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 2g9q_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 FXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP XXXXFEGKEL 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 0.000 175.988 176.000 -0.020 0.000 1.003 12 Q CA 0.000 55.781 55.803 -0.036 0.000 1.022 12 Q CB 0.000 28.713 28.738 -0.041 0.000 1.108 13 I N -0.934 119.629 120.570 -0.011 0.000 2.924 13 I HA 0.561 4.721 4.170 -0.016 0.000 0.316 13 I C 0.903 177.023 176.117 0.006 0.000 1.014 13 I CA -0.369 60.931 61.300 0.001 0.000 1.106 13 I CB 1.572 39.578 38.000 0.010 0.000 1.311 13 I HN 0.104 nan 8.210 nan 0.000 0.502 14 S N 1.184 116.894 115.700 0.016 0.000 2.461 14 S HA -0.052 4.408 4.470 -0.016 0.000 0.228 14 S C 1.460 176.075 174.600 0.025 0.000 1.005 14 S CA 1.004 59.215 58.200 0.019 0.000 0.942 14 S CB -0.380 62.836 63.200 0.026 0.000 0.776 14 S HN 0.633 nan 8.310 nan 0.000 0.514 15 V N -0.412 119.522 119.914 0.033 0.000 3.636 15 V HA 0.355 4.466 4.120 -0.016 0.000 0.279 15 V C 1.247 177.361 176.094 0.034 0.000 1.263 15 V CA 0.319 62.644 62.300 0.041 0.000 1.182 15 V CB -0.915 30.941 31.823 0.054 0.000 0.955 15 V HN 0.365 nan 8.190 nan 0.000 0.443 16 R N 0.516 121.025 120.500 0.015 0.000 2.453 16 R HA 0.591 4.921 4.340 -0.016 0.000 0.233 16 R C 0.993 177.284 176.300 -0.015 0.000 0.895 16 R CA 0.472 56.573 56.100 0.003 0.000 1.028 16 R CB 1.201 31.499 30.300 -0.005 0.000 1.255 16 R HN 0.667 nan 8.270 nan 0.000 0.571 17 G N 1.079 109.870 108.800 -0.015 0.000 2.362 17 G HA2 -0.091 3.859 3.960 -0.016 0.000 0.517 17 G HA3 -0.091 3.859 3.960 -0.016 0.000 0.517 17 G C -1.613 173.273 174.900 -0.023 0.000 1.256 17 G CA -1.080 44.003 45.100 -0.028 0.000 1.027 17 G HN -0.075 nan 8.290 nan 0.000 0.491 18 L N 0.803 122.010 121.223 -0.026 0.000 2.292 18 L HA 0.671 5.002 4.340 -0.016 0.000 0.284 18 L C 1.067 177.924 176.870 -0.021 0.000 1.065 18 L CA 0.081 54.908 54.840 -0.020 0.000 0.806 18 L CB 1.020 43.068 42.059 -0.018 0.000 1.175 18 L HN 1.357 nan 8.230 nan 0.000 0.431 19 A N 3.278 126.088 122.820 -0.017 0.000 2.880 19 A HA 0.595 4.905 4.320 -0.016 0.000 0.328 19 A C 0.791 178.371 177.584 -0.007 0.000 1.440 19 A CA -0.174 51.855 52.037 -0.014 0.000 1.068 19 A CB -0.145 18.846 19.000 -0.015 0.000 1.163 19 A HN 0.849 nan 8.150 nan 0.000 0.510 20 G N -0.144 108.653 108.800 -0.006 0.000 2.514 20 G HA2 0.338 4.288 3.960 -0.016 0.000 0.245 20 G HA3 0.338 4.288 3.960 -0.016 0.000 0.245 20 G C 0.816 175.719 174.900 0.005 0.000 1.488 20 G CA 0.470 45.570 45.100 -0.000 0.000 1.063 20 G HN 0.446 nan 8.290 nan 0.000 0.557 21 V N -1.044 118.875 119.914 0.008 0.000 2.690 21 V HA 0.091 4.201 4.120 -0.016 0.000 0.240 21 V C 2.550 178.653 176.094 0.015 0.000 1.078 21 V CA 1.378 63.684 62.300 0.011 0.000 1.102 21 V CB -0.146 31.683 31.823 0.010 0.000 0.800 21 V HN 0.546 nan 8.190 nan 0.000 0.479 22 E N 0.630 120.840 120.200 0.017 0.000 2.112 22 E HA -0.075 4.265 4.350 -0.016 0.000 0.190 22 E C 2.135 178.755 176.600 0.033 0.000 0.979 22 E CA 0.759 57.174 56.400 0.024 0.000 0.814 22 E CB -0.195 29.519 29.700 0.023 0.000 0.762 22 E HN 0.413 nan 8.360 nan 0.000 0.460 23 N N 0.018 118.736 118.700 0.029 0.000 2.058 23 N HA -0.137 4.593 4.740 -0.016 0.000 0.191 23 N C 1.834 177.363 175.510 0.032 0.000 1.037 23 N CA 1.291 54.360 53.050 0.033 0.000 0.848 23 N CB -0.260 38.231 38.487 0.008 0.000 1.021 23 N HN 0.027 nan 8.380 nan 0.000 0.422 24 V N 1.095 121.021 119.914 0.020 0.000 2.295 24 V HA -0.199 3.911 4.120 -0.016 0.000 0.246 24 V C 2.292 178.402 176.094 0.026 0.000 1.049 24 V CA 1.763 64.073 62.300 0.018 0.000 1.024 24 V CB -0.962 30.868 31.823 0.013 0.000 0.648 24 V HN 0.345 nan 8.190 nan 0.000 0.447 25 T N -0.721 113.850 114.554 0.028 0.000 2.746 25 T HA -0.211 4.129 4.350 -0.016 0.000 0.267 25 T C 1.950 176.679 174.700 0.048 0.000 1.039 25 T CA 1.777 63.895 62.100 0.031 0.000 1.142 25 T CB -0.199 68.683 68.868 0.025 0.000 0.866 25 T HN 0.404 nan 8.240 nan 0.000 0.444 26 E N 0.722 120.958 120.200 0.060 0.000 2.152 26 E HA 0.081 4.422 4.350 -0.016 0.000 0.192 26 E C 2.038 178.711 176.600 0.121 0.000 0.983 26 E CA 0.581 57.032 56.400 0.084 0.000 0.818 26 E CB -0.414 29.341 29.700 0.091 0.000 0.758 26 E HN 0.428 nan 8.360 nan 0.000 0.467 27 L N 0.051 121.346 121.223 0.119 0.000 2.093 27 L HA -0.163 4.168 4.340 -0.016 0.000 0.208 27 L C 2.272 179.241 176.870 0.165 0.000 1.085 27 L CA 1.230 56.160 54.840 0.151 0.000 0.755 27 L CB -0.255 41.859 42.059 0.093 0.000 0.904 27 L HN 0.071 nan 8.230 nan 0.000 0.435 28 K N 0.516 120.978 120.400 0.104 0.000 2.057 28 K HA -0.196 4.114 4.320 -0.016 0.000 0.207 28 K C 2.057 178.753 176.600 0.160 0.000 1.049 28 K CA 1.618 57.963 56.287 0.097 0.000 0.931 28 K CB -0.030 32.488 32.500 0.030 0.000 0.714 28 K HN 0.388 nan 8.250 nan 0.000 0.440 29 K N -0.083 120.394 120.400 0.128 0.000 2.296 29 K HA 0.008 4.318 4.320 -0.016 0.000 0.200 29 K C 1.393 178.078 176.600 0.141 0.000 1.048 29 K CA 0.917 57.274 56.287 0.116 0.000 0.966 29 K CB 0.032 32.574 32.500 0.070 0.000 0.754 29 K HN 0.050 nan 8.250 nan 0.000 0.466 30 N N 0.495 119.305 118.700 0.183 0.000 2.354 30 N HA -0.061 4.669 4.740 -0.016 0.000 0.179 30 N C 1.495 177.199 175.510 0.324 0.000 1.021 30 N CA 0.635 53.814 53.050 0.214 0.000 0.887 30 N CB -0.119 38.516 38.487 0.245 0.000 0.974 30 N HN 0.152 nan 8.380 nan 0.000 0.437 31 F N 2.921 122.980 119.950 0.182 0.000 2.075 31 F HA -0.123 4.395 4.527 -0.016 0.000 0.297 31 F C 2.099 177.999 175.800 0.166 0.000 1.113 31 F CA 1.391 59.498 58.000 0.180 0.000 1.218 31 F CB -0.242 38.825 39.000 0.113 0.000 0.984 31 F HN -0.024 nan 8.300 nan 0.000 0.472 32 N N 0.467 119.355 118.700 0.314 0.000 2.104 32 N HA -0.222 4.508 4.740 -0.016 0.000 0.190 32 N C 2.054 177.603 175.510 0.065 0.000 1.024 32 N CA 1.374 54.526 53.050 0.171 0.000 0.853 32 N CB -0.641 37.932 38.487 0.143 0.000 1.008 32 N HN 0.360 nan 8.380 nan 0.000 0.424 33 R N 0.345 120.895 120.500 0.083 0.000 2.083 33 R HA -0.135 4.196 4.340 -0.016 0.000 0.237 33 R C 1.831 178.160 176.300 0.049 0.000 1.137 33 R CA 1.602 57.773 56.100 0.120 0.000 0.951 33 R CB -0.188 30.145 30.300 0.054 0.000 0.851 33 R HN 0.402 nan 8.270 nan 0.000 0.434 34 H N -0.534 118.554 119.070 0.030 0.000 2.395 34 H HA -0.096 4.450 4.556 -0.016 0.000 0.299 34 H C 1.753 176.992 175.328 -0.149 0.000 1.070 34 H CA 1.353 57.355 56.048 -0.077 0.000 1.356 34 H CB 0.057 29.742 29.762 -0.129 0.000 1.401 34 H HN 0.143 nan 8.280 nan 0.000 0.524 35 L N -0.129 121.047 121.223 -0.079 0.000 1.994 35 L HA -0.154 4.176 4.340 -0.016 0.000 0.208 35 L C 2.119 178.927 176.870 -0.103 0.000 1.071 35 L CA 1.857 56.623 54.840 -0.123 0.000 0.745 35 L CB -0.676 41.309 42.059 -0.122 0.000 0.892 35 L HN 0.233 nan 8.230 nan 0.000 0.431 36 H N -1.271 117.658 119.070 -0.234 0.000 2.325 36 H HA -0.176 4.371 4.556 -0.016 0.000 0.296 36 H C 1.824 176.903 175.328 -0.416 0.000 1.053 36 H CA 3.039 58.826 56.048 -0.435 0.000 1.204 36 H CB -0.351 28.965 29.762 -0.743 0.000 1.383 36 H HN 0.344 nan 8.280 nan 0.000 0.532 37 F N -0.914 119.076 119.950 0.067 0.000 2.234 37 F HA -0.041 4.476 4.527 -0.016 0.000 0.296 37 F C 2.713 178.463 175.800 -0.084 0.000 1.089 37 F CA 1.267 59.256 58.000 -0.019 0.000 1.343 37 F CB -0.630 38.350 39.000 -0.033 0.000 1.040 37 F HN 0.171 nan 8.300 nan 0.000 0.498 38 T N 0.296 114.880 114.554 0.050 0.000 2.809 38 T HA 0.004 4.344 4.350 -0.016 0.000 0.260 38 T C 2.074 176.699 174.700 -0.125 0.000 1.039 38 T CA 0.985 63.046 62.100 -0.065 0.000 1.141 38 T CB -0.446 68.337 68.868 -0.141 0.000 0.869 38 T HN 0.140 nan 8.240 nan 0.000 0.437 39 L N 1.033 122.177 121.223 -0.133 0.000 2.375 39 L HA 0.153 4.484 4.340 -0.016 0.000 0.215 39 L C 0.349 177.136 176.870 -0.138 0.000 1.108 39 L CA -0.024 54.724 54.840 -0.152 0.000 0.830 39 L CB -0.109 41.861 42.059 -0.149 0.000 0.959 39 L HN 0.007 nan 8.230 nan 0.000 0.457 40 V N 0.853 120.683 119.914 -0.140 0.000 6.125 40 V HA -0.263 3.847 4.120 -0.016 0.000 0.281 40 V C -0.282 175.713 176.094 -0.165 0.000 0.591 40 V CA 0.983 63.188 62.300 -0.158 0.000 0.617 40 V CB -2.157 29.599 31.823 -0.112 0.000 0.336 40 V HN 0.426 nan 8.190 nan 0.000 0.650 41 K N 0.860 121.145 120.400 -0.192 0.000 2.533 41 K HA 0.758 5.068 4.320 -0.016 0.000 0.272 41 K C -0.539 175.954 176.600 -0.179 0.000 0.985 41 K CA -0.432 55.755 56.287 -0.166 0.000 0.876 41 K CB 2.817 35.226 32.500 -0.150 0.000 1.452 41 K HN 0.501 nan 8.250 nan 0.000 0.439 42 D N -1.176 119.149 120.400 -0.125 0.000 2.585 42 D HA 0.340 4.970 4.640 -0.016 0.000 0.254 42 D C 0.793 177.093 176.300 -0.001 0.000 1.067 42 D CA -0.768 53.191 54.000 -0.068 0.000 1.090 42 D CB 0.734 41.488 40.800 -0.077 0.000 1.408 42 D HN 0.184 nan 8.370 nan 0.000 0.554 43 R N 0.465 121.004 120.500 0.065 0.000 2.159 43 R HA -0.098 4.233 4.340 -0.016 0.000 0.237 43 R C 0.930 177.276 176.300 0.077 0.000 1.131 43 R CA 0.919 57.096 56.100 0.128 0.000 0.982 43 R CB -1.335 29.044 30.300 0.132 0.000 0.868 43 R HN 0.482 nan 8.270 nan 0.000 0.453 44 N N 0.999 119.716 118.700 0.028 0.000 2.135 44 N HA -0.095 4.635 4.740 -0.016 0.000 0.186 44 N C 1.815 177.320 175.510 -0.007 0.000 1.027 44 N CA 1.828 54.886 53.050 0.013 0.000 0.849 44 N CB -0.209 38.278 38.487 -0.000 0.000 1.002 44 N HN 0.315 nan 8.380 nan 0.000 0.425 45 V N -1.757 118.136 119.914 -0.034 0.000 3.649 45 V HA 0.462 4.572 4.120 -0.016 0.000 0.275 45 V C 0.823 176.860 176.094 -0.095 0.000 1.281 45 V CA -0.371 61.897 62.300 -0.054 0.000 1.143 45 V CB -0.865 30.923 31.823 -0.058 0.000 0.892 45 V HN 0.117 nan 8.190 nan 0.000 0.441 46 A N 2.485 125.226 122.820 -0.131 0.000 2.438 46 A HA 0.536 4.846 4.320 -0.016 0.000 0.280 46 A C 0.852 178.216 177.584 -0.367 0.000 1.160 46 A CA 0.577 52.425 52.037 -0.316 0.000 0.821 46 A CB -0.600 18.118 19.000 -0.470 0.000 1.101 46 A HN 0.753 nan 8.150 nan 0.000 0.515 47 T N 1.083 115.464 114.554 -0.289 0.000 2.874 47 T HA 0.444 4.784 4.350 -0.016 0.000 0.281 47 T C -1.830 172.753 174.700 -0.195 0.000 0.994 47 T CA -1.577 60.423 62.100 -0.166 0.000 1.015 47 T CB 0.784 69.602 68.868 -0.083 0.000 1.028 47 T HN 0.266 nan 8.240 nan 0.000 0.523 48 P HA -0.102 nan 4.420 nan 0.000 0.217 48 P C 1.634 179.035 177.300 0.169 0.000 1.148 48 P CA 0.944 64.160 63.100 0.192 0.000 0.828 48 P CB 0.023 31.820 31.700 0.161 0.000 0.783 49 R N 0.137 120.685 120.500 0.079 0.000 2.091 49 R HA -0.154 4.177 4.340 -0.016 0.000 0.238 49 R C 1.646 178.121 176.300 0.292 0.000 1.136 49 R CA 1.936 58.125 56.100 0.149 0.000 0.959 49 R CB -0.643 29.661 30.300 0.008 0.000 0.856 49 R HN 0.139 nan 8.270 nan 0.000 0.437 50 D N -0.400 120.050 120.400 0.084 0.000 2.144 50 D HA -0.199 4.431 4.640 -0.016 0.000 0.199 50 D C 1.781 178.122 176.300 0.067 0.000 0.984 50 D CA 1.286 55.301 54.000 0.027 0.000 0.834 50 D CB -0.388 40.291 40.800 -0.201 0.000 0.955 50 D HN 0.312 nan 8.370 nan 0.000 0.465 51 Y N 0.246 120.650 120.300 0.174 0.000 2.181 51 Y HA -0.207 4.333 4.550 -0.016 0.000 0.288 51 Y C 2.380 178.430 175.900 0.250 0.000 1.146 51 Y CA 0.249 58.505 58.100 0.260 0.000 1.164 51 Y CB -1.237 37.424 38.460 0.334 0.000 0.982 51 Y HN 0.087 nan 8.280 nan 0.000 0.515 52 Y N -0.534 119.920 120.300 0.257 0.000 2.128 52 Y HA -0.288 4.252 4.550 -0.016 0.000 0.284 52 Y C 1.984 177.866 175.900 -0.030 0.000 1.154 52 Y CA 1.406 59.554 58.100 0.080 0.000 1.149 52 Y CB -1.061 37.357 38.460 -0.070 0.000 0.976 52 Y HN 0.038 nan 8.280 nan 0.000 0.505 53 F N 0.084 119.881 119.950 -0.255 0.000 2.234 53 F HA -0.117 4.400 4.527 -0.016 0.000 0.299 53 F C 2.588 178.233 175.800 -0.258 0.000 1.087 53 F CA 1.194 58.982 58.000 -0.354 0.000 1.340 53 F CB -0.710 38.244 39.000 -0.076 0.000 1.031 53 F HN 0.208 nan 8.300 nan 0.000 0.500 54 A N -0.252 122.514 122.820 -0.091 0.000 1.898 54 A HA -0.141 4.170 4.320 -0.016 0.000 0.216 54 A C 2.042 179.484 177.584 -0.238 0.000 1.181 54 A CA 1.339 53.180 52.037 -0.326 0.000 0.620 54 A CB -0.963 17.503 19.000 -0.889 0.000 0.819 54 A HN 0.319 nan 8.150 nan 0.000 0.442 55 L N -0.029 121.210 121.223 0.027 0.000 1.994 55 L HA -0.057 4.274 4.340 -0.016 0.000 0.208 55 L C 2.706 179.536 176.870 -0.067 0.000 1.071 55 L CA 2.285 57.245 54.840 0.202 0.000 0.745 55 L CB -1.041 41.195 42.059 0.294 0.000 0.892 55 L HN 0.350 nan 8.230 nan 0.000 0.431 56 A N -1.302 121.301 122.820 -0.363 0.000 1.917 56 A HA -0.320 3.990 4.320 -0.016 0.000 0.219 56 A C 2.175 179.384 177.584 -0.626 0.000 1.182 56 A CA 2.207 53.896 52.037 -0.579 0.000 0.633 56 A CB -1.172 17.147 19.000 -1.134 0.000 0.819 56 A HN 0.711 nan 8.150 nan 0.000 0.448 57 H N -1.143 117.600 119.070 -0.545 0.000 2.389 57 H HA -0.051 4.495 4.556 -0.016 0.000 0.299 57 H C 2.340 177.307 175.328 -0.602 0.000 1.081 57 H CA 1.962 57.618 56.048 -0.653 0.000 1.345 57 H CB -0.077 29.159 29.762 -0.877 0.000 1.393 57 H HN 0.469 nan 8.280 nan 0.000 0.520 58 T N -0.503 113.902 114.554 -0.248 0.000 2.821 58 T HA -0.112 4.229 4.350 -0.016 0.000 0.267 58 T C 2.186 177.007 174.700 0.202 0.000 1.046 58 T CA 1.229 63.378 62.100 0.083 0.000 1.139 58 T CB -0.262 68.755 68.868 0.248 0.000 0.871 58 T HN 0.097 nan 8.240 nan 0.000 0.454 59 V N 1.351 121.348 119.914 0.139 0.000 2.488 59 V HA -0.050 4.060 4.120 -0.016 0.000 0.246 59 V C 2.590 178.841 176.094 0.261 0.000 1.046 59 V CA 1.264 63.689 62.300 0.209 0.000 1.053 59 V CB -0.575 31.367 31.823 0.200 0.000 0.679 59 V HN 0.351 nan 8.190 nan 0.000 0.458 60 R N 0.370 120.977 120.500 0.178 0.000 2.103 60 R HA -0.233 4.097 4.340 -0.016 0.000 0.242 60 R C 1.967 178.373 176.300 0.176 0.000 1.142 60 R CA 2.167 58.376 56.100 0.182 0.000 0.960 60 R CB -0.437 29.819 30.300 -0.074 0.000 0.858 60 R HN 0.475 nan 8.270 nan 0.000 0.439 61 D N -0.237 120.257 120.400 0.157 0.000 2.158 61 D HA -0.191 4.439 4.640 -0.016 0.000 0.197 61 D C 1.797 178.113 176.300 0.026 0.000 0.995 61 D CA 1.325 55.390 54.000 0.108 0.000 0.846 61 D CB -0.405 40.455 40.800 0.100 0.000 0.941 61 D HN 0.524 nan 8.370 nan 0.000 0.456 62 H N -0.306 118.825 119.070 0.101 0.000 2.470 62 H HA 0.067 4.614 4.556 -0.016 0.000 0.289 62 H C 2.426 177.797 175.328 0.072 0.000 1.033 62 H CA 0.196 56.290 56.048 0.076 0.000 1.331 62 H CB 0.264 30.061 29.762 0.058 0.000 1.414 62 H HN 0.158 nan 8.280 nan 0.000 0.545 63 L N 0.847 122.189 121.223 0.198 0.000 1.976 63 L HA -0.174 4.157 4.340 -0.016 0.000 0.209 63 L C 2.889 179.868 176.870 0.181 0.000 1.071 63 L CA 1.394 56.310 54.840 0.126 0.000 0.746 63 L CB -0.385 41.726 42.059 0.087 0.000 0.890 63 L HN 0.166 nan 8.230 nan 0.000 0.432 64 V N -1.989 118.073 119.914 0.247 0.000 2.469 64 V HA -0.170 3.940 4.120 -0.016 0.000 0.251 64 V C 2.219 178.443 176.094 0.218 0.000 1.064 64 V CA 1.999 64.511 62.300 0.353 0.000 1.066 64 V CB -1.662 30.347 31.823 0.309 0.000 0.667 64 V HN 0.476 nan 8.190 nan 0.000 0.461 65 G N 0.107 108.981 108.800 0.124 0.000 2.418 65 G HA2 -0.211 3.740 3.960 -0.016 0.000 0.217 65 G HA3 -0.211 3.740 3.960 -0.016 0.000 0.217 65 G C 1.778 176.723 174.900 0.074 0.000 1.158 65 G CA 0.902 46.041 45.100 0.065 0.000 0.771 65 G HN 0.547 nan 8.290 nan 0.000 0.545 66 R N -1.567 118.992 120.500 0.098 0.000 2.093 66 R HA -0.001 4.330 4.340 -0.016 0.000 0.224 66 R C 2.225 178.599 176.300 0.124 0.000 1.101 66 R CA 0.720 56.863 56.100 0.072 0.000 0.979 66 R CB -0.334 29.991 30.300 0.042 0.000 0.877 66 R HN 0.436 nan 8.270 nan 0.000 0.441 67 W N 1.905 123.177 121.300 -0.047 0.000 2.317 67 W HA -0.152 4.499 4.660 -0.016 0.000 0.318 67 W C 1.677 178.157 176.519 -0.065 0.000 1.227 67 W CA 1.139 58.450 57.345 -0.057 0.000 1.269 67 W CB -0.678 28.769 29.460 -0.022 0.000 1.155 67 W HN -0.035 nan 8.180 nan 0.000 0.484 68 I N 0.611 121.209 120.570 0.047 0.000 2.163 68 I HA -0.382 3.778 4.170 -0.016 0.000 0.243 68 I C 2.611 178.693 176.117 -0.058 0.000 1.085 68 I CA 1.600 62.848 61.300 -0.088 0.000 1.347 68 I CB -0.619 37.341 38.000 -0.068 0.000 1.044 68 I HN -0.061 nan 8.210 nan 0.000 0.408 69 R N 0.234 120.723 120.500 -0.020 0.000 2.092 69 R HA -0.084 4.247 4.340 -0.016 0.000 0.231 69 R C 2.228 178.490 176.300 -0.062 0.000 1.119 69 R CA 1.726 57.811 56.100 -0.025 0.000 0.970 69 R CB -1.230 29.061 30.300 -0.015 0.000 0.864 69 R HN 0.375 nan 8.270 nan 0.000 0.440 70 T N 2.002 116.488 114.554 -0.114 0.000 2.674 70 T HA -0.130 4.210 4.350 -0.016 0.000 0.265 70 T C 1.888 176.305 174.700 -0.470 0.000 1.039 70 T CA 1.200 63.109 62.100 -0.318 0.000 1.150 70 T CB -0.091 68.619 68.868 -0.264 0.000 0.864 70 T HN 0.176 nan 8.240 nan 0.000 0.427 71 Q N 0.989 120.652 119.800 -0.228 0.000 2.119 71 Q HA -0.041 4.289 4.340 -0.016 0.000 0.201 71 Q C 2.353 178.349 176.000 -0.008 0.000 0.972 71 Q CA 1.208 56.953 55.803 -0.096 0.000 0.847 71 Q CB -0.521 28.182 28.738 -0.059 0.000 0.903 71 Q HN 0.606 nan 8.270 nan 0.000 0.433 72 Q N -0.197 119.584 119.800 -0.032 0.000 2.045 72 Q HA -0.251 4.079 4.340 -0.016 0.000 0.206 72 Q C 2.061 178.121 176.000 0.101 0.000 0.991 72 Q CA 1.976 57.798 55.803 0.032 0.000 0.851 72 Q CB -0.202 28.541 28.738 0.009 0.000 0.911 72 Q HN 0.546 nan 8.270 nan 0.000 0.418 73 H N -1.217 117.821 119.070 -0.054 0.000 2.319 73 H HA -0.213 4.333 4.556 -0.016 0.000 0.297 73 H C 1.485 176.887 175.328 0.123 0.000 1.097 73 H CA 2.264 58.300 56.048 -0.020 0.000 1.285 73 H CB -0.103 29.588 29.762 -0.119 0.000 1.368 73 H HN 0.337 nan 8.280 nan 0.000 0.495 74 Y N -1.172 119.244 120.300 0.193 0.000 2.333 74 Y HA -0.186 4.354 4.550 -0.016 0.000 0.290 74 Y C 2.317 178.291 175.900 0.123 0.000 1.144 74 Y CA 0.856 59.042 58.100 0.143 0.000 1.228 74 Y CB -1.173 37.395 38.460 0.179 0.000 0.985 74 Y HN 0.366 nan 8.280 nan 0.000 0.542 75 Y N 1.189 121.577 120.300 0.147 0.000 2.181 75 Y HA -0.183 4.358 4.550 -0.016 0.000 0.288 75 Y C 2.165 178.068 175.900 0.006 0.000 1.146 75 Y CA 1.527 59.665 58.100 0.063 0.000 1.164 75 Y CB -0.035 38.445 38.460 0.034 0.000 0.982 75 Y HN 0.033 nan 8.280 nan 0.000 0.515 76 E N 0.091 120.303 120.200 0.019 0.000 2.015 76 E HA -0.148 4.192 4.350 -0.016 0.000 0.191 76 E C 2.026 178.544 176.600 -0.137 0.000 0.991 76 E CA 1.152 57.495 56.400 -0.096 0.000 0.802 76 E CB -0.227 29.411 29.700 -0.103 0.000 0.759 76 E HN 0.317 nan 8.360 nan 0.000 0.447 77 K N 0.782 121.091 120.400 -0.153 0.000 2.288 77 K HA -0.084 4.227 4.320 -0.016 0.000 0.201 77 K C 0.073 176.637 176.600 -0.061 0.000 1.048 77 K CA 0.502 56.719 56.287 -0.118 0.000 0.956 77 K CB -0.392 32.028 32.500 -0.134 0.000 0.746 77 K HN 0.110 nan 8.250 nan 0.000 0.461 78 D N 0.737 121.112 120.400 -0.042 0.000 2.735 78 D HA -0.110 4.521 4.640 -0.016 0.000 0.235 78 D C -2.393 173.892 176.300 -0.026 0.000 1.175 78 D CA 0.099 54.074 54.000 -0.043 0.000 0.683 78 D CB -0.136 40.602 40.800 -0.103 0.000 1.008 78 D HN 0.170 nan 8.370 nan 0.000 0.416 79 P HA 0.146 nan 4.420 nan 0.000 0.278 79 P C -0.309 176.957 177.300 -0.057 0.000 1.266 79 P CA -0.693 62.383 63.100 -0.039 0.000 0.807 79 P CB 0.705 32.366 31.700 -0.065 0.000 1.094 80 K N 1.278 121.648 120.400 -0.050 0.000 2.447 80 K HA 0.032 4.342 4.320 -0.016 0.000 0.281 80 K C -0.105 176.421 176.600 -0.123 0.000 1.031 80 K CA 0.102 56.352 56.287 -0.061 0.000 1.019 80 K CB 0.135 32.617 32.500 -0.030 0.000 0.918 80 K HN 0.246 nan 8.250 nan 0.000 0.476 81 R N 4.317 124.731 120.500 -0.143 0.000 2.294 81 R HA 0.332 4.662 4.340 -0.016 0.000 0.319 81 R C -0.521 175.525 176.300 -0.423 0.000 0.984 81 R CA -0.470 55.477 56.100 -0.256 0.000 0.861 81 R CB 0.804 30.993 30.300 -0.186 0.000 1.104 81 R HN 0.527 nan 8.270 nan 0.000 0.451 82 I N 4.246 124.507 120.570 -0.515 0.000 2.353 82 I HA 0.231 4.391 4.170 -0.016 0.000 0.293 82 I C -0.533 175.224 176.117 -0.600 0.000 0.992 82 I CA -0.658 60.280 61.300 -0.604 0.000 1.268 82 I CB 0.901 38.451 38.000 -0.751 0.000 1.387 82 I HN 0.540 nan 8.210 nan 0.000 0.478 83 Y N 5.496 125.739 120.300 -0.095 0.000 2.338 83 Y HA 0.323 4.863 4.550 -0.016 0.000 0.328 83 Y C -0.444 175.545 175.900 0.149 0.000 0.965 83 Y CA -0.728 57.437 58.100 0.108 0.000 1.208 83 Y CB 1.381 39.858 38.460 0.028 0.000 1.132 83 Y HN 0.407 nan 8.280 nan 0.000 0.469 84 Y N 4.423 124.894 120.300 0.284 0.000 2.385 84 Y HA 0.568 5.108 4.550 -0.016 0.000 0.341 84 Y C -1.456 174.696 175.900 0.421 0.000 0.965 84 Y CA -0.991 57.282 58.100 0.289 0.000 1.180 84 Y CB 0.518 39.143 38.460 0.276 0.000 1.139 84 Y HN 0.536 nan 8.280 nan 0.000 0.502 85 L N 5.280 126.522 121.223 0.033 0.000 2.280 85 L HA 0.533 4.863 4.340 -0.016 0.000 0.287 85 L C -0.399 176.469 176.870 -0.003 0.000 1.023 85 L CA -0.024 54.912 54.840 0.161 0.000 0.819 85 L CB 1.514 43.648 42.059 0.125 0.000 1.212 85 L HN 0.581 nan 8.230 nan 0.000 0.420 86 S N 2.616 118.381 115.700 0.109 0.000 2.546 86 S HA 0.560 5.020 4.470 -0.016 0.000 0.274 86 S C 0.112 174.759 174.600 0.078 0.000 1.121 86 S CA -0.500 57.651 58.200 -0.080 0.000 0.887 86 S CB 1.099 64.019 63.200 -0.467 0.000 1.094 86 S HN 0.488 nan 8.310 nan 0.000 0.474 87 L N 2.660 123.973 121.223 0.150 0.000 2.629 87 L HA 0.480 4.811 4.340 -0.016 0.000 0.230 87 L C 0.392 177.433 176.870 0.284 0.000 1.151 87 L CA 0.669 55.673 54.840 0.273 0.000 0.924 87 L CB -0.041 42.184 42.059 0.277 0.000 1.137 87 L HN 0.626 nan 8.230 nan 0.000 0.457 88 E N -0.672 119.548 120.200 0.033 0.000 2.287 88 E HA 0.329 4.670 4.350 -0.016 0.000 0.274 88 E C -1.447 174.992 176.600 -0.268 0.000 0.896 88 E CA -0.363 56.033 56.400 -0.006 0.000 0.788 88 E CB 1.527 31.187 29.700 -0.067 0.000 1.244 88 E HN -0.115 nan 8.360 nan 0.000 0.408 89 F N 2.891 122.934 119.950 0.155 0.000 2.646 89 F HA 0.213 4.730 4.527 -0.016 0.000 0.364 89 F C -0.633 175.254 175.800 0.144 0.000 1.137 89 F CA -0.692 57.390 58.000 0.137 0.000 1.085 89 F CB 0.894 39.965 39.000 0.118 0.000 1.331 89 F HN 0.475 nan 8.300 nan 0.000 0.472 90 Y N 5.243 125.604 120.300 0.103 0.000 2.724 90 Y HA 0.239 4.779 4.550 -0.016 0.000 0.332 90 Y C 0.934 176.842 175.900 0.013 0.000 1.276 90 Y CA -1.171 56.941 58.100 0.021 0.000 1.597 90 Y CB 0.340 38.795 38.460 -0.010 0.000 1.584 90 Y HN 0.539 nan 8.280 nan 0.000 0.478 91 M N 1.106 120.776 119.600 0.117 0.000 2.419 91 M HA 0.103 4.574 4.480 -0.016 0.000 0.264 91 M C 1.569 177.789 176.300 -0.134 0.000 1.082 91 M CA 0.974 56.264 55.300 -0.017 0.000 1.119 91 M CB -1.197 31.385 32.600 -0.031 0.000 1.398 91 M HN 0.663 nan 8.290 nan 0.000 0.453 92 G N 1.435 110.130 108.800 -0.174 0.000 2.575 92 G HA2 -0.288 3.662 3.960 -0.016 0.000 0.267 92 G HA3 -0.288 3.662 3.960 -0.016 0.000 0.267 92 G C -0.176 174.634 174.900 -0.150 0.000 1.264 92 G CA -0.213 44.760 45.100 -0.211 0.000 0.935 92 G HN 0.451 nan 8.290 nan 0.000 0.568 93 R N -0.896 119.510 120.500 -0.158 0.000 2.560 93 R HA 0.577 4.908 4.340 -0.016 0.000 0.270 93 R C 1.050 177.226 176.300 -0.208 0.000 1.074 93 R CA 0.243 56.275 56.100 -0.115 0.000 1.140 93 R CB 0.753 31.002 30.300 -0.086 0.000 1.073 93 R HN 0.518 nan 8.270 nan 0.000 0.527 94 T N 0.959 115.352 114.554 -0.268 0.000 2.969 94 T HA 0.002 4.343 4.350 -0.016 0.000 0.250 94 T C 1.407 175.751 174.700 -0.593 0.000 1.021 94 T CA -0.132 61.604 62.100 -0.607 0.000 1.003 94 T CB 0.175 68.306 68.868 -1.227 0.000 1.040 94 T HN 0.325 nan 8.240 nan 0.000 0.492 95 L N 1.723 122.830 121.223 -0.193 0.000 1.994 95 L HA 0.025 4.356 4.340 -0.016 0.000 0.208 95 L C 2.461 179.303 176.870 -0.046 0.000 1.071 95 L CA 1.952 56.819 54.840 0.046 0.000 0.745 95 L CB -0.518 41.759 42.059 0.363 0.000 0.892 95 L HN 0.142 nan 8.230 nan 0.000 0.431 96 Q N -0.682 119.083 119.800 -0.057 0.000 2.079 96 Q HA -0.238 4.092 4.340 -0.016 0.000 0.200 96 Q C 2.192 178.121 176.000 -0.119 0.000 0.974 96 Q CA 1.677 57.438 55.803 -0.069 0.000 0.840 96 Q CB -0.273 28.423 28.738 -0.071 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.430 97 N N -0.833 117.757 118.700 -0.183 0.000 2.149 97 N HA -0.147 4.584 4.740 -0.016 0.000 0.188 97 N C 1.331 176.733 175.510 -0.180 0.000 1.019 97 N CA 1.760 54.691 53.050 -0.198 0.000 0.857 97 N CB 0.115 38.447 38.487 -0.258 0.000 0.997 97 N HN 0.196 nan 8.380 nan 0.000 0.426 98 T N 1.044 115.459 114.554 -0.233 0.000 2.812 98 T HA -0.025 4.315 4.350 -0.016 0.000 0.264 98 T C 2.051 176.688 174.700 -0.106 0.000 1.042 98 T CA 0.895 62.870 62.100 -0.208 0.000 1.140 98 T CB -0.038 68.640 68.868 -0.317 0.000 0.870 98 T HN 0.247 nan 8.240 nan 0.000 0.445 99 M N 0.548 120.103 119.600 -0.074 0.000 2.117 99 M HA -0.082 4.389 4.480 -0.016 0.000 0.262 99 M C 2.443 178.711 176.300 -0.053 0.000 1.065 99 M CA 1.252 56.524 55.300 -0.047 0.000 1.114 99 M CB -0.497 32.090 32.600 -0.022 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 0.807 120.695 119.914 -0.043 0.000 2.261 100 V HA -0.266 3.845 4.120 -0.016 0.000 0.246 100 V C 1.798 177.896 176.094 0.008 0.000 1.047 100 V CA 1.895 64.193 62.300 -0.002 0.000 1.015 100 V CB -0.871 30.958 31.823 0.010 0.000 0.642 100 V HN 0.462 nan 8.190 nan 0.000 0.446 101 N N -0.108 118.590 118.700 -0.004 0.000 2.364 101 N HA -0.082 4.648 4.740 -0.016 0.000 0.183 101 N C 1.181 176.592 175.510 -0.164 0.000 1.022 101 N CA 0.941 53.967 53.050 -0.040 0.000 0.883 101 N CB -0.216 38.263 38.487 -0.015 0.000 0.965 101 N HN 0.299 nan 8.380 nan 0.000 0.438 102 L N -0.352 120.797 121.223 -0.123 0.000 2.585 102 L HA 0.389 4.719 4.340 -0.016 0.000 0.226 102 L C 0.479 177.271 176.870 -0.129 0.000 1.113 102 L CA -0.090 54.679 54.840 -0.119 0.000 0.876 102 L CB -0.633 41.382 42.059 -0.074 0.000 1.072 102 L HN 0.099 nan 8.230 nan 0.000 0.468 103 A N -0.304 122.440 122.820 -0.128 0.000 2.815 103 A HA -0.175 4.136 4.320 -0.016 0.000 0.292 103 A C 0.741 178.271 177.584 -0.090 0.000 1.457 103 A CA 0.651 52.623 52.037 -0.109 0.000 0.735 103 A CB -1.888 17.035 19.000 -0.128 0.000 1.056 103 A HN 0.163 nan 8.150 nan 0.000 0.474 104 L N -0.739 120.434 121.223 -0.084 0.000 2.966 104 L HA 0.285 4.615 4.340 -0.016 0.000 0.262 104 L C 1.747 178.581 176.870 -0.060 0.000 1.165 104 L CA 1.372 56.156 54.840 -0.094 0.000 0.978 104 L CB -0.108 41.873 42.059 -0.131 0.000 1.337 104 L HN 0.672 nan 8.230 nan 0.000 0.563 105 E N -0.080 120.094 120.200 -0.044 0.000 2.077 105 E HA -0.194 4.146 4.350 -0.016 0.000 0.193 105 E C 1.388 177.974 176.600 -0.024 0.000 0.989 105 E CA 1.350 57.734 56.400 -0.027 0.000 0.800 105 E CB 0.365 30.052 29.700 -0.022 0.000 0.746 105 E HN 0.421 nan 8.360 nan 0.000 0.452 106 N N 0.261 118.944 118.700 -0.027 0.000 2.216 106 N HA -0.083 4.647 4.740 -0.016 0.000 0.183 106 N C 1.612 177.108 175.510 -0.024 0.000 1.017 106 N CA 1.132 54.167 53.050 -0.025 0.000 0.861 106 N CB -0.390 38.082 38.487 -0.025 0.000 0.986 106 N HN 0.183 nan 8.380 nan 0.000 0.428 107 A N 0.722 123.524 122.820 -0.029 0.000 1.902 107 A HA -0.147 4.163 4.320 -0.016 0.000 0.217 107 A C 2.607 180.179 177.584 -0.021 0.000 1.181 107 A CA 1.302 53.323 52.037 -0.026 0.000 0.623 107 A CB -1.034 17.941 19.000 -0.042 0.000 0.818 107 A HN 0.417 nan 8.150 nan 0.000 0.443 108 C N -0.857 118.428 119.300 -0.024 0.000 2.440 108 C HA -0.069 4.382 4.460 -0.016 0.000 0.278 108 C C 2.487 177.470 174.990 -0.012 0.000 1.295 108 C CA 1.052 60.062 59.018 -0.013 0.000 1.738 108 C CB -1.035 26.705 27.740 0.000 0.000 1.987 108 C HN 0.662 nan 8.230 nan 0.000 0.492 109 D N 0.554 120.950 120.400 -0.007 0.000 2.097 109 D HA -0.127 4.504 4.640 -0.016 0.000 0.197 109 D C 2.148 178.462 176.300 0.023 0.000 0.984 109 D CA 1.369 55.369 54.000 0.000 0.000 0.826 109 D CB -0.242 40.549 40.800 -0.014 0.000 0.973 109 D HN 0.400 nan 8.370 nan 0.000 0.460 110 E N 0.648 120.858 120.200 0.016 0.000 2.077 110 E HA -0.089 4.251 4.350 -0.016 0.000 0.193 110 E C 1.857 178.501 176.600 0.074 0.000 0.989 110 E CA 1.592 58.028 56.400 0.059 0.000 0.800 110 E CB -0.516 29.200 29.700 0.026 0.000 0.746 110 E HN 0.224 nan 8.360 nan 0.000 0.452 111 A N -0.275 122.550 122.820 0.009 0.000 1.902 111 A HA -0.177 4.133 4.320 -0.016 0.000 0.217 111 A C 2.443 179.955 177.584 -0.120 0.000 1.181 111 A CA 2.617 54.631 52.037 -0.039 0.000 0.623 111 A CB -1.237 17.741 19.000 -0.036 0.000 0.818 111 A HN 0.492 nan 8.150 nan 0.000 0.443 112 T N -3.713 110.765 114.554 -0.128 0.000 2.942 112 T HA -0.158 4.182 4.350 -0.016 0.000 0.265 112 T C 1.824 176.435 174.700 -0.148 0.000 1.062 112 T CA 1.351 63.310 62.100 -0.236 0.000 1.139 112 T CB -0.552 68.204 68.868 -0.187 0.000 0.883 112 T HN 0.460 nan 8.240 nan 0.000 0.468 113 Y N 2.354 122.570 120.300 -0.140 0.000 2.097 113 Y HA -0.116 4.425 4.550 -0.015 0.000 0.282 113 Y C 2.533 178.369 175.900 -0.106 0.000 1.152 113 Y CA 1.566 59.603 58.100 -0.104 0.000 1.136 113 Y CB -0.695 37.723 38.460 -0.069 0.000 0.975 113 Y HN 0.203 nan 8.280 nan 0.000 0.498 114 Q N -0.739 118.911 119.800 -0.251 0.000 2.515 114 Q HA -0.139 4.191 4.340 -0.016 0.000 0.215 114 Q C 0.952 176.779 176.000 -0.288 0.000 0.983 114 Q CA 0.765 56.385 55.803 -0.304 0.000 0.905 114 Q CB -0.088 28.582 28.738 -0.112 0.000 0.961 114 Q HN 0.372 nan 8.270 nan 0.000 0.503 115 L N -1.570 119.474 121.223 -0.299 0.000 2.693 115 L HA 0.242 4.572 4.340 -0.016 0.000 0.235 115 L C 1.001 177.700 176.870 -0.285 0.000 1.127 115 L CA 0.798 55.468 54.840 -0.284 0.000 0.914 115 L CB 0.324 42.156 42.059 -0.378 0.000 1.193 115 L HN 0.202 nan 8.230 nan 0.000 0.502 116 G N 0.372 108.990 108.800 -0.302 0.000 2.182 116 G HA2 -0.246 3.704 3.960 -0.016 0.000 0.248 116 G HA3 -0.246 3.704 3.960 -0.016 0.000 0.248 116 G C -0.032 174.751 174.900 -0.196 0.000 1.042 116 G CA 0.275 45.233 45.100 -0.236 0.000 0.775 116 G HN 0.260 nan 8.290 nan 0.000 0.501 117 L N -0.076 121.027 121.223 -0.201 0.000 2.362 117 L HA 0.603 4.934 4.340 -0.016 0.000 0.271 117 L C -0.497 176.349 176.870 -0.041 0.000 1.002 117 L CA -1.184 53.562 54.840 -0.157 0.000 0.818 117 L CB 1.941 43.837 42.059 -0.272 0.000 1.298 117 L HN 0.109 nan 8.230 nan 0.000 0.420 118 D N 2.239 122.641 120.400 0.003 0.000 2.274 118 D HA 0.196 4.827 4.640 -0.016 0.000 0.239 118 D C 0.506 176.831 176.300 0.043 0.000 1.104 118 D CA -0.249 53.775 54.000 0.040 0.000 0.840 118 D CB 1.683 42.512 40.800 0.049 0.000 1.100 118 D HN 0.518 nan 8.370 nan 0.000 0.477 119 M N 3.157 122.781 119.600 0.040 0.000 2.099 119 M HA -0.098 4.372 4.480 -0.016 0.000 0.262 119 M C 1.486 177.825 176.300 0.065 0.000 1.067 119 M CA 1.355 56.688 55.300 0.054 0.000 1.124 119 M CB 0.160 32.784 32.600 0.039 0.000 1.353 119 M HN 0.458 nan 8.290 nan 0.000 0.410 120 E N -0.082 120.147 120.200 0.048 0.000 2.130 120 E HA -0.290 4.050 4.350 -0.016 0.000 0.196 120 E C 1.821 178.453 176.600 0.054 0.000 0.998 120 E CA 1.602 58.029 56.400 0.045 0.000 0.806 120 E CB -0.177 29.544 29.700 0.035 0.000 0.738 120 E HN 0.614 nan 8.360 nan 0.000 0.459 121 E N 0.281 120.518 120.200 0.062 0.000 2.106 121 E HA -0.197 4.143 4.350 -0.016 0.000 0.192 121 E C 1.890 178.537 176.600 0.079 0.000 0.984 121 E CA 0.560 57.000 56.400 0.067 0.000 0.806 121 E CB 0.176 29.918 29.700 0.070 0.000 0.750 121 E HN 0.092 nan 8.360 nan 0.000 0.458 122 L N 1.413 122.703 121.223 0.111 0.000 2.056 122 L HA -0.105 4.225 4.340 -0.016 0.000 0.207 122 L C 2.079 179.027 176.870 0.130 0.000 1.078 122 L CA 1.628 56.570 54.840 0.170 0.000 0.749 122 L CB -0.757 41.447 42.059 0.241 0.000 0.901 122 L HN 0.132 nan 8.230 nan 0.000 0.433 123 E N -0.584 119.680 120.200 0.106 0.000 2.160 123 E HA -0.211 4.129 4.350 -0.016 0.000 0.195 123 E C 1.743 178.319 176.600 -0.040 0.000 0.991 123 E CA 0.994 57.431 56.400 0.060 0.000 0.810 123 E CB 0.033 29.762 29.700 0.048 0.000 0.742 123 E HN 0.414 nan 8.360 nan 0.000 0.466 124 E N -0.035 120.150 120.200 -0.025 0.000 2.482 124 E HA -0.074 4.266 4.350 -0.016 0.000 0.196 124 E C 1.726 178.275 176.600 -0.085 0.000 1.047 124 E CA 0.469 56.852 56.400 -0.028 0.000 0.869 124 E CB 0.175 29.893 29.700 0.029 0.000 0.836 124 E HN 0.423 nan 8.360 nan 0.000 0.520 125 I N 0.598 121.053 120.570 -0.191 0.000 2.852 125 I HA -0.061 4.099 4.170 -0.016 0.000 0.264 125 I C 1.285 177.110 176.117 -0.486 0.000 1.179 125 I CA 0.091 61.218 61.300 -0.289 0.000 1.480 125 I CB 0.176 38.012 38.000 -0.274 0.000 1.111 125 I HN -0.062 nan 8.210 nan 0.000 0.441 126 E N 3.209 122.995 120.200 -0.690 0.000 2.415 126 E HA -0.044 4.296 4.350 -0.016 0.000 0.260 126 E C -0.206 176.308 176.600 -0.144 0.000 1.016 126 E CA -0.095 55.988 56.400 -0.529 0.000 0.924 126 E CB 0.555 30.068 29.700 -0.312 0.000 0.961 126 E HN 0.132 nan 8.360 nan 0.000 0.459 127 E N 3.639 123.836 120.200 -0.005 0.000 2.366 127 E HA 0.039 4.380 4.350 -0.016 0.000 0.266 127 E C -0.730 175.947 176.600 0.129 0.000 1.051 127 E CA -0.217 56.253 56.400 0.117 0.000 0.884 127 E CB 0.624 30.476 29.700 0.253 0.000 1.006 127 E HN 0.503 nan 8.360 nan 0.000 0.417 128 D N 0.810 121.261 120.400 0.084 0.000 2.425 128 D HA 0.143 4.773 4.640 -0.016 0.000 0.247 128 D C -0.293 176.018 176.300 0.017 0.000 1.147 128 D CA 0.143 54.156 54.000 0.021 0.000 0.879 128 D CB 0.555 41.340 40.800 -0.024 0.000 1.179 128 D HN 0.397 nan 8.370 nan 0.000 0.456 129 A N 2.862 125.641 122.820 -0.068 0.000 2.540 129 A HA 0.340 4.650 4.320 -0.016 0.000 0.264 129 A C 1.208 178.446 177.584 -0.577 0.000 1.080 129 A CA 0.103 51.874 52.037 -0.442 0.000 0.776 129 A CB -0.246 18.567 19.000 -0.312 0.000 1.011 129 A HN 0.591 nan 8.150 nan 0.000 0.514 130 G N 2.317 110.495 108.800 -1.037 0.000 2.924 130 G HA2 0.408 4.358 3.960 -0.016 0.000 0.273 130 G HA3 0.408 4.358 3.960 -0.016 0.000 0.273 130 G C 0.269 174.875 174.900 -0.490 0.000 0.734 130 G CA -0.172 44.564 45.100 -0.606 0.000 2.065 130 G HN 0.741 nan 8.290 nan 0.000 0.580 131 L N 0.792 121.869 121.223 -0.244 0.000 3.135 131 L HA 0.419 4.749 4.340 -0.016 0.000 0.279 131 L C 1.060 177.974 176.870 0.073 0.000 1.200 131 L CA -0.127 54.717 54.840 0.006 0.000 1.016 131 L CB 0.708 42.783 42.059 0.025 0.000 1.391 131 L HN 0.460 nan 8.230 nan 0.000 0.588 132 G N -1.379 107.304 108.800 -0.194 0.000 2.649 132 G HA2 0.165 4.115 3.960 -0.016 0.000 0.290 132 G HA3 0.165 4.115 3.960 -0.016 0.000 0.290 132 G C -0.468 173.839 174.900 -0.988 0.000 1.426 132 G CA -0.255 44.571 45.100 -0.456 0.000 0.794 132 G HN -0.221 nan 8.290 nan 0.000 0.483 133 N N -1.248 116.994 118.700 -0.764 0.000 2.545 133 N HA 0.277 5.008 4.740 -0.016 0.000 0.190 133 N C 1.020 176.237 175.510 -0.488 0.000 1.043 133 N CA 1.382 54.085 53.050 -0.577 0.000 0.879 133 N CB 1.111 39.462 38.487 -0.227 0.000 1.210 133 N HN 0.887 nan 8.380 nan 0.000 0.437 134 G N -1.205 107.435 108.800 -0.267 0.000 2.696 134 G HA2 0.282 4.232 3.960 -0.016 0.000 0.151 134 G HA3 0.282 4.232 3.960 -0.016 0.000 0.151 134 G C 0.663 175.638 174.900 0.124 0.000 1.197 134 G CA 0.271 45.415 45.100 0.074 0.000 1.053 134 G HN 0.195 nan 8.290 nan 0.000 0.546 135 G N 0.237 109.077 108.800 0.066 0.000 2.480 135 G HA2 -0.041 3.909 3.960 -0.016 0.000 0.216 135 G HA3 -0.041 3.909 3.960 -0.016 0.000 0.216 135 G C 1.915 176.794 174.900 -0.035 0.000 1.200 135 G CA 1.809 46.923 45.100 0.024 0.000 0.782 135 G HN 0.932 nan 8.290 nan 0.000 0.554 136 L N 1.459 122.628 121.223 -0.090 0.000 2.013 136 L HA 0.024 4.355 4.340 -0.016 0.000 0.212 136 L C 2.751 179.521 176.870 -0.167 0.000 1.073 136 L CA 2.770 57.476 54.840 -0.222 0.000 0.753 136 L CB -0.892 41.012 42.059 -0.259 0.000 0.890 136 L HN 0.177 nan 8.230 nan 0.000 0.432 137 G N -1.246 107.506 108.800 -0.081 0.000 2.408 137 G HA2 -0.239 3.712 3.960 -0.016 0.000 0.217 137 G HA3 -0.239 3.712 3.960 -0.016 0.000 0.217 137 G C 1.758 176.720 174.900 0.103 0.000 1.150 137 G CA 0.489 45.572 45.100 -0.027 0.000 0.776 137 G HN 0.251 nan 8.290 nan 0.000 0.542 138 R N 0.092 120.689 120.500 0.162 0.000 2.090 138 R HA 0.119 4.449 4.340 -0.016 0.000 0.228 138 R C 2.472 178.791 176.300 0.032 0.000 1.110 138 R CA 0.681 56.870 56.100 0.148 0.000 0.973 138 R CB -1.052 29.328 30.300 0.134 0.000 0.869 138 R HN 0.384 nan 8.270 nan 0.000 0.440 139 L N 0.820 121.989 121.223 -0.090 0.000 2.013 139 L HA -0.145 4.185 4.340 -0.016 0.000 0.212 139 L C 2.171 178.767 176.870 -0.458 0.000 1.073 139 L CA 2.454 57.111 54.840 -0.305 0.000 0.753 139 L CB -0.825 41.015 42.059 -0.365 0.000 0.890 139 L HN 0.199 nan 8.230 nan 0.000 0.432 140 A N -0.825 121.835 122.820 -0.266 0.000 1.972 140 A HA -0.084 4.226 4.320 -0.016 0.000 0.219 140 A C 2.417 180.040 177.584 0.064 0.000 1.169 140 A CA 1.746 53.698 52.037 -0.142 0.000 0.635 140 A CB -1.086 17.865 19.000 -0.081 0.000 0.810 140 A HN 0.610 nan 8.150 nan 0.000 0.446 141 A N -0.849 122.040 122.820 0.115 0.000 1.855 141 A HA -0.157 4.153 4.320 -0.016 0.000 0.215 141 A C 2.318 179.975 177.584 0.121 0.000 1.191 141 A CA 1.608 53.736 52.037 0.153 0.000 0.613 141 A CB -1.336 17.745 19.000 0.135 0.000 0.829 141 A HN 0.587 nan 8.150 nan 0.000 0.442 142 C N -1.402 117.981 119.300 0.138 0.000 2.413 142 C HA -0.125 4.326 4.460 -0.016 0.000 0.276 142 C C 2.448 177.612 174.990 0.289 0.000 1.236 142 C CA 0.872 60.016 59.018 0.211 0.000 1.735 142 C CB -1.706 26.187 27.740 0.256 0.000 2.031 142 C HN 0.600 nan 8.230 nan 0.000 0.474 143 F N 1.130 121.064 119.950 -0.026 0.000 2.095 143 F HA -0.112 4.405 4.527 -0.016 0.000 0.298 143 F C 2.272 178.010 175.800 -0.104 0.000 1.104 143 F CA 1.082 59.016 58.000 -0.110 0.000 1.232 143 F CB -1.402 37.405 39.000 -0.321 0.000 0.987 143 F HN 0.203 nan 8.300 nan 0.000 0.475 144 L N -0.462 120.828 121.223 0.112 0.000 2.012 144 L HA -0.260 4.071 4.340 -0.016 0.000 0.210 144 L C 2.450 179.325 176.870 0.007 0.000 1.073 144 L CA 1.944 56.804 54.840 0.033 0.000 0.748 144 L CB -0.827 41.252 42.059 0.034 0.000 0.891 144 L HN 0.174 nan 8.230 nan 0.000 0.431 145 D N -0.124 120.289 120.400 0.022 0.000 2.106 145 D HA -0.196 4.435 4.640 -0.016 0.000 0.191 145 D C 2.098 178.409 176.300 0.017 0.000 0.997 145 D CA 1.948 55.949 54.000 0.002 0.000 0.834 145 D CB 0.272 41.073 40.800 0.001 0.000 0.956 145 D HN 0.224 nan 8.370 nan 0.000 0.448 146 S N -0.159 115.567 115.700 0.043 0.000 2.368 146 S HA -0.117 4.343 4.470 -0.016 0.000 0.225 146 S C 2.156 176.758 174.600 0.003 0.000 1.030 146 S CA 0.947 59.160 58.200 0.022 0.000 0.999 146 S CB -0.159 63.052 63.200 0.018 0.000 0.844 146 S HN 0.342 nan 8.310 nan 0.000 0.459 147 M N 0.987 120.583 119.600 -0.007 0.000 2.080 147 M HA -0.146 4.324 4.480 -0.016 0.000 0.260 147 M C 2.493 178.790 176.300 -0.005 0.000 1.068 147 M CA 1.589 56.885 55.300 -0.007 0.000 1.109 147 M CB -0.576 32.006 32.600 -0.029 0.000 1.342 147 M HN 0.408 nan 8.290 nan 0.000 0.405 148 A N -0.267 122.545 122.820 -0.013 0.000 1.902 148 A HA -0.142 4.168 4.320 -0.016 0.000 0.217 148 A C 2.149 179.738 177.584 0.008 0.000 1.181 148 A CA 2.170 54.202 52.037 -0.010 0.000 0.623 148 A CB -1.159 17.818 19.000 -0.038 0.000 0.818 148 A HN 0.459 nan 8.150 nan 0.000 0.443 149 T N 0.209 114.774 114.554 0.018 0.000 2.833 149 T HA -0.028 4.312 4.350 -0.016 0.000 0.269 149 T C 1.257 175.977 174.700 0.034 0.000 1.054 149 T CA 1.223 63.348 62.100 0.041 0.000 1.135 149 T CB -0.262 68.640 68.868 0.057 0.000 0.869 149 T HN 0.352 nan 8.240 nan 0.000 0.466 150 L N 0.329 121.568 121.223 0.027 0.000 2.741 150 L HA 0.336 4.666 4.340 -0.016 0.000 0.237 150 L C 1.599 178.490 176.870 0.035 0.000 1.178 150 L CA -0.101 54.756 54.840 0.029 0.000 0.973 150 L CB -0.245 41.831 42.059 0.028 0.000 1.255 150 L HN 0.396 nan 8.230 nan 0.000 0.498 151 G N 1.041 109.862 108.800 0.036 0.000 2.198 151 G HA2 -0.287 3.663 3.960 -0.016 0.000 0.260 151 G HA3 -0.287 3.663 3.960 -0.016 0.000 0.260 151 G C 0.132 175.068 174.900 0.059 0.000 1.025 151 G CA 0.032 45.166 45.100 0.057 0.000 0.769 151 G HN 0.291 nan 8.290 nan 0.000 0.507 152 L N 0.109 121.345 121.223 0.022 0.000 2.326 152 L HA 0.600 4.930 4.340 -0.016 0.000 0.278 152 L C 1.201 177.980 176.870 -0.152 0.000 1.092 152 L CA -0.311 54.504 54.840 -0.042 0.000 0.810 152 L CB 1.547 43.597 42.059 -0.015 0.000 1.153 152 L HN 0.258 nan 8.230 nan 0.000 0.439 153 A N 3.346 125.940 122.820 -0.377 0.000 2.906 153 A HA 0.563 4.873 4.320 -0.016 0.000 0.289 153 A C 0.293 177.607 177.584 -0.449 0.000 1.675 153 A CA -0.096 51.476 52.037 -0.776 0.000 1.372 153 A CB -0.605 17.702 19.000 -1.155 0.000 1.091 153 A HN 0.728 nan 8.150 nan 0.000 0.579 154 A N 1.819 124.414 122.820 -0.376 0.000 2.356 154 A HA 0.825 5.136 4.320 -0.016 0.000 0.323 154 A C -1.109 176.264 177.584 -0.351 0.000 1.119 154 A CA -0.503 51.363 52.037 -0.285 0.000 0.790 154 A CB 0.956 19.834 19.000 -0.203 0.000 1.273 154 A HN 0.647 nan 8.150 nan 0.000 0.452 155 Y N 0.130 120.365 120.300 -0.107 0.000 2.373 155 Y HA 0.521 5.061 4.550 -0.016 0.000 0.336 155 Y C 0.837 176.832 175.900 0.159 0.000 0.979 155 Y CA -0.495 57.620 58.100 0.025 0.000 1.080 155 Y CB 2.402 40.976 38.460 0.190 0.000 1.190 155 Y HN 0.871 nan 8.280 nan 0.000 0.446 156 G N 2.247 111.141 108.800 0.157 0.000 2.353 156 G HA2 0.426 4.376 3.960 -0.016 0.000 0.284 156 G HA3 0.426 4.376 3.960 -0.016 0.000 0.284 156 G C -1.701 173.223 174.900 0.040 0.000 1.172 156 G CA -0.143 45.086 45.100 0.215 0.000 0.854 156 G HN 0.532 nan 8.290 nan 0.000 0.485 157 Y N 0.681 121.203 120.300 0.370 0.000 2.391 157 Y HA 0.635 5.175 4.550 -0.016 0.000 0.341 157 Y C 0.702 176.900 175.900 0.497 0.000 0.965 157 Y CA 0.285 58.564 58.100 0.298 0.000 1.067 157 Y CB 2.764 41.424 38.460 0.334 0.000 1.199 157 Y HN 0.944 nan 8.280 nan 0.000 0.450 158 G N 2.099 111.214 108.800 0.526 0.000 2.500 158 G HA2 0.479 4.429 3.960 -0.016 0.000 0.299 158 G HA3 0.479 4.429 3.960 -0.016 0.000 0.299 158 G C -1.895 173.231 174.900 0.377 0.000 1.242 158 G CA -0.891 44.552 45.100 0.572 0.000 0.859 158 G HN 0.436 nan 8.290 nan 0.000 0.481 159 I N 0.779 121.463 120.570 0.190 0.000 2.377 159 I HA 0.415 4.576 4.170 -0.016 0.000 0.293 159 I C 0.606 176.594 176.117 -0.216 0.000 0.987 159 I CA -0.677 60.604 61.300 -0.032 0.000 1.185 159 I CB 1.992 39.779 38.000 -0.355 0.000 1.341 159 I HN 0.379 nan 8.210 nan 0.000 0.455 160 R N 6.312 126.809 120.500 -0.003 0.000 2.878 160 R HA 0.143 4.473 4.340 -0.016 0.000 0.239 160 R C -1.082 175.257 176.300 0.065 0.000 1.515 160 R CA -0.425 55.704 56.100 0.050 0.000 1.210 160 R CB -0.225 30.097 30.300 0.036 0.000 1.209 160 R HN 0.391 nan 8.270 nan 0.000 0.610 161 Y N 1.652 122.099 120.300 0.246 0.000 2.650 161 Y HA -0.122 4.418 4.550 -0.016 0.000 0.331 161 Y C 1.523 177.583 175.900 0.266 0.000 1.165 161 Y CA 0.239 58.475 58.100 0.227 0.000 1.473 161 Y CB 0.512 39.091 38.460 0.198 0.000 1.224 161 Y HN 0.578 nan 8.280 nan 0.000 0.533 162 E N 2.336 122.691 120.200 0.258 0.000 2.110 162 E HA -0.100 4.240 4.350 -0.016 0.000 0.193 162 E C -0.670 175.778 176.600 -0.253 0.000 0.988 162 E CA 0.838 57.187 56.400 -0.085 0.000 0.804 162 E CB 0.146 29.691 29.700 -0.257 0.000 0.745 162 E HN 0.483 nan 8.360 nan 0.000 0.458 163 F N -0.507 119.655 119.950 0.353 0.000 2.477 163 F HA 0.408 4.926 4.527 -0.016 0.000 0.335 163 F C 0.929 176.877 175.800 0.247 0.000 1.130 163 F CA -0.866 57.330 58.000 0.325 0.000 0.948 163 F CB 1.671 40.784 39.000 0.188 0.000 1.154 163 F HN -0.108 nan 8.300 nan 0.000 0.439 164 G N 2.059 111.058 108.800 0.333 0.000 2.522 164 G HA2 0.150 4.101 3.960 -0.016 0.000 0.223 164 G HA3 0.150 4.101 3.960 -0.016 0.000 0.223 164 G C -0.382 174.516 174.900 -0.004 0.000 1.565 164 G CA -0.328 44.802 45.100 0.050 0.000 1.053 164 G HN 0.505 nan 8.290 nan 0.000 0.547 165 I N 0.819 121.320 120.570 -0.115 0.000 2.575 165 I HA 0.321 4.481 4.170 -0.016 0.000 0.285 165 I C 0.612 176.672 176.117 -0.095 0.000 1.085 165 I CA -1.331 59.882 61.300 -0.145 0.000 1.403 165 I CB 0.242 38.043 38.000 -0.332 0.000 1.409 165 I HN 0.371 nan 8.210 nan 0.000 0.557 166 F N 5.556 125.525 119.950 0.031 0.000 2.657 166 F HA 0.110 4.628 4.527 -0.016 0.000 0.354 166 F C 0.488 176.344 175.800 0.093 0.000 1.148 166 F CA -0.326 57.713 58.000 0.065 0.000 1.368 166 F CB -0.344 38.683 39.000 0.044 0.000 1.036 166 F HN 0.412 nan 8.300 nan 0.000 0.619 167 N N 2.025 120.861 118.700 0.226 0.000 2.514 167 N HA 0.059 4.789 4.740 -0.016 0.000 0.277 167 N C -0.853 174.855 175.510 0.330 0.000 1.126 167 N CA -0.334 52.827 53.050 0.186 0.000 0.978 167 N CB 1.238 39.842 38.487 0.194 0.000 1.106 167 N HN 0.741 nan 8.380 nan 0.000 0.461 168 Q N 2.510 122.472 119.800 0.271 0.000 2.303 168 Q HA 0.181 4.511 4.340 -0.016 0.000 0.257 168 Q C -1.007 175.155 176.000 0.271 0.000 0.941 168 Q CA -0.405 55.612 55.803 0.358 0.000 0.931 168 Q CB 0.707 29.659 28.738 0.356 0.000 1.215 168 Q HN 0.246 nan 8.270 nan 0.000 0.437 169 K N 4.321 124.864 120.400 0.239 0.000 2.221 169 K HA 0.448 4.758 4.320 -0.016 0.000 0.258 169 K C -0.535 176.164 176.600 0.166 0.000 0.944 169 K CA -0.901 55.502 56.287 0.194 0.000 0.823 169 K CB 1.517 34.111 32.500 0.158 0.000 1.113 169 K HN 0.624 nan 8.250 nan 0.000 0.431 170 I N 2.212 122.871 120.570 0.150 0.000 2.331 170 I HA 0.199 4.359 4.170 -0.016 0.000 0.292 170 I C -0.008 176.168 176.117 0.099 0.000 0.998 170 I CA -0.701 60.657 61.300 0.095 0.000 1.267 170 I CB 0.756 38.787 38.000 0.052 0.000 1.386 170 I HN 0.437 nan 8.210 nan 0.000 0.476 171 C N 4.109 123.476 119.300 0.113 0.000 2.346 171 C HA 0.548 4.998 4.460 -0.016 0.000 0.326 171 C C 1.051 176.136 174.990 0.159 0.000 1.224 171 C CA -0.542 58.548 59.018 0.120 0.000 1.408 171 C CB 0.476 28.286 27.740 0.117 0.000 2.089 171 C HN 1.092 nan 8.230 nan 0.000 0.456 172 G N 2.953 111.814 108.800 0.103 0.000 2.395 172 G HA2 0.118 4.068 3.960 -0.016 0.000 0.300 172 G HA3 0.118 4.068 3.960 -0.016 0.000 0.300 172 G C 1.163 176.054 174.900 -0.016 0.000 0.998 172 G CA 1.108 46.261 45.100 0.087 0.000 1.046 172 G HN 2.368 nan 8.290 nan 0.000 0.513 173 G N -2.788 105.948 108.800 -0.107 0.000 2.179 173 G HA2 -0.303 3.647 3.960 -0.016 0.000 0.260 173 G HA3 -0.303 3.647 3.960 -0.016 0.000 0.260 173 G C 0.375 175.022 174.900 -0.423 0.000 0.977 173 G CA 0.617 45.527 45.100 -0.317 0.000 0.641 173 G HN 1.154 nan 8.290 nan 0.000 0.533 174 W N 0.820 122.067 121.300 -0.089 0.000 2.496 174 W HA 0.649 5.300 4.660 -0.016 0.000 0.327 174 W C 0.630 177.100 176.519 -0.081 0.000 1.086 174 W CA -0.945 56.346 57.345 -0.090 0.000 1.222 174 W CB 0.919 30.344 29.460 -0.059 0.000 1.304 174 W HN 0.223 nan 8.180 nan 0.000 0.547 175 Q N 3.373 123.273 119.800 0.166 0.000 2.286 175 Q HA 0.148 4.478 4.340 -0.016 0.000 0.267 175 Q C -0.507 175.563 176.000 0.116 0.000 1.028 175 Q CA 0.115 55.990 55.803 0.121 0.000 0.901 175 Q CB 0.476 29.281 28.738 0.112 0.000 1.183 175 Q HN 0.285 nan 8.270 nan 0.000 0.392 176 M N 3.423 123.091 119.600 0.112 0.000 2.300 176 M HA 0.330 4.800 4.480 -0.016 0.000 0.348 176 M C -0.810 175.530 176.300 0.068 0.000 1.151 176 M CA -0.535 54.804 55.300 0.064 0.000 1.046 176 M CB 1.487 34.130 32.600 0.072 0.000 1.647 176 M HN 0.582 nan 8.290 nan 0.000 0.451 177 E N 2.001 122.175 120.200 -0.043 0.000 2.227 177 E HA 0.391 4.731 4.350 -0.016 0.000 0.282 177 E C -0.470 176.152 176.600 0.037 0.000 1.015 177 E CA -0.390 55.967 56.400 -0.073 0.000 0.823 177 E CB 1.288 30.716 29.700 -0.455 0.000 1.081 177 E HN 0.523 nan 8.360 nan 0.000 0.396 178 E N 1.648 121.943 120.200 0.159 0.000 2.314 178 E HA 0.664 5.004 4.350 -0.016 0.000 0.272 178 E C -1.139 175.560 176.600 0.165 0.000 0.884 178 E CA -1.310 55.162 56.400 0.120 0.000 0.753 178 E CB 1.355 31.126 29.700 0.118 0.000 1.213 178 E HN 0.490 nan 8.360 nan 0.000 0.432 179 A N 2.550 125.423 122.820 0.087 0.000 2.520 179 A HA 0.070 4.381 4.320 -0.016 0.000 0.235 179 A C -0.081 177.641 177.584 0.230 0.000 1.065 179 A CA 0.308 52.401 52.037 0.094 0.000 0.764 179 A CB 0.177 19.105 19.000 -0.120 0.000 1.002 179 A HN 0.678 nan 8.150 nan 0.000 0.502 180 D N 0.922 121.532 120.400 0.350 0.000 2.485 180 D HA 0.214 4.844 4.640 -0.016 0.000 0.221 180 D C -0.793 175.852 176.300 0.575 0.000 1.112 180 D CA -0.145 54.092 54.000 0.395 0.000 0.911 180 D CB 0.554 41.543 40.800 0.314 0.000 1.019 180 D HN 0.378 nan 8.370 nan 0.000 0.516 181 D N 4.204 124.880 120.400 0.460 0.000 3.057 181 D HA -0.009 4.622 4.640 -0.016 0.000 0.246 181 D C 1.346 177.775 176.300 0.216 0.000 1.238 181 D CA -0.514 53.701 54.000 0.358 0.000 0.949 181 D CB -0.125 40.857 40.800 0.303 0.000 1.086 181 D HN 0.584 nan 8.370 nan 0.000 0.487 182 W N 0.895 122.260 121.300 0.107 0.000 2.468 182 W HA -0.080 4.570 4.660 -0.016 0.000 0.262 182 W C 0.246 176.824 176.519 0.099 0.000 1.241 182 W CA 0.113 57.526 57.345 0.112 0.000 1.232 182 W CB -0.783 28.743 29.460 0.110 0.000 1.124 182 W HN 0.151 nan 8.180 nan 0.000 0.597 183 L N 0.655 121.493 121.223 -0.641 0.000 2.607 183 L HA 0.170 4.500 4.340 -0.016 0.000 0.228 183 L C 2.809 179.491 176.870 -0.314 0.000 1.123 183 L CA -0.036 54.393 54.840 -0.685 0.000 0.890 183 L CB -0.581 40.904 42.059 -0.957 0.000 1.103 183 L HN -0.133 nan 8.230 nan 0.000 0.468 184 R N 0.395 120.761 120.500 -0.223 0.000 2.134 184 R HA -0.250 4.080 4.340 -0.016 0.000 0.248 184 R C 1.387 177.471 176.300 -0.360 0.000 1.143 184 R CA 2.202 58.120 56.100 -0.303 0.000 0.957 184 R CB -0.181 29.879 30.300 -0.399 0.000 0.867 184 R HN 0.313 nan 8.270 nan 0.000 0.441 185 Y N -0.854 119.452 120.300 0.010 0.000 2.457 185 Y HA 0.327 4.867 4.550 -0.016 0.000 0.263 185 Y C 0.857 176.725 175.900 -0.053 0.000 1.164 185 Y CA 0.457 58.560 58.100 0.006 0.000 1.274 185 Y CB 0.904 39.461 38.460 0.162 0.000 1.097 185 Y HN 0.388 nan 8.280 nan 0.000 0.523 186 G N 1.298 110.130 108.800 0.055 0.000 2.663 186 G HA2 -0.212 3.739 3.960 -0.016 0.000 0.686 186 G HA3 -0.212 3.739 3.960 -0.016 0.000 0.686 186 G C -1.257 173.726 174.900 0.139 0.000 1.246 186 G CA -0.842 44.267 45.100 0.016 0.000 0.795 186 G HN 0.249 nan 8.290 nan 0.000 0.627 187 N N 1.248 119.980 118.700 0.052 0.000 2.524 187 N HA 0.590 5.320 4.740 -0.016 0.000 0.261 187 N C -0.737 174.805 175.510 0.052 0.000 0.998 187 N CA -2.059 51.054 53.050 0.105 0.000 0.915 187 N CB 2.051 40.563 38.487 0.042 0.000 1.187 187 N HN 0.242 nan 8.380 nan 0.000 0.507 188 P HA 0.043 nan 4.420 nan 0.000 0.233 188 P C 0.552 177.568 177.300 -0.474 0.000 1.167 188 P CA 0.615 63.450 63.100 -0.443 0.000 0.770 188 P CB 0.098 31.256 31.700 -0.904 0.000 0.837 189 W N 1.854 123.161 121.300 0.012 0.000 2.640 189 W HA 0.059 4.710 4.660 -0.016 0.000 0.268 189 W C 1.303 177.852 176.519 0.050 0.000 1.263 189 W CA -0.333 57.011 57.345 -0.003 0.000 1.344 189 W CB -0.177 29.281 29.460 -0.002 0.000 1.093 189 W HN -0.019 nan 8.180 nan 0.000 0.603 190 E N 1.805 122.181 120.200 0.293 0.000 2.319 190 E HA 0.290 4.631 4.350 -0.016 0.000 0.268 190 E C -0.655 176.120 176.600 0.292 0.000 1.050 190 E CA -0.664 55.917 56.400 0.303 0.000 0.878 190 E CB 1.342 31.242 29.700 0.335 0.000 1.066 190 E HN -0.329 nan 8.360 nan 0.000 0.406 191 K N 1.785 122.373 120.400 0.314 0.000 2.483 191 K HA 0.399 4.710 4.320 -0.016 0.000 0.256 191 K C -1.098 175.526 176.600 0.040 0.000 0.961 191 K CA -0.510 55.899 56.287 0.204 0.000 0.873 191 K CB 1.455 34.088 32.500 0.222 0.000 1.107 191 K HN 0.662 nan 8.250 nan 0.000 0.432 192 A N 4.366 127.101 122.820 -0.142 0.000 2.540 192 A HA 0.265 4.575 4.320 -0.016 0.000 0.239 192 A C -0.298 177.072 177.584 -0.358 0.000 1.061 192 A CA 0.095 51.733 52.037 -0.665 0.000 0.758 192 A CB 0.165 18.834 19.000 -0.553 0.000 0.991 192 A HN 0.661 nan 8.150 nan 0.000 0.502 193 R N 3.408 123.685 120.500 -0.371 0.000 2.651 193 R HA 0.216 4.546 4.340 -0.016 0.000 0.282 193 R C -2.452 173.721 176.300 -0.213 0.000 1.565 193 R CA -1.663 54.306 56.100 -0.217 0.000 1.661 193 R CB 0.899 31.208 30.300 0.014 0.000 1.189 193 R HN 0.547 nan 8.270 nan 0.000 0.621 194 P HA -0.160 nan 4.420 nan 0.000 0.221 194 P C 0.961 178.172 177.300 -0.148 0.000 1.150 194 P CA 1.025 64.047 63.100 -0.131 0.000 0.800 194 P CB 0.357 31.992 31.700 -0.108 0.000 0.787 195 E N -0.380 119.624 120.200 -0.327 0.000 2.472 195 E HA -0.131 4.210 4.350 -0.016 0.000 0.200 195 E C 0.200 176.590 176.600 -0.349 0.000 1.046 195 E CA 0.796 56.951 56.400 -0.410 0.000 0.871 195 E CB -0.707 28.622 29.700 -0.618 0.000 0.806 195 E HN 0.256 nan 8.360 nan 0.000 0.533 196 F N 1.522 121.494 119.950 0.036 0.000 2.791 196 F HA 0.290 4.807 4.527 -0.016 0.000 0.308 196 F C 0.327 176.220 175.800 0.155 0.000 1.138 196 F CA -0.866 57.184 58.000 0.083 0.000 1.294 196 F CB 0.090 39.137 39.000 0.078 0.000 0.975 196 F HN -0.283 nan 8.300 nan 0.000 0.512 197 T N 2.354 117.053 114.554 0.241 0.000 2.900 197 T HA 0.422 4.762 4.350 -0.016 0.000 0.307 197 T C -0.424 174.363 174.700 0.145 0.000 1.065 197 T CA 0.208 62.437 62.100 0.214 0.000 1.105 197 T CB 1.104 70.051 68.868 0.132 0.000 0.979 197 T HN -0.136 nan 8.240 nan 0.000 0.544 198 L N 3.696 124.957 121.223 0.064 0.000 2.455 198 L HA 0.474 4.805 4.340 -0.016 0.000 0.264 198 L C -2.383 174.410 176.870 -0.128 0.000 0.968 198 L CA -2.406 52.402 54.840 -0.054 0.000 0.827 198 L CB 2.242 44.200 42.059 -0.168 0.000 1.317 198 L HN 0.382 nan 8.230 nan 0.000 0.407 199 P HA 0.303 nan 4.420 nan 0.000 0.276 199 P C -1.085 176.043 177.300 -0.288 0.000 1.230 199 P CA -0.203 62.767 63.100 -0.217 0.000 0.776 199 P CB 1.420 32.992 31.700 -0.213 0.000 0.888 200 V N 4.339 124.064 119.914 -0.317 0.000 2.588 200 V HA 0.319 4.429 4.120 -0.016 0.000 0.304 200 V C 0.174 176.052 176.094 -0.360 0.000 1.042 200 V CA -0.615 61.517 62.300 -0.281 0.000 0.877 200 V CB 1.500 33.208 31.823 -0.191 0.000 0.996 200 V HN 0.604 nan 8.190 nan 0.000 0.425 201 H N 3.824 122.726 119.070 -0.279 0.000 2.499 201 H HA 0.650 5.197 4.556 -0.016 0.000 0.340 201 H C -1.300 173.667 175.328 -0.601 0.000 1.148 201 H CA -0.198 55.583 56.048 -0.445 0.000 1.215 201 H CB 2.080 31.330 29.762 -0.853 0.000 1.529 201 H HN 0.485 nan 8.280 nan 0.000 0.510 202 F N -0.115 119.832 119.950 -0.005 0.000 2.629 202 F HA 0.189 4.706 4.527 -0.016 0.000 0.316 202 F C -0.133 175.727 175.800 0.101 0.000 1.081 202 F CA -0.553 57.449 58.000 0.002 0.000 0.954 202 F CB 1.036 39.977 39.000 -0.099 0.000 1.337 202 F HN 0.570 nan 8.300 nan 0.000 0.474 203 Y N 0.325 120.873 120.300 0.414 0.000 2.864 203 Y HA -0.072 4.468 4.550 -0.016 0.000 0.468 203 Y C 1.425 177.525 175.900 0.332 0.000 1.175 203 Y CA 0.833 59.112 58.100 0.299 0.000 2.601 203 Y CB -1.953 36.626 38.460 0.198 0.000 1.207 203 Y HN 1.264 nan 8.280 nan 0.000 0.627 204 G N 0.644 109.680 108.800 0.392 0.000 2.642 204 G HA2 0.069 4.019 3.960 -0.016 0.000 0.231 204 G HA3 0.069 4.019 3.960 -0.016 0.000 0.231 204 G C -0.651 174.442 174.900 0.321 0.000 1.338 204 G CA 0.591 45.842 45.100 0.251 0.000 0.883 204 G HN 1.279 nan 8.290 nan 0.000 0.570 205 R N -2.370 118.316 120.500 0.310 0.000 2.781 205 R HA 0.723 5.053 4.340 -0.016 0.000 0.269 205 R C -1.225 175.232 176.300 0.262 0.000 1.025 205 R CA -0.999 55.252 56.100 0.252 0.000 0.914 205 R CB 1.460 31.855 30.300 0.159 0.000 1.236 205 R HN 0.855 nan 8.270 nan 0.000 0.465 206 V N 0.903 120.904 119.914 0.145 0.000 2.394 206 V HA 0.359 4.469 4.120 -0.016 0.000 0.282 206 V C -0.107 176.009 176.094 0.036 0.000 1.031 206 V CA -0.593 61.738 62.300 0.051 0.000 0.881 206 V CB 1.261 33.059 31.823 -0.042 0.000 0.982 206 V HN 0.681 nan 8.190 nan 0.000 0.451 207 E N 2.838 123.027 120.200 -0.018 0.000 2.195 207 E HA 0.467 4.807 4.350 -0.016 0.000 0.271 207 E C -0.996 175.529 176.600 -0.124 0.000 0.923 207 E CA -0.741 55.661 56.400 0.004 0.000 0.790 207 E CB 1.455 31.172 29.700 0.028 0.000 1.155 207 E HN 0.701 nan 8.360 nan 0.000 0.402 208 H N 1.186 120.269 119.070 0.022 0.000 2.457 208 H HA 0.326 4.872 4.556 -0.016 0.000 0.335 208 H C -0.163 175.173 175.328 0.013 0.000 1.115 208 H CA -0.426 55.630 56.048 0.014 0.000 1.219 208 H CB 1.802 31.568 29.762 0.007 0.000 1.471 208 H HN 0.547 nan 8.280 nan 0.000 0.491 209 T N -1.653 112.961 114.554 0.100 0.000 2.906 209 T HA 0.127 4.467 4.350 -0.016 0.000 0.295 209 T C 1.374 176.110 174.700 0.059 0.000 1.075 209 T CA -0.430 61.708 62.100 0.063 0.000 1.005 209 T CB 1.493 70.380 68.868 0.032 0.000 1.136 209 T HN 0.532 nan 8.240 nan 0.000 0.498 210 S N 0.148 115.873 115.700 0.042 0.000 2.428 210 S HA -0.210 4.250 4.470 -0.016 0.000 0.240 210 S C 1.078 175.697 174.600 0.031 0.000 1.036 210 S CA 1.187 59.407 58.200 0.033 0.000 1.009 210 S CB -0.650 62.565 63.200 0.024 0.000 0.803 210 S HN 0.705 nan 8.310 nan 0.000 0.486 211 Q N 1.689 121.506 119.800 0.028 0.000 2.824 211 Q HA 0.561 4.892 4.340 -0.016 0.000 0.371 211 Q C 0.618 176.629 176.000 0.017 0.000 1.071 211 Q CA 0.342 56.157 55.803 0.021 0.000 1.064 211 Q CB 0.188 28.934 28.738 0.013 0.000 1.332 211 Q HN 0.651 nan 8.270 nan 0.000 0.445 212 G N 0.563 109.382 108.800 0.032 0.000 2.804 212 G HA2 -0.090 3.860 3.960 -0.016 0.000 0.230 212 G HA3 -0.090 3.860 3.960 -0.016 0.000 0.230 212 G C -0.317 174.569 174.900 -0.023 0.000 1.386 212 G CA -0.532 44.583 45.100 0.025 0.000 0.875 212 G HN 0.763 nan 8.290 nan 0.000 0.557 213 A N 0.012 122.776 122.820 -0.095 0.000 2.322 213 A HA 0.729 5.039 4.320 -0.016 0.000 0.269 213 A C 0.374 177.865 177.584 -0.154 0.000 1.094 213 A CA 0.198 52.072 52.037 -0.272 0.000 0.807 213 A CB 0.773 19.549 19.000 -0.373 0.000 1.047 213 A HN 0.714 nan 8.150 nan 0.000 0.487 214 K N 0.597 120.911 120.400 -0.144 0.000 2.482 214 K HA 0.194 4.504 4.320 -0.016 0.000 0.251 214 K C -1.856 174.775 176.600 0.053 0.000 0.936 214 K CA -0.249 56.017 56.287 -0.035 0.000 0.791 214 K CB 1.946 34.434 32.500 -0.020 0.000 1.213 214 K HN 0.761 nan 8.250 nan 0.000 0.428 215 W N 4.766 125.980 121.300 -0.144 0.000 2.331 215 W HA 0.392 5.043 4.660 -0.016 0.000 0.306 215 W C -0.440 176.013 176.519 -0.109 0.000 1.162 215 W CA -0.796 56.470 57.345 -0.131 0.000 1.232 215 W CB 0.241 29.600 29.460 -0.168 0.000 1.235 215 W HN 0.279 nan 8.180 nan 0.000 0.479 216 V N 2.596 122.553 119.914 0.071 0.000 3.130 216 V HA 0.555 4.666 4.120 -0.016 0.000 0.310 216 V C -0.277 175.785 176.094 -0.053 0.000 1.158 216 V CA -1.141 61.131 62.300 -0.046 0.000 1.029 216 V CB 2.041 33.872 31.823 0.014 0.000 1.057 216 V HN 0.505 nan 8.190 nan 0.000 0.436 217 D N 0.990 121.364 120.400 -0.044 0.000 2.705 217 D HA -0.132 4.498 4.640 -0.016 0.000 0.240 217 D C 0.367 176.659 176.300 -0.013 0.000 1.137 217 D CA 1.515 55.513 54.000 -0.003 0.000 0.677 217 D CB -0.898 39.927 40.800 0.041 0.000 1.049 217 D HN 1.280 nan 8.370 nan 0.000 0.427 218 T N -2.054 112.449 114.554 -0.086 0.000 2.867 218 T HA 0.475 4.815 4.350 -0.016 0.000 0.282 218 T C 0.425 175.146 174.700 0.034 0.000 1.000 218 T CA -0.836 61.206 62.100 -0.097 0.000 1.042 218 T CB 2.233 70.875 68.868 -0.376 0.000 0.973 218 T HN 0.017 nan 8.240 nan 0.000 0.465 219 Q N 1.528 121.410 119.800 0.137 0.000 2.297 219 Q HA 0.347 4.677 4.340 -0.016 0.000 0.267 219 Q C -0.646 175.379 176.000 0.042 0.000 1.006 219 Q CA -0.425 55.457 55.803 0.131 0.000 0.896 219 Q CB 1.025 29.924 28.738 0.269 0.000 1.186 219 Q HN 0.529 nan 8.270 nan 0.000 0.392 220 V N 4.485 124.340 119.914 -0.098 0.000 2.348 220 V HA 0.198 4.308 4.120 -0.016 0.000 0.270 220 V C -0.019 175.980 176.094 -0.159 0.000 1.037 220 V CA -0.509 61.655 62.300 -0.227 0.000 0.872 220 V CB 1.302 32.964 31.823 -0.270 0.000 1.002 220 V HN 0.484 nan 8.190 nan 0.000 0.464 221 V N 6.826 126.727 119.914 -0.022 0.000 2.481 221 V HA 0.439 4.550 4.120 -0.016 0.000 0.286 221 V C 0.118 176.245 176.094 0.055 0.000 1.042 221 V CA -0.528 61.803 62.300 0.052 0.000 0.928 221 V CB 1.752 33.733 31.823 0.264 0.000 0.986 221 V HN 0.620 nan 8.190 nan 0.000 0.462 222 L N 3.709 124.972 121.223 0.066 0.000 2.357 222 L HA 0.754 5.085 4.340 -0.016 0.000 0.273 222 L C 0.325 177.335 176.870 0.233 0.000 1.080 222 L CA -0.372 54.517 54.840 0.081 0.000 0.803 222 L CB 1.526 43.618 42.059 0.054 0.000 1.174 222 L HN 0.741 nan 8.230 nan 0.000 0.443 223 A N 4.909 127.816 122.820 0.146 0.000 2.285 223 A HA 0.585 4.895 4.320 -0.016 0.000 0.310 223 A C -0.610 177.228 177.584 0.422 0.000 1.266 223 A CA -0.452 51.708 52.037 0.206 0.000 0.832 223 A CB 1.009 19.648 19.000 -0.601 0.000 1.163 223 A HN 0.752 nan 8.150 nan 0.000 0.499 224 M N 5.593 125.542 119.600 0.582 0.000 2.180 224 M HA 0.451 4.922 4.480 -0.016 0.000 0.350 224 M C -2.650 173.973 176.300 0.539 0.000 1.125 224 M CA -2.200 53.395 55.300 0.490 0.000 1.031 224 M CB 2.180 34.974 32.600 0.322 0.000 1.623 224 M HN 0.347 nan 8.290 nan 0.000 0.451 225 P HA 0.265 nan 4.420 nan 0.000 0.292 225 P C -1.934 175.298 177.300 -0.114 0.000 1.287 225 P CA -0.051 62.957 63.100 -0.154 0.000 0.800 225 P CB 0.461 31.904 31.700 -0.428 0.000 0.945 226 Y N 1.040 121.287 120.300 -0.088 0.000 2.352 226 Y HA 0.357 4.897 4.550 -0.016 0.000 0.339 226 Y C 0.446 176.334 175.900 -0.020 0.000 0.992 226 Y CA -0.137 57.964 58.100 -0.000 0.000 1.100 226 Y CB 1.220 39.711 38.460 0.051 0.000 1.192 226 Y HN 0.242 nan 8.280 nan 0.000 0.458 227 D N 1.834 122.348 120.400 0.191 0.000 2.217 227 D HA 0.364 4.994 4.640 -0.016 0.000 0.243 227 D C -0.690 175.798 176.300 0.313 0.000 1.054 227 D CA -0.319 53.833 54.000 0.254 0.000 0.838 227 D CB 1.747 42.766 40.800 0.365 0.000 1.162 227 D HN 0.380 nan 8.370 nan 0.000 0.472 228 T N 3.308 117.924 114.554 0.104 0.000 2.792 228 T HA 0.460 4.800 4.350 -0.016 0.000 0.280 228 T C -2.492 171.941 174.700 -0.445 0.000 0.990 228 T CA -1.496 60.552 62.100 -0.088 0.000 0.960 228 T CB 1.944 70.784 68.868 -0.047 0.000 0.939 228 T HN 0.147 nan 8.240 nan 0.000 0.439 229 P HA 0.308 nan 4.420 nan 0.000 0.275 229 P C -0.980 175.943 177.300 -0.628 0.000 1.228 229 P CA -0.383 61.942 63.100 -1.292 0.000 0.786 229 P CB 0.765 31.638 31.700 -1.378 0.000 0.927 230 V N 4.725 124.338 119.914 -0.501 0.000 2.340 230 V HA 0.260 4.370 4.120 -0.016 0.000 0.277 230 V C -2.188 173.764 176.094 -0.236 0.000 1.017 230 V CA -1.800 60.317 62.300 -0.305 0.000 0.820 230 V CB 1.585 33.275 31.823 -0.222 0.000 1.028 230 V HN 0.540 nan 8.190 nan 0.000 0.436 231 P HA 0.264 nan 4.420 nan 0.000 0.281 231 P C 0.434 177.677 177.300 -0.094 0.000 1.252 231 P CA 0.296 63.305 63.100 -0.152 0.000 0.778 231 P CB 1.566 33.175 31.700 -0.152 0.000 0.895 232 G N 2.549 111.310 108.800 -0.065 0.000 2.684 232 G HA2 0.075 4.025 3.960 -0.016 0.000 0.255 232 G HA3 0.075 4.025 3.960 -0.016 0.000 0.255 232 G C -1.151 173.758 174.900 0.015 0.000 1.219 232 G CA -0.491 44.600 45.100 -0.016 0.000 0.901 232 G HN 0.527 nan 8.290 nan 0.000 0.548 233 Y N 0.238 120.496 120.300 -0.071 0.000 2.504 233 Y HA 0.333 4.873 4.550 -0.016 0.000 0.351 233 Y C 1.246 177.105 175.900 -0.067 0.000 0.988 233 Y CA -0.382 57.672 58.100 -0.076 0.000 1.239 233 Y CB 0.268 38.681 38.460 -0.079 0.000 1.128 233 Y HN 0.704 nan 8.280 nan 0.000 0.525 234 R N 2.732 122.906 120.500 -0.544 0.000 3.722 234 R HA -0.324 4.006 4.340 -0.016 0.000 0.284 234 R C 0.212 176.367 176.300 -0.242 0.000 1.165 234 R CA 1.531 57.342 56.100 -0.481 0.000 0.779 234 R CB -1.837 28.013 30.300 -0.750 0.000 1.179 234 R HN 0.940 nan 8.270 nan 0.000 0.491 235 N N -1.092 117.519 118.700 -0.149 0.000 2.187 235 N HA 0.026 4.756 4.740 -0.016 0.000 0.212 235 N C -0.215 175.243 175.510 -0.086 0.000 1.152 235 N CA -0.217 52.778 53.050 -0.091 0.000 0.872 235 N CB 0.426 38.884 38.487 -0.048 0.000 1.025 235 N HN 0.091 nan 8.380 nan 0.000 0.514 236 N N 0.008 118.652 118.700 -0.092 0.000 2.713 236 N HA -0.138 4.592 4.740 -0.016 0.000 0.251 236 N C -0.905 174.556 175.510 -0.081 0.000 1.117 236 N CA 0.576 53.580 53.050 -0.077 0.000 0.770 236 N CB -1.317 37.129 38.487 -0.068 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.049 120.916 119.914 -0.078 0.000 2.465 237 V HA 0.397 4.507 4.120 -0.016 0.000 0.279 237 V C 0.636 176.690 176.094 -0.066 0.000 1.045 237 V CA -0.434 61.821 62.300 -0.075 0.000 0.938 237 V CB 2.115 33.916 31.823 -0.036 0.000 0.986 237 V HN -0.037 nan 8.190 nan 0.000 0.467 238 V N 5.421 125.299 119.914 -0.061 0.000 2.398 238 V HA 0.415 4.526 4.120 -0.016 0.000 0.282 238 V C -0.090 175.982 176.094 -0.038 0.000 1.014 238 V CA -0.854 61.395 62.300 -0.085 0.000 0.838 238 V CB 1.428 33.199 31.823 -0.085 0.000 1.018 238 V HN 0.846 nan 8.190 nan 0.000 0.432 239 N N 1.898 120.547 118.700 -0.085 0.000 2.418 239 N HA 0.534 5.264 4.740 -0.016 0.000 0.283 239 N C 0.009 175.456 175.510 -0.104 0.000 1.267 239 N CA -0.254 52.758 53.050 -0.062 0.000 0.975 239 N CB 1.034 39.454 38.487 -0.112 0.000 1.167 239 N HN 0.557 nan 8.380 nan 0.000 0.581 240 T N 0.831 115.330 114.554 -0.092 0.000 2.807 240 T HA 0.397 4.737 4.350 -0.016 0.000 0.279 240 T C -0.219 174.419 174.700 -0.103 0.000 0.993 240 T CA -0.494 61.623 62.100 0.029 0.000 0.970 240 T CB 0.871 69.899 68.868 0.267 0.000 0.950 240 T HN 0.313 nan 8.240 nan 0.000 0.441 241 M N 4.141 123.649 119.600 -0.154 0.000 2.101 241 M HA 0.515 4.985 4.480 -0.016 0.000 0.340 241 M C -0.457 175.680 176.300 -0.271 0.000 1.057 241 M CA -0.745 54.391 55.300 -0.274 0.000 0.984 241 M CB 0.693 33.077 32.600 -0.359 0.000 1.560 241 M HN 0.496 nan 8.290 nan 0.000 0.435 242 R N 5.950 126.182 120.500 -0.446 0.000 2.295 242 R HA 0.657 4.987 4.340 -0.016 0.000 0.324 242 R C -2.037 173.953 176.300 -0.517 0.000 0.968 242 R CA -0.455 55.337 56.100 -0.514 0.000 0.837 242 R CB 0.968 30.806 30.300 -0.770 0.000 1.133 242 R HN 0.845 nan 8.270 nan 0.000 0.450 243 L N 4.907 125.930 121.223 -0.334 0.000 2.346 243 L HA 0.504 4.834 4.340 -0.016 0.000 0.276 243 L C -0.913 175.912 176.870 -0.075 0.000 1.006 243 L CA -0.891 53.853 54.840 -0.160 0.000 0.817 243 L CB 1.772 43.825 42.059 -0.011 0.000 1.272 243 L HN 0.627 nan 8.230 nan 0.000 0.421 244 W N 1.937 123.389 121.300 0.253 0.000 2.390 244 W HA 0.458 5.109 4.660 -0.016 0.000 0.312 244 W C 0.462 177.246 176.519 0.442 0.000 1.123 244 W CA -0.249 57.298 57.345 0.336 0.000 1.202 244 W CB 1.752 31.349 29.460 0.228 0.000 1.251 244 W HN 0.338 nan 8.180 nan 0.000 0.511 245 S N 2.092 118.231 115.700 0.732 0.000 2.472 245 S HA 0.753 5.214 4.470 -0.016 0.000 0.303 245 S C -0.329 174.602 174.600 0.552 0.000 1.099 245 S CA -0.694 57.812 58.200 0.510 0.000 1.077 245 S CB 0.703 64.158 63.200 0.424 0.000 1.031 245 S HN 0.490 nan 8.310 nan 0.000 0.487 246 A N 4.640 127.604 122.820 0.240 0.000 2.362 246 A HA 0.587 4.897 4.320 -0.016 0.000 0.276 246 A C -0.178 177.498 177.584 0.154 0.000 1.153 246 A CA -0.196 51.916 52.037 0.124 0.000 0.813 246 A CB 0.261 19.120 19.000 -0.235 0.000 1.081 246 A HN 0.715 nan 8.150 nan 0.000 0.507 247 K N 1.811 122.316 120.400 0.174 0.000 2.565 247 K HA 0.496 4.806 4.320 -0.016 0.000 0.249 247 K C -0.366 176.279 176.600 0.075 0.000 0.958 247 K CA -0.427 55.935 56.287 0.125 0.000 0.806 247 K CB 2.154 34.742 32.500 0.145 0.000 1.194 247 K HN 0.886 nan 8.250 nan 0.000 0.434 248 A N 4.528 127.377 122.820 0.049 0.000 2.466 248 A HA 0.276 4.586 4.320 -0.016 0.000 0.238 248 A C -1.955 175.621 177.584 -0.014 0.000 1.074 248 A CA -0.543 51.482 52.037 -0.019 0.000 0.774 248 A CB -0.494 18.552 19.000 0.077 0.000 1.015 248 A HN 0.388 nan 8.150 nan 0.000 0.498 249 P HA 0.153 nan 4.420 nan 0.000 0.274 249 P C 0.185 177.529 177.300 0.074 0.000 1.256 249 P CA -0.514 62.569 63.100 -0.029 0.000 0.795 249 P CB 0.666 32.309 31.700 -0.095 0.000 1.038 250 N N 0.197 118.942 118.700 0.075 0.000 2.376 250 N HA -0.075 4.656 4.740 -0.016 0.000 0.177 250 N C 0.822 176.406 175.510 0.123 0.000 1.024 250 N CA 0.857 53.965 53.050 0.097 0.000 0.893 250 N CB -0.157 38.372 38.487 0.069 0.000 0.980 250 N HN 0.546 nan 8.380 nan 0.000 0.439 251 D N -0.726 119.750 120.400 0.127 0.000 2.319 251 D HA -0.070 4.561 4.640 -0.016 0.000 0.230 251 D C 0.706 177.131 176.300 0.208 0.000 1.094 251 D CA -0.318 53.764 54.000 0.137 0.000 0.856 251 D CB -0.477 40.385 40.800 0.103 0.000 0.915 251 D HN -0.033 nan 8.370 nan 0.000 0.517 262 Y N 0.767 121.050 120.300 -0.028 0.000 2.151 262 Y HA -0.152 4.389 4.550 -0.016 0.000 0.284 262 Y C 2.626 178.509 175.900 -0.028 0.000 1.166 262 Y CA 2.413 60.497 58.100 -0.026 0.000 1.163 262 Y CB -0.053 38.398 38.460 -0.015 0.000 0.974 262 Y HN 0.251 nan 8.280 nan 0.000 0.511 263 I N 0.456 120.929 120.570 -0.161 0.000 2.208 263 I HA -0.314 3.846 4.170 -0.016 0.000 0.245 263 I C 2.392 178.385 176.117 -0.207 0.000 1.097 263 I CA 1.518 62.679 61.300 -0.230 0.000 1.363 263 I CB -1.416 36.547 38.000 -0.062 0.000 1.051 263 I HN 0.385 nan 8.210 nan 0.000 0.413 264 Q N 0.591 120.309 119.800 -0.136 0.000 2.124 264 Q HA -0.113 4.218 4.340 -0.016 0.000 0.202 264 Q C 2.392 178.287 176.000 -0.176 0.000 0.977 264 Q CA 1.822 57.550 55.803 -0.126 0.000 0.850 264 Q CB -0.267 28.417 28.738 -0.089 0.000 0.901 264 Q HN 0.552 nan 8.270 nan 0.000 0.429 265 A N -0.088 122.607 122.820 -0.208 0.000 1.978 265 A HA -0.124 4.187 4.320 -0.016 0.000 0.220 265 A C 2.314 179.748 177.584 -0.249 0.000 1.170 265 A CA 1.546 53.427 52.037 -0.260 0.000 0.636 265 A CB -0.393 18.489 19.000 -0.197 0.000 0.810 265 A HN 0.230 nan 8.150 nan 0.000 0.448 266 V N -0.292 119.468 119.914 -0.257 0.000 2.535 266 V HA -0.126 3.985 4.120 -0.016 0.000 0.246 266 V C 2.446 178.474 176.094 -0.110 0.000 1.045 266 V CA 1.385 63.569 62.300 -0.194 0.000 1.058 266 V CB -0.606 31.037 31.823 -0.300 0.000 0.689 266 V HN 0.541 nan 8.190 nan 0.000 0.461 267 L N -0.133 121.018 121.223 -0.119 0.000 2.093 267 L HA -0.121 4.210 4.340 -0.016 0.000 0.208 267 L C 2.092 178.938 176.870 -0.041 0.000 1.085 267 L CA 1.314 56.114 54.840 -0.066 0.000 0.755 267 L CB -0.632 41.387 42.059 -0.066 0.000 0.904 267 L HN 0.325 nan 8.230 nan 0.000 0.435 268 D N 0.026 120.378 120.400 -0.080 0.000 2.378 268 D HA -0.094 4.536 4.640 -0.016 0.000 0.222 268 D C 2.118 178.458 176.300 0.067 0.000 0.980 268 D CA 0.516 54.481 54.000 -0.058 0.000 0.907 268 D CB -0.055 40.641 40.800 -0.172 0.000 0.899 268 D HN 0.241 nan 8.370 nan 0.000 0.527 269 R N 0.353 120.915 120.500 0.105 0.000 2.193 269 R HA -0.066 4.265 4.340 -0.016 0.000 0.229 269 R C 1.681 178.090 176.300 0.181 0.000 1.110 269 R CA 0.825 57.087 56.100 0.270 0.000 0.988 269 R CB -0.286 30.135 30.300 0.202 0.000 0.871 269 R HN 0.341 nan 8.270 nan 0.000 0.458 270 N N 0.259 119.024 118.700 0.109 0.000 2.205 270 N HA -0.184 4.547 4.740 -0.016 0.000 0.186 270 N C 1.142 176.706 175.510 0.089 0.000 1.015 270 N CA 0.702 53.803 53.050 0.084 0.000 0.862 270 N CB -0.072 38.449 38.487 0.057 0.000 0.986 270 N HN 0.027 nan 8.380 nan 0.000 0.429 271 L N 0.895 122.187 121.223 0.115 0.000 2.046 271 L HA -0.087 4.243 4.340 -0.016 0.000 0.208 271 L C 2.411 179.326 176.870 0.074 0.000 1.077 271 L CA 1.348 56.249 54.840 0.102 0.000 0.747 271 L CB -1.016 41.122 42.059 0.132 0.000 0.896 271 L HN 0.161 nan 8.230 nan 0.000 0.432 272 A N -0.930 121.943 122.820 0.088 0.000 1.929 272 A HA -0.150 4.160 4.320 -0.016 0.000 0.216 272 A C 2.098 179.672 177.584 -0.018 0.000 1.176 272 A CA 1.132 53.172 52.037 0.005 0.000 0.628 272 A CB -0.439 18.533 19.000 -0.048 0.000 0.816 272 A HN 0.494 nan 8.150 nan 0.000 0.444 273 E N 0.394 120.608 120.200 0.024 0.000 2.516 273 E HA -0.074 4.266 4.350 -0.016 0.000 0.199 273 E C 0.605 177.215 176.600 0.016 0.000 1.069 273 E CA 0.173 56.586 56.400 0.021 0.000 0.876 273 E CB -0.120 29.616 29.700 0.060 0.000 0.843 273 E HN 0.480 nan 8.360 nan 0.000 0.530 274 N N 0.505 119.214 118.700 0.016 0.000 2.521 274 N HA -0.004 4.727 4.740 -0.016 0.000 0.188 274 N C 1.441 176.963 175.510 0.020 0.000 1.146 274 N CA 0.443 53.515 53.050 0.038 0.000 0.893 274 N CB 0.164 38.678 38.487 0.045 0.000 0.975 274 N HN 0.276 nan 8.380 nan 0.000 0.451 275 I N 0.269 120.792 120.570 -0.079 0.000 2.286 275 I HA -0.161 3.999 4.170 -0.016 0.000 0.245 275 I C 1.223 177.287 176.117 -0.088 0.000 1.104 275 I CA 0.958 62.165 61.300 -0.155 0.000 1.397 275 I CB -0.049 37.682 38.000 -0.450 0.000 1.072 275 I HN 0.056 nan 8.210 nan 0.000 0.417 276 S N -0.150 115.485 115.700 -0.108 0.000 2.526 276 S HA 0.247 4.707 4.470 -0.016 0.000 0.247 276 S C 1.230 175.933 174.600 0.172 0.000 1.076 276 S CA -0.522 57.697 58.200 0.031 0.000 1.105 276 S CB 0.301 63.504 63.200 0.005 0.000 0.793 276 S HN 0.191 nan 8.310 nan 0.000 0.458 277 R N 0.754 121.386 120.500 0.220 0.000 2.123 277 R HA 0.417 4.747 4.340 -0.016 0.000 0.209 277 R C 0.127 176.651 176.300 0.373 0.000 1.078 277 R CA 0.661 56.924 56.100 0.272 0.000 1.028 277 R CB 0.095 30.525 30.300 0.216 0.000 0.939 277 R HN 0.399 nan 8.270 nan 0.000 0.463 278 V N 1.255 121.352 119.914 0.304 0.000 2.733 278 V HA 0.412 4.523 4.120 -0.016 0.000 0.306 278 V C -1.405 174.672 176.094 -0.029 0.000 1.084 278 V CA -1.390 61.008 62.300 0.162 0.000 0.905 278 V CB 1.695 33.526 31.823 0.014 0.000 1.010 278 V HN 0.183 nan 8.190 nan 0.000 0.424 279 L N 7.226 128.173 121.223 -0.461 0.000 2.453 279 L HA 0.424 4.754 4.340 -0.016 0.000 0.272 279 L C -0.918 175.753 176.870 -0.331 0.000 1.182 279 L CA 0.516 54.813 54.840 -0.904 0.000 0.858 279 L CB 0.389 41.785 42.059 -1.105 0.000 1.120 279 L HN 0.677 nan 8.230 nan 0.000 0.474 280 Y N 6.963 127.160 120.300 -0.172 0.000 2.480 280 Y HA 0.287 4.827 4.550 -0.016 0.000 0.341 280 Y C -1.506 174.379 175.900 -0.025 0.000 1.031 280 Y CA -1.448 56.629 58.100 -0.038 0.000 1.295 280 Y CB -0.323 38.148 38.460 0.020 0.000 1.162 280 Y HN 0.634 nan 8.280 nan 0.000 0.523 287 E N 4.096 124.023 120.200 -0.454 0.000 2.129 287 E HA 0.432 4.772 4.350 -0.016 0.000 0.268 287 E C 0.503 176.730 176.600 -0.622 0.000 0.900 287 E CA -0.612 55.479 56.400 -0.515 0.000 0.755 287 E CB 1.657 31.276 29.700 -0.135 0.000 1.117 287 E HN 0.864 nan 8.360 nan 0.000 0.410 288 G N 5.113 113.426 108.800 -0.811 0.000 3.352 288 G HA2 -0.063 3.887 3.960 -0.016 0.000 0.236 288 G HA3 -0.063 3.887 3.960 -0.016 0.000 0.236 288 G C 0.432 175.397 174.900 0.109 0.000 1.324 288 G CA -0.052 44.761 45.100 -0.478 0.000 1.404 288 G HN 0.262 nan 8.290 nan 0.000 0.542 289 K N 0.356 120.811 120.400 0.092 0.000 2.219 289 K HA 0.069 4.379 4.320 -0.016 0.000 0.258 289 K C 1.230 177.956 176.600 0.210 0.000 1.008 289 K CA -0.312 56.062 56.287 0.144 0.000 0.928 289 K CB 1.086 33.654 32.500 0.113 0.000 0.983 289 K HN 0.343 nan 8.250 nan 0.000 0.484 290 E N 1.718 122.003 120.200 0.142 0.000 2.077 290 E HA -0.202 4.138 4.350 -0.016 0.000 0.193 290 E C 1.737 178.353 176.600 0.027 0.000 0.989 290 E CA 1.024 57.464 56.400 0.067 0.000 0.800 290 E CB 0.119 29.862 29.700 0.072 0.000 0.746 290 E HN 0.421 nan 8.360 nan 0.000 0.452 291 L N 1.163 122.434 121.223 0.081 0.000 2.131 291 L HA -0.180 4.151 4.340 -0.016 0.000 0.210 291 L C 2.561 179.485 176.870 0.090 0.000 1.092 291 L CA 1.448 56.351 54.840 0.105 0.000 0.759 291 L CB -0.364 41.832 42.059 0.227 0.000 0.903 291 L HN 0.020 nan 8.230 nan 0.000 0.435 292 R N -0.456 120.027 120.500 -0.029 0.000 2.070 292 R HA -0.194 4.136 4.340 -0.016 0.000 0.232 292 R C 2.121 178.457 176.300 0.060 0.000 1.138 292 R CA 2.109 58.142 56.100 -0.111 0.000 0.936 292 R CB -1.245 28.946 30.300 -0.182 0.000 0.839 292 R HN 0.336 nan 8.270 nan 0.000 0.429 293 L N 1.260 122.449 121.223 -0.057 0.000 2.043 293 L HA -0.170 4.160 4.340 -0.016 0.000 0.212 293 L C 1.783 178.614 176.870 -0.064 0.000 1.075 293 L CA 1.994 56.615 54.840 -0.364 0.000 0.752 293 L CB -0.593 40.956 42.059 -0.849 0.000 0.891 293 L HN 0.234 nan 8.230 nan 0.000 0.432 294 K N -1.141 119.266 120.400 0.012 0.000 2.057 294 K HA -0.193 4.117 4.320 -0.016 0.000 0.207 294 K C 2.078 178.855 176.600 0.296 0.000 1.049 294 K CA 1.666 58.047 56.287 0.155 0.000 0.931 294 K CB -0.175 32.242 32.500 -0.138 0.000 0.714 294 K HN 0.524 nan 8.250 nan 0.000 0.440 295 Q N 0.772 120.697 119.800 0.209 0.000 2.030 295 Q HA -0.205 4.126 4.340 -0.016 0.000 0.204 295 Q C 2.034 178.231 176.000 0.329 0.000 0.986 295 Q CA 1.584 57.555 55.803 0.280 0.000 0.843 295 Q CB -0.063 28.851 28.738 0.294 0.000 0.904 295 Q HN 0.366 nan 8.270 nan 0.000 0.420 296 E N -0.217 120.129 120.200 0.244 0.000 2.070 296 E HA -0.241 4.100 4.350 -0.016 0.000 0.197 296 E C 1.800 178.505 176.600 0.176 0.000 1.004 296 E CA 1.335 57.858 56.400 0.205 0.000 0.805 296 E CB -0.215 29.587 29.700 0.171 0.000 0.744 296 E HN 0.338 nan 8.360 nan 0.000 0.451 297 Y N 0.378 120.718 120.300 0.067 0.000 2.200 297 Y HA -0.224 4.316 4.550 -0.016 0.000 0.290 297 Y C 1.993 177.915 175.900 0.036 0.000 1.137 297 Y CA 1.262 59.352 58.100 -0.017 0.000 1.163 297 Y CB -0.415 37.992 38.460 -0.087 0.000 0.988 297 Y HN 0.037 nan 8.280 nan 0.000 0.518 298 F N -0.331 119.615 119.950 -0.006 0.000 2.065 298 F HA -0.275 4.243 4.527 -0.016 0.000 0.298 298 F C 2.494 178.150 175.800 -0.240 0.000 1.112 298 F CA 2.194 60.142 58.000 -0.086 0.000 1.212 298 F CB -1.040 38.045 39.000 0.142 0.000 0.975 298 F HN -0.052 nan 8.300 nan 0.000 0.476 299 V N -0.320 119.590 119.914 -0.007 0.000 2.358 299 V HA -0.204 3.907 4.120 -0.016 0.000 0.246 299 V C 2.172 178.146 176.094 -0.199 0.000 1.047 299 V CA 1.970 64.246 62.300 -0.040 0.000 1.035 299 V CB -0.408 31.587 31.823 0.286 0.000 0.658 299 V HN 0.285 nan 8.190 nan 0.000 0.452 300 V N 0.587 120.376 119.914 -0.209 0.000 2.295 300 V HA -0.209 3.902 4.120 -0.016 0.000 0.246 300 V C 2.829 178.660 176.094 -0.438 0.000 1.049 300 V CA 2.256 64.403 62.300 -0.255 0.000 1.024 300 V CB -1.222 30.492 31.823 -0.181 0.000 0.648 300 V HN 0.658 nan 8.190 nan 0.000 0.447 301 A N -0.146 122.238 122.820 -0.726 0.000 1.855 301 A HA -0.075 4.235 4.320 -0.016 0.000 0.215 301 A C 2.424 179.642 177.584 -0.610 0.000 1.191 301 A CA 2.064 53.663 52.037 -0.730 0.000 0.613 301 A CB -0.907 17.462 19.000 -1.051 0.000 0.829 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -0.982 121.321 122.820 -0.862 0.000 1.877 302 A HA -0.092 4.218 4.320 -0.016 0.000 0.216 302 A C 2.314 179.526 177.584 -0.620 0.000 1.186 302 A CA 2.377 53.779 52.037 -1.059 0.000 0.620 302 A CB -1.388 16.285 19.000 -2.212 0.000 0.822 302 A HN 0.435 nan 8.150 nan 0.000 0.443 303 T N 0.432 114.728 114.554 -0.431 0.000 2.652 303 T HA -0.153 4.188 4.350 -0.016 0.000 0.267 303 T C 1.829 176.277 174.700 -0.420 0.000 1.039 303 T CA 1.643 63.553 62.100 -0.317 0.000 1.153 303 T CB -0.431 68.242 68.868 -0.326 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.428 304 L N 0.708 121.726 121.223 -0.342 0.000 2.042 304 L HA -0.167 4.164 4.340 -0.016 0.000 0.210 304 L C 2.969 179.722 176.870 -0.196 0.000 1.076 304 L CA 1.441 56.123 54.840 -0.262 0.000 0.749 304 L CB -0.497 41.444 42.059 -0.196 0.000 0.893 304 L HN 0.330 nan 8.230 nan 0.000 0.432 305 Q N -0.692 118.993 119.800 -0.191 0.000 2.096 305 Q HA -0.260 4.070 4.340 -0.016 0.000 0.204 305 Q C 1.771 177.734 176.000 -0.062 0.000 0.982 305 Q CA 1.793 57.530 55.803 -0.111 0.000 0.850 305 Q CB -0.158 28.504 28.738 -0.127 0.000 0.901 305 Q HN 0.452 nan 8.270 nan 0.000 0.422 306 D N 0.454 120.812 120.400 -0.071 0.000 2.117 306 D HA -0.085 4.546 4.640 -0.016 0.000 0.198 306 D C 1.731 177.973 176.300 -0.096 0.000 0.982 306 D CA 0.790 54.788 54.000 -0.002 0.000 0.828 306 D CB -0.046 40.855 40.800 0.168 0.000 0.967 306 D HN 0.149 nan 8.370 nan 0.000 0.464 307 I N 0.098 120.501 120.570 -0.280 0.000 2.163 307 I HA -0.263 3.898 4.170 -0.016 0.000 0.243 307 I C 2.294 178.418 176.117 0.012 0.000 1.085 307 I CA 0.770 61.853 61.300 -0.360 0.000 1.347 307 I CB -0.182 37.433 38.000 -0.642 0.000 1.044 307 I HN 0.035 nan 8.210 nan 0.000 0.408 308 I N 0.312 120.936 120.570 0.091 0.000 2.142 308 I HA -0.326 3.834 4.170 -0.016 0.000 0.240 308 I C 2.805 179.070 176.117 0.246 0.000 1.078 308 I CA 1.405 62.862 61.300 0.261 0.000 1.343 308 I CB -0.426 37.678 38.000 0.173 0.000 1.046 308 I HN 0.172 nan 8.210 nan 0.000 0.405 309 R N 1.020 121.596 120.500 0.126 0.000 2.112 309 R HA -0.264 4.066 4.340 -0.016 0.000 0.242 309 R C 2.489 178.848 176.300 0.098 0.000 1.137 309 R CA 2.035 58.192 56.100 0.095 0.000 0.944 309 R CB -0.354 29.974 30.300 0.047 0.000 0.857 309 R HN 0.227 nan 8.270 nan 0.000 0.435 310 R N -0.695 119.863 120.500 0.096 0.000 2.096 310 R HA -0.168 4.163 4.340 -0.016 0.000 0.235 310 R C 2.189 178.580 176.300 0.151 0.000 1.127 310 R CA 1.739 57.905 56.100 0.110 0.000 0.968 310 R CB -0.346 30.011 30.300 0.095 0.000 0.861 310 R HN 0.332 nan 8.270 nan 0.000 0.440 311 F N 1.237 121.218 119.950 0.052 0.000 2.259 311 F HA -0.061 4.456 4.527 -0.016 0.000 0.298 311 F C 1.604 177.399 175.800 -0.008 0.000 1.088 311 F CA 1.334 59.353 58.000 0.033 0.000 1.358 311 F CB 0.100 39.168 39.000 0.114 0.000 1.040 311 F HN -0.164 nan 8.300 nan 0.000 0.505 312 K N -0.159 120.191 120.400 -0.084 0.000 2.288 312 K HA -0.007 4.303 4.320 -0.016 0.000 0.201 312 K C 1.174 177.659 176.600 -0.192 0.000 1.048 312 K CA 1.041 57.202 56.287 -0.209 0.000 0.956 312 K CB -0.164 32.332 32.500 -0.007 0.000 0.746 312 K HN 0.118 nan 8.250 nan 0.000 0.461 313 S N 1.133 116.774 115.700 -0.097 0.000 2.767 313 S HA 0.123 4.583 4.470 -0.016 0.000 0.253 313 S C 0.059 174.576 174.600 -0.138 0.000 1.082 313 S CA -0.333 57.843 58.200 -0.040 0.000 1.148 313 S CB 0.257 63.536 63.200 0.131 0.000 0.808 313 S HN 0.084 nan 8.310 nan 0.000 0.466 325 N N 0.710 119.417 118.700 0.013 0.000 2.501 325 N HA 0.339 5.070 4.740 -0.016 0.000 0.245 325 N C -0.850 174.735 175.510 0.124 0.000 0.974 325 N CA -0.125 52.987 53.050 0.103 0.000 0.941 325 N CB 0.517 39.047 38.487 0.071 0.000 1.122 325 N HN 0.210 nan 8.380 nan 0.000 0.507 326 F N 1.409 121.449 119.950 0.150 0.000 2.773 326 F HA 0.132 4.649 4.527 -0.016 0.000 0.304 326 F C 1.789 177.633 175.800 0.074 0.000 1.129 326 F CA -0.191 57.858 58.000 0.082 0.000 1.378 326 F CB 0.340 39.265 39.000 -0.125 0.000 1.095 326 F HN 0.462 nan 8.300 nan 0.000 0.565 327 D N 0.476 121.004 120.400 0.214 0.000 2.144 327 D HA -0.139 4.491 4.640 -0.016 0.000 0.200 327 D C 2.266 178.652 176.300 0.143 0.000 0.978 327 D CA 1.292 55.381 54.000 0.147 0.000 0.833 327 D CB 0.058 40.924 40.800 0.110 0.000 0.961 327 D HN 0.324 nan 8.370 nan 0.000 0.470 328 A N 0.185 123.115 122.820 0.183 0.000 2.169 328 A HA -0.029 4.281 4.320 -0.016 0.000 0.212 328 A C 1.794 179.488 177.584 0.184 0.000 1.153 328 A CA -0.036 52.112 52.037 0.185 0.000 0.756 328 A CB -0.732 18.392 19.000 0.208 0.000 0.813 328 A HN 0.162 nan 8.150 nan 0.000 0.471 329 F N 1.746 121.630 119.950 -0.110 0.000 2.063 329 F HA -0.177 4.340 4.527 -0.016 0.000 0.298 329 F C -0.737 174.947 175.800 -0.194 0.000 1.109 329 F CA 2.615 60.332 58.000 -0.471 0.000 1.212 329 F CB -0.705 37.988 39.000 -0.511 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.120 nan 4.420 nan 0.000 0.222 330 P C 0.697 177.957 177.300 -0.067 0.000 1.147 330 P CA 1.635 64.701 63.100 -0.056 0.000 0.790 330 P CB -0.077 31.627 31.700 0.007 0.000 0.780 331 D N -1.122 119.259 120.400 -0.032 0.000 2.333 331 D HA -0.011 4.619 4.640 -0.016 0.000 0.208 331 D C 1.520 177.809 176.300 -0.019 0.000 0.984 331 D CA 0.782 54.776 54.000 -0.010 0.000 0.873 331 D CB 0.145 40.958 40.800 0.022 0.000 0.935 331 D HN 0.169 nan 8.370 nan 0.000 0.521 332 K N 0.149 120.516 120.400 -0.055 0.000 2.391 332 K HA 0.195 4.505 4.320 -0.016 0.000 0.197 332 K C 0.153 176.668 176.600 -0.142 0.000 1.087 332 K CA 0.144 56.413 56.287 -0.030 0.000 1.012 332 K CB 2.133 34.736 32.500 0.173 0.000 0.925 332 K HN -0.054 nan 8.250 nan 0.000 0.547 333 V N 1.174 120.896 119.914 -0.320 0.000 2.577 333 V HA 0.592 4.702 4.120 -0.016 0.000 0.303 333 V C -0.999 174.981 176.094 -0.190 0.000 1.042 333 V CA -1.266 60.833 62.300 -0.335 0.000 0.872 333 V CB 1.734 33.011 31.823 -0.910 0.000 0.998 333 V HN 0.112 nan 8.190 nan 0.000 0.423 334 A N 5.952 128.720 122.820 -0.087 0.000 2.330 334 A HA 0.923 5.234 4.320 -0.016 0.000 0.313 334 A C -0.912 176.675 177.584 0.004 0.000 1.124 334 A CA -0.476 51.535 52.037 -0.044 0.000 0.774 334 A CB 0.890 19.806 19.000 -0.140 0.000 1.198 334 A HN 0.774 nan 8.150 nan 0.000 0.465 335 I N 1.799 122.415 120.570 0.078 0.000 2.389 335 I HA 0.316 4.476 4.170 -0.016 0.000 0.288 335 I C -0.298 175.896 176.117 0.128 0.000 0.999 335 I CA -0.553 60.811 61.300 0.106 0.000 1.129 335 I CB 1.980 40.025 38.000 0.075 0.000 1.288 335 I HN 0.706 nan 8.210 nan 0.000 0.444 336 Q N 6.771 126.648 119.800 0.129 0.000 2.314 336 Q HA 0.534 4.865 4.340 -0.016 0.000 0.259 336 Q C -1.438 174.584 176.000 0.036 0.000 0.951 336 Q CA -0.247 55.663 55.803 0.179 0.000 0.909 336 Q CB 1.283 30.229 28.738 0.347 0.000 1.236 336 Q HN 0.574 nan 8.270 nan 0.000 0.444 337 L N 3.807 125.084 121.223 0.090 0.000 2.275 337 L HA 0.489 4.819 4.340 -0.016 0.000 0.288 337 L C -0.330 176.608 176.870 0.114 0.000 1.046 337 L CA -0.796 54.095 54.840 0.085 0.000 0.805 337 L CB 1.105 43.243 42.059 0.131 0.000 1.193 337 L HN 0.554 nan 8.230 nan 0.000 0.426 338 N N 3.418 122.142 118.700 0.040 0.000 2.485 338 N HA 0.236 4.966 4.740 -0.016 0.000 0.243 338 N C -0.627 174.923 175.510 0.065 0.000 0.987 338 N CA -0.072 53.035 53.050 0.094 0.000 0.940 338 N CB 0.493 38.945 38.487 -0.059 0.000 1.122 338 N HN 0.522 nan 8.380 nan 0.000 0.509 339 D N -0.946 119.557 120.400 0.173 0.000 4.488 339 D HA -0.206 4.424 4.640 -0.016 0.000 0.303 339 D C 0.596 176.935 176.300 0.065 0.000 2.374 339 D CA 1.381 55.426 54.000 0.075 0.000 1.117 339 D CB -0.186 40.399 40.800 -0.359 0.000 1.102 339 D HN 0.545 nan 8.370 nan 0.000 1.284 340 T N -2.919 111.606 114.554 -0.049 0.000 3.215 340 T HA 0.013 4.353 4.350 -0.016 0.000 0.254 340 T C 1.417 176.172 174.700 0.092 0.000 1.149 340 T CA 1.405 63.494 62.100 -0.018 0.000 1.042 340 T CB -0.466 68.365 68.868 -0.061 0.000 0.966 340 T HN 0.471 nan 8.240 nan 0.000 0.534 341 H N 2.346 121.476 119.070 0.101 0.000 2.326 341 H HA 0.031 4.578 4.556 -0.016 0.000 0.301 341 H C -0.799 174.597 175.328 0.114 0.000 1.081 341 H CA 0.657 56.777 56.048 0.121 0.000 1.334 341 H CB -0.681 29.156 29.762 0.125 0.000 1.385 341 H HN 0.417 nan 8.280 nan 0.000 0.504 342 P HA 0.089 nan 4.420 nan 0.000 0.259 342 P C 0.800 178.136 177.300 0.059 0.000 1.530 342 P CA 0.314 63.485 63.100 0.118 0.000 1.022 342 P CB 0.326 32.087 31.700 0.101 0.000 1.514 343 S N 0.393 116.121 115.700 0.047 0.000 2.407 343 S HA -0.199 4.262 4.470 -0.016 0.000 0.235 343 S C 1.756 176.351 174.600 -0.009 0.000 1.036 343 S CA 1.174 59.365 58.200 -0.016 0.000 1.013 343 S CB -1.699 61.476 63.200 -0.042 0.000 0.820 343 S HN 0.174 nan 8.310 nan 0.000 0.476 344 L N 1.259 122.488 121.223 0.010 0.000 2.549 344 L HA 0.040 4.370 4.340 -0.016 0.000 0.229 344 L C 2.892 179.779 176.870 0.028 0.000 1.158 344 L CA 0.585 55.428 54.840 0.006 0.000 0.842 344 L CB -0.804 41.248 42.059 -0.013 0.000 0.952 344 L HN 0.450 nan 8.230 nan 0.000 0.452 345 A N 0.636 123.458 122.820 0.003 0.000 1.940 345 A HA -0.198 4.112 4.320 -0.016 0.000 0.219 345 A C 2.200 179.776 177.584 -0.012 0.000 1.176 345 A CA 1.573 53.599 52.037 -0.017 0.000 0.631 345 A CB -0.472 18.512 19.000 -0.026 0.000 0.814 345 A HN 0.378 nan 8.150 nan 0.000 0.446 346 I N 0.222 120.788 120.570 -0.007 0.000 2.110 346 I HA -0.139 4.022 4.170 -0.016 0.000 0.236 346 I C -0.370 175.763 176.117 0.026 0.000 1.068 346 I CA 1.450 62.747 61.300 -0.005 0.000 1.333 346 I CB -1.162 36.836 38.000 -0.004 0.000 1.054 346 I HN 0.213 nan 8.210 nan 0.000 0.402 347 P HA -0.205 nan 4.420 nan 0.000 0.216 347 P C 1.326 178.654 177.300 0.046 0.000 1.150 347 P CA 1.608 64.749 63.100 0.068 0.000 0.837 347 P CB -0.021 31.759 31.700 0.134 0.000 0.786 348 E N 0.007 120.305 120.200 0.164 0.000 2.077 348 E HA -0.170 4.170 4.350 -0.016 0.000 0.193 348 E C 1.905 178.490 176.600 -0.024 0.000 0.989 348 E CA 0.785 57.292 56.400 0.178 0.000 0.800 348 E CB -1.234 28.593 29.700 0.212 0.000 0.746 348 E HN 0.014 nan 8.360 nan 0.000 0.452 349 L N -0.127 121.053 121.223 -0.071 0.000 2.046 349 L HA -0.115 4.215 4.340 -0.016 0.000 0.208 349 L C 2.096 178.831 176.870 -0.225 0.000 1.077 349 L CA 1.751 56.497 54.840 -0.156 0.000 0.747 349 L CB -0.604 41.372 42.059 -0.138 0.000 0.896 349 L HN 0.221 nan 8.230 nan 0.000 0.432 350 M N -0.710 118.768 119.600 -0.203 0.000 2.080 350 M HA -0.241 4.229 4.480 -0.016 0.000 0.260 350 M C 2.450 178.573 176.300 -0.295 0.000 1.068 350 M CA 1.656 56.778 55.300 -0.296 0.000 1.109 350 M CB -1.309 31.099 32.600 -0.322 0.000 1.342 350 M HN 0.325 nan 8.290 nan 0.000 0.405 351 R N -0.044 120.304 120.500 -0.253 0.000 2.091 351 R HA -0.137 4.193 4.340 -0.016 0.000 0.238 351 R C 2.045 178.219 176.300 -0.211 0.000 1.136 351 R CA 1.594 57.536 56.100 -0.262 0.000 0.959 351 R CB -0.113 29.966 30.300 -0.368 0.000 0.856 351 R HN 0.231 nan 8.270 nan 0.000 0.437 352 V N 1.152 120.944 119.914 -0.202 0.000 2.323 352 V HA -0.215 3.896 4.120 -0.016 0.000 0.244 352 V C 2.322 178.241 176.094 -0.292 0.000 1.041 352 V CA 1.555 63.732 62.300 -0.205 0.000 1.025 352 V CB -0.321 31.388 31.823 -0.191 0.000 0.656 352 V HN 0.328 nan 8.190 nan 0.000 0.451 353 L N -0.709 120.286 121.223 -0.380 0.000 2.141 353 L HA -0.102 4.228 4.340 -0.016 0.000 0.209 353 L C 2.303 178.972 176.870 -0.334 0.000 1.094 353 L CA 0.891 55.440 54.840 -0.484 0.000 0.763 353 L CB -0.561 41.176 42.059 -0.536 0.000 0.908 353 L HN 0.200 nan 8.230 nan 0.000 0.437 354 V N -0.611 119.146 119.914 -0.261 0.000 2.326 354 V HA -0.147 3.963 4.120 -0.016 0.000 0.238 354 V C 1.912 177.937 176.094 -0.116 0.000 1.038 354 V CA 1.562 63.763 62.300 -0.165 0.000 1.032 354 V CB -0.310 31.433 31.823 -0.135 0.000 0.675 354 V HN 0.310 nan 8.190 nan 0.000 0.467 355 D N 0.009 120.336 120.400 -0.121 0.000 2.178 355 D HA -0.038 4.593 4.640 -0.016 0.000 0.202 355 D C 1.931 178.182 176.300 -0.082 0.000 0.974 355 D CA 1.191 55.136 54.000 -0.091 0.000 0.841 355 D CB 0.113 40.854 40.800 -0.099 0.000 0.953 355 D HN 0.338 nan 8.370 nan 0.000 0.478 356 L N -0.084 121.075 121.223 -0.107 0.000 2.467 356 L HA 0.142 4.472 4.340 -0.016 0.000 0.213 356 L C 1.719 178.535 176.870 -0.091 0.000 1.053 356 L CA 0.379 55.168 54.840 -0.085 0.000 0.847 356 L CB 0.310 42.320 42.059 -0.082 0.000 1.075 356 L HN -0.193 nan 8.230 nan 0.000 0.479 357 E N 0.251 120.357 120.200 -0.156 0.000 2.472 357 E HA 0.083 4.423 4.350 -0.016 0.000 0.196 357 E C -0.010 176.519 176.600 -0.118 0.000 1.033 357 E CA -0.085 56.217 56.400 -0.164 0.000 0.886 357 E CB 0.554 30.021 29.700 -0.388 0.000 0.944 357 E HN 0.152 nan 8.360 nan 0.000 0.492 358 R N -0.112 120.323 120.500 -0.108 0.000 3.656 358 R HA -0.178 4.152 4.340 -0.016 0.000 0.297 358 R C -0.336 175.932 176.300 -0.054 0.000 1.166 358 R CA 0.247 56.311 56.100 -0.060 0.000 0.799 358 R CB -2.902 27.384 30.300 -0.024 0.000 1.285 358 R HN 0.080 nan 8.270 nan 0.000 0.477 359 L N 1.332 122.494 121.223 -0.103 0.000 2.418 359 L HA 0.181 4.511 4.340 -0.016 0.000 0.265 359 L C 1.188 178.038 176.870 -0.032 0.000 1.143 359 L CA 0.064 54.858 54.840 -0.078 0.000 0.809 359 L CB 0.554 42.523 42.059 -0.150 0.000 1.124 359 L HN 0.178 nan 8.230 nan 0.000 0.456 360 D N -0.007 120.402 120.400 0.014 0.000 2.362 360 D HA -0.087 4.543 4.640 -0.016 0.000 0.242 360 D C 0.993 177.357 176.300 0.107 0.000 1.132 360 D CA -0.382 53.663 54.000 0.076 0.000 0.907 360 D CB 0.493 41.345 40.800 0.087 0.000 1.195 360 D HN 0.513 nan 8.370 nan 0.000 0.429 361 W N 2.262 123.564 121.300 0.003 0.000 2.290 361 W HA -0.290 4.360 4.660 -0.016 0.000 0.328 361 W C 0.889 177.455 176.519 0.078 0.000 1.272 361 W CA 2.140 59.496 57.345 0.018 0.000 1.262 361 W CB -0.429 29.023 29.460 -0.013 0.000 1.151 361 W HN 0.518 nan 8.180 nan 0.000 0.473 362 D N 0.147 120.766 120.400 0.366 0.000 2.149 362 D HA -0.209 4.422 4.640 -0.016 0.000 0.198 362 D C 1.855 178.274 176.300 0.198 0.000 0.990 362 D CA 2.007 56.198 54.000 0.317 0.000 0.839 362 D CB -0.420 40.523 40.800 0.238 0.000 0.948 362 D HN 0.134 nan 8.370 nan 0.000 0.460 363 K N 1.086 121.552 120.400 0.110 0.000 2.076 363 K HA 0.061 4.372 4.320 -0.016 0.000 0.204 363 K C 1.882 178.476 176.600 -0.010 0.000 1.051 363 K CA 1.257 57.577 56.287 0.055 0.000 0.949 363 K CB -0.438 32.087 32.500 0.042 0.000 0.726 363 K HN -0.016 nan 8.250 nan 0.000 0.443 364 A N 0.801 123.572 122.820 -0.083 0.000 1.908 364 A HA -0.198 4.112 4.320 -0.016 0.000 0.218 364 A C 2.221 179.713 177.584 -0.153 0.000 1.181 364 A CA 1.554 53.473 52.037 -0.196 0.000 0.627 364 A CB -1.222 17.588 19.000 -0.317 0.000 0.818 364 A HN 0.704 nan 8.150 nan 0.000 0.445 365 W N 0.676 121.780 121.300 -0.326 0.000 2.358 365 W HA -0.167 4.484 4.660 -0.016 0.000 0.303 365 W C 1.987 178.461 176.519 -0.074 0.000 1.208 365 W CA 1.849 59.056 57.345 -0.230 0.000 1.274 365 W CB -0.188 29.178 29.460 -0.156 0.000 1.138 365 W HN 0.616 nan 8.180 nan 0.000 0.515 366 E N 0.180 120.376 120.200 -0.008 0.000 2.085 366 E HA -0.231 4.109 4.350 -0.016 0.000 0.194 366 E C 2.030 178.559 176.600 -0.118 0.000 0.994 366 E CA 1.958 58.319 56.400 -0.064 0.000 0.801 366 E CB -0.292 29.431 29.700 0.039 0.000 0.743 366 E HN 0.081 nan 8.360 nan 0.000 0.453 367 V N 0.672 120.531 119.914 -0.090 0.000 2.358 367 V HA -0.232 3.878 4.120 -0.016 0.000 0.246 367 V C 2.379 178.422 176.094 -0.085 0.000 1.047 367 V CA 2.135 64.404 62.300 -0.052 0.000 1.035 367 V CB -0.666 31.122 31.823 -0.058 0.000 0.658 367 V HN 0.378 nan 8.190 nan 0.000 0.452 368 T N -0.028 114.399 114.554 -0.211 0.000 2.708 368 T HA -0.167 4.174 4.350 -0.016 0.000 0.266 368 T C 1.951 176.476 174.700 -0.292 0.000 1.037 368 T CA 1.686 63.636 62.100 -0.250 0.000 1.146 368 T CB -0.268 68.400 68.868 -0.334 0.000 0.865 368 T HN 0.279 nan 8.240 nan 0.000 0.435 369 V N 1.489 121.109 119.914 -0.489 0.000 2.407 369 V HA -0.155 3.956 4.120 -0.016 0.000 0.248 369 V C 2.366 178.428 176.094 -0.054 0.000 1.055 369 V CA 1.555 63.628 62.300 -0.379 0.000 1.049 369 V CB -0.476 31.038 31.823 -0.515 0.000 0.662 369 V HN 0.474 nan 8.190 nan 0.000 0.455 370 K N -0.599 119.766 120.400 -0.059 0.000 2.296 370 K HA -0.057 4.253 4.320 -0.016 0.000 0.200 370 K C 2.083 178.726 176.600 0.071 0.000 1.048 370 K CA 1.380 57.646 56.287 -0.035 0.000 0.966 370 K CB -0.125 32.328 32.500 -0.077 0.000 0.754 370 K HN 0.464 nan 8.250 nan 0.000 0.466 371 T N 0.302 114.915 114.554 0.099 0.000 2.976 371 T HA 0.019 4.359 4.350 -0.016 0.000 0.257 371 T C 0.959 175.760 174.700 0.169 0.000 1.051 371 T CA 0.409 62.581 62.100 0.120 0.000 1.141 371 T CB 0.125 69.089 68.868 0.159 0.000 0.881 371 T HN 0.151 nan 8.240 nan 0.000 0.461 372 C N 2.253 121.632 119.300 0.132 0.000 2.365 372 C HA 0.892 5.342 4.460 -0.016 0.000 0.351 372 C C 0.607 175.617 174.990 0.032 0.000 1.240 372 C CA -1.144 57.920 59.018 0.078 0.000 2.062 372 C CB 0.266 28.002 27.740 -0.007 0.000 2.387 372 C HN 0.607 nan 8.230 nan 0.000 0.537 373 A N 1.947 124.794 122.820 0.046 0.000 2.515 373 A HA 0.801 5.112 4.320 -0.016 0.000 0.296 373 A C -1.661 175.989 177.584 0.110 0.000 1.094 373 A CA -0.436 51.583 52.037 -0.029 0.000 0.718 373 A CB 1.115 20.093 19.000 -0.037 0.000 1.307 373 A HN 0.939 nan 8.150 nan 0.000 0.408 374 Y N 0.926 121.173 120.300 -0.089 0.000 2.338 374 Y HA 0.579 5.120 4.550 -0.016 0.000 0.333 374 Y C -0.547 175.329 175.900 -0.039 0.000 0.968 374 Y CA -0.279 57.779 58.100 -0.069 0.000 1.123 374 Y CB 1.908 40.285 38.460 -0.140 0.000 1.165 374 Y HN 0.596 nan 8.280 nan 0.000 0.452 375 T N 6.419 120.779 114.554 -0.324 0.000 2.767 375 T HA 0.178 4.518 4.350 -0.016 0.000 0.284 375 T C -0.636 173.581 174.700 -0.805 0.000 0.973 375 T CA -0.753 61.066 62.100 -0.469 0.000 0.996 375 T CB 0.506 69.285 68.868 -0.149 0.000 0.927 375 T HN 0.658 nan 8.240 nan 0.000 0.456 376 N N 1.775 120.031 118.700 -0.741 0.000 2.426 376 N HA 0.101 4.831 4.740 -0.016 0.000 0.275 376 N C 0.190 175.550 175.510 -0.249 0.000 1.019 376 N CA -0.364 52.457 53.050 -0.381 0.000 0.941 376 N CB 0.700 39.130 38.487 -0.094 0.000 1.123 376 N HN 0.650 nan 8.380 nan 0.000 0.486 377 H N 1.376 120.431 119.070 -0.024 0.000 2.705 377 H HA 0.124 4.670 4.556 -0.016 0.000 0.269 377 H C -0.069 175.145 175.328 -0.190 0.000 0.998 377 H CA 0.288 56.289 56.048 -0.079 0.000 1.193 377 H CB 1.054 30.777 29.762 -0.064 0.000 1.485 377 H HN 0.572 nan 8.280 nan 0.000 0.521 378 T N -0.122 114.394 114.554 -0.063 0.000 3.128 378 T HA 0.112 4.452 4.350 -0.016 0.000 0.363 378 T C 0.585 175.261 174.700 -0.040 0.000 1.610 378 T CA -0.345 61.668 62.100 -0.145 0.000 1.126 378 T CB 0.776 69.568 68.868 -0.127 0.000 1.416 378 T HN -0.060 nan 8.240 nan 0.000 0.480 379 V N 2.904 122.780 119.914 -0.063 0.000 3.649 379 V HA 0.501 4.611 4.120 -0.016 0.000 0.275 379 V C 1.126 177.176 176.094 -0.074 0.000 1.281 379 V CA 0.143 62.415 62.300 -0.047 0.000 1.143 379 V CB -0.869 30.928 31.823 -0.042 0.000 0.892 379 V HN 0.784 nan 8.190 nan 0.000 0.441 380 L N 2.292 123.447 121.223 -0.114 0.000 2.737 380 L HA 0.063 4.393 4.340 -0.016 0.000 0.275 380 L C -0.719 176.144 176.870 -0.011 0.000 1.179 380 L CA -0.605 54.185 54.840 -0.083 0.000 0.970 380 L CB 0.357 42.341 42.059 -0.126 0.000 1.268 380 L HN 0.185 nan 8.230 nan 0.000 0.485 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 0.701 178.028 177.300 0.045 0.000 1.150 381 P CA 1.126 64.239 63.100 0.022 0.000 0.843 381 P CB 0.025 31.739 31.700 0.023 0.000 0.787 382 E N -0.593 119.644 120.200 0.061 0.000 2.303 382 E HA 0.246 4.587 4.350 -0.016 0.000 0.211 382 E C 0.503 177.175 176.600 0.119 0.000 1.223 382 E CA 0.093 56.543 56.400 0.084 0.000 1.344 382 E CB -0.418 29.321 29.700 0.065 0.000 1.299 382 E HN 0.151 nan 8.360 nan 0.000 0.441 383 A N 0.638 123.522 122.820 0.107 0.000 2.736 383 A HA 0.235 4.546 4.320 -0.016 0.000 0.222 383 A C 0.186 177.803 177.584 0.055 0.000 1.267 383 A CA -0.448 51.667 52.037 0.130 0.000 1.026 383 A CB 0.270 19.334 19.000 0.107 0.000 1.281 383 A HN 0.220 nan 8.150 nan 0.000 0.577 384 L N 2.519 123.746 121.223 0.005 0.000 2.302 384 L HA 0.268 4.598 4.340 -0.016 0.000 0.285 384 L C -0.144 176.569 176.870 -0.261 0.000 1.090 384 L CA -0.171 54.628 54.840 -0.068 0.000 0.866 384 L CB 0.723 42.780 42.059 -0.004 0.000 1.244 384 L HN 0.276 nan 8.230 nan 0.000 0.435 385 E N 3.944 123.824 120.200 -0.533 0.000 2.480 385 E HA 0.049 4.389 4.350 -0.016 0.000 0.258 385 E C -0.305 175.839 176.600 -0.760 0.000 0.984 385 E CA 0.447 56.103 56.400 -1.241 0.000 0.930 385 E CB 0.468 29.437 29.700 -1.217 0.000 0.936 385 E HN 0.380 nan 8.360 nan 0.000 0.466 386 R N 3.552 123.622 120.500 -0.716 0.000 2.472 386 R HA 0.204 4.534 4.340 -0.016 0.000 0.294 386 R C -1.335 174.854 176.300 -0.185 0.000 1.243 386 R CA -0.517 55.417 56.100 -0.277 0.000 1.023 386 R CB 0.793 31.037 30.300 -0.094 0.000 1.157 386 R HN 0.455 nan 8.270 nan 0.000 0.530 387 W N 4.293 125.597 121.300 0.006 0.000 2.316 387 W HA 0.327 4.977 4.660 -0.016 0.000 0.321 387 W C -1.919 174.590 176.519 -0.016 0.000 1.203 387 W CA -2.219 55.150 57.345 0.040 0.000 1.214 387 W CB 0.627 30.077 29.460 -0.017 0.000 1.169 387 W HN 0.275 nan 8.180 nan 0.000 0.561 388 P HA -0.028 nan 4.420 nan 0.000 0.271 388 P C 0.700 177.966 177.300 -0.056 0.000 1.216 388 P CA 0.012 63.117 63.100 0.008 0.000 0.771 388 P CB 0.888 32.457 31.700 -0.218 0.000 0.864 389 V N 3.123 123.043 119.914 0.010 0.000 2.332 389 V HA -0.290 3.820 4.120 -0.016 0.000 0.248 389 V C 2.220 178.327 176.094 0.023 0.000 1.055 389 V CA 2.597 64.915 62.300 0.030 0.000 1.038 389 V CB -1.786 30.107 31.823 0.116 0.000 0.651 389 V HN 0.774 nan 8.190 nan 0.000 0.450 390 H N -0.802 118.329 119.070 0.101 0.000 2.489 390 H HA -0.140 4.407 4.556 -0.016 0.000 0.295 390 H C 1.965 177.347 175.328 0.090 0.000 1.082 390 H CA 1.922 58.026 56.048 0.094 0.000 1.295 390 H CB -0.443 29.374 29.762 0.091 0.000 1.380 390 H HN 0.404 nan 8.280 nan 0.000 0.548 391 L N -0.336 120.712 121.223 -0.292 0.000 2.127 391 L HA 0.032 4.362 4.340 -0.016 0.000 0.203 391 L C 2.161 178.983 176.870 -0.080 0.000 1.080 391 L CA 0.610 55.377 54.840 -0.121 0.000 0.768 391 L CB -0.071 41.890 42.059 -0.163 0.000 0.924 391 L HN 0.328 nan 8.230 nan 0.000 0.444 392 L N -0.418 120.739 121.223 -0.110 0.000 2.093 392 L HA -0.230 4.100 4.340 -0.016 0.000 0.208 392 L C 2.360 179.181 176.870 -0.080 0.000 1.085 392 L CA 1.068 55.823 54.840 -0.142 0.000 0.755 392 L CB -0.381 41.583 42.059 -0.158 0.000 0.904 392 L HN 0.304 nan 8.230 nan 0.000 0.435 393 E N -0.253 119.941 120.200 -0.010 0.000 2.033 393 E HA -0.239 4.101 4.350 -0.016 0.000 0.199 393 E C 2.026 178.674 176.600 0.080 0.000 1.011 393 E CA 2.306 58.736 56.400 0.049 0.000 0.815 393 E CB 0.038 29.802 29.700 0.107 0.000 0.755 393 E HN 0.407 nan 8.360 nan 0.000 0.451 394 T N 0.943 115.566 114.554 0.115 0.000 2.643 394 T HA -0.165 4.175 4.350 -0.016 0.000 0.264 394 T C 1.824 176.626 174.700 0.171 0.000 1.045 394 T CA 1.197 63.412 62.100 0.192 0.000 1.155 394 T CB -0.321 68.692 68.868 0.242 0.000 0.863 394 T HN 0.061 nan 8.240 nan 0.000 0.420 395 L N -0.128 121.097 121.223 0.004 0.000 2.109 395 L HA 0.267 4.597 4.340 -0.016 0.000 0.207 395 L C 0.267 177.078 176.870 -0.098 0.000 1.086 395 L CA 1.607 56.327 54.840 -0.200 0.000 0.760 395 L CB -0.060 41.861 42.059 -0.230 0.000 0.910 395 L HN 0.209 nan 8.230 nan 0.000 0.437 396 L N 0.233 121.381 121.223 -0.125 0.000 2.470 396 L HA 0.301 4.632 4.340 -0.016 0.000 0.256 396 L C -1.814 174.918 176.870 -0.230 0.000 1.357 396 L CA -0.900 53.805 54.840 -0.225 0.000 0.902 396 L CB 1.159 42.926 42.059 -0.488 0.000 1.121 396 L HN -0.133 nan 8.230 nan 0.000 0.507 397 P HA -0.163 nan 4.420 nan 0.000 0.217 397 P C 1.494 178.635 177.300 -0.266 0.000 1.150 397 P CA 1.059 64.079 63.100 -0.133 0.000 0.832 397 P CB 0.416 32.117 31.700 0.002 0.000 0.787 398 R N -0.323 119.834 120.500 -0.571 0.000 2.092 398 R HA -0.147 4.184 4.340 -0.016 0.000 0.231 398 R C 2.313 178.310 176.300 -0.505 0.000 1.119 398 R CA 1.548 57.299 56.100 -0.583 0.000 0.970 398 R CB -1.353 28.422 30.300 -0.876 0.000 0.864 398 R HN 0.229 nan 8.270 nan 0.000 0.440 399 H N -0.447 118.327 119.070 -0.493 0.000 2.387 399 H HA -0.049 4.497 4.556 -0.016 0.000 0.299 399 H C 1.795 176.970 175.328 -0.255 0.000 1.090 399 H CA 1.715 57.550 56.048 -0.354 0.000 1.332 399 H CB -0.036 29.480 29.762 -0.409 0.000 1.386 399 H HN 0.108 nan 8.280 nan 0.000 0.516 400 L N 0.450 121.577 121.223 -0.160 0.000 2.046 400 L HA -0.250 4.081 4.340 -0.016 0.000 0.208 400 L C 2.000 178.757 176.870 -0.189 0.000 1.077 400 L CA 1.509 56.210 54.840 -0.231 0.000 0.747 400 L CB -0.273 41.680 42.059 -0.176 0.000 0.896 400 L HN 0.451 nan 8.230 nan 0.000 0.432 401 Q N -0.234 119.545 119.800 -0.034 0.000 2.061 401 Q HA -0.257 4.074 4.340 -0.016 0.000 0.204 401 Q C 2.159 178.207 176.000 0.079 0.000 0.984 401 Q CA 1.816 57.673 55.803 0.090 0.000 0.846 401 Q CB -0.181 28.586 28.738 0.047 0.000 0.902 401 Q HN 0.557 nan 8.270 nan 0.000 0.421 402 I N 0.338 120.921 120.570 0.023 0.000 2.315 402 I HA -0.268 3.892 4.170 -0.016 0.000 0.248 402 I C 2.168 178.369 176.117 0.139 0.000 1.117 402 I CA 0.990 62.375 61.300 0.142 0.000 1.404 402 I CB -0.183 37.835 38.000 0.030 0.000 1.071 402 I HN 0.190 nan 8.210 nan 0.000 0.419 403 I N -0.458 120.114 120.570 0.002 0.000 2.179 403 I HA -0.318 3.842 4.170 -0.016 0.000 0.242 403 I C 2.441 178.561 176.117 0.004 0.000 1.088 403 I CA 1.498 62.777 61.300 -0.036 0.000 1.357 403 I CB -0.426 37.483 38.000 -0.152 0.000 1.051 403 I HN 0.125 nan 8.210 nan 0.000 0.409 404 Y N 0.917 121.227 120.300 0.016 0.000 2.165 404 Y HA -0.301 4.239 4.550 -0.016 0.000 0.286 404 Y C 2.621 178.491 175.900 -0.049 0.000 1.155 404 Y CA 1.803 59.899 58.100 -0.008 0.000 1.164 404 Y CB -0.712 37.736 38.460 -0.020 0.000 0.978 404 Y HN 0.226 nan 8.280 nan 0.000 0.513 405 E N 0.203 120.455 120.200 0.087 0.000 2.152 405 E HA -0.118 4.222 4.350 -0.016 0.000 0.192 405 E C 1.988 178.498 176.600 -0.150 0.000 0.983 405 E CA 1.080 57.389 56.400 -0.153 0.000 0.818 405 E CB -0.499 28.983 29.700 -0.363 0.000 0.758 405 E HN 0.488 nan 8.360 nan 0.000 0.467 406 I N 0.624 121.222 120.570 0.047 0.000 2.202 406 I HA -0.254 3.907 4.170 -0.016 0.000 0.242 406 I C 2.314 178.427 176.117 -0.007 0.000 1.091 406 I CA 1.357 62.644 61.300 -0.022 0.000 1.368 406 I CB -0.412 37.588 38.000 -0.000 0.000 1.058 406 I HN 0.217 nan 8.210 nan 0.000 0.410 407 N N 0.828 119.571 118.700 0.073 0.000 2.043 407 N HA -0.293 4.437 4.740 -0.016 0.000 0.193 407 N C 1.881 177.474 175.510 0.138 0.000 1.037 407 N CA 1.764 54.907 53.050 0.155 0.000 0.851 407 N CB -0.176 38.416 38.487 0.174 0.000 1.027 407 N HN 0.266 nan 8.380 nan 0.000 0.422 408 Q N -0.198 119.633 119.800 0.052 0.000 2.062 408 Q HA -0.189 4.142 4.340 -0.016 0.000 0.209 408 Q C 2.092 178.070 176.000 -0.038 0.000 0.996 408 Q CA 1.951 57.746 55.803 -0.014 0.000 0.859 408 Q CB -0.033 28.656 28.738 -0.082 0.000 0.920 408 Q HN 0.401 nan 8.270 nan 0.000 0.415 409 R N -0.928 119.523 120.500 -0.083 0.000 2.092 409 R HA -0.103 4.227 4.340 -0.016 0.000 0.231 409 R C 2.092 178.400 176.300 0.013 0.000 1.119 409 R CA 1.216 57.261 56.100 -0.092 0.000 0.970 409 R CB -0.341 29.842 30.300 -0.195 0.000 0.864 409 R HN 0.271 nan 8.270 nan 0.000 0.440 410 F N 1.347 121.257 119.950 -0.068 0.000 2.146 410 F HA -0.095 4.422 4.527 -0.016 0.000 0.298 410 F C 1.739 177.553 175.800 0.025 0.000 1.096 410 F CA 1.339 59.350 58.000 0.019 0.000 1.275 410 F CB -0.138 38.903 39.000 0.069 0.000 1.008 410 F HN -0.110 nan 8.300 nan 0.000 0.480 411 L N 0.058 121.276 121.223 -0.008 0.000 2.191 411 L HA -0.235 4.095 4.340 -0.016 0.000 0.212 411 L C 1.910 178.707 176.870 -0.122 0.000 1.103 411 L CA 1.582 56.363 54.840 -0.098 0.000 0.769 411 L CB -0.821 41.245 42.059 0.012 0.000 0.908 411 L HN 0.251 nan 8.230 nan 0.000 0.438 412 N N -0.345 118.301 118.700 -0.091 0.000 2.244 412 N HA -0.149 4.581 4.740 -0.016 0.000 0.183 412 N C 1.890 177.341 175.510 -0.099 0.000 1.016 412 N CA 0.514 53.516 53.050 -0.082 0.000 0.866 412 N CB 0.000 38.448 38.487 -0.066 0.000 0.980 412 N HN 0.250 nan 8.380 nan 0.000 0.430 413 R N 0.578 120.996 120.500 -0.137 0.000 2.092 413 R HA -0.030 4.301 4.340 -0.016 0.000 0.231 413 R C 2.049 178.245 176.300 -0.173 0.000 1.119 413 R CA 0.747 56.763 56.100 -0.139 0.000 0.970 413 R CB -0.041 30.184 30.300 -0.125 0.000 0.864 413 R HN 0.065 nan 8.270 nan 0.000 0.440 414 V N 0.461 120.220 119.914 -0.258 0.000 2.323 414 V HA -0.188 3.922 4.120 -0.016 0.000 0.244 414 V C 2.367 178.456 176.094 -0.008 0.000 1.041 414 V CA 1.858 64.073 62.300 -0.142 0.000 1.025 414 V CB -0.764 30.902 31.823 -0.262 0.000 0.656 414 V HN 0.403 nan 8.190 nan 0.000 0.451 415 A N 0.348 123.137 122.820 -0.053 0.000 1.892 415 A HA -0.213 4.097 4.320 -0.016 0.000 0.218 415 A C 2.378 179.943 177.584 -0.032 0.000 1.188 415 A CA 2.532 54.555 52.037 -0.024 0.000 0.631 415 A CB -0.860 18.116 19.000 -0.040 0.000 0.822 415 A HN 0.609 nan 8.150 nan 0.000 0.447 416 A N -0.874 121.909 122.820 -0.063 0.000 2.014 416 A HA 0.328 4.638 4.320 -0.016 0.000 0.218 416 A C 2.375 179.877 177.584 -0.137 0.000 1.163 416 A CA 1.693 53.681 52.037 -0.081 0.000 0.652 416 A CB -0.673 18.283 19.000 -0.073 0.000 0.808 416 A HN 0.996 nan 8.150 nan 0.000 0.449 417 A N -1.315 121.391 122.820 -0.191 0.000 1.935 417 A HA 0.356 4.667 4.320 -0.016 0.000 0.214 417 A C 0.415 177.564 177.584 -0.724 0.000 1.178 417 A CA 0.501 52.268 52.037 -0.450 0.000 0.640 417 A CB -0.181 18.516 19.000 -0.505 0.000 0.825 417 A HN 0.407 nan 8.150 nan 0.000 0.447 418 F N 0.370 120.271 119.950 -0.080 0.000 2.564 418 F HA 0.363 4.880 4.527 -0.016 0.000 0.361 418 F C -2.766 172.997 175.800 -0.061 0.000 1.161 418 F CA -2.819 55.139 58.000 -0.070 0.000 1.198 418 F CB 1.038 39.989 39.000 -0.081 0.000 1.424 418 F HN -0.054 nan 8.300 nan 0.000 0.517 419 P HA 0.240 nan 4.420 nan 0.000 0.271 419 P C 0.955 178.275 177.300 0.034 0.000 1.226 419 P CA 0.646 63.758 63.100 0.019 0.000 0.765 419 P CB 1.075 32.768 31.700 -0.012 0.000 0.835 420 G N 2.703 111.517 108.800 0.023 0.000 2.199 420 G HA2 -0.232 3.718 3.960 -0.016 0.000 0.254 420 G HA3 -0.232 3.718 3.960 -0.016 0.000 0.254 420 G C 0.310 175.221 174.900 0.018 0.000 0.982 420 G CA -0.108 45.002 45.100 0.017 0.000 0.632 420 G HN 0.578 nan 8.290 nan 0.000 0.529 421 D N 1.610 122.030 120.400 0.034 0.000 2.551 421 D HA 0.364 4.995 4.640 -0.016 0.000 0.223 421 D C 2.150 178.439 176.300 -0.017 0.000 1.144 421 D CA 0.460 54.464 54.000 0.006 0.000 1.025 421 D CB 0.377 41.177 40.800 0.000 0.000 1.085 421 D HN 0.566 nan 8.370 nan 0.000 0.506 422 V N 0.548 120.454 119.914 -0.013 0.000 2.515 422 V HA -0.151 3.959 4.120 -0.016 0.000 0.250 422 V C 1.817 177.900 176.094 -0.018 0.000 1.058 422 V CA 1.485 63.777 62.300 -0.013 0.000 1.064 422 V CB -0.468 31.352 31.823 -0.005 0.000 0.675 422 V HN 0.210 nan 8.190 nan 0.000 0.461 423 D N 0.358 120.744 120.400 -0.024 0.000 2.178 423 D HA -0.169 4.461 4.640 -0.016 0.000 0.202 423 D C 2.342 178.615 176.300 -0.044 0.000 0.974 423 D CA 1.267 55.253 54.000 -0.023 0.000 0.841 423 D CB -0.181 40.606 40.800 -0.021 0.000 0.953 423 D HN 0.421 nan 8.370 nan 0.000 0.478 424 R N -0.103 120.345 120.500 -0.088 0.000 2.081 424 R HA -0.104 4.226 4.340 -0.016 0.000 0.235 424 R C 2.286 178.516 176.300 -0.116 0.000 1.131 424 R CA 0.962 56.972 56.100 -0.151 0.000 0.960 424 R CB -0.287 29.859 30.300 -0.257 0.000 0.856 424 R HN 0.263 nan 8.270 nan 0.000 0.436 425 L N 0.568 121.747 121.223 -0.072 0.000 2.042 425 L HA -0.232 4.098 4.340 -0.016 0.000 0.210 425 L C 2.708 179.582 176.870 0.008 0.000 1.076 425 L CA 2.039 56.856 54.840 -0.038 0.000 0.749 425 L CB -0.460 41.587 42.059 -0.020 0.000 0.893 425 L HN 0.342 nan 8.230 nan 0.000 0.432 426 R N -0.374 120.137 120.500 0.018 0.000 2.127 426 R HA -0.048 4.282 4.340 -0.016 0.000 0.217 426 R C 2.233 178.588 176.300 0.091 0.000 1.074 426 R CA 0.569 56.704 56.100 0.058 0.000 0.991 426 R CB -0.394 29.935 30.300 0.049 0.000 0.895 426 R HN 0.164 nan 8.270 nan 0.000 0.450 427 R N 0.340 120.876 120.500 0.059 0.000 2.096 427 R HA 0.065 4.395 4.340 -0.016 0.000 0.235 427 R C 1.974 178.361 176.300 0.146 0.000 1.127 427 R CA 1.828 57.988 56.100 0.101 0.000 0.968 427 R CB -0.139 30.180 30.300 0.033 0.000 0.861 427 R HN 0.334 nan 8.270 nan 0.000 0.440 428 M N -0.141 119.468 119.600 0.015 0.000 2.509 428 M HA 0.046 4.516 4.480 -0.016 0.000 0.250 428 M C 0.837 177.271 176.300 0.222 0.000 1.132 428 M CA -0.053 55.192 55.300 -0.093 0.000 1.080 428 M CB 0.523 32.912 32.600 -0.351 0.000 1.408 428 M HN -0.079 nan 8.290 nan 0.000 0.484 429 S N 1.121 116.968 115.700 0.245 0.000 2.558 429 S HA 0.040 4.501 4.470 -0.016 0.000 0.287 429 S C 1.099 175.938 174.600 0.398 0.000 1.321 429 S CA -0.187 58.187 58.200 0.291 0.000 1.048 429 S CB 0.547 63.868 63.200 0.202 0.000 0.844 429 S HN 0.378 nan 8.310 nan 0.000 0.512 430 L N 3.835 125.245 121.223 0.311 0.000 2.478 430 L HA 0.143 4.474 4.340 -0.016 0.000 0.223 430 L C 0.165 177.132 176.870 0.162 0.000 1.140 430 L CA 0.159 55.142 54.840 0.237 0.000 0.842 430 L CB -0.369 41.772 42.059 0.136 0.000 0.953 430 L HN 0.367 nan 8.230 nan 0.000 0.452 431 V N 0.517 120.540 119.914 0.182 0.000 2.398 431 V HA 0.222 4.332 4.120 -0.016 0.000 0.286 431 V C -0.092 176.090 176.094 0.147 0.000 1.026 431 V CA -0.632 61.764 62.300 0.159 0.000 0.868 431 V CB 1.757 33.706 31.823 0.211 0.000 0.982 431 V HN 0.152 nan 8.190 nan 0.000 0.443 432 E N 2.942 123.212 120.200 0.116 0.000 2.191 432 E HA 0.465 4.806 4.350 -0.016 0.000 0.278 432 E C -0.588 176.070 176.600 0.095 0.000 0.972 432 E CA -0.542 55.919 56.400 0.102 0.000 0.804 432 E CB 2.189 31.935 29.700 0.077 0.000 1.110 432 E HN 0.643 nan 8.360 nan 0.000 0.394 433 E N 0.698 120.950 120.200 0.086 0.000 4.367 433 E HA 0.531 4.871 4.350 -0.016 0.000 0.345 433 E C 0.183 176.824 176.600 0.067 0.000 1.312 433 E CA 0.665 57.110 56.400 0.076 0.000 2.005 433 E CB 0.245 29.984 29.700 0.065 0.000 1.642 433 E HN 0.634 nan 8.360 nan 0.000 0.783 434 G N -0.728 108.107 108.800 0.057 0.000 2.855 434 G HA2 0.049 3.999 3.960 -0.016 0.000 0.352 434 G HA3 0.049 3.999 3.960 -0.016 0.000 0.352 434 G C 0.739 175.672 174.900 0.056 0.000 1.415 434 G CA 0.139 45.269 45.100 0.051 0.000 0.871 434 G HN 0.993 nan 8.290 nan 0.000 0.543 435 A N -1.169 121.681 122.820 0.049 0.000 2.670 435 A HA 0.005 4.316 4.320 -0.016 0.000 0.276 435 A C 1.966 179.591 177.584 0.068 0.000 1.338 435 A CA 4.479 56.547 52.037 0.052 0.000 1.103 435 A CB -1.864 17.165 19.000 0.048 0.000 0.491 435 A HN 2.575 nan 8.150 nan 0.000 0.413 436 V N -2.068 117.896 119.914 0.084 0.000 2.649 436 V HA 0.478 4.588 4.120 -0.016 0.000 0.292 436 V C 0.394 176.556 176.094 0.114 0.000 1.055 436 V CA -0.730 61.641 62.300 0.119 0.000 1.023 436 V CB 0.966 32.881 31.823 0.153 0.000 0.992 436 V HN 0.543 nan 8.190 nan 0.000 0.480 437 K N 3.522 124.001 120.400 0.131 0.000 2.276 437 K HA 0.499 4.809 4.320 -0.016 0.000 0.283 437 K C -0.327 176.341 176.600 0.114 0.000 1.044 437 K CA -0.288 56.072 56.287 0.122 0.000 0.944 437 K CB 0.967 33.550 32.500 0.137 0.000 1.012 437 K HN 0.703 nan 8.250 nan 0.000 0.472 438 R N 2.140 122.698 120.500 0.097 0.000 2.807 438 R HA 0.473 4.804 4.340 -0.016 0.000 0.276 438 R C -0.576 175.765 176.300 0.069 0.000 0.979 438 R CA -0.970 55.180 56.100 0.082 0.000 0.928 438 R CB 1.381 31.720 30.300 0.065 0.000 1.191 438 R HN 0.383 nan 8.270 nan 0.000 0.471 439 I N 2.254 122.863 120.570 0.064 0.000 2.312 439 I HA 0.140 4.300 4.170 -0.016 0.000 0.290 439 I C -0.096 176.022 176.117 0.002 0.000 1.008 439 I CA -0.723 60.598 61.300 0.036 0.000 1.226 439 I CB 0.916 38.929 38.000 0.020 0.000 1.371 439 I HN 0.498 nan 8.210 nan 0.000 0.468 440 N N 7.210 125.880 118.700 -0.049 0.000 2.399 440 N HA 0.079 4.809 4.740 -0.016 0.000 0.259 440 N C 0.822 176.245 175.510 -0.145 0.000 1.160 440 N CA -0.211 52.736 53.050 -0.172 0.000 0.946 440 N CB 0.965 39.209 38.487 -0.406 0.000 1.156 440 N HN 0.394 nan 8.380 nan 0.000 0.489 441 M N 2.458 121.975 119.600 -0.139 0.000 2.319 441 M HA -0.027 4.443 4.480 -0.016 0.000 0.265 441 M C 1.865 178.032 176.300 -0.221 0.000 1.068 441 M CA 0.561 55.790 55.300 -0.118 0.000 1.118 441 M CB -1.341 31.228 32.600 -0.053 0.000 1.395 441 M HN 0.600 nan 8.290 nan 0.000 0.435 442 A N -0.369 122.310 122.820 -0.234 0.000 1.898 442 A HA -0.157 4.154 4.320 -0.016 0.000 0.216 442 A C 1.951 179.288 177.584 -0.411 0.000 1.181 442 A CA 1.328 53.181 52.037 -0.307 0.000 0.620 442 A CB -1.096 17.905 19.000 0.001 0.000 0.819 442 A HN 0.567 nan 8.150 nan 0.000 0.442 443 H N -0.976 117.855 119.070 -0.398 0.000 2.387 443 H HA -0.051 4.495 4.556 -0.016 0.000 0.299 443 H C 2.112 177.202 175.328 -0.396 0.000 1.090 443 H CA 1.004 56.781 56.048 -0.451 0.000 1.332 443 H CB -0.062 29.666 29.762 -0.057 0.000 1.386 443 H HN 0.364 nan 8.280 nan 0.000 0.516 444 L N 0.289 121.417 121.223 -0.158 0.000 2.017 444 L HA -0.233 4.097 4.340 -0.016 0.000 0.208 444 L C 2.373 179.087 176.870 -0.260 0.000 1.073 444 L CA 1.208 55.950 54.840 -0.164 0.000 0.745 444 L CB -0.386 41.608 42.059 -0.108 0.000 0.894 444 L HN 0.448 nan 8.230 nan 0.000 0.432 445 C N 0.030 119.065 119.300 -0.441 0.000 2.429 445 C HA -0.188 4.262 4.460 -0.016 0.000 0.277 445 C C 2.663 177.344 174.990 -0.514 0.000 1.262 445 C CA 0.732 59.377 59.018 -0.622 0.000 1.733 445 C CB -0.716 26.199 27.740 -1.375 0.000 2.010 445 C HN 0.500 nan 8.230 nan 0.000 0.483 446 I N 1.159 121.391 120.570 -0.563 0.000 2.252 446 I HA -0.167 3.993 4.170 -0.016 0.000 0.245 446 I C 2.753 178.732 176.117 -0.231 0.000 1.102 446 I CA 1.561 62.608 61.300 -0.422 0.000 1.385 446 I CB -0.621 36.993 38.000 -0.643 0.000 1.064 446 I HN 0.258 nan 8.210 nan 0.000 0.414 447 A N 0.719 123.372 122.820 -0.278 0.000 1.933 447 A HA -0.101 4.209 4.320 -0.016 0.000 0.218 447 A C 2.206 179.851 177.584 0.102 0.000 1.175 447 A CA 1.909 53.829 52.037 -0.195 0.000 0.628 447 A CB -1.144 17.510 19.000 -0.577 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.149 107.647 108.800 -0.007 0.000 3.284 448 G HA2 0.419 4.370 3.960 -0.016 0.000 0.236 448 G HA3 0.419 4.370 3.960 -0.016 0.000 0.236 448 G C 0.086 174.826 174.900 -0.267 0.000 1.158 448 G CA 0.474 45.451 45.100 -0.206 0.000 0.774 448 G HN 0.348 nan 8.290 nan 0.000 0.545 449 S N -0.432 115.167 115.700 -0.168 0.000 2.536 449 S HA 0.332 4.793 4.470 -0.016 0.000 0.298 449 S C 0.766 175.316 174.600 -0.083 0.000 1.083 449 S CA -0.713 57.408 58.200 -0.132 0.000 0.995 449 S CB 1.322 64.448 63.200 -0.124 0.000 1.058 449 S HN 0.503 nan 8.310 nan 0.000 0.488 450 H N -0.107 118.935 119.070 -0.046 0.000 2.544 450 H HA 0.484 5.030 4.556 -0.016 0.000 0.269 450 H C 0.199 175.526 175.328 -0.003 0.000 0.970 450 H CA 0.284 56.331 56.048 -0.001 0.000 1.219 450 H CB 0.174 29.949 29.762 0.021 0.000 1.421 450 H HN 0.511 nan 8.280 nan 0.000 0.555 451 A N 1.062 123.595 122.820 -0.478 0.000 2.475 451 A HA 0.580 4.890 4.320 -0.016 0.000 0.301 451 A C -1.339 176.065 177.584 -0.299 0.000 1.059 451 A CA -0.592 51.243 52.037 -0.335 0.000 0.710 451 A CB 2.419 21.219 19.000 -0.335 0.000 1.288 451 A HN 0.102 nan 8.150 nan 0.000 0.408 452 V N 3.852 123.552 119.914 -0.357 0.000 2.525 452 V HA 0.495 4.605 4.120 -0.016 0.000 0.299 452 V C -0.850 175.068 176.094 -0.294 0.000 1.034 452 V CA -0.813 61.266 62.300 -0.369 0.000 0.863 452 V CB 1.754 33.181 31.823 -0.660 0.000 0.999 452 V HN 1.021 nan 8.190 nan 0.000 0.423 453 N N 3.117 121.672 118.700 -0.241 0.000 2.240 453 N HA 0.641 5.371 4.740 -0.016 0.000 0.302 453 N C -0.220 175.198 175.510 -0.153 0.000 1.106 453 N CA -0.362 52.585 53.050 -0.172 0.000 0.778 453 N CB 2.965 41.332 38.487 -0.200 0.000 1.431 453 N HN 0.631 nan 8.380 nan 0.000 0.479 454 G N -0.802 107.942 108.800 -0.095 0.000 2.557 454 G HA2 0.437 4.388 3.960 -0.016 0.000 0.302 454 G HA3 0.437 4.388 3.960 -0.016 0.000 0.302 454 G C 0.668 175.633 174.900 0.108 0.000 1.311 454 G CA -0.379 44.724 45.100 0.004 0.000 1.030 454 G HN 0.676 nan 8.290 nan 0.000 0.509 455 V N -4.232 115.859 119.914 0.294 0.000 3.380 455 V HA 0.714 4.824 4.120 -0.016 0.000 0.307 455 V C 0.465 176.641 176.094 0.136 0.000 1.434 455 V CA 0.459 62.847 62.300 0.146 0.000 1.075 455 V CB -0.517 31.351 31.823 0.075 0.000 0.954 455 V HN 1.389 nan 8.190 nan 0.000 0.444 456 A N 0.040 122.952 122.820 0.152 0.000 2.605 456 A HA 0.659 4.969 4.320 -0.016 0.000 0.294 456 A C 0.679 178.314 177.584 0.086 0.000 1.062 456 A CA -0.065 52.038 52.037 0.111 0.000 0.682 456 A CB 1.294 20.349 19.000 0.091 0.000 1.278 456 A HN 0.062 nan 8.150 nan 0.000 0.410 457 R N 0.866 121.396 120.500 0.050 0.000 2.094 457 R HA -0.173 4.157 4.340 -0.016 0.000 0.239 457 R C 1.687 177.987 176.300 -0.000 0.000 1.137 457 R CA 2.341 58.448 56.100 0.012 0.000 0.943 457 R CB -0.276 30.026 30.300 0.002 0.000 0.850 457 R HN 0.826 nan 8.270 nan 0.000 0.433 458 I N 0.304 120.882 120.570 0.014 0.000 2.286 458 I HA -0.305 3.855 4.170 -0.016 0.000 0.248 458 I C 2.326 178.450 176.117 0.013 0.000 1.115 458 I CA 1.979 63.280 61.300 0.001 0.000 1.392 458 I CB -0.234 37.767 38.000 0.001 0.000 1.065 458 I HN 0.381 nan 8.210 nan 0.000 0.418 459 H N 0.228 119.268 119.070 -0.050 0.000 2.357 459 H HA -0.103 4.443 4.556 -0.016 0.000 0.301 459 H C 2.237 177.525 175.328 -0.067 0.000 1.082 459 H CA 2.147 58.157 56.048 -0.063 0.000 1.342 459 H CB -0.193 29.535 29.762 -0.056 0.000 1.389 459 H HN 0.248 nan 8.280 nan 0.000 0.511 460 S N 0.352 115.926 115.700 -0.210 0.000 2.402 460 S HA -0.110 4.350 4.470 -0.016 0.000 0.229 460 S C 1.876 176.357 174.600 -0.198 0.000 1.021 460 S CA 1.016 59.076 58.200 -0.233 0.000 0.974 460 S CB -0.049 63.089 63.200 -0.104 0.000 0.800 460 S HN 0.450 nan 8.310 nan 0.000 0.484 461 E N 1.412 121.519 120.200 -0.156 0.000 2.051 461 E HA -0.041 4.299 4.350 -0.016 0.000 0.192 461 E C 2.003 178.493 176.600 -0.184 0.000 0.991 461 E CA 0.787 57.089 56.400 -0.163 0.000 0.799 461 E CB -0.427 29.208 29.700 -0.109 0.000 0.748 461 E HN 0.503 nan 8.360 nan 0.000 0.449 462 I N 0.916 121.387 120.570 -0.166 0.000 2.208 462 I HA -0.291 3.870 4.170 -0.016 0.000 0.245 462 I C 2.400 178.388 176.117 -0.214 0.000 1.097 462 I CA 0.843 62.049 61.300 -0.158 0.000 1.363 462 I CB -0.275 37.661 38.000 -0.106 0.000 1.051 462 I HN 0.060 nan 8.210 nan 0.000 0.413 463 L N 0.310 121.360 121.223 -0.290 0.000 2.079 463 L HA -0.238 4.092 4.340 -0.016 0.000 0.210 463 L C 2.514 179.280 176.870 -0.174 0.000 1.081 463 L CA 1.524 56.195 54.840 -0.281 0.000 0.752 463 L CB -0.640 41.299 42.059 -0.200 0.000 0.896 463 L HN 0.207 nan 8.230 nan 0.000 0.433 464 K N -0.011 120.228 120.400 -0.268 0.000 2.155 464 K HA -0.114 4.196 4.320 -0.016 0.000 0.203 464 K C 2.079 178.503 176.600 -0.294 0.000 1.052 464 K CA 1.005 57.006 56.287 -0.477 0.000 0.948 464 K CB 0.057 32.066 32.500 -0.818 0.000 0.728 464 K HN 0.320 nan 8.250 nan 0.000 0.448 465 K N -0.112 120.169 120.400 -0.199 0.000 2.166 465 K HA -0.027 4.283 4.320 -0.016 0.000 0.201 465 K C 2.118 178.677 176.600 -0.068 0.000 1.052 465 K CA 1.443 57.663 56.287 -0.113 0.000 0.969 465 K CB 0.335 32.775 32.500 -0.099 0.000 0.761 465 K HN 0.251 nan 8.250 nan 0.000 0.459 466 T N -0.602 113.902 114.554 -0.084 0.000 3.507 466 T HA 0.043 4.384 4.350 -0.016 0.000 0.197 466 T C 1.995 176.673 174.700 -0.037 0.000 0.847 466 T CA 0.077 62.143 62.100 -0.057 0.000 1.531 466 T CB -0.770 68.056 68.868 -0.071 0.000 1.834 466 T HN 0.170 nan 8.240 nan 0.000 0.433 467 I N -1.130 119.362 120.570 -0.129 0.000 2.567 467 I HA 0.224 4.385 4.170 -0.016 0.000 0.257 467 I C 1.243 177.428 176.117 0.113 0.000 1.184 467 I CA 1.283 62.509 61.300 -0.123 0.000 1.451 467 I CB -0.507 37.304 38.000 -0.315 0.000 1.089 467 I HN 0.297 nan 8.210 nan 0.000 0.441 468 F N 0.576 120.612 119.950 0.143 0.000 2.735 468 F HA 0.330 4.847 4.527 -0.016 0.000 0.304 468 F C 1.941 177.854 175.800 0.188 0.000 1.119 468 F CA -0.705 57.451 58.000 0.259 0.000 1.280 468 F CB 0.178 39.354 39.000 0.293 0.000 0.994 468 F HN -0.093 nan 8.300 nan 0.000 0.520 469 K N 1.124 121.663 120.400 0.232 0.000 2.059 469 K HA -0.234 4.076 4.320 -0.016 0.000 0.212 469 K C 1.327 177.995 176.600 0.114 0.000 1.050 469 K CA 2.287 58.649 56.287 0.125 0.000 0.927 469 K CB 0.001 32.536 32.500 0.059 0.000 0.714 469 K HN 0.137 nan 8.250 nan 0.000 0.447 470 D N -0.312 120.139 120.400 0.086 0.000 2.117 470 D HA -0.155 4.475 4.640 -0.016 0.000 0.197 470 D C 1.765 177.975 176.300 -0.151 0.000 0.987 470 D CA 1.254 55.173 54.000 -0.136 0.000 0.829 470 D CB -0.264 40.366 40.800 -0.284 0.000 0.961 470 D HN 0.253 nan 8.370 nan 0.000 0.460 471 F N -0.405 119.608 119.950 0.105 0.000 2.206 471 F HA -0.100 4.418 4.527 -0.016 0.000 0.298 471 F C 2.291 178.192 175.800 0.168 0.000 1.090 471 F CA 0.352 58.481 58.000 0.216 0.000 1.323 471 F CB -0.565 38.619 39.000 0.307 0.000 1.028 471 F HN -0.050 nan 8.300 nan 0.000 0.492 472 Y N 1.482 121.703 120.300 -0.131 0.000 2.145 472 Y HA -0.218 4.323 4.550 -0.016 0.000 0.286 472 Y C 2.162 177.981 175.900 -0.135 0.000 1.145 472 Y CA 1.738 59.505 58.100 -0.556 0.000 1.148 472 Y CB -0.665 37.340 38.460 -0.757 0.000 0.981 472 Y HN 0.104 nan 8.280 nan 0.000 0.507 473 E N -0.352 119.733 120.200 -0.192 0.000 2.153 473 E HA -0.206 4.134 4.350 -0.016 0.000 0.194 473 E C 2.007 178.623 176.600 0.026 0.000 0.988 473 E CA 1.235 57.547 56.400 -0.147 0.000 0.811 473 E CB -0.287 29.394 29.700 -0.032 0.000 0.746 473 E HN 0.458 nan 8.360 nan 0.000 0.466 474 L N 0.749 122.030 121.223 0.097 0.000 2.095 474 L HA -0.029 4.301 4.340 -0.016 0.000 0.204 474 L C 0.182 177.121 176.870 0.115 0.000 1.080 474 L CA 1.636 56.584 54.840 0.181 0.000 0.759 474 L CB 0.430 42.595 42.059 0.178 0.000 0.914 474 L HN -0.124 nan 8.230 nan 0.000 0.439 475 E N -0.304 119.950 120.200 0.090 0.000 3.386 475 E HA 0.186 4.527 4.350 -0.016 0.000 0.236 475 E C -2.015 174.523 176.600 -0.104 0.000 1.227 475 E CA -1.226 55.148 56.400 -0.043 0.000 0.970 475 E CB 0.861 30.536 29.700 -0.042 0.000 1.343 475 E HN 0.158 nan 8.360 nan 0.000 0.397 476 P HA -0.220 nan 4.420 nan 0.000 0.221 476 P C 0.992 178.418 177.300 0.209 0.000 1.145 476 P CA 1.267 64.258 63.100 -0.181 0.000 0.795 476 P CB -0.019 31.490 31.700 -0.318 0.000 0.775 477 H N -0.523 118.680 119.070 0.222 0.000 2.529 477 H HA 0.189 4.735 4.556 -0.016 0.000 0.277 477 H C 1.359 176.813 175.328 0.210 0.000 0.999 477 H CA 0.426 56.591 56.048 0.196 0.000 1.256 477 H CB -0.423 29.415 29.762 0.126 0.000 1.402 477 H HN 0.132 nan 8.280 nan 0.000 0.566 478 K N 0.518 120.898 120.400 -0.033 0.000 2.217 478 K HA 0.034 4.344 4.320 -0.016 0.000 0.202 478 K C -0.156 176.365 176.600 -0.131 0.000 1.051 478 K CA 0.412 56.639 56.287 -0.100 0.000 0.952 478 K CB 0.091 32.393 32.500 -0.330 0.000 0.736 478 K HN 0.113 nan 8.250 nan 0.000 0.453 479 F N 1.902 121.899 119.950 0.079 0.000 2.424 479 F HA 0.167 4.684 4.527 -0.016 0.000 0.356 479 F C 0.531 176.347 175.800 0.026 0.000 1.110 479 F CA -0.274 57.770 58.000 0.074 0.000 1.161 479 F CB 0.911 40.005 39.000 0.157 0.000 1.115 479 F HN -0.087 nan 8.300 nan 0.000 0.507 480 Q N 1.745 121.585 119.800 0.067 0.000 2.668 480 Q HA 0.377 4.708 4.340 -0.016 0.000 0.298 480 Q C -1.164 174.805 176.000 -0.052 0.000 1.071 480 Q CA -1.286 54.511 55.803 -0.011 0.000 0.789 480 Q CB 2.947 31.629 28.738 -0.093 0.000 1.497 480 Q HN 0.622 nan 8.270 nan 0.000 0.460 481 N N 0.419 119.068 118.700 -0.085 0.000 2.272 481 N HA 0.310 5.041 4.740 -0.016 0.000 0.305 481 N C -1.502 173.915 175.510 -0.156 0.000 1.103 481 N CA -0.402 52.594 53.050 -0.091 0.000 0.791 481 N CB 1.129 39.584 38.487 -0.054 0.000 1.356 481 N HN 0.290 nan 8.380 nan 0.000 0.486 482 K N 2.567 122.885 120.400 -0.137 0.000 2.803 482 K HA 0.162 4.472 4.320 -0.016 0.000 0.229 482 K C -1.059 175.558 176.600 0.029 0.000 1.084 482 K CA -0.471 55.713 56.287 -0.172 0.000 1.063 482 K CB 1.138 33.319 32.500 -0.532 0.000 1.254 482 K HN 0.560 nan 8.250 nan 0.000 0.551 483 T N 1.962 116.547 114.554 0.051 0.000 2.908 483 T HA 0.019 4.359 4.350 -0.016 0.000 0.301 483 T C 0.788 175.618 174.700 0.218 0.000 1.019 483 T CA 0.486 62.666 62.100 0.133 0.000 1.152 483 T CB 0.237 69.185 68.868 0.133 0.000 0.966 483 T HN 0.338 nan 8.240 nan 0.000 0.540 484 N N 0.603 119.451 118.700 0.247 0.000 2.297 484 N HA 0.415 5.145 4.740 -0.016 0.000 0.232 484 N C 0.480 176.181 175.510 0.317 0.000 1.311 484 N CA -0.212 53.018 53.050 0.301 0.000 0.897 484 N CB 0.412 39.016 38.487 0.194 0.000 1.137 484 N HN 0.759 nan 8.380 nan 0.000 0.449 485 G N -0.551 108.453 108.800 0.339 0.000 2.708 485 G HA2 0.611 4.561 3.960 -0.016 0.000 0.289 485 G HA3 0.611 4.561 3.960 -0.016 0.000 0.289 485 G C -1.238 173.804 174.900 0.237 0.000 1.416 485 G CA -0.732 44.549 45.100 0.302 0.000 0.829 485 G HN 0.596 nan 8.290 nan 0.000 0.480 486 I N -2.233 118.454 120.570 0.194 0.000 2.846 486 I HA 0.762 4.922 4.170 -0.016 0.000 0.307 486 I C -0.134 176.140 176.117 0.262 0.000 1.053 486 I CA -0.935 60.467 61.300 0.171 0.000 1.050 486 I CB 2.482 40.460 38.000 -0.037 0.000 1.239 486 I HN 0.455 nan 8.210 nan 0.000 0.439 487 T N 4.039 118.811 114.554 0.364 0.000 2.794 487 T HA 0.356 4.696 4.350 -0.016 0.000 0.296 487 T C -1.397 173.427 174.700 0.207 0.000 0.949 487 T CA -1.710 60.529 62.100 0.231 0.000 1.101 487 T CB 0.804 69.751 68.868 0.133 0.000 0.905 487 T HN 0.612 nan 8.240 nan 0.000 0.516 488 P HA -0.006 nan 4.420 nan 0.000 0.230 488 P C 1.113 178.378 177.300 -0.058 0.000 1.158 488 P CA 0.497 63.630 63.100 0.055 0.000 0.769 488 P CB 0.362 32.071 31.700 0.014 0.000 0.807 489 R N 0.366 120.785 120.500 -0.136 0.000 2.078 489 R HA -0.002 4.328 4.340 -0.016 0.000 0.224 489 R C 2.707 178.879 176.300 -0.212 0.000 1.149 489 R CA 1.563 57.534 56.100 -0.214 0.000 0.916 489 R CB -1.278 28.894 30.300 -0.214 0.000 0.821 489 R HN 0.024 nan 8.270 nan 0.000 0.434 490 R N -0.664 119.650 120.500 -0.310 0.000 2.083 490 R HA -0.148 4.183 4.340 -0.016 0.000 0.237 490 R C 1.300 177.251 176.300 -0.582 0.000 1.137 490 R CA 1.885 57.639 56.100 -0.577 0.000 0.951 490 R CB -0.242 29.494 30.300 -0.940 0.000 0.851 490 R HN 0.320 nan 8.270 nan 0.000 0.434 491 W N -0.429 120.827 121.300 -0.074 0.000 3.345 491 W HA 0.138 4.788 4.660 -0.017 0.000 0.282 491 W C 1.083 177.572 176.519 -0.050 0.000 1.302 491 W CA -0.672 56.630 57.345 -0.072 0.000 1.724 491 W CB 0.363 29.785 29.460 -0.063 0.000 1.104 491 W HN 0.240 nan 8.180 nan 0.000 0.694 492 L N -2.227 119.050 121.223 0.089 0.000 2.865 492 L HA 0.195 4.525 4.340 -0.016 0.000 0.167 492 L C 1.809 178.694 176.870 0.025 0.000 1.135 492 L CA 0.770 55.659 54.840 0.081 0.000 0.895 492 L CB -0.884 41.255 42.059 0.133 0.000 1.643 492 L HN -0.259 nan 8.230 nan 0.000 0.518 493 V N 0.885 120.792 119.914 -0.012 0.000 2.332 493 V HA -0.275 3.835 4.120 -0.016 0.000 0.248 493 V C 2.453 178.516 176.094 -0.052 0.000 1.055 493 V CA 2.529 64.810 62.300 -0.031 0.000 1.038 493 V CB -0.587 31.182 31.823 -0.091 0.000 0.651 493 V HN 0.468 nan 8.190 nan 0.000 0.450 494 L N 0.137 121.297 121.223 -0.105 0.000 2.049 494 L HA -0.145 4.185 4.340 -0.016 0.000 0.203 494 L C 2.537 179.335 176.870 -0.121 0.000 1.074 494 L CA 2.071 56.832 54.840 -0.132 0.000 0.749 494 L CB -0.241 41.688 42.059 -0.217 0.000 0.907 494 L HN 0.650 nan 8.230 nan 0.000 0.439 495 C N -1.853 117.367 119.300 -0.134 0.000 2.495 495 C HA 0.149 4.600 4.460 -0.016 0.000 0.275 495 C C 1.206 176.175 174.990 -0.037 0.000 1.392 495 C CA -0.236 58.723 59.018 -0.099 0.000 1.766 495 C CB -0.928 26.751 27.740 -0.102 0.000 1.933 495 C HN 0.548 nan 8.230 nan 0.000 0.519 496 N N 1.121 119.814 118.700 -0.013 0.000 2.733 496 N HA 0.301 5.032 4.740 -0.016 0.000 0.271 496 N C -1.897 173.626 175.510 0.021 0.000 1.720 496 N CA -1.587 51.470 53.050 0.011 0.000 0.803 496 N CB 0.825 39.328 38.487 0.028 0.000 1.208 496 N HN 0.232 nan 8.380 nan 0.000 0.498 497 P HA -0.023 nan 4.420 nan 0.000 0.217 497 P C 1.465 178.783 177.300 0.030 0.000 1.150 497 P CA 0.909 64.021 63.100 0.021 0.000 0.832 497 P CB 0.206 31.911 31.700 0.008 0.000 0.787 498 G N 0.934 109.748 108.800 0.023 0.000 2.529 498 G HA2 -0.291 3.660 3.960 -0.016 0.000 0.219 498 G HA3 -0.291 3.660 3.960 -0.016 0.000 0.219 498 G C 1.527 176.443 174.900 0.026 0.000 1.177 498 G CA 1.046 46.159 45.100 0.021 0.000 0.773 498 G HN 0.259 nan 8.290 nan 0.000 0.573 499 L N 1.304 122.543 121.223 0.026 0.000 2.093 499 L HA 0.226 4.557 4.340 -0.016 0.000 0.208 499 L C 3.096 179.994 176.870 0.048 0.000 1.085 499 L CA 2.025 56.880 54.840 0.025 0.000 0.755 499 L CB -0.755 41.317 42.059 0.022 0.000 0.904 499 L HN 0.259 nan 8.230 nan 0.000 0.435 500 A N -0.881 121.985 122.820 0.076 0.000 1.972 500 A HA -0.239 4.071 4.320 -0.016 0.000 0.219 500 A C 2.235 179.901 177.584 0.137 0.000 1.169 500 A CA 1.740 53.864 52.037 0.146 0.000 0.635 500 A CB -0.585 18.505 19.000 0.149 0.000 0.810 500 A HN 0.534 nan 8.150 nan 0.000 0.446 501 E N 0.763 121.014 120.200 0.084 0.000 2.046 501 E HA -0.147 4.193 4.350 -0.016 0.000 0.190 501 E C 1.872 178.508 176.600 0.059 0.000 0.982 501 E CA 1.506 57.948 56.400 0.070 0.000 0.800 501 E CB -0.521 29.207 29.700 0.047 0.000 0.756 501 E HN 0.723 nan 8.360 nan 0.000 0.449 502 I N -1.439 119.167 120.570 0.061 0.000 2.361 502 I HA -0.174 3.986 4.170 -0.016 0.000 0.251 502 I C 2.120 178.289 176.117 0.088 0.000 1.133 502 I CA 1.228 62.584 61.300 0.093 0.000 1.413 502 I CB -0.408 37.663 38.000 0.119 0.000 1.073 502 I HN 0.033 nan 8.210 nan 0.000 0.424 503 I N 2.073 122.659 120.570 0.027 0.000 2.226 503 I HA -0.221 3.940 4.170 -0.016 0.000 0.245 503 I C 3.033 179.050 176.117 -0.167 0.000 1.100 503 I CA 1.438 62.651 61.300 -0.145 0.000 1.374 503 I CB -0.548 37.231 38.000 -0.367 0.000 1.057 503 I HN 0.322 nan 8.210 nan 0.000 0.413 504 A N 0.367 123.180 122.820 -0.011 0.000 1.930 504 A HA -0.201 4.109 4.320 -0.016 0.000 0.217 504 A C 2.179 179.772 177.584 0.014 0.000 1.175 504 A CA 1.435 53.525 52.037 0.090 0.000 0.627 504 A CB -0.550 18.560 19.000 0.183 0.000 0.815 504 A HN 0.423 nan 8.150 nan 0.000 0.443 505 E N -0.468 119.727 120.200 -0.007 0.000 2.097 505 E HA -0.226 4.114 4.350 -0.016 0.000 0.196 505 E C 2.229 178.784 176.600 -0.076 0.000 1.000 505 E CA 1.347 57.734 56.400 -0.022 0.000 0.804 505 E CB -0.107 29.590 29.700 -0.004 0.000 0.740 505 E HN 0.463 nan 8.360 nan 0.000 0.454 506 R N 0.082 120.469 120.500 -0.188 0.000 2.112 506 R HA 0.037 4.367 4.340 -0.016 0.000 0.216 506 R C 2.252 178.430 176.300 -0.204 0.000 1.080 506 R CA 0.936 56.848 56.100 -0.314 0.000 0.996 506 R CB -0.179 29.610 30.300 -0.852 0.000 0.902 506 R HN 0.368 nan 8.270 nan 0.000 0.449 507 I N -3.949 116.520 120.570 -0.169 0.000 4.310 507 I HA 0.447 4.608 4.170 -0.016 0.000 0.328 507 I C 0.441 176.571 176.117 0.021 0.000 1.406 507 I CA 0.024 61.280 61.300 -0.074 0.000 1.174 507 I CB 1.038 38.973 38.000 -0.109 0.000 1.279 507 I HN 0.150 nan 8.210 nan 0.000 0.471 508 G N 2.059 110.886 108.800 0.045 0.000 2.741 508 G HA2 -0.238 3.713 3.960 -0.016 0.000 0.222 508 G HA3 -0.238 3.713 3.960 -0.016 0.000 0.222 508 G C 0.053 175.080 174.900 0.211 0.000 1.364 508 G CA 0.332 45.491 45.100 0.098 0.000 0.866 508 G HN 0.460 nan 8.290 nan 0.000 0.555 509 E N -0.069 120.214 120.200 0.139 0.000 2.447 509 E HA 0.051 4.391 4.350 -0.016 0.000 0.195 509 E C 2.034 178.609 176.600 -0.042 0.000 1.028 509 E CA 0.271 56.712 56.400 0.068 0.000 0.876 509 E CB 0.115 29.831 29.700 0.028 0.000 0.885 509 E HN 0.573 nan 8.360 nan 0.000 0.500 510 E N 0.548 120.781 120.200 0.054 0.000 2.273 510 E HA -0.217 4.123 4.350 -0.016 0.000 0.198 510 E C 1.737 178.341 176.600 0.006 0.000 1.002 510 E CA 1.054 57.473 56.400 0.031 0.000 0.828 510 E CB -0.182 29.554 29.700 0.060 0.000 0.747 510 E HN 0.554 nan 8.360 nan 0.000 0.491 511 Y N -0.796 119.502 120.300 -0.003 0.000 2.497 511 Y HA -0.011 4.530 4.550 -0.015 0.000 0.292 511 Y C 1.883 177.758 175.900 -0.041 0.000 1.137 511 Y CA 0.418 58.509 58.100 -0.015 0.000 1.285 511 Y CB -0.632 37.820 38.460 -0.013 0.000 0.991 511 Y HN -0.086 nan 8.280 nan 0.000 0.556 512 I N 0.861 120.975 120.570 -0.760 0.000 2.315 512 I HA -0.225 3.935 4.170 -0.016 0.000 0.248 512 I C 1.896 177.768 176.117 -0.410 0.000 1.117 512 I CA 1.745 62.617 61.300 -0.714 0.000 1.404 512 I CB -0.379 37.114 38.000 -0.844 0.000 1.071 512 I HN 0.414 nan 8.210 nan 0.000 0.419 513 S N -1.920 113.641 115.700 -0.231 0.000 2.539 513 S HA 0.122 4.582 4.470 -0.016 0.000 0.221 513 S C 0.294 174.874 174.600 -0.034 0.000 0.987 513 S CA -0.350 57.792 58.200 -0.097 0.000 0.929 513 S CB 0.224 63.433 63.200 0.015 0.000 0.832 513 S HN 0.282 nan 8.310 nan 0.000 0.492 514 D N 0.696 121.083 120.400 -0.021 0.000 2.517 514 D HA 0.310 4.940 4.640 -0.016 0.000 0.263 514 D C 0.259 176.595 176.300 0.060 0.000 1.233 514 D CA -0.411 53.600 54.000 0.019 0.000 0.849 514 D CB 0.624 41.440 40.800 0.027 0.000 1.261 514 D HN 0.054 nan 8.370 nan 0.000 0.516 515 L N 1.661 122.920 121.223 0.061 0.000 2.275 515 L HA 0.029 4.359 4.340 -0.016 0.000 0.215 515 L C 1.430 178.350 176.870 0.084 0.000 1.119 515 L CA 1.343 56.251 54.840 0.113 0.000 0.790 515 L CB -0.036 42.086 42.059 0.105 0.000 0.919 515 L HN 0.271 nan 8.230 nan 0.000 0.443 516 D N -0.386 120.039 120.400 0.041 0.000 2.228 516 D HA -0.254 4.376 4.640 -0.016 0.000 0.203 516 D C 1.909 178.229 176.300 0.033 0.000 0.988 516 D CA 1.007 55.019 54.000 0.019 0.000 0.864 516 D CB -0.004 40.795 40.800 -0.002 0.000 0.928 516 D HN 0.532 nan 8.370 nan 0.000 0.469 517 Q N -0.256 119.578 119.800 0.057 0.000 2.515 517 Q HA -0.071 4.259 4.340 -0.016 0.000 0.215 517 Q C 2.152 178.172 176.000 0.032 0.000 0.983 517 Q CA 0.199 56.036 55.803 0.058 0.000 0.905 517 Q CB 0.017 28.813 28.738 0.098 0.000 0.961 517 Q HN 0.412 nan 8.270 nan 0.000 0.503 518 L N -0.124 121.114 121.223 0.026 0.000 2.275 518 L HA -0.151 4.179 4.340 -0.016 0.000 0.215 518 L C 2.224 179.096 176.870 0.003 0.000 1.119 518 L CA 0.648 55.476 54.840 -0.019 0.000 0.790 518 L CB -0.292 41.766 42.059 -0.002 0.000 0.919 518 L HN 0.214 nan 8.230 nan 0.000 0.443 519 R N 0.565 121.076 120.500 0.018 0.000 2.133 519 R HA -0.216 4.114 4.340 -0.016 0.000 0.247 519 R C 2.044 178.363 176.300 0.032 0.000 1.151 519 R CA 1.339 57.453 56.100 0.024 0.000 0.971 519 R CB -0.378 29.931 30.300 0.015 0.000 0.866 519 R HN 0.404 nan 8.270 nan 0.000 0.447 520 K N 0.713 121.130 120.400 0.029 0.000 2.360 520 K HA -0.118 4.193 4.320 -0.016 0.000 0.201 520 K C 1.852 178.520 176.600 0.113 0.000 1.046 520 K CA 0.866 57.186 56.287 0.056 0.000 0.940 520 K CB -0.132 32.395 32.500 0.045 0.000 0.748 520 K HN 0.270 nan 8.250 nan 0.000 0.465 521 L N 0.448 121.702 121.223 0.052 0.000 2.478 521 L HA -0.101 4.229 4.340 -0.016 0.000 0.223 521 L C 1.834 178.810 176.870 0.177 0.000 1.140 521 L CA -0.097 54.783 54.840 0.068 0.000 0.842 521 L CB -0.257 41.800 42.059 -0.004 0.000 0.953 521 L HN 0.097 nan 8.230 nan 0.000 0.452 522 L N 0.346 121.640 121.223 0.118 0.000 2.042 522 L HA -0.196 4.134 4.340 -0.016 0.000 0.210 522 L C 2.670 179.577 176.870 0.062 0.000 1.076 522 L CA 2.010 56.902 54.840 0.086 0.000 0.749 522 L CB -0.985 41.101 42.059 0.045 0.000 0.893 522 L HN 0.371 nan 8.230 nan 0.000 0.432 523 S N -2.546 113.168 115.700 0.023 0.000 2.727 523 S HA -0.088 4.373 4.470 -0.016 0.000 0.226 523 S C 1.054 175.435 174.600 -0.364 0.000 0.963 523 S CA 0.340 58.441 58.200 -0.165 0.000 0.950 523 S CB -0.624 62.429 63.200 -0.246 0.000 0.779 523 S HN 0.488 nan 8.310 nan 0.000 0.532 524 Y N -1.156 119.116 120.300 -0.048 0.000 2.563 524 Y HA 0.383 4.932 4.550 -0.002 0.000 0.250 524 Y C 1.882 177.851 175.900 0.114 0.000 1.126 524 Y CA -0.437 57.638 58.100 -0.043 0.000 1.231 524 Y CB 0.360 38.641 38.460 -0.299 0.000 1.288 524 Y HN 0.282 nan 8.280 nan 0.000 0.537 525 V N 0.408 120.446 119.914 0.206 0.000 2.594 525 V HA -0.210 3.901 4.120 -0.016 0.000 0.253 525 V C 1.149 177.321 176.094 0.130 0.000 1.069 525 V CA 2.377 64.783 62.300 0.178 0.000 1.082 525 V CB 0.004 31.892 31.823 0.109 0.000 0.680 525 V HN 0.333 nan 8.190 nan 0.000 0.469 526 D N -0.600 119.853 120.400 0.089 0.000 2.349 526 D HA 0.070 4.700 4.640 -0.016 0.000 0.214 526 D C 0.544 176.888 176.300 0.073 0.000 1.063 526 D CA 0.079 54.115 54.000 0.060 0.000 0.847 526 D CB 0.035 40.847 40.800 0.020 0.000 0.933 526 D HN 0.490 nan 8.370 nan 0.000 0.513 527 D N 1.518 121.990 120.400 0.120 0.000 2.358 527 D HA -0.048 4.582 4.640 -0.016 0.000 0.258 527 D C 1.125 177.525 176.300 0.168 0.000 1.223 527 D CA 0.059 54.146 54.000 0.144 0.000 0.886 527 D CB 1.647 42.580 40.800 0.222 0.000 1.120 527 D HN -0.203 nan 8.370 nan 0.000 0.482 528 E N 3.217 123.482 120.200 0.110 0.000 2.110 528 E HA -0.135 4.205 4.350 -0.016 0.000 0.193 528 E C 1.743 178.404 176.600 0.100 0.000 0.988 528 E CA 1.474 57.926 56.400 0.087 0.000 0.804 528 E CB -0.071 29.662 29.700 0.055 0.000 0.745 528 E HN 0.598 nan 8.360 nan 0.000 0.458 529 A N -0.635 122.262 122.820 0.128 0.000 1.968 529 A HA -0.089 4.222 4.320 -0.016 0.000 0.217 529 A C 2.135 179.830 177.584 0.184 0.000 1.169 529 A CA 0.963 53.077 52.037 0.128 0.000 0.638 529 A CB -0.719 18.355 19.000 0.124 0.000 0.812 529 A HN 0.432 nan 8.150 nan 0.000 0.446 530 F N 0.278 120.261 119.950 0.055 0.000 2.163 530 F HA -0.065 4.453 4.527 -0.015 0.000 0.297 530 F C 2.018 177.838 175.800 0.033 0.000 1.094 530 F CA 1.232 59.256 58.000 0.040 0.000 1.290 530 F CB -0.056 38.989 39.000 0.075 0.000 1.017 530 F HN 0.137 nan 8.300 nan 0.000 0.483 531 I N 0.596 121.192 120.570 0.043 0.000 2.118 531 I HA -0.393 3.767 4.170 -0.016 0.000 0.241 531 I C 2.622 178.684 176.117 -0.091 0.000 1.070 531 I CA 1.936 63.204 61.300 -0.053 0.000 1.327 531 I CB -0.621 37.395 38.000 0.027 0.000 1.034 531 I HN 0.142 nan 8.210 nan 0.000 0.405 532 R N 0.959 121.436 120.500 -0.038 0.000 2.091 532 R HA -0.213 4.117 4.340 -0.016 0.000 0.238 532 R C 1.839 178.097 176.300 -0.070 0.000 1.136 532 R CA 2.115 58.191 56.100 -0.039 0.000 0.959 532 R CB -0.279 30.016 30.300 -0.007 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.437 533 D N 0.040 120.385 120.400 -0.091 0.000 2.117 533 D HA -0.108 4.523 4.640 -0.016 0.000 0.198 533 D C 2.023 178.215 176.300 -0.180 0.000 0.982 533 D CA 1.382 55.320 54.000 -0.104 0.000 0.828 533 D CB -0.132 40.641 40.800 -0.045 0.000 0.967 533 D HN 0.118 nan 8.370 nan 0.000 0.464 534 V N 1.514 121.222 119.914 -0.342 0.000 2.287 534 V HA -0.256 3.855 4.120 -0.016 0.000 0.248 534 V C 2.523 178.535 176.094 -0.136 0.000 1.053 534 V CA 1.945 64.061 62.300 -0.307 0.000 1.027 534 V CB -0.823 30.741 31.823 -0.432 0.000 0.646 534 V HN 0.186 nan 8.190 nan 0.000 0.447 535 A N -0.548 122.208 122.820 -0.107 0.000 1.969 535 A HA -0.209 4.101 4.320 -0.016 0.000 0.218 535 A C 2.354 179.905 177.584 -0.054 0.000 1.169 535 A CA 1.941 53.945 52.037 -0.056 0.000 0.635 535 A CB -0.394 18.574 19.000 -0.052 0.000 0.810 535 A HN 0.545 nan 8.150 nan 0.000 0.445 536 K N -0.205 120.160 120.400 -0.058 0.000 2.031 536 K HA -0.046 4.265 4.320 -0.016 0.000 0.205 536 K C 1.833 178.414 176.600 -0.032 0.000 1.049 536 K CA 1.359 57.621 56.287 -0.041 0.000 0.939 536 K CB -0.283 32.197 32.500 -0.033 0.000 0.717 536 K HN 0.172 nan 8.250 nan 0.000 0.438 537 V N 2.186 122.078 119.914 -0.036 0.000 2.250 537 V HA -0.315 3.796 4.120 -0.016 0.000 0.250 537 V C 2.445 178.534 176.094 -0.010 0.000 1.060 537 V CA 2.284 64.571 62.300 -0.021 0.000 1.030 537 V CB -0.567 31.239 31.823 -0.028 0.000 0.643 537 V HN 0.402 nan 8.190 nan 0.000 0.445 538 K N 0.165 120.557 120.400 -0.013 0.000 2.044 538 K HA -0.264 4.046 4.320 -0.016 0.000 0.210 538 K C 2.147 178.732 176.600 -0.025 0.000 1.049 538 K CA 2.057 58.344 56.287 -0.000 0.000 0.927 538 K CB -0.564 31.949 32.500 0.022 0.000 0.713 538 K HN 0.408 nan 8.250 nan 0.000 0.443 539 Q N 0.717 120.492 119.800 -0.041 0.000 2.119 539 Q HA -0.059 4.272 4.340 -0.016 0.000 0.201 539 Q C 1.700 177.687 176.000 -0.022 0.000 0.972 539 Q CA 1.748 57.517 55.803 -0.057 0.000 0.847 539 Q CB -0.003 28.700 28.738 -0.058 0.000 0.903 539 Q HN 0.497 nan 8.270 nan 0.000 0.433 540 E N -0.337 119.861 120.200 -0.004 0.000 2.051 540 E HA -0.182 4.158 4.350 -0.016 0.000 0.192 540 E C 1.721 178.349 176.600 0.047 0.000 0.991 540 E CA 1.125 57.537 56.400 0.019 0.000 0.799 540 E CB -0.121 29.588 29.700 0.016 0.000 0.748 540 E HN 0.400 nan 8.360 nan 0.000 0.449 541 N N 1.005 119.733 118.700 0.045 0.000 2.149 541 N HA -0.157 4.573 4.740 -0.016 0.000 0.188 541 N C 1.558 177.155 175.510 0.144 0.000 1.019 541 N CA 1.145 54.243 53.050 0.081 0.000 0.857 541 N CB -0.134 38.386 38.487 0.056 0.000 0.997 541 N HN 0.147 nan 8.380 nan 0.000 0.426 542 K N 0.557 121.006 120.400 0.082 0.000 2.001 542 K HA 0.029 4.339 4.320 -0.016 0.000 0.208 542 K C 2.183 178.903 176.600 0.201 0.000 1.048 542 K CA 0.620 56.965 56.287 0.098 0.000 0.932 542 K CB -0.299 32.017 32.500 -0.308 0.000 0.715 542 K HN 0.055 nan 8.250 nan 0.000 0.437 543 L N 1.558 122.841 121.223 0.100 0.000 1.997 543 L HA -0.296 4.035 4.340 -0.016 0.000 0.216 543 L C 2.662 179.628 176.870 0.159 0.000 1.074 543 L CA 1.562 56.471 54.840 0.114 0.000 0.763 543 L CB -0.431 41.665 42.059 0.063 0.000 0.890 543 L HN 0.217 nan 8.230 nan 0.000 0.434 544 K N -0.442 120.053 120.400 0.159 0.000 2.001 544 K HA -0.278 4.032 4.320 -0.016 0.000 0.214 544 K C 2.199 178.947 176.600 0.248 0.000 1.050 544 K CA 2.193 58.584 56.287 0.174 0.000 0.934 544 K CB -0.326 32.264 32.500 0.150 0.000 0.718 544 K HN 0.107 nan 8.250 nan 0.000 0.443 545 F N 1.101 121.153 119.950 0.171 0.000 2.216 545 F HA -0.123 4.394 4.527 -0.016 0.000 0.300 545 F C 2.021 177.977 175.800 0.261 0.000 1.085 545 F CA 1.258 59.385 58.000 0.211 0.000 1.326 545 F CB -0.363 38.760 39.000 0.205 0.000 1.027 545 F HN 0.122 nan 8.300 nan 0.000 0.497 546 A N 0.198 123.199 122.820 0.302 0.000 1.940 546 A HA -0.103 4.208 4.320 -0.016 0.000 0.219 546 A C 2.364 179.995 177.584 0.078 0.000 1.176 546 A CA 1.791 53.946 52.037 0.196 0.000 0.631 546 A CB -1.458 17.712 19.000 0.283 0.000 0.814 546 A HN 0.442 nan 8.150 nan 0.000 0.446 547 A N -2.140 120.739 122.820 0.098 0.000 2.067 547 A HA 0.054 4.364 4.320 -0.016 0.000 0.217 547 A C 2.014 179.631 177.584 0.055 0.000 1.156 547 A CA 1.300 53.381 52.037 0.073 0.000 0.683 547 A CB -0.598 18.453 19.000 0.085 0.000 0.808 547 A HN 0.732 nan 8.150 nan 0.000 0.455 548 Y N 0.256 120.498 120.300 -0.097 0.000 2.220 548 Y HA -0.033 4.508 4.550 -0.016 0.000 0.291 548 Y C 1.843 177.660 175.900 -0.139 0.000 1.129 548 Y CA 1.400 59.426 58.100 -0.123 0.000 1.161 548 Y CB -0.177 38.188 38.460 -0.158 0.000 0.997 548 Y HN 0.183 nan 8.280 nan 0.000 0.522 549 L N 0.220 121.318 121.223 -0.208 0.000 2.079 549 L HA -0.243 4.087 4.340 -0.016 0.000 0.210 549 L C 2.279 179.100 176.870 -0.083 0.000 1.081 549 L CA 1.890 56.621 54.840 -0.182 0.000 0.752 549 L CB -0.440 41.498 42.059 -0.202 0.000 0.896 549 L HN 0.386 nan 8.230 nan 0.000 0.433 550 E N -0.565 119.606 120.200 -0.047 0.000 2.051 550 E HA -0.170 4.170 4.350 -0.016 0.000 0.189 550 E C 2.315 178.893 176.600 -0.036 0.000 0.979 550 E CA 0.610 57.023 56.400 0.021 0.000 0.803 550 E CB 0.008 29.764 29.700 0.093 0.000 0.761 550 E HN 0.373 nan 8.360 nan 0.000 0.451 551 R N 0.774 121.220 120.500 -0.090 0.000 2.080 551 R HA -0.167 4.163 4.340 -0.016 0.000 0.236 551 R C 2.058 178.231 176.300 -0.213 0.000 1.137 551 R CA 1.553 57.580 56.100 -0.121 0.000 0.943 551 R CB -0.029 30.204 30.300 -0.111 0.000 0.846 551 R HN 0.024 nan 8.270 nan 0.000 0.431 552 E N -1.848 118.126 120.200 -0.377 0.000 2.400 552 E HA -0.023 4.317 4.350 -0.016 0.000 0.195 552 E C -0.037 176.090 176.600 -0.788 0.000 1.012 552 E CA 0.585 56.623 56.400 -0.604 0.000 0.875 552 E CB 0.543 29.723 29.700 -0.867 0.000 0.859 552 E HN 0.320 nan 8.360 nan 0.000 0.498 553 Y N -0.582 119.591 120.300 -0.211 0.000 2.825 553 Y HA 0.246 4.786 4.550 -0.016 0.000 0.259 553 Y C -0.375 175.456 175.900 -0.115 0.000 1.113 553 Y CA -0.795 57.223 58.100 -0.137 0.000 1.241 553 Y CB 0.801 39.181 38.460 -0.135 0.000 1.331 553 Y HN -0.290 nan 8.280 nan 0.000 0.570 554 K N 1.505 121.899 120.400 -0.009 0.000 3.903 554 K HA -0.140 4.170 4.320 -0.016 0.000 0.275 554 K C -0.632 175.864 176.600 -0.174 0.000 0.825 554 K CA 0.930 57.203 56.287 -0.024 0.000 0.684 554 K CB -1.571 30.928 32.500 -0.000 0.000 1.707 554 K HN 0.280 nan 8.250 nan 0.000 0.435 555 V N -2.074 117.727 119.914 -0.189 0.000 2.686 555 V HA 0.436 4.546 4.120 -0.016 0.000 0.306 555 V C -0.237 175.740 176.094 -0.194 0.000 1.065 555 V CA -1.074 61.033 62.300 -0.322 0.000 0.894 555 V CB 1.810 33.547 31.823 -0.143 0.000 1.004 555 V HN 0.398 nan 8.190 nan 0.000 0.424 556 H N 5.513 124.574 119.070 -0.015 0.000 2.581 556 H HA 0.755 5.301 4.556 -0.016 0.000 0.308 556 H C -0.060 175.267 175.328 -0.001 0.000 1.040 556 H CA -0.515 55.528 56.048 -0.007 0.000 1.231 556 H CB 1.620 31.377 29.762 -0.007 0.000 1.396 556 H HN 0.927 nan 8.280 nan 0.000 0.467 557 I N -0.032 120.617 120.570 0.131 0.000 2.530 557 I HA 0.424 4.585 4.170 -0.016 0.000 0.297 557 I C -0.323 175.885 176.117 0.153 0.000 1.011 557 I CA -1.265 60.101 61.300 0.110 0.000 1.107 557 I CB 1.922 39.963 38.000 0.069 0.000 1.285 557 I HN 0.366 nan 8.210 nan 0.000 0.436 558 N N 6.962 125.749 118.700 0.145 0.000 2.431 558 N HA 0.282 5.012 4.740 -0.016 0.000 0.265 558 N C -1.928 173.706 175.510 0.206 0.000 1.184 558 N CA -2.104 51.029 53.050 0.139 0.000 0.943 558 N CB 0.876 39.420 38.487 0.096 0.000 1.080 558 N HN 0.435 nan 8.380 nan 0.000 0.477 559 P HA 0.088 nan 4.420 nan 0.000 0.241 559 P C -0.241 177.013 177.300 -0.076 0.000 1.191 559 P CA 0.807 63.956 63.100 0.081 0.000 0.771 559 P CB 0.265 32.004 31.700 0.065 0.000 0.929 560 N N -1.069 117.626 118.700 -0.008 0.000 2.280 560 N HA 0.006 4.737 4.740 -0.016 0.000 0.192 560 N C 0.300 175.823 175.510 0.022 0.000 1.109 560 N CA -0.080 52.958 53.050 -0.019 0.000 0.855 560 N CB -0.015 38.474 38.487 0.005 0.000 0.974 560 N HN 0.094 nan 8.380 nan 0.000 0.482 561 S N 0.086 115.808 115.700 0.037 0.000 2.593 561 S HA 0.144 4.605 4.470 -0.016 0.000 0.269 561 S C 0.187 174.748 174.600 -0.065 0.000 1.334 561 S CA -0.825 57.394 58.200 0.032 0.000 1.015 561 S CB 0.855 64.115 63.200 0.100 0.000 0.912 561 S HN 0.192 nan 8.310 nan 0.000 0.541 562 L N 2.270 123.324 121.223 -0.282 0.000 2.500 562 L HA 0.272 4.602 4.340 -0.016 0.000 0.272 562 L C -0.590 176.261 176.870 -0.030 0.000 1.149 562 L CA -0.244 54.268 54.840 -0.546 0.000 0.897 562 L CB -0.284 41.252 42.059 -0.871 0.000 1.178 562 L HN 0.690 nan 8.230 nan 0.000 0.473 563 F N 4.057 123.883 119.950 -0.207 0.000 2.464 563 F HA 0.067 4.585 4.527 -0.015 0.000 0.353 563 F C 0.563 176.298 175.800 -0.108 0.000 1.191 563 F CA -0.757 57.185 58.000 -0.096 0.000 1.147 563 F CB 0.429 39.416 39.000 -0.021 0.000 1.294 563 F HN 0.495 nan 8.300 nan 0.000 0.583 564 D N 4.734 125.139 120.400 0.009 0.000 2.359 564 D HA 0.231 4.861 4.640 -0.016 0.000 0.230 564 D C -1.089 175.148 176.300 -0.105 0.000 1.118 564 D CA -0.015 53.942 54.000 -0.072 0.000 0.844 564 D CB 1.544 42.290 40.800 -0.090 0.000 1.059 564 D HN 0.270 nan 8.370 nan 0.000 0.493 565 V N 3.468 123.298 119.914 -0.139 0.000 2.577 565 V HA 0.497 4.608 4.120 -0.016 0.000 0.303 565 V C -1.428 174.513 176.094 -0.255 0.000 1.042 565 V CA -0.662 61.540 62.300 -0.164 0.000 0.872 565 V CB 1.810 33.591 31.823 -0.069 0.000 0.998 565 V HN 0.532 nan 8.190 nan 0.000 0.423 566 Q N 4.831 124.497 119.800 -0.223 0.000 2.363 566 Q HA 0.676 5.006 4.340 -0.016 0.000 0.265 566 Q C -1.344 174.488 176.000 -0.279 0.000 1.032 566 Q CA -0.650 55.007 55.803 -0.242 0.000 0.746 566 Q CB 1.867 30.488 28.738 -0.195 0.000 1.237 566 Q HN 1.119 nan 8.270 nan 0.000 0.475 567 V N 2.510 122.252 119.914 -0.287 0.000 2.443 567 V HA 0.841 4.951 4.120 -0.016 0.000 0.293 567 V C -0.888 174.932 176.094 -0.457 0.000 1.021 567 V CA -0.581 61.379 62.300 -0.567 0.000 0.848 567 V CB 1.232 32.563 31.823 -0.820 0.000 0.998 567 V HN 0.795 nan 8.190 nan 0.000 0.424 568 K N 3.368 123.522 120.400 -0.409 0.000 2.999 568 K HA 0.322 4.632 4.320 -0.016 0.000 0.295 568 K C -0.856 175.719 176.600 -0.041 0.000 1.082 568 K CA -0.909 55.315 56.287 -0.105 0.000 0.816 568 K CB 1.423 33.873 32.500 -0.082 0.000 1.492 568 K HN 0.965 nan 8.250 nan 0.000 0.362 569 R N 1.188 121.719 120.500 0.051 0.000 2.698 569 R HA 0.124 4.454 4.340 -0.016 0.000 0.266 569 R C -0.039 176.276 176.300 0.024 0.000 1.026 569 R CA -0.320 55.828 56.100 0.081 0.000 1.102 569 R CB 0.007 30.378 30.300 0.117 0.000 0.978 569 R HN 0.433 nan 8.270 nan 0.000 0.436 570 I N 3.932 124.536 120.570 0.058 0.000 2.396 570 I HA 0.183 4.343 4.170 -0.016 0.000 0.289 570 I C 0.420 176.544 176.117 0.011 0.000 1.056 570 I CA 0.309 61.606 61.300 -0.005 0.000 1.365 570 I CB -0.130 37.865 38.000 -0.008 0.000 1.407 570 I HN 0.686 nan 8.210 nan 0.000 0.509 571 H N 5.159 124.131 119.070 -0.165 0.000 3.079 571 H HA 0.210 4.756 4.556 -0.016 0.000 0.356 571 H C 0.226 175.428 175.328 -0.210 0.000 1.221 571 H CA -0.352 55.641 56.048 -0.091 0.000 1.185 571 H CB 1.837 31.588 29.762 -0.018 0.000 1.882 571 H HN 0.594 nan 8.280 nan 0.000 0.543 572 E N 1.877 121.967 120.200 -0.184 0.000 2.153 572 E HA -0.216 4.124 4.350 -0.016 0.000 0.194 572 E C 1.352 177.716 176.600 -0.393 0.000 0.988 572 E CA 1.672 57.990 56.400 -0.136 0.000 0.811 572 E CB -0.052 29.709 29.700 0.100 0.000 0.746 572 E HN 0.564 nan 8.360 nan 0.000 0.466 573 Y N 0.855 120.781 120.300 -0.624 0.000 2.352 573 Y HA -0.012 4.528 4.550 -0.016 0.000 0.292 573 Y C 1.573 177.251 175.900 -0.371 0.000 1.136 573 Y CA 0.850 58.364 58.100 -0.976 0.000 1.227 573 Y CB -0.094 37.820 38.460 -0.910 0.000 0.991 573 Y HN -0.218 nan 8.280 nan 0.000 0.545 574 K N 0.650 120.592 120.400 -0.765 0.000 2.366 574 K HA 0.045 4.355 4.320 -0.016 0.000 0.198 574 K C 0.179 176.601 176.600 -0.297 0.000 1.044 574 K CA 0.644 56.581 56.287 -0.584 0.000 0.973 574 K CB -0.041 32.101 32.500 -0.597 0.000 0.767 574 K HN 0.250 nan 8.250 nan 0.000 0.475 575 R N 0.281 120.640 120.500 -0.234 0.000 3.336 575 R HA -0.233 4.097 4.340 -0.016 0.000 0.260 575 R C 0.318 176.537 176.300 -0.135 0.000 1.032 575 R CA 0.214 56.227 56.100 -0.145 0.000 0.693 575 R CB -1.954 28.282 30.300 -0.107 0.000 1.134 575 R HN 0.294 nan 8.270 nan 0.000 0.433 576 Q N 0.384 120.101 119.800 -0.138 0.000 2.197 576 Q HA -0.119 4.212 4.340 -0.016 0.000 0.207 576 Q C 2.022 177.974 176.000 -0.081 0.000 0.984 576 Q CA 1.757 57.495 55.803 -0.109 0.000 0.869 576 Q CB -0.050 28.628 28.738 -0.100 0.000 0.906 576 Q HN 0.594 nan 8.270 nan 0.000 0.426 577 L N -0.639 120.538 121.223 -0.076 0.000 2.131 577 L HA -0.192 4.138 4.340 -0.016 0.000 0.210 577 L C 2.021 178.896 176.870 0.008 0.000 1.092 577 L CA 0.542 55.354 54.840 -0.047 0.000 0.759 577 L CB -0.312 41.726 42.059 -0.036 0.000 0.903 577 L HN 0.304 nan 8.230 nan 0.000 0.435 578 L N -0.154 121.067 121.223 -0.003 0.000 2.056 578 L HA -0.215 4.115 4.340 -0.016 0.000 0.207 578 L C 2.038 178.976 176.870 0.113 0.000 1.078 578 L CA 1.822 56.683 54.840 0.034 0.000 0.749 578 L CB -0.785 41.201 42.059 -0.123 0.000 0.901 578 L HN 0.280 nan 8.230 nan 0.000 0.433 579 N N -1.518 117.206 118.700 0.041 0.000 2.069 579 N HA -0.252 4.478 4.740 -0.016 0.000 0.191 579 N C 1.969 177.565 175.510 0.144 0.000 1.031 579 N CA 1.758 54.902 53.050 0.158 0.000 0.852 579 N CB -0.163 38.345 38.487 0.035 0.000 1.018 579 N HN 0.491 nan 8.380 nan 0.000 0.423 580 C N 0.730 120.049 119.300 0.033 0.000 2.401 580 C HA -0.125 4.325 4.460 -0.016 0.000 0.276 580 C C 2.604 177.594 174.990 -0.001 0.000 1.233 580 C CA 0.510 59.504 59.018 -0.041 0.000 1.753 580 C CB -1.323 26.343 27.740 -0.124 0.000 2.029 580 C HN 0.511 nan 8.230 nan 0.000 0.478 581 L N -0.535 120.749 121.223 0.103 0.000 2.131 581 L HA -0.181 4.149 4.340 -0.016 0.000 0.210 581 L C 2.732 179.763 176.870 0.267 0.000 1.092 581 L CA 1.641 56.588 54.840 0.178 0.000 0.759 581 L CB -1.027 41.197 42.059 0.275 0.000 0.903 581 L HN 0.604 nan 8.230 nan 0.000 0.435 582 H N 0.097 119.275 119.070 0.180 0.000 2.333 582 H HA -0.109 4.437 4.556 -0.016 0.000 0.302 582 H C 2.236 177.559 175.328 -0.007 0.000 1.075 582 H CA 1.720 57.793 56.048 0.042 0.000 1.348 582 H CB 0.353 30.058 29.762 -0.096 0.000 1.393 582 H HN 0.085 nan 8.280 nan 0.000 0.509 583 V N 1.633 121.494 119.914 -0.088 0.000 2.380 583 V HA -0.277 3.833 4.120 -0.016 0.000 0.251 583 V C 2.751 178.793 176.094 -0.087 0.000 1.063 583 V CA 1.870 64.089 62.300 -0.136 0.000 1.055 583 V CB -0.494 31.284 31.823 -0.076 0.000 0.657 583 V HN 0.402 nan 8.190 nan 0.000 0.455 584 I N -0.496 120.049 120.570 -0.042 0.000 2.500 584 I HA -0.146 4.014 4.170 -0.016 0.000 0.252 584 I C 2.458 178.633 176.117 0.097 0.000 1.142 584 I CA 1.313 62.652 61.300 0.066 0.000 1.451 584 I CB -0.596 37.414 38.000 0.017 0.000 1.093 584 I HN 0.305 nan 8.210 nan 0.000 0.430 585 T N 1.450 116.010 114.554 0.010 0.000 2.674 585 T HA -0.150 4.190 4.350 -0.016 0.000 0.265 585 T C 1.913 176.558 174.700 -0.091 0.000 1.039 585 T CA 1.212 63.304 62.100 -0.012 0.000 1.150 585 T CB -0.294 68.585 68.868 0.019 0.000 0.864 585 T HN 0.068 nan 8.240 nan 0.000 0.427 586 L N 0.247 121.337 121.223 -0.221 0.000 2.043 586 L HA -0.080 4.251 4.340 -0.016 0.000 0.212 586 L C 2.129 178.959 176.870 -0.066 0.000 1.075 586 L CA 1.635 56.353 54.840 -0.204 0.000 0.752 586 L CB -1.053 40.819 42.059 -0.311 0.000 0.891 586 L HN 0.382 nan 8.230 nan 0.000 0.432 587 Y N 0.204 120.443 120.300 -0.102 0.000 2.145 587 Y HA -0.264 4.276 4.550 -0.016 0.000 0.286 587 Y C 2.437 178.326 175.900 -0.018 0.000 1.145 587 Y CA 1.840 59.923 58.100 -0.028 0.000 1.148 587 Y CB -0.172 38.316 38.460 0.046 0.000 0.981 587 Y HN 0.273 nan 8.280 nan 0.000 0.507 588 N N 0.600 119.264 118.700 -0.059 0.000 2.149 588 N HA -0.162 4.568 4.740 -0.016 0.000 0.188 588 N C 1.814 177.217 175.510 -0.178 0.000 1.019 588 N CA 1.620 54.572 53.050 -0.163 0.000 0.857 588 N CB -0.382 38.074 38.487 -0.053 0.000 0.997 588 N HN 0.472 nan 8.380 nan 0.000 0.426 589 R N 0.434 120.854 120.500 -0.134 0.000 2.075 589 R HA 0.072 4.402 4.340 -0.016 0.000 0.232 589 R C 2.255 178.471 176.300 -0.140 0.000 1.126 589 R CA 0.742 56.770 56.100 -0.121 0.000 0.963 589 R CB -0.278 29.959 30.300 -0.104 0.000 0.858 589 R HN 0.237 nan 8.270 nan 0.000 0.435 590 I N 1.004 121.472 120.570 -0.171 0.000 2.226 590 I HA -0.273 3.887 4.170 -0.016 0.000 0.245 590 I C 2.176 178.177 176.117 -0.193 0.000 1.100 590 I CA 1.237 62.437 61.300 -0.168 0.000 1.374 590 I CB -0.158 37.749 38.000 -0.154 0.000 1.057 590 I HN 0.048 nan 8.210 nan 0.000 0.413 591 K N 0.904 121.125 120.400 -0.298 0.000 2.097 591 K HA -0.200 4.110 4.320 -0.016 0.000 0.205 591 K C 2.030 178.538 176.600 -0.154 0.000 1.050 591 K CA 1.182 57.313 56.287 -0.259 0.000 0.938 591 K CB -0.327 31.949 32.500 -0.375 0.000 0.718 591 K HN 0.331 nan 8.250 nan 0.000 0.442 592 K N 1.404 121.719 120.400 -0.142 0.000 2.025 592 K HA -0.115 4.195 4.320 -0.016 0.000 0.207 592 K C 0.103 176.659 176.600 -0.073 0.000 1.049 592 K CA 1.296 57.526 56.287 -0.096 0.000 0.933 592 K CB 0.236 32.682 32.500 -0.089 0.000 0.714 592 K HN 0.037 nan 8.250 nan 0.000 0.438 593 E N 0.435 120.590 120.200 -0.074 0.000 3.037 593 E HA 0.130 4.471 4.350 -0.016 0.000 0.220 593 E C -2.300 174.269 176.600 -0.052 0.000 1.142 593 E CA -1.761 54.608 56.400 -0.052 0.000 0.888 593 E CB 1.788 31.462 29.700 -0.042 0.000 1.329 593 E HN 0.233 nan 8.360 nan 0.000 0.409 594 P HA -0.075 nan 4.420 nan 0.000 0.221 594 P C 0.236 177.524 177.300 -0.021 0.000 1.150 594 P CA 0.991 64.063 63.100 -0.046 0.000 0.800 594 P CB 0.231 31.907 31.700 -0.041 0.000 0.787 595 N N -1.049 117.646 118.700 -0.008 0.000 2.268 595 N HA 0.023 4.753 4.740 -0.016 0.000 0.204 595 N C 0.549 176.078 175.510 0.032 0.000 1.124 595 N CA -0.114 52.944 53.050 0.013 0.000 0.838 595 N CB 0.159 38.652 38.487 0.010 0.000 0.994 595 N HN -0.027 nan 8.380 nan 0.000 0.489 596 K N 1.228 121.642 120.400 0.023 0.000 2.156 596 K HA 0.158 4.468 4.320 -0.016 0.000 0.271 596 K C -0.996 175.648 176.600 0.074 0.000 0.995 596 K CA -0.606 55.709 56.287 0.048 0.000 0.890 596 K CB 0.745 33.254 32.500 0.014 0.000 1.073 596 K HN -0.072 nan 8.250 nan 0.000 0.454 597 F N 4.680 124.618 119.950 -0.021 0.000 2.495 597 F HA 0.182 4.699 4.527 -0.016 0.000 0.365 597 F C -0.382 175.405 175.800 -0.022 0.000 1.090 597 F CA -0.162 57.827 58.000 -0.019 0.000 1.235 597 F CB 0.556 39.548 39.000 -0.014 0.000 1.119 597 F HN 0.164 nan 8.300 nan 0.000 0.562 598 V N 4.511 123.903 119.914 -0.870 0.000 2.709 598 V HA 0.480 4.590 4.120 -0.016 0.000 0.308 598 V C -0.538 174.951 176.094 -1.009 0.000 1.062 598 V CA -1.260 60.593 62.300 -0.746 0.000 0.901 598 V CB 0.880 32.488 31.823 -0.357 0.000 1.003 598 V HN 0.578 nan 8.190 nan 0.000 0.425 599 V N 5.974 125.493 119.914 -0.659 0.000 2.486 599 V HA 0.087 4.198 4.120 -0.016 0.000 0.290 599 V C -1.651 174.279 176.094 -0.274 0.000 0.991 599 V CA 0.002 62.093 62.300 -0.348 0.000 1.142 599 V CB -0.127 31.617 31.823 -0.133 0.000 0.926 599 V HN 0.887 nan 8.190 nan 0.000 0.472 600 P HA 0.307 nan 4.420 nan 0.000 0.269 600 P C -0.281 176.946 177.300 -0.122 0.000 1.215 600 P CA -0.071 62.953 63.100 -0.127 0.000 0.780 600 P CB 0.556 32.230 31.700 -0.044 0.000 0.898 601 R N 0.362 120.809 120.500 -0.088 0.000 2.651 601 R HA 0.467 4.798 4.340 -0.016 0.000 0.278 601 R C -0.978 175.309 176.300 -0.021 0.000 1.010 601 R CA -0.595 55.458 56.100 -0.079 0.000 0.896 601 R CB 2.032 32.266 30.300 -0.109 0.000 1.211 601 R HN 0.326 nan 8.270 nan 0.000 0.456 602 T N 2.104 116.672 114.554 0.023 0.000 2.770 602 T HA 0.243 4.583 4.350 -0.016 0.000 0.297 602 T C -0.117 174.525 174.700 -0.095 0.000 0.997 602 T CA -0.505 61.571 62.100 -0.041 0.000 0.949 602 T CB 1.210 70.013 68.868 -0.108 0.000 0.941 602 T HN 0.131 nan 8.240 nan 0.000 0.457 603 V N 5.881 125.740 119.914 -0.091 0.000 2.368 603 V HA 0.374 4.484 4.120 -0.016 0.000 0.266 603 V C 0.106 176.130 176.094 -0.117 0.000 1.045 603 V CA -0.376 61.868 62.300 -0.093 0.000 0.899 603 V CB 0.403 32.188 31.823 -0.062 0.000 1.006 603 V HN 0.863 nan 8.190 nan 0.000 0.470 604 M N 6.639 126.151 119.600 -0.146 0.000 2.294 604 M HA 0.633 5.103 4.480 -0.016 0.000 0.335 604 M C -0.993 175.190 176.300 -0.195 0.000 1.079 604 M CA -0.222 54.976 55.300 -0.170 0.000 0.982 604 M CB 2.028 34.516 32.600 -0.186 0.000 1.651 604 M HN 0.416 nan 8.290 nan 0.000 0.437 605 I N 1.672 122.096 120.570 -0.243 0.000 2.533 605 I HA 0.818 4.978 4.170 -0.016 0.000 0.290 605 I C -0.032 175.687 176.117 -0.664 0.000 1.056 605 I CA -0.598 60.516 61.300 -0.311 0.000 1.057 605 I CB 2.407 40.325 38.000 -0.138 0.000 1.240 605 I HN 0.803 nan 8.210 nan 0.000 0.423 606 G N 2.917 111.316 108.800 -0.668 0.000 2.696 606 G HA2 0.828 4.778 3.960 -0.016 0.000 0.295 606 G HA3 0.828 4.778 3.960 -0.016 0.000 0.295 606 G C -1.060 173.529 174.900 -0.519 0.000 1.398 606 G CA -0.768 43.827 45.100 -0.841 0.000 0.920 606 G HN 0.994 nan 8.290 nan 0.000 0.492 607 G N -0.167 108.506 108.800 -0.211 0.000 2.352 607 G HA2 0.416 4.366 3.960 -0.016 0.000 0.303 607 G HA3 0.416 4.366 3.960 -0.016 0.000 0.303 607 G C -1.298 173.743 174.900 0.235 0.000 1.593 607 G CA -1.045 44.086 45.100 0.051 0.000 0.963 607 G HN 0.602 nan 8.290 nan 0.000 0.685 608 K N 0.086 120.621 120.400 0.226 0.000 2.110 608 K HA 0.751 5.062 4.320 -0.016 0.000 0.263 608 K C 0.351 177.107 176.600 0.259 0.000 0.975 608 K CA -0.233 56.212 56.287 0.263 0.000 0.895 608 K CB 2.079 34.661 32.500 0.136 0.000 1.060 608 K HN 0.847 nan 8.250 nan 0.000 0.448 609 A N 1.452 124.449 122.820 0.296 0.000 2.303 609 A HA 0.643 4.953 4.320 -0.016 0.000 0.317 609 A C -0.451 177.324 177.584 0.318 0.000 1.149 609 A CA -0.696 51.469 52.037 0.215 0.000 0.822 609 A CB 0.940 19.992 19.000 0.086 0.000 1.131 609 A HN 0.773 nan 8.150 nan 0.000 0.493 610 A N 3.091 126.099 122.820 0.313 0.000 2.488 610 A HA 0.512 4.822 4.320 -0.016 0.000 0.249 610 A C -1.399 176.294 177.584 0.181 0.000 1.083 610 A CA -1.037 51.180 52.037 0.299 0.000 0.768 610 A CB -0.345 18.844 19.000 0.315 0.000 1.017 610 A HN 0.593 nan 8.150 nan 0.000 0.496 611 P HA -0.172 nan 4.420 nan 0.000 0.216 611 P C 1.288 178.599 177.300 0.018 0.000 1.154 611 P CA 2.131 65.182 63.100 -0.081 0.000 0.865 611 P CB 0.198 31.797 31.700 -0.169 0.000 0.789 612 G N -3.036 105.808 108.800 0.073 0.000 3.284 612 G HA2 -0.058 3.893 3.960 -0.016 0.000 0.236 612 G HA3 -0.058 3.893 3.960 -0.016 0.000 0.236 612 G C -0.307 174.706 174.900 0.188 0.000 1.158 612 G CA -0.136 45.021 45.100 0.095 0.000 0.774 612 G HN 0.315 nan 8.290 nan 0.000 0.545 613 Y N 1.512 121.847 120.300 0.058 0.000 2.751 613 Y HA 0.202 4.743 4.550 -0.016 0.000 0.333 613 Y C 1.589 177.534 175.900 0.075 0.000 1.122 613 Y CA -1.099 57.039 58.100 0.063 0.000 1.367 613 Y CB 0.099 38.587 38.460 0.047 0.000 1.242 613 Y HN 0.322 nan 8.280 nan 0.000 0.505 614 H N 3.871 123.098 119.070 0.263 0.000 2.289 614 H HA -0.244 4.302 4.556 -0.016 0.000 0.296 614 H C 1.823 177.191 175.328 0.067 0.000 1.091 614 H CA 2.471 58.598 56.048 0.132 0.000 1.274 614 H CB 0.344 30.173 29.762 0.111 0.000 1.364 614 H HN 0.716 nan 8.280 nan 0.000 0.490 615 M N 1.028 120.623 119.600 -0.008 0.000 2.082 615 M HA -0.139 4.331 4.480 -0.016 0.000 0.258 615 M C 2.595 178.671 176.300 -0.373 0.000 1.069 615 M CA 1.999 57.203 55.300 -0.159 0.000 1.102 615 M CB -0.821 31.793 32.600 0.022 0.000 1.336 615 M HN 0.365 nan 8.290 nan 0.000 0.404 616 A N -0.632 121.753 122.820 -0.725 0.000 1.933 616 A HA -0.199 4.111 4.320 -0.016 0.000 0.218 616 A C 2.183 179.592 177.584 -0.291 0.000 1.175 616 A CA 1.904 53.566 52.037 -0.626 0.000 0.628 616 A CB -0.657 17.828 19.000 -0.858 0.000 0.814 616 A HN 0.601 nan 8.150 nan 0.000 0.444 617 K N -1.111 119.165 120.400 -0.207 0.000 2.148 617 K HA -0.027 4.284 4.320 -0.016 0.000 0.204 617 K C 1.925 178.493 176.600 -0.053 0.000 1.050 617 K CA 1.176 57.423 56.287 -0.065 0.000 0.942 617 K CB -0.198 32.318 32.500 0.027 0.000 0.724 617 K HN 0.354 nan 8.250 nan 0.000 0.446 618 M N 0.542 120.064 119.600 -0.129 0.000 2.175 618 M HA -0.075 4.396 4.480 -0.016 0.000 0.264 618 M C 2.154 178.398 176.300 -0.094 0.000 1.063 618 M CA 1.401 56.661 55.300 -0.066 0.000 1.119 618 M CB -0.621 31.926 32.600 -0.089 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N 0.021 120.499 120.570 -0.153 0.000 2.179 619 I HA -0.319 3.841 4.170 -0.016 0.000 0.242 619 I C 2.341 178.335 176.117 -0.205 0.000 1.088 619 I CA 1.159 62.354 61.300 -0.174 0.000 1.357 619 I CB -0.344 37.553 38.000 -0.171 0.000 1.051 619 I HN 0.175 nan 8.210 nan 0.000 0.409 620 I N 0.703 121.140 120.570 -0.222 0.000 2.151 620 I HA -0.348 3.813 4.170 -0.016 0.000 0.243 620 I C 2.625 178.474 176.117 -0.447 0.000 1.080 620 I CA 1.450 62.530 61.300 -0.366 0.000 1.339 620 I CB -0.327 37.434 38.000 -0.399 0.000 1.039 620 I HN 0.176 nan 8.210 nan 0.000 0.409 621 K N 1.385 121.532 120.400 -0.422 0.000 2.057 621 K HA -0.159 4.152 4.320 -0.016 0.000 0.207 621 K C 2.049 178.487 176.600 -0.269 0.000 1.049 621 K CA 1.469 57.441 56.287 -0.526 0.000 0.931 621 K CB -0.570 31.362 32.500 -0.946 0.000 0.714 621 K HN 0.233 nan 8.250 nan 0.000 0.440 622 L N 0.395 121.467 121.223 -0.252 0.000 2.042 622 L HA -0.195 4.135 4.340 -0.016 0.000 0.210 622 L C 2.171 178.792 176.870 -0.414 0.000 1.076 622 L CA 1.774 56.277 54.840 -0.562 0.000 0.749 622 L CB -0.280 41.383 42.059 -0.659 0.000 0.893 622 L HN 0.284 nan 8.230 nan 0.000 0.432 623 I N -0.346 120.047 120.570 -0.296 0.000 2.202 623 I HA -0.307 3.853 4.170 -0.016 0.000 0.242 623 I C 2.622 178.641 176.117 -0.164 0.000 1.091 623 I CA 1.831 63.015 61.300 -0.194 0.000 1.368 623 I CB -0.513 37.461 38.000 -0.043 0.000 1.058 623 I HN 0.400 nan 8.210 nan 0.000 0.410 624 T N -0.839 113.591 114.554 -0.207 0.000 2.867 624 T HA -0.064 4.276 4.350 -0.016 0.000 0.268 624 T C 1.955 176.586 174.700 -0.115 0.000 1.057 624 T CA 0.926 62.933 62.100 -0.156 0.000 1.136 624 T CB -0.444 68.287 68.868 -0.230 0.000 0.874 624 T HN 0.328 nan 8.240 nan 0.000 0.466 625 A N 1.434 124.178 122.820 -0.127 0.000 1.930 625 A HA 0.171 4.481 4.320 -0.016 0.000 0.217 625 A C 2.331 179.912 177.584 -0.005 0.000 1.175 625 A CA 1.163 53.187 52.037 -0.022 0.000 0.627 625 A CB -0.780 18.290 19.000 0.117 0.000 0.815 625 A HN 0.582 nan 8.150 nan 0.000 0.443 626 I N -0.221 120.254 120.570 -0.158 0.000 2.286 626 I HA -0.179 3.982 4.170 -0.016 0.000 0.248 626 I C 2.649 178.724 176.117 -0.071 0.000 1.115 626 I CA 1.060 62.253 61.300 -0.178 0.000 1.392 626 I CB -0.458 37.320 38.000 -0.369 0.000 1.065 626 I HN 0.380 nan 8.210 nan 0.000 0.418 627 G N 0.354 109.117 108.800 -0.060 0.000 2.418 627 G HA2 -0.243 3.708 3.960 -0.016 0.000 0.217 627 G HA3 -0.243 3.708 3.960 -0.016 0.000 0.217 627 G C 1.289 176.214 174.900 0.042 0.000 1.158 627 G CA 0.880 45.968 45.100 -0.020 0.000 0.771 627 G HN 0.263 nan 8.290 nan 0.000 0.545 628 D N 0.224 120.652 120.400 0.048 0.000 2.104 628 D HA -0.106 4.525 4.640 -0.016 0.000 0.194 628 D C 2.771 179.132 176.300 0.102 0.000 0.994 628 D CA 0.921 54.971 54.000 0.084 0.000 0.830 628 D CB -0.477 40.322 40.800 -0.001 0.000 0.959 628 D HN 0.203 nan 8.370 nan 0.000 0.452 629 V N 0.413 120.350 119.914 0.038 0.000 2.307 629 V HA -0.163 3.948 4.120 -0.016 0.000 0.245 629 V C 2.567 178.643 176.094 -0.030 0.000 1.045 629 V CA 0.977 63.261 62.300 -0.027 0.000 1.024 629 V CB -0.236 31.535 31.823 -0.087 0.000 0.651 629 V HN 0.050 nan 8.190 nan 0.000 0.449 630 V N 0.578 120.445 119.914 -0.079 0.000 2.407 630 V HA -0.112 3.998 4.120 -0.016 0.000 0.245 630 V C 2.082 178.187 176.094 0.019 0.000 1.041 630 V CA 1.613 63.867 62.300 -0.077 0.000 1.040 630 V CB -0.728 31.018 31.823 -0.128 0.000 0.671 630 V HN 0.568 nan 8.190 nan 0.000 0.455 631 N N -0.096 118.602 118.700 -0.003 0.000 2.512 631 N HA -0.087 4.643 4.740 -0.016 0.000 0.183 631 N C 1.056 176.407 175.510 -0.265 0.000 1.073 631 N CA 0.880 53.861 53.050 -0.115 0.000 0.911 631 N CB -0.215 38.175 38.487 -0.161 0.000 0.964 631 N HN 0.631 nan 8.380 nan 0.000 0.447 632 H N -1.044 118.034 119.070 0.012 0.000 2.581 632 H HA 0.216 4.762 4.556 -0.016 0.000 0.275 632 H C -0.638 174.710 175.328 0.034 0.000 1.126 632 H CA -0.439 55.619 56.048 0.016 0.000 1.097 632 H CB 0.484 30.245 29.762 -0.002 0.000 1.626 632 H HN -0.019 nan 8.280 nan 0.000 0.565 633 D N 1.131 121.610 120.400 0.131 0.000 2.359 633 D HA 0.083 4.713 4.640 -0.016 0.000 0.230 633 D C -1.713 174.645 176.300 0.097 0.000 1.118 633 D CA -2.182 51.904 54.000 0.144 0.000 0.844 633 D CB 1.848 42.804 40.800 0.260 0.000 1.059 633 D HN 0.081 nan 8.370 nan 0.000 0.493 634 P HA -0.122 nan 4.420 nan 0.000 0.217 634 P C 1.519 178.843 177.300 0.040 0.000 1.150 634 P CA 0.490 63.619 63.100 0.049 0.000 0.832 634 P CB 0.396 32.121 31.700 0.042 0.000 0.787 635 V N -0.878 119.061 119.914 0.042 0.000 2.626 635 V HA -0.155 3.956 4.120 -0.016 0.000 0.252 635 V C 2.378 178.482 176.094 0.017 0.000 1.067 635 V CA 1.442 63.754 62.300 0.020 0.000 1.081 635 V CB -1.113 30.713 31.823 0.004 0.000 0.686 635 V HN -0.007 nan 8.190 nan 0.000 0.468 636 V N -0.123 119.818 119.914 0.046 0.000 2.346 636 V HA 0.202 4.312 4.120 -0.016 0.000 0.244 636 V C 1.833 177.945 176.094 0.030 0.000 1.037 636 V CA 1.516 63.846 62.300 0.048 0.000 1.029 636 V CB -1.085 30.815 31.823 0.129 0.000 0.663 636 V HN 0.721 nan 8.190 nan 0.000 0.454 637 G N 1.720 110.539 108.800 0.032 0.000 2.550 637 G HA2 -0.352 3.598 3.960 -0.016 0.000 0.277 637 G HA3 -0.352 3.598 3.960 -0.016 0.000 0.277 637 G C 0.170 175.080 174.900 0.016 0.000 1.190 637 G CA 0.419 45.532 45.100 0.021 0.000 0.971 637 G HN 0.702 nan 8.290 nan 0.000 0.559 638 D N 0.363 120.774 120.400 0.017 0.000 2.587 638 D HA 0.251 4.881 4.640 -0.016 0.000 0.233 638 D C 1.677 177.984 176.300 0.012 0.000 1.213 638 D CA -0.024 53.987 54.000 0.019 0.000 0.827 638 D CB -0.017 40.802 40.800 0.031 0.000 1.006 638 D HN 0.603 nan 8.370 nan 0.000 0.490 639 R N -0.759 119.740 120.500 -0.002 0.000 2.189 639 R HA 0.255 4.585 4.340 -0.016 0.000 0.203 639 R C -0.083 176.194 176.300 -0.038 0.000 1.012 639 R CA 0.072 56.153 56.100 -0.033 0.000 1.015 639 R CB 0.467 30.733 30.300 -0.056 0.000 0.938 639 R HN 0.111 nan 8.270 nan 0.000 0.472 640 L N 1.020 122.236 121.223 -0.010 0.000 2.476 640 L HA 0.383 4.713 4.340 -0.016 0.000 0.269 640 L C -1.428 175.439 176.870 -0.005 0.000 0.965 640 L CA -0.484 54.350 54.840 -0.010 0.000 0.845 640 L CB 1.740 43.806 42.059 0.011 0.000 1.259 640 L HN -0.171 nan 8.230 nan 0.000 0.403 641 R N 3.846 124.333 120.500 -0.022 0.000 2.599 641 R HA 0.733 5.063 4.340 -0.016 0.000 0.295 641 R C -1.536 174.734 176.300 -0.050 0.000 0.963 641 R CA -0.809 55.270 56.100 -0.035 0.000 0.883 641 R CB 2.350 32.630 30.300 -0.035 0.000 1.171 641 R HN 0.395 nan 8.270 nan 0.000 0.450 642 V N 5.011 124.894 119.914 -0.051 0.000 2.350 642 V HA 0.406 4.516 4.120 -0.016 0.000 0.285 642 V C -0.272 175.796 176.094 -0.043 0.000 1.014 642 V CA -0.690 61.577 62.300 -0.054 0.000 0.831 642 V CB 1.383 33.170 31.823 -0.060 0.000 1.000 642 V HN 0.520 nan 8.190 nan 0.000 0.433 643 I N 4.988 125.526 120.570 -0.054 0.000 2.406 643 I HA 0.429 4.590 4.170 -0.016 0.000 0.290 643 I C -0.504 175.601 176.117 -0.022 0.000 0.999 643 I CA -0.378 60.897 61.300 -0.041 0.000 1.124 643 I CB 1.668 39.620 38.000 -0.080 0.000 1.289 643 I HN 0.522 nan 8.210 nan 0.000 0.441 644 F N 7.213 127.103 119.950 -0.099 0.000 2.411 644 F HA 0.445 4.963 4.527 -0.016 0.000 0.355 644 F C -0.559 175.180 175.800 -0.102 0.000 1.117 644 F CA -0.554 57.388 58.000 -0.097 0.000 1.139 644 F CB 0.606 39.552 39.000 -0.090 0.000 1.120 644 F HN 0.142 nan 8.300 nan 0.000 0.493 645 L N 6.063 126.890 121.223 -0.660 0.000 2.278 645 L HA 0.204 4.534 4.340 -0.016 0.000 0.287 645 L C 0.138 176.798 176.870 -0.350 0.000 1.072 645 L CA -0.114 54.481 54.840 -0.408 0.000 0.819 645 L CB 0.570 42.455 42.059 -0.289 0.000 1.176 645 L HN 0.610 nan 8.230 nan 0.000 0.435 646 E N 3.724 123.849 120.200 -0.126 0.000 2.289 646 E HA 0.056 4.396 4.350 -0.016 0.000 0.278 646 E C 0.197 176.870 176.600 0.121 0.000 1.032 646 E CA -0.290 56.169 56.400 0.097 0.000 0.854 646 E CB 0.342 30.083 29.700 0.069 0.000 1.046 646 E HN 0.552 nan 8.360 nan 0.000 0.409 647 N N 3.095 121.918 118.700 0.206 0.000 2.746 647 N HA -0.270 4.461 4.740 -0.016 0.000 0.250 647 N C -1.622 173.983 175.510 0.159 0.000 1.055 647 N CA 0.473 53.631 53.050 0.181 0.000 0.699 647 N CB -1.636 36.962 38.487 0.186 0.000 0.919 647 N HN 0.530 nan 8.380 nan 0.000 0.548 648 Y N 1.716 122.030 120.300 0.023 0.000 2.620 648 Y HA 0.240 4.780 4.550 -0.016 0.000 0.330 648 Y C 1.130 177.053 175.900 0.038 0.000 1.186 648 Y CA 0.704 58.805 58.100 0.001 0.000 1.467 648 Y CB 0.376 38.811 38.460 -0.042 0.000 1.262 648 Y HN 0.411 nan 8.280 nan 0.000 0.550 649 R N 2.310 122.486 120.500 -0.539 0.000 2.756 649 R HA 0.418 4.749 4.340 -0.016 0.000 0.273 649 R C -0.458 175.486 176.300 -0.593 0.000 1.030 649 R CA -0.573 55.271 56.100 -0.426 0.000 0.887 649 R CB 0.298 30.515 30.300 -0.138 0.000 1.274 649 R HN 0.365 nan 8.270 nan 0.000 0.461 650 V N 1.003 120.561 119.914 -0.593 0.000 2.282 650 V HA -0.288 3.822 4.120 -0.016 0.000 0.249 650 V C 2.549 178.487 176.094 -0.259 0.000 1.057 650 V CA 2.825 64.855 62.300 -0.450 0.000 1.032 650 V CB -0.795 30.720 31.823 -0.514 0.000 0.645 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N -0.197 115.369 115.700 -0.224 0.000 2.406 651 S HA -0.114 4.347 4.470 -0.016 0.000 0.228 651 S C 1.912 176.449 174.600 -0.105 0.000 1.020 651 S CA 1.318 59.425 58.200 -0.155 0.000 0.965 651 S CB -0.423 62.711 63.200 -0.110 0.000 0.798 651 S HN 0.377 nan 8.310 nan 0.000 0.488 652 L N 2.111 123.284 121.223 -0.084 0.000 2.093 652 L HA 0.273 4.603 4.340 -0.016 0.000 0.208 652 L C 2.709 179.592 176.870 0.022 0.000 1.085 652 L CA 1.460 56.302 54.840 0.005 0.000 0.755 652 L CB -1.289 40.828 42.059 0.096 0.000 0.904 652 L HN 0.364 nan 8.230 nan 0.000 0.435 653 A N -0.776 122.019 122.820 -0.041 0.000 1.940 653 A HA -0.262 4.049 4.320 -0.016 0.000 0.219 653 A C 2.165 179.811 177.584 0.104 0.000 1.176 653 A CA 1.953 54.045 52.037 0.092 0.000 0.631 653 A CB -0.643 18.395 19.000 0.063 0.000 0.814 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.687 119.540 120.200 0.046 0.000 2.268 654 E HA -0.146 4.194 4.350 -0.016 0.000 0.195 654 E C 1.861 178.426 176.600 -0.058 0.000 0.995 654 E CA 1.119 57.501 56.400 -0.030 0.000 0.836 654 E CB -0.031 29.558 29.700 -0.184 0.000 0.763 654 E HN 0.617 nan 8.360 nan 0.000 0.491 655 K N -0.224 120.133 120.400 -0.072 0.000 2.244 655 K HA 0.040 4.350 4.320 -0.016 0.000 0.200 655 K C 2.009 178.459 176.600 -0.250 0.000 1.052 655 K CA 0.259 56.502 56.287 -0.074 0.000 0.980 655 K CB 0.350 32.829 32.500 -0.036 0.000 0.838 655 K HN -0.047 nan 8.250 nan 0.000 0.481 656 V N 1.383 121.079 119.914 -0.363 0.000 2.599 656 V HA -0.070 4.041 4.120 -0.016 0.000 0.245 656 V C 1.805 177.674 176.094 -0.375 0.000 1.046 656 V CA 0.999 62.868 62.300 -0.719 0.000 1.065 656 V CB -0.036 31.449 31.823 -0.563 0.000 0.703 656 V HN 0.196 nan 8.190 nan 0.000 0.464 657 I N 0.843 121.243 120.570 -0.283 0.000 2.179 657 I HA -0.124 4.037 4.170 -0.016 0.000 0.242 657 I C -0.226 175.789 176.117 -0.170 0.000 1.088 657 I CA 1.610 62.673 61.300 -0.395 0.000 1.357 657 I CB -1.532 36.074 38.000 -0.657 0.000 1.051 657 I HN 0.351 nan 8.210 nan 0.000 0.409 658 P HA -0.172 nan 4.420 nan 0.000 0.219 658 P C 1.020 178.329 177.300 0.015 0.000 1.146 658 P CA 1.537 64.623 63.100 -0.024 0.000 0.808 658 P CB -0.027 31.666 31.700 -0.013 0.000 0.779 659 A N -1.523 121.293 122.820 -0.008 0.000 2.251 659 A HA 0.458 4.768 4.320 -0.016 0.000 0.209 659 A C 1.107 178.818 177.584 0.211 0.000 1.187 659 A CA 0.163 52.257 52.037 0.094 0.000 0.823 659 A CB -0.714 18.352 19.000 0.110 0.000 0.846 659 A HN 0.207 nan 8.150 nan 0.000 0.486 660 A N -0.366 122.568 122.820 0.189 0.000 2.304 660 A HA 0.531 4.841 4.320 -0.016 0.000 0.301 660 A C 0.285 178.028 177.584 0.264 0.000 1.132 660 A CA -0.357 51.851 52.037 0.285 0.000 0.819 660 A CB 0.515 19.764 19.000 0.415 0.000 1.094 660 A HN 0.231 nan 8.150 nan 0.000 0.492 661 D N 0.456 121.005 120.400 0.250 0.000 2.338 661 D HA 0.113 4.743 4.640 -0.016 0.000 0.224 661 D C 0.013 176.517 176.300 0.340 0.000 0.967 661 D CA 0.838 55.027 54.000 0.316 0.000 0.896 661 D CB 0.306 41.185 40.800 0.132 0.000 1.028 661 D HN 0.349 nan 8.370 nan 0.000 0.493 662 L N 1.129 122.433 121.223 0.134 0.000 2.349 662 L HA 0.267 4.597 4.340 -0.016 0.000 0.278 662 L C -0.722 176.007 176.870 -0.234 0.000 0.996 662 L CA -0.302 54.538 54.840 -0.000 0.000 0.825 662 L CB 2.078 44.116 42.059 -0.035 0.000 1.243 662 L HN -0.197 nan 8.230 nan 0.000 0.412 663 S N 4.213 119.688 115.700 -0.375 0.000 2.411 663 S HA 0.250 4.711 4.470 -0.016 0.000 0.294 663 S C -0.209 174.110 174.600 -0.467 0.000 1.115 663 S CA -0.660 57.073 58.200 -0.778 0.000 1.071 663 S CB 0.324 63.065 63.200 -0.765 0.000 0.967 663 S HN 0.504 nan 8.310 nan 0.000 0.488 664 E N 4.219 124.161 120.200 -0.430 0.000 2.070 664 E HA 0.152 4.492 4.350 -0.016 0.000 0.282 664 E C -0.424 176.054 176.600 -0.203 0.000 1.104 664 E CA -0.260 56.005 56.400 -0.226 0.000 0.876 664 E CB 0.753 30.351 29.700 -0.170 0.000 1.055 664 E HN 0.604 nan 8.360 nan 0.000 0.401 665 Q N 2.797 122.528 119.800 -0.116 0.000 2.788 665 Q HA 0.268 4.599 4.340 -0.016 0.000 0.261 665 Q C 0.628 176.602 176.000 -0.044 0.000 1.029 665 Q CA -0.157 55.594 55.803 -0.087 0.000 0.848 665 Q CB 0.164 28.864 28.738 -0.064 0.000 1.185 665 Q HN 0.600 nan 8.270 nan 0.000 0.482 666 I N -1.648 118.880 120.570 -0.070 0.000 3.424 666 I HA 0.288 4.448 4.170 -0.016 0.000 0.339 666 I C 0.309 176.368 176.117 -0.098 0.000 1.549 666 I CA -0.673 60.597 61.300 -0.050 0.000 1.049 666 I CB 0.532 38.501 38.000 -0.052 0.000 1.439 666 I HN 0.008 nan 8.210 nan 0.000 0.500 667 S N 0.272 115.916 115.700 -0.094 0.000 2.579 667 S HA 0.250 4.710 4.470 -0.016 0.000 0.275 667 S C 0.554 175.135 174.600 -0.031 0.000 1.345 667 S CA -0.281 57.886 58.200 -0.055 0.000 1.031 667 S CB 0.505 63.722 63.200 0.029 0.000 0.892 667 S HN 0.383 nan 8.310 nan 0.000 0.529 668 T N 2.746 117.318 114.554 0.030 0.000 2.902 668 T HA 0.375 4.715 4.350 -0.016 0.000 0.301 668 T C 0.750 175.462 174.700 0.019 0.000 1.012 668 T CA 0.272 62.393 62.100 0.036 0.000 1.151 668 T CB -0.008 68.946 68.868 0.143 0.000 0.946 668 T HN 1.022 nan 8.240 nan 0.000 0.542 669 A N 2.648 125.448 122.820 -0.034 0.000 2.580 669 A HA 0.447 4.757 4.320 -0.016 0.000 0.244 669 A C 1.630 179.209 177.584 -0.008 0.000 1.045 669 A CA 0.305 52.320 52.037 -0.036 0.000 0.761 669 A CB -0.908 18.057 19.000 -0.058 0.000 0.962 669 A HN 1.723 nan 8.150 nan 0.000 0.512 670 G N 1.393 110.187 108.800 -0.010 0.000 2.176 670 G HA2 -0.228 3.723 3.960 -0.016 0.000 0.232 670 G HA3 -0.228 3.723 3.960 -0.016 0.000 0.232 670 G C 0.823 175.711 174.900 -0.020 0.000 0.986 670 G CA 1.103 46.197 45.100 -0.009 0.000 0.643 670 G HN 1.988 nan 8.290 nan 0.000 0.522 671 T N -2.623 111.919 114.554 -0.020 0.000 3.038 671 T HA 0.410 4.750 4.350 -0.016 0.000 0.244 671 T C 0.728 175.284 174.700 -0.240 0.000 1.016 671 T CA 1.037 63.063 62.100 -0.123 0.000 1.098 671 T CB 0.544 69.407 68.868 -0.008 0.000 0.954 671 T HN 0.247 nan 8.240 nan 0.000 0.469 672 E N 1.604 121.796 120.200 -0.014 0.000 2.052 672 E HA 0.662 5.003 4.350 -0.016 0.000 0.283 672 E C 1.098 177.650 176.600 -0.080 0.000 1.071 672 E CA 0.047 56.472 56.400 0.043 0.000 0.851 672 E CB 0.857 30.633 29.700 0.128 0.000 1.066 672 E HN 0.362 nan 8.360 nan 0.000 0.396 673 A N 3.381 126.077 122.820 -0.207 0.000 1.908 673 A HA -0.183 4.127 4.320 -0.016 0.000 0.218 673 A C 1.951 179.413 177.584 -0.203 0.000 1.181 673 A CA 2.164 53.953 52.037 -0.413 0.000 0.627 673 A CB -0.165 18.334 19.000 -0.835 0.000 0.818 673 A HN 0.604 nan 8.150 nan 0.000 0.445 674 S N -3.988 111.647 115.700 -0.109 0.000 3.916 674 S HA 0.442 4.902 4.470 -0.016 0.000 0.231 674 S C 0.786 175.371 174.600 -0.026 0.000 1.161 674 S CA 1.412 59.591 58.200 -0.034 0.000 0.938 674 S CB -0.285 62.917 63.200 0.004 0.000 1.170 674 S HN 2.255 nan 8.310 nan 0.000 0.508 675 G N 0.342 109.131 108.800 -0.019 0.000 2.755 675 G HA2 -0.074 3.877 3.960 -0.016 0.000 0.686 675 G HA3 -0.074 3.877 3.960 -0.016 0.000 0.686 675 G C 0.302 175.178 174.900 -0.039 0.000 1.427 675 G CA 0.446 45.532 45.100 -0.023 0.000 0.873 675 G HN 1.451 nan 8.290 nan 0.000 0.580 676 T N -2.930 111.587 114.554 -0.060 0.000 3.100 676 T HA 0.374 4.714 4.350 -0.016 0.000 0.255 676 T C 2.423 177.022 174.700 -0.169 0.000 0.893 676 T CA 1.342 63.378 62.100 -0.107 0.000 0.882 676 T CB 0.023 68.822 68.868 -0.116 0.000 1.266 676 T HN 2.020 nan 8.240 nan 0.000 0.528 677 G N 3.311 112.038 108.800 -0.122 0.000 2.469 677 G HA2 -0.340 3.610 3.960 -0.016 0.000 0.219 677 G HA3 -0.340 3.610 3.960 -0.016 0.000 0.219 677 G C 1.442 176.385 174.900 0.073 0.000 1.150 677 G CA 1.415 46.468 45.100 -0.079 0.000 0.763 677 G HN 0.866 nan 8.290 nan 0.000 0.561 678 N N -0.204 118.529 118.700 0.054 0.000 2.094 678 N HA -0.088 4.642 4.740 -0.016 0.000 0.191 678 N C 1.454 176.967 175.510 0.004 0.000 1.023 678 N CA 0.619 53.703 53.050 0.056 0.000 0.857 678 N CB -0.303 38.165 38.487 -0.031 0.000 1.013 678 N HN 0.355 nan 8.380 nan 0.000 0.426 682 M N 0.333 120.024 119.600 0.152 0.000 2.108 682 M HA -0.179 4.292 4.480 -0.016 0.000 0.261 682 M C 1.922 178.281 176.300 0.098 0.000 1.066 682 M CA 1.878 57.241 55.300 0.104 0.000 1.107 682 M CB -0.081 32.570 32.600 0.086 0.000 1.356 682 M HN 0.311 nan 8.290 nan 0.000 0.406 683 L N 0.342 121.618 121.223 0.087 0.000 2.395 683 L HA -0.019 4.311 4.340 -0.016 0.000 0.218 683 L C 1.175 178.091 176.870 0.078 0.000 1.130 683 L CA 1.440 56.336 54.840 0.093 0.000 0.826 683 L CB -0.477 41.645 42.059 0.105 0.000 0.941 683 L HN 0.326 nan 8.230 nan 0.000 0.451 684 N N -0.479 118.260 118.700 0.066 0.000 2.204 684 N HA 0.200 4.931 4.740 -0.016 0.000 0.219 684 N C 0.820 176.374 175.510 0.074 0.000 1.151 684 N CA 0.765 53.849 53.050 0.056 0.000 0.867 684 N CB 0.818 39.316 38.487 0.017 0.000 1.043 684 N HN 0.360 nan 8.380 nan 0.000 0.516 685 G N 0.532 109.382 108.800 0.083 0.000 2.131 685 G HA2 -0.189 3.762 3.960 -0.016 0.000 0.223 685 G HA3 -0.189 3.762 3.960 -0.016 0.000 0.223 685 G C -0.006 174.980 174.900 0.144 0.000 0.990 685 G CA 0.076 45.229 45.100 0.089 0.000 0.671 685 G HN 0.494 nan 8.290 nan 0.000 0.521 686 A N -0.064 122.850 122.820 0.157 0.000 2.312 686 A HA 0.871 5.181 4.320 -0.016 0.000 0.328 686 A C 0.450 178.051 177.584 0.028 0.000 1.158 686 A CA -0.571 51.572 52.037 0.177 0.000 0.821 686 A CB 0.920 20.082 19.000 0.270 0.000 1.170 686 A HN 0.703 nan 8.150 nan 0.000 0.490 687 L N 0.802 121.993 121.223 -0.053 0.000 2.421 687 L HA 0.440 4.770 4.340 -0.016 0.000 0.263 687 L C 0.258 177.010 176.870 -0.196 0.000 1.122 687 L CA -0.306 54.404 54.840 -0.217 0.000 0.804 687 L CB 1.324 43.141 42.059 -0.405 0.000 1.150 687 L HN 0.665 nan 8.230 nan 0.000 0.457 688 T N 2.481 116.810 114.554 -0.374 0.000 2.786 688 T HA 0.433 4.773 4.350 -0.016 0.000 0.283 688 T C -0.391 174.144 174.700 -0.275 0.000 0.992 688 T CA -0.253 61.581 62.100 -0.442 0.000 0.954 688 T CB 1.286 69.690 68.868 -0.774 0.000 0.934 688 T HN 0.333 nan 8.240 nan 0.000 0.440 689 I N 3.339 123.850 120.570 -0.098 0.000 2.315 689 I HA 0.683 4.843 4.170 -0.016 0.000 0.291 689 I C 0.242 176.466 176.117 0.179 0.000 1.006 689 I CA 0.262 61.616 61.300 0.090 0.000 1.265 689 I CB 0.189 38.209 38.000 0.033 0.000 1.387 689 I HN 0.755 nan 8.210 nan 0.000 0.475 690 G N 4.017 112.996 108.800 0.298 0.000 2.646 690 G HA2 0.475 4.426 3.960 -0.016 0.000 0.291 690 G HA3 0.475 4.426 3.960 -0.016 0.000 0.291 690 G C -0.939 173.907 174.900 -0.089 0.000 1.445 690 G CA -0.492 44.709 45.100 0.168 0.000 0.814 690 G HN 0.573 nan 8.290 nan 0.000 0.495 691 T N -1.032 113.334 114.554 -0.312 0.000 2.874 691 T HA 0.507 4.847 4.350 -0.016 0.000 0.281 691 T C 0.691 175.288 174.700 -0.172 0.000 0.994 691 T CA -0.734 61.108 62.100 -0.430 0.000 1.015 691 T CB 1.163 69.767 68.868 -0.439 0.000 1.028 691 T HN 0.256 nan 8.240 nan 0.000 0.523 692 M N 3.046 122.555 119.600 -0.151 0.000 3.042 692 M HA 0.335 4.805 4.480 -0.016 0.000 0.283 692 M C -0.438 175.816 176.300 -0.076 0.000 1.473 692 M CA -0.017 55.229 55.300 -0.089 0.000 1.583 692 M CB -1.674 30.880 32.600 -0.077 0.000 1.221 692 M HN 0.741 nan 8.290 nan 0.000 0.518 693 D N 0.267 120.629 120.400 -0.062 0.000 2.645 693 D HA 0.668 5.298 4.640 -0.016 0.000 0.228 693 D C 0.727 177.010 176.300 -0.028 0.000 1.148 693 D CA 0.720 54.694 54.000 -0.042 0.000 0.860 693 D CB 1.750 42.524 40.800 -0.043 0.000 1.548 693 D HN 0.612 nan 8.370 nan 0.000 0.460 694 G N 1.649 110.440 108.800 -0.015 0.000 2.661 694 G HA2 -0.288 3.663 3.960 -0.016 0.000 0.327 694 G HA3 -0.288 3.663 3.960 -0.016 0.000 0.327 694 G C 1.095 175.991 174.900 -0.007 0.000 1.320 694 G CA 1.442 46.537 45.100 -0.009 0.000 0.997 694 G HN 1.066 nan 8.290 nan 0.000 0.543 695 A N -0.372 122.437 122.820 -0.018 0.000 2.168 695 A HA 0.077 4.387 4.320 -0.016 0.000 0.215 695 A C 2.130 179.658 177.584 -0.094 0.000 1.152 695 A CA 1.851 53.869 52.037 -0.031 0.000 0.716 695 A CB -0.453 18.508 19.000 -0.066 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.611 119.266 118.700 -0.074 0.000 2.132 696 N HA -0.166 4.564 4.740 -0.016 0.000 0.191 696 N C 1.571 176.977 175.510 -0.173 0.000 1.015 696 N CA 1.690 54.699 53.050 -0.069 0.000 0.864 696 N CB -0.653 37.846 38.487 0.021 0.000 1.006 696 N HN 0.309 nan 8.380 nan 0.000 0.430 697 V N 1.072 120.921 119.914 -0.109 0.000 2.343 697 V HA -0.190 3.920 4.120 -0.016 0.000 0.247 697 V C 1.936 177.966 176.094 -0.107 0.000 1.051 697 V CA 1.637 63.869 62.300 -0.114 0.000 1.036 697 V CB -0.483 31.305 31.823 -0.059 0.000 0.654 697 V HN 0.343 nan 8.190 nan 0.000 0.451 698 E N -0.575 119.614 120.200 -0.018 0.000 2.216 698 E HA -0.077 4.264 4.350 -0.016 0.000 0.192 698 E C 2.203 178.916 176.600 0.187 0.000 0.988 698 E CA 0.850 57.314 56.400 0.107 0.000 0.834 698 E CB -0.146 29.701 29.700 0.246 0.000 0.772 698 E HN 0.542 nan 8.360 nan 0.000 0.479 699 M N 0.414 120.008 119.600 -0.011 0.000 2.132 699 M HA -0.108 4.362 4.480 -0.016 0.000 0.263 699 M C 2.465 178.516 176.300 -0.416 0.000 1.065 699 M CA 1.447 56.668 55.300 -0.133 0.000 1.122 699 M CB -0.123 32.303 32.600 -0.289 0.000 1.365 699 M HN 0.133 nan 8.290 nan 0.000 0.411 700 A N 0.061 122.366 122.820 -0.859 0.000 1.930 700 A HA -0.210 4.100 4.320 -0.016 0.000 0.217 700 A C 1.987 179.359 177.584 -0.355 0.000 1.175 700 A CA 1.907 53.383 52.037 -0.936 0.000 0.627 700 A CB -0.800 17.663 19.000 -0.895 0.000 0.815 700 A HN 0.595 nan 8.150 nan 0.000 0.443 701 E N -0.313 119.758 120.200 -0.215 0.000 2.110 701 E HA -0.218 4.122 4.350 -0.016 0.000 0.193 701 E C 1.651 178.213 176.600 -0.063 0.000 0.988 701 E CA 1.318 57.655 56.400 -0.105 0.000 0.804 701 E CB -0.081 29.580 29.700 -0.065 0.000 0.745 701 E HN 0.567 nan 8.360 nan 0.000 0.458 702 E N -0.000 120.184 120.200 -0.025 0.000 2.112 702 E HA -0.073 4.268 4.350 -0.016 0.000 0.190 702 E C 1.732 178.341 176.600 0.014 0.000 0.979 702 E CA 1.048 57.456 56.400 0.013 0.000 0.814 702 E CB 0.027 29.779 29.700 0.087 0.000 0.762 702 E HN 0.368 nan 8.360 nan 0.000 0.460 703 A N 0.485 123.308 122.820 0.005 0.000 2.238 703 A HA 0.400 4.710 4.320 -0.016 0.000 0.210 703 A C 0.980 178.564 177.584 0.001 0.000 1.179 703 A CA 0.831 52.888 52.037 0.034 0.000 0.827 703 A CB 0.079 19.146 19.000 0.113 0.000 0.856 703 A HN 0.206 nan 8.150 nan 0.000 0.488 704 G N -0.301 108.473 108.800 -0.043 0.000 2.879 704 G HA2 -0.147 3.803 3.960 -0.016 0.000 0.686 704 G HA3 -0.147 3.803 3.960 -0.016 0.000 0.686 704 G C 0.089 174.957 174.900 -0.053 0.000 1.115 704 G CA 0.014 45.086 45.100 -0.047 0.000 0.770 704 G HN 0.296 nan 8.290 nan 0.000 0.601 705 E N 1.107 121.268 120.200 -0.064 0.000 2.171 705 E HA -0.202 4.138 4.350 -0.016 0.000 0.197 705 E C 2.139 178.724 176.600 -0.026 0.000 0.997 705 E CA 1.857 58.230 56.400 -0.045 0.000 0.810 705 E CB 0.038 29.713 29.700 -0.041 0.000 0.738 705 E HN 0.779 nan 8.360 nan 0.000 0.467 706 E N 0.693 120.866 120.200 -0.046 0.000 2.204 706 E HA -0.112 4.228 4.350 -0.016 0.000 0.195 706 E C 0.993 177.502 176.600 -0.153 0.000 0.990 706 E CA 0.700 57.051 56.400 -0.081 0.000 0.821 706 E CB -0.069 29.597 29.700 -0.056 0.000 0.750 706 E HN 0.156 nan 8.360 nan 0.000 0.477 707 N N -0.310 118.331 118.700 -0.100 0.000 2.295 707 N HA 0.140 4.871 4.740 -0.016 0.000 0.221 707 N C -1.004 174.419 175.510 -0.143 0.000 1.129 707 N CA 0.131 53.097 53.050 -0.140 0.000 0.836 707 N CB 0.299 38.760 38.487 -0.043 0.000 1.040 707 N HN 0.045 nan 8.380 nan 0.000 0.494 708 F N -0.346 119.340 119.950 -0.440 0.000 2.608 708 F HA 0.352 4.869 4.527 -0.017 0.000 0.309 708 F C -1.056 174.472 175.800 -0.452 0.000 1.103 708 F CA -1.032 56.752 58.000 -0.359 0.000 0.954 708 F CB 1.255 40.157 39.000 -0.163 0.000 1.267 708 F HN -0.213 nan 8.300 nan 0.000 0.444 709 F N 5.779 125.684 119.950 -0.074 0.000 2.395 709 F HA 0.434 4.951 4.527 -0.016 0.000 0.347 709 F C -0.048 175.854 175.800 0.171 0.000 1.157 709 F CA -0.470 57.546 58.000 0.026 0.000 1.272 709 F CB -0.068 38.898 39.000 -0.057 0.000 1.607 709 F HN 0.091 nan 8.300 nan 0.000 0.571 710 I N 3.688 124.453 120.570 0.325 0.000 2.441 710 I HA 0.285 4.446 4.170 -0.016 0.000 0.287 710 I C -0.183 176.113 176.117 0.298 0.000 1.049 710 I CA -0.399 61.062 61.300 0.268 0.000 1.381 710 I CB 0.555 38.651 38.000 0.158 0.000 1.409 710 I HN 0.337 nan 8.210 nan 0.000 0.523 711 F N 4.048 124.065 119.950 0.113 0.000 2.643 711 F HA 0.934 5.451 4.527 -0.017 0.000 0.314 711 F C 0.049 175.891 175.800 0.069 0.000 1.096 711 F CA -0.549 57.508 58.000 0.094 0.000 0.953 711 F CB 1.089 40.159 39.000 0.116 0.000 1.345 711 F HN 0.769 nan 8.300 nan 0.000 0.468 712 G N 1.335 110.191 108.800 0.093 0.000 2.728 712 G HA2 -0.091 3.859 3.960 -0.016 0.000 0.294 712 G HA3 -0.091 3.859 3.960 -0.016 0.000 0.294 712 G C -0.845 174.027 174.900 -0.046 0.000 1.342 712 G CA -0.647 44.453 45.100 0.001 0.000 0.866 712 G HN 0.973 nan 8.290 nan 0.000 0.534 713 M N 1.049 120.630 119.600 -0.031 0.000 2.251 713 M HA 0.161 4.631 4.480 -0.016 0.000 0.343 713 M C 1.378 177.642 176.300 -0.060 0.000 1.245 713 M CA 0.126 55.413 55.300 -0.022 0.000 1.061 713 M CB 0.224 32.819 32.600 -0.008 0.000 1.723 713 M HN 0.522 nan 8.290 nan 0.000 0.449 714 R N 1.986 122.465 120.500 -0.034 0.000 2.571 714 R HA 0.228 4.559 4.340 -0.016 0.000 0.259 714 R C 1.305 177.586 176.300 -0.031 0.000 1.226 714 R CA -0.453 55.623 56.100 -0.040 0.000 1.157 714 R CB -0.128 30.157 30.300 -0.026 0.000 1.220 714 R HN 0.567 nan 8.270 nan 0.000 0.605 715 V N 1.297 121.193 119.914 -0.030 0.000 2.343 715 V HA -0.242 3.868 4.120 -0.016 0.000 0.247 715 V C 2.007 178.092 176.094 -0.015 0.000 1.051 715 V CA 1.972 64.258 62.300 -0.024 0.000 1.036 715 V CB -0.531 31.276 31.823 -0.026 0.000 0.654 715 V HN 0.599 nan 8.190 nan 0.000 0.451 716 E N 0.389 120.583 120.200 -0.011 0.000 2.118 716 E HA -0.206 4.134 4.350 -0.016 0.000 0.195 716 E C 1.934 178.538 176.600 0.008 0.000 0.992 716 E CA 1.536 57.935 56.400 -0.003 0.000 0.804 716 E CB -0.362 29.338 29.700 -0.001 0.000 0.741 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.339 120.067 120.400 0.011 0.000 2.183 717 D HA -0.081 4.550 4.640 -0.016 0.000 0.203 717 D C 1.948 178.265 176.300 0.028 0.000 0.969 717 D CA 0.719 54.735 54.000 0.027 0.000 0.842 717 D CB -0.042 40.778 40.800 0.033 0.000 0.957 717 D HN 0.079 nan 8.370 nan 0.000 0.484 718 V N 1.816 121.734 119.914 0.007 0.000 2.358 718 V HA -0.191 3.919 4.120 -0.016 0.000 0.246 718 V C 2.015 178.110 176.094 0.002 0.000 1.047 718 V CA 1.549 63.846 62.300 -0.005 0.000 1.035 718 V CB -0.356 31.453 31.823 -0.023 0.000 0.658 718 V HN 0.032 nan 8.190 nan 0.000 0.452 719 D N 0.058 120.459 120.400 0.003 0.000 2.104 719 D HA -0.162 4.469 4.640 -0.016 0.000 0.194 719 D C 2.420 178.732 176.300 0.020 0.000 0.994 719 D CA 1.339 55.343 54.000 0.006 0.000 0.830 719 D CB -0.228 40.572 40.800 0.001 0.000 0.959 719 D HN 0.331 nan 8.370 nan 0.000 0.452 720 R N 0.160 120.677 120.500 0.028 0.000 2.091 720 R HA -0.065 4.265 4.340 -0.016 0.000 0.238 720 R C 2.537 178.872 176.300 0.059 0.000 1.136 720 R CA 0.577 56.702 56.100 0.040 0.000 0.959 720 R CB -0.390 29.936 30.300 0.042 0.000 0.856 720 R HN 0.190 nan 8.270 nan 0.000 0.437 721 L N 0.557 121.824 121.223 0.073 0.000 2.017 721 L HA -0.212 4.118 4.340 -0.016 0.000 0.208 721 L C 1.547 178.480 176.870 0.105 0.000 1.073 721 L CA 1.405 56.315 54.840 0.115 0.000 0.745 721 L CB -0.259 41.885 42.059 0.141 0.000 0.894 721 L HN 0.194 nan 8.230 nan 0.000 0.432 722 D N -0.538 119.899 120.400 0.061 0.000 2.182 722 D HA -0.225 4.405 4.640 -0.016 0.000 0.201 722 D C 2.231 178.560 176.300 0.048 0.000 0.986 722 D CA 1.147 55.175 54.000 0.046 0.000 0.847 722 D CB 0.031 40.838 40.800 0.011 0.000 0.942 722 D HN 0.469 nan 8.370 nan 0.000 0.467 723 Q N -0.141 119.685 119.800 0.044 0.000 2.020 723 Q HA -0.027 4.303 4.340 -0.016 0.000 0.198 723 Q C 2.288 178.315 176.000 0.045 0.000 0.974 723 Q CA 0.874 56.700 55.803 0.038 0.000 0.829 723 Q CB 0.011 28.768 28.738 0.031 0.000 0.894 723 Q HN 0.193 nan 8.270 nan 0.000 0.433 724 R N -0.082 120.451 120.500 0.056 0.000 2.152 724 R HA 0.027 4.358 4.340 -0.016 0.000 0.232 724 R C 0.515 176.853 176.300 0.064 0.000 1.117 724 R CA 0.719 56.853 56.100 0.056 0.000 0.981 724 R CB -0.094 30.244 30.300 0.064 0.000 0.870 724 R HN 0.278 nan 8.270 nan 0.000 0.451 725 G N -0.007 108.845 108.800 0.087 0.000 3.067 725 G HA2 -0.251 3.699 3.960 -0.016 0.000 0.686 725 G HA3 -0.251 3.699 3.960 -0.016 0.000 0.686 725 G C -1.450 173.544 174.900 0.158 0.000 1.119 725 G CA -0.810 44.351 45.100 0.102 0.000 0.790 725 G HN 0.220 nan 8.290 nan 0.000 0.605 726 Y N 3.331 123.658 120.300 0.046 0.000 2.404 726 Y HA 0.539 5.079 4.550 -0.016 0.000 0.344 726 Y C 0.576 176.522 175.900 0.077 0.000 0.995 726 Y CA -0.708 57.436 58.100 0.073 0.000 1.201 726 Y CB 0.821 39.307 38.460 0.043 0.000 1.151 726 Y HN 0.573 nan 8.280 nan 0.000 0.517 727 N N 5.051 123.537 118.700 -0.356 0.000 2.626 727 N HA 0.345 5.075 4.740 -0.016 0.000 0.242 727 N C 0.295 175.562 175.510 -0.405 0.000 1.005 727 N CA 0.181 53.031 53.050 -0.334 0.000 0.905 727 N CB 1.027 39.437 38.487 -0.129 0.000 1.128 727 N HN 0.876 nan 8.380 nan 0.000 0.512 728 A N 2.628 125.115 122.820 -0.555 0.000 1.972 728 A HA -0.213 4.098 4.320 -0.016 0.000 0.219 728 A C 2.019 179.718 177.584 0.193 0.000 1.169 728 A CA 1.218 53.179 52.037 -0.126 0.000 0.635 728 A CB -0.345 18.543 19.000 -0.186 0.000 0.810 728 A HN 0.737 nan 8.150 nan 0.000 0.446 729 Q N 0.384 120.178 119.800 -0.010 0.000 2.133 729 Q HA -0.249 4.081 4.340 -0.016 0.000 0.208 729 Q C 1.874 177.916 176.000 0.071 0.000 0.991 729 Q CA 2.425 58.229 55.803 0.002 0.000 0.867 729 Q CB -0.425 28.277 28.738 -0.060 0.000 0.911 729 Q HN 0.769 nan 8.270 nan 0.000 0.417 730 E N -1.519 118.671 120.200 -0.016 0.000 2.085 730 E HA -0.221 4.119 4.350 -0.016 0.000 0.194 730 E C 1.595 178.101 176.600 -0.157 0.000 0.994 730 E CA 1.355 57.677 56.400 -0.131 0.000 0.801 730 E CB -0.176 29.351 29.700 -0.287 0.000 0.743 730 E HN 0.589 nan 8.360 nan 0.000 0.453 731 Y N -1.217 119.123 120.300 0.067 0.000 2.263 731 Y HA -0.189 4.351 4.550 -0.016 0.000 0.292 731 Y C 2.151 178.016 175.900 -0.059 0.000 1.130 731 Y CA 1.355 59.477 58.100 0.036 0.000 1.179 731 Y CB -0.538 37.985 38.460 0.106 0.000 0.998 731 Y HN 0.221 nan 8.280 nan 0.000 0.532 732 Y N 1.270 121.539 120.300 -0.052 0.000 2.274 732 Y HA -0.238 4.303 4.550 -0.016 0.000 0.290 732 Y C 1.653 177.498 175.900 -0.092 0.000 1.145 732 Y CA 1.627 59.636 58.100 -0.151 0.000 1.203 732 Y CB -0.337 38.073 38.460 -0.084 0.000 0.984 732 Y HN 0.082 nan 8.280 nan 0.000 0.533 733 D N -0.315 120.157 120.400 0.120 0.000 2.149 733 D HA -0.087 4.543 4.640 -0.016 0.000 0.201 733 D C 1.955 178.225 176.300 -0.050 0.000 0.972 733 D CA 1.095 55.116 54.000 0.035 0.000 0.835 733 D CB -0.042 40.791 40.800 0.055 0.000 0.966 733 D HN 0.470 nan 8.370 nan 0.000 0.476 734 R N 0.072 120.542 120.500 -0.051 0.000 2.265 734 R HA 0.227 4.558 4.340 -0.016 0.000 0.194 734 R C 0.609 176.886 176.300 -0.038 0.000 0.931 734 R CA 0.136 56.209 56.100 -0.045 0.000 1.032 734 R CB 0.689 30.962 30.300 -0.044 0.000 0.980 734 R HN 0.172 nan 8.270 nan 0.000 0.497 735 I N 2.868 123.404 120.570 -0.058 0.000 2.388 735 I HA 0.217 4.377 4.170 -0.016 0.000 0.281 735 I C -1.861 174.174 176.117 -0.135 0.000 1.046 735 I CA -2.318 58.955 61.300 -0.046 0.000 1.187 735 I CB 1.881 39.894 38.000 0.023 0.000 1.351 735 I HN -0.278 nan 8.210 nan 0.000 0.472 736 P HA -0.183 nan 4.420 nan 0.000 0.216 736 P C 1.217 178.425 177.300 -0.153 0.000 1.153 736 P CA 1.410 64.421 63.100 -0.148 0.000 0.858 736 P CB 0.252 31.896 31.700 -0.094 0.000 0.789 737 E N -0.944 119.205 120.200 -0.085 0.000 2.118 737 E HA -0.198 4.142 4.350 -0.016 0.000 0.195 737 E C 1.868 178.386 176.600 -0.138 0.000 0.992 737 E CA 0.871 57.238 56.400 -0.056 0.000 0.804 737 E CB -0.663 29.070 29.700 0.055 0.000 0.741 737 E HN 0.137 nan 8.360 nan 0.000 0.458 738 L N 1.180 122.246 121.223 -0.262 0.000 2.109 738 L HA -0.106 4.225 4.340 -0.016 0.000 0.207 738 L C 2.334 178.958 176.870 -0.409 0.000 1.086 738 L CA 1.564 56.101 54.840 -0.505 0.000 0.760 738 L CB -0.345 41.281 42.059 -0.721 0.000 0.910 738 L HN -0.086 nan 8.230 nan 0.000 0.437 739 R N -0.890 119.347 120.500 -0.438 0.000 2.083 739 R HA -0.235 4.095 4.340 -0.016 0.000 0.237 739 R C 2.388 178.514 176.300 -0.290 0.000 1.137 739 R CA 1.990 57.744 56.100 -0.578 0.000 0.951 739 R CB -0.342 29.555 30.300 -0.671 0.000 0.851 739 R HN 0.565 nan 8.270 nan 0.000 0.434 740 Q N 0.459 120.131 119.800 -0.214 0.000 2.077 740 Q HA -0.218 4.113 4.340 -0.016 0.000 0.206 740 Q C 2.093 178.038 176.000 -0.092 0.000 0.989 740 Q CA 2.189 57.908 55.803 -0.139 0.000 0.853 740 Q CB -0.168 28.492 28.738 -0.130 0.000 0.907 740 Q HN 0.455 nan 8.270 nan 0.000 0.418 741 I N 0.637 121.156 120.570 -0.085 0.000 2.163 741 I HA -0.314 3.847 4.170 -0.016 0.000 0.243 741 I C 2.181 178.330 176.117 0.053 0.000 1.085 741 I CA 0.732 62.026 61.300 -0.011 0.000 1.347 741 I CB -0.371 37.601 38.000 -0.047 0.000 1.044 741 I HN 0.311 nan 8.210 nan 0.000 0.408 742 I N 0.806 121.404 120.570 0.047 0.000 2.163 742 I HA -0.267 3.893 4.170 -0.016 0.000 0.243 742 I C 2.492 178.712 176.117 0.170 0.000 1.085 742 I CA 1.698 63.095 61.300 0.163 0.000 1.347 742 I CB -1.406 36.780 38.000 0.309 0.000 1.044 742 I HN 0.339 nan 8.210 nan 0.000 0.408 743 E N 0.400 120.675 120.200 0.125 0.000 2.058 743 E HA -0.269 4.071 4.350 -0.016 0.000 0.194 743 E C 2.221 178.882 176.600 0.101 0.000 0.997 743 E CA 1.317 57.780 56.400 0.104 0.000 0.801 743 E CB -0.155 29.572 29.700 0.044 0.000 0.746 743 E HN 0.558 nan 8.360 nan 0.000 0.450 744 Q N 0.366 120.204 119.800 0.063 0.000 2.061 744 Q HA -0.186 4.144 4.340 -0.016 0.000 0.204 744 Q C 2.384 178.562 176.000 0.296 0.000 0.984 744 Q CA 1.235 57.085 55.803 0.079 0.000 0.846 744 Q CB -0.135 28.566 28.738 -0.063 0.000 0.902 744 Q HN 0.313 nan 8.270 nan 0.000 0.421 745 L N -0.090 121.332 121.223 0.332 0.000 2.012 745 L HA -0.222 4.109 4.340 -0.016 0.000 0.210 745 L C 2.491 179.555 176.870 0.323 0.000 1.073 745 L CA 1.115 56.174 54.840 0.366 0.000 0.748 745 L CB -0.454 41.741 42.059 0.227 0.000 0.891 745 L HN 0.171 nan 8.230 nan 0.000 0.431 746 S N -0.188 115.654 115.700 0.237 0.000 2.368 746 S HA -0.153 4.307 4.470 -0.016 0.000 0.225 746 S C 1.985 176.689 174.600 0.173 0.000 1.030 746 S CA 1.623 59.940 58.200 0.194 0.000 0.999 746 S CB -0.243 63.052 63.200 0.159 0.000 0.844 746 S HN 0.603 nan 8.310 nan 0.000 0.459 747 S N 0.225 116.027 115.700 0.169 0.000 2.603 747 S HA 0.377 4.837 4.470 -0.016 0.000 0.220 747 S C 1.369 176.056 174.600 0.146 0.000 0.967 747 S CA 0.535 58.818 58.200 0.139 0.000 0.920 747 S CB 0.047 63.320 63.200 0.121 0.000 0.773 747 S HN 0.792 nan 8.310 nan 0.000 0.529 748 G N 0.680 109.597 108.800 0.194 0.000 2.131 748 G HA2 -0.304 3.647 3.960 -0.016 0.000 0.223 748 G HA3 -0.304 3.647 3.960 -0.016 0.000 0.223 748 G C 0.213 175.197 174.900 0.140 0.000 0.990 748 G CA 0.094 45.297 45.100 0.170 0.000 0.671 748 G HN 0.496 nan 8.290 nan 0.000 0.521 749 F N 0.200 120.137 119.950 -0.021 0.000 2.154 749 F HA 0.087 4.605 4.527 -0.016 0.000 0.301 749 F C 1.959 177.516 175.800 -0.404 0.000 1.087 749 F CA 2.294 60.138 58.000 -0.260 0.000 1.274 749 F CB -0.060 38.681 39.000 -0.432 0.000 1.009 749 F HN 0.204 nan 8.300 nan 0.000 0.485 750 F N -0.713 119.364 119.950 0.212 0.000 2.695 750 F HA 0.193 4.710 4.527 -0.016 0.000 0.303 750 F C 0.744 176.646 175.800 0.169 0.000 1.091 750 F CA 0.198 58.273 58.000 0.125 0.000 1.300 750 F CB -0.104 38.972 39.000 0.126 0.000 1.071 750 F HN -0.076 nan 8.300 nan 0.000 0.578 751 S N -1.705 114.143 115.700 0.245 0.000 2.359 751 S HA 0.329 4.789 4.470 -0.016 0.000 0.148 751 S C -2.454 172.163 174.600 0.029 0.000 1.610 751 S CA -1.043 57.230 58.200 0.122 0.000 1.274 751 S CB 0.809 64.040 63.200 0.053 0.000 1.380 751 S HN -0.164 nan 8.310 nan 0.000 0.380 752 P HA -0.035 nan 4.420 nan 0.000 0.215 752 P C 1.117 178.403 177.300 -0.023 0.000 1.153 752 P CA 1.140 64.215 63.100 -0.043 0.000 0.853 752 P CB 0.118 31.766 31.700 -0.087 0.000 0.788 753 K N -1.103 119.285 120.400 -0.021 0.000 2.366 753 K HA 0.014 4.324 4.320 -0.016 0.000 0.198 753 K C 0.551 177.146 176.600 -0.008 0.000 1.044 753 K CA 0.702 56.981 56.287 -0.014 0.000 0.973 753 K CB 0.092 32.585 32.500 -0.012 0.000 0.767 753 K HN 0.312 nan 8.250 nan 0.000 0.475 754 Q N -0.379 119.414 119.800 -0.012 0.000 2.932 754 Q HA 0.157 4.487 4.340 -0.016 0.000 0.248 754 Q C -2.427 173.563 176.000 -0.017 0.000 0.982 754 Q CA -1.662 54.130 55.803 -0.018 0.000 0.730 754 Q CB 1.546 30.266 28.738 -0.030 0.000 1.249 754 Q HN -0.094 nan 8.270 nan 0.000 0.476 755 P HA -0.229 nan 4.420 nan 0.000 0.216 755 P C 0.669 177.997 177.300 0.047 0.000 1.153 755 P CA 1.565 64.686 63.100 0.036 0.000 0.858 755 P CB 0.180 31.902 31.700 0.037 0.000 0.789 756 D N -0.947 119.468 120.400 0.025 0.000 2.460 756 D HA -0.004 4.626 4.640 -0.016 0.000 0.229 756 D C 1.421 177.718 176.300 -0.005 0.000 1.170 756 D CA -0.298 53.726 54.000 0.039 0.000 0.827 756 D CB -0.624 40.203 40.800 0.045 0.000 0.973 756 D HN 0.033 nan 8.370 nan 0.000 0.496 757 L N -0.440 120.714 121.223 -0.115 0.000 2.131 757 L HA 0.059 4.389 4.340 -0.016 0.000 0.210 757 L C 0.987 177.639 176.870 -0.364 0.000 1.092 757 L CA 1.535 56.191 54.840 -0.307 0.000 0.759 757 L CB -0.501 41.205 42.059 -0.588 0.000 0.903 757 L HN -0.006 nan 8.230 nan 0.000 0.435 758 F N -0.513 119.496 119.950 0.098 0.000 2.668 758 F HA 0.157 4.674 4.527 -0.016 0.000 0.297 758 F C 1.812 177.668 175.800 0.094 0.000 1.124 758 F CA -0.228 57.822 58.000 0.082 0.000 1.353 758 F CB -0.246 38.793 39.000 0.065 0.000 0.992 758 F HN 0.089 nan 8.300 nan 0.000 0.524 759 K N -0.499 120.019 120.400 0.198 0.000 2.147 759 K HA -0.168 4.142 4.320 -0.016 0.000 0.205 759 K C 0.875 177.579 176.600 0.173 0.000 1.049 759 K CA 1.902 58.289 56.287 0.168 0.000 0.936 759 K CB -0.208 32.364 32.500 0.120 0.000 0.722 759 K HN 0.075 nan 8.250 nan 0.000 0.446 760 D N 1.212 121.723 120.400 0.185 0.000 2.144 760 D HA -0.058 4.572 4.640 -0.016 0.000 0.200 760 D C 2.015 178.422 176.300 0.179 0.000 0.978 760 D CA 0.968 55.081 54.000 0.189 0.000 0.833 760 D CB -0.098 40.842 40.800 0.234 0.000 0.961 760 D HN 0.290 nan 8.370 nan 0.000 0.470 761 I N 0.449 121.130 120.570 0.184 0.000 2.163 761 I HA -0.224 3.936 4.170 -0.016 0.000 0.240 761 I C 2.409 178.595 176.117 0.115 0.000 1.081 761 I CA 0.619 61.999 61.300 0.134 0.000 1.353 761 I CB -0.181 37.891 38.000 0.119 0.000 1.054 761 I HN -0.126 nan 8.210 nan 0.000 0.407 762 V N 1.099 121.101 119.914 0.146 0.000 2.282 762 V HA -0.337 3.773 4.120 -0.016 0.000 0.249 762 V C 2.192 178.347 176.094 0.101 0.000 1.057 762 V CA 2.511 64.891 62.300 0.133 0.000 1.032 762 V CB -1.020 30.896 31.823 0.156 0.000 0.645 762 V HN 0.484 nan 8.190 nan 0.000 0.447 763 N N -0.473 118.316 118.700 0.148 0.000 2.166 763 N HA -0.183 4.548 4.740 -0.016 0.000 0.186 763 N C 1.799 177.445 175.510 0.225 0.000 1.019 763 N CA 1.501 54.677 53.050 0.210 0.000 0.856 763 N CB -0.228 38.406 38.487 0.245 0.000 0.993 763 N HN 0.362 nan 8.380 nan 0.000 0.426 764 M N -0.257 119.457 119.600 0.190 0.000 2.099 764 M HA -0.077 4.393 4.480 -0.016 0.000 0.262 764 M C 1.314 177.630 176.300 0.027 0.000 1.067 764 M CA 1.205 56.617 55.300 0.186 0.000 1.124 764 M CB -0.582 32.112 32.600 0.156 0.000 1.353 764 M HN 0.172 nan 8.290 nan 0.000 0.410 765 L N 0.812 121.992 121.223 -0.071 0.000 2.079 765 L HA -0.225 4.106 4.340 -0.016 0.000 0.210 765 L C 2.444 179.048 176.870 -0.443 0.000 1.081 765 L CA 1.663 56.307 54.840 -0.327 0.000 0.752 765 L CB -1.114 40.750 42.059 -0.325 0.000 0.896 765 L HN 0.354 nan 8.230 nan 0.000 0.433 766 M N -2.117 117.302 119.600 -0.301 0.000 2.287 766 M HA -0.047 4.424 4.480 -0.016 0.000 0.266 766 M C 1.809 177.690 176.300 -0.697 0.000 1.079 766 M CA 1.440 56.449 55.300 -0.484 0.000 1.146 766 M CB -0.696 31.543 32.600 -0.603 0.000 1.374 766 M HN 0.337 nan 8.290 nan 0.000 0.435 767 H N -2.520 116.394 119.070 -0.261 0.000 3.400 767 H HA 0.228 4.774 4.556 -0.016 0.000 0.251 767 H C 0.149 175.054 175.328 -0.705 0.000 1.040 767 H CA 0.468 56.189 56.048 -0.544 0.000 1.175 767 H CB 0.424 29.723 29.762 -0.772 0.000 1.487 767 H HN 0.493 nan 8.280 nan 0.000 0.505 768 H N 0.105 119.237 119.070 0.104 0.000 2.790 768 H HA 0.164 4.710 4.556 -0.016 0.000 0.232 768 H C -0.747 174.609 175.328 0.046 0.000 1.313 768 H CA -0.374 55.721 56.048 0.079 0.000 1.011 768 H CB 0.735 30.544 29.762 0.079 0.000 2.105 768 H HN -0.021 nan 8.280 nan 0.000 0.580 769 D N 1.051 121.511 120.400 0.101 0.000 2.393 769 D HA 0.108 4.739 4.640 -0.016 0.000 0.232 769 D C 0.923 177.182 176.300 -0.067 0.000 1.192 769 D CA -0.272 53.758 54.000 0.049 0.000 0.882 769 D CB 0.623 41.437 40.800 0.023 0.000 1.038 769 D HN 0.299 nan 8.370 nan 0.000 0.499 770 R N 2.180 122.551 120.500 -0.214 0.000 2.280 770 R HA 0.021 4.352 4.340 -0.016 0.000 0.207 770 R C 0.566 176.379 176.300 -0.812 0.000 1.043 770 R CA 0.825 56.584 56.100 -0.569 0.000 1.006 770 R CB 0.164 29.956 30.300 -0.847 0.000 0.885 770 R HN 0.395 nan 8.270 nan 0.000 0.467 771 F N -0.083 119.818 119.950 -0.083 0.000 2.729 771 F HA 0.283 4.801 4.527 -0.016 0.000 0.315 771 F C -0.010 175.672 175.800 -0.197 0.000 1.102 771 F CA -0.738 57.208 58.000 -0.090 0.000 1.204 771 F CB 0.377 39.389 39.000 0.021 0.000 1.052 771 F HN -0.259 nan 8.300 nan 0.000 0.551 772 K N -0.299 119.934 120.400 -0.279 0.000 3.150 772 K HA -0.173 4.138 4.320 -0.016 0.000 0.267 772 K C 0.951 177.448 176.600 -0.172 0.000 1.028 772 K CA 0.245 56.188 56.287 -0.574 0.000 0.753 772 K CB -1.972 30.066 32.500 -0.769 0.000 1.288 772 K HN 0.191 nan 8.250 nan 0.000 0.473 773 V N -0.031 119.853 119.914 -0.051 0.000 2.278 773 V HA -0.312 3.798 4.120 -0.016 0.000 0.251 773 V C 1.947 178.174 176.094 0.221 0.000 1.062 773 V CA 2.437 64.773 62.300 0.061 0.000 1.038 773 V CB -0.521 31.324 31.823 0.037 0.000 0.646 773 V HN 0.498 nan 8.190 nan 0.000 0.447 774 F N 0.021 119.998 119.950 0.044 0.000 2.234 774 F HA -0.141 4.376 4.527 -0.016 0.000 0.299 774 F C 2.474 178.087 175.800 -0.311 0.000 1.087 774 F CA 0.554 58.525 58.000 -0.049 0.000 1.340 774 F CB -0.305 38.685 39.000 -0.018 0.000 1.031 774 F HN 0.201 nan 8.300 nan 0.000 0.500 775 A N -0.653 122.039 122.820 -0.214 0.000 2.067 775 A HA -0.171 4.139 4.320 -0.016 0.000 0.219 775 A C 1.416 178.980 177.584 -0.033 0.000 1.158 775 A CA 1.668 53.450 52.037 -0.424 0.000 0.661 775 A CB -0.392 18.515 19.000 -0.155 0.000 0.801 775 A HN 0.202 nan 8.150 nan 0.000 0.452 776 D N -2.812 117.646 120.400 0.097 0.000 2.398 776 D HA 0.095 4.726 4.640 -0.016 0.000 0.210 776 D C 1.132 177.607 176.300 0.292 0.000 1.094 776 D CA -0.060 54.074 54.000 0.223 0.000 0.839 776 D CB -0.091 40.856 40.800 0.244 0.000 0.963 776 D HN 0.581 nan 8.370 nan 0.000 0.506 777 Y N 1.929 122.319 120.300 0.150 0.000 2.114 777 Y HA -0.195 4.345 4.550 -0.016 0.000 0.284 777 Y C 2.115 178.101 175.900 0.143 0.000 1.143 777 Y CA 1.847 60.047 58.100 0.166 0.000 1.135 777 Y CB 0.219 38.753 38.460 0.123 0.000 0.980 777 Y HN -0.113 nan 8.280 nan 0.000 0.499 778 E N -0.006 120.245 120.200 0.086 0.000 2.038 778 E HA -0.247 4.094 4.350 -0.016 0.000 0.195 778 E C 2.130 178.687 176.600 -0.072 0.000 1.000 778 E CA 1.638 58.017 56.400 -0.035 0.000 0.803 778 E CB -0.153 29.632 29.700 0.141 0.000 0.750 778 E HN 0.632 nan 8.360 nan 0.000 0.448 779 E N -0.460 119.777 120.200 0.061 0.000 2.274 779 E HA -0.173 4.168 4.350 -0.016 0.000 0.194 779 E C 1.774 178.367 176.600 -0.012 0.000 0.996 779 E CA 0.429 56.886 56.400 0.096 0.000 0.840 779 E CB -0.017 29.824 29.700 0.235 0.000 0.772 779 E HN 0.271 nan 8.360 nan 0.000 0.491 780 Y N 0.864 120.964 120.300 -0.334 0.000 2.220 780 Y HA -0.167 4.373 4.550 -0.016 0.000 0.291 780 Y C 2.030 177.535 175.900 -0.658 0.000 1.129 780 Y CA 0.805 58.374 58.100 -0.884 0.000 1.161 780 Y CB -0.367 37.600 38.460 -0.821 0.000 0.997 780 Y HN -0.211 nan 8.280 nan 0.000 0.522 781 V N 0.457 120.007 119.914 -0.607 0.000 2.343 781 V HA -0.296 3.814 4.120 -0.016 0.000 0.247 781 V C 2.315 178.186 176.094 -0.371 0.000 1.051 781 V CA 2.301 64.276 62.300 -0.541 0.000 1.036 781 V CB -0.613 30.901 31.823 -0.515 0.000 0.654 781 V HN 0.208 nan 8.190 nan 0.000 0.451 782 K N -0.679 119.565 120.400 -0.260 0.000 2.032 782 K HA -0.202 4.109 4.320 -0.016 0.000 0.209 782 K C 2.274 178.783 176.600 -0.151 0.000 1.048 782 K CA 1.861 58.058 56.287 -0.149 0.000 0.927 782 K CB -0.854 31.608 32.500 -0.063 0.000 0.712 782 K HN 0.535 nan 8.250 nan 0.000 0.441 783 C N 0.925 120.112 119.300 -0.188 0.000 2.429 783 C HA -0.115 4.335 4.460 -0.016 0.000 0.277 783 C C 2.523 177.328 174.990 -0.310 0.000 1.262 783 C CA 0.817 59.744 59.018 -0.151 0.000 1.733 783 C CB -0.701 26.977 27.740 -0.102 0.000 2.010 783 C HN 0.468 nan 8.230 nan 0.000 0.483 784 Q N 0.368 119.859 119.800 -0.514 0.000 2.124 784 Q HA -0.184 4.146 4.340 -0.016 0.000 0.202 784 Q C 1.959 177.765 176.000 -0.323 0.000 0.977 784 Q CA 1.698 57.159 55.803 -0.570 0.000 0.850 784 Q CB -0.426 27.754 28.738 -0.931 0.000 0.901 784 Q HN 0.754 nan 8.270 nan 0.000 0.429 785 E N 0.145 120.214 120.200 -0.220 0.000 2.110 785 E HA -0.146 4.195 4.350 -0.016 0.000 0.193 785 E C 2.101 178.648 176.600 -0.089 0.000 0.988 785 E CA 0.703 57.029 56.400 -0.122 0.000 0.804 785 E CB 0.015 29.664 29.700 -0.084 0.000 0.745 785 E HN 0.251 nan 8.360 nan 0.000 0.458 786 R N 0.268 120.715 120.500 -0.088 0.000 2.092 786 R HA -0.078 4.253 4.340 -0.016 0.000 0.231 786 R C 2.409 178.659 176.300 -0.082 0.000 1.119 786 R CA 0.898 56.999 56.100 0.001 0.000 0.970 786 R CB -0.350 30.020 30.300 0.117 0.000 0.864 786 R HN 0.072 nan 8.270 nan 0.000 0.440 787 V N 0.637 120.311 119.914 -0.400 0.000 2.287 787 V HA -0.268 3.843 4.120 -0.016 0.000 0.248 787 V C 2.273 178.328 176.094 -0.066 0.000 1.053 787 V CA 1.959 63.936 62.300 -0.538 0.000 1.027 787 V CB -0.397 31.029 31.823 -0.662 0.000 0.646 787 V HN 0.290 nan 8.190 nan 0.000 0.447 788 S N -0.349 115.291 115.700 -0.099 0.000 2.359 788 S HA -0.202 4.258 4.470 -0.016 0.000 0.224 788 S C 2.212 176.858 174.600 0.078 0.000 1.035 788 S CA 1.492 59.674 58.200 -0.031 0.000 1.018 788 S CB -0.508 62.645 63.200 -0.078 0.000 0.876 788 S HN 0.660 nan 8.310 nan 0.000 0.448 789 A N 1.499 124.363 122.820 0.075 0.000 1.883 789 A HA -0.070 4.240 4.320 -0.016 0.000 0.217 789 A C 2.074 179.762 177.584 0.174 0.000 1.186 789 A CA 1.293 53.397 52.037 0.113 0.000 0.624 789 A CB -0.837 18.221 19.000 0.096 0.000 0.822 789 A HN 0.477 nan 8.150 nan 0.000 0.444 790 L N -1.887 119.487 121.223 0.252 0.000 2.275 790 L HA -0.135 4.195 4.340 -0.016 0.000 0.215 790 L C 2.260 179.390 176.870 0.433 0.000 1.119 790 L CA 1.796 56.855 54.840 0.367 0.000 0.790 790 L CB -0.520 41.843 42.059 0.506 0.000 0.919 790 L HN 0.635 nan 8.230 nan 0.000 0.443 791 Y N 0.816 121.221 120.300 0.174 0.000 2.395 791 Y HA -0.159 4.382 4.550 -0.015 0.000 0.293 791 Y C 2.367 178.211 175.900 -0.094 0.000 1.123 791 Y CA 1.213 59.230 58.100 -0.139 0.000 1.227 791 Y CB 0.059 38.240 38.460 -0.465 0.000 1.012 791 Y HN 0.060 nan 8.280 nan 0.000 0.552 792 K N -0.024 120.415 120.400 0.064 0.000 2.280 792 K HA -0.163 4.147 4.320 -0.016 0.000 0.202 792 K C 0.461 177.043 176.600 -0.031 0.000 1.047 792 K CA 1.026 57.333 56.287 0.032 0.000 0.942 792 K CB -0.136 32.431 32.500 0.111 0.000 0.739 792 K HN 0.035 nan 8.250 nan 0.000 0.457 793 N N 0.481 119.178 118.700 -0.004 0.000 3.044 793 N HA 0.139 4.869 4.740 -0.016 0.000 0.254 793 N C -2.398 173.109 175.510 -0.006 0.000 1.253 793 N CA -2.325 50.728 53.050 0.005 0.000 0.944 793 N CB 0.978 39.500 38.487 0.058 0.000 1.217 793 N HN -0.186 nan 8.380 nan 0.000 0.498 794 P HA -0.187 nan 4.420 nan 0.000 0.217 794 P C 1.363 178.671 177.300 0.014 0.000 1.151 794 P CA 1.088 64.105 63.100 -0.139 0.000 0.849 794 P CB 0.339 31.929 31.700 -0.183 0.000 0.787 795 R N -0.103 120.407 120.500 0.016 0.000 2.096 795 R HA -0.155 4.175 4.340 -0.016 0.000 0.235 795 R C 1.862 178.207 176.300 0.075 0.000 1.127 795 R CA 1.359 57.482 56.100 0.038 0.000 0.968 795 R CB -0.263 30.049 30.300 0.022 0.000 0.861 795 R HN 0.100 nan 8.270 nan 0.000 0.440 796 E N -0.102 120.157 120.200 0.098 0.000 2.122 796 E HA -0.185 4.156 4.350 -0.016 0.000 0.190 796 E C 1.560 178.248 176.600 0.147 0.000 0.977 796 E CA 0.508 56.971 56.400 0.105 0.000 0.820 796 E CB -0.509 29.251 29.700 0.100 0.000 0.770 796 E HN 0.451 nan 8.360 nan 0.000 0.462 797 W N 2.278 123.588 121.300 0.016 0.000 2.301 797 W HA -0.261 4.388 4.660 -0.017 0.000 0.325 797 W C 1.741 178.276 176.519 0.027 0.000 1.250 797 W CA 2.506 59.877 57.345 0.044 0.000 1.261 797 W CB -0.621 28.843 29.460 0.007 0.000 1.157 797 W HN 0.057 nan 8.180 nan 0.000 0.473 798 T N 1.003 115.715 114.554 0.264 0.000 2.788 798 T HA -0.183 4.157 4.350 -0.016 0.000 0.268 798 T C 1.865 176.583 174.700 0.029 0.000 1.044 798 T CA 1.756 63.935 62.100 0.133 0.000 1.139 798 T CB -0.356 68.567 68.868 0.092 0.000 0.867 798 T HN 0.186 nan 8.240 nan 0.000 0.454 799 R N 0.344 120.866 120.500 0.037 0.000 2.096 799 R HA 0.085 4.416 4.340 -0.016 0.000 0.235 799 R C 2.521 178.816 176.300 -0.008 0.000 1.127 799 R CA 1.228 57.345 56.100 0.028 0.000 0.968 799 R CB -0.327 29.996 30.300 0.039 0.000 0.861 799 R HN 0.371 nan 8.270 nan 0.000 0.440 800 M N 0.437 120.002 119.600 -0.059 0.000 2.132 800 M HA -0.150 4.321 4.480 -0.016 0.000 0.263 800 M C 1.945 178.158 176.300 -0.144 0.000 1.065 800 M CA 1.414 56.639 55.300 -0.125 0.000 1.122 800 M CB 0.136 32.610 32.600 -0.211 0.000 1.365 800 M HN -0.015 nan 8.290 nan 0.000 0.411 801 V N 1.037 120.844 119.914 -0.179 0.000 2.252 801 V HA -0.339 3.772 4.120 -0.016 0.000 0.249 801 V C 2.232 178.309 176.094 -0.028 0.000 1.056 801 V CA 2.237 64.468 62.300 -0.116 0.000 1.022 801 V CB -0.679 31.104 31.823 -0.066 0.000 0.641 801 V HN 0.515 nan 8.190 nan 0.000 0.445 802 I N -0.677 119.893 120.570 -0.000 0.000 2.208 802 I HA -0.275 3.886 4.170 -0.016 0.000 0.245 802 I C 2.715 178.878 176.117 0.077 0.000 1.097 802 I CA 1.676 63.016 61.300 0.067 0.000 1.363 802 I CB -0.435 37.647 38.000 0.136 0.000 1.051 802 I HN 0.191 nan 8.210 nan 0.000 0.413 803 R N 0.429 120.958 120.500 0.047 0.000 2.159 803 R HA -0.143 4.187 4.340 -0.016 0.000 0.237 803 R C 2.024 178.356 176.300 0.052 0.000 1.131 803 R CA 1.208 57.334 56.100 0.044 0.000 0.982 803 R CB -0.435 29.877 30.300 0.019 0.000 0.868 803 R HN 0.548 nan 8.270 nan 0.000 0.453 804 N N 0.585 119.311 118.700 0.044 0.000 2.132 804 N HA -0.076 4.655 4.740 -0.016 0.000 0.187 804 N C 1.988 177.554 175.510 0.094 0.000 1.038 804 N CA 1.106 54.203 53.050 0.079 0.000 0.846 804 N CB -0.060 38.457 38.487 0.050 0.000 1.012 804 N HN 0.118 nan 8.380 nan 0.000 0.429 805 I N 1.751 122.366 120.570 0.074 0.000 2.194 805 I HA -0.267 3.893 4.170 -0.016 0.000 0.246 805 I C 2.463 178.628 176.117 0.080 0.000 1.093 805 I CA 1.104 62.452 61.300 0.079 0.000 1.355 805 I CB -0.405 37.633 38.000 0.063 0.000 1.046 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.434 123.302 122.820 0.079 0.000 2.070 806 A HA -0.161 4.150 4.320 -0.016 0.000 0.220 806 A C 2.119 179.741 177.584 0.063 0.000 1.159 806 A CA 2.067 54.143 52.037 0.066 0.000 0.656 806 A CB -0.865 18.180 19.000 0.076 0.000 0.800 806 A HN 0.557 nan 8.150 nan 0.000 0.453 807 T N -2.699 111.904 114.554 0.082 0.000 3.134 807 T HA 0.158 4.498 4.350 -0.016 0.000 0.260 807 T C 1.166 175.950 174.700 0.139 0.000 1.027 807 T CA 0.631 62.782 62.100 0.085 0.000 0.913 807 T CB -0.185 68.729 68.868 0.077 0.000 1.046 807 T HN 0.477 nan 8.240 nan 0.000 0.553 808 S N 0.297 116.099 115.700 0.169 0.000 2.603 808 S HA 0.238 4.698 4.470 -0.016 0.000 0.220 808 S C 2.164 176.890 174.600 0.210 0.000 0.967 808 S CA 0.173 58.545 58.200 0.286 0.000 0.920 808 S CB -0.597 62.748 63.200 0.242 0.000 0.773 808 S HN 0.532 nan 8.310 nan 0.000 0.529 809 G N 2.660 111.507 108.800 0.078 0.000 2.440 809 G HA2 -0.265 3.685 3.960 -0.016 0.000 0.218 809 G HA3 -0.265 3.685 3.960 -0.016 0.000 0.218 809 G C 1.308 176.161 174.900 -0.078 0.000 1.154 809 G CA 0.919 46.033 45.100 0.022 0.000 0.767 809 G HN 0.580 nan 8.290 nan 0.000 0.552 810 K N -0.211 120.028 120.400 -0.269 0.000 2.281 810 K HA -0.044 4.267 4.320 -0.016 0.000 0.203 810 K C 1.072 177.329 176.600 -0.572 0.000 1.046 810 K CA 0.704 56.679 56.287 -0.519 0.000 0.938 810 K CB -0.249 31.757 32.500 -0.823 0.000 0.737 810 K HN 0.433 nan 8.250 nan 0.000 0.458 811 F N 0.557 120.533 119.950 0.043 0.000 2.645 811 F HA 0.137 4.654 4.527 -0.017 0.000 0.300 811 F C 0.744 176.586 175.800 0.070 0.000 1.115 811 F CA -0.634 57.398 58.000 0.054 0.000 1.355 811 F CB 0.551 39.579 39.000 0.047 0.000 1.026 811 F HN -0.137 nan 8.300 nan 0.000 0.536 812 S N 0.217 115.999 115.700 0.136 0.000 2.548 812 S HA 0.082 4.542 4.470 -0.016 0.000 0.277 812 S C 1.429 176.106 174.600 0.129 0.000 1.315 812 S CA -0.213 58.062 58.200 0.125 0.000 1.050 812 S CB 0.863 64.104 63.200 0.068 0.000 0.918 812 S HN 0.345 nan 8.310 nan 0.000 0.497 813 S N 3.279 119.078 115.700 0.166 0.000 2.474 813 S HA -0.076 4.384 4.470 -0.016 0.000 0.235 813 S C 0.970 175.602 174.600 0.053 0.000 0.997 813 S CA 0.675 58.984 58.200 0.182 0.000 0.949 813 S CB -0.359 63.029 63.200 0.314 0.000 0.766 813 S HN 0.792 nan 8.310 nan 0.000 0.517 814 D N 1.870 122.294 120.400 0.040 0.000 2.144 814 D HA -0.089 4.541 4.640 -0.016 0.000 0.199 814 D C 2.095 178.388 176.300 -0.012 0.000 0.984 814 D CA 0.819 54.822 54.000 0.004 0.000 0.834 814 D CB -0.305 40.498 40.800 0.006 0.000 0.955 814 D HN 0.290 nan 8.370 nan 0.000 0.465 815 R N 0.801 121.298 120.500 -0.005 0.000 2.062 815 R HA -0.079 4.251 4.340 -0.016 0.000 0.231 815 R C 1.958 178.239 176.300 -0.031 0.000 1.136 815 R CA 1.426 57.510 56.100 -0.026 0.000 0.948 815 R CB -0.830 29.444 30.300 -0.044 0.000 0.845 815 R HN 0.121 nan 8.270 nan 0.000 0.430 816 T N 2.455 117.011 114.554 0.003 0.000 2.624 816 T HA -0.175 4.165 4.350 -0.016 0.000 0.268 816 T C 1.961 176.647 174.700 -0.023 0.000 1.041 816 T CA 1.635 63.752 62.100 0.027 0.000 1.159 816 T CB -0.202 68.748 68.868 0.135 0.000 0.863 816 T HN 0.105 nan 8.240 nan 0.000 0.434 817 I N 1.771 122.248 120.570 -0.154 0.000 2.226 817 I HA -0.110 4.050 4.170 -0.016 0.000 0.245 817 I C 2.998 179.067 176.117 -0.081 0.000 1.100 817 I CA 1.087 62.271 61.300 -0.193 0.000 1.374 817 I CB -1.748 36.123 38.000 -0.215 0.000 1.057 817 I HN 0.220 nan 8.210 nan 0.000 0.413 818 A N 0.254 123.042 122.820 -0.054 0.000 1.948 818 A HA -0.277 4.033 4.320 -0.016 0.000 0.220 818 A C 2.253 179.789 177.584 -0.079 0.000 1.177 818 A CA 1.851 53.864 52.037 -0.041 0.000 0.636 818 A CB -0.668 18.313 19.000 -0.032 0.000 0.815 818 A HN 0.560 nan 8.150 nan 0.000 0.449 819 Q N -2.057 117.676 119.800 -0.111 0.000 2.083 819 Q HA -0.147 4.184 4.340 -0.016 0.000 0.198 819 Q C 1.984 177.810 176.000 -0.290 0.000 0.969 819 Q CA 1.566 57.264 55.803 -0.176 0.000 0.838 819 Q CB -0.307 28.317 28.738 -0.190 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.761 120.783 120.300 -0.463 0.000 2.097 820 Y HA -0.308 4.233 4.550 -0.016 0.000 0.282 820 Y C 2.527 177.879 175.900 -0.914 0.000 1.152 820 Y CA 1.345 58.920 58.100 -0.875 0.000 1.136 820 Y CB -0.525 37.111 38.460 -1.373 0.000 0.975 820 Y HN 0.163 nan 8.280 nan 0.000 0.498 821 A N 0.230 122.825 122.820 -0.374 0.000 1.892 821 A HA -0.259 4.051 4.320 -0.016 0.000 0.218 821 A C 2.229 179.813 177.584 -0.000 0.000 1.188 821 A CA 2.249 54.291 52.037 0.009 0.000 0.631 821 A CB -0.586 18.500 19.000 0.145 0.000 0.822 821 A HN 0.464 nan 8.150 nan 0.000 0.447 822 R N -0.891 119.571 120.500 -0.062 0.000 2.080 822 R HA 0.004 4.335 4.340 -0.016 0.000 0.222 822 R C 1.777 178.049 176.300 -0.046 0.000 1.107 822 R CA 1.382 57.462 56.100 -0.033 0.000 0.980 822 R CB -0.138 30.140 30.300 -0.037 0.000 0.879 822 R HN 0.654 nan 8.270 nan 0.000 0.439 823 E N -0.463 119.671 120.200 -0.109 0.000 2.452 823 E HA 0.103 4.443 4.350 -0.016 0.000 0.197 823 E C 1.352 177.911 176.600 -0.069 0.000 1.022 823 E CA 0.388 56.734 56.400 -0.090 0.000 0.890 823 E CB 0.587 30.209 29.700 -0.130 0.000 0.918 823 E HN 0.301 nan 8.360 nan 0.000 0.496 824 I N -1.114 119.378 120.570 -0.130 0.000 3.739 824 I HA 0.032 4.192 4.170 -0.016 0.000 0.272 824 I C 1.401 177.648 176.117 0.216 0.000 1.167 824 I CA -0.022 61.255 61.300 -0.039 0.000 1.386 824 I CB 0.251 38.077 38.000 -0.291 0.000 1.490 824 I HN 0.112 nan 8.210 nan 0.000 0.452 825 W N 1.265 122.661 121.300 0.159 0.000 2.630 825 W HA 0.355 5.005 4.660 -0.016 0.000 0.271 825 W C 1.504 178.062 176.519 0.066 0.000 1.244 825 W CA 0.908 58.329 57.345 0.127 0.000 1.353 825 W CB -0.955 28.569 29.460 0.106 0.000 1.080 825 W HN 0.308 nan 8.180 nan 0.000 0.594 826 G N 1.004 109.948 108.800 0.239 0.000 2.204 826 G HA2 -0.117 3.833 3.960 -0.016 0.000 0.244 826 G HA3 -0.117 3.833 3.960 -0.016 0.000 0.244 826 G C -0.350 174.622 174.900 0.121 0.000 1.062 826 G CA 0.087 45.265 45.100 0.131 0.000 0.798 826 G HN 0.359 nan 8.290 nan 0.000 0.496 827 V N -3.803 116.204 119.914 0.156 0.000 2.769 827 V HA 0.898 5.008 4.120 -0.016 0.000 0.312 827 V C -0.128 176.025 176.094 0.097 0.000 1.061 827 V CA -1.663 60.707 62.300 0.117 0.000 0.931 827 V CB 2.293 34.194 31.823 0.130 0.000 1.010 827 V HN 0.128 nan 8.190 nan 0.000 0.433 828 E N 3.467 123.706 120.200 0.066 0.000 2.167 828 E HA 0.500 4.840 4.350 -0.016 0.000 0.284 828 E C -2.464 174.169 176.600 0.054 0.000 1.016 828 E CA -1.680 54.751 56.400 0.052 0.000 0.817 828 E CB 1.681 31.404 29.700 0.038 0.000 1.080 828 E HN 0.689 nan 8.360 nan 0.000 0.397 829 P HA 0.075 nan 4.420 nan 0.000 0.270 829 P C -0.664 176.658 177.300 0.038 0.000 1.223 829 P CA -0.204 62.924 63.100 0.046 0.000 0.785 829 P CB 0.698 32.419 31.700 0.035 0.000 0.923 830 S N 0.588 116.310 115.700 0.037 0.000 2.540 830 S HA 0.395 4.855 4.470 -0.016 0.000 0.275 830 S C 0.110 174.725 174.600 0.026 0.000 1.123 830 S CA -0.736 57.484 58.200 0.033 0.000 0.907 830 S CB 0.989 64.213 63.200 0.041 0.000 1.081 830 S HN 0.233 nan 8.310 nan 0.000 0.476 831 R N 2.080 122.593 120.500 0.021 0.000 2.468 831 R HA 0.240 4.570 4.340 -0.016 0.000 0.280 831 R C -0.157 176.148 176.300 0.010 0.000 0.963 831 R CA -0.011 56.100 56.100 0.018 0.000 1.083 831 R CB 0.283 30.595 30.300 0.020 0.000 1.200 831 R HN 0.671 nan 8.270 nan 0.000 0.541 832 Q N 0.943 120.747 119.800 0.008 0.000 2.288 832 Q HA 0.188 4.518 4.340 -0.016 0.000 0.254 832 Q C -0.191 175.796 176.000 -0.022 0.000 0.932 832 Q CA -0.281 55.521 55.803 -0.002 0.000 0.902 832 Q CB 1.365 30.108 28.738 0.008 0.000 1.203 832 Q HN -0.183 nan 8.270 nan 0.000 0.415 833 R N 1.172 121.654 120.500 -0.029 0.000 2.784 833 R HA 0.199 4.529 4.340 -0.016 0.000 0.266 833 R C -0.481 175.778 176.300 -0.067 0.000 1.044 833 R CA 0.334 56.405 56.100 -0.049 0.000 1.151 833 R CB 0.332 30.606 30.300 -0.043 0.000 1.037 833 R HN 0.477 nan 8.270 nan 0.000 0.478 834 L N 3.710 124.879 121.223 -0.091 0.000 2.331 834 L HA 0.484 4.814 4.340 -0.016 0.000 0.275 834 L C -1.974 174.856 176.870 -0.066 0.000 1.022 834 L CA -2.442 52.331 54.840 -0.111 0.000 0.812 834 L CB 1.795 43.746 42.059 -0.180 0.000 1.257 834 L HN 0.424 nan 8.230 nan 0.000 0.435 835 P HA 0.007 nan 4.420 nan 0.000 0.265 835 P C -0.485 176.801 177.300 -0.023 0.000 1.187 835 P CA 0.015 63.101 63.100 -0.022 0.000 0.766 835 P CB 0.561 32.257 31.700 -0.006 0.000 0.820 836 A N 0.000 122.810 122.820 -0.017 0.000 2.254 836 A HA 0.000 4.310 4.320 -0.016 0.000 0.244 836 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 836 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486