100 0.071 0.000 0.931 438 R CB 1.368 31.691 30.300 0.039 0.000 1.206 438 R HN 0.388 nan 8.270 nan 0.000 0.474 439 I N 1.942 122.546 120.570 0.056 0.000 2.336 439 I HA 0.156 4.319 4.170 -0.011 0.000 0.292 439 I C -0.116 175.986 176.117 -0.026 0.000 0.991 439 I CA -0.677 60.645 61.300 0.036 0.000 1.227 439 I CB 1.117 39.138 38.000 0.035 0.000 1.366 439 I HN 0.496 nan 8.210 nan 0.000 0.466 440 N N 7.092 125.747 118.700 -0.074 0.000 2.402 440 N HA 0.099 4.833 4.740 -0.011 0.000 0.252 440 N C 0.774 176.185 175.510 -0.164 0.000 1.118 440 N CA -0.313 52.611 53.050 -0.210 0.000 0.945 440 N CB 0.999 39.213 38.487 -0.456 0.000 1.147 440 N HN 0.390 nan 8.380 nan 0.000 0.495 441 M N 2.395 121.899 119.600 -0.160 0.000 2.319 441 M HA -0.030 4.443 4.480 -0.011 0.000 0.265 441 M C 1.899 178.062 176.300 -0.228 0.000 1.068 441 M CA 0.595 55.819 55.300 -0.126 0.000 1.118 441 M CB -1.477 31.094 32.600 -0.050 0.000 1.395 441 M HN 0.598 nan 8.290 nan 0.000 0.435 442 A N -0.380 122.304 122.820 -0.227 0.000 1.898 442 A HA -0.166 4.147 4.320 -0.011 0.000 0.216 442 A C 1.984 179.355 177.584 -0.355 0.000 1.181 442 A CA 1.422 53.291 52.037 -0.279 0.000 0.620 442 A CB -1.099 17.946 19.000 0.076 0.000 0.819 442 A HN 0.585 nan 8.150 nan 0.000 0.442 443 H N -1.034 117.834 119.070 -0.337 0.000 2.389 443 H HA -0.030 4.519 4.556 -0.011 0.000 0.299 443 H C 2.123 177.240 175.328 -0.352 0.000 1.081 443 H CA 0.939 56.757 56.048 -0.384 0.000 1.345 443 H CB -0.066 29.688 29.762 -0.013 0.000 1.393 443 H HN 0.359 nan 8.280 nan 0.000 0.520 444 L N 0.441 121.590 121.223 -0.123 0.000 2.012 444 L HA -0.235 4.098 4.340 -0.011 0.000 0.210 444 L C 2.265 179.002 176.870 -0.222 0.000 1.073 444 L CA 1.344 56.105 54.840 -0.131 0.000 0.748 444 L CB -0.404 41.604 42.059 -0.085 0.000 0.891 444 L HN 0.454 nan 8.230 nan 0.000 0.431 445 C N -0.050 119.013 119.300 -0.396 0.000 2.429 445 C HA -0.162 4.292 4.460 -0.011 0.000 0.277 445 C C 2.658 177.384 174.990 -0.440 0.000 1.262 445 C CA 0.549 59.245 59.018 -0.536 0.000 1.733 445 C CB -0.728 26.299 27.740 -1.188 0.000 2.010 445 C HN 0.508 nan 8.230 nan 0.000 0.483 446 I N 1.532 121.796 120.570 -0.510 0.000 2.179 446 I HA -0.204 3.960 4.170 -0.011 0.000 0.242 446 I C 2.779 178.750 176.117 -0.244 0.000 1.088 446 I CA 1.664 62.715 61.300 -0.414 0.000 1.357 446 I CB -0.632 36.974 38.000 -0.658 0.000 1.051 446 I HN 0.261 nan 8.210 nan 0.000 0.409 447 A N 0.638 123.280 122.820 -0.297 0.000 1.908 447 A HA -0.152 4.162 4.320 -0.011 0.000 0.218 447 A C 2.216 179.849 177.584 0.082 0.000 1.181 447 A CA 2.066 53.963 52.037 -0.233 0.000 0.627 447 A CB -1.255 17.423 19.000 -0.537 0.000 0.818 447 A HN 0.499 nan 8.150 nan 0.000 0.445 448 G N -1.369 107.418 108.800 -0.021 0.000 3.337 448 G HA2 0.424 4.378 3.960 -0.011 0.000 0.246 448 G HA3 0.424 4.378 3.960 -0.011 0.000 0.246 448 G C 0.083 174.823 174.900 -0.266 0.000 1.131 448 G CA 0.510 45.484 45.100 -0.208 0.000 0.773 448 G HN 0.349 nan 8.290 nan 0.000 0.544 449 S N -0.340 115.257 115.700 -0.172 0.000 2.536 449 S HA 0.319 4.783 4.470 -0.011 0.000 0.298 449 S C 0.756 175.302 174.600 -0.090 0.000 1.083 449 S CA -0.709 57.413 58.200 -0.130 0.000 0.995 449 S CB 1.297 64.423 63.200 -0.123 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N 0.033 119.064 119.070 -0.064 0.000 2.551 450 H HA 0.466 5.016 4.556 -0.011 0.000 0.266 450 H C 0.138 175.453 175.328 -0.021 0.000 0.964 450 H CA 0.312 56.350 56.048 -0.018 0.000 1.180 450 H CB 0.166 29.930 29.762 0.004 0.000 1.408 450 H HN 0.502 nan 8.280 nan 0.000 0.563 451 A N 1.091 123.597 122.820 -0.522 0.000 2.455 451 A HA 0.555 4.869 4.320 -0.011 0.000 0.300 451 A C -1.381 175.997 177.584 -0.343 0.000 1.040 451 A CA -0.583 51.210 52.037 -0.407 0.000 0.697 451 A CB 2.247 20.974 19.000 -0.455 0.000 1.265 451 A HN 0.100 nan 8.150 nan 0.000 0.407 452 V N 4.324 124.000 119.914 -0.396 0.000 2.483 452 V HA 0.507 4.620 4.120 -0.011 0.000 0.297 452 V C -0.719 175.178 176.094 -0.328 0.000 1.027 452 V CA -0.791 61.261 62.300 -0.413 0.000 0.855 452 V CB 1.725 33.144 31.823 -0.674 0.000 0.995 452 V HN 1.003 nan 8.190 nan 0.000 0.424 453 N N 3.253 121.781 118.700 -0.286 0.000 2.240 453 N HA 0.613 5.346 4.740 -0.011 0.000 0.302 453 N C -0.212 175.191 175.510 -0.178 0.000 1.106 453 N CA -0.360 52.567 53.050 -0.204 0.000 0.778 453 N CB 2.909 41.254 38.487 -0.237 0.000 1.431 453 N HN 0.622 nan 8.380 nan 0.000 0.479 454 G N -0.711 108.027 108.800 -0.103 0.000 2.535 454 G HA2 0.418 4.372 3.960 -0.011 0.000 0.303 454 G HA3 0.418 4.372 3.960 -0.011 0.000 0.303 454 G C 0.769 175.731 174.900 0.104 0.000 1.237 454 G CA -0.446 44.657 45.100 0.005 0.000 0.986 454 G HN 0.637 nan 8.290 nan 0.000 0.494 455 V N -3.935 116.153 119.914 0.291 0.000 3.528 455 V HA 0.701 4.814 4.120 -0.011 0.000 0.294 455 V C 0.563 176.735 176.094 0.130 0.000 1.404 455 V CA 0.458 62.839 62.300 0.134 0.000 1.065 455 V CB -0.667 31.186 31.823 0.051 0.000 0.904 455 V HN 1.325 nan 8.190 nan 0.000 0.435 456 A N -0.016 122.894 122.820 0.151 0.000 2.605 456 A HA 0.653 4.966 4.320 -0.011 0.000 0.294 456 A C 0.694 178.331 177.584 0.087 0.000 1.062 456 A CA -0.099 52.004 52.037 0.110 0.000 0.682 456 A CB 1.249 20.303 19.000 0.090 0.000 1.278 456 A HN 0.031 nan 8.150 nan 0.000 0.410 457 R N 0.718 121.249 120.500 0.051 0.000 2.096 457 R HA -0.157 4.177 4.340 -0.011 0.000 0.240 457 R C 1.673 177.975 176.300 0.003 0.000 1.139 457 R CA 2.282 58.390 56.100 0.013 0.000 0.952 457 R CB -0.259 30.043 30.300 0.004 0.000 0.854 457 R HN 0.816 nan 8.270 nan 0.000 0.436 458 I N 0.269 120.849 120.570 0.018 0.000 2.286 458 I HA -0.307 3.857 4.170 -0.011 0.000 0.248 458 I C 2.356 178.487 176.117 0.024 0.000 1.115 458 I CA 1.911 63.214 61.300 0.006 0.000 1.392 458 I CB -0.228 37.775 38.000 0.003 0.000 1.065 458 I HN 0.359 nan 8.210 nan 0.000 0.418 459 H N 0.277 119.323 119.070 -0.040 0.000 2.326 459 H HA -0.124 4.425 4.556 -0.011 0.000 0.301 459 H C 2.292 177.593 175.328 -0.045 0.000 1.081 459 H CA 2.215 58.236 56.048 -0.045 0.000 1.334 459 H CB -0.297 29.443 29.762 -0.036 0.000 1.385 459 H HN 0.241 nan 8.280 nan 0.000 0.504 460 S N 0.417 116.009 115.700 -0.179 0.000 2.383 460 S HA -0.137 4.326 4.470 -0.011 0.000 0.229 460 S C 1.899 176.386 174.600 -0.189 0.000 1.030 460 S CA 1.276 59.350 58.200 -0.210 0.000 1.002 460 S CB -0.094 63.050 63.200 -0.092 0.000 0.829 460 S HN 0.493 nan 8.310 nan 0.000 0.467 461 E N 1.098 121.209 120.200 -0.149 0.000 2.072 461 E HA -0.004 4.339 4.350 -0.011 0.000 0.191 461 E C 2.030 178.522 176.600 -0.181 0.000 0.985 461 E CA 0.631 56.933 56.400 -0.164 0.000 0.801 461 E CB -0.372 29.262 29.700 -0.111 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 1.021 121.498 120.570 -0.154 0.000 2.264 462 I HA -0.277 3.887 4.170 -0.011 0.000 0.248 462 I C 2.390 178.389 176.117 -0.196 0.000 1.111 462 I CA 0.798 62.011 61.300 -0.145 0.000 1.382 462 I CB -0.221 37.727 38.000 -0.088 0.000 1.060 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.363 121.437 121.223 -0.248 0.000 2.046 463 L HA -0.229 4.105 4.340 -0.011 0.000 0.208 463 L C 2.449 179.216 176.870 -0.172 0.000 1.077 463 L CA 1.577 56.297 54.840 -0.201 0.000 0.747 463 L CB -0.575 41.439 42.059 -0.075 0.000 0.896 463 L HN 0.217 nan 8.230 nan 0.000 0.432 464 K N -0.053 120.164 120.400 -0.305 0.000 2.228 464 K HA -0.088 4.226 4.320 -0.011 0.000 0.202 464 K C 1.986 178.384 176.600 -0.336 0.000 1.051 464 K CA 0.814 56.779 56.287 -0.537 0.000 0.960 464 K CB 0.076 31.992 32.500 -0.973 0.000 0.743 464 K HN 0.281 nan 8.250 nan 0.000 0.458 465 K N 0.112 120.373 120.400 -0.231 0.000 2.262 465 K HA -0.021 4.292 4.320 -0.011 0.000 0.200 465 K C 1.883 178.426 176.600 -0.095 0.000 1.049 465 K CA 1.366 57.569 56.287 -0.140 0.000 0.979 465 K CB 0.440 32.868 32.500 -0.121 0.000 0.773 465 K HN 0.250 nan 8.250 nan 0.000 0.474 466 T N -1.335 113.153 114.554 -0.110 0.000 3.257 466 T HA 0.072 4.416 4.350 -0.011 0.000 0.176 466 T C 1.888 176.533 174.700 -0.092 0.000 0.892 466 T CA -0.047 61.998 62.100 -0.091 0.000 1.147 466 T CB -0.743 68.066 68.868 -0.099 0.000 1.840 466 T HN 0.095 nan 8.240 nan 0.000 0.375 467 I N -0.869 119.581 120.570 -0.200 0.000 2.454 467 I HA 0.199 4.363 4.170 -0.011 0.000 0.254 467 I C 1.452 177.485 176.117 -0.139 0.000 1.156 467 I CA 1.421 62.554 61.300 -0.277 0.000 1.433 467 I CB -0.640 37.034 38.000 -0.543 0.000 1.082 467 I HN 0.251 nan 8.210 nan 0.000 0.432 468 F N 0.770 120.787 119.950 0.111 0.000 2.735 468 F HA 0.332 4.852 4.527 -0.011 0.000 0.304 468 F C 2.015 177.897 175.800 0.136 0.000 1.119 468 F CA -0.629 57.503 58.000 0.220 0.000 1.280 468 F CB 0.158 39.286 39.000 0.215 0.000 0.994 468 F HN -0.107 nan 8.300 nan 0.000 0.520 469 K N 1.101 121.607 120.400 0.176 0.000 2.059 469 K HA -0.229 4.085 4.320 -0.011 0.000 0.212 469 K C 1.373 178.027 176.600 0.090 0.000 1.050 469 K CA 2.274 58.610 56.287 0.081 0.000 0.927 469 K CB -0.027 32.487 32.500 0.022 0.000 0.714 469 K HN 0.155 nan 8.250 nan 0.000 0.447 470 D N -0.212 120.220 120.400 0.054 0.000 2.123 470 D HA -0.166 4.468 4.640 -0.011 0.000 0.196 470 D C 1.826 178.041 176.300 -0.141 0.000 0.992 470 D CA 1.277 55.184 54.000 -0.155 0.000 0.833 470 D CB -0.297 40.318 40.800 -0.308 0.000 0.954 470 D HN 0.249 nan 8.370 nan 0.000 0.455 471 F N -0.169 119.854 119.950 0.121 0.000 2.186 471 F HA -0.140 4.381 4.527 -0.011 0.000 0.299 471 F C 2.360 178.296 175.800 0.227 0.000 1.090 471 F CA 0.514 58.664 58.000 0.249 0.000 1.307 471 F CB -0.680 38.543 39.000 0.372 0.000 1.019 471 F HN -0.039 nan 8.300 nan 0.000 0.489 472 Y N 1.377 121.635 120.300 -0.070 0.000 2.181 472 Y HA -0.209 4.335 4.550 -0.011 0.000 0.288 472 Y C 2.142 178.018 175.900 -0.040 0.000 1.146 472 Y CA 1.664 59.540 58.100 -0.374 0.000 1.164 472 Y CB -0.612 37.456 38.460 -0.654 0.000 0.982 472 Y HN 0.133 nan 8.280 nan 0.000 0.515 473 E N -0.404 119.755 120.200 -0.069 0.000 2.110 473 E HA -0.202 4.142 4.350 -0.011 0.000 0.193 473 E C 2.005 178.666 176.600 0.102 0.000 0.988 473 E CA 1.246 57.619 56.400 -0.046 0.000 0.804 473 E CB -0.268 29.437 29.700 0.009 0.000 0.745 473 E HN 0.447 nan 8.360 nan 0.000 0.458 474 L N 0.846 122.164 121.223 0.159 0.000 2.095 474 L HA -0.040 4.293 4.340 -0.011 0.000 0.204 474 L C 0.283 177.238 176.870 0.142 0.000 1.080 474 L CA 1.646 56.617 54.840 0.219 0.000 0.759 474 L CB 0.413 42.593 42.059 0.201 0.000 0.914 474 L HN -0.113 nan 8.230 nan 0.000 0.439 475 E N -0.210 120.067 120.200 0.129 0.000 3.386 475 E HA 0.177 4.520 4.350 -0.011 0.000 0.236 475 E C -1.988 174.539 176.600 -0.121 0.000 1.227 475 E CA -1.224 55.166 56.400 -0.018 0.000 0.970 475 E CB 0.786 30.489 29.700 0.004 0.000 1.343 475 E HN 0.204 nan 8.360 nan 0.000 0.397 476 P HA -0.243 nan 4.420 nan 0.000 0.218 476 P C 1.208 178.578 177.300 0.117 0.000 1.148 476 P CA 1.375 64.367 63.100 -0.180 0.000 0.822 476 P CB -0.060 31.432 31.700 -0.346 0.000 0.784 477 H N 0.023 119.189 119.070 0.159 0.000 2.489 477 H HA 0.024 4.574 4.556 -0.011 0.000 0.293 477 H C 1.744 177.161 175.328 0.148 0.000 1.066 477 H CA 0.938 57.072 56.048 0.142 0.000 1.305 477 H CB -0.621 29.198 29.762 0.094 0.000 1.386 477 H HN 0.161 nan 8.280 nan 0.000 0.551 478 K N 0.278 120.582 120.400 -0.161 0.000 2.217 478 K HA 0.026 4.340 4.320 -0.011 0.000 0.202 478 K C -0.231 176.237 176.600 -0.220 0.000 1.051 478 K CA 0.132 56.305 56.287 -0.190 0.000 0.952 478 K CB 0.137 32.413 32.500 -0.373 0.000 0.736 478 K HN 0.049 nan 8.250 nan 0.000 0.453 479 F N 1.517 121.492 119.950 0.042 0.000 2.411 479 F HA 0.248 4.769 4.527 -0.011 0.000 0.350 479 F C 0.244 176.050 175.800 0.010 0.000 1.114 479 F CA -0.289 57.741 58.000 0.050 0.000 1.135 479 F CB 1.295 40.389 39.000 0.155 0.000 1.120 479 F HN -0.065 nan 8.300 nan 0.000 0.495 480 Q N 1.838 121.672 119.800 0.055 0.000 2.528 480 Q HA 0.343 4.677 4.340 -0.011 0.000 0.289 480 Q C -1.183 174.779 176.000 -0.063 0.000 1.091 480 Q CA -1.243 54.544 55.803 -0.026 0.000 0.797 480 Q CB 3.176 31.844 28.738 -0.117 0.000 1.466 480 Q HN 0.615 nan 8.270 nan 0.000 0.436 481 N N 0.797 119.444 118.700 -0.089 0.000 2.314 481 N HA 0.274 5.008 4.740 -0.011 0.000 0.304 481 N C -1.424 173.988 175.510 -0.163 0.000 1.073 481 N CA -0.388 52.604 53.050 -0.096 0.000 0.822 481 N CB 0.986 39.440 38.487 -0.056 0.000 1.280 481 N HN 0.287 nan 8.380 nan 0.000 0.489 482 K N 2.774 123.077 120.400 -0.160 0.000 2.675 482 K HA 0.182 4.496 4.320 -0.011 0.000 0.224 482 K C -0.929 175.675 176.600 0.007 0.000 1.003 482 K CA -0.496 55.673 56.287 -0.197 0.000 1.034 482 K CB 1.267 33.426 32.500 -0.568 0.000 1.218 482 K HN 0.538 nan 8.250 nan 0.000 0.507 483 T N 2.112 116.689 114.554 0.039 0.000 2.902 483 T HA 0.046 4.389 4.350 -0.011 0.000 0.301 483 T C 0.772 175.598 174.700 0.210 0.000 1.012 483 T CA 0.358 62.533 62.100 0.124 0.000 1.151 483 T CB 0.264 69.207 68.868 0.126 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.629 119.474 118.700 0.243 0.000 2.307 484 N HA 0.384 5.117 4.740 -0.011 0.000 0.230 484 N C 0.480 176.178 175.510 0.313 0.000 1.297 484 N CA -0.150 53.079 53.050 0.297 0.000 0.884 484 N CB 0.393 38.994 38.487 0.190 0.000 1.115 484 N HN 0.754 nan 8.380 nan 0.000 0.436 485 G N -0.541 108.458 108.800 0.332 0.000 2.727 485 G HA2 0.638 4.592 3.960 -0.011 0.000 0.289 485 G HA3 0.638 4.592 3.960 -0.011 0.000 0.289 485 G C -1.355 173.681 174.900 0.228 0.000 1.418 485 G CA -0.735 44.541 45.100 0.293 0.000 0.818 485 G HN 0.596 nan 8.290 nan 0.000 0.486 486 I N -2.405 118.283 120.570 0.197 0.000 2.828 486 I HA 0.724 4.888 4.170 -0.011 0.000 0.302 486 I C -0.207 176.064 176.117 0.257 0.000 1.101 486 I CA -0.961 60.448 61.300 0.181 0.000 1.031 486 I CB 2.439 40.443 38.000 0.007 0.000 1.231 486 I HN 0.480 nan 8.210 nan 0.000 0.427 487 T N 4.138 118.895 114.554 0.340 0.000 2.814 487 T HA 0.358 4.702 4.350 -0.011 0.000 0.297 487 T C -1.474 173.343 174.700 0.196 0.000 0.956 487 T CA -1.564 60.664 62.100 0.214 0.000 1.123 487 T CB 0.762 69.703 68.868 0.122 0.000 0.902 487 T HN 0.629 nan 8.240 nan 0.000 0.528 488 P HA 0.076 nan 4.420 nan 0.000 0.237 488 P C 1.098 178.370 177.300 -0.047 0.000 1.178 488 P CA 0.275 63.414 63.100 0.066 0.000 0.766 488 P CB 0.341 32.067 31.700 0.044 0.000 0.876 489 R N 0.416 120.842 120.500 -0.124 0.000 2.064 489 R HA 0.007 4.340 4.340 -0.011 0.000 0.228 489 R C 2.664 178.848 176.300 -0.194 0.000 1.144 489 R CA 1.545 57.530 56.100 -0.191 0.000 0.932 489 R CB -1.175 29.014 30.300 -0.187 0.000 0.833 489 R HN 0.041 nan 8.270 nan 0.000 0.429 490 R N -0.856 119.474 120.500 -0.283 0.000 2.081 490 R HA -0.124 4.209 4.340 -0.011 0.000 0.235 490 R C 1.039 176.994 176.300 -0.575 0.000 1.131 490 R CA 1.694 57.465 56.100 -0.549 0.000 0.960 490 R CB -0.151 29.620 30.300 -0.881 0.000 0.856 490 R HN 0.298 nan 8.270 nan 0.000 0.436 491 W N -0.483 120.774 121.300 -0.071 0.000 3.353 491 W HA 0.172 4.826 4.660 -0.012 0.000 0.304 491 W C 0.951 177.439 176.519 -0.051 0.000 1.273 491 W CA -0.698 56.603 57.345 -0.073 0.000 1.773 491 W CB 0.462 29.881 29.460 -0.069 0.000 1.095 491 W HN 0.214 nan 8.180 nan 0.000 0.676 492 L N -2.146 119.133 121.223 0.093 0.000 2.692 492 L HA 0.197 4.531 4.340 -0.011 0.000 0.175 492 L C 1.754 178.640 176.870 0.027 0.000 1.112 492 L CA 0.821 55.709 54.840 0.081 0.000 0.908 492 L CB -0.811 41.323 42.059 0.126 0.000 1.672 492 L HN -0.242 nan 8.230 nan 0.000 0.500 493 V N 0.960 120.866 119.914 -0.012 0.000 2.295 493 V HA -0.252 3.861 4.120 -0.011 0.000 0.246 493 V C 2.435 178.501 176.094 -0.047 0.000 1.049 493 V CA 2.387 64.670 62.300 -0.028 0.000 1.024 493 V CB -0.640 31.138 31.823 -0.075 0.000 0.648 493 V HN 0.493 nan 8.190 nan 0.000 0.447 494 L N 0.531 121.696 121.223 -0.097 0.000 2.005 494 L HA -0.189 4.145 4.340 -0.011 0.000 0.207 494 L C 2.521 179.325 176.870 -0.109 0.000 1.072 494 L CA 2.432 57.197 54.840 -0.124 0.000 0.744 494 L CB -0.289 41.644 42.059 -0.209 0.000 0.895 494 L HN 0.648 nan 8.230 nan 0.000 0.433 495 C N -1.739 117.491 119.300 -0.117 0.000 2.563 495 C HA 0.187 4.641 4.460 -0.011 0.000 0.268 495 C C 1.196 176.168 174.990 -0.030 0.000 1.365 495 C CA -0.250 58.717 59.018 -0.084 0.000 1.754 495 C CB -1.041 26.650 27.740 -0.081 0.000 1.932 495 C HN 0.602 nan 8.230 nan 0.000 0.536 496 N N 1.089 119.782 118.700 -0.011 0.000 2.703 496 N HA 0.281 5.015 4.740 -0.011 0.000 0.283 496 N C -1.788 173.732 175.510 0.017 0.000 1.851 496 N CA -1.561 51.495 53.050 0.009 0.000 0.826 496 N CB 0.759 39.260 38.487 0.024 0.000 1.239 496 N HN 0.236 nan 8.380 nan 0.000 0.495 497 P HA -0.041 nan 4.420 nan 0.000 0.218 497 P C 1.406 178.721 177.300 0.025 0.000 1.149 497 P CA 0.895 64.005 63.100 0.016 0.000 0.817 497 P CB 0.243 31.946 31.700 0.004 0.000 0.785 498 G N 0.690 109.500 108.800 0.017 0.000 2.446 498 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.217 498 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.217 498 G C 1.534 176.443 174.900 0.016 0.000 1.168 498 G CA 0.713 45.821 45.100 0.013 0.000 0.771 498 G HN 0.243 nan 8.290 nan 0.000 0.551 499 L N 1.296 122.530 121.223 0.018 0.000 2.056 499 L HA 0.230 4.564 4.340 -0.011 0.000 0.207 499 L C 3.115 180.016 176.870 0.053 0.000 1.078 499 L CA 2.032 56.883 54.840 0.019 0.000 0.749 499 L CB -0.788 41.281 42.059 0.017 0.000 0.901 499 L HN 0.241 nan 8.230 nan 0.000 0.433 500 A N -0.738 122.134 122.820 0.087 0.000 1.917 500 A HA -0.288 4.026 4.320 -0.011 0.000 0.219 500 A C 2.259 179.939 177.584 0.160 0.000 1.182 500 A CA 1.988 54.127 52.037 0.171 0.000 0.633 500 A CB -0.714 18.376 19.000 0.152 0.000 0.819 500 A HN 0.555 nan 8.150 nan 0.000 0.448 501 E N 0.530 120.786 120.200 0.093 0.000 2.047 501 E HA -0.146 4.198 4.350 -0.011 0.000 0.191 501 E C 1.849 178.489 176.600 0.065 0.000 0.987 501 E CA 1.504 57.948 56.400 0.074 0.000 0.799 501 E CB -0.518 29.209 29.700 0.043 0.000 0.752 501 E HN 0.744 nan 8.360 nan 0.000 0.449 502 I N -1.662 118.943 120.570 0.057 0.000 2.361 502 I HA -0.147 4.017 4.170 -0.011 0.000 0.251 502 I C 2.111 178.296 176.117 0.113 0.000 1.133 502 I CA 1.149 62.495 61.300 0.078 0.000 1.413 502 I CB -0.337 37.696 38.000 0.055 0.000 1.073 502 I HN 0.024 nan 8.210 nan 0.000 0.424 503 I N 1.928 122.540 120.570 0.071 0.000 2.233 503 I HA -0.177 3.987 4.170 -0.011 0.000 0.243 503 I C 3.012 179.081 176.117 -0.079 0.000 1.093 503 I CA 1.303 62.566 61.300 -0.061 0.000 1.380 503 I CB -0.499 37.346 38.000 -0.259 0.000 1.067 503 I HN 0.296 nan 8.210 nan 0.000 0.413 504 A N 0.422 123.290 122.820 0.080 0.000 1.972 504 A HA -0.233 4.080 4.320 -0.011 0.000 0.219 504 A C 2.163 179.778 177.584 0.052 0.000 1.169 504 A CA 1.651 53.783 52.037 0.159 0.000 0.635 504 A CB -0.609 18.511 19.000 0.199 0.000 0.810 504 A HN 0.450 nan 8.150 nan 0.000 0.446 505 E N -0.678 119.532 120.200 0.016 0.000 2.160 505 E HA -0.203 4.140 4.350 -0.011 0.000 0.195 505 E C 2.241 178.805 176.600 -0.060 0.000 0.991 505 E CA 1.200 57.595 56.400 -0.010 0.000 0.810 505 E CB -0.062 29.638 29.700 -0.001 0.000 0.742 505 E HN 0.512 nan 8.360 nan 0.000 0.466 506 R N 0.112 120.518 120.500 -0.157 0.000 2.105 506 R HA 0.087 4.420 4.340 -0.011 0.000 0.214 506 R C 2.317 178.542 176.300 -0.126 0.000 1.091 506 R CA 0.856 56.794 56.100 -0.271 0.000 1.007 506 R CB -0.183 29.625 30.300 -0.819 0.000 0.912 506 R HN 0.310 nan 8.270 nan 0.000 0.450 507 I N -2.787 117.723 120.570 -0.101 0.000 4.081 507 I HA 0.430 4.593 4.170 -0.011 0.000 0.333 507 I C 0.445 176.602 176.117 0.067 0.000 1.413 507 I CA 0.056 61.351 61.300 -0.009 0.000 1.110 507 I CB 0.818 38.797 38.000 -0.034 0.000 1.082 507 I HN 0.185 nan 8.210 nan 0.000 0.402 508 G N 2.045 110.893 108.800 0.080 0.000 2.681 508 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.220 508 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.220 508 G C 0.016 175.036 174.900 0.201 0.000 1.353 508 G CA 0.272 45.437 45.100 0.110 0.000 0.872 508 G HN 0.440 nan 8.290 nan 0.000 0.557 509 E N -0.171 120.100 120.200 0.119 0.000 2.476 509 E HA 0.106 4.450 4.350 -0.011 0.000 0.199 509 E C 2.045 178.594 176.600 -0.085 0.000 1.021 509 E CA 0.331 56.746 56.400 0.025 0.000 0.907 509 E CB 0.242 29.949 29.700 0.012 0.000 0.974 509 E HN 0.628 nan 8.360 nan 0.000 0.489 510 E N 0.314 120.532 120.200 0.030 0.000 2.209 510 E HA -0.222 4.121 4.350 -0.011 0.000 0.196 510 E C 1.668 178.259 176.600 -0.014 0.000 0.993 510 E CA 1.166 57.578 56.400 0.019 0.000 0.819 510 E CB -0.174 29.561 29.700 0.058 0.000 0.745 510 E HN 0.484 nan 8.360 nan 0.000 0.477 511 Y N -0.681 119.623 120.300 0.006 0.000 2.403 511 Y HA -0.077 4.467 4.550 -0.009 0.000 0.291 511 Y C 1.770 177.647 175.900 -0.039 0.000 1.143 511 Y CA 0.582 58.677 58.100 -0.008 0.000 1.257 511 Y CB -0.515 37.943 38.460 -0.002 0.000 0.984 511 Y HN -0.061 nan 8.280 nan 0.000 0.550 512 I N 0.960 121.049 120.570 -0.801 0.000 2.454 512 I HA -0.233 3.931 4.170 -0.011 0.000 0.254 512 I C 1.744 177.598 176.117 -0.438 0.000 1.156 512 I CA 1.789 62.667 61.300 -0.703 0.000 1.433 512 I CB -0.369 37.127 38.000 -0.841 0.000 1.082 512 I HN 0.471 nan 8.210 nan 0.000 0.432 513 S N -2.080 113.470 115.700 -0.250 0.000 2.650 513 S HA 0.169 4.632 4.470 -0.011 0.000 0.240 513 S C 0.176 174.759 174.600 -0.029 0.000 1.007 513 S CA -0.462 57.674 58.200 -0.107 0.000 0.984 513 S CB 0.305 63.517 63.200 0.020 0.000 0.910 513 S HN 0.291 nan 8.310 nan 0.000 0.509 514 D N 0.653 121.045 120.400 -0.013 0.000 2.823 514 D HA 0.245 4.879 4.640 -0.011 0.000 0.255 514 D C 0.289 176.630 176.300 0.069 0.000 1.257 514 D CA -0.379 53.638 54.000 0.028 0.000 0.803 514 D CB 0.411 41.232 40.800 0.034 0.000 1.384 514 D HN 0.088 nan 8.370 nan 0.000 0.541 515 L N 1.230 122.494 121.223 0.069 0.000 2.362 515 L HA 0.021 4.354 4.340 -0.011 0.000 0.219 515 L C 1.406 178.327 176.870 0.086 0.000 1.134 515 L CA 1.455 56.366 54.840 0.117 0.000 0.807 515 L CB -0.061 42.061 42.059 0.105 0.000 0.927 515 L HN 0.264 nan 8.230 nan 0.000 0.447 516 D N -0.661 119.766 120.400 0.045 0.000 2.265 516 D HA -0.214 4.419 4.640 -0.011 0.000 0.208 516 D C 1.904 178.224 176.300 0.034 0.000 0.977 516 D CA 0.804 54.817 54.000 0.021 0.000 0.871 516 D CB 0.059 40.859 40.800 -0.000 0.000 0.925 516 D HN 0.554 nan 8.370 nan 0.000 0.485 517 Q N -0.074 119.764 119.800 0.064 0.000 2.364 517 Q HA -0.045 4.289 4.340 -0.011 0.000 0.209 517 Q C 2.261 178.281 176.000 0.033 0.000 0.977 517 Q CA 0.265 56.108 55.803 0.065 0.000 0.885 517 Q CB 0.028 28.834 28.738 0.114 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.163 121.398 121.223 0.020 0.000 2.353 518 L HA -0.178 4.155 4.340 -0.011 0.000 0.220 518 L C 2.256 179.122 176.870 -0.006 0.000 1.133 518 L CA 0.815 55.634 54.840 -0.036 0.000 0.798 518 L CB -0.355 41.691 42.059 -0.022 0.000 0.922 518 L HN 0.199 nan 8.230 nan 0.000 0.445 519 R N 0.345 120.851 120.500 0.009 0.000 2.159 519 R HA -0.170 4.163 4.340 -0.011 0.000 0.237 519 R C 2.070 178.376 176.300 0.010 0.000 1.131 519 R CA 1.010 57.117 56.100 0.011 0.000 0.982 519 R CB -0.175 30.127 30.300 0.004 0.000 0.868 519 R HN 0.404 nan 8.270 nan 0.000 0.453 520 K N 0.551 120.958 120.400 0.011 0.000 2.280 520 K HA -0.103 4.211 4.320 -0.011 0.000 0.202 520 K C 1.807 178.448 176.600 0.069 0.000 1.047 520 K CA 0.856 57.158 56.287 0.025 0.000 0.942 520 K CB -0.054 32.467 32.500 0.036 0.000 0.739 520 K HN 0.228 nan 8.250 nan 0.000 0.457 521 L N 0.537 121.790 121.223 0.050 0.000 2.465 521 L HA -0.121 4.212 4.340 -0.011 0.000 0.224 521 L C 1.798 178.733 176.870 0.109 0.000 1.145 521 L CA -0.006 54.884 54.840 0.083 0.000 0.834 521 L CB -0.245 41.819 42.059 0.009 0.000 0.944 521 L HN 0.102 nan 8.230 nan 0.000 0.451 522 L N 0.108 121.362 121.223 0.051 0.000 2.127 522 L HA -0.182 4.151 4.340 -0.011 0.000 0.211 522 L C 2.717 179.574 176.870 -0.022 0.000 1.089 522 L CA 1.929 56.785 54.840 0.026 0.000 0.757 522 L CB -0.969 41.093 42.059 0.005 0.000 0.899 522 L HN 0.373 nan 8.230 nan 0.000 0.434 523 S N -2.720 112.917 115.700 -0.103 0.000 2.607 523 S HA -0.081 4.383 4.470 -0.011 0.000 0.224 523 S C 1.292 175.631 174.600 -0.435 0.000 0.969 523 S CA 0.250 58.288 58.200 -0.270 0.000 0.927 523 S CB -0.511 62.474 63.200 -0.360 0.000 0.772 523 S HN 0.460 nan 8.310 nan 0.000 0.533 524 Y N -0.233 120.002 120.300 -0.109 0.000 2.531 524 Y HA 0.441 4.989 4.550 -0.003 0.000 0.249 524 Y C 1.950 177.889 175.900 0.066 0.000 1.168 524 Y CA -0.572 57.461 58.100 -0.111 0.000 1.226 524 Y CB 0.130 38.315 38.460 -0.459 0.000 1.177 524 Y HN 0.241 nan 8.280 nan 0.000 0.527 525 V N 0.402 120.409 119.914 0.156 0.000 2.594 525 V HA -0.209 3.905 4.120 -0.011 0.000 0.253 525 V C 1.005 177.170 176.094 0.118 0.000 1.069 525 V CA 2.189 64.581 62.300 0.153 0.000 1.082 525 V CB -0.011 31.863 31.823 0.086 0.000 0.680 525 V HN 0.354 nan 8.190 nan 0.000 0.469 526 D N -0.696 119.753 120.400 0.082 0.000 2.363 526 D HA 0.104 4.737 4.640 -0.011 0.000 0.214 526 D C 0.380 176.729 176.300 0.081 0.000 1.093 526 D CA 0.003 54.040 54.000 0.062 0.000 0.837 526 D CB 0.114 40.928 40.800 0.023 0.000 0.948 526 D HN 0.435 nan 8.370 nan 0.000 0.507 527 D N 1.431 121.916 120.400 0.140 0.000 2.325 527 D HA -0.020 4.613 4.640 -0.011 0.000 0.251 527 D C 1.104 177.511 176.300 0.178 0.000 1.196 527 D CA -0.000 54.105 54.000 0.175 0.000 0.866 527 D CB 1.659 42.636 40.800 0.295 0.000 1.101 527 D HN -0.179 nan 8.370 nan 0.000 0.476 528 E N 3.126 123.396 120.200 0.116 0.000 2.150 528 E HA -0.117 4.226 4.350 -0.011 0.000 0.193 528 E C 1.730 178.384 176.600 0.089 0.000 0.985 528 E CA 1.270 57.721 56.400 0.085 0.000 0.814 528 E CB 0.030 29.763 29.700 0.055 0.000 0.752 528 E HN 0.584 nan 8.360 nan 0.000 0.466 529 A N -0.298 122.591 122.820 0.115 0.000 1.873 529 A HA -0.124 4.190 4.320 -0.011 0.000 0.215 529 A C 2.194 179.861 177.584 0.138 0.000 1.186 529 A CA 1.223 53.324 52.037 0.107 0.000 0.616 529 A CB -0.918 18.147 19.000 0.108 0.000 0.823 529 A HN 0.439 nan 8.150 nan 0.000 0.442 530 F N 0.407 120.371 119.950 0.024 0.000 2.102 530 F HA -0.155 4.366 4.527 -0.010 0.000 0.298 530 F C 2.035 177.839 175.800 0.007 0.000 1.105 530 F CA 1.631 59.629 58.000 -0.002 0.000 1.239 530 F CB -0.126 38.880 39.000 0.010 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.226 120.816 120.570 0.033 0.000 2.151 531 I HA -0.375 3.789 4.170 -0.011 0.000 0.243 531 I C 2.589 178.648 176.117 -0.098 0.000 1.080 531 I CA 1.752 63.020 61.300 -0.055 0.000 1.339 531 I CB -0.499 37.520 38.000 0.030 0.000 1.039 531 I HN 0.100 nan 8.210 nan 0.000 0.409 532 R N 0.761 121.230 120.500 -0.051 0.000 2.081 532 R HA -0.190 4.144 4.340 -0.011 0.000 0.235 532 R C 1.892 178.139 176.300 -0.088 0.000 1.131 532 R CA 1.887 57.956 56.100 -0.052 0.000 0.960 532 R CB -0.120 30.170 30.300 -0.017 0.000 0.856 532 R HN 0.293 nan 8.270 nan 0.000 0.436 533 D N -0.358 119.970 120.400 -0.120 0.000 2.117 533 D HA -0.119 4.515 4.640 -0.011 0.000 0.198 533 D C 1.934 178.104 176.300 -0.216 0.000 0.982 533 D CA 1.182 55.098 54.000 -0.141 0.000 0.828 533 D CB -0.188 40.547 40.800 -0.109 0.000 0.967 533 D HN 0.071 nan 8.370 nan 0.000 0.464 534 V N 1.458 121.144 119.914 -0.378 0.000 2.287 534 V HA -0.259 3.855 4.120 -0.011 0.000 0.248 534 V C 2.512 178.509 176.094 -0.161 0.000 1.053 534 V CA 1.972 64.066 62.300 -0.344 0.000 1.027 534 V CB -0.823 30.715 31.823 -0.475 0.000 0.646 534 V HN 0.196 nan 8.190 nan 0.000 0.447 535 A N -0.585 122.161 122.820 -0.124 0.000 1.969 535 A HA -0.232 4.082 4.320 -0.011 0.000 0.218 535 A C 2.350 179.896 177.584 -0.064 0.000 1.169 535 A CA 2.002 54.000 52.037 -0.065 0.000 0.635 535 A CB -0.450 18.516 19.000 -0.056 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.445 536 K N -0.179 120.179 120.400 -0.070 0.000 2.057 536 K HA -0.083 4.230 4.320 -0.011 0.000 0.206 536 K C 1.812 178.385 176.600 -0.045 0.000 1.050 536 K CA 1.563 57.818 56.287 -0.053 0.000 0.935 536 K CB -0.255 32.216 32.500 -0.048 0.000 0.715 536 K HN 0.221 nan 8.250 nan 0.000 0.439 537 V N 1.736 121.618 119.914 -0.054 0.000 2.343 537 V HA -0.245 3.868 4.120 -0.011 0.000 0.247 537 V C 2.385 178.465 176.094 -0.024 0.000 1.051 537 V CA 2.006 64.284 62.300 -0.037 0.000 1.036 537 V CB -0.464 31.330 31.823 -0.047 0.000 0.654 537 V HN 0.353 nan 8.190 nan 0.000 0.451 538 K N 0.401 120.784 120.400 -0.028 0.000 2.026 538 K HA -0.229 4.084 4.320 -0.011 0.000 0.208 538 K C 2.170 178.744 176.600 -0.043 0.000 1.048 538 K CA 1.798 58.075 56.287 -0.017 0.000 0.929 538 K CB -0.502 32.003 32.500 0.008 0.000 0.713 538 K HN 0.383 nan 8.250 nan 0.000 0.439 539 Q N 0.980 120.747 119.800 -0.054 0.000 2.084 539 Q HA -0.123 4.211 4.340 -0.011 0.000 0.202 539 Q C 1.698 177.678 176.000 -0.033 0.000 0.978 539 Q CA 2.025 57.787 55.803 -0.067 0.000 0.844 539 Q CB -0.091 28.611 28.738 -0.059 0.000 0.898 539 Q HN 0.503 nan 8.270 nan 0.000 0.426 540 E N -0.504 119.688 120.200 -0.013 0.000 2.077 540 E HA -0.174 4.170 4.350 -0.011 0.000 0.193 540 E C 1.747 178.370 176.600 0.039 0.000 0.989 540 E CA 1.048 57.455 56.400 0.012 0.000 0.800 540 E CB -0.089 29.616 29.700 0.008 0.000 0.746 540 E HN 0.409 nan 8.360 nan 0.000 0.452 541 N N 0.962 119.682 118.700 0.033 0.000 2.142 541 N HA -0.125 4.609 4.740 -0.011 0.000 0.186 541 N C 1.522 177.109 175.510 0.128 0.000 1.023 541 N CA 1.029 54.119 53.050 0.067 0.000 0.852 541 N CB -0.095 38.416 38.487 0.040 0.000 0.998 541 N HN 0.131 nan 8.380 nan 0.000 0.424 542 K N 0.598 121.034 120.400 0.060 0.000 2.057 542 K HA 0.010 4.324 4.320 -0.011 0.000 0.207 542 K C 2.105 178.831 176.600 0.210 0.000 1.049 542 K CA 0.653 56.986 56.287 0.077 0.000 0.931 542 K CB -0.160 32.117 32.500 -0.373 0.000 0.714 542 K HN 0.105 nan 8.250 nan 0.000 0.440 543 L N 1.170 122.461 121.223 0.114 0.000 2.046 543 L HA -0.198 4.136 4.340 -0.011 0.000 0.208 543 L C 2.617 179.588 176.870 0.167 0.000 1.077 543 L CA 1.320 56.236 54.840 0.127 0.000 0.747 543 L CB -0.305 41.797 42.059 0.071 0.000 0.896 543 L HN 0.161 nan 8.230 nan 0.000 0.432 544 K N -0.396 120.106 120.400 0.170 0.000 2.057 544 K HA -0.232 4.081 4.320 -0.011 0.000 0.207 544 K C 2.166 178.923 176.600 0.262 0.000 1.049 544 K CA 1.589 57.985 56.287 0.181 0.000 0.931 544 K CB -0.123 32.467 32.500 0.150 0.000 0.714 544 K HN 0.090 nan 8.250 nan 0.000 0.440 545 F N 0.981 121.038 119.950 0.177 0.000 2.206 545 F HA -0.015 4.505 4.527 -0.011 0.000 0.298 545 F C 1.981 177.937 175.800 0.261 0.000 1.090 545 F CA 1.109 59.242 58.000 0.222 0.000 1.323 545 F CB -0.296 38.835 39.000 0.218 0.000 1.028 545 F HN 0.048 nan 8.300 nan 0.000 0.492 546 A N 0.122 123.119 122.820 0.294 0.000 1.972 546 A HA -0.056 4.258 4.320 -0.011 0.000 0.219 546 A C 2.357 179.989 177.584 0.081 0.000 1.169 546 A CA 1.664 53.806 52.037 0.176 0.000 0.635 546 A CB -1.384 17.778 19.000 0.270 0.000 0.810 546 A HN 0.436 nan 8.150 nan 0.000 0.446 547 A N -1.690 121.195 122.820 0.107 0.000 1.929 547 A HA -0.012 4.302 4.320 -0.011 0.000 0.216 547 A C 2.086 179.703 177.584 0.055 0.000 1.176 547 A CA 1.369 53.455 52.037 0.082 0.000 0.628 547 A CB -0.736 18.323 19.000 0.098 0.000 0.816 547 A HN 0.715 nan 8.150 nan 0.000 0.444 548 Y N 0.605 120.863 120.300 -0.071 0.000 2.181 548 Y HA -0.180 4.364 4.550 -0.010 0.000 0.288 548 Y C 1.916 177.740 175.900 -0.127 0.000 1.146 548 Y CA 1.857 59.895 58.100 -0.104 0.000 1.164 548 Y CB -0.204 38.173 38.460 -0.138 0.000 0.982 548 Y HN 0.215 nan 8.280 nan 0.000 0.515 549 L N 0.038 121.123 121.223 -0.230 0.000 2.017 549 L HA -0.215 4.119 4.340 -0.011 0.000 0.208 549 L C 2.453 179.245 176.870 -0.129 0.000 1.073 549 L CA 1.762 56.471 54.840 -0.218 0.000 0.745 549 L CB -0.568 41.342 42.059 -0.249 0.000 0.894 549 L HN 0.302 nan 8.230 nan 0.000 0.432 550 E N -0.200 119.949 120.200 -0.085 0.000 2.077 550 E HA -0.213 4.131 4.350 -0.011 0.000 0.193 550 E C 2.355 178.911 176.600 -0.073 0.000 0.989 550 E CA 1.020 57.398 56.400 -0.038 0.000 0.800 550 E CB 0.037 29.777 29.700 0.066 0.000 0.746 550 E HN 0.426 nan 8.360 nan 0.000 0.452 551 R N 0.564 120.994 120.500 -0.117 0.000 2.061 551 R HA -0.116 4.218 4.340 -0.011 0.000 0.230 551 R C 2.078 178.237 176.300 -0.234 0.000 1.140 551 R CA 1.273 57.289 56.100 -0.140 0.000 0.940 551 R CB -0.059 30.170 30.300 -0.120 0.000 0.839 551 R HN -0.014 nan 8.270 nan 0.000 0.429 552 E N -1.421 118.533 120.200 -0.409 0.000 2.385 552 E HA -0.026 4.318 4.350 -0.011 0.000 0.194 552 E C 0.254 176.386 176.600 -0.779 0.000 1.013 552 E CA 0.739 56.765 56.400 -0.623 0.000 0.866 552 E CB 0.476 29.639 29.700 -0.895 0.000 0.832 552 E HN 0.357 nan 8.360 nan 0.000 0.500 553 Y N -0.805 119.353 120.300 -0.237 0.000 2.610 553 Y HA 0.238 4.781 4.550 -0.011 0.000 0.254 553 Y C 0.011 175.819 175.900 -0.153 0.000 1.110 553 Y CA -0.551 57.450 58.100 -0.164 0.000 1.238 553 Y CB 0.917 39.281 38.460 -0.160 0.000 1.322 553 Y HN -0.277 nan 8.280 nan 0.000 0.547 554 K N 0.362 120.724 120.400 -0.064 0.000 3.016 554 K HA -0.140 4.173 4.320 -0.011 0.000 0.262 554 K C -0.435 175.983 176.600 -0.303 0.000 1.043 554 K CA 0.871 57.083 56.287 -0.125 0.000 0.761 554 K CB -2.421 30.037 32.500 -0.071 0.000 1.230 554 K HN 0.272 nan 8.250 nan 0.000 0.485 555 V N -1.953 117.799 119.914 -0.270 0.000 2.435 555 V HA 0.538 4.652 4.120 -0.011 0.000 0.290 555 V C 0.259 176.157 176.094 -0.328 0.000 1.030 555 V CA -0.901 61.190 62.300 -0.348 0.000 0.881 555 V CB 1.485 33.209 31.823 -0.165 0.000 0.983 555 V HN 0.287 nan 8.190 nan 0.000 0.445 556 H N 5.223 124.285 119.070 -0.013 0.000 2.488 556 H HA 0.798 5.348 4.556 -0.011 0.000 0.322 556 H C -0.036 175.287 175.328 -0.010 0.000 1.078 556 H CA -0.476 55.569 56.048 -0.005 0.000 1.260 556 H CB 1.676 31.440 29.762 0.004 0.000 1.425 556 H HN 0.927 nan 8.280 nan 0.000 0.471 557 I N -0.543 120.099 120.570 0.120 0.000 2.828 557 I HA 0.440 4.604 4.170 -0.011 0.000 0.302 557 I C -0.505 175.695 176.117 0.137 0.000 1.101 557 I CA -1.389 59.963 61.300 0.087 0.000 1.031 557 I CB 2.175 40.188 38.000 0.022 0.000 1.231 557 I HN 0.370 nan 8.210 nan 0.000 0.427 558 N N 4.970 123.751 118.700 0.135 0.000 2.401 558 N HA 0.346 5.079 4.740 -0.011 0.000 0.255 558 N C -1.984 173.672 175.510 0.243 0.000 1.110 558 N CA -2.306 50.831 53.050 0.145 0.000 0.949 558 N CB 0.904 39.449 38.487 0.096 0.000 1.110 558 N HN 0.400 nan 8.380 nan 0.000 0.490 559 P HA 0.076 nan 4.420 nan 0.000 0.237 559 P C -0.091 177.198 177.300 -0.019 0.000 1.178 559 P CA 0.847 64.040 63.100 0.155 0.000 0.766 559 P CB 0.232 31.998 31.700 0.110 0.000 0.876 560 N N -1.017 117.705 118.700 0.036 0.000 2.373 560 N HA -0.006 4.728 4.740 -0.011 0.000 0.181 560 N C 0.448 175.984 175.510 0.044 0.000 1.082 560 N CA -0.047 53.012 53.050 0.014 0.000 0.885 560 N CB 0.009 38.516 38.487 0.033 0.000 0.977 560 N HN 0.129 nan 8.380 nan 0.000 0.462 561 S N 0.294 116.034 115.700 0.068 0.000 2.614 561 S HA 0.163 4.626 4.470 -0.011 0.000 0.265 561 S C 0.085 174.649 174.600 -0.059 0.000 1.303 561 S CA -0.876 57.346 58.200 0.037 0.000 1.000 561 S CB 1.013 64.266 63.200 0.088 0.000 0.935 561 S HN 0.185 nan 8.310 nan 0.000 0.551 562 L N 2.180 123.198 121.223 -0.342 0.000 2.418 562 L HA 0.332 4.665 4.340 -0.011 0.000 0.274 562 L C -0.803 176.046 176.870 -0.035 0.000 1.135 562 L CA -0.417 54.051 54.840 -0.620 0.000 0.870 562 L CB -0.219 41.200 42.059 -1.068 0.000 1.154 562 L HN 0.700 nan 8.230 nan 0.000 0.462 563 F N 4.274 124.089 119.950 -0.224 0.000 2.405 563 F HA 0.109 4.630 4.527 -0.009 0.000 0.358 563 F C 0.389 176.120 175.800 -0.116 0.000 1.151 563 F CA -0.798 57.137 58.000 -0.110 0.000 1.161 563 F CB 0.579 39.559 39.000 -0.032 0.000 1.245 563 F HN 0.512 nan 8.300 nan 0.000 0.545 564 D N 4.801 125.196 120.400 -0.008 0.000 2.373 564 D HA 0.332 4.966 4.640 -0.011 0.000 0.227 564 D C -1.061 175.174 176.300 -0.108 0.000 1.091 564 D CA -0.205 53.749 54.000 -0.076 0.000 0.840 564 D CB 1.440 42.180 40.800 -0.101 0.000 1.060 564 D HN 0.113 nan 8.370 nan 0.000 0.502 565 V N 4.535 124.366 119.914 -0.139 0.000 2.487 565 V HA 0.374 4.488 4.120 -0.011 0.000 0.298 565 V C -0.222 175.716 176.094 -0.261 0.000 1.028 565 V CA -0.828 61.373 62.300 -0.165 0.000 0.860 565 V CB 1.698 33.493 31.823 -0.046 0.000 0.991 565 V HN 0.523 nan 8.190 nan 0.000 0.427 566 Q N 3.947 123.612 119.800 -0.225 0.000 2.394 566 Q HA 0.645 4.979 4.340 -0.011 0.000 0.261 566 Q C -1.339 174.492 176.000 -0.282 0.000 1.023 566 Q CA -0.469 55.188 55.803 -0.244 0.000 0.720 566 Q CB 1.885 30.509 28.738 -0.190 0.000 1.241 566 Q HN 0.797 nan 8.270 nan 0.000 0.483 567 V N 1.608 121.340 119.914 -0.304 0.000 2.444 567 V HA 0.865 4.979 4.120 -0.011 0.000 0.294 567 V C -0.969 174.847 176.094 -0.463 0.000 1.022 567 V CA -0.559 61.379 62.300 -0.604 0.000 0.850 567 V CB 1.168 32.389 31.823 -1.004 0.000 0.992 567 V HN 0.825 nan 8.190 nan 0.000 0.426 568 K N 2.557 122.728 120.400 -0.383 0.000 3.040 568 K HA 0.441 4.754 4.320 -0.011 0.000 0.300 568 K C -1.229 175.363 176.600 -0.014 0.000 1.092 568 K CA -1.206 55.035 56.287 -0.078 0.000 0.831 568 K CB 0.858 33.303 32.500 -0.092 0.000 1.469 568 K HN 0.442 nan 8.250 nan 0.000 0.365 569 R N 0.945 121.485 120.500 0.067 0.000 2.698 569 R HA 0.149 4.483 4.340 -0.011 0.000 0.266 569 R C 0.318 176.637 176.300 0.031 0.000 1.026 569 R CA -0.307 55.849 56.100 0.093 0.000 1.102 569 R CB -0.130 30.253 30.300 0.139 0.000 0.978 569 R HN 0.481 nan 8.270 nan 0.000 0.436 570 I N 3.556 124.156 120.570 0.050 0.000 2.436 570 I HA 0.111 4.275 4.170 -0.011 0.000 0.289 570 I C 0.470 176.565 176.117 -0.036 0.000 1.083 570 I CA 0.328 61.611 61.300 -0.028 0.000 1.372 570 I CB -0.445 37.527 38.000 -0.046 0.000 1.408 570 I HN 0.515 nan 8.210 nan 0.000 0.516 571 H N 3.377 122.339 119.070 -0.181 0.000 2.996 571 H HA 0.234 4.784 4.556 -0.011 0.000 0.368 571 H C 0.664 175.864 175.328 -0.213 0.000 1.185 571 H CA -0.456 55.525 56.048 -0.112 0.000 1.160 571 H CB 1.925 31.636 29.762 -0.085 0.000 1.820 571 H HN 0.571 nan 8.280 nan 0.000 0.547 572 E N 1.765 121.987 120.200 0.037 0.000 2.118 572 E HA -0.285 4.058 4.350 -0.011 0.000 0.195 572 E C 1.221 177.629 176.600 -0.320 0.000 0.992 572 E CA 1.781 58.184 56.400 0.006 0.000 0.804 572 E CB -0.064 29.798 29.700 0.269 0.000 0.741 572 E HN 0.643 nan 8.360 nan 0.000 0.458 573 Y N 0.801 120.711 120.300 -0.649 0.000 2.352 573 Y HA -0.037 4.507 4.550 -0.011 0.000 0.292 573 Y C 1.529 177.173 175.900 -0.426 0.000 1.136 573 Y CA 0.893 58.341 58.100 -1.086 0.000 1.227 573 Y CB -0.118 37.702 38.460 -1.067 0.000 0.991 573 Y HN -0.206 nan 8.280 nan 0.000 0.545 574 K N 0.683 120.625 120.400 -0.762 0.000 2.432 574 K HA 0.068 4.382 4.320 -0.011 0.000 0.196 574 K C 0.164 176.595 176.600 -0.282 0.000 1.038 574 K CA 0.524 56.481 56.287 -0.549 0.000 0.986 574 K CB -0.035 32.123 32.500 -0.571 0.000 0.782 574 K HN 0.254 nan 8.250 nan 0.000 0.485 575 R N 0.335 120.699 120.500 -0.227 0.000 3.422 575 R HA -0.236 4.097 4.340 -0.011 0.000 0.267 575 R C 0.302 176.521 176.300 -0.134 0.000 1.074 575 R CA 0.256 56.272 56.100 -0.140 0.000 0.718 575 R CB -1.966 28.269 30.300 -0.108 0.000 1.157 575 R HN 0.300 nan 8.270 nan 0.000 0.440 576 Q N 0.365 120.083 119.800 -0.136 0.000 2.248 576 Q HA -0.107 4.226 4.340 -0.011 0.000 0.208 576 Q C 2.038 177.986 176.000 -0.086 0.000 0.984 576 Q CA 1.643 57.380 55.803 -0.110 0.000 0.875 576 Q CB -0.040 28.636 28.738 -0.103 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.670 120.505 121.223 -0.079 0.000 2.083 577 L HA -0.181 4.153 4.340 -0.011 0.000 0.209 577 L C 2.035 178.901 176.870 -0.006 0.000 1.083 577 L CA 0.545 55.353 54.840 -0.053 0.000 0.752 577 L CB -0.344 41.695 42.059 -0.034 0.000 0.899 577 L HN 0.308 nan 8.230 nan 0.000 0.433 578 L N 0.042 121.253 121.223 -0.020 0.000 2.046 578 L HA -0.242 4.092 4.340 -0.011 0.000 0.208 578 L C 2.033 178.943 176.870 0.067 0.000 1.077 578 L CA 1.911 56.745 54.840 -0.009 0.000 0.747 578 L CB -0.810 41.137 42.059 -0.187 0.000 0.896 578 L HN 0.278 nan 8.230 nan 0.000 0.432 579 N N -1.613 117.096 118.700 0.015 0.000 2.069 579 N HA -0.252 4.482 4.740 -0.011 0.000 0.191 579 N C 1.963 177.548 175.510 0.125 0.000 1.031 579 N CA 1.767 54.905 53.050 0.147 0.000 0.852 579 N CB -0.165 38.342 38.487 0.032 0.000 1.018 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.566 119.875 119.300 0.016 0.000 2.401 580 C HA -0.109 4.344 4.460 -0.011 0.000 0.276 580 C C 2.588 177.565 174.990 -0.023 0.000 1.233 580 C CA 0.472 59.454 59.018 -0.060 0.000 1.753 580 C CB -1.291 26.362 27.740 -0.145 0.000 2.029 580 C HN 0.502 nan 8.230 nan 0.000 0.478 581 L N -0.533 120.739 121.223 0.080 0.000 2.083 581 L HA -0.186 4.148 4.340 -0.011 0.000 0.209 581 L C 2.757 179.776 176.870 0.248 0.000 1.083 581 L CA 1.765 56.698 54.840 0.156 0.000 0.752 581 L CB -1.030 41.180 42.059 0.252 0.000 0.899 581 L HN 0.584 nan 8.230 nan 0.000 0.433 582 H N -0.042 119.134 119.070 0.177 0.000 2.357 582 H HA -0.132 4.418 4.556 -0.011 0.000 0.301 582 H C 2.247 177.565 175.328 -0.016 0.000 1.082 582 H CA 1.833 57.904 56.048 0.039 0.000 1.342 582 H CB 0.331 30.043 29.762 -0.083 0.000 1.389 582 H HN 0.086 nan 8.280 nan 0.000 0.511 583 V N 1.638 121.468 119.914 -0.140 0.000 2.282 583 V HA -0.297 3.817 4.120 -0.011 0.000 0.249 583 V C 2.836 178.859 176.094 -0.118 0.000 1.057 583 V CA 2.053 64.236 62.300 -0.195 0.000 1.032 583 V CB -0.554 31.197 31.823 -0.120 0.000 0.645 583 V HN 0.392 nan 8.190 nan 0.000 0.447 584 I N -0.215 120.321 120.570 -0.056 0.000 2.286 584 I HA -0.229 3.935 4.170 -0.011 0.000 0.248 584 I C 2.514 178.686 176.117 0.091 0.000 1.115 584 I CA 1.771 63.106 61.300 0.059 0.000 1.392 584 I CB -0.750 37.260 38.000 0.016 0.000 1.065 584 I HN 0.332 nan 8.210 nan 0.000 0.418 585 T N 1.257 115.826 114.554 0.025 0.000 2.684 585 T HA -0.173 4.171 4.350 -0.011 0.000 0.267 585 T C 1.879 176.537 174.700 -0.069 0.000 1.036 585 T CA 1.294 63.402 62.100 0.012 0.000 1.148 585 T CB -0.293 68.613 68.868 0.063 0.000 0.863 585 T HN 0.080 nan 8.240 nan 0.000 0.436 586 L N 0.065 121.177 121.223 -0.186 0.000 2.042 586 L HA -0.022 4.312 4.340 -0.011 0.000 0.210 586 L C 2.106 178.937 176.870 -0.065 0.000 1.076 586 L CA 1.560 56.285 54.840 -0.191 0.000 0.749 586 L CB -1.111 40.755 42.059 -0.323 0.000 0.893 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.261 120.497 120.300 -0.107 0.000 2.145 587 Y HA -0.293 4.250 4.550 -0.011 0.000 0.286 587 Y C 2.432 178.314 175.900 -0.030 0.000 1.145 587 Y CA 1.868 59.945 58.100 -0.039 0.000 1.148 587 Y CB -0.097 38.385 38.460 0.037 0.000 0.981 587 Y HN 0.279 nan 8.280 nan 0.000 0.507 588 N N 0.433 119.090 118.700 -0.071 0.000 2.166 588 N HA -0.138 4.596 4.740 -0.011 0.000 0.186 588 N C 1.805 177.208 175.510 -0.179 0.000 1.019 588 N CA 1.455 54.402 53.050 -0.171 0.000 0.856 588 N CB -0.340 38.110 38.487 -0.061 0.000 0.993 588 N HN 0.449 nan 8.380 nan 0.000 0.426 589 R N 0.281 120.701 120.500 -0.133 0.000 2.090 589 R HA 0.108 4.441 4.340 -0.011 0.000 0.228 589 R C 2.185 178.402 176.300 -0.138 0.000 1.110 589 R CA 0.642 56.671 56.100 -0.118 0.000 0.973 589 R CB -0.186 30.055 30.300 -0.097 0.000 0.869 589 R HN 0.228 nan 8.270 nan 0.000 0.440 590 I N 0.961 121.429 120.570 -0.170 0.000 2.179 590 I HA -0.270 3.894 4.170 -0.011 0.000 0.242 590 I C 2.104 178.105 176.117 -0.193 0.000 1.088 590 I CA 1.236 62.434 61.300 -0.169 0.000 1.357 590 I CB -0.145 37.758 38.000 -0.161 0.000 1.051 590 I HN 0.018 nan 8.210 nan 0.000 0.409 591 K N 0.782 121.004 120.400 -0.298 0.000 2.211 591 K HA -0.188 4.125 4.320 -0.011 0.000 0.203 591 K C 2.015 178.515 176.600 -0.167 0.000 1.050 591 K CA 1.079 57.202 56.287 -0.274 0.000 0.945 591 K CB -0.244 32.006 32.500 -0.417 0.000 0.732 591 K HN 0.328 nan 8.250 nan 0.000 0.451 592 K N 1.166 121.475 120.400 -0.150 0.000 2.076 592 K HA -0.075 4.238 4.320 -0.011 0.000 0.204 592 K C 0.026 176.579 176.600 -0.078 0.000 1.051 592 K CA 1.033 57.258 56.287 -0.103 0.000 0.949 592 K CB 0.352 32.796 32.500 -0.093 0.000 0.726 592 K HN 0.042 nan 8.250 nan 0.000 0.443 593 E N 0.187 120.339 120.200 -0.080 0.000 3.108 593 E HA 0.122 4.465 4.350 -0.011 0.000 0.228 593 E C -2.319 174.246 176.600 -0.058 0.000 1.176 593 E CA -1.629 54.737 56.400 -0.057 0.000 0.881 593 E CB 1.724 31.397 29.700 -0.045 0.000 1.354 593 E HN 0.136 nan 8.360 nan 0.000 0.400 594 P HA -0.102 nan 4.420 nan 0.000 0.220 594 P C 0.243 177.525 177.300 -0.029 0.000 1.148 594 P CA 1.095 64.163 63.100 -0.053 0.000 0.803 594 P CB 0.232 31.905 31.700 -0.046 0.000 0.782 595 N N -1.269 117.422 118.700 -0.015 0.000 2.268 595 N HA 0.016 4.749 4.740 -0.011 0.000 0.204 595 N C 0.541 176.067 175.510 0.026 0.000 1.124 595 N CA -0.111 52.944 53.050 0.007 0.000 0.838 595 N CB 0.125 38.615 38.487 0.006 0.000 0.994 595 N HN -0.016 nan 8.380 nan 0.000 0.489 596 K N 1.239 121.648 120.400 0.015 0.000 2.172 596 K HA 0.126 4.439 4.320 -0.011 0.000 0.276 596 K C -0.922 175.717 176.600 0.064 0.000 1.013 596 K CA -0.513 55.798 56.287 0.041 0.000 0.913 596 K CB 0.592 33.097 32.500 0.008 0.000 1.055 596 K HN -0.052 nan 8.250 nan 0.000 0.461 597 F N 4.810 124.747 119.950 -0.023 0.000 2.456 597 F HA 0.204 4.724 4.527 -0.011 0.000 0.358 597 F C -0.373 175.411 175.800 -0.025 0.000 1.095 597 F CA -0.163 57.824 58.000 -0.021 0.000 1.216 597 F CB 0.623 39.614 39.000 -0.016 0.000 1.125 597 F HN 0.191 nan 8.300 nan 0.000 0.549 598 V N 4.257 123.633 119.914 -0.897 0.000 2.876 598 V HA 0.546 4.659 4.120 -0.011 0.000 0.312 598 V C -0.708 174.773 176.094 -1.021 0.000 1.085 598 V CA -1.225 60.646 62.300 -0.714 0.000 0.945 598 V CB 1.008 32.618 31.823 -0.355 0.000 1.017 598 V HN 0.582 nan 8.190 nan 0.000 0.428 599 V N 4.711 124.292 119.914 -0.555 0.000 2.493 599 V HA 0.184 4.298 4.120 -0.011 0.000 0.292 599 V C -1.842 174.079 176.094 -0.289 0.000 1.016 599 V CA -0.378 61.733 62.300 -0.314 0.000 1.097 599 V CB 0.298 32.061 31.823 -0.101 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.354 nan 4.420 nan 0.000 0.271 600 P C -0.416 176.787 177.300 -0.162 0.000 1.216 600 P CA -0.130 62.872 63.100 -0.164 0.000 0.771 600 P CB 0.572 32.224 31.700 -0.081 0.000 0.864 601 R N 1.159 121.576 120.500 -0.138 0.000 2.686 601 R HA 0.557 4.891 4.340 -0.011 0.000 0.286 601 R C -0.697 175.557 176.300 -0.076 0.000 0.969 601 R CA -0.628 55.393 56.100 -0.131 0.000 0.898 601 R CB 1.931 32.138 30.300 -0.155 0.000 1.183 601 R HN 0.312 nan 8.270 nan 0.000 0.456 602 T N 2.150 116.676 114.554 -0.047 0.000 2.788 602 T HA 0.244 4.588 4.350 -0.011 0.000 0.296 602 T C -0.253 174.357 174.700 -0.151 0.000 1.009 602 T CA -0.486 61.545 62.100 -0.114 0.000 0.949 602 T CB 1.150 69.890 68.868 -0.215 0.000 0.946 602 T HN 0.138 nan 8.240 nan 0.000 0.453 603 V N 5.839 125.672 119.914 -0.135 0.000 2.364 603 V HA 0.421 4.534 4.120 -0.011 0.000 0.272 603 V C 0.056 176.065 176.094 -0.141 0.000 1.036 603 V CA -0.429 61.796 62.300 -0.125 0.000 0.880 603 V CB 0.726 32.490 31.823 -0.098 0.000 0.991 603 V HN 0.860 nan 8.190 nan 0.000 0.460 604 M N 6.573 126.078 119.600 -0.157 0.000 2.243 604 M HA 0.613 5.087 4.480 -0.011 0.000 0.324 604 M C -1.020 175.167 176.300 -0.189 0.000 1.031 604 M CA -0.162 55.035 55.300 -0.172 0.000 0.949 604 M CB 1.996 34.488 32.600 -0.180 0.000 1.615 604 M HN 0.433 nan 8.290 nan 0.000 0.430 605 I N 1.977 122.418 120.570 -0.215 0.000 2.498 605 I HA 0.798 4.962 4.170 -0.011 0.000 0.290 605 I C 0.077 175.873 176.117 -0.535 0.000 1.032 605 I CA -0.641 60.505 61.300 -0.256 0.000 1.073 605 I CB 2.245 40.183 38.000 -0.104 0.000 1.251 605 I HN 0.784 nan 8.210 nan 0.000 0.426 606 G N 3.002 111.451 108.800 -0.585 0.000 2.660 606 G HA2 0.855 4.808 3.960 -0.011 0.000 0.294 606 G HA3 0.855 4.808 3.960 -0.011 0.000 0.294 606 G C -0.967 173.640 174.900 -0.487 0.000 1.369 606 G CA -0.860 43.753 45.100 -0.812 0.000 0.912 606 G HN 0.984 nan 8.290 nan 0.000 0.479 607 G N -0.398 108.263 108.800 -0.233 0.000 2.352 607 G HA2 0.390 4.344 3.960 -0.011 0.000 0.303 607 G HA3 0.390 4.344 3.960 -0.011 0.000 0.303 607 G C -1.272 173.764 174.900 0.227 0.000 1.593 607 G CA -1.040 44.095 45.100 0.058 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N -0.040 120.491 120.400 0.219 0.000 2.118 608 K HA 0.737 5.050 4.320 -0.011 0.000 0.267 608 K C 0.319 177.069 176.600 0.250 0.000 0.991 608 K CA -0.150 56.289 56.287 0.254 0.000 0.916 608 K CB 1.968 34.525 32.500 0.095 0.000 1.041 608 K HN 0.863 nan 8.250 nan 0.000 0.455 609 A N 1.516 124.514 122.820 0.297 0.000 2.312 609 A HA 0.619 4.932 4.320 -0.011 0.000 0.326 609 A C -0.407 177.371 177.584 0.324 0.000 1.172 609 A CA -0.724 51.435 52.037 0.204 0.000 0.821 609 A CB 0.965 19.999 19.000 0.057 0.000 1.166 609 A HN 0.783 nan 8.150 nan 0.000 0.493 610 A N 3.580 126.578 122.820 0.298 0.000 2.546 610 A HA 0.448 4.762 4.320 -0.011 0.000 0.243 610 A C -1.395 176.283 177.584 0.158 0.000 1.063 610 A CA -0.731 51.477 52.037 0.285 0.000 0.757 610 A CB -0.375 18.778 19.000 0.255 0.000 0.991 610 A HN 0.597 nan 8.150 nan 0.000 0.503 611 P HA -0.128 nan 4.420 nan 0.000 0.218 611 P C 1.229 178.524 177.300 -0.009 0.000 1.146 611 P CA 1.939 64.987 63.100 -0.087 0.000 0.813 611 P CB 0.225 31.817 31.700 -0.181 0.000 0.778 612 G N -3.041 105.779 108.800 0.033 0.000 3.337 612 G HA2 -0.041 3.912 3.960 -0.011 0.000 0.246 612 G HA3 -0.041 3.912 3.960 -0.011 0.000 0.246 612 G C -0.364 174.575 174.900 0.065 0.000 1.131 612 G CA -0.083 45.035 45.100 0.031 0.000 0.773 612 G HN 0.301 nan 8.290 nan 0.000 0.544 613 Y N 1.515 121.772 120.300 -0.071 0.000 2.676 613 Y HA 0.225 4.768 4.550 -0.011 0.000 0.338 613 Y C 1.569 177.460 175.900 -0.015 0.000 1.057 613 Y CA -1.095 56.945 58.100 -0.101 0.000 1.314 613 Y CB 0.208 38.578 38.460 -0.149 0.000 1.164 613 Y HN 0.306 nan 8.280 nan 0.000 0.509 614 H N 4.153 123.348 119.070 0.208 0.000 2.319 614 H HA -0.217 4.332 4.556 -0.011 0.000 0.299 614 H C 1.777 177.143 175.328 0.065 0.000 1.092 614 H CA 2.353 58.467 56.048 0.110 0.000 1.302 614 H CB 0.394 30.212 29.762 0.094 0.000 1.373 614 H HN 0.730 nan 8.280 nan 0.000 0.497 615 M N 1.022 120.640 119.600 0.029 0.000 2.117 615 M HA -0.078 4.395 4.480 -0.011 0.000 0.262 615 M C 2.565 178.637 176.300 -0.380 0.000 1.065 615 M CA 1.834 57.055 55.300 -0.131 0.000 1.114 615 M CB -0.738 31.916 32.600 0.091 0.000 1.361 615 M HN 0.338 nan 8.290 nan 0.000 0.408 616 A N -0.440 121.907 122.820 -0.788 0.000 1.933 616 A HA -0.205 4.109 4.320 -0.011 0.000 0.218 616 A C 2.204 179.586 177.584 -0.337 0.000 1.175 616 A CA 1.937 53.539 52.037 -0.725 0.000 0.628 616 A CB -0.660 17.699 19.000 -1.068 0.000 0.814 616 A HN 0.591 nan 8.150 nan 0.000 0.444 617 K N -1.193 119.064 120.400 -0.238 0.000 2.155 617 K HA -0.028 4.286 4.320 -0.011 0.000 0.203 617 K C 1.936 178.480 176.600 -0.094 0.000 1.052 617 K CA 1.197 57.428 56.287 -0.092 0.000 0.948 617 K CB -0.192 32.321 32.500 0.021 0.000 0.728 617 K HN 0.338 nan 8.250 nan 0.000 0.448 618 M N 0.502 119.998 119.600 -0.172 0.000 2.229 618 M HA -0.086 4.388 4.480 -0.011 0.000 0.264 618 M C 2.083 178.314 176.300 -0.116 0.000 1.063 618 M CA 1.425 56.658 55.300 -0.112 0.000 1.114 618 M CB -0.604 31.917 32.600 -0.132 0.000 1.387 618 M HN 0.128 nan 8.290 nan 0.000 0.420 619 I N -0.164 120.303 120.570 -0.173 0.000 2.252 619 I HA -0.295 3.869 4.170 -0.011 0.000 0.245 619 I C 2.286 178.272 176.117 -0.218 0.000 1.102 619 I CA 1.026 62.215 61.300 -0.185 0.000 1.385 619 I CB -0.321 37.569 38.000 -0.183 0.000 1.064 619 I HN 0.164 nan 8.210 nan 0.000 0.414 620 I N 0.709 121.131 120.570 -0.247 0.000 2.163 620 I HA -0.324 3.840 4.170 -0.011 0.000 0.243 620 I C 2.612 178.445 176.117 -0.474 0.000 1.085 620 I CA 1.332 62.389 61.300 -0.405 0.000 1.347 620 I CB -0.355 37.382 38.000 -0.438 0.000 1.044 620 I HN 0.170 nan 8.210 nan 0.000 0.408 621 K N 1.545 121.678 120.400 -0.444 0.000 2.057 621 K HA -0.156 4.157 4.320 -0.011 0.000 0.207 621 K C 2.052 178.494 176.600 -0.263 0.000 1.049 621 K CA 1.511 57.461 56.287 -0.562 0.000 0.931 621 K CB -0.605 31.287 32.500 -1.015 0.000 0.714 621 K HN 0.228 nan 8.250 nan 0.000 0.440 622 L N 0.393 121.496 121.223 -0.201 0.000 2.012 622 L HA -0.197 4.137 4.340 -0.011 0.000 0.210 622 L C 2.215 178.850 176.870 -0.393 0.000 1.073 622 L CA 1.802 56.351 54.840 -0.485 0.000 0.748 622 L CB -0.308 41.380 42.059 -0.617 0.000 0.891 622 L HN 0.279 nan 8.230 nan 0.000 0.431 623 I N -0.273 120.118 120.570 -0.298 0.000 2.163 623 I HA -0.335 3.828 4.170 -0.011 0.000 0.243 623 I C 2.634 178.643 176.117 -0.180 0.000 1.085 623 I CA 1.941 63.117 61.300 -0.208 0.000 1.347 623 I CB -0.592 37.364 38.000 -0.073 0.000 1.044 623 I HN 0.428 nan 8.210 nan 0.000 0.408 624 T N -0.818 113.604 114.554 -0.221 0.000 2.821 624 T HA -0.078 4.266 4.350 -0.011 0.000 0.267 624 T C 1.981 176.613 174.700 -0.114 0.000 1.046 624 T CA 0.947 62.947 62.100 -0.167 0.000 1.139 624 T CB -0.495 68.231 68.868 -0.236 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.491 124.242 122.820 -0.115 0.000 1.930 625 A HA 0.143 4.457 4.320 -0.011 0.000 0.217 625 A C 2.372 179.967 177.584 0.018 0.000 1.175 625 A CA 1.275 53.313 52.037 0.000 0.000 0.627 625 A CB -0.805 18.288 19.000 0.155 0.000 0.815 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.299 120.178 120.570 -0.155 0.000 2.179 626 I HA -0.189 3.974 4.170 -0.011 0.000 0.242 626 I C 2.733 178.797 176.117 -0.088 0.000 1.088 626 I CA 1.116 62.300 61.300 -0.192 0.000 1.357 626 I CB -0.659 37.100 38.000 -0.401 0.000 1.051 626 I HN 0.384 nan 8.210 nan 0.000 0.409 627 G N 0.490 109.232 108.800 -0.097 0.000 2.469 627 G HA2 -0.280 3.674 3.960 -0.011 0.000 0.219 627 G HA3 -0.280 3.674 3.960 -0.011 0.000 0.219 627 G C 1.283 176.155 174.900 -0.047 0.000 1.150 627 G CA 1.114 46.164 45.100 -0.083 0.000 0.763 627 G HN 0.287 nan 8.290 nan 0.000 0.561 628 D N -0.036 120.378 120.400 0.022 0.000 2.149 628 D HA -0.084 4.550 4.640 -0.011 0.000 0.198 628 D C 2.717 179.112 176.300 0.158 0.000 0.990 628 D CA 0.733 54.813 54.000 0.133 0.000 0.839 628 D CB -0.210 40.640 40.800 0.083 0.000 0.948 628 D HN 0.248 nan 8.370 nan 0.000 0.460 629 V N 0.211 120.153 119.914 0.047 0.000 2.302 629 V HA -0.142 3.972 4.120 -0.011 0.000 0.243 629 V C 2.600 178.636 176.094 -0.097 0.000 1.036 629 V CA 0.813 63.088 62.300 -0.042 0.000 1.020 629 V CB -0.270 31.492 31.823 -0.102 0.000 0.657 629 V HN 0.028 nan 8.190 nan 0.000 0.453 630 V N 0.842 120.645 119.914 -0.185 0.000 2.358 630 V HA -0.182 3.932 4.120 -0.011 0.000 0.246 630 V C 2.125 178.168 176.094 -0.085 0.000 1.047 630 V CA 1.903 64.089 62.300 -0.189 0.000 1.035 630 V CB -0.839 30.867 31.823 -0.194 0.000 0.658 630 V HN 0.557 nan 8.190 nan 0.000 0.452 631 N N -0.364 118.226 118.700 -0.182 0.000 2.512 631 N HA -0.074 4.660 4.740 -0.011 0.000 0.183 631 N C 1.216 176.465 175.510 -0.434 0.000 1.073 631 N CA 0.894 53.749 53.050 -0.326 0.000 0.911 631 N CB -0.229 37.983 38.487 -0.459 0.000 0.964 631 N HN 0.687 nan 8.380 nan 0.000 0.447 632 H N -1.617 117.458 119.070 0.009 0.000 2.784 632 H HA 0.197 4.747 4.556 -0.010 0.000 0.273 632 H C -0.498 174.849 175.328 0.032 0.000 1.112 632 H CA -0.485 55.572 56.048 0.015 0.000 1.162 632 H CB 0.716 30.477 29.762 -0.003 0.000 1.586 632 H HN -0.023 nan 8.280 nan 0.000 0.548 633 D N 1.854 122.332 120.400 0.130 0.000 2.336 633 D HA 0.036 4.669 4.640 -0.011 0.000 0.249 633 D C -1.645 174.717 176.300 0.103 0.000 1.213 633 D CA -1.999 52.089 54.000 0.146 0.000 0.870 633 D CB 1.661 42.621 40.800 0.268 0.000 1.076 633 D HN 0.118 nan 8.370 nan 0.000 0.483 634 P HA -0.099 nan 4.420 nan 0.000 0.220 634 P C 1.558 178.882 177.300 0.040 0.000 1.148 634 P CA 0.304 63.436 63.100 0.054 0.000 0.803 634 P CB 0.450 32.176 31.700 0.044 0.000 0.782 635 V N -0.573 119.365 119.914 0.040 0.000 2.515 635 V HA -0.159 3.955 4.120 -0.011 0.000 0.250 635 V C 2.430 178.529 176.094 0.009 0.000 1.058 635 V CA 1.456 63.765 62.300 0.015 0.000 1.064 635 V CB -0.965 30.856 31.823 -0.003 0.000 0.675 635 V HN -0.021 nan 8.190 nan 0.000 0.461 636 V N -0.113 119.823 119.914 0.038 0.000 2.358 636 V HA 0.080 4.193 4.120 -0.011 0.000 0.246 636 V C 1.834 177.936 176.094 0.014 0.000 1.047 636 V CA 1.616 63.937 62.300 0.034 0.000 1.035 636 V CB -1.250 30.638 31.823 0.108 0.000 0.658 636 V HN 0.731 nan 8.190 nan 0.000 0.452 637 G N 1.562 110.375 108.800 0.022 0.000 2.556 637 G HA2 -0.368 3.586 3.960 -0.011 0.000 0.283 637 G HA3 -0.368 3.586 3.960 -0.011 0.000 0.283 637 G C 0.260 175.165 174.900 0.007 0.000 1.177 637 G CA 0.464 45.573 45.100 0.014 0.000 0.978 637 G HN 0.678 nan 8.290 nan 0.000 0.554 638 D N 0.322 120.724 120.400 0.004 0.000 2.388 638 D HA 0.217 4.851 4.640 -0.011 0.000 0.221 638 D C 1.821 178.112 176.300 -0.015 0.000 1.133 638 D CA 0.106 54.108 54.000 0.003 0.000 0.831 638 D CB -0.028 40.783 40.800 0.017 0.000 0.962 638 D HN 0.588 nan 8.370 nan 0.000 0.502 639 R N -0.686 119.794 120.500 -0.033 0.000 2.200 639 R HA 0.234 4.568 4.340 -0.011 0.000 0.208 639 R C -0.119 176.134 176.300 -0.079 0.000 1.033 639 R CA 0.220 56.275 56.100 -0.075 0.000 1.000 639 R CB 0.336 30.574 30.300 -0.103 0.000 0.906 639 R HN 0.111 nan 8.270 nan 0.000 0.462 640 L N 0.642 121.836 121.223 -0.048 0.000 2.505 640 L HA 0.385 4.718 4.340 -0.011 0.000 0.266 640 L C -1.586 175.256 176.870 -0.046 0.000 0.954 640 L CA -0.479 54.330 54.840 -0.052 0.000 0.852 640 L CB 1.803 43.843 42.059 -0.032 0.000 1.282 640 L HN -0.184 nan 8.230 nan 0.000 0.403 641 R N 3.908 124.367 120.500 -0.067 0.000 2.628 641 R HA 0.774 5.108 4.340 -0.011 0.000 0.288 641 R C -1.636 174.605 176.300 -0.099 0.000 0.980 641 R CA -0.780 55.271 56.100 -0.082 0.000 0.891 641 R CB 2.412 32.666 30.300 -0.076 0.000 1.188 641 R HN 0.415 nan 8.270 nan 0.000 0.450 642 V N 4.918 124.770 119.914 -0.104 0.000 2.407 642 V HA 0.489 4.602 4.120 -0.011 0.000 0.291 642 V C -0.283 175.758 176.094 -0.088 0.000 1.018 642 V CA -0.729 61.511 62.300 -0.101 0.000 0.842 642 V CB 1.576 33.336 31.823 -0.105 0.000 0.996 642 V HN 0.542 nan 8.190 nan 0.000 0.426 643 I N 4.861 125.380 120.570 -0.086 0.000 2.465 643 I HA 0.439 4.603 4.170 -0.011 0.000 0.291 643 I C -0.634 175.462 176.117 -0.035 0.000 1.014 643 I CA -0.338 60.921 61.300 -0.069 0.000 1.093 643 I CB 1.921 39.855 38.000 -0.110 0.000 1.267 643 I HN 0.556 nan 8.210 nan 0.000 0.431 644 F N 7.093 126.969 119.950 -0.123 0.000 2.411 644 F HA 0.454 4.975 4.527 -0.010 0.000 0.355 644 F C -0.495 175.233 175.800 -0.120 0.000 1.117 644 F CA -0.612 57.319 58.000 -0.115 0.000 1.139 644 F CB 0.620 39.558 39.000 -0.103 0.000 1.120 644 F HN 0.164 nan 8.300 nan 0.000 0.493 645 L N 6.190 127.013 121.223 -0.667 0.000 2.342 645 L HA 0.161 4.495 4.340 -0.011 0.000 0.285 645 L C 0.254 176.851 176.870 -0.454 0.000 1.095 645 L CA 0.096 54.664 54.840 -0.454 0.000 0.843 645 L CB 0.086 41.964 42.059 -0.302 0.000 1.201 645 L HN 0.611 nan 8.230 nan 0.000 0.445 646 E N 3.308 123.389 120.200 -0.198 0.000 2.360 646 E HA -0.020 4.323 4.350 -0.011 0.000 0.269 646 E C 0.502 177.169 176.600 0.111 0.000 1.022 646 E CA -0.138 56.302 56.400 0.067 0.000 0.887 646 E CB 0.289 30.042 29.700 0.088 0.000 0.990 646 E HN 0.532 nan 8.360 nan 0.000 0.426 647 N N 2.673 121.495 118.700 0.204 0.000 2.738 647 N HA -0.280 4.454 4.740 -0.011 0.000 0.249 647 N C -1.559 174.050 175.510 0.165 0.000 1.047 647 N CA 0.503 53.669 53.050 0.194 0.000 0.707 647 N CB -1.598 37.018 38.487 0.215 0.000 0.937 647 N HN 0.487 nan 8.380 nan 0.000 0.545 648 Y N 1.594 121.904 120.300 0.017 0.000 2.721 648 Y HA 0.150 4.693 4.550 -0.011 0.000 0.329 648 Y C 1.160 177.081 175.900 0.035 0.000 1.211 648 Y CA 0.734 58.832 58.100 -0.004 0.000 1.512 648 Y CB 0.300 38.723 38.460 -0.062 0.000 1.249 648 Y HN 0.378 nan 8.280 nan 0.000 0.549 649 R N 2.472 122.636 120.500 -0.560 0.000 2.756 649 R HA 0.423 4.757 4.340 -0.011 0.000 0.273 649 R C -0.582 175.400 176.300 -0.530 0.000 1.030 649 R CA -0.583 55.286 56.100 -0.386 0.000 0.887 649 R CB 0.312 30.584 30.300 -0.048 0.000 1.274 649 R HN 0.362 nan 8.270 nan 0.000 0.461 650 V N 1.147 120.787 119.914 -0.457 0.000 2.287 650 V HA -0.289 3.825 4.120 -0.011 0.000 0.248 650 V C 2.622 178.600 176.094 -0.193 0.000 1.053 650 V CA 2.846 64.927 62.300 -0.365 0.000 1.027 650 V CB -0.816 30.743 31.823 -0.440 0.000 0.646 650 V HN 0.924 nan 8.190 nan 0.000 0.447 651 S N 0.123 115.735 115.700 -0.147 0.000 2.383 651 S HA -0.207 4.256 4.470 -0.011 0.000 0.229 651 S C 1.948 176.504 174.600 -0.074 0.000 1.030 651 S CA 1.790 59.929 58.200 -0.101 0.000 1.002 651 S CB -0.583 62.588 63.200 -0.049 0.000 0.829 651 S HN 0.391 nan 8.310 nan 0.000 0.467 652 L N 2.007 123.197 121.223 -0.055 0.000 2.109 652 L HA 0.291 4.624 4.340 -0.011 0.000 0.207 652 L C 2.732 179.633 176.870 0.051 0.000 1.086 652 L CA 1.438 56.294 54.840 0.027 0.000 0.760 652 L CB -1.298 40.836 42.059 0.124 0.000 0.910 652 L HN 0.362 nan 8.230 nan 0.000 0.437 653 A N -0.666 122.153 122.820 -0.001 0.000 1.908 653 A HA -0.261 4.053 4.320 -0.011 0.000 0.218 653 A C 2.137 179.792 177.584 0.119 0.000 1.181 653 A CA 1.961 54.071 52.037 0.121 0.000 0.627 653 A CB -0.651 18.399 19.000 0.085 0.000 0.818 653 A HN 0.606 nan 8.150 nan 0.000 0.445 654 E N -0.494 119.754 120.200 0.080 0.000 2.265 654 E HA -0.166 4.178 4.350 -0.011 0.000 0.196 654 E C 1.908 178.483 176.600 -0.041 0.000 0.996 654 E CA 1.224 57.624 56.400 0.000 0.000 0.832 654 E CB -0.057 29.549 29.700 -0.155 0.000 0.756 654 E HN 0.639 nan 8.360 nan 0.000 0.491 655 K N 0.005 120.372 120.400 -0.055 0.000 2.141 655 K HA 0.025 4.338 4.320 -0.011 0.000 0.202 655 K C 2.138 178.606 176.600 -0.220 0.000 1.045 655 K CA 0.443 56.698 56.287 -0.055 0.000 0.971 655 K CB 0.066 32.546 32.500 -0.034 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.714 121.411 119.914 -0.361 0.000 2.535 656 V HA -0.102 4.011 4.120 -0.011 0.000 0.246 656 V C 1.867 177.731 176.094 -0.383 0.000 1.045 656 V CA 1.121 62.970 62.300 -0.751 0.000 1.058 656 V CB -0.123 31.362 31.823 -0.564 0.000 0.689 656 V HN 0.227 nan 8.190 nan 0.000 0.461 657 I N 0.770 121.168 120.570 -0.287 0.000 2.179 657 I HA -0.127 4.036 4.170 -0.011 0.000 0.242 657 I C -0.237 175.767 176.117 -0.187 0.000 1.088 657 I CA 1.614 62.670 61.300 -0.405 0.000 1.357 657 I CB -1.498 36.120 38.000 -0.637 0.000 1.051 657 I HN 0.362 nan 8.210 nan 0.000 0.409 658 P HA -0.138 nan 4.420 nan 0.000 0.221 658 P C 1.043 178.340 177.300 -0.004 0.000 1.145 658 P CA 1.361 64.440 63.100 -0.035 0.000 0.795 658 P CB 0.008 31.697 31.700 -0.019 0.000 0.775 659 A N -1.145 121.656 122.820 -0.031 0.000 2.218 659 A HA 0.434 4.748 4.320 -0.011 0.000 0.209 659 A C 1.223 178.904 177.584 0.163 0.000 1.168 659 A CA 0.208 52.278 52.037 0.055 0.000 0.804 659 A CB -0.728 18.303 19.000 0.052 0.000 0.834 659 A HN 0.208 nan 8.150 nan 0.000 0.482 660 A N -0.033 122.883 122.820 0.160 0.000 2.388 660 A HA 0.458 4.772 4.320 -0.011 0.000 0.257 660 A C 0.374 178.106 177.584 0.247 0.000 1.095 660 A CA -0.140 52.055 52.037 0.263 0.000 0.791 660 A CB 0.332 19.576 19.000 0.407 0.000 1.029 660 A HN 0.278 nan 8.150 nan 0.000 0.489 661 D N 0.444 120.992 120.400 0.246 0.000 2.338 661 D HA 0.118 4.751 4.640 -0.011 0.000 0.224 661 D C 0.063 176.580 176.300 0.363 0.000 0.967 661 D CA 0.789 54.987 54.000 0.331 0.000 0.896 661 D CB 0.284 41.200 40.800 0.194 0.000 1.028 661 D HN 0.362 nan 8.370 nan 0.000 0.493 662 L N 1.008 122.327 121.223 0.160 0.000 2.381 662 L HA 0.290 4.624 4.340 -0.011 0.000 0.274 662 L C -0.869 175.890 176.870 -0.185 0.000 0.988 662 L CA -0.313 54.546 54.840 0.032 0.000 0.824 662 L CB 2.141 44.194 42.059 -0.009 0.000 1.263 662 L HN -0.187 nan 8.230 nan 0.000 0.410 663 S N 4.191 119.695 115.700 -0.326 0.000 2.429 663 S HA 0.336 4.800 4.470 -0.011 0.000 0.302 663 S C -0.423 173.913 174.600 -0.440 0.000 1.115 663 S CA -0.664 57.105 58.200 -0.718 0.000 1.095 663 S CB 0.667 63.394 63.200 -0.788 0.000 0.987 663 S HN 0.552 nan 8.310 nan 0.000 0.474 664 E N 4.104 124.052 120.200 -0.421 0.000 2.089 664 E HA 0.217 4.560 4.350 -0.011 0.000 0.284 664 E C -0.557 175.930 176.600 -0.187 0.000 1.023 664 E CA -0.414 55.861 56.400 -0.208 0.000 0.819 664 E CB 1.026 30.632 29.700 -0.157 0.000 1.076 664 E HN 0.600 nan 8.360 nan 0.000 0.396 665 Q N 2.814 122.561 119.800 -0.089 0.000 3.064 665 Q HA 0.273 4.607 4.340 -0.011 0.000 0.258 665 Q C 0.585 176.572 176.000 -0.021 0.000 0.972 665 Q CA -0.126 55.637 55.803 -0.067 0.000 0.761 665 Q CB 0.258 28.968 28.738 -0.047 0.000 1.281 665 Q HN 0.615 nan 8.270 nan 0.000 0.455 666 I N -1.801 118.743 120.570 -0.044 0.000 3.569 666 I HA 0.272 4.436 4.170 -0.011 0.000 0.334 666 I C 0.409 176.479 176.117 -0.078 0.000 1.570 666 I CA -0.693 60.596 61.300 -0.018 0.000 1.082 666 I CB 0.524 38.520 38.000 -0.008 0.000 1.323 666 I HN 0.001 nan 8.210 nan 0.000 0.489 667 S N 0.455 116.108 115.700 -0.079 0.000 2.573 667 S HA 0.165 4.628 4.470 -0.011 0.000 0.277 667 S C 0.584 175.168 174.600 -0.026 0.000 1.346 667 S CA -0.244 57.930 58.200 -0.043 0.000 1.034 667 S CB 0.232 63.456 63.200 0.040 0.000 0.879 667 S HN 0.387 nan 8.310 nan 0.000 0.528 668 T N 2.777 117.350 114.554 0.031 0.000 2.902 668 T HA 0.374 4.717 4.350 -0.011 0.000 0.301 668 T C 0.770 175.484 174.700 0.024 0.000 1.012 668 T CA 0.254 62.381 62.100 0.045 0.000 1.151 668 T CB -0.019 68.948 68.868 0.166 0.000 0.946 668 T HN 1.020 nan 8.240 nan 0.000 0.542 669 A N 2.716 125.519 122.820 -0.028 0.000 2.580 669 A HA 0.445 4.758 4.320 -0.011 0.000 0.244 669 A C 1.637 179.218 177.584 -0.006 0.000 1.045 669 A CA 0.290 52.306 52.037 -0.035 0.000 0.761 669 A CB -0.916 18.051 19.000 -0.055 0.000 0.962 669 A HN 1.763 nan 8.150 nan 0.000 0.512 670 G N 1.434 110.230 108.800 -0.008 0.000 2.157 670 G HA2 -0.228 3.725 3.960 -0.011 0.000 0.239 670 G HA3 -0.228 3.725 3.960 -0.011 0.000 0.239 670 G C 0.794 175.686 174.900 -0.012 0.000 0.982 670 G CA 1.145 46.242 45.100 -0.004 0.000 0.650 670 G HN 2.008 nan 8.290 nan 0.000 0.527 671 T N -2.746 111.798 114.554 -0.016 0.000 3.026 671 T HA 0.411 4.755 4.350 -0.011 0.000 0.245 671 T C 0.721 175.272 174.700 -0.248 0.000 1.004 671 T CA 1.000 63.029 62.100 -0.119 0.000 1.069 671 T CB 0.569 69.421 68.868 -0.027 0.000 1.005 671 T HN 0.272 nan 8.240 nan 0.000 0.472 672 E N 1.553 121.737 120.200 -0.026 0.000 2.052 672 E HA 0.665 5.009 4.350 -0.011 0.000 0.283 672 E C 1.158 177.715 176.600 -0.072 0.000 1.071 672 E CA 0.084 56.508 56.400 0.040 0.000 0.851 672 E CB 0.835 30.617 29.700 0.137 0.000 1.066 672 E HN 0.357 nan 8.360 nan 0.000 0.396 673 A N 3.418 126.125 122.820 -0.189 0.000 1.892 673 A HA -0.215 4.098 4.320 -0.011 0.000 0.218 673 A C 1.985 179.452 177.584 -0.194 0.000 1.188 673 A CA 2.266 54.070 52.037 -0.388 0.000 0.631 673 A CB -0.284 18.251 19.000 -0.775 0.000 0.822 673 A HN 0.603 nan 8.150 nan 0.000 0.447 674 S N -3.820 111.820 115.700 -0.100 0.000 3.792 674 S HA 0.456 4.919 4.470 -0.011 0.000 0.229 674 S C 0.705 175.294 174.600 -0.018 0.000 1.118 674 S CA 1.448 59.631 58.200 -0.027 0.000 0.877 674 S CB -0.084 63.122 63.200 0.010 0.000 1.077 674 S HN 2.265 nan 8.310 nan 0.000 0.546 675 G N 0.366 109.160 108.800 -0.010 0.000 2.721 675 G HA2 -0.060 3.893 3.960 -0.011 0.000 0.686 675 G HA3 -0.060 3.893 3.960 -0.011 0.000 0.686 675 G C 0.249 175.128 174.900 -0.035 0.000 1.236 675 G CA 0.459 45.549 45.100 -0.016 0.000 0.786 675 G HN 1.294 nan 8.290 nan 0.000 0.616 676 T N -1.722 112.798 114.554 -0.058 0.000 3.010 676 T HA 0.379 4.723 4.350 -0.011 0.000 0.253 676 T C 2.442 177.042 174.700 -0.168 0.000 0.939 676 T CA 1.296 63.333 62.100 -0.104 0.000 0.910 676 T CB 0.173 68.972 68.868 -0.115 0.000 1.226 676 T HN 1.927 nan 8.240 nan 0.000 0.508 677 G N 3.318 112.043 108.800 -0.125 0.000 2.469 677 G HA2 -0.340 3.614 3.960 -0.011 0.000 0.219 677 G HA3 -0.340 3.614 3.960 -0.011 0.000 0.219 677 G C 1.473 176.425 174.900 0.087 0.000 1.150 677 G CA 1.367 46.422 45.100 -0.074 0.000 0.763 677 G HN 0.846 nan 8.290 nan 0.000 0.561 678 N N -0.053 118.678 118.700 0.053 0.000 2.091 678 N HA -0.130 4.604 4.740 -0.011 0.000 0.193 678 N C 1.458 176.974 175.510 0.009 0.000 1.021 678 N CA 0.780 53.860 53.050 0.049 0.000 0.862 678 N CB -0.358 38.112 38.487 -0.029 0.000 1.018 678 N HN 0.358 nan 8.380 nan 0.000 0.429 682 M N 0.267 119.951 119.600 0.140 0.000 2.117 682 M HA -0.164 4.310 4.480 -0.011 0.000 0.262 682 M C 2.007 178.360 176.300 0.088 0.000 1.065 682 M CA 1.831 57.186 55.300 0.092 0.000 1.114 682 M CB -0.093 32.555 32.600 0.080 0.000 1.361 682 M HN 0.317 nan 8.290 nan 0.000 0.408 683 L N 0.660 121.932 121.223 0.081 0.000 2.275 683 L HA -0.094 4.239 4.340 -0.011 0.000 0.215 683 L C 1.326 178.239 176.870 0.071 0.000 1.119 683 L CA 1.602 56.496 54.840 0.089 0.000 0.790 683 L CB -0.556 41.565 42.059 0.104 0.000 0.919 683 L HN 0.340 nan 8.230 nan 0.000 0.443 684 N N -0.413 118.320 118.700 0.056 0.000 2.214 684 N HA 0.175 4.909 4.740 -0.011 0.000 0.214 684 N C 0.840 176.384 175.510 0.058 0.000 1.132 684 N CA 0.783 53.859 53.050 0.045 0.000 0.856 684 N CB 0.647 39.139 38.487 0.008 0.000 1.020 684 N HN 0.382 nan 8.380 nan 0.000 0.509 685 G N 0.629 109.468 108.800 0.066 0.000 2.142 685 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.225 685 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.225 685 G C -0.005 174.960 174.900 0.109 0.000 1.015 685 G CA 0.118 45.256 45.100 0.064 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.294 122.603 122.820 0.128 0.000 2.312 686 A HA 0.880 5.194 4.320 -0.011 0.000 0.328 686 A C 0.456 178.045 177.584 0.008 0.000 1.158 686 A CA -0.591 51.538 52.037 0.152 0.000 0.821 686 A CB 0.954 20.103 19.000 0.249 0.000 1.170 686 A HN 0.724 nan 8.150 nan 0.000 0.490 687 L N 0.766 121.953 121.223 -0.058 0.000 2.421 687 L HA 0.453 4.786 4.340 -0.011 0.000 0.263 687 L C 0.212 176.959 176.870 -0.206 0.000 1.122 687 L CA -0.346 54.364 54.840 -0.217 0.000 0.804 687 L CB 1.463 43.308 42.059 -0.357 0.000 1.150 687 L HN 0.682 nan 8.230 nan 0.000 0.457 688 T N 2.500 116.806 114.554 -0.413 0.000 2.779 688 T HA 0.453 4.797 4.350 -0.011 0.000 0.280 688 T C -0.409 174.150 174.700 -0.235 0.000 0.987 688 T CA -0.266 61.565 62.100 -0.449 0.000 0.966 688 T CB 1.521 69.921 68.868 -0.780 0.000 0.933 688 T HN 0.345 nan 8.240 nan 0.000 0.442 689 I N 3.074 123.606 120.570 -0.062 0.000 2.321 689 I HA 0.694 4.857 4.170 -0.011 0.000 0.291 689 I C 0.131 176.393 176.117 0.241 0.000 0.998 689 I CA 0.117 61.498 61.300 0.136 0.000 1.227 689 I CB 0.259 38.285 38.000 0.045 0.000 1.368 689 I HN 0.777 nan 8.210 nan 0.000 0.466 690 G N 3.996 113.012 108.800 0.360 0.000 2.646 690 G HA2 0.457 4.411 3.960 -0.011 0.000 0.291 690 G HA3 0.457 4.411 3.960 -0.011 0.000 0.291 690 G C -0.863 173.970 174.900 -0.112 0.000 1.445 690 G CA -0.472 44.747 45.100 0.197 0.000 0.814 690 G HN 0.574 nan 8.290 nan 0.000 0.495 691 T N -1.101 113.249 114.554 -0.340 0.000 2.849 691 T HA 0.467 4.811 4.350 -0.011 0.000 0.284 691 T C 0.823 175.410 174.700 -0.188 0.000 1.004 691 T CA -0.661 61.169 62.100 -0.450 0.000 1.021 691 T CB 1.040 69.658 68.868 -0.417 0.000 1.013 691 T HN 0.257 nan 8.240 nan 0.000 0.527 692 M N 2.830 122.330 119.600 -0.167 0.000 3.442 692 M HA 0.299 4.773 4.480 -0.011 0.000 0.232 692 M C -0.404 175.845 176.300 -0.084 0.000 1.508 692 M CA -0.003 55.235 55.300 -0.104 0.000 1.647 692 M CB -1.856 30.690 32.600 -0.089 0.000 1.126 692 M HN 0.718 nan 8.290 nan 0.000 0.557 693 D N -0.109 120.247 120.400 -0.072 0.000 2.671 693 D HA 0.670 5.303 4.640 -0.011 0.000 0.232 693 D C 0.721 177.002 176.300 -0.033 0.000 1.114 693 D CA 0.718 54.690 54.000 -0.047 0.000 0.858 693 D CB 1.732 42.506 40.800 -0.043 0.000 1.544 693 D HN 0.595 nan 8.370 nan 0.000 0.471 694 G N 1.886 110.676 108.800 -0.017 0.000 2.614 694 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.303 694 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.303 694 G C 1.051 175.945 174.900 -0.010 0.000 1.270 694 G CA 1.098 46.192 45.100 -0.010 0.000 0.988 694 G HN 1.050 nan 8.290 nan 0.000 0.551 695 A N -0.330 122.479 122.820 -0.019 0.000 2.168 695 A HA 0.086 4.400 4.320 -0.011 0.000 0.215 695 A C 2.119 179.641 177.584 -0.104 0.000 1.152 695 A CA 1.872 53.891 52.037 -0.030 0.000 0.716 695 A CB -0.465 18.505 19.000 -0.050 0.000 0.794 695 A HN 0.635 nan 8.150 nan 0.000 0.465 696 N N 0.599 119.245 118.700 -0.089 0.000 2.094 696 N HA -0.164 4.570 4.740 -0.011 0.000 0.191 696 N C 1.606 176.989 175.510 -0.212 0.000 1.023 696 N CA 1.652 54.642 53.050 -0.100 0.000 0.857 696 N CB -0.672 37.809 38.487 -0.011 0.000 1.013 696 N HN 0.292 nan 8.380 nan 0.000 0.426 697 V N 1.245 121.078 119.914 -0.134 0.000 2.287 697 V HA -0.226 3.888 4.120 -0.011 0.000 0.248 697 V C 1.995 178.013 176.094 -0.127 0.000 1.053 697 V CA 1.748 63.968 62.300 -0.133 0.000 1.027 697 V CB -0.511 31.270 31.823 -0.070 0.000 0.646 697 V HN 0.362 nan 8.190 nan 0.000 0.447 698 E N -0.638 119.541 120.200 -0.035 0.000 2.152 698 E HA -0.129 4.215 4.350 -0.011 0.000 0.192 698 E C 2.224 178.927 176.600 0.171 0.000 0.983 698 E CA 1.033 57.488 56.400 0.092 0.000 0.818 698 E CB -0.192 29.646 29.700 0.230 0.000 0.758 698 E HN 0.538 nan 8.360 nan 0.000 0.467 699 M N 0.560 120.151 119.600 -0.014 0.000 2.086 699 M HA -0.173 4.301 4.480 -0.011 0.000 0.261 699 M C 2.512 178.566 176.300 -0.410 0.000 1.067 699 M CA 1.649 56.855 55.300 -0.156 0.000 1.116 699 M CB -0.249 32.142 32.600 -0.347 0.000 1.348 699 M HN 0.145 nan 8.290 nan 0.000 0.407 700 A N -0.128 122.161 122.820 -0.885 0.000 1.933 700 A HA -0.226 4.088 4.320 -0.011 0.000 0.218 700 A C 1.979 179.368 177.584 -0.325 0.000 1.175 700 A CA 2.003 53.502 52.037 -0.898 0.000 0.628 700 A CB -0.836 17.661 19.000 -0.837 0.000 0.814 700 A HN 0.609 nan 8.150 nan 0.000 0.444 701 E N -0.358 119.722 120.200 -0.200 0.000 2.077 701 E HA -0.223 4.121 4.350 -0.011 0.000 0.193 701 E C 1.788 178.360 176.600 -0.048 0.000 0.989 701 E CA 1.317 57.661 56.400 -0.093 0.000 0.800 701 E CB -0.094 29.571 29.700 -0.058 0.000 0.746 701 E HN 0.551 nan 8.360 nan 0.000 0.452 702 E N 0.236 120.434 120.200 -0.003 0.000 2.047 702 E HA -0.142 4.202 4.350 -0.011 0.000 0.191 702 E C 1.932 178.553 176.600 0.035 0.000 0.987 702 E CA 1.209 57.629 56.400 0.033 0.000 0.799 702 E CB -0.283 29.488 29.700 0.118 0.000 0.752 702 E HN 0.388 nan 8.360 nan 0.000 0.449 703 A N 0.412 123.259 122.820 0.044 0.000 2.072 703 A HA 0.297 4.611 4.320 -0.011 0.000 0.216 703 A C 1.085 178.685 177.584 0.028 0.000 1.156 703 A CA 1.181 53.259 52.037 0.069 0.000 0.701 703 A CB -0.118 18.983 19.000 0.168 0.000 0.816 703 A HN 0.276 nan 8.150 nan 0.000 0.458 704 G N -0.690 108.102 108.800 -0.014 0.000 3.055 704 G HA2 -0.095 3.858 3.960 -0.011 0.000 0.686 704 G HA3 -0.095 3.858 3.960 -0.011 0.000 0.686 704 G C -0.013 174.871 174.900 -0.027 0.000 1.087 704 G CA 0.008 45.093 45.100 -0.025 0.000 0.779 704 G HN 0.250 nan 8.290 nan 0.000 0.599 705 E N 0.975 121.148 120.200 -0.045 0.000 2.209 705 E HA -0.173 4.170 4.350 -0.011 0.000 0.196 705 E C 2.041 178.627 176.600 -0.024 0.000 0.993 705 E CA 1.761 58.140 56.400 -0.034 0.000 0.819 705 E CB 0.071 29.749 29.700 -0.038 0.000 0.745 705 E HN 0.771 nan 8.360 nan 0.000 0.477 706 E N 0.698 120.872 120.200 -0.044 0.000 2.338 706 E HA -0.097 4.247 4.350 -0.011 0.000 0.197 706 E C 1.009 177.520 176.600 -0.147 0.000 1.007 706 E CA 0.645 56.996 56.400 -0.081 0.000 0.849 706 E CB -0.028 29.637 29.700 -0.059 0.000 0.774 706 E HN 0.146 nan 8.360 nan 0.000 0.506 707 N N -0.462 118.181 118.700 -0.095 0.000 2.235 707 N HA 0.144 4.878 4.740 -0.011 0.000 0.209 707 N C -0.975 174.459 175.510 -0.127 0.000 1.122 707 N CA 0.067 53.037 53.050 -0.133 0.000 0.845 707 N CB 0.420 38.885 38.487 -0.038 0.000 1.004 707 N HN 0.052 nan 8.380 nan 0.000 0.499 708 F N -0.304 119.437 119.950 -0.349 0.000 2.565 708 F HA 0.400 4.920 4.527 -0.012 0.000 0.313 708 F C -0.763 174.820 175.800 -0.362 0.000 1.091 708 F CA -1.082 56.754 58.000 -0.273 0.000 0.915 708 F CB 1.293 40.220 39.000 -0.121 0.000 1.208 708 F HN -0.214 nan 8.300 nan 0.000 0.453 709 F N 5.587 125.528 119.950 -0.015 0.000 2.425 709 F HA 0.411 4.931 4.527 -0.010 0.000 0.354 709 F C -0.042 175.884 175.800 0.210 0.000 1.162 709 F CA -0.369 57.669 58.000 0.064 0.000 1.250 709 F CB -0.130 38.858 39.000 -0.020 0.000 1.579 709 F HN 0.076 nan 8.300 nan 0.000 0.589 710 I N 3.964 124.735 120.570 0.335 0.000 2.396 710 I HA 0.387 4.551 4.170 -0.011 0.000 0.292 710 I C -0.248 176.057 176.117 0.313 0.000 0.999 710 I CA -0.653 60.813 61.300 0.277 0.000 1.310 710 I CB 0.850 38.938 38.000 0.148 0.000 1.404 710 I HN 0.334 nan 8.210 nan 0.000 0.496 711 F N 3.443 123.461 119.950 0.113 0.000 2.685 711 F HA 0.927 5.447 4.527 -0.011 0.000 0.315 711 F C 0.007 175.848 175.800 0.069 0.000 1.126 711 F CA -0.602 57.453 58.000 0.092 0.000 0.950 711 F CB 1.014 40.081 39.000 0.112 0.000 1.360 711 F HN 0.781 nan 8.300 nan 0.000 0.469 712 G N 1.085 109.959 108.800 0.122 0.000 2.728 712 G HA2 -0.082 3.872 3.960 -0.011 0.000 0.294 712 G HA3 -0.082 3.872 3.960 -0.011 0.000 0.294 712 G C -0.884 173.992 174.900 -0.040 0.000 1.342 712 G CA -0.627 44.485 45.100 0.021 0.000 0.866 712 G HN 0.960 nan 8.290 nan 0.000 0.534 713 M N 0.889 120.475 119.600 -0.025 0.000 2.249 713 M HA 0.216 4.690 4.480 -0.011 0.000 0.340 713 M C 1.198 177.465 176.300 -0.055 0.000 1.166 713 M CA 0.048 55.339 55.300 -0.015 0.000 1.115 713 M CB 0.292 32.892 32.600 -0.000 0.000 1.606 713 M HN 0.518 nan 8.290 nan 0.000 0.448 714 R N 1.785 122.266 120.500 -0.032 0.000 2.546 714 R HA 0.257 4.590 4.340 -0.011 0.000 0.266 714 R C 1.217 177.501 176.300 -0.028 0.000 1.086 714 R CA -0.564 55.513 56.100 -0.039 0.000 1.160 714 R CB -0.056 30.228 30.300 -0.027 0.000 1.138 714 R HN 0.576 nan 8.270 nan 0.000 0.567 715 V N 1.518 121.414 119.914 -0.029 0.000 2.324 715 V HA -0.290 3.824 4.120 -0.011 0.000 0.250 715 V C 1.882 177.967 176.094 -0.014 0.000 1.060 715 V CA 2.124 64.411 62.300 -0.022 0.000 1.042 715 V CB -0.488 31.320 31.823 -0.025 0.000 0.650 715 V HN 0.639 nan 8.190 nan 0.000 0.450 716 E N 0.103 120.296 120.200 -0.012 0.000 2.110 716 E HA -0.186 4.157 4.350 -0.011 0.000 0.193 716 E C 1.951 178.556 176.600 0.008 0.000 0.988 716 E CA 1.380 57.778 56.400 -0.004 0.000 0.804 716 E CB -0.356 29.343 29.700 -0.003 0.000 0.745 716 E HN 0.631 nan 8.360 nan 0.000 0.458 717 D N -0.204 120.202 120.400 0.011 0.000 2.144 717 D HA -0.090 4.543 4.640 -0.011 0.000 0.200 717 D C 1.953 178.271 176.300 0.030 0.000 0.978 717 D CA 0.771 54.787 54.000 0.028 0.000 0.833 717 D CB -0.051 40.769 40.800 0.033 0.000 0.961 717 D HN 0.069 nan 8.370 nan 0.000 0.470 718 V N 1.790 121.710 119.914 0.009 0.000 2.358 718 V HA -0.200 3.914 4.120 -0.011 0.000 0.246 718 V C 1.947 178.044 176.094 0.005 0.000 1.047 718 V CA 1.588 63.887 62.300 -0.002 0.000 1.035 718 V CB -0.378 31.434 31.823 -0.019 0.000 0.658 718 V HN 0.021 nan 8.190 nan 0.000 0.452 719 D N 0.054 120.456 120.400 0.005 0.000 2.104 719 D HA -0.156 4.478 4.640 -0.011 0.000 0.194 719 D C 2.416 178.728 176.300 0.021 0.000 0.994 719 D CA 1.292 55.295 54.000 0.006 0.000 0.830 719 D CB -0.263 40.537 40.800 -0.000 0.000 0.959 719 D HN 0.361 nan 8.370 nan 0.000 0.452 720 R N 0.127 120.644 120.500 0.029 0.000 2.091 720 R HA -0.051 4.282 4.340 -0.011 0.000 0.238 720 R C 2.528 178.864 176.300 0.061 0.000 1.136 720 R CA 0.585 56.710 56.100 0.042 0.000 0.959 720 R CB -0.413 29.914 30.300 0.045 0.000 0.856 720 R HN 0.205 nan 8.270 nan 0.000 0.437 721 L N 0.662 121.932 121.223 0.078 0.000 2.083 721 L HA -0.208 4.125 4.340 -0.011 0.000 0.209 721 L C 1.535 178.473 176.870 0.113 0.000 1.083 721 L CA 1.344 56.257 54.840 0.122 0.000 0.752 721 L CB -0.287 41.863 42.059 0.151 0.000 0.899 721 L HN 0.237 nan 8.230 nan 0.000 0.433 722 D N -0.526 119.915 120.400 0.068 0.000 2.144 722 D HA -0.207 4.426 4.640 -0.011 0.000 0.199 722 D C 2.215 178.546 176.300 0.051 0.000 0.984 722 D CA 1.105 55.138 54.000 0.054 0.000 0.834 722 D CB -0.021 40.789 40.800 0.018 0.000 0.955 722 D HN 0.431 nan 8.370 nan 0.000 0.465 723 Q N -0.036 119.791 119.800 0.044 0.000 2.119 723 Q HA -0.087 4.246 4.340 -0.011 0.000 0.201 723 Q C 2.217 178.243 176.000 0.044 0.000 0.972 723 Q CA 0.866 56.691 55.803 0.037 0.000 0.847 723 Q CB 0.063 28.819 28.738 0.030 0.000 0.903 723 Q HN 0.130 nan 8.270 nan 0.000 0.433 724 R N -0.315 120.220 120.500 0.058 0.000 2.119 724 R HA 0.031 4.364 4.340 -0.011 0.000 0.222 724 R C -0.143 176.197 176.300 0.067 0.000 1.088 724 R CA 0.848 56.984 56.100 0.059 0.000 0.984 724 R CB 0.311 30.653 30.300 0.069 0.000 0.884 724 R HN 0.261 nan 8.270 nan 0.000 0.447 725 G N 0.044 108.898 108.800 0.090 0.000 3.355 725 G HA2 -0.266 3.688 3.960 -0.011 0.000 0.686 725 G HA3 -0.266 3.688 3.960 -0.011 0.000 0.686 725 G C -1.344 173.650 174.900 0.158 0.000 1.097 725 G CA -0.360 44.803 45.100 0.105 0.000 0.881 725 G HN 0.276 nan 8.290 nan 0.000 0.550 726 Y N 3.694 124.030 120.300 0.060 0.000 2.436 726 Y HA 0.580 5.124 4.550 -0.011 0.000 0.343 726 Y C 0.193 176.151 175.900 0.098 0.000 1.008 726 Y CA -1.092 57.063 58.100 0.092 0.000 1.241 726 Y CB 0.999 39.498 38.460 0.065 0.000 1.153 726 Y HN 0.550 nan 8.280 nan 0.000 0.521 727 N N 5.043 123.525 118.700 -0.363 0.000 2.564 727 N HA 0.298 5.031 4.740 -0.011 0.000 0.248 727 N C 0.226 175.481 175.510 -0.426 0.000 0.986 727 N CA 0.374 53.218 53.050 -0.343 0.000 0.921 727 N CB 1.574 39.985 38.487 -0.127 0.000 1.136 727 N HN 0.883 nan 8.380 nan 0.000 0.509 728 A N 3.023 125.513 122.820 -0.551 0.000 1.972 728 A HA -0.186 4.127 4.320 -0.011 0.000 0.219 728 A C 1.877 179.579 177.584 0.197 0.000 1.169 728 A CA 1.339 53.268 52.037 -0.180 0.000 0.635 728 A CB -0.274 18.530 19.000 -0.325 0.000 0.810 728 A HN 0.700 nan 8.150 nan 0.000 0.446 729 Q N 0.281 120.094 119.800 0.021 0.000 2.152 729 Q HA -0.237 4.097 4.340 -0.011 0.000 0.206 729 Q C 1.879 177.951 176.000 0.121 0.000 0.985 729 Q CA 2.291 58.133 55.803 0.064 0.000 0.863 729 Q CB -0.362 28.367 28.738 -0.014 0.000 0.904 729 Q HN 0.784 nan 8.270 nan 0.000 0.422 730 E N -1.370 118.838 120.200 0.013 0.000 2.070 730 E HA -0.255 4.089 4.350 -0.011 0.000 0.197 730 E C 1.614 178.148 176.600 -0.109 0.000 1.004 730 E CA 1.605 57.941 56.400 -0.108 0.000 0.805 730 E CB -0.273 29.257 29.700 -0.283 0.000 0.744 730 E HN 0.599 nan 8.360 nan 0.000 0.451 731 Y N -1.035 119.335 120.300 0.116 0.000 2.200 731 Y HA -0.219 4.324 4.550 -0.011 0.000 0.290 731 Y C 2.289 178.191 175.900 0.004 0.000 1.137 731 Y CA 1.566 59.722 58.100 0.094 0.000 1.163 731 Y CB -0.740 37.831 38.460 0.185 0.000 0.988 731 Y HN 0.236 nan 8.280 nan 0.000 0.518 732 Y N 1.409 121.749 120.300 0.067 0.000 2.151 732 Y HA -0.304 4.239 4.550 -0.011 0.000 0.284 732 Y C 1.853 177.724 175.900 -0.047 0.000 1.166 732 Y CA 1.953 60.014 58.100 -0.064 0.000 1.163 732 Y CB -0.412 38.065 38.460 0.028 0.000 0.974 732 Y HN 0.100 nan 8.280 nan 0.000 0.511 733 D N -0.417 120.070 120.400 0.145 0.000 2.178 733 D HA -0.101 4.533 4.640 -0.011 0.000 0.202 733 D C 1.907 178.181 176.300 -0.043 0.000 0.974 733 D CA 1.258 55.286 54.000 0.048 0.000 0.841 733 D CB -0.122 40.727 40.800 0.081 0.000 0.953 733 D HN 0.482 nan 8.370 nan 0.000 0.478 734 R N -0.216 120.262 120.500 -0.036 0.000 2.290 734 R HA 0.271 4.605 4.340 -0.011 0.000 0.197 734 R C 0.364 176.646 176.300 -0.030 0.000 0.913 734 R CA 0.105 56.185 56.100 -0.034 0.000 1.040 734 R CB 1.073 31.353 30.300 -0.033 0.000 0.992 734 R HN 0.156 nan 8.270 nan 0.000 0.500 735 I N 2.200 122.734 120.570 -0.060 0.000 2.464 735 I HA 0.223 4.386 4.170 -0.011 0.000 0.277 735 I C -1.955 174.072 176.117 -0.150 0.000 1.040 735 I CA -2.334 58.934 61.300 -0.054 0.000 1.153 735 I CB 2.127 40.133 38.000 0.010 0.000 1.274 735 I HN -0.284 nan 8.210 nan 0.000 0.469 736 P HA -0.146 nan 4.420 nan 0.000 0.216 736 P C 1.195 178.405 177.300 -0.151 0.000 1.150 736 P CA 1.320 64.332 63.100 -0.148 0.000 0.837 736 P CB 0.321 31.967 31.700 -0.091 0.000 0.786 737 E N -0.936 119.213 120.200 -0.086 0.000 2.110 737 E HA -0.164 4.180 4.350 -0.011 0.000 0.193 737 E C 1.869 178.377 176.600 -0.152 0.000 0.988 737 E CA 0.702 57.068 56.400 -0.057 0.000 0.804 737 E CB -0.585 29.152 29.700 0.062 0.000 0.745 737 E HN 0.119 nan 8.360 nan 0.000 0.458 738 L N 1.204 122.249 121.223 -0.297 0.000 2.056 738 L HA -0.132 4.202 4.340 -0.011 0.000 0.207 738 L C 2.379 178.980 176.870 -0.449 0.000 1.078 738 L CA 1.595 56.086 54.840 -0.583 0.000 0.749 738 L CB -0.274 41.280 42.059 -0.841 0.000 0.901 738 L HN -0.086 nan 8.230 nan 0.000 0.433 739 R N -0.799 119.416 120.500 -0.474 0.000 2.083 739 R HA -0.258 4.076 4.340 -0.011 0.000 0.237 739 R C 2.405 178.538 176.300 -0.279 0.000 1.137 739 R CA 2.087 57.826 56.100 -0.601 0.000 0.951 739 R CB -0.388 29.482 30.300 -0.715 0.000 0.851 739 R HN 0.609 nan 8.270 nan 0.000 0.434 740 Q N 0.414 120.088 119.800 -0.210 0.000 2.077 740 Q HA -0.206 4.128 4.340 -0.011 0.000 0.206 740 Q C 2.080 178.028 176.000 -0.086 0.000 0.989 740 Q CA 2.161 57.885 55.803 -0.132 0.000 0.853 740 Q CB -0.145 28.518 28.738 -0.125 0.000 0.907 740 Q HN 0.482 nan 8.270 nan 0.000 0.418 741 I N 0.582 121.100 120.570 -0.087 0.000 2.179 741 I HA -0.292 3.872 4.170 -0.011 0.000 0.242 741 I C 2.157 178.298 176.117 0.041 0.000 1.088 741 I CA 0.671 61.960 61.300 -0.018 0.000 1.357 741 I CB -0.328 37.634 38.000 -0.062 0.000 1.051 741 I HN 0.303 nan 8.210 nan 0.000 0.409 742 I N 0.841 121.433 120.570 0.038 0.000 2.286 742 I HA -0.253 3.911 4.170 -0.011 0.000 0.248 742 I C 2.448 178.664 176.117 0.165 0.000 1.115 742 I CA 1.709 63.099 61.300 0.150 0.000 1.392 742 I CB -1.310 36.870 38.000 0.299 0.000 1.065 742 I HN 0.360 nan 8.210 nan 0.000 0.418 743 E N 0.266 120.544 120.200 0.129 0.000 2.106 743 E HA -0.218 4.125 4.350 -0.011 0.000 0.192 743 E C 2.180 178.839 176.600 0.098 0.000 0.984 743 E CA 0.812 57.279 56.400 0.111 0.000 0.806 743 E CB -0.088 29.649 29.700 0.062 0.000 0.750 743 E HN 0.579 nan 8.360 nan 0.000 0.458 744 Q N 0.468 120.311 119.800 0.072 0.000 2.050 744 Q HA -0.134 4.199 4.340 -0.011 0.000 0.202 744 Q C 2.346 178.522 176.000 0.294 0.000 0.980 744 Q CA 1.037 56.899 55.803 0.098 0.000 0.840 744 Q CB -0.050 28.681 28.738 -0.012 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.424 745 L N -0.043 121.362 121.223 0.304 0.000 2.017 745 L HA -0.198 4.136 4.340 -0.011 0.000 0.208 745 L C 2.461 179.511 176.870 0.301 0.000 1.073 745 L CA 1.040 56.078 54.840 0.329 0.000 0.745 745 L CB -0.397 41.770 42.059 0.181 0.000 0.894 745 L HN 0.142 nan 8.230 nan 0.000 0.432 746 S N -0.295 115.537 115.700 0.219 0.000 2.383 746 S HA -0.153 4.310 4.470 -0.011 0.000 0.227 746 S C 2.123 176.823 174.600 0.166 0.000 1.026 746 S CA 1.523 59.832 58.200 0.181 0.000 0.981 746 S CB -0.234 63.052 63.200 0.144 0.000 0.818 746 S HN 0.612 nan 8.310 nan 0.000 0.472 747 S N 0.419 116.219 115.700 0.166 0.000 2.489 747 S HA 0.305 4.769 4.470 -0.011 0.000 0.228 747 S C 1.450 176.140 174.600 0.150 0.000 0.995 747 S CA 0.721 59.005 58.200 0.140 0.000 0.934 747 S CB -0.102 63.173 63.200 0.125 0.000 0.771 747 S HN 0.839 nan 8.310 nan 0.000 0.522 748 G N 0.497 109.419 108.800 0.203 0.000 2.135 748 G HA2 -0.246 3.707 3.960 -0.011 0.000 0.183 748 G HA3 -0.246 3.707 3.960 -0.011 0.000 0.183 748 G C 0.132 175.129 174.900 0.162 0.000 1.004 748 G CA 0.058 45.269 45.100 0.186 0.000 0.677 748 G HN 0.476 nan 8.290 nan 0.000 0.512 749 F N 0.220 120.177 119.950 0.013 0.000 2.171 749 F HA 0.205 4.725 4.527 -0.011 0.000 0.300 749 F C 1.871 177.475 175.800 -0.327 0.000 1.090 749 F CA 1.872 59.753 58.000 -0.199 0.000 1.293 749 F CB -0.007 38.788 39.000 -0.340 0.000 1.013 749 F HN 0.180 nan 8.300 nan 0.000 0.486 750 F N -0.358 119.714 119.950 0.204 0.000 2.727 750 F HA 0.201 4.721 4.527 -0.011 0.000 0.302 750 F C 0.585 176.488 175.800 0.173 0.000 1.097 750 F CA 0.199 58.274 58.000 0.125 0.000 1.330 750 F CB -0.081 38.999 39.000 0.134 0.000 1.084 750 F HN -0.046 nan 8.300 nan 0.000 0.578 751 S N -1.718 114.129 115.700 0.245 0.000 2.488 751 S HA 0.319 4.782 4.470 -0.011 0.000 0.151 751 S C -2.529 172.093 174.600 0.037 0.000 1.401 751 S CA -1.012 57.259 58.200 0.119 0.000 1.221 751 S CB 1.014 64.247 63.200 0.055 0.000 1.407 751 S HN -0.186 nan 8.310 nan 0.000 0.406 752 P HA -0.010 nan 4.420 nan 0.000 0.217 752 P C 1.050 178.342 177.300 -0.014 0.000 1.150 752 P CA 1.080 64.161 63.100 -0.033 0.000 0.832 752 P CB 0.106 31.760 31.700 -0.078 0.000 0.787 753 K N -1.004 119.388 120.400 -0.013 0.000 2.296 753 K HA 0.013 4.327 4.320 -0.011 0.000 0.200 753 K C 0.669 177.268 176.600 -0.002 0.000 1.048 753 K CA 0.788 57.070 56.287 -0.007 0.000 0.966 753 K CB 0.050 32.547 32.500 -0.006 0.000 0.754 753 K HN 0.290 nan 8.250 nan 0.000 0.466 754 Q N -0.133 119.664 119.800 -0.005 0.000 2.932 754 Q HA 0.160 4.494 4.340 -0.011 0.000 0.248 754 Q C -2.396 173.598 176.000 -0.010 0.000 0.982 754 Q CA -1.681 54.115 55.803 -0.012 0.000 0.730 754 Q CB 1.575 30.298 28.738 -0.025 0.000 1.249 754 Q HN -0.086 nan 8.270 nan 0.000 0.476 755 P HA -0.218 nan 4.420 nan 0.000 0.216 755 P C 0.687 178.022 177.300 0.057 0.000 1.150 755 P CA 1.443 64.570 63.100 0.046 0.000 0.843 755 P CB 0.209 31.936 31.700 0.044 0.000 0.787 756 D N -1.127 119.291 120.400 0.031 0.000 2.342 756 D HA -0.009 4.625 4.640 -0.011 0.000 0.221 756 D C 1.604 177.906 176.300 0.003 0.000 1.101 756 D CA -0.222 53.804 54.000 0.043 0.000 0.837 756 D CB -0.626 40.199 40.800 0.042 0.000 0.938 756 D HN 0.029 nan 8.370 nan 0.000 0.508 757 L N -0.090 121.072 121.223 -0.101 0.000 2.043 757 L HA -0.065 4.269 4.340 -0.011 0.000 0.212 757 L C 1.196 177.869 176.870 -0.328 0.000 1.075 757 L CA 1.668 56.333 54.840 -0.293 0.000 0.752 757 L CB -0.580 41.127 42.059 -0.587 0.000 0.891 757 L HN -0.020 nan 8.230 nan 0.000 0.432 758 F N -0.614 119.391 119.950 0.091 0.000 2.668 758 F HA 0.132 4.653 4.527 -0.010 0.000 0.297 758 F C 1.854 177.702 175.800 0.081 0.000 1.124 758 F CA -0.126 57.916 58.000 0.070 0.000 1.353 758 F CB -0.311 38.718 39.000 0.049 0.000 0.992 758 F HN 0.109 nan 8.300 nan 0.000 0.524 759 K N -0.332 120.184 120.400 0.193 0.000 2.103 759 K HA -0.188 4.125 4.320 -0.011 0.000 0.207 759 K C 1.009 177.706 176.600 0.161 0.000 1.048 759 K CA 2.001 58.383 56.287 0.159 0.000 0.930 759 K CB -0.265 32.305 32.500 0.118 0.000 0.716 759 K HN 0.058 nan 8.250 nan 0.000 0.444 760 D N 1.278 121.788 120.400 0.183 0.000 2.117 760 D HA -0.098 4.535 4.640 -0.011 0.000 0.197 760 D C 2.042 178.441 176.300 0.165 0.000 0.987 760 D CA 1.193 55.313 54.000 0.200 0.000 0.829 760 D CB -0.142 40.821 40.800 0.272 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.435 121.103 120.570 0.164 0.000 2.179 761 I HA -0.225 3.939 4.170 -0.011 0.000 0.242 761 I C 2.424 178.574 176.117 0.055 0.000 1.088 761 I CA 0.645 62.006 61.300 0.102 0.000 1.357 761 I CB -0.245 37.815 38.000 0.100 0.000 1.051 761 I HN -0.107 nan 8.210 nan 0.000 0.409 762 V N 1.196 121.164 119.914 0.090 0.000 2.295 762 V HA -0.308 3.806 4.120 -0.011 0.000 0.246 762 V C 2.243 178.331 176.094 -0.011 0.000 1.049 762 V CA 2.416 64.752 62.300 0.061 0.000 1.024 762 V CB -1.022 30.864 31.823 0.104 0.000 0.648 762 V HN 0.485 nan 8.190 nan 0.000 0.447 763 N N -0.113 118.608 118.700 0.036 0.000 2.104 763 N HA -0.217 4.516 4.740 -0.011 0.000 0.190 763 N C 1.847 177.235 175.510 -0.203 0.000 1.024 763 N CA 1.860 54.941 53.050 0.051 0.000 0.853 763 N CB -0.284 38.301 38.487 0.164 0.000 1.008 763 N HN 0.341 nan 8.380 nan 0.000 0.424 764 M N -0.215 119.222 119.600 -0.271 0.000 2.086 764 M HA -0.100 4.374 4.480 -0.011 0.000 0.261 764 M C 1.463 177.517 176.300 -0.410 0.000 1.067 764 M CA 1.272 56.237 55.300 -0.558 0.000 1.116 764 M CB -0.696 31.837 32.600 -0.112 0.000 1.348 764 M HN 0.211 nan 8.290 nan 0.000 0.407 765 L N 0.788 121.843 121.223 -0.280 0.000 2.043 765 L HA -0.232 4.101 4.340 -0.011 0.000 0.212 765 L C 2.476 178.999 176.870 -0.579 0.000 1.075 765 L CA 1.744 56.334 54.840 -0.416 0.000 0.752 765 L CB -1.120 40.761 42.059 -0.297 0.000 0.891 765 L HN 0.358 nan 8.230 nan 0.000 0.432 766 M N -2.141 117.181 119.600 -0.464 0.000 2.334 766 M HA -0.059 4.415 4.480 -0.011 0.000 0.266 766 M C 1.800 177.685 176.300 -0.690 0.000 1.082 766 M CA 1.371 56.314 55.300 -0.594 0.000 1.141 766 M CB -0.713 31.459 32.600 -0.714 0.000 1.380 766 M HN 0.345 nan 8.290 nan 0.000 0.440 767 H N -1.921 117.020 119.070 -0.216 0.000 3.091 767 H HA 0.186 4.736 4.556 -0.011 0.000 0.249 767 H C 0.080 175.401 175.328 -0.012 0.000 0.985 767 H CA 0.625 56.611 56.048 -0.102 0.000 1.177 767 H CB 0.331 30.088 29.762 -0.008 0.000 1.456 767 H HN 0.552 nan 8.280 nan 0.000 0.467 768 H N -1.228 117.900 119.070 0.097 0.000 2.823 768 H HA 0.288 4.838 4.556 -0.011 0.000 0.222 768 H C -1.229 174.128 175.328 0.049 0.000 1.414 768 H CA -0.650 55.444 56.048 0.077 0.000 1.289 768 H CB -0.033 29.775 29.762 0.076 0.000 1.970 768 H HN -0.125 nan 8.280 nan 0.000 0.517 769 D N 1.378 121.805 120.400 0.045 0.000 2.411 769 D HA 0.148 4.782 4.640 -0.011 0.000 0.225 769 D C 0.868 177.128 176.300 -0.066 0.000 1.156 769 D CA -0.495 53.513 54.000 0.013 0.000 0.874 769 D CB 0.773 41.555 40.800 -0.029 0.000 1.034 769 D HN 0.481 nan 8.370 nan 0.000 0.502 770 R N 2.319 122.696 120.500 -0.205 0.000 2.237 770 R HA -0.050 4.284 4.340 -0.011 0.000 0.219 770 R C 0.547 176.369 176.300 -0.797 0.000 1.080 770 R CA 0.924 56.678 56.100 -0.575 0.000 0.995 770 R CB 0.094 29.844 30.300 -0.917 0.000 0.875 770 R HN 0.417 nan 8.270 nan 0.000 0.462 771 F N 0.036 119.948 119.950 -0.062 0.000 2.688 771 F HA 0.276 4.797 4.527 -0.011 0.000 0.310 771 F C 0.003 175.690 175.800 -0.188 0.000 1.098 771 F CA -0.701 57.252 58.000 -0.078 0.000 1.228 771 F CB 0.332 39.349 39.000 0.028 0.000 1.042 771 F HN -0.259 nan 8.300 nan 0.000 0.557 772 K N -0.230 120.000 120.400 -0.284 0.000 3.257 772 K HA -0.170 4.144 4.320 -0.011 0.000 0.270 772 K C 0.941 177.434 176.600 -0.178 0.000 0.984 772 K CA 0.194 56.136 56.287 -0.575 0.000 0.739 772 K CB -1.861 30.206 32.500 -0.721 0.000 1.351 772 K HN 0.197 nan 8.250 nan 0.000 0.463 773 V N -0.011 119.877 119.914 -0.043 0.000 2.287 773 V HA -0.292 3.821 4.120 -0.011 0.000 0.248 773 V C 1.947 178.187 176.094 0.244 0.000 1.053 773 V CA 2.346 64.699 62.300 0.089 0.000 1.027 773 V CB -0.494 31.386 31.823 0.095 0.000 0.646 773 V HN 0.504 nan 8.190 nan 0.000 0.447 774 F N 0.154 120.104 119.950 -0.002 0.000 2.216 774 F HA -0.170 4.350 4.527 -0.011 0.000 0.300 774 F C 2.507 178.077 175.800 -0.385 0.000 1.085 774 F CA 0.611 58.549 58.000 -0.104 0.000 1.326 774 F CB -0.352 38.607 39.000 -0.068 0.000 1.027 774 F HN 0.196 nan 8.300 nan 0.000 0.497 775 A N -0.505 122.149 122.820 -0.276 0.000 2.019 775 A HA -0.188 4.126 4.320 -0.011 0.000 0.219 775 A C 1.451 179.014 177.584 -0.034 0.000 1.164 775 A CA 1.813 53.600 52.037 -0.416 0.000 0.644 775 A CB -0.435 18.484 19.000 -0.134 0.000 0.805 775 A HN 0.220 nan 8.150 nan 0.000 0.449 776 D N -2.765 117.680 120.400 0.075 0.000 2.369 776 D HA 0.091 4.725 4.640 -0.011 0.000 0.211 776 D C 1.136 177.588 176.300 0.254 0.000 1.077 776 D CA -0.043 54.078 54.000 0.201 0.000 0.842 776 D CB -0.109 40.830 40.800 0.232 0.000 0.947 776 D HN 0.598 nan 8.370 nan 0.000 0.509 777 Y N 2.043 122.409 120.300 0.110 0.000 2.097 777 Y HA -0.207 4.337 4.550 -0.010 0.000 0.282 777 Y C 2.078 178.046 175.900 0.115 0.000 1.152 777 Y CA 1.842 60.016 58.100 0.122 0.000 1.136 777 Y CB 0.210 38.704 38.460 0.057 0.000 0.975 777 Y HN -0.112 nan 8.280 nan 0.000 0.498 778 E N 0.018 120.259 120.200 0.068 0.000 2.031 778 E HA -0.241 4.103 4.350 -0.011 0.000 0.193 778 E C 2.159 178.715 176.600 -0.073 0.000 0.994 778 E CA 1.602 57.977 56.400 -0.042 0.000 0.800 778 E CB -0.180 29.599 29.700 0.131 0.000 0.752 778 E HN 0.640 nan 8.360 nan 0.000 0.447 779 E N -0.163 120.070 120.200 0.055 0.000 2.110 779 E HA -0.201 4.143 4.350 -0.011 0.000 0.193 779 E C 1.934 178.514 176.600 -0.032 0.000 0.988 779 E CA 0.755 57.210 56.400 0.091 0.000 0.804 779 E CB -0.139 29.708 29.700 0.244 0.000 0.745 779 E HN 0.264 nan 8.360 nan 0.000 0.458 780 Y N 1.334 121.436 120.300 -0.331 0.000 2.114 780 Y HA -0.230 4.313 4.550 -0.011 0.000 0.284 780 Y C 2.157 177.652 175.900 -0.674 0.000 1.143 780 Y CA 1.030 58.617 58.100 -0.855 0.000 1.135 780 Y CB -0.516 37.493 38.460 -0.750 0.000 0.980 780 Y HN -0.208 nan 8.280 nan 0.000 0.499 781 V N 0.394 119.931 119.914 -0.628 0.000 2.343 781 V HA -0.306 3.808 4.120 -0.011 0.000 0.247 781 V C 2.363 178.207 176.094 -0.417 0.000 1.051 781 V CA 2.318 64.259 62.300 -0.599 0.000 1.036 781 V CB -0.685 30.818 31.823 -0.534 0.000 0.654 781 V HN 0.206 nan 8.190 nan 0.000 0.451 782 K N -0.495 119.732 120.400 -0.288 0.000 2.032 782 K HA -0.200 4.113 4.320 -0.011 0.000 0.209 782 K C 2.257 178.756 176.600 -0.168 0.000 1.048 782 K CA 1.936 58.124 56.287 -0.166 0.000 0.927 782 K CB -0.982 31.470 32.500 -0.079 0.000 0.712 782 K HN 0.541 nan 8.250 nan 0.000 0.441 783 C N 0.755 119.927 119.300 -0.214 0.000 2.425 783 C HA -0.083 4.371 4.460 -0.011 0.000 0.277 783 C C 2.469 177.271 174.990 -0.314 0.000 1.280 783 C CA 0.716 59.638 59.018 -0.161 0.000 1.744 783 C CB -0.726 26.937 27.740 -0.128 0.000 1.989 783 C HN 0.478 nan 8.230 nan 0.000 0.491 784 Q N 0.432 119.905 119.800 -0.545 0.000 2.170 784 Q HA -0.171 4.163 4.340 -0.011 0.000 0.203 784 Q C 1.981 177.780 176.000 -0.336 0.000 0.976 784 Q CA 1.604 57.051 55.803 -0.593 0.000 0.858 784 Q CB -0.395 27.743 28.738 -1.000 0.000 0.907 784 Q HN 0.760 nan 8.270 nan 0.000 0.433 785 E N 0.186 120.245 120.200 -0.235 0.000 2.106 785 E HA -0.134 4.209 4.350 -0.011 0.000 0.192 785 E C 2.064 178.618 176.600 -0.077 0.000 0.984 785 E CA 0.561 56.887 56.400 -0.123 0.000 0.806 785 E CB -0.017 29.631 29.700 -0.088 0.000 0.750 785 E HN 0.272 nan 8.360 nan 0.000 0.458 786 R N 0.464 120.925 120.500 -0.065 0.000 2.115 786 R HA -0.073 4.261 4.340 -0.011 0.000 0.230 786 R C 2.409 178.710 176.300 0.003 0.000 1.111 786 R CA 0.842 56.973 56.100 0.052 0.000 0.976 786 R CB -0.305 30.104 30.300 0.182 0.000 0.870 786 R HN 0.065 nan 8.270 nan 0.000 0.445 787 V N 0.681 120.391 119.914 -0.341 0.000 2.295 787 V HA -0.239 3.874 4.120 -0.011 0.000 0.246 787 V C 2.206 178.275 176.094 -0.041 0.000 1.049 787 V CA 1.978 63.985 62.300 -0.488 0.000 1.024 787 V CB -0.379 31.047 31.823 -0.662 0.000 0.648 787 V HN 0.277 nan 8.190 nan 0.000 0.447 788 S N 0.080 115.729 115.700 -0.084 0.000 2.382 788 S HA -0.165 4.298 4.470 -0.011 0.000 0.228 788 S C 2.218 176.868 174.600 0.083 0.000 1.027 788 S CA 1.372 59.556 58.200 -0.026 0.000 0.991 788 S CB -0.501 62.657 63.200 -0.069 0.000 0.823 788 S HN 0.650 nan 8.310 nan 0.000 0.469 789 A N 1.477 124.349 122.820 0.087 0.000 1.883 789 A HA -0.033 4.281 4.320 -0.011 0.000 0.217 789 A C 2.101 179.795 177.584 0.184 0.000 1.186 789 A CA 1.165 53.276 52.037 0.123 0.000 0.624 789 A CB -0.758 18.306 19.000 0.107 0.000 0.822 789 A HN 0.460 nan 8.150 nan 0.000 0.444 790 L N -2.081 119.310 121.223 0.279 0.000 2.093 790 L HA -0.150 4.183 4.340 -0.011 0.000 0.208 790 L C 2.459 179.595 176.870 0.444 0.000 1.085 790 L CA 1.781 56.861 54.840 0.400 0.000 0.755 790 L CB -0.418 41.991 42.059 0.584 0.000 0.904 790 L HN 0.610 nan 8.230 nan 0.000 0.435 791 Y N 0.915 121.333 120.300 0.197 0.000 2.352 791 Y HA -0.247 4.298 4.550 -0.009 0.000 0.292 791 Y C 2.401 178.235 175.900 -0.110 0.000 1.136 791 Y CA 1.503 59.478 58.100 -0.209 0.000 1.227 791 Y CB -0.013 38.109 38.460 -0.562 0.000 0.991 791 Y HN 0.062 nan 8.280 nan 0.000 0.545 792 K N -0.087 120.366 120.400 0.087 0.000 2.360 792 K HA -0.146 4.168 4.320 -0.011 0.000 0.201 792 K C 0.379 176.971 176.600 -0.013 0.000 1.046 792 K CA 0.826 57.144 56.287 0.052 0.000 0.945 792 K CB -0.091 32.474 32.500 0.108 0.000 0.750 792 K HN 0.052 nan 8.250 nan 0.000 0.464 793 N N 0.356 119.061 118.700 0.008 0.000 2.898 793 N HA 0.134 4.867 4.740 -0.011 0.000 0.245 793 N C -2.431 173.080 175.510 0.002 0.000 1.185 793 N CA -2.140 50.917 53.050 0.012 0.000 0.879 793 N CB 1.168 39.692 38.487 0.062 0.000 1.157 793 N HN -0.193 nan 8.380 nan 0.000 0.503 794 P HA -0.196 nan 4.420 nan 0.000 0.216 794 P C 1.396 178.704 177.300 0.014 0.000 1.154 794 P CA 1.217 64.244 63.100 -0.121 0.000 0.865 794 P CB 0.382 31.990 31.700 -0.153 0.000 0.789 795 R N -0.077 120.432 120.500 0.015 0.000 2.081 795 R HA -0.149 4.184 4.340 -0.011 0.000 0.235 795 R C 1.959 178.297 176.300 0.065 0.000 1.131 795 R CA 1.412 57.532 56.100 0.033 0.000 0.960 795 R CB -0.346 29.966 30.300 0.019 0.000 0.856 795 R HN 0.090 nan 8.270 nan 0.000 0.436 796 E N -0.059 120.189 120.200 0.082 0.000 2.158 796 E HA -0.207 4.136 4.350 -0.011 0.000 0.191 796 E C 1.592 178.265 176.600 0.123 0.000 0.982 796 E CA 0.562 57.014 56.400 0.087 0.000 0.823 796 E CB -0.431 29.319 29.700 0.083 0.000 0.766 796 E HN 0.505 nan 8.360 nan 0.000 0.468 797 W N 2.243 123.538 121.300 -0.009 0.000 2.333 797 W HA -0.216 4.437 4.660 -0.012 0.000 0.316 797 W C 1.642 178.162 176.519 0.003 0.000 1.215 797 W CA 2.235 59.586 57.345 0.010 0.000 1.278 797 W CB -0.450 28.978 29.460 -0.054 0.000 1.154 797 W HN 0.038 nan 8.180 nan 0.000 0.486 798 T N 1.085 115.761 114.554 0.203 0.000 2.788 798 T HA -0.166 4.178 4.350 -0.011 0.000 0.268 798 T C 1.848 176.549 174.700 0.002 0.000 1.044 798 T CA 1.664 63.817 62.100 0.088 0.000 1.139 798 T CB -0.316 68.594 68.868 0.071 0.000 0.867 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.431 120.940 120.500 0.015 0.000 2.096 799 R HA 0.074 4.407 4.340 -0.011 0.000 0.235 799 R C 2.510 178.795 176.300 -0.025 0.000 1.127 799 R CA 1.248 57.357 56.100 0.015 0.000 0.968 799 R CB -0.337 29.980 30.300 0.027 0.000 0.861 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.438 119.987 119.600 -0.086 0.000 2.175 800 M HA -0.145 4.329 4.480 -0.011 0.000 0.264 800 M C 1.946 178.148 176.300 -0.164 0.000 1.063 800 M CA 1.381 56.593 55.300 -0.147 0.000 1.119 800 M CB 0.161 32.618 32.600 -0.238 0.000 1.377 800 M HN -0.011 nan 8.290 nan 0.000 0.415 801 V N 0.940 120.730 119.914 -0.207 0.000 2.287 801 V HA -0.325 3.789 4.120 -0.011 0.000 0.248 801 V C 2.212 178.282 176.094 -0.041 0.000 1.053 801 V CA 2.106 64.319 62.300 -0.146 0.000 1.027 801 V CB -0.640 31.116 31.823 -0.112 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.620 119.948 120.570 -0.004 0.000 2.264 802 I HA -0.263 3.900 4.170 -0.011 0.000 0.248 802 I C 2.686 178.850 176.117 0.079 0.000 1.111 802 I CA 1.587 62.935 61.300 0.080 0.000 1.382 802 I CB -0.411 37.688 38.000 0.165 0.000 1.060 802 I HN 0.208 nan 8.210 nan 0.000 0.418 803 R N 0.365 120.889 120.500 0.039 0.000 2.148 803 R HA -0.088 4.246 4.340 -0.011 0.000 0.227 803 R C 1.981 178.310 176.300 0.049 0.000 1.103 803 R CA 0.970 57.093 56.100 0.038 0.000 0.983 803 R CB -0.344 29.964 30.300 0.012 0.000 0.874 803 R HN 0.538 nan 8.270 nan 0.000 0.451 804 N N 0.642 119.364 118.700 0.037 0.000 2.148 804 N HA -0.065 4.668 4.740 -0.011 0.000 0.186 804 N C 1.953 177.518 175.510 0.092 0.000 1.031 804 N CA 1.021 54.115 53.050 0.073 0.000 0.848 804 N CB -0.010 38.494 38.487 0.028 0.000 1.005 804 N HN 0.102 nan 8.380 nan 0.000 0.427 805 I N 1.729 122.342 120.570 0.071 0.000 2.194 805 I HA -0.265 3.899 4.170 -0.011 0.000 0.246 805 I C 2.465 178.630 176.117 0.080 0.000 1.093 805 I CA 1.049 62.396 61.300 0.078 0.000 1.355 805 I CB -0.355 37.685 38.000 0.066 0.000 1.046 805 I HN 0.103 nan 8.210 nan 0.000 0.413 806 A N 0.286 123.153 122.820 0.078 0.000 2.019 806 A HA -0.164 4.150 4.320 -0.011 0.000 0.219 806 A C 2.090 179.710 177.584 0.059 0.000 1.164 806 A CA 2.062 54.136 52.037 0.062 0.000 0.644 806 A CB -0.845 18.195 19.000 0.066 0.000 0.805 806 A HN 0.547 nan 8.150 nan 0.000 0.449 807 T N -2.922 111.682 114.554 0.082 0.000 3.174 807 T HA 0.186 4.529 4.350 -0.011 0.000 0.269 807 T C 1.141 175.929 174.700 0.147 0.000 1.017 807 T CA 0.629 62.781 62.100 0.087 0.000 0.899 807 T CB -0.185 68.733 68.868 0.083 0.000 1.077 807 T HN 0.471 nan 8.240 nan 0.000 0.552 808 S N 0.128 115.932 115.700 0.173 0.000 2.603 808 S HA 0.231 4.694 4.470 -0.011 0.000 0.220 808 S C 2.214 176.942 174.600 0.215 0.000 0.967 808 S CA 0.283 58.659 58.200 0.293 0.000 0.920 808 S CB -0.655 62.687 63.200 0.237 0.000 0.773 808 S HN 0.532 nan 8.310 nan 0.000 0.529 809 G N 2.704 111.550 108.800 0.078 0.000 2.469 809 G HA2 -0.298 3.656 3.960 -0.011 0.000 0.220 809 G HA3 -0.298 3.656 3.960 -0.011 0.000 0.220 809 G C 1.320 176.169 174.900 -0.085 0.000 1.136 809 G CA 1.056 46.167 45.100 0.019 0.000 0.759 809 G HN 0.616 nan 8.290 nan 0.000 0.562 810 K N -0.170 120.057 120.400 -0.288 0.000 2.281 810 K HA -0.038 4.275 4.320 -0.011 0.000 0.203 810 K C 1.276 177.546 176.600 -0.549 0.000 1.046 810 K CA 0.828 56.799 56.287 -0.527 0.000 0.938 810 K CB -0.270 31.720 32.500 -0.850 0.000 0.737 810 K HN 0.422 nan 8.250 nan 0.000 0.458 811 F N 0.702 120.681 119.950 0.048 0.000 2.692 811 F HA 0.150 4.670 4.527 -0.011 0.000 0.303 811 F C 0.781 176.625 175.800 0.074 0.000 1.114 811 F CA -0.635 57.400 58.000 0.058 0.000 1.361 811 F CB 0.474 39.504 39.000 0.051 0.000 1.063 811 F HN -0.123 nan 8.300 nan 0.000 0.550 812 S N 0.456 116.242 115.700 0.145 0.000 2.531 812 S HA 0.041 4.505 4.470 -0.011 0.000 0.279 812 S C 1.482 176.164 174.600 0.136 0.000 1.305 812 S CA -0.116 58.163 58.200 0.131 0.000 1.058 812 S CB 0.747 63.994 63.200 0.079 0.000 0.899 812 S HN 0.371 nan 8.310 nan 0.000 0.493 813 S N 3.373 119.179 115.700 0.176 0.000 2.507 813 S HA -0.092 4.372 4.470 -0.011 0.000 0.235 813 S C 0.986 175.639 174.600 0.088 0.000 0.988 813 S CA 0.802 59.125 58.200 0.205 0.000 0.944 813 S CB -0.358 63.040 63.200 0.330 0.000 0.762 813 S HN 0.795 nan 8.310 nan 0.000 0.526 814 D N 1.923 122.360 120.400 0.062 0.000 2.117 814 D HA -0.094 4.539 4.640 -0.011 0.000 0.197 814 D C 2.103 178.407 176.300 0.008 0.000 0.987 814 D CA 0.838 54.852 54.000 0.024 0.000 0.829 814 D CB -0.351 40.461 40.800 0.020 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.460 815 R N 0.792 121.299 120.500 0.011 0.000 2.073 815 R HA -0.095 4.238 4.340 -0.011 0.000 0.234 815 R C 1.940 178.232 176.300 -0.014 0.000 1.134 815 R CA 1.486 57.579 56.100 -0.012 0.000 0.952 815 R CB -0.833 29.446 30.300 -0.034 0.000 0.850 815 R HN 0.132 nan 8.270 nan 0.000 0.433 816 T N 2.238 116.806 114.554 0.024 0.000 2.635 816 T HA -0.141 4.203 4.350 -0.011 0.000 0.267 816 T C 1.932 176.630 174.700 -0.003 0.000 1.040 816 T CA 1.499 63.629 62.100 0.049 0.000 1.156 816 T CB -0.142 68.833 68.868 0.177 0.000 0.863 816 T HN 0.118 nan 8.240 nan 0.000 0.430 817 I N 1.614 122.111 120.570 -0.121 0.000 2.315 817 I HA -0.074 4.089 4.170 -0.011 0.000 0.248 817 I C 2.948 179.030 176.117 -0.058 0.000 1.117 817 I CA 0.925 62.125 61.300 -0.166 0.000 1.404 817 I CB -1.651 36.242 38.000 -0.177 0.000 1.071 817 I HN 0.196 nan 8.210 nan 0.000 0.419 818 A N 0.279 123.079 122.820 -0.033 0.000 1.940 818 A HA -0.256 4.058 4.320 -0.011 0.000 0.219 818 A C 2.265 179.811 177.584 -0.063 0.000 1.176 818 A CA 1.622 53.646 52.037 -0.022 0.000 0.631 818 A CB -0.583 18.407 19.000 -0.017 0.000 0.814 818 A HN 0.517 nan 8.150 nan 0.000 0.446 819 Q N -1.944 117.797 119.800 -0.098 0.000 2.049 819 Q HA -0.152 4.182 4.340 -0.011 0.000 0.198 819 Q C 1.964 177.794 176.000 -0.284 0.000 0.971 819 Q CA 1.596 57.299 55.803 -0.166 0.000 0.833 819 Q CB -0.306 28.323 28.738 -0.180 0.000 0.896 819 Q HN 0.814 nan 8.270 nan 0.000 0.434 820 Y N 0.618 120.631 120.300 -0.478 0.000 2.114 820 Y HA -0.312 4.231 4.550 -0.011 0.000 0.282 820 Y C 2.474 177.814 175.900 -0.932 0.000 1.165 820 Y CA 1.352 58.908 58.100 -0.906 0.000 1.148 820 Y CB -0.467 37.129 38.460 -1.440 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.192 122.806 122.820 -0.342 0.000 1.883 821 A HA -0.226 4.088 4.320 -0.011 0.000 0.217 821 A C 2.233 179.844 177.584 0.046 0.000 1.186 821 A CA 2.066 54.154 52.037 0.085 0.000 0.624 821 A CB -0.546 18.572 19.000 0.197 0.000 0.822 821 A HN 0.441 nan 8.150 nan 0.000 0.444 822 R N -0.867 119.614 120.500 -0.032 0.000 2.100 822 R HA 0.005 4.338 4.340 -0.011 0.000 0.220 822 R C 1.778 178.058 176.300 -0.034 0.000 1.091 822 R CA 1.382 57.473 56.100 -0.015 0.000 0.986 822 R CB -0.117 30.168 30.300 -0.024 0.000 0.888 822 R HN 0.646 nan 8.270 nan 0.000 0.444 823 E N -0.499 119.640 120.200 -0.102 0.000 2.415 823 E HA 0.106 4.450 4.350 -0.011 0.000 0.197 823 E C 1.392 177.944 176.600 -0.081 0.000 1.007 823 E CA 0.406 56.748 56.400 -0.097 0.000 0.890 823 E CB 0.584 30.198 29.700 -0.144 0.000 0.891 823 E HN 0.270 nan 8.360 nan 0.000 0.496 824 I N -1.164 119.324 120.570 -0.135 0.000 3.739 824 I HA 0.023 4.187 4.170 -0.011 0.000 0.272 824 I C 1.292 177.545 176.117 0.227 0.000 1.167 824 I CA -0.057 61.223 61.300 -0.033 0.000 1.386 824 I CB 0.266 38.104 38.000 -0.270 0.000 1.490 824 I HN 0.113 nan 8.210 nan 0.000 0.452 825 W N 1.492 122.885 121.300 0.155 0.000 2.737 825 W HA 0.327 4.981 4.660 -0.011 0.000 0.262 825 W C 1.502 178.060 176.519 0.065 0.000 1.282 825 W CA 0.786 58.206 57.345 0.125 0.000 1.386 825 W CB -1.051 28.471 29.460 0.104 0.000 1.099 825 W HN 0.314 nan 8.180 nan 0.000 0.621 826 G N 1.259 110.201 108.800 0.236 0.000 2.272 826 G HA2 -0.121 3.832 3.960 -0.011 0.000 0.280 826 G HA3 -0.121 3.832 3.960 -0.011 0.000 0.280 826 G C -0.286 174.688 174.900 0.124 0.000 1.067 826 G CA 0.291 45.470 45.100 0.133 0.000 0.902 826 G HN 0.394 nan 8.290 nan 0.000 0.500 827 V N -4.217 115.792 119.914 0.157 0.000 2.876 827 V HA 0.900 5.013 4.120 -0.011 0.000 0.312 827 V C -0.311 175.845 176.094 0.103 0.000 1.085 827 V CA -1.703 60.669 62.300 0.120 0.000 0.945 827 V CB 2.340 34.241 31.823 0.129 0.000 1.017 827 V HN 0.130 nan 8.190 nan 0.000 0.428 828 E N 3.937 124.179 120.200 0.071 0.000 2.174 828 E HA 0.500 4.844 4.350 -0.011 0.000 0.282 828 E C -2.465 174.172 176.600 0.061 0.000 0.992 828 E CA -1.723 54.712 56.400 0.058 0.000 0.803 828 E CB 1.767 31.492 29.700 0.042 0.000 1.090 828 E HN 0.739 nan 8.360 nan 0.000 0.396 829 P HA 0.066 nan 4.420 nan 0.000 0.270 829 P C -0.487 176.841 177.300 0.048 0.000 1.223 829 P CA -0.280 62.855 63.100 0.057 0.000 0.785 829 P CB 0.826 32.556 31.700 0.049 0.000 0.923 830 S N 0.663 116.393 115.700 0.050 0.000 2.575 830 S HA 0.322 4.786 4.470 -0.011 0.000 0.278 830 S C 0.355 174.979 174.600 0.041 0.000 1.139 830 S CA -0.753 57.474 58.200 0.046 0.000 0.954 830 S CB 0.932 64.167 63.200 0.057 0.000 1.054 830 S HN 0.267 nan 8.310 nan 0.000 0.483 831 R N 2.423 122.943 120.500 0.033 0.000 2.388 831 R HA 0.196 4.530 4.340 -0.011 0.000 0.247 831 R C -0.001 176.311 176.300 0.020 0.000 0.931 831 R CA 0.028 56.146 56.100 0.030 0.000 1.082 831 R CB 0.142 30.460 30.300 0.030 0.000 1.135 831 R HN 0.687 nan 8.270 nan 0.000 0.525 832 Q N 1.045 120.857 119.800 0.019 0.000 2.332 832 Q HA 0.119 4.453 4.340 -0.011 0.000 0.263 832 Q C -0.251 175.743 176.000 -0.010 0.000 0.979 832 Q CA 0.009 55.816 55.803 0.007 0.000 0.885 832 Q CB 1.005 29.751 28.738 0.013 0.000 1.218 832 Q HN -0.203 nan 8.270 nan 0.000 0.405 833 R N 1.532 122.016 120.500 -0.025 0.000 2.590 833 R HA 0.181 4.515 4.340 -0.011 0.000 0.274 833 R C -0.364 175.895 176.300 -0.069 0.000 1.061 833 R CA 0.100 56.172 56.100 -0.047 0.000 1.081 833 R CB 0.328 30.599 30.300 -0.049 0.000 0.984 833 R HN 0.487 nan 8.270 nan 0.000 0.448 834 L N 5.442 126.607 121.223 -0.097 0.000 2.418 834 L HA 0.360 4.693 4.340 -0.011 0.000 0.265 834 L C -1.675 175.133 176.870 -0.103 0.000 1.143 834 L CA -2.043 52.709 54.840 -0.147 0.000 0.809 834 L CB 0.961 42.902 42.059 -0.197 0.000 1.124 834 L HN 0.469 nan 8.230 nan 0.000 0.456 835 P HA 0.034 nan 4.420 nan 0.000 0.265 835 P C -0.506 176.762 177.300 -0.054 0.000 1.193 835 P CA -0.190 62.872 63.100 -0.063 0.000 0.765 835 P CB 0.687 32.354 31.700 -0.054 0.000 0.823 836 A N 0.000 122.797 122.820 -0.038 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.011 0.000 0.244 836 A CA 0.000 52.021 52.037 -0.026 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486