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 1nok_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 FNLKDFNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSKFGCRDP VRTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 TVMIGGKPAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAPDEKI P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.790 55.803 -0.021 0.000 1.022 12 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 13 I N -0.937 119.613 120.570 -0.033 0.000 2.556 13 I HA 0.352 4.513 4.170 -0.014 0.000 0.251 13 I C 0.788 176.894 176.117 -0.019 0.000 1.105 13 I CA 0.659 61.937 61.300 -0.038 0.000 1.436 13 I CB 0.460 38.428 38.000 -0.052 0.000 1.139 13 I HN 0.493 nan 8.210 nan 0.000 0.438 14 S N -1.352 114.342 115.700 -0.011 0.000 2.631 14 S HA 0.171 4.632 4.470 -0.014 0.000 0.267 14 S C -1.706 172.898 174.600 0.006 0.000 1.096 14 S CA -0.590 57.612 58.200 0.004 0.000 0.911 14 S CB 0.820 64.023 63.200 0.004 0.000 1.175 14 S HN -0.155 nan 8.310 nan 0.000 0.478 15 V N 3.662 123.587 119.914 0.018 0.000 2.192 15 V HA 0.546 4.658 4.120 -0.014 0.000 0.264 15 V C 0.047 176.151 176.094 0.016 0.000 1.155 15 V CA -0.297 62.013 62.300 0.017 0.000 1.005 15 V CB -0.158 31.683 31.823 0.029 0.000 1.201 15 V HN 0.663 nan 8.190 nan 0.000 0.468 16 R N 4.207 124.709 120.500 0.003 0.000 2.831 16 R HA 0.481 4.812 4.340 -0.014 0.000 0.337 16 R C 0.816 177.107 176.300 -0.015 0.000 1.200 16 R CA 0.346 56.445 56.100 -0.002 0.000 1.088 16 R CB 0.674 30.969 30.300 -0.008 0.000 1.397 16 R HN 0.843 nan 8.270 nan 0.000 0.581 17 G N 0.820 109.610 108.800 -0.016 0.000 2.760 17 G HA2 -0.231 3.720 3.960 -0.014 0.000 0.246 17 G HA3 -0.231 3.720 3.960 -0.014 0.000 0.246 17 G C -0.766 174.120 174.900 -0.024 0.000 1.359 17 G CA -1.049 44.034 45.100 -0.028 0.000 0.861 17 G HN 0.062 nan 8.290 nan 0.000 0.541 18 L N 0.307 121.514 121.223 -0.026 0.000 2.375 18 L HA 0.691 5.022 4.340 -0.014 0.000 0.271 18 L C 1.202 178.059 176.870 -0.022 0.000 1.107 18 L CA 0.157 54.985 54.840 -0.021 0.000 0.806 18 L CB 0.960 43.009 42.059 -0.016 0.000 1.146 18 L HN 1.540 nan 8.230 nan 0.000 0.447 19 A N 2.073 124.881 122.820 -0.021 0.000 2.969 19 A HA 0.594 4.906 4.320 -0.014 0.000 0.328 19 A C 0.688 178.266 177.584 -0.011 0.000 1.355 19 A CA -0.336 51.690 52.037 -0.019 0.000 1.018 19 A CB -0.430 18.555 19.000 -0.026 0.000 1.159 19 A HN 0.798 nan 8.150 nan 0.000 0.505 20 G N 0.189 108.985 108.800 -0.006 0.000 2.483 20 G HA2 0.370 4.321 3.960 -0.014 0.000 0.248 20 G HA3 0.370 4.321 3.960 -0.014 0.000 0.248 20 G C 1.032 175.936 174.900 0.007 0.000 1.248 20 G CA -0.052 45.048 45.100 0.001 0.000 0.838 20 G HN 0.408 nan 8.290 nan 0.000 0.566 21 V N 2.038 121.957 119.914 0.009 0.000 2.214 21 V HA -0.225 3.887 4.120 -0.014 0.000 0.247 21 V C 2.779 178.884 176.094 0.018 0.000 1.051 21 V CA 2.508 64.816 62.300 0.013 0.000 1.003 21 V CB -0.747 31.083 31.823 0.011 0.000 0.635 21 V HN 0.745 nan 8.190 nan 0.000 0.447 22 E N 0.040 120.253 120.200 0.021 0.000 2.171 22 E HA -0.208 4.133 4.350 -0.014 0.000 0.197 22 E C 1.975 178.598 176.600 0.039 0.000 0.997 22 E CA 1.661 58.078 56.400 0.028 0.000 0.810 22 E CB -0.391 29.326 29.700 0.027 0.000 0.738 22 E HN 0.667 nan 8.360 nan 0.000 0.467 23 N N -1.403 117.319 118.700 0.036 0.000 2.395 23 N HA -0.020 4.711 4.740 -0.014 0.000 0.175 23 N C 1.293 176.824 175.510 0.035 0.000 1.029 23 N CA 0.200 53.277 53.050 0.046 0.000 0.897 23 N CB 0.421 38.930 38.487 0.036 0.000 0.991 23 N HN -0.062 nan 8.380 nan 0.000 0.441 24 V N -0.187 119.741 119.914 0.022 0.000 2.427 24 V HA -0.166 3.946 4.120 -0.014 0.000 0.248 24 V C 1.939 178.051 176.094 0.029 0.000 1.051 24 V CA 1.627 63.938 62.300 0.017 0.000 1.048 24 V CB -0.524 31.306 31.823 0.011 0.000 0.666 24 V HN 0.371 nan 8.190 nan 0.000 0.456 25 T N -0.797 113.778 114.554 0.034 0.000 2.857 25 T HA -0.159 4.182 4.350 -0.014 0.000 0.266 25 T C 1.890 176.627 174.700 0.061 0.000 1.048 25 T CA 1.527 63.651 62.100 0.040 0.000 1.139 25 T CB -0.088 68.799 68.868 0.032 0.000 0.874 25 T HN 0.453 nan 8.240 nan 0.000 0.455 26 E N 1.022 121.265 120.200 0.073 0.000 2.038 26 E HA -0.100 4.241 4.350 -0.014 0.000 0.195 26 E C 1.925 178.608 176.600 0.139 0.000 1.000 26 E CA 0.996 57.459 56.400 0.104 0.000 0.803 26 E CB -0.511 29.264 29.700 0.124 0.000 0.750 26 E HN 0.172 nan 8.360 nan 0.000 0.448 27 L N 0.783 122.082 121.223 0.128 0.000 2.083 27 L HA -0.121 4.210 4.340 -0.014 0.000 0.209 27 L C 2.145 179.113 176.870 0.162 0.000 1.083 27 L CA 1.755 56.683 54.840 0.146 0.000 0.752 27 L CB -0.842 41.256 42.059 0.065 0.000 0.899 27 L HN 0.118 nan 8.230 nan 0.000 0.433 28 K N -0.713 119.747 120.400 0.100 0.000 2.097 28 K HA -0.136 4.176 4.320 -0.014 0.000 0.205 28 K C 2.073 178.773 176.600 0.167 0.000 1.050 28 K CA 0.883 57.228 56.287 0.097 0.000 0.938 28 K CB -0.020 32.494 32.500 0.023 0.000 0.718 28 K HN 0.238 nan 8.250 nan 0.000 0.442 29 K N 0.680 121.161 120.400 0.135 0.000 2.032 29 K HA -0.106 4.206 4.320 -0.014 0.000 0.209 29 K C 1.704 178.398 176.600 0.155 0.000 1.048 29 K CA 1.252 57.615 56.287 0.126 0.000 0.927 29 K CB -0.166 32.388 32.500 0.090 0.000 0.712 29 K HN 0.196 nan 8.250 nan 0.000 0.441 30 N N 0.308 119.120 118.700 0.185 0.000 2.396 30 N HA -0.128 4.604 4.740 -0.014 0.000 0.180 30 N C 1.637 177.328 175.510 0.302 0.000 1.028 30 N CA 0.758 53.924 53.050 0.193 0.000 0.893 30 N CB -0.115 38.529 38.487 0.261 0.000 0.967 30 N HN 0.125 nan 8.380 nan 0.000 0.440 31 F N 2.462 122.530 119.950 0.198 0.000 2.149 31 F HA 0.053 4.571 4.527 -0.014 0.000 0.294 31 F C 1.963 177.877 175.800 0.191 0.000 1.095 31 F CA 1.013 59.147 58.000 0.223 0.000 1.276 31 F CB -0.232 38.861 39.000 0.156 0.000 1.023 31 F HN -0.095 nan 8.300 nan 0.000 0.480 32 N N 0.617 119.557 118.700 0.400 0.000 2.166 32 N HA -0.162 4.569 4.740 -0.014 0.000 0.186 32 N C 2.100 177.698 175.510 0.147 0.000 1.019 32 N CA 0.739 53.936 53.050 0.246 0.000 0.856 32 N CB -0.491 38.121 38.487 0.209 0.000 0.993 32 N HN 0.307 nan 8.380 nan 0.000 0.426 33 R N 0.829 121.415 120.500 0.142 0.000 2.088 33 R HA -0.130 4.202 4.340 -0.014 0.000 0.232 33 R C 1.820 178.183 176.300 0.105 0.000 1.136 33 R CA 1.663 57.872 56.100 0.182 0.000 0.926 33 R CB -0.644 29.638 30.300 -0.030 0.000 0.837 33 R HN 0.419 nan 8.270 nan 0.000 0.429 34 H N -0.105 119.035 119.070 0.116 0.000 2.422 34 H HA -0.145 4.403 4.556 -0.014 0.000 0.298 34 H C 1.795 177.085 175.328 -0.064 0.000 1.098 34 H CA 1.512 57.564 56.048 0.006 0.000 1.315 34 H CB -0.035 29.697 29.762 -0.049 0.000 1.382 34 H HN 0.135 nan 8.280 nan 0.000 0.523 35 L N -0.396 120.825 121.223 -0.003 0.000 2.141 35 L HA -0.126 4.205 4.340 -0.014 0.000 0.209 35 L C 2.154 179.008 176.870 -0.026 0.000 1.094 35 L CA 1.625 56.427 54.840 -0.064 0.000 0.763 35 L CB -0.191 41.812 42.059 -0.093 0.000 0.908 35 L HN 0.281 nan 8.230 nan 0.000 0.437 36 H N -1.779 117.197 119.070 -0.157 0.000 2.300 36 H HA 0.017 4.565 4.556 -0.014 0.000 0.312 36 H C 1.764 176.847 175.328 -0.408 0.000 1.057 36 H CA 1.881 57.734 56.048 -0.326 0.000 1.380 36 H CB -0.275 29.207 29.762 -0.466 0.000 1.424 36 H HN 0.240 nan 8.280 nan 0.000 0.534 37 F N -0.042 119.887 119.950 -0.035 0.000 2.206 37 F HA -0.052 4.466 4.527 -0.014 0.000 0.298 37 F C 2.484 178.204 175.800 -0.134 0.000 1.090 37 F CA 1.573 59.498 58.000 -0.125 0.000 1.323 37 F CB -0.389 38.559 39.000 -0.086 0.000 1.028 37 F HN 0.204 nan 8.300 nan 0.000 0.492 38 T N -0.884 113.680 114.554 0.017 0.000 3.010 38 T HA 0.056 4.398 4.350 -0.014 0.000 0.252 38 T C 1.687 176.304 174.700 -0.138 0.000 1.047 38 T CA 0.601 62.650 62.100 -0.085 0.000 1.140 38 T CB -0.129 68.648 68.868 -0.150 0.000 0.885 38 T HN -0.015 nan 8.240 nan 0.000 0.464 39 L N 0.789 121.940 121.223 -0.120 0.000 2.513 39 L HA 0.312 4.644 4.340 -0.014 0.000 0.222 39 L C 0.485 177.270 176.870 -0.141 0.000 1.096 39 L CA 0.428 55.187 54.840 -0.135 0.000 0.857 39 L CB -0.020 41.974 42.059 -0.108 0.000 1.026 39 L HN -0.002 nan 8.230 nan 0.000 0.469 40 V N 0.190 120.004 119.914 -0.167 0.000 6.078 40 V HA -0.288 3.824 4.120 -0.014 0.000 0.301 40 V C 0.294 176.297 176.094 -0.152 0.000 0.571 40 V CA 0.802 62.976 62.300 -0.209 0.000 0.625 40 V CB -2.111 29.606 31.823 -0.177 0.000 0.271 40 V HN 0.338 nan 8.190 nan 0.000 0.788 41 K N 1.257 121.585 120.400 -0.121 0.000 2.433 41 K HA 0.687 4.998 4.320 -0.014 0.000 0.252 41 K C -0.393 176.190 176.600 -0.027 0.000 1.015 41 K CA -0.455 55.783 56.287 -0.082 0.000 0.860 41 K CB 2.820 35.258 32.500 -0.104 0.000 1.359 41 K HN 0.624 nan 8.250 nan 0.000 0.452 42 D N -0.282 120.111 120.400 -0.012 0.000 2.493 42 D HA 0.294 4.925 4.640 -0.014 0.000 0.239 42 D C 0.459 176.770 176.300 0.019 0.000 1.049 42 D CA -0.529 53.487 54.000 0.027 0.000 1.008 42 D CB 1.488 42.307 40.800 0.032 0.000 1.398 42 D HN 0.114 nan 8.370 nan 0.000 0.513 43 R N 0.428 120.966 120.500 0.063 0.000 2.139 43 R HA -0.071 4.260 4.340 -0.014 0.000 0.243 43 R C 1.356 177.714 176.300 0.097 0.000 1.145 43 R CA 0.905 57.081 56.100 0.126 0.000 0.976 43 R CB -0.816 29.572 30.300 0.147 0.000 0.866 43 R HN 0.579 nan 8.270 nan 0.000 0.449 44 N N 0.659 119.391 118.700 0.054 0.000 2.515 44 N HA -0.056 4.676 4.740 -0.014 0.000 0.185 44 N C 1.058 176.583 175.510 0.025 0.000 1.109 44 N CA 1.032 54.108 53.050 0.044 0.000 0.903 44 N CB 0.561 39.066 38.487 0.030 0.000 0.969 44 N HN 0.131 nan 8.380 nan 0.000 0.450 45 V N -3.275 116.637 119.914 -0.003 0.000 3.330 45 V HA 0.485 4.596 4.120 -0.014 0.000 0.309 45 V C 0.514 176.567 176.094 -0.068 0.000 1.481 45 V CA -0.636 61.651 62.300 -0.022 0.000 1.068 45 V CB 0.007 31.815 31.823 -0.025 0.000 0.935 45 V HN -0.010 nan 8.190 nan 0.000 0.453 46 A N 2.001 124.742 122.820 -0.133 0.000 2.366 46 A HA 0.677 4.989 4.320 -0.014 0.000 0.272 46 A C 0.718 178.124 177.584 -0.297 0.000 1.135 46 A CA 0.582 52.411 52.037 -0.346 0.000 0.804 46 A CB 0.134 18.711 19.000 -0.704 0.000 1.064 46 A HN 0.718 nan 8.150 nan 0.000 0.499 47 T N 0.559 114.993 114.554 -0.200 0.000 2.897 47 T HA 0.499 4.840 4.350 -0.014 0.000 0.278 47 T C -2.067 172.674 174.700 0.068 0.000 0.981 47 T CA -1.657 60.437 62.100 -0.011 0.000 0.973 47 T CB 0.845 69.732 68.868 0.030 0.000 1.092 47 T HN 0.251 nan 8.240 nan 0.000 0.543 48 P HA -0.066 nan 4.420 nan 0.000 0.217 48 P C 1.624 179.088 177.300 0.274 0.000 1.148 48 P CA 0.859 64.159 63.100 0.334 0.000 0.828 48 P CB 0.075 31.900 31.700 0.208 0.000 0.783 49 R N -0.135 120.476 120.500 0.184 0.000 2.092 49 R HA -0.125 4.206 4.340 -0.014 0.000 0.231 49 R C 1.482 178.007 176.300 0.374 0.000 1.119 49 R CA 1.658 57.907 56.100 0.248 0.000 0.970 49 R CB -0.507 29.895 30.300 0.170 0.000 0.864 49 R HN 0.113 nan 8.270 nan 0.000 0.440 50 D N -0.560 119.948 120.400 0.180 0.000 2.183 50 D HA -0.157 4.474 4.640 -0.014 0.000 0.203 50 D C 1.557 177.902 176.300 0.074 0.000 0.969 50 D CA 1.124 55.176 54.000 0.088 0.000 0.842 50 D CB -0.238 40.467 40.800 -0.157 0.000 0.957 50 D HN 0.287 nan 8.370 nan 0.000 0.484 51 Y N 0.104 120.500 120.300 0.159 0.000 2.200 51 Y HA -0.186 4.355 4.550 -0.014 0.000 0.290 51 Y C 2.316 178.315 175.900 0.165 0.000 1.137 51 Y CA 0.278 58.493 58.100 0.193 0.000 1.163 51 Y CB -1.003 37.645 38.460 0.312 0.000 0.988 51 Y HN 0.039 nan 8.280 nan 0.000 0.518 52 Y N -0.425 120.005 120.300 0.217 0.000 2.165 52 Y HA -0.287 4.254 4.550 -0.014 0.000 0.286 52 Y C 1.878 177.706 175.900 -0.120 0.000 1.155 52 Y CA 1.245 59.352 58.100 0.012 0.000 1.164 52 Y CB -1.059 37.309 38.460 -0.154 0.000 0.978 52 Y HN 0.046 nan 8.280 nan 0.000 0.513 53 F N 0.037 119.743 119.950 -0.407 0.000 2.234 53 F HA -0.050 4.469 4.527 -0.014 0.000 0.299 53 F C 2.619 178.256 175.800 -0.272 0.000 1.087 53 F CA 1.210 58.943 58.000 -0.444 0.000 1.340 53 F CB -1.077 37.837 39.000 -0.144 0.000 1.031 53 F HN 0.171 nan 8.300 nan 0.000 0.500 54 A N 0.037 122.790 122.820 -0.112 0.000 1.877 54 A HA -0.159 4.152 4.320 -0.014 0.000 0.216 54 A C 2.307 179.765 177.584 -0.209 0.000 1.186 54 A CA 1.387 53.246 52.037 -0.297 0.000 0.620 54 A CB -1.051 17.379 19.000 -0.949 0.000 0.822 54 A HN 0.383 nan 8.150 nan 0.000 0.443 55 L N -0.826 120.360 121.223 -0.061 0.000 1.994 55 L HA -0.206 4.125 4.340 -0.014 0.000 0.208 55 L C 3.085 179.908 176.870 -0.078 0.000 1.071 55 L CA 1.384 56.303 54.840 0.132 0.000 0.745 55 L CB -0.567 41.628 42.059 0.226 0.000 0.892 55 L HN 0.464 nan 8.230 nan 0.000 0.431 56 A N -0.775 121.821 122.820 -0.373 0.000 1.917 56 A HA -0.315 3.997 4.320 -0.014 0.000 0.219 56 A C 1.877 179.043 177.584 -0.696 0.000 1.182 56 A CA 2.142 53.822 52.037 -0.596 0.000 0.633 56 A CB -0.996 17.348 19.000 -1.093 0.000 0.819 56 A HN 0.578 nan 8.150 nan 0.000 0.448 57 H N -1.135 117.621 119.070 -0.522 0.000 2.395 57 H HA -0.031 4.517 4.556 -0.014 0.000 0.299 57 H C 2.332 177.325 175.328 -0.558 0.000 1.070 57 H CA 1.848 57.512 56.048 -0.640 0.000 1.356 57 H CB -0.029 29.186 29.762 -0.910 0.000 1.401 57 H HN 0.481 nan 8.280 nan 0.000 0.524 58 T N -0.395 114.044 114.554 -0.192 0.000 2.777 58 T HA -0.112 4.230 4.350 -0.014 0.000 0.266 58 T C 2.229 177.084 174.700 0.259 0.000 1.040 58 T CA 1.187 63.387 62.100 0.168 0.000 1.141 58 T CB -0.305 68.743 68.868 0.300 0.000 0.868 58 T HN 0.085 nan 8.240 nan 0.000 0.444 59 V N 1.648 121.663 119.914 0.168 0.000 2.379 59 V HA -0.098 4.014 4.120 -0.014 0.000 0.245 59 V C 2.687 178.957 176.094 0.292 0.000 1.044 59 V CA 1.409 63.839 62.300 0.216 0.000 1.036 59 V CB -0.596 31.364 31.823 0.227 0.000 0.664 59 V HN 0.356 nan 8.190 nan 0.000 0.453 60 R N 0.263 120.892 120.500 0.215 0.000 2.105 60 R HA -0.226 4.106 4.340 -0.014 0.000 0.239 60 R C 1.912 178.325 176.300 0.188 0.000 1.135 60 R CA 2.122 58.351 56.100 0.215 0.000 0.967 60 R CB -0.512 29.743 30.300 -0.075 0.000 0.861 60 R HN 0.491 nan 8.270 nan 0.000 0.442 61 D N -0.159 120.344 120.400 0.172 0.000 2.149 61 D HA -0.164 4.467 4.640 -0.014 0.000 0.198 61 D C 1.702 178.028 176.300 0.043 0.000 0.990 61 D CA 1.146 55.225 54.000 0.130 0.000 0.839 61 D CB -0.462 40.423 40.800 0.143 0.000 0.948 61 D HN 0.489 nan 8.370 nan 0.000 0.460 62 H N -0.144 118.993 119.070 0.112 0.000 2.545 62 H HA 0.017 4.565 4.556 -0.014 0.000 0.282 62 H C 1.884 177.262 175.328 0.082 0.000 1.020 62 H CA 0.562 56.662 56.048 0.087 0.000 1.243 62 H CB 0.396 30.200 29.762 0.071 0.000 1.377 62 H HN 0.271 nan 8.280 nan 0.000 0.581 63 L N -1.285 120.042 121.223 0.173 0.000 2.766 63 L HA 0.169 4.501 4.340 -0.014 0.000 0.242 63 L C 1.855 178.846 176.870 0.201 0.000 1.136 63 L CA 0.034 54.954 54.840 0.134 0.000 0.933 63 L CB -0.087 42.010 42.059 0.065 0.000 1.241 63 L HN -0.097 nan 8.230 nan 0.000 0.522 64 V N -2.296 117.754 119.914 0.227 0.000 2.548 64 V HA 0.107 4.218 4.120 -0.014 0.000 0.249 64 V C 2.493 178.704 176.094 0.194 0.000 1.055 64 V CA 1.463 63.947 62.300 0.307 0.000 1.065 64 V CB -1.551 30.410 31.823 0.230 0.000 0.681 64 V HN 0.350 nan 8.190 nan 0.000 0.462 65 G N 0.547 109.413 108.800 0.109 0.000 2.446 65 G HA2 -0.232 3.719 3.960 -0.014 0.000 0.217 65 G HA3 -0.232 3.719 3.960 -0.014 0.000 0.217 65 G C 1.803 176.747 174.900 0.073 0.000 1.168 65 G CA 1.013 46.150 45.100 0.061 0.000 0.771 65 G HN 0.501 nan 8.290 nan 0.000 0.551 66 R N -1.514 119.041 120.500 0.091 0.000 2.090 66 R HA -0.040 4.291 4.340 -0.014 0.000 0.228 66 R C 2.261 178.647 176.300 0.143 0.000 1.110 66 R CA 0.953 57.098 56.100 0.075 0.000 0.973 66 R CB -0.339 29.990 30.300 0.048 0.000 0.869 66 R HN 0.466 nan 8.270 nan 0.000 0.440 67 W N 1.608 122.890 121.300 -0.031 0.000 2.333 67 W HA -0.106 4.545 4.660 -0.014 0.000 0.316 67 W C 1.725 178.217 176.519 -0.044 0.000 1.215 67 W CA 0.989 58.312 57.345 -0.035 0.000 1.278 67 W CB -0.658 28.800 29.460 -0.003 0.000 1.154 67 W HN -0.027 nan 8.180 nan 0.000 0.486 68 I N 0.858 121.458 120.570 0.049 0.000 2.226 68 I HA -0.334 3.827 4.170 -0.014 0.000 0.245 68 I C 2.673 178.768 176.117 -0.037 0.000 1.100 68 I CA 2.031 63.284 61.300 -0.077 0.000 1.374 68 I CB -0.499 37.468 38.000 -0.056 0.000 1.057 68 I HN 0.013 nan 8.210 nan 0.000 0.413 69 R N -0.154 120.347 120.500 0.001 0.000 2.200 69 R HA 0.003 4.334 4.340 -0.014 0.000 0.208 69 R C 1.843 178.122 176.300 -0.035 0.000 1.033 69 R CA 1.200 57.300 56.100 -0.001 0.000 1.000 69 R CB -0.843 29.462 30.300 0.008 0.000 0.906 69 R HN 0.133 nan 8.270 nan 0.000 0.462 70 T N 1.430 115.938 114.554 -0.076 0.000 2.737 70 T HA -0.079 4.262 4.350 -0.014 0.000 0.265 70 T C 1.757 176.212 174.700 -0.407 0.000 1.038 70 T CA 1.116 63.059 62.100 -0.262 0.000 1.144 70 T CB -0.089 68.658 68.868 -0.203 0.000 0.866 70 T HN 0.189 nan 8.240 nan 0.000 0.434 71 Q N 1.063 120.755 119.800 -0.179 0.000 2.050 71 Q HA -0.128 4.204 4.340 -0.014 0.000 0.202 71 Q C 2.395 178.396 176.000 0.003 0.000 0.980 71 Q CA 1.548 57.304 55.803 -0.079 0.000 0.840 71 Q CB -0.694 28.021 28.738 -0.039 0.000 0.898 71 Q HN 0.510 nan 8.270 nan 0.000 0.424 72 Q N -0.010 119.798 119.800 0.013 0.000 2.226 72 Q HA -0.193 4.139 4.340 -0.014 0.000 0.204 72 Q C 1.823 177.910 176.000 0.145 0.000 0.975 72 Q CA 1.875 57.742 55.803 0.106 0.000 0.866 72 Q CB -0.315 28.459 28.738 0.060 0.000 0.915 72 Q HN 0.579 nan 8.270 nan 0.000 0.440 73 H N -1.158 117.895 119.070 -0.029 0.000 2.293 73 H HA -0.164 4.384 4.556 -0.014 0.000 0.300 73 H C 0.955 176.340 175.328 0.094 0.000 1.082 73 H CA 2.231 58.265 56.048 -0.024 0.000 1.308 73 H CB -0.215 29.467 29.762 -0.133 0.000 1.375 73 H HN 0.356 nan 8.280 nan 0.000 0.495 74 Y N -1.059 119.353 120.300 0.186 0.000 2.483 74 Y HA -0.167 4.374 4.550 -0.015 0.000 0.291 74 Y C 2.182 178.147 175.900 0.109 0.000 1.143 74 Y CA 0.807 58.990 58.100 0.139 0.000 1.289 74 Y CB -1.060 37.516 38.460 0.193 0.000 0.983 74 Y HN 0.409 nan 8.280 nan 0.000 0.556 75 Y N 1.050 121.432 120.300 0.137 0.000 2.176 75 Y HA -0.074 4.467 4.550 -0.014 0.000 0.291 75 Y C 2.104 178.009 175.900 0.008 0.000 1.122 75 Y CA 1.417 59.561 58.100 0.073 0.000 1.128 75 Y CB -0.143 38.345 38.460 0.047 0.000 1.005 75 Y HN -0.073 nan 8.280 nan 0.000 0.509 76 E N 0.371 120.430 120.200 -0.235 0.000 2.077 76 E HA -0.156 4.185 4.350 -0.014 0.000 0.193 76 E C 1.840 178.280 176.600 -0.267 0.000 0.989 76 E CA 1.225 57.439 56.400 -0.309 0.000 0.800 76 E CB -0.096 29.494 29.700 -0.183 0.000 0.746 76 E HN 0.339 nan 8.360 nan 0.000 0.452 77 K N 0.528 120.787 120.400 -0.235 0.000 2.356 77 K HA -0.019 4.292 4.320 -0.014 0.000 0.195 77 K C 0.015 176.572 176.600 -0.073 0.000 1.037 77 K CA 0.167 56.359 56.287 -0.159 0.000 1.014 77 K CB -0.207 32.182 32.500 -0.185 0.000 0.815 77 K HN -0.000 nan 8.250 nan 0.000 0.507 78 D N 1.279 121.657 120.400 -0.037 0.000 2.803 78 D HA -0.116 4.515 4.640 -0.014 0.000 0.233 78 D C -2.208 174.113 176.300 0.035 0.000 1.182 78 D CA 0.140 54.149 54.000 0.015 0.000 0.726 78 D CB -0.235 40.546 40.800 -0.031 0.000 0.987 78 D HN 0.192 nan 8.370 nan 0.000 0.412 79 P HA 0.068 nan 4.420 nan 0.000 0.274 79 P C -0.021 177.272 177.300 -0.011 0.000 1.256 79 P CA -0.588 62.514 63.100 0.004 0.000 0.795 79 P CB 0.631 32.318 31.700 -0.022 0.000 1.038 80 K N 1.391 121.780 120.400 -0.018 0.000 2.451 80 K HA 0.024 4.335 4.320 -0.014 0.000 0.280 80 K C -0.174 176.351 176.600 -0.126 0.000 1.020 80 K CA 0.011 56.272 56.287 -0.043 0.000 1.008 80 K CB 0.232 32.719 32.500 -0.021 0.000 0.917 80 K HN 0.268 nan 8.250 nan 0.000 0.478 81 R N 3.737 124.138 120.500 -0.164 0.000 2.407 81 R HA 0.408 4.739 4.340 -0.014 0.000 0.303 81 R C -0.748 175.255 176.300 -0.495 0.000 0.981 81 R CA -0.351 55.565 56.100 -0.308 0.000 0.905 81 R CB 0.966 31.083 30.300 -0.306 0.000 1.099 81 R HN 0.544 nan 8.270 nan 0.000 0.459 82 I N 3.989 124.214 120.570 -0.574 0.000 2.362 82 I HA 0.260 4.421 4.170 -0.014 0.000 0.289 82 I C -0.840 174.958 176.117 -0.531 0.000 0.994 82 I CA -0.627 60.291 61.300 -0.636 0.000 1.158 82 I CB 0.978 38.477 38.000 -0.835 0.000 1.315 82 I HN 0.467 nan 8.210 nan 0.000 0.451 83 Y N 6.266 126.558 120.300 -0.013 0.000 2.385 83 Y HA 0.267 4.809 4.550 -0.014 0.000 0.341 83 Y C -0.501 175.519 175.900 0.200 0.000 0.965 83 Y CA -0.674 57.534 58.100 0.180 0.000 1.180 83 Y CB 0.544 39.059 38.460 0.091 0.000 1.139 83 Y HN 0.390 nan 8.280 nan 0.000 0.502 84 Y N 4.582 125.069 120.300 0.312 0.000 2.434 84 Y HA 0.480 5.021 4.550 -0.014 0.000 0.341 84 Y C -1.276 174.901 175.900 0.461 0.000 0.965 84 Y CA -1.125 57.167 58.100 0.319 0.000 1.205 84 Y CB 0.309 38.948 38.460 0.298 0.000 1.121 84 Y HN 0.510 nan 8.280 nan 0.000 0.507 85 L N 5.153 126.400 121.223 0.040 0.000 2.260 85 L HA 0.455 4.787 4.340 -0.014 0.000 0.289 85 L C -0.187 176.665 176.870 -0.030 0.000 1.057 85 L CA 0.193 55.114 54.840 0.135 0.000 0.811 85 L CB 1.176 43.296 42.059 0.101 0.000 1.184 85 L HN 0.585 nan 8.230 nan 0.000 0.429 86 S N 2.633 118.396 115.700 0.104 0.000 2.540 86 S HA 0.505 4.966 4.470 -0.014 0.000 0.275 86 S C 0.269 174.941 174.600 0.120 0.000 1.123 86 S CA -0.546 57.612 58.200 -0.071 0.000 0.907 86 S CB 1.064 63.955 63.200 -0.515 0.000 1.081 86 S HN 0.465 nan 8.310 nan 0.000 0.476 87 L N 2.926 124.259 121.223 0.183 0.000 2.599 87 L HA 0.438 4.769 4.340 -0.014 0.000 0.230 87 L C 0.294 177.333 176.870 0.281 0.000 1.141 87 L CA 0.946 55.951 54.840 0.276 0.000 0.877 87 L CB -0.244 41.991 42.059 0.292 0.000 1.009 87 L HN 0.645 nan 8.230 nan 0.000 0.447 88 E N -1.336 118.907 120.200 0.072 0.000 2.308 88 E HA 0.428 4.769 4.350 -0.014 0.000 0.275 88 E C -1.441 175.034 176.600 -0.209 0.000 0.890 88 E CA -0.488 55.949 56.400 0.063 0.000 0.754 88 E CB 2.005 31.725 29.700 0.033 0.000 1.207 88 E HN -0.197 nan 8.360 nan 0.000 0.426 89 F N 2.053 122.100 119.950 0.161 0.000 2.612 89 F HA 0.222 4.740 4.527 -0.015 0.000 0.332 89 F C -1.027 174.855 175.800 0.137 0.000 1.167 89 F CA -0.707 57.384 58.000 0.152 0.000 0.970 89 F CB 1.175 40.259 39.000 0.140 0.000 1.234 89 F HN 0.446 nan 8.300 nan 0.000 0.453 90 Y N 5.616 126.003 120.300 0.144 0.000 2.931 90 Y HA 0.297 4.838 4.550 -0.014 0.000 0.330 90 Y C 0.757 176.684 175.900 0.044 0.000 1.115 90 Y CA -1.451 56.681 58.100 0.052 0.000 1.283 90 Y CB 0.542 39.014 38.460 0.019 0.000 1.215 90 Y HN 0.549 nan 8.280 nan 0.000 0.534 91 M N 1.682 121.436 119.600 0.257 0.000 2.254 91 M HA 0.103 4.574 4.480 -0.014 0.000 0.265 91 M C 1.515 177.813 176.300 -0.004 0.000 1.066 91 M CA 1.167 56.522 55.300 0.091 0.000 1.123 91 M CB -1.337 31.290 32.600 0.045 0.000 1.388 91 M HN 0.704 nan 8.290 nan 0.000 0.425 92 G N 1.078 109.902 108.800 0.041 0.000 2.598 92 G HA2 -0.274 3.677 3.960 -0.014 0.000 0.244 92 G HA3 -0.274 3.677 3.960 -0.014 0.000 0.244 92 G C -0.383 174.489 174.900 -0.047 0.000 1.302 92 G CA -0.306 44.766 45.100 -0.047 0.000 0.903 92 G HN 0.463 nan 8.290 nan 0.000 0.575 93 R N -0.597 119.852 120.500 -0.085 0.000 2.582 93 R HA 0.553 4.885 4.340 -0.014 0.000 0.271 93 R C 1.423 177.615 176.300 -0.180 0.000 1.078 93 R CA 0.364 56.421 56.100 -0.071 0.000 1.127 93 R CB 0.936 31.194 30.300 -0.070 0.000 1.038 93 R HN 0.819 nan 8.270 nan 0.000 0.500 94 T N 0.563 114.951 114.554 -0.277 0.000 3.043 94 T HA 0.042 4.383 4.350 -0.014 0.000 0.272 94 T C 1.180 175.469 174.700 -0.685 0.000 0.990 94 T CA -0.222 61.519 62.100 -0.598 0.000 0.897 94 T CB 0.207 68.491 68.868 -0.974 0.000 1.111 94 T HN 0.357 nan 8.240 nan 0.000 0.529 95 L N 1.577 122.659 121.223 -0.234 0.000 2.005 95 L HA 0.204 4.535 4.340 -0.014 0.000 0.207 95 L C 2.547 179.374 176.870 -0.070 0.000 1.072 95 L CA 2.063 56.910 54.840 0.013 0.000 0.744 95 L CB -0.825 41.439 42.059 0.342 0.000 0.895 95 L HN 0.345 nan 8.230 nan 0.000 0.433 96 Q N -0.733 119.024 119.800 -0.072 0.000 2.046 96 Q HA -0.229 4.102 4.340 -0.014 0.000 0.200 96 Q C 2.231 178.160 176.000 -0.118 0.000 0.975 96 Q CA 1.701 57.460 55.803 -0.073 0.000 0.836 96 Q CB -0.254 28.439 28.738 -0.076 0.000 0.896 96 Q HN 0.667 nan 8.270 nan 0.000 0.428 97 N N -0.897 117.695 118.700 -0.180 0.000 2.104 97 N HA -0.157 4.574 4.740 -0.014 0.000 0.190 97 N C 1.425 176.829 175.510 -0.176 0.000 1.024 97 N CA 1.860 54.794 53.050 -0.193 0.000 0.853 97 N CB 0.055 38.392 38.487 -0.249 0.000 1.008 97 N HN 0.217 nan 8.380 nan 0.000 0.424 98 T N 1.271 115.681 114.554 -0.241 0.000 2.821 98 T HA -0.049 4.293 4.350 -0.014 0.000 0.267 98 T C 2.035 176.673 174.700 -0.103 0.000 1.046 98 T CA 0.986 62.961 62.100 -0.207 0.000 1.139 98 T CB -0.056 68.617 68.868 -0.325 0.000 0.871 98 T HN 0.280 nan 8.240 nan 0.000 0.454 99 M N 0.537 120.092 119.600 -0.075 0.000 2.159 99 M HA -0.077 4.394 4.480 -0.014 0.000 0.263 99 M C 2.425 178.697 176.300 -0.046 0.000 1.063 99 M CA 1.159 56.432 55.300 -0.046 0.000 1.110 99 M CB -0.584 32.000 32.600 -0.026 0.000 1.374 99 M HN 0.112 nan 8.290 nan 0.000 0.411 100 V N 0.882 120.774 119.914 -0.038 0.000 2.295 100 V HA -0.253 3.858 4.120 -0.014 0.000 0.246 100 V C 1.791 177.898 176.094 0.021 0.000 1.049 100 V CA 1.823 64.130 62.300 0.013 0.000 1.024 100 V CB -0.789 31.049 31.823 0.024 0.000 0.648 100 V HN 0.464 nan 8.190 nan 0.000 0.447 101 N N -0.245 118.456 118.700 0.003 0.000 2.459 101 N HA -0.041 4.690 4.740 -0.014 0.000 0.181 101 N C 1.039 176.459 175.510 -0.150 0.000 1.046 101 N CA 0.765 53.796 53.050 -0.032 0.000 0.904 101 N CB -0.047 38.433 38.487 -0.010 0.000 0.964 101 N HN 0.287 nan 8.380 nan 0.000 0.444 102 L N -0.479 120.677 121.223 -0.111 0.000 2.693 102 L HA 0.408 4.740 4.340 -0.014 0.000 0.235 102 L C 0.751 177.557 176.870 -0.106 0.000 1.127 102 L CA -0.249 54.534 54.840 -0.095 0.000 0.914 102 L CB -0.631 41.407 42.059 -0.036 0.000 1.193 102 L HN 0.078 nan 8.230 nan 0.000 0.502 103 A N -0.614 122.130 122.820 -0.126 0.000 2.872 103 A HA -0.224 4.088 4.320 -0.014 0.000 0.273 103 A C 1.203 178.744 177.584 -0.073 0.000 1.442 103 A CA 0.958 52.931 52.037 -0.107 0.000 0.801 103 A CB -2.001 16.921 19.000 -0.130 0.000 1.031 103 A HN 0.210 nan 8.150 nan 0.000 0.582 104 L N -0.453 120.728 121.223 -0.069 0.000 2.567 104 L HA 0.197 4.528 4.340 -0.014 0.000 0.225 104 L C 1.940 178.777 176.870 -0.055 0.000 1.119 104 L CA 1.788 56.582 54.840 -0.076 0.000 0.871 104 L CB -0.478 41.519 42.059 -0.103 0.000 1.036 104 L HN 0.646 nan 8.230 nan 0.000 0.459 105 E N -0.431 119.745 120.200 -0.040 0.000 2.110 105 E HA -0.210 4.132 4.350 -0.014 0.000 0.193 105 E C 1.530 178.114 176.600 -0.026 0.000 0.988 105 E CA 1.031 57.415 56.400 -0.027 0.000 0.804 105 E CB 0.298 29.986 29.700 -0.021 0.000 0.745 105 E HN 0.416 nan 8.360 nan 0.000 0.458 106 N N -0.045 118.637 118.700 -0.030 0.000 2.300 106 N HA -0.042 4.689 4.740 -0.014 0.000 0.179 106 N C 1.491 176.981 175.510 -0.034 0.000 1.016 106 N CA 1.028 54.058 53.050 -0.033 0.000 0.876 106 N CB -0.181 38.286 38.487 -0.033 0.000 0.979 106 N HN 0.180 nan 8.380 nan 0.000 0.432 107 A N 0.394 123.194 122.820 -0.034 0.000 1.877 107 A HA -0.136 4.176 4.320 -0.014 0.000 0.216 107 A C 2.553 180.119 177.584 -0.029 0.000 1.186 107 A CA 1.260 53.278 52.037 -0.031 0.000 0.620 107 A CB -0.983 17.993 19.000 -0.039 0.000 0.822 107 A HN 0.424 nan 8.150 nan 0.000 0.443 108 C N -0.693 118.588 119.300 -0.032 0.000 2.432 108 C HA -0.051 4.401 4.460 -0.014 0.000 0.280 108 C C 2.387 177.371 174.990 -0.010 0.000 1.353 108 C CA 0.958 59.966 59.018 -0.017 0.000 1.766 108 C CB -1.087 26.654 27.740 0.000 0.000 1.924 108 C HN 0.623 nan 8.230 nan 0.000 0.509 109 D N 0.595 120.987 120.400 -0.012 0.000 2.123 109 D HA -0.107 4.524 4.640 -0.014 0.000 0.200 109 D C 2.197 178.500 176.300 0.005 0.000 0.976 109 D CA 1.242 55.237 54.000 -0.008 0.000 0.831 109 D CB -0.155 40.627 40.800 -0.031 0.000 0.974 109 D HN 0.426 nan 8.370 nan 0.000 0.469 110 E N 0.690 120.884 120.200 -0.010 0.000 2.046 110 E HA -0.031 4.310 4.350 -0.014 0.000 0.190 110 E C 1.885 178.522 176.600 0.061 0.000 0.982 110 E CA 1.500 57.913 56.400 0.021 0.000 0.800 110 E CB -0.525 29.171 29.700 -0.007 0.000 0.756 110 E HN 0.157 nan 8.360 nan 0.000 0.449 111 A N -0.023 122.799 122.820 0.004 0.000 1.892 111 A HA -0.238 4.074 4.320 -0.014 0.000 0.218 111 A C 2.506 180.021 177.584 -0.115 0.000 1.188 111 A CA 3.156 55.169 52.037 -0.039 0.000 0.631 111 A CB -1.539 17.438 19.000 -0.039 0.000 0.822 111 A HN 0.517 nan 8.150 nan 0.000 0.447 112 T N -3.910 110.566 114.554 -0.130 0.000 2.904 112 T HA -0.187 4.155 4.350 -0.014 0.000 0.267 112 T C 1.810 176.433 174.700 -0.129 0.000 1.059 112 T CA 1.471 63.432 62.100 -0.232 0.000 1.137 112 T CB -0.556 68.214 68.868 -0.164 0.000 0.879 112 T HN 0.464 nan 8.240 nan 0.000 0.467 113 Y N 2.065 122.283 120.300 -0.136 0.000 2.097 113 Y HA -0.135 4.407 4.550 -0.013 0.000 0.282 113 Y C 2.708 178.544 175.900 -0.107 0.000 1.152 113 Y CA 1.724 59.763 58.100 -0.102 0.000 1.136 113 Y CB -0.551 37.868 38.460 -0.068 0.000 0.975 113 Y HN 0.220 nan 8.280 nan 0.000 0.498 114 Q N -0.887 118.878 119.800 -0.058 0.000 2.170 114 Q HA -0.160 4.171 4.340 -0.014 0.000 0.203 114 Q C 1.749 177.637 176.000 -0.187 0.000 0.976 114 Q CA 1.128 56.852 55.803 -0.131 0.000 0.858 114 Q CB -0.141 28.581 28.738 -0.025 0.000 0.907 114 Q HN 0.364 nan 8.270 nan 0.000 0.433 115 L N -0.974 120.117 121.223 -0.220 0.000 2.552 115 L HA 0.059 4.390 4.340 -0.014 0.000 0.227 115 L C 1.278 177.991 176.870 -0.263 0.000 1.146 115 L CA 1.551 56.237 54.840 -0.257 0.000 0.858 115 L CB -0.645 41.149 42.059 -0.442 0.000 0.969 115 L HN 0.370 nan 8.230 nan 0.000 0.451 116 G N -0.577 108.053 108.800 -0.284 0.000 2.137 116 G HA2 -0.247 3.704 3.960 -0.014 0.000 0.237 116 G HA3 -0.247 3.704 3.960 -0.014 0.000 0.237 116 G C 0.124 174.883 174.900 -0.236 0.000 1.002 116 G CA 0.294 45.229 45.100 -0.275 0.000 0.702 116 G HN 0.301 nan 8.290 nan 0.000 0.515 117 L N -0.281 120.803 121.223 -0.231 0.000 2.322 117 L HA 0.676 5.007 4.340 -0.014 0.000 0.269 117 L C -0.272 176.557 176.870 -0.067 0.000 1.012 117 L CA -1.202 53.529 54.840 -0.181 0.000 0.815 117 L CB 1.557 43.461 42.059 -0.258 0.000 1.295 117 L HN 0.051 nan 8.230 nan 0.000 0.438 118 D N 1.281 121.670 120.400 -0.018 0.000 2.317 118 D HA 0.254 4.886 4.640 -0.014 0.000 0.234 118 D C 0.752 177.074 176.300 0.038 0.000 1.112 118 D CA -0.261 53.756 54.000 0.029 0.000 0.840 118 D CB 1.466 42.288 40.800 0.035 0.000 1.078 118 D HN 0.435 nan 8.370 nan 0.000 0.486 119 M N 2.096 121.721 119.600 0.043 0.000 2.108 119 M HA -0.160 4.312 4.480 -0.014 0.000 0.261 119 M C 1.579 177.914 176.300 0.059 0.000 1.066 119 M CA 1.390 56.724 55.300 0.057 0.000 1.107 119 M CB -0.084 32.544 32.600 0.047 0.000 1.356 119 M HN 0.546 nan 8.290 nan 0.000 0.406 120 E N 0.023 120.249 120.200 0.044 0.000 2.085 120 E HA -0.251 4.090 4.350 -0.014 0.000 0.194 120 E C 1.878 178.502 176.600 0.039 0.000 0.994 120 E CA 1.366 57.788 56.400 0.037 0.000 0.801 120 E CB -0.136 29.584 29.700 0.034 0.000 0.743 120 E HN 0.532 nan 8.360 nan 0.000 0.453 121 E N 0.259 120.485 120.200 0.044 0.000 2.051 121 E HA -0.213 4.129 4.350 -0.014 0.000 0.192 121 E C 1.988 178.618 176.600 0.051 0.000 0.991 121 E CA 0.782 57.208 56.400 0.043 0.000 0.799 121 E CB 0.132 29.859 29.700 0.045 0.000 0.748 121 E HN 0.057 nan 8.360 nan 0.000 0.449 122 L N 1.184 122.460 121.223 0.088 0.000 2.093 122 L HA -0.122 4.209 4.340 -0.014 0.000 0.208 122 L C 2.087 179.001 176.870 0.074 0.000 1.085 122 L CA 1.601 56.524 54.840 0.138 0.000 0.755 122 L CB -0.661 41.538 42.059 0.233 0.000 0.904 122 L HN 0.134 nan 8.230 nan 0.000 0.435 123 E N -0.611 119.623 120.200 0.057 0.000 2.153 123 E HA -0.186 4.156 4.350 -0.014 0.000 0.194 123 E C 1.780 178.335 176.600 -0.075 0.000 0.988 123 E CA 0.687 57.091 56.400 0.007 0.000 0.811 123 E CB 0.055 29.767 29.700 0.020 0.000 0.746 123 E HN 0.370 nan 8.360 nan 0.000 0.466 124 E N 0.170 120.339 120.200 -0.052 0.000 2.418 124 E HA -0.086 4.255 4.350 -0.014 0.000 0.197 124 E C 1.684 178.204 176.600 -0.134 0.000 1.026 124 E CA 0.495 56.859 56.400 -0.061 0.000 0.862 124 E CB 0.085 29.778 29.700 -0.010 0.000 0.799 124 E HN 0.414 nan 8.360 nan 0.000 0.518 125 I N 0.651 121.078 120.570 -0.238 0.000 3.059 125 I HA -0.071 4.090 4.170 -0.014 0.000 0.270 125 I C 1.220 177.004 176.117 -0.554 0.000 1.238 125 I CA 0.097 61.190 61.300 -0.344 0.000 1.478 125 I CB 0.166 37.989 38.000 -0.294 0.000 1.097 125 I HN -0.030 nan 8.210 nan 0.000 0.455 126 E N 2.336 122.111 120.200 -0.707 0.000 2.360 126 E HA -0.027 4.314 4.350 -0.014 0.000 0.269 126 E C -0.071 176.421 176.600 -0.181 0.000 1.022 126 E CA -0.232 55.806 56.400 -0.603 0.000 0.887 126 E CB 0.701 30.129 29.700 -0.453 0.000 0.990 126 E HN 0.059 nan 8.360 nan 0.000 0.426 127 E N 2.984 123.167 120.200 -0.029 0.000 2.331 127 E HA 0.075 4.416 4.350 -0.014 0.000 0.272 127 E C -1.151 175.542 176.600 0.155 0.000 1.036 127 E CA -0.439 56.025 56.400 0.107 0.000 0.864 127 E CB 0.722 30.559 29.700 0.229 0.000 1.035 127 E HN 0.364 nan 8.360 nan 0.000 0.408 128 D N 2.195 122.670 120.400 0.124 0.000 2.458 128 D HA 0.146 4.778 4.640 -0.014 0.000 0.243 128 D C -0.705 175.675 176.300 0.132 0.000 1.146 128 D CA 0.303 54.369 54.000 0.110 0.000 0.877 128 D CB 0.763 41.621 40.800 0.096 0.000 1.176 128 D HN 0.459 nan 8.370 nan 0.000 0.461 129 A N 2.532 125.406 122.820 0.090 0.000 2.475 129 A HA 0.447 4.759 4.320 -0.014 0.000 0.293 129 A C 1.145 178.610 177.584 -0.199 0.000 1.252 129 A CA -0.167 51.762 52.037 -0.181 0.000 0.920 129 A CB -0.148 18.802 19.000 -0.084 0.000 1.125 129 A HN 0.546 nan 8.150 nan 0.000 0.528 130 G N 2.366 110.939 108.800 -0.378 0.000 3.882 130 G HA2 0.405 4.356 3.960 -0.014 0.000 0.283 130 G HA3 0.405 4.356 3.960 -0.014 0.000 0.283 130 G C 0.372 174.917 174.900 -0.591 0.000 1.283 130 G CA -0.318 44.542 45.100 -0.400 0.000 1.402 130 G HN 0.704 nan 8.290 nan 0.000 0.618 131 L N 1.188 122.138 121.223 -0.455 0.000 2.777 131 L HA 0.320 4.651 4.340 -0.014 0.000 0.244 131 L C 1.101 177.843 176.870 -0.212 0.000 1.235 131 L CA -0.126 54.568 54.840 -0.243 0.000 1.062 131 L CB -0.322 41.740 42.059 0.005 0.000 1.340 131 L HN 0.298 nan 8.230 nan 0.000 0.439 132 G N -1.418 107.029 108.800 -0.589 0.000 2.695 132 G HA2 0.226 4.177 3.960 -0.014 0.000 0.290 132 G HA3 0.226 4.177 3.960 -0.014 0.000 0.290 132 G C -0.005 174.568 174.900 -0.545 0.000 1.410 132 G CA -0.448 44.394 45.100 -0.430 0.000 0.844 132 G HN -0.107 nan 8.290 nan 0.000 0.478 133 N N -0.715 117.870 118.700 -0.191 0.000 2.387 133 N HA 0.177 4.908 4.740 -0.014 0.000 0.176 133 N C 1.231 176.799 175.510 0.096 0.000 1.022 133 N CA 1.333 54.338 53.050 -0.074 0.000 0.883 133 N CB 1.171 39.677 38.487 0.032 0.000 1.019 133 N HN 0.824 nan 8.380 nan 0.000 0.435 134 G N -0.479 108.446 108.800 0.209 0.000 2.528 134 G HA2 0.050 4.002 3.960 -0.014 0.000 0.078 134 G HA3 0.050 4.002 3.960 -0.014 0.000 0.078 134 G C 0.842 175.861 174.900 0.198 0.000 1.008 134 G CA 0.223 45.490 45.100 0.279 0.000 1.309 134 G HN 0.191 nan 8.290 nan 0.000 0.564 135 G N 0.563 109.436 108.800 0.122 0.000 2.476 135 G HA2 -0.036 3.916 3.960 -0.014 0.000 0.218 135 G HA3 -0.036 3.916 3.960 -0.014 0.000 0.218 135 G C 1.888 176.795 174.900 0.012 0.000 1.164 135 G CA 2.015 47.151 45.100 0.059 0.000 0.768 135 G HN 0.910 nan 8.290 nan 0.000 0.560 136 L N 1.282 122.494 121.223 -0.018 0.000 2.005 136 L HA 0.191 4.522 4.340 -0.014 0.000 0.207 136 L C 2.872 179.695 176.870 -0.078 0.000 1.072 136 L CA 2.541 57.300 54.840 -0.136 0.000 0.744 136 L CB -1.028 40.930 42.059 -0.168 0.000 0.895 136 L HN 0.166 nan 8.230 nan 0.000 0.433 137 G N -0.884 107.927 108.800 0.018 0.000 2.440 137 G HA2 -0.268 3.683 3.960 -0.014 0.000 0.218 137 G HA3 -0.268 3.683 3.960 -0.014 0.000 0.218 137 G C 1.802 176.781 174.900 0.130 0.000 1.154 137 G CA 0.541 45.677 45.100 0.060 0.000 0.767 137 G HN 0.236 nan 8.290 nan 0.000 0.552 138 R N -0.214 120.383 120.500 0.161 0.000 2.119 138 R HA 0.127 4.458 4.340 -0.014 0.000 0.222 138 R C 2.501 178.822 176.300 0.034 0.000 1.088 138 R CA 0.613 56.786 56.100 0.122 0.000 0.984 138 R CB -0.796 29.544 30.300 0.067 0.000 0.884 138 R HN 0.416 nan 8.270 nan 0.000 0.447 139 L N 0.801 121.978 121.223 -0.076 0.000 2.079 139 L HA -0.098 4.234 4.340 -0.014 0.000 0.210 139 L C 2.166 178.770 176.870 -0.443 0.000 1.081 139 L CA 2.140 56.806 54.840 -0.291 0.000 0.752 139 L CB -0.608 41.247 42.059 -0.340 0.000 0.896 139 L HN 0.144 nan 8.230 nan 0.000 0.433 140 A N -0.658 122.035 122.820 -0.213 0.000 1.898 140 A HA -0.068 4.243 4.320 -0.014 0.000 0.216 140 A C 2.425 180.118 177.584 0.182 0.000 1.181 140 A CA 1.593 53.606 52.037 -0.040 0.000 0.620 140 A CB -1.090 17.812 19.000 -0.163 0.000 0.819 140 A HN 0.547 nan 8.150 nan 0.000 0.442 141 A N -1.340 121.606 122.820 0.209 0.000 1.969 141 A HA -0.111 4.200 4.320 -0.014 0.000 0.218 141 A C 2.224 179.896 177.584 0.148 0.000 1.169 141 A CA 1.589 53.755 52.037 0.215 0.000 0.635 141 A CB -1.025 18.084 19.000 0.182 0.000 0.810 141 A HN 0.582 nan 8.150 nan 0.000 0.445 142 C N -1.805 117.584 119.300 0.148 0.000 2.486 142 C HA 0.061 4.513 4.460 -0.014 0.000 0.279 142 C C 2.342 177.502 174.990 0.284 0.000 1.302 142 C CA 0.261 59.401 59.018 0.204 0.000 1.720 142 C CB -1.464 26.422 27.740 0.243 0.000 2.030 142 C HN 0.615 nan 8.230 nan 0.000 0.490 143 F N 1.020 120.964 119.950 -0.010 0.000 2.069 143 F HA -0.126 4.393 4.527 -0.015 0.000 0.298 143 F C 2.124 177.862 175.800 -0.103 0.000 1.113 143 F CA 1.275 59.208 58.000 -0.112 0.000 1.214 143 F CB -1.459 37.337 39.000 -0.341 0.000 0.978 143 F HN 0.075 nan 8.300 nan 0.000 0.474 144 L N 0.277 121.581 121.223 0.134 0.000 2.042 144 L HA -0.245 4.086 4.340 -0.014 0.000 0.210 144 L C 2.370 179.251 176.870 0.018 0.000 1.076 144 L CA 1.890 56.763 54.840 0.055 0.000 0.749 144 L CB -1.262 40.845 42.059 0.079 0.000 0.893 144 L HN 0.218 nan 8.230 nan 0.000 0.432 145 D N -1.111 119.309 120.400 0.033 0.000 2.104 145 D HA -0.172 4.460 4.640 -0.014 0.000 0.194 145 D C 1.912 178.221 176.300 0.015 0.000 0.994 145 D CA 1.665 55.669 54.000 0.006 0.000 0.830 145 D CB 0.415 41.218 40.800 0.004 0.000 0.959 145 D HN 0.329 nan 8.370 nan 0.000 0.452 146 S N -0.045 115.678 115.700 0.038 0.000 2.383 146 S HA -0.069 4.393 4.470 -0.014 0.000 0.227 146 S C 2.145 176.747 174.600 0.004 0.000 1.026 146 S CA 0.714 58.927 58.200 0.022 0.000 0.981 146 S CB -0.119 63.097 63.200 0.026 0.000 0.818 146 S HN 0.339 nan 8.310 nan 0.000 0.472 147 M N 1.100 120.693 119.600 -0.012 0.000 2.159 147 M HA -0.105 4.366 4.480 -0.014 0.000 0.263 147 M C 2.429 178.718 176.300 -0.019 0.000 1.063 147 M CA 1.466 56.754 55.300 -0.021 0.000 1.110 147 M CB -0.501 32.063 32.600 -0.060 0.000 1.374 147 M HN 0.406 nan 8.290 nan 0.000 0.411 148 A N -0.441 122.367 122.820 -0.019 0.000 1.929 148 A HA -0.086 4.226 4.320 -0.014 0.000 0.216 148 A C 2.135 179.725 177.584 0.011 0.000 1.176 148 A CA 1.744 53.775 52.037 -0.010 0.000 0.628 148 A CB -0.933 18.047 19.000 -0.033 0.000 0.816 148 A HN 0.409 nan 8.150 nan 0.000 0.444 149 T N 0.292 114.858 114.554 0.019 0.000 2.915 149 T HA 0.026 4.368 4.350 -0.014 0.000 0.269 149 T C 1.177 175.898 174.700 0.036 0.000 1.071 149 T CA 0.962 63.086 62.100 0.041 0.000 1.132 149 T CB -0.238 68.659 68.868 0.049 0.000 0.878 149 T HN 0.331 nan 8.240 nan 0.000 0.479 150 L N 0.522 121.761 121.223 0.027 0.000 2.741 150 L HA 0.336 4.667 4.340 -0.014 0.000 0.237 150 L C 1.508 178.396 176.870 0.031 0.000 1.178 150 L CA -0.234 54.623 54.840 0.029 0.000 0.973 150 L CB -0.318 41.759 42.059 0.030 0.000 1.255 150 L HN 0.361 nan 8.230 nan 0.000 0.498 151 G N 1.220 110.041 108.800 0.034 0.000 2.283 151 G HA2 -0.284 3.667 3.960 -0.014 0.000 0.280 151 G HA3 -0.284 3.667 3.960 -0.014 0.000 0.280 151 G C 0.081 175.002 174.900 0.035 0.000 1.029 151 G CA 0.121 45.252 45.100 0.052 0.000 0.840 151 G HN 0.300 nan 8.290 nan 0.000 0.505 152 L N -0.165 121.052 121.223 -0.010 0.000 2.334 152 L HA 0.619 4.951 4.340 -0.014 0.000 0.277 152 L C 1.112 177.828 176.870 -0.257 0.000 1.075 152 L CA -0.453 54.331 54.840 -0.094 0.000 0.804 152 L CB 1.722 43.742 42.059 -0.064 0.000 1.174 152 L HN 0.263 nan 8.230 nan 0.000 0.438 153 A N 3.228 125.753 122.820 -0.491 0.000 2.915 153 A HA 0.581 4.893 4.320 -0.014 0.000 0.292 153 A C 0.227 177.464 177.584 -0.578 0.000 1.632 153 A CA -0.151 51.321 52.037 -0.942 0.000 1.337 153 A CB -0.528 17.829 19.000 -1.072 0.000 1.111 153 A HN 0.712 nan 8.150 nan 0.000 0.569 154 A N 1.692 124.200 122.820 -0.520 0.000 2.355 154 A HA 0.810 5.122 4.320 -0.014 0.000 0.324 154 A C -1.225 176.024 177.584 -0.558 0.000 1.117 154 A CA -0.473 51.307 52.037 -0.428 0.000 0.785 154 A CB 0.907 19.735 19.000 -0.288 0.000 1.254 154 A HN 0.604 nan 8.150 nan 0.000 0.453 155 Y N 0.254 120.501 120.300 -0.089 0.000 2.361 155 Y HA 0.539 5.081 4.550 -0.014 0.000 0.337 155 Y C 0.826 176.812 175.900 0.144 0.000 0.965 155 Y CA -0.519 57.604 58.100 0.037 0.000 1.091 155 Y CB 2.267 40.866 38.460 0.231 0.000 1.182 155 Y HN 0.856 nan 8.280 nan 0.000 0.450 156 G N 2.153 111.015 108.800 0.103 0.000 2.356 156 G HA2 0.454 4.405 3.960 -0.014 0.000 0.298 156 G HA3 0.454 4.405 3.960 -0.014 0.000 0.298 156 G C -1.748 173.165 174.900 0.022 0.000 1.145 156 G CA -0.251 44.954 45.100 0.175 0.000 0.850 156 G HN 0.530 nan 8.290 nan 0.000 0.487 157 Y N 0.509 121.014 120.300 0.342 0.000 2.406 157 Y HA 0.624 5.165 4.550 -0.014 0.000 0.340 157 Y C 0.683 176.852 175.900 0.448 0.000 0.975 157 Y CA 0.116 58.387 58.100 0.284 0.000 1.056 157 Y CB 2.771 41.433 38.460 0.337 0.000 1.210 157 Y HN 0.924 nan 8.280 nan 0.000 0.448 158 G N 2.225 111.322 108.800 0.494 0.000 2.650 158 G HA2 0.556 4.507 3.960 -0.014 0.000 0.310 158 G HA3 0.556 4.507 3.960 -0.014 0.000 0.310 158 G C -1.864 173.244 174.900 0.347 0.000 1.270 158 G CA -0.853 44.549 45.100 0.503 0.000 0.810 158 G HN 0.438 nan 8.290 nan 0.000 0.493 159 I N 0.859 121.525 120.570 0.160 0.000 2.377 159 I HA 0.389 4.551 4.170 -0.014 0.000 0.293 159 I C 0.433 176.464 176.117 -0.144 0.000 0.987 159 I CA -0.673 60.627 61.300 0.001 0.000 1.185 159 I CB 1.958 39.752 38.000 -0.344 0.000 1.341 159 I HN 0.364 nan 8.210 nan 0.000 0.455 160 R N 6.759 127.290 120.500 0.052 0.000 2.612 160 R HA 0.192 4.524 4.340 -0.014 0.000 0.273 160 R C -1.193 175.198 176.300 0.152 0.000 1.376 160 R CA -0.351 55.814 56.100 0.109 0.000 1.171 160 R CB -0.110 30.211 30.300 0.035 0.000 1.151 160 R HN 0.396 nan 8.270 nan 0.000 0.560 161 Y N 1.545 121.992 120.300 0.246 0.000 2.411 161 Y HA -0.047 4.495 4.550 -0.014 0.000 0.333 161 Y C 1.588 177.653 175.900 0.276 0.000 1.186 161 Y CA 0.004 58.234 58.100 0.217 0.000 1.381 161 Y CB 0.938 39.497 38.460 0.165 0.000 1.273 161 Y HN 0.576 nan 8.280 nan 0.000 0.546 162 E N 0.883 121.264 120.200 0.302 0.000 2.385 162 E HA 0.040 4.381 4.350 -0.014 0.000 0.194 162 E C -0.799 175.651 176.600 -0.250 0.000 1.013 162 E CA 0.430 56.853 56.400 0.038 0.000 0.866 162 E CB 0.138 29.714 29.700 -0.207 0.000 0.832 162 E HN 0.375 nan 8.360 nan 0.000 0.500 163 F N 1.445 121.611 119.950 0.359 0.000 2.403 163 F HA 0.511 5.030 4.527 -0.014 0.000 0.355 163 F C 0.896 176.746 175.800 0.082 0.000 1.119 163 F CA -0.846 57.302 58.000 0.247 0.000 1.007 163 F CB 1.877 40.961 39.000 0.140 0.000 1.194 163 F HN -0.029 nan 8.300 nan 0.000 0.443 164 G N 2.028 110.859 108.800 0.053 0.000 2.546 164 G HA2 0.321 4.273 3.960 -0.014 0.000 0.239 164 G HA3 0.321 4.273 3.960 -0.014 0.000 0.239 164 G C -0.523 174.301 174.900 -0.126 0.000 1.476 164 G CA -0.621 44.362 45.100 -0.196 0.000 1.064 164 G HN 0.515 nan 8.290 nan 0.000 0.561 165 I N 1.158 121.585 120.570 -0.238 0.000 2.598 165 I HA 0.250 4.411 4.170 -0.014 0.000 0.284 165 I C 0.593 176.630 176.117 -0.133 0.000 1.140 165 I CA -1.034 60.127 61.300 -0.233 0.000 1.420 165 I CB -0.290 37.470 38.000 -0.400 0.000 1.387 165 I HN 0.356 nan 8.210 nan 0.000 0.553 166 F N 6.477 126.431 119.950 0.008 0.000 2.647 166 F HA 0.052 4.571 4.527 -0.014 0.000 0.363 166 F C 0.381 176.225 175.800 0.073 0.000 1.130 166 F CA -0.205 57.823 58.000 0.047 0.000 1.351 166 F CB -0.326 38.691 39.000 0.028 0.000 1.026 166 F HN 0.448 nan 8.300 nan 0.000 0.607 167 N N 2.703 121.597 118.700 0.323 0.000 2.444 167 N HA 0.064 4.795 4.740 -0.014 0.000 0.271 167 N C -0.737 175.013 175.510 0.401 0.000 1.069 167 N CA -0.349 52.857 53.050 0.260 0.000 0.965 167 N CB 1.269 39.887 38.487 0.219 0.000 1.092 167 N HN 0.770 nan 8.380 nan 0.000 0.476 168 Q N 2.333 122.349 119.800 0.361 0.000 2.267 168 Q HA 0.171 4.503 4.340 -0.014 0.000 0.255 168 Q C -0.927 175.224 176.000 0.252 0.000 0.923 168 Q CA -0.229 55.806 55.803 0.386 0.000 0.925 168 Q CB 0.739 29.702 28.738 0.375 0.000 1.195 168 Q HN 0.227 nan 8.270 nan 0.000 0.417 169 K N 4.115 124.634 120.400 0.199 0.000 2.324 169 K HA 0.430 4.741 4.320 -0.014 0.000 0.253 169 K C -0.838 175.834 176.600 0.119 0.000 0.932 169 K CA -0.910 55.466 56.287 0.149 0.000 0.799 169 K CB 1.570 34.142 32.500 0.119 0.000 1.154 169 K HN 0.627 nan 8.250 nan 0.000 0.425 170 I N 2.794 123.422 120.570 0.097 0.000 2.297 170 I HA 0.159 4.320 4.170 -0.014 0.000 0.291 170 I C -0.030 176.129 176.117 0.070 0.000 1.033 170 I CA -0.773 60.560 61.300 0.055 0.000 1.253 170 I CB 0.230 38.240 38.000 0.017 0.000 1.396 170 I HN 0.390 nan 8.210 nan 0.000 0.476 171 C N 4.327 123.688 119.300 0.101 0.000 2.281 171 C HA 0.585 5.036 4.460 -0.014 0.000 0.325 171 C C 1.273 176.354 174.990 0.153 0.000 1.282 171 C CA -0.332 58.749 59.018 0.105 0.000 1.640 171 C CB 0.375 28.173 27.740 0.097 0.000 2.288 171 C HN 1.078 nan 8.230 nan 0.000 0.507 172 G N 2.639 111.502 108.800 0.106 0.000 2.249 172 G HA2 0.108 4.059 3.960 -0.014 0.000 0.273 172 G HA3 0.108 4.059 3.960 -0.014 0.000 0.273 172 G C 1.068 175.974 174.900 0.010 0.000 1.036 172 G CA 0.900 46.068 45.100 0.113 0.000 0.824 172 G HN 2.326 nan 8.290 nan 0.000 0.504 173 G N -2.820 105.929 108.800 -0.084 0.000 2.199 173 G HA2 -0.296 3.655 3.960 -0.014 0.000 0.254 173 G HA3 -0.296 3.655 3.960 -0.014 0.000 0.254 173 G C 0.373 175.039 174.900 -0.390 0.000 0.982 173 G CA 0.608 45.535 45.100 -0.288 0.000 0.632 173 G HN 1.204 nan 8.290 nan 0.000 0.529 174 W N 1.181 122.426 121.300 -0.090 0.000 2.417 174 W HA 0.656 5.308 4.660 -0.014 0.000 0.317 174 W C 0.694 177.157 176.519 -0.094 0.000 1.121 174 W CA -0.893 56.392 57.345 -0.100 0.000 1.208 174 W CB 0.822 30.241 29.460 -0.069 0.000 1.253 174 W HN 0.274 nan 8.180 nan 0.000 0.533 175 Q N 3.050 122.940 119.800 0.150 0.000 2.330 175 Q HA 0.158 4.489 4.340 -0.014 0.000 0.279 175 Q C -0.618 175.427 176.000 0.075 0.000 1.024 175 Q CA 0.291 56.144 55.803 0.082 0.000 0.900 175 Q CB 0.498 29.275 28.738 0.064 0.000 1.221 175 Q HN 0.288 nan 8.270 nan 0.000 0.396 176 M N 3.318 122.952 119.600 0.056 0.000 2.259 176 M HA 0.368 4.840 4.480 -0.014 0.000 0.304 176 M C -1.248 175.045 176.300 -0.011 0.000 1.019 176 M CA -0.744 54.560 55.300 0.008 0.000 0.922 176 M CB 1.673 34.294 32.600 0.036 0.000 1.600 176 M HN 0.560 nan 8.290 nan 0.000 0.433 177 E N 2.184 122.302 120.200 -0.137 0.000 2.216 177 E HA 0.502 4.843 4.350 -0.014 0.000 0.279 177 E C -0.565 176.003 176.600 -0.053 0.000 0.997 177 E CA -0.453 55.813 56.400 -0.223 0.000 0.817 177 E CB 1.353 30.629 29.700 -0.706 0.000 1.096 177 E HN 0.537 nan 8.360 nan 0.000 0.393 178 E N 0.981 121.234 120.200 0.089 0.000 2.314 178 E HA 0.706 5.047 4.350 -0.014 0.000 0.272 178 E C -1.075 175.609 176.600 0.139 0.000 0.884 178 E CA -1.485 54.963 56.400 0.080 0.000 0.753 178 E CB 1.430 31.185 29.700 0.092 0.000 1.213 178 E HN 0.446 nan 8.360 nan 0.000 0.432 179 A N 2.273 125.136 122.820 0.071 0.000 2.565 179 A HA 0.050 4.361 4.320 -0.014 0.000 0.237 179 A C -0.152 177.600 177.584 0.281 0.000 1.053 179 A CA 0.370 52.463 52.037 0.093 0.000 0.755 179 A CB 0.013 18.918 19.000 -0.158 0.000 0.980 179 A HN 0.703 nan 8.150 nan 0.000 0.506 180 D N 1.373 122.026 120.400 0.421 0.000 2.428 180 D HA 0.186 4.817 4.640 -0.014 0.000 0.221 180 D C -0.748 175.880 176.300 0.547 0.000 1.123 180 D CA -0.115 54.125 54.000 0.401 0.000 0.869 180 D CB 0.536 41.502 40.800 0.276 0.000 1.032 180 D HN 0.364 nan 8.370 nan 0.000 0.506 181 D N 4.871 125.549 120.400 0.463 0.000 2.767 181 D HA 0.015 4.646 4.640 -0.014 0.000 0.241 181 D C 0.997 177.465 176.300 0.281 0.000 1.187 181 D CA -0.505 53.717 54.000 0.371 0.000 0.999 181 D CB 0.059 41.066 40.800 0.346 0.000 1.042 181 D HN 0.626 nan 8.370 nan 0.000 0.510 182 W N 2.095 123.443 121.300 0.080 0.000 2.525 182 W HA -0.035 4.617 4.660 -0.014 0.000 0.259 182 W C 0.426 177.015 176.519 0.118 0.000 1.253 182 W CA 0.008 57.418 57.345 0.108 0.000 1.262 182 W CB -0.820 28.695 29.460 0.091 0.000 1.122 182 W HN 0.181 nan 8.180 nan 0.000 0.607 183 L N 0.852 121.776 121.223 -0.498 0.000 2.607 183 L HA 0.179 4.510 4.340 -0.014 0.000 0.228 183 L C 2.765 179.517 176.870 -0.196 0.000 1.123 183 L CA -0.012 54.508 54.840 -0.532 0.000 0.890 183 L CB -0.559 41.031 42.059 -0.782 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.315 120.774 120.500 -0.069 0.000 2.140 184 R HA -0.247 4.084 4.340 -0.014 0.000 0.250 184 R C 1.500 177.661 176.300 -0.231 0.000 1.150 184 R CA 2.146 58.182 56.100 -0.107 0.000 0.966 184 R CB -0.162 30.129 30.300 -0.016 0.000 0.869 184 R HN 0.318 nan 8.270 nan 0.000 0.445 185 Y N -0.983 119.335 120.300 0.030 0.000 2.462 185 Y HA 0.302 4.843 4.550 -0.014 0.000 0.261 185 Y C 0.877 176.772 175.900 -0.007 0.000 1.146 185 Y CA 0.546 58.674 58.100 0.047 0.000 1.283 185 Y CB 1.208 39.813 38.460 0.242 0.000 1.090 185 Y HN 0.396 nan 8.280 nan 0.000 0.526 186 G N 1.120 109.976 108.800 0.093 0.000 2.619 186 G HA2 -0.204 3.747 3.960 -0.014 0.000 0.686 186 G HA3 -0.204 3.747 3.960 -0.014 0.000 0.686 186 G C -1.378 173.591 174.900 0.115 0.000 1.256 186 G CA -0.875 44.244 45.100 0.032 0.000 0.826 186 G HN 0.157 nan 8.290 nan 0.000 0.619 187 N N 1.316 120.030 118.700 0.023 0.000 2.518 187 N HA 0.530 5.262 4.740 -0.014 0.000 0.254 187 N C -0.705 174.806 175.510 0.002 0.000 0.979 187 N CA -2.048 51.036 53.050 0.057 0.000 0.930 187 N CB 1.955 40.424 38.487 -0.031 0.000 1.152 187 N HN 0.236 nan 8.380 nan 0.000 0.505 188 P HA -0.028 nan 4.420 nan 0.000 0.228 188 P C 0.425 177.409 177.300 -0.527 0.000 1.151 188 P CA 0.947 63.707 63.100 -0.567 0.000 0.770 188 P CB 0.086 31.107 31.700 -1.132 0.000 0.786 189 W N 1.232 122.549 121.300 0.029 0.000 2.907 189 W HA 0.114 4.766 4.660 -0.014 0.000 0.271 189 W C 1.197 177.760 176.519 0.074 0.000 1.253 189 W CA -0.442 56.912 57.345 0.015 0.000 1.501 189 W CB -0.043 29.419 29.460 0.005 0.000 1.047 189 W HN -0.067 nan 8.180 nan 0.000 0.610 190 E N 1.828 122.200 120.200 0.286 0.000 2.349 190 E HA 0.299 4.640 4.350 -0.014 0.000 0.265 190 E C -0.603 176.173 176.600 0.293 0.000 1.064 190 E CA -0.655 55.929 56.400 0.305 0.000 0.886 190 E CB 1.315 31.214 29.700 0.332 0.000 1.036 190 E HN -0.326 nan 8.360 nan 0.000 0.413 191 K N 1.548 122.143 120.400 0.324 0.000 2.507 191 K HA 0.394 4.705 4.320 -0.014 0.000 0.253 191 K C -1.102 175.549 176.600 0.086 0.000 0.969 191 K CA -0.489 55.928 56.287 0.216 0.000 0.908 191 K CB 1.294 33.931 32.500 0.228 0.000 1.127 191 K HN 0.651 nan 8.250 nan 0.000 0.437 192 A N 4.026 126.802 122.820 -0.074 0.000 2.462 192 A HA 0.364 4.675 4.320 -0.014 0.000 0.243 192 A C -0.232 177.181 177.584 -0.284 0.000 1.076 192 A CA -0.137 51.588 52.037 -0.519 0.000 0.773 192 A CB 0.255 18.878 19.000 -0.627 0.000 1.010 192 A HN 0.658 nan 8.150 nan 0.000 0.493 193 R N 2.878 123.200 120.500 -0.296 0.000 2.835 193 R HA 0.211 4.543 4.340 -0.014 0.000 0.290 193 R C -2.354 173.845 176.300 -0.167 0.000 1.410 193 R CA -1.736 54.296 56.100 -0.114 0.000 1.590 193 R CB 0.715 31.136 30.300 0.203 0.000 1.288 193 R HN 0.608 nan 8.270 nan 0.000 0.637 194 P HA -0.115 nan 4.420 nan 0.000 0.225 194 P C 0.134 177.328 177.300 -0.177 0.000 1.148 194 P CA 0.929 63.947 63.100 -0.137 0.000 0.779 194 P CB 0.569 32.202 31.700 -0.113 0.000 0.780 195 E N -0.230 119.750 120.200 -0.365 0.000 2.204 195 E HA -0.124 4.217 4.350 -0.014 0.000 0.195 195 E C 0.846 177.171 176.600 -0.459 0.000 0.990 195 E CA 1.085 57.185 56.400 -0.500 0.000 0.821 195 E CB -0.982 28.201 29.700 -0.862 0.000 0.750 195 E HN 0.365 nan 8.360 nan 0.000 0.477 196 F N 0.786 120.753 119.950 0.028 0.000 2.668 196 F HA 0.244 4.763 4.527 -0.014 0.000 0.297 196 F C 0.333 176.228 175.800 0.158 0.000 1.124 196 F CA -0.491 57.557 58.000 0.079 0.000 1.353 196 F CB -0.576 38.467 39.000 0.071 0.000 0.992 196 F HN -0.295 nan 8.300 nan 0.000 0.524 197 T N 2.323 116.997 114.554 0.201 0.000 2.932 197 T HA 0.329 4.670 4.350 -0.014 0.000 0.312 197 T C -0.318 174.479 174.700 0.161 0.000 1.071 197 T CA 0.283 62.512 62.100 0.215 0.000 1.128 197 T CB 0.959 69.906 68.868 0.132 0.000 0.984 197 T HN -0.116 nan 8.240 nan 0.000 0.549 198 L N 3.885 125.172 121.223 0.107 0.000 2.409 198 L HA 0.576 4.907 4.340 -0.014 0.000 0.262 198 L C -2.375 174.458 176.870 -0.062 0.000 0.992 198 L CA -2.340 52.499 54.840 -0.000 0.000 0.817 198 L CB 2.412 44.410 42.059 -0.100 0.000 1.350 198 L HN 0.386 nan 8.230 nan 0.000 0.411 199 P HA 0.415 nan 4.420 nan 0.000 0.288 199 P C -1.380 175.785 177.300 -0.224 0.000 1.267 199 P CA -0.412 62.598 63.100 -0.149 0.000 0.815 199 P CB 2.083 33.689 31.700 -0.156 0.000 0.989 200 V N 3.834 123.586 119.914 -0.270 0.000 2.588 200 V HA 0.329 4.440 4.120 -0.014 0.000 0.304 200 V C 0.080 175.904 176.094 -0.451 0.000 1.042 200 V CA -0.588 61.535 62.300 -0.296 0.000 0.877 200 V CB 1.550 33.253 31.823 -0.201 0.000 0.996 200 V HN 0.619 nan 8.190 nan 0.000 0.425 201 H N 3.961 122.811 119.070 -0.365 0.000 2.499 201 H HA 0.628 5.176 4.556 -0.014 0.000 0.340 201 H C -1.349 173.580 175.328 -0.666 0.000 1.148 201 H CA -0.210 55.522 56.048 -0.528 0.000 1.215 201 H CB 2.049 31.301 29.762 -0.850 0.000 1.529 201 H HN 0.446 nan 8.280 nan 0.000 0.510 202 F N 0.087 120.044 119.950 0.013 0.000 2.603 202 F HA 0.215 4.734 4.527 -0.014 0.000 0.317 202 F C -0.072 175.790 175.800 0.103 0.000 1.066 202 F CA -0.618 57.404 58.000 0.037 0.000 0.941 202 F CB 0.740 39.710 39.000 -0.051 0.000 1.291 202 F HN 0.579 nan 8.300 nan 0.000 0.472 203 Y N 0.248 120.788 120.300 0.401 0.000 2.887 203 Y HA -0.003 4.538 4.550 -0.014 0.000 0.467 203 Y C 1.396 177.480 175.900 0.307 0.000 1.191 203 Y CA 0.911 59.173 58.100 0.270 0.000 2.539 203 Y CB -1.837 36.711 38.460 0.146 0.000 1.225 203 Y HN 1.297 nan 8.280 nan 0.000 0.630 204 G N 0.437 109.441 108.800 0.340 0.000 2.632 204 G HA2 0.186 4.137 3.960 -0.014 0.000 0.224 204 G HA3 0.186 4.137 3.960 -0.014 0.000 0.224 204 G C -0.673 174.407 174.900 0.300 0.000 1.341 204 G CA 0.769 45.997 45.100 0.213 0.000 0.880 204 G HN 1.352 nan 8.290 nan 0.000 0.566 205 R N -2.866 117.824 120.500 0.316 0.000 2.741 205 R HA 0.705 5.036 4.340 -0.014 0.000 0.274 205 R C -1.555 174.897 176.300 0.253 0.000 1.029 205 R CA -1.016 55.229 56.100 0.242 0.000 0.880 205 R CB 1.180 31.563 30.300 0.138 0.000 1.264 205 R HN 0.957 nan 8.270 nan 0.000 0.465 206 V N 1.076 121.061 119.914 0.119 0.000 2.417 206 V HA 0.358 4.470 4.120 -0.014 0.000 0.291 206 V C -0.407 175.654 176.094 -0.055 0.000 1.024 206 V CA -0.610 61.689 62.300 -0.001 0.000 0.861 206 V CB 1.493 33.257 31.823 -0.099 0.000 0.985 206 V HN 0.650 nan 8.190 nan 0.000 0.436 207 E N 3.465 123.606 120.200 -0.099 0.000 2.166 207 E HA 0.425 4.767 4.350 -0.014 0.000 0.275 207 E C -0.962 175.517 176.600 -0.203 0.000 0.941 207 E CA -0.706 55.657 56.400 -0.063 0.000 0.784 207 E CB 1.416 31.111 29.700 -0.009 0.000 1.115 207 E HN 0.639 nan 8.360 nan 0.000 0.399 208 H N 2.460 121.544 119.070 0.024 0.000 2.724 208 H HA 0.171 4.718 4.556 -0.014 0.000 0.278 208 H C -0.475 174.862 175.328 0.015 0.000 1.159 208 H CA -0.273 55.784 56.048 0.015 0.000 1.254 208 H CB 0.536 30.303 29.762 0.009 0.000 1.412 208 H HN 0.409 nan 8.280 nan 0.000 0.488 209 T N 0.097 114.692 114.554 0.069 0.000 2.809 209 T HA 0.279 4.621 4.350 -0.014 0.000 0.296 209 T C 1.035 175.762 174.700 0.045 0.000 1.015 209 T CA -0.512 61.619 62.100 0.052 0.000 0.954 209 T CB 1.598 70.482 68.868 0.027 0.000 0.950 209 T HN 0.543 nan 8.240 nan 0.000 0.450 210 S N 2.564 118.292 115.700 0.047 0.000 2.395 210 S HA -0.339 4.122 4.470 -0.014 0.000 0.352 210 S C 1.127 175.748 174.600 0.035 0.000 1.154 210 S CA 1.976 60.197 58.200 0.036 0.000 2.485 210 S CB -1.141 62.075 63.200 0.028 0.000 2.219 210 S HN 0.762 nan 8.310 nan 0.000 0.539 211 Q N 1.669 121.488 119.800 0.032 0.000 2.110 211 Q HA 0.555 4.887 4.340 -0.014 0.000 0.232 211 Q C 0.099 176.117 176.000 0.030 0.000 0.810 211 Q CA 0.808 56.629 55.803 0.030 0.000 1.083 211 Q CB 1.291 30.044 28.738 0.025 0.000 1.193 211 Q HN 0.816 nan 8.270 nan 0.000 0.471 212 G N -1.172 107.649 108.800 0.035 0.000 2.355 212 G HA2 0.570 4.521 3.960 -0.014 0.000 0.296 212 G HA3 0.570 4.521 3.960 -0.014 0.000 0.296 212 G C -1.691 173.211 174.900 0.003 0.000 1.507 212 G CA -0.262 44.853 45.100 0.025 0.000 0.823 212 G HN 0.125 nan 8.290 nan 0.000 0.569 213 A N 0.098 122.894 122.820 -0.040 0.000 2.295 213 A HA 0.894 5.205 4.320 -0.014 0.000 0.318 213 A C 0.033 177.544 177.584 -0.123 0.000 1.134 213 A CA -0.380 51.536 52.037 -0.201 0.000 0.827 213 A CB 1.032 19.863 19.000 -0.282 0.000 1.136 213 A HN 0.648 nan 8.150 nan 0.000 0.493 214 K N 0.277 120.600 120.400 -0.127 0.000 2.464 214 K HA 0.296 4.608 4.320 -0.014 0.000 0.253 214 K C -1.912 174.715 176.600 0.045 0.000 0.933 214 K CA -0.409 55.861 56.287 -0.030 0.000 0.801 214 K CB 2.279 34.766 32.500 -0.021 0.000 1.271 214 K HN 0.689 nan 8.250 nan 0.000 0.430 215 W N 3.796 125.007 121.300 -0.148 0.000 2.329 215 W HA 0.473 5.124 4.660 -0.014 0.000 0.312 215 W C -1.292 175.154 176.519 -0.122 0.000 1.054 215 W CA -0.741 56.522 57.345 -0.136 0.000 1.245 215 W CB 0.722 30.088 29.460 -0.158 0.000 1.255 215 W HN 0.209 nan 8.180 nan 0.000 0.436 216 V N 6.166 126.087 119.914 0.012 0.000 3.001 216 V HA 0.306 4.417 4.120 -0.014 0.000 0.314 216 V C -0.498 175.548 176.094 -0.079 0.000 1.099 216 V CA -0.768 61.498 62.300 -0.056 0.000 0.989 216 V CB 2.199 34.030 31.823 0.014 0.000 1.040 216 V HN 0.458 nan 8.190 nan 0.000 0.434 217 D N 1.322 121.677 120.400 -0.075 0.000 2.686 217 D HA -0.138 4.493 4.640 -0.014 0.000 0.235 217 D C 0.500 176.745 176.300 -0.092 0.000 1.160 217 D CA 1.388 55.345 54.000 -0.071 0.000 0.645 217 D CB -1.216 39.571 40.800 -0.021 0.000 1.039 217 D HN 0.832 nan 8.370 nan 0.000 0.423 218 T N -3.233 111.220 114.554 -0.168 0.000 2.922 218 T HA 0.380 4.721 4.350 -0.014 0.000 0.285 218 T C 0.251 174.914 174.700 -0.061 0.000 1.005 218 T CA -0.915 61.088 62.100 -0.161 0.000 1.061 218 T CB 2.612 71.196 68.868 -0.474 0.000 1.007 218 T HN 0.192 nan 8.240 nan 0.000 0.502 219 Q N 1.140 120.977 119.800 0.060 0.000 2.261 219 Q HA 0.468 4.800 4.340 -0.014 0.000 0.252 219 Q C -1.328 174.718 176.000 0.078 0.000 0.915 219 Q CA -0.726 55.125 55.803 0.081 0.000 0.915 219 Q CB 1.129 30.009 28.738 0.237 0.000 1.204 219 Q HN 0.621 nan 8.270 nan 0.000 0.421 220 V N 4.631 124.552 119.914 0.012 0.000 2.398 220 V HA 0.371 4.483 4.120 -0.014 0.000 0.286 220 V C -0.382 175.751 176.094 0.066 0.000 1.026 220 V CA -0.517 61.734 62.300 -0.082 0.000 0.868 220 V CB 1.726 33.471 31.823 -0.130 0.000 0.982 220 V HN 0.605 nan 8.190 nan 0.000 0.443 221 V N 6.336 126.318 119.914 0.113 0.000 2.628 221 V HA 0.513 4.624 4.120 -0.014 0.000 0.306 221 V C -0.201 175.980 176.094 0.146 0.000 1.045 221 V CA -0.694 61.724 62.300 0.198 0.000 0.905 221 V CB 2.001 34.051 31.823 0.379 0.000 0.997 221 V HN 0.614 nan 8.190 nan 0.000 0.436 222 L N 3.470 124.790 121.223 0.162 0.000 2.307 222 L HA 0.767 5.098 4.340 -0.014 0.000 0.282 222 L C 0.341 177.383 176.870 0.287 0.000 1.051 222 L CA -0.530 54.401 54.840 0.152 0.000 0.804 222 L CB 1.490 43.623 42.059 0.124 0.000 1.197 222 L HN 0.725 nan 8.230 nan 0.000 0.431 223 A N 5.134 128.078 122.820 0.206 0.000 2.253 223 A HA 0.585 4.897 4.320 -0.014 0.000 0.316 223 A C -0.398 177.431 177.584 0.409 0.000 1.327 223 A CA -0.443 51.743 52.037 0.247 0.000 0.917 223 A CB 0.835 19.583 19.000 -0.420 0.000 1.162 223 A HN 0.816 nan 8.150 nan 0.000 0.535 224 M N 5.691 125.599 119.600 0.514 0.000 2.180 224 M HA 0.467 4.938 4.480 -0.014 0.000 0.350 224 M C -2.619 173.972 176.300 0.484 0.000 1.125 224 M CA -2.173 53.386 55.300 0.431 0.000 1.031 224 M CB 2.009 34.796 32.600 0.313 0.000 1.623 224 M HN 0.325 nan 8.290 nan 0.000 0.451 225 P HA 0.278 nan 4.420 nan 0.000 0.282 225 P C -1.928 175.340 177.300 -0.055 0.000 1.249 225 P CA 0.014 63.075 63.100 -0.066 0.000 0.806 225 P CB 0.446 31.944 31.700 -0.338 0.000 0.984 226 Y N 0.519 120.770 120.300 -0.083 0.000 2.326 226 Y HA 0.323 4.864 4.550 -0.014 0.000 0.329 226 Y C -0.087 175.804 175.900 -0.015 0.000 0.973 226 Y CA -0.414 57.691 58.100 0.009 0.000 1.162 226 Y CB 1.343 39.838 38.460 0.058 0.000 1.147 226 Y HN 0.213 nan 8.280 nan 0.000 0.456 227 D N 1.987 122.502 120.400 0.193 0.000 2.193 227 D HA 0.422 5.053 4.640 -0.014 0.000 0.244 227 D C -0.508 175.995 176.300 0.337 0.000 1.064 227 D CA -0.215 53.923 54.000 0.229 0.000 0.845 227 D CB 1.749 42.738 40.800 0.315 0.000 1.148 227 D HN 0.347 nan 8.370 nan 0.000 0.464 228 T N 3.136 117.791 114.554 0.168 0.000 2.829 228 T HA 0.499 4.841 4.350 -0.014 0.000 0.280 228 T C -2.498 172.033 174.700 -0.282 0.000 0.999 228 T CA -1.451 60.658 62.100 0.015 0.000 0.983 228 T CB 2.057 70.934 68.868 0.015 0.000 0.968 228 T HN 0.200 nan 8.240 nan 0.000 0.446 229 P HA 0.376 nan 4.420 nan 0.000 0.279 229 P C -1.120 175.856 177.300 -0.540 0.000 1.239 229 P CA -0.462 61.989 63.100 -1.081 0.000 0.789 229 P CB 1.044 31.796 31.700 -1.580 0.000 0.933 230 V N 5.048 124.706 119.914 -0.427 0.000 2.340 230 V HA 0.259 4.370 4.120 -0.014 0.000 0.277 230 V C -2.062 173.905 176.094 -0.212 0.000 1.017 230 V CA -1.914 60.229 62.300 -0.262 0.000 0.820 230 V CB 1.449 33.163 31.823 -0.182 0.000 1.028 230 V HN 0.555 nan 8.190 nan 0.000 0.436 231 P HA 0.253 nan 4.420 nan 0.000 0.282 231 P C 0.386 177.642 177.300 -0.075 0.000 1.262 231 P CA 0.357 63.377 63.100 -0.134 0.000 0.773 231 P CB 1.697 33.313 31.700 -0.139 0.000 0.879 232 G N 2.923 111.697 108.800 -0.042 0.000 2.606 232 G HA2 0.111 4.063 3.960 -0.014 0.000 0.252 232 G HA3 0.111 4.063 3.960 -0.014 0.000 0.252 232 G C -1.132 173.795 174.900 0.045 0.000 1.206 232 G CA -0.457 44.646 45.100 0.005 0.000 0.861 232 G HN 0.506 nan 8.290 nan 0.000 0.561 233 Y N 0.438 120.701 120.300 -0.062 0.000 2.480 233 Y HA 0.280 4.821 4.550 -0.015 0.000 0.341 233 Y C 1.307 177.173 175.900 -0.056 0.000 1.031 233 Y CA -0.210 57.850 58.100 -0.066 0.000 1.295 233 Y CB 0.320 38.737 38.460 -0.071 0.000 1.162 233 Y HN 0.707 nan 8.280 nan 0.000 0.523 234 R N 3.018 123.236 120.500 -0.471 0.000 3.484 234 R HA -0.315 4.016 4.340 -0.014 0.000 0.260 234 R C -0.085 176.097 176.300 -0.197 0.000 1.053 234 R CA 1.482 57.328 56.100 -0.423 0.000 0.703 234 R CB -1.809 28.056 30.300 -0.725 0.000 1.089 234 R HN 0.938 nan 8.270 nan 0.000 0.459 235 N N -1.596 117.035 118.700 -0.114 0.000 2.160 235 N HA 0.068 4.799 4.740 -0.014 0.000 0.226 235 N C -0.287 175.186 175.510 -0.061 0.000 1.256 235 N CA -0.367 52.643 53.050 -0.067 0.000 0.890 235 N CB 0.564 39.034 38.487 -0.029 0.000 1.116 235 N HN 0.090 nan 8.380 nan 0.000 0.517 236 N N -0.234 118.427 118.700 -0.064 0.000 2.753 236 N HA -0.136 4.595 4.740 -0.014 0.000 0.251 236 N C -1.009 174.469 175.510 -0.053 0.000 1.097 236 N CA 0.623 53.642 53.050 -0.052 0.000 0.786 236 N CB -1.389 37.068 38.487 -0.051 0.000 1.137 236 N HN 0.218 nan 8.380 nan 0.000 0.566 237 V N 1.066 120.952 119.914 -0.047 0.000 2.439 237 V HA 0.464 4.576 4.120 -0.014 0.000 0.282 237 V C 0.518 176.592 176.094 -0.034 0.000 1.039 237 V CA -0.498 61.780 62.300 -0.036 0.000 0.913 237 V CB 2.132 33.957 31.823 0.003 0.000 0.983 237 V HN -0.020 nan 8.190 nan 0.000 0.460 238 V N 5.327 125.228 119.914 -0.022 0.000 2.462 238 V HA 0.428 4.539 4.120 -0.014 0.000 0.288 238 V C -0.170 175.928 176.094 0.007 0.000 1.020 238 V CA -0.878 61.379 62.300 -0.072 0.000 0.857 238 V CB 1.516 33.277 31.823 -0.102 0.000 1.013 238 V HN 0.830 nan 8.190 nan 0.000 0.431 239 N N 1.816 120.488 118.700 -0.047 0.000 2.405 239 N HA 0.581 5.312 4.740 -0.014 0.000 0.269 239 N C -0.019 175.469 175.510 -0.037 0.000 1.249 239 N CA -0.261 52.780 53.050 -0.015 0.000 0.974 239 N CB 1.098 39.532 38.487 -0.088 0.000 1.204 239 N HN 0.591 nan 8.380 nan 0.000 0.565 240 T N 0.761 115.294 114.554 -0.034 0.000 2.841 240 T HA 0.393 4.734 4.350 -0.014 0.000 0.283 240 T C -0.300 174.352 174.700 -0.080 0.000 1.000 240 T CA -0.500 61.641 62.100 0.068 0.000 0.977 240 T CB 0.929 69.965 68.868 0.279 0.000 0.979 240 T HN 0.299 nan 8.240 nan 0.000 0.446 241 M N 4.028 123.553 119.600 -0.125 0.000 2.061 241 M HA 0.483 4.954 4.480 -0.014 0.000 0.346 241 M C -0.395 175.751 176.300 -0.258 0.000 1.112 241 M CA -0.684 54.461 55.300 -0.260 0.000 1.021 241 M CB 0.522 32.931 32.600 -0.318 0.000 1.530 241 M HN 0.473 nan 8.290 nan 0.000 0.437 242 R N 4.612 124.841 120.500 -0.451 0.000 2.393 242 R HA 0.617 4.948 4.340 -0.014 0.000 0.310 242 R C -2.049 173.949 176.300 -0.504 0.000 0.968 242 R CA -0.625 55.170 56.100 -0.509 0.000 0.867 242 R CB 1.118 30.961 30.300 -0.762 0.000 1.124 242 R HN 0.680 nan 8.270 nan 0.000 0.450 243 L N 5.516 126.539 121.223 -0.333 0.000 2.343 243 L HA 0.458 4.790 4.340 -0.014 0.000 0.278 243 L C -1.327 175.499 176.870 -0.074 0.000 0.996 243 L CA -0.335 54.422 54.840 -0.139 0.000 0.831 243 L CB 1.287 43.349 42.059 0.005 0.000 1.232 243 L HN 0.633 nan 8.230 nan 0.000 0.413 244 W N 2.649 124.058 121.300 0.181 0.000 2.316 244 W HA 0.624 5.276 4.660 -0.014 0.000 0.321 244 W C 0.631 177.361 176.519 0.351 0.000 1.203 244 W CA -0.266 57.193 57.345 0.191 0.000 1.214 244 W CB 1.366 30.748 29.460 -0.131 0.000 1.169 244 W HN 0.409 nan 8.180 nan 0.000 0.561 245 S N 1.347 117.462 115.700 0.693 0.000 2.503 245 S HA 0.795 5.256 4.470 -0.014 0.000 0.301 245 S C -0.542 174.446 174.600 0.647 0.000 1.087 245 S CA -0.711 57.817 58.200 0.546 0.000 1.042 245 S CB 0.786 64.241 63.200 0.424 0.000 1.043 245 S HN 0.509 nan 8.310 nan 0.000 0.489 246 A N 4.064 127.116 122.820 0.387 0.000 2.309 246 A HA 0.769 5.081 4.320 -0.014 0.000 0.298 246 A C -0.386 177.317 177.584 0.198 0.000 1.165 246 A CA -0.421 51.753 52.037 0.229 0.000 0.821 246 A CB 0.534 19.415 19.000 -0.197 0.000 1.102 246 A HN 0.575 nan 8.150 nan 0.000 0.500 247 K N 0.887 121.410 120.400 0.205 0.000 2.468 247 K HA 0.618 4.930 4.320 -0.014 0.000 0.252 247 K C -0.573 176.104 176.600 0.128 0.000 0.932 247 K CA -0.408 55.973 56.287 0.157 0.000 0.794 247 K CB 2.122 34.724 32.500 0.171 0.000 1.241 247 K HN 0.872 nan 8.250 nan 0.000 0.428 248 A N 4.539 127.417 122.820 0.097 0.000 2.401 248 A HA 0.412 4.724 4.320 -0.014 0.000 0.259 248 A C -1.993 175.642 177.584 0.085 0.000 1.103 248 A CA -0.951 51.137 52.037 0.086 0.000 0.789 248 A CB -0.376 18.664 19.000 0.066 0.000 1.035 248 A HN 0.395 nan 8.150 nan 0.000 0.491 249 P HA 0.004 nan 4.420 nan 0.000 0.268 249 P C -0.076 177.270 177.300 0.076 0.000 1.208 249 P CA -0.186 62.964 63.100 0.082 0.000 0.777 249 P CB 0.614 32.373 31.700 0.099 0.000 0.875 250 N N 0.648 119.384 118.700 0.060 0.000 2.353 250 N HA -0.060 4.672 4.740 -0.014 0.000 0.185 250 N C 0.587 176.127 175.510 0.050 0.000 1.098 250 N CA 0.079 53.161 53.050 0.053 0.000 0.872 250 N CB -0.266 38.247 38.487 0.043 0.000 0.970 250 N HN 0.488 nan 8.380 nan 0.000 0.467 251 D N 0.848 121.274 120.400 0.042 0.000 2.149 251 D HA -0.091 4.541 4.640 -0.014 0.000 0.291 251 D C 1.119 177.451 176.300 0.053 0.000 1.134 251 D CA -0.386 53.609 54.000 -0.009 0.000 1.056 251 D CB -0.364 40.401 40.800 -0.057 0.000 1.151 251 D HN -0.100 nan 8.370 nan 0.000 0.479 252 F N 0.487 120.466 119.950 0.050 0.000 2.105 252 F HA -0.269 4.250 4.527 -0.014 0.000 0.294 252 F C 1.567 177.397 175.800 0.050 0.000 1.054 252 F CA 1.668 59.703 58.000 0.059 0.000 1.276 252 F CB -1.215 37.816 39.000 0.052 0.000 1.021 252 F HN 0.260 nan 8.300 nan 0.000 0.493 253 N N 0.827 119.665 118.700 0.230 0.000 3.124 253 N HA 0.255 4.986 4.740 -0.014 0.000 0.284 253 N C 0.486 176.052 175.510 0.093 0.000 1.209 253 N CA 0.008 53.136 53.050 0.130 0.000 1.149 253 N CB 0.095 38.641 38.487 0.099 0.000 1.434 253 N HN 0.092 nan 8.380 nan 0.000 0.529 254 L N 0.447 121.736 121.223 0.110 0.000 1.374 254 L HA -0.161 4.171 4.340 -0.014 0.000 0.096 254 L C -0.319 176.637 176.870 0.144 0.000 1.675 254 L CA 0.903 55.805 54.840 0.103 0.000 1.129 254 L CB -0.907 41.208 42.059 0.094 0.000 1.859 254 L HN 0.415 nan 8.230 nan 0.000 0.414 255 K N 1.297 121.763 120.400 0.111 0.000 3.277 255 K HA 0.195 4.506 4.320 -0.014 0.000 0.280 255 K C -0.110 176.603 176.600 0.189 0.000 1.182 255 K CA 0.221 56.569 56.287 0.102 0.000 1.219 255 K CB -0.216 32.253 32.500 -0.052 0.000 1.373 255 K HN 0.181 nan 8.250 nan 0.000 0.392 256 D N 2.264 122.885 120.400 0.368 0.000 2.479 256 D HA 0.074 4.705 4.640 -0.014 0.000 0.247 256 D C -0.499 175.980 176.300 0.298 0.000 1.119 256 D CA -0.753 53.546 54.000 0.498 0.000 0.922 256 D CB 0.191 41.269 40.800 0.463 0.000 1.014 256 D HN 0.296 nan 8.370 nan 0.000 0.510 257 F N 1.502 121.516 119.950 0.106 0.000 2.373 257 F HA 0.416 4.934 4.527 -0.014 0.000 0.302 257 F C 0.634 176.470 175.800 0.059 0.000 1.247 257 F CA -1.458 56.583 58.000 0.068 0.000 1.169 257 F CB -0.057 38.968 39.000 0.042 0.000 1.309 257 F HN 0.332 nan 8.300 nan 0.000 0.537 258 N N -0.570 117.993 118.700 -0.228 0.000 3.383 258 N HA 0.046 4.777 4.740 -0.014 0.000 0.251 258 N C -1.773 173.662 175.510 -0.125 0.000 1.104 258 N CA 0.553 53.430 53.050 -0.287 0.000 0.677 258 N CB -0.927 37.222 38.487 -0.564 0.000 1.140 258 N HN 0.896 nan 8.380 nan 0.000 0.579 259 V N -2.448 117.447 119.914 -0.031 0.000 3.494 259 V HA 0.093 4.204 4.120 -0.014 0.000 0.500 259 V C 1.255 177.342 176.094 -0.012 0.000 0.682 259 V CA 1.071 63.368 62.300 -0.006 0.000 2.050 259 V CB -1.050 30.763 31.823 -0.017 0.000 2.483 259 V HN 0.848 nan 8.190 nan 0.000 0.507 260 G N 0.839 109.644 108.800 0.008 0.000 4.366 260 G HA2 0.719 4.671 3.960 -0.014 0.000 0.194 260 G HA3 0.719 4.671 3.960 -0.014 0.000 0.194 260 G C 0.749 175.660 174.900 0.018 0.000 1.275 260 G CA 1.226 46.329 45.100 0.006 0.000 0.847 260 G HN 3.006 nan 8.290 nan 0.000 0.299 261 G N -1.237 107.586 108.800 0.038 0.000 2.312 261 G HA2 0.418 4.369 3.960 -0.014 0.000 0.322 261 G HA3 0.418 4.369 3.960 -0.014 0.000 0.322 261 G C -0.167 174.776 174.900 0.071 0.000 1.645 261 G CA 0.280 45.414 45.100 0.057 0.000 0.919 261 G HN 1.217 nan 8.290 nan 0.000 0.699 262 Y N 2.951 123.265 120.300 0.023 0.000 2.114 262 Y HA -0.051 4.491 4.550 -0.014 0.000 0.284 262 Y C 2.515 178.430 175.900 0.024 0.000 1.143 262 Y CA 2.224 60.340 58.100 0.027 0.000 1.135 262 Y CB 0.003 38.478 38.460 0.024 0.000 0.980 262 Y HN 0.464 nan 8.280 nan 0.000 0.499 263 I N 0.430 120.921 120.570 -0.132 0.000 2.127 263 I HA -0.309 3.852 4.170 -0.014 0.000 0.241 263 I C 2.410 178.431 176.117 -0.159 0.000 1.075 263 I CA 1.514 62.707 61.300 -0.178 0.000 1.334 263 I CB -1.335 36.663 38.000 -0.003 0.000 1.040 263 I HN 0.358 nan 8.210 nan 0.000 0.405 264 Q N 0.602 120.355 119.800 -0.079 0.000 2.077 264 Q HA -0.187 4.144 4.340 -0.014 0.000 0.206 264 Q C 2.366 178.321 176.000 -0.073 0.000 0.989 264 Q CA 2.095 57.864 55.803 -0.057 0.000 0.853 264 Q CB -0.459 28.264 28.738 -0.024 0.000 0.907 264 Q HN 0.556 nan 8.270 nan 0.000 0.418 265 A N -0.137 122.629 122.820 -0.090 0.000 1.917 265 A HA -0.161 4.150 4.320 -0.014 0.000 0.219 265 A C 2.408 179.926 177.584 -0.110 0.000 1.182 265 A CA 1.848 53.838 52.037 -0.078 0.000 0.633 265 A CB -0.692 18.271 19.000 -0.061 0.000 0.819 265 A HN 0.247 nan 8.150 nan 0.000 0.448 266 V N -0.067 119.718 119.914 -0.214 0.000 2.453 266 V HA -0.175 3.936 4.120 -0.014 0.000 0.247 266 V C 2.475 178.508 176.094 -0.101 0.000 1.048 266 V CA 1.660 63.849 62.300 -0.185 0.000 1.049 266 V CB -0.563 31.076 31.823 -0.306 0.000 0.672 266 V HN 0.562 nan 8.190 nan 0.000 0.457 267 L N -0.362 120.806 121.223 -0.091 0.000 2.156 267 L HA -0.098 4.233 4.340 -0.014 0.000 0.208 267 L C 1.874 178.727 176.870 -0.029 0.000 1.095 267 L CA 1.117 55.928 54.840 -0.048 0.000 0.770 267 L CB -0.594 41.440 42.059 -0.042 0.000 0.914 267 L HN 0.320 nan 8.230 nan 0.000 0.439 268 D N -0.045 120.336 120.400 -0.031 0.000 2.363 268 D HA -0.057 4.574 4.640 -0.014 0.000 0.226 268 D C 2.092 178.389 176.300 -0.005 0.000 1.020 268 D CA 0.366 54.356 54.000 -0.016 0.000 0.892 268 D CB 0.030 40.820 40.800 -0.017 0.000 0.900 268 D HN 0.199 nan 8.370 nan 0.000 0.531 269 R N 0.429 120.925 120.500 -0.006 0.000 2.120 269 R HA -0.005 4.326 4.340 -0.014 0.000 0.234 269 R C 0.394 176.705 176.300 0.019 0.000 1.123 269 R CA 0.606 56.712 56.100 0.011 0.000 0.975 269 R CB -0.041 30.265 30.300 0.009 0.000 0.866 269 R HN 0.091 nan 8.270 nan 0.000 0.446 270 N N 1.065 119.773 118.700 0.015 0.000 2.895 270 N HA 0.029 4.760 4.740 -0.014 0.000 0.277 270 N C -0.061 175.457 175.510 0.013 0.000 1.185 270 N CA 0.380 53.443 53.050 0.022 0.000 1.106 270 N CB 1.316 39.819 38.487 0.026 0.000 1.422 270 N HN 0.080 nan 8.380 nan 0.000 0.521 271 L N 0.196 121.424 121.223 0.009 0.000 1.589 271 L HA 0.178 4.510 4.340 -0.014 0.000 0.161 271 L C 1.817 178.680 176.870 -0.012 0.000 1.300 271 L CA 0.508 55.347 54.840 -0.001 0.000 1.196 271 L CB -0.787 41.270 42.059 -0.004 0.000 2.497 271 L HN 0.263 nan 8.230 nan 0.000 0.492 272 A N -0.264 122.557 122.820 0.001 0.000 1.929 272 A HA -0.095 4.216 4.320 -0.014 0.000 0.216 272 A C 1.732 179.305 177.584 -0.018 0.000 1.176 272 A CA 1.702 53.738 52.037 -0.003 0.000 0.628 272 A CB -0.347 18.680 19.000 0.044 0.000 0.816 272 A HN 0.522 nan 8.150 nan 0.000 0.444 273 E N 0.014 120.220 120.200 0.010 0.000 2.481 273 E HA -0.043 4.299 4.350 -0.014 0.000 0.195 273 E C 0.808 177.418 176.600 0.017 0.000 1.047 273 E CA 0.026 56.439 56.400 0.022 0.000 0.867 273 E CB -0.098 29.634 29.700 0.053 0.000 0.858 273 E HN 0.437 nan 8.360 nan 0.000 0.513 274 N N 0.954 119.659 118.700 0.007 0.000 2.459 274 N HA -0.036 4.696 4.740 -0.014 0.000 0.181 274 N C 1.556 177.073 175.510 0.012 0.000 1.046 274 N CA 0.493 53.561 53.050 0.030 0.000 0.904 274 N CB 0.048 38.549 38.487 0.024 0.000 0.964 274 N HN 0.258 nan 8.380 nan 0.000 0.444 275 I N 0.275 120.794 120.570 -0.084 0.000 2.264 275 I HA -0.219 3.942 4.170 -0.014 0.000 0.248 275 I C 1.116 177.182 176.117 -0.084 0.000 1.111 275 I CA 1.113 62.315 61.300 -0.164 0.000 1.382 275 I CB -0.114 37.620 38.000 -0.444 0.000 1.060 275 I HN 0.103 nan 8.210 nan 0.000 0.418 276 S N -0.487 115.187 115.700 -0.043 0.000 2.574 276 S HA 0.199 4.660 4.470 -0.014 0.000 0.242 276 S C 1.442 176.196 174.600 0.257 0.000 0.982 276 S CA -0.583 57.687 58.200 0.117 0.000 0.977 276 S CB 0.134 63.403 63.200 0.114 0.000 0.814 276 S HN 0.298 nan 8.310 nan 0.000 0.464 277 R N 0.592 121.240 120.500 0.247 0.000 2.093 277 R HA 0.274 4.605 4.340 -0.014 0.000 0.224 277 R C 0.177 176.722 176.300 0.409 0.000 1.101 277 R CA 0.891 57.172 56.100 0.301 0.000 0.979 277 R CB 0.197 30.648 30.300 0.250 0.000 0.877 277 R HN 0.379 nan 8.270 nan 0.000 0.441 278 V N 0.771 120.893 119.914 0.346 0.000 2.851 278 V HA 0.283 4.394 4.120 -0.014 0.000 0.307 278 V C -1.427 174.616 176.094 -0.085 0.000 1.129 278 V CA -1.193 61.219 62.300 0.187 0.000 0.932 278 V CB 1.831 33.721 31.823 0.111 0.000 1.024 278 V HN 0.116 nan 8.190 nan 0.000 0.426 279 L N 6.600 127.530 121.223 -0.489 0.000 2.416 279 L HA 0.452 4.784 4.340 -0.014 0.000 0.272 279 L C -0.838 175.891 176.870 -0.235 0.000 1.161 279 L CA 0.471 54.840 54.840 -0.785 0.000 0.845 279 L CB 0.503 42.054 42.059 -0.847 0.000 1.119 279 L HN 0.689 nan 8.230 nan 0.000 0.464 280 Y N 6.397 126.620 120.300 -0.127 0.000 2.496 280 Y HA 0.201 4.742 4.550 -0.014 0.000 0.334 280 Y C -1.387 174.512 175.900 -0.001 0.000 1.080 280 Y CA -1.370 56.722 58.100 -0.013 0.000 1.355 280 Y CB 0.331 38.804 38.460 0.022 0.000 1.193 280 Y HN 0.552 nan 8.280 nan 0.000 0.523 281 P HA 0.005 nan 4.420 nan 0.000 0.253 281 P C -1.163 176.269 177.300 0.220 0.000 1.508 281 P CA 0.188 63.393 63.100 0.176 0.000 0.883 281 P CB -0.159 31.728 31.700 0.311 0.000 1.519 282 N N 0.876 119.716 118.700 0.233 0.000 2.400 282 N HA 0.224 4.956 4.740 -0.014 0.000 0.288 282 N C -0.713 174.946 175.510 0.249 0.000 1.024 282 N CA -0.665 52.549 53.050 0.273 0.000 0.894 282 N CB 1.380 40.079 38.487 0.354 0.000 1.173 282 N HN -0.008 nan 8.380 nan 0.000 0.487 283 D N 2.426 122.998 120.400 0.288 0.000 2.381 283 D HA 0.118 4.750 4.640 -0.014 0.000 0.235 283 D C -0.578 176.007 176.300 0.475 0.000 1.068 283 D CA -0.227 53.972 54.000 0.332 0.000 0.832 283 D CB 0.443 41.442 40.800 0.332 0.000 1.101 283 D HN 0.526 nan 8.370 nan 0.000 0.515 284 N N 3.017 121.931 118.700 0.355 0.000 2.726 284 N HA -0.242 4.490 4.740 -0.014 0.000 0.253 284 N C -1.341 174.416 175.510 0.412 0.000 1.059 284 N CA 0.601 53.832 53.050 0.301 0.000 0.701 284 N CB -1.036 37.558 38.487 0.178 0.000 0.899 284 N HN 0.419 nan 8.380 nan 0.000 0.548 285 F N 1.253 121.306 119.950 0.172 0.000 2.683 285 F HA 0.340 4.858 4.527 -0.014 0.000 0.333 285 F C -1.639 174.241 175.800 0.134 0.000 1.160 285 F CA -1.207 56.864 58.000 0.119 0.000 1.099 285 F CB 0.531 39.566 39.000 0.058 0.000 1.344 285 F HN -0.004 nan 8.300 nan 0.000 0.534 286 F N 6.362 125.850 119.950 -0.769 0.000 2.411 286 F HA 0.519 5.038 4.527 -0.014 0.000 0.355 286 F C -0.290 174.994 175.800 -0.859 0.000 1.117 286 F CA -0.126 57.483 58.000 -0.652 0.000 1.139 286 F CB 0.746 39.450 39.000 -0.494 0.000 1.120 286 F HN 0.442 nan 8.300 nan 0.000 0.493 287 E N 4.221 123.791 120.200 -1.050 0.000 2.134 287 E HA 0.242 4.583 4.350 -0.014 0.000 0.278 287 E C 0.076 175.912 176.600 -1.273 0.000 0.959 287 E CA -0.498 55.372 56.400 -0.882 0.000 0.783 287 E CB 1.570 31.098 29.700 -0.288 0.000 1.095 287 E HN 0.935 nan 8.360 nan 0.000 0.399 288 G N 3.580 111.637 108.800 -1.237 0.000 3.541 288 G HA2 0.039 3.991 3.960 -0.014 0.000 0.253 288 G HA3 0.039 3.991 3.960 -0.014 0.000 0.253 288 G C 0.249 175.065 174.900 -0.140 0.000 1.017 288 G CA -0.212 44.310 45.100 -0.964 0.000 1.832 288 G HN 0.050 nan 8.290 nan 0.000 0.649 289 K N 0.238 120.617 120.400 -0.036 0.000 2.143 289 K HA 0.236 4.547 4.320 -0.014 0.000 0.272 289 K C 1.216 177.948 176.600 0.221 0.000 1.001 289 K CA -0.853 55.506 56.287 0.121 0.000 0.915 289 K CB 1.750 34.328 32.500 0.131 0.000 1.047 289 K HN 0.329 nan 8.250 nan 0.000 0.458 290 E N 1.876 122.162 120.200 0.143 0.000 2.051 290 E HA -0.212 4.130 4.350 -0.014 0.000 0.192 290 E C 1.478 178.084 176.600 0.011 0.000 0.991 290 E CA 1.048 57.475 56.400 0.045 0.000 0.799 290 E CB 0.068 29.796 29.700 0.046 0.000 0.748 290 E HN 0.437 nan 8.360 nan 0.000 0.449 291 L N 1.560 122.831 121.223 0.079 0.000 2.089 291 L HA -0.226 4.105 4.340 -0.014 0.000 0.213 291 L C 2.417 179.353 176.870 0.110 0.000 1.079 291 L CA 1.730 56.633 54.840 0.105 0.000 0.758 291 L CB -0.541 41.649 42.059 0.219 0.000 0.891 291 L HN 0.059 nan 8.230 nan 0.000 0.433 292 R N -0.523 120.000 120.500 0.038 0.000 2.073 292 R HA -0.133 4.198 4.340 -0.014 0.000 0.234 292 R C 2.248 178.568 176.300 0.033 0.000 1.134 292 R CA 1.885 57.930 56.100 -0.092 0.000 0.952 292 R CB -1.173 28.992 30.300 -0.225 0.000 0.850 292 R HN 0.449 nan 8.270 nan 0.000 0.433 293 L N 1.464 122.614 121.223 -0.121 0.000 2.083 293 L HA -0.110 4.221 4.340 -0.014 0.000 0.209 293 L C 1.985 178.763 176.870 -0.154 0.000 1.083 293 L CA 1.856 56.418 54.840 -0.463 0.000 0.752 293 L CB -0.375 41.062 42.059 -1.038 0.000 0.899 293 L HN 0.038 nan 8.230 nan 0.000 0.433 294 K N -0.991 119.358 120.400 -0.085 0.000 2.057 294 K HA -0.199 4.113 4.320 -0.014 0.000 0.207 294 K C 2.108 178.806 176.600 0.163 0.000 1.049 294 K CA 1.800 58.084 56.287 -0.006 0.000 0.931 294 K CB -0.167 32.181 32.500 -0.253 0.000 0.714 294 K HN 0.489 nan 8.250 nan 0.000 0.440 295 Q N 0.471 120.353 119.800 0.136 0.000 2.084 295 Q HA -0.199 4.133 4.340 -0.014 0.000 0.202 295 Q C 1.946 178.115 176.000 0.282 0.000 0.978 295 Q CA 1.495 57.439 55.803 0.235 0.000 0.844 295 Q CB -0.011 28.887 28.738 0.268 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.280 120.041 120.200 0.202 0.000 2.072 296 E HA -0.202 4.139 4.350 -0.014 0.000 0.191 296 E C 1.739 178.444 176.600 0.176 0.000 0.985 296 E CA 0.970 57.480 56.400 0.184 0.000 0.801 296 E CB -0.120 29.663 29.700 0.138 0.000 0.750 296 E HN 0.310 nan 8.360 nan 0.000 0.452 297 Y N 0.545 120.883 120.300 0.064 0.000 2.163 297 Y HA -0.222 4.319 4.550 -0.014 0.000 0.288 297 Y C 1.994 177.952 175.900 0.096 0.000 1.136 297 Y CA 1.273 59.385 58.100 0.019 0.000 1.147 297 Y CB -0.519 37.946 38.460 0.009 0.000 0.987 297 Y HN 0.045 nan 8.280 nan 0.000 0.509 298 F N -0.237 119.705 119.950 -0.012 0.000 2.120 298 F HA -0.229 4.289 4.527 -0.014 0.000 0.300 298 F C 2.410 178.059 175.800 -0.251 0.000 1.095 298 F CA 2.023 59.945 58.000 -0.130 0.000 1.249 298 F CB -0.857 38.238 39.000 0.157 0.000 0.995 298 F HN -0.051 nan 8.300 nan 0.000 0.480 299 V N -0.397 119.473 119.914 -0.074 0.000 2.548 299 V HA -0.134 3.977 4.120 -0.014 0.000 0.249 299 V C 2.017 177.959 176.094 -0.254 0.000 1.055 299 V CA 1.778 63.980 62.300 -0.163 0.000 1.065 299 V CB -0.356 31.584 31.823 0.196 0.000 0.681 299 V HN 0.263 nan 8.190 nan 0.000 0.462 300 V N 0.751 120.523 119.914 -0.236 0.000 2.270 300 V HA -0.127 3.984 4.120 -0.014 0.000 0.245 300 V C 2.915 178.762 176.094 -0.411 0.000 1.043 300 V CA 2.101 64.251 62.300 -0.250 0.000 1.014 300 V CB -1.164 30.573 31.823 -0.143 0.000 0.645 300 V HN 0.650 nan 8.190 nan 0.000 0.447 301 A N 0.098 122.517 122.820 -0.669 0.000 1.851 301 A HA -0.186 4.126 4.320 -0.014 0.000 0.216 301 A C 2.434 179.662 177.584 -0.593 0.000 1.195 301 A CA 2.486 54.118 52.037 -0.675 0.000 0.622 301 A CB -1.059 17.294 19.000 -1.078 0.000 0.831 301 A HN 0.580 nan 8.150 nan 0.000 0.444 302 A N -1.227 121.082 122.820 -0.851 0.000 1.883 302 A HA -0.112 4.199 4.320 -0.014 0.000 0.217 302 A C 2.322 179.405 177.584 -0.834 0.000 1.186 302 A CA 2.450 53.796 52.037 -1.151 0.000 0.624 302 A CB -1.453 16.276 19.000 -2.119 0.000 0.822 302 A HN 0.453 nan 8.150 nan 0.000 0.444 303 T N 0.249 114.448 114.554 -0.591 0.000 2.720 303 T HA -0.114 4.228 4.350 -0.014 0.000 0.268 303 T C 1.781 176.226 174.700 -0.424 0.000 1.037 303 T CA 1.517 63.369 62.100 -0.413 0.000 1.144 303 T CB -0.346 68.238 68.868 -0.474 0.000 0.864 303 T HN 0.337 nan 8.240 nan 0.000 0.444 304 L N 0.502 121.520 121.223 -0.341 0.000 2.141 304 L HA -0.085 4.246 4.340 -0.014 0.000 0.209 304 L C 2.866 179.631 176.870 -0.175 0.000 1.094 304 L CA 1.143 55.836 54.840 -0.245 0.000 0.763 304 L CB -0.379 41.567 42.059 -0.188 0.000 0.908 304 L HN 0.325 nan 8.230 nan 0.000 0.437 305 Q N -0.607 119.084 119.800 -0.181 0.000 2.084 305 Q HA -0.254 4.077 4.340 -0.014 0.000 0.202 305 Q C 1.647 177.621 176.000 -0.043 0.000 0.978 305 Q CA 1.778 57.522 55.803 -0.098 0.000 0.844 305 Q CB -0.087 28.583 28.738 -0.114 0.000 0.898 305 Q HN 0.398 nan 8.270 nan 0.000 0.426 306 D N 0.362 120.733 120.400 -0.047 0.000 2.178 306 D HA -0.071 4.560 4.640 -0.014 0.000 0.202 306 D C 1.632 177.885 176.300 -0.079 0.000 0.974 306 D CA 0.718 54.730 54.000 0.020 0.000 0.841 306 D CB 0.071 40.988 40.800 0.194 0.000 0.953 306 D HN 0.156 nan 8.370 nan 0.000 0.478 307 I N 0.092 120.525 120.570 -0.227 0.000 2.163 307 I HA -0.212 3.949 4.170 -0.014 0.000 0.240 307 I C 2.317 178.432 176.117 -0.004 0.000 1.081 307 I CA 0.752 61.845 61.300 -0.345 0.000 1.353 307 I CB -0.155 37.517 38.000 -0.547 0.000 1.054 307 I HN 0.055 nan 8.210 nan 0.000 0.407 308 I N 0.150 120.789 120.570 0.114 0.000 2.252 308 I HA -0.284 3.878 4.170 -0.014 0.000 0.245 308 I C 2.821 179.083 176.117 0.241 0.000 1.102 308 I CA 1.054 62.539 61.300 0.308 0.000 1.385 308 I CB -0.444 37.687 38.000 0.219 0.000 1.064 308 I HN 0.251 nan 8.210 nan 0.000 0.414 309 R N 1.136 121.711 120.500 0.126 0.000 2.097 309 R HA -0.213 4.118 4.340 -0.014 0.000 0.236 309 R C 2.455 178.811 176.300 0.094 0.000 1.135 309 R CA 1.793 57.951 56.100 0.097 0.000 0.934 309 R CB -0.286 30.054 30.300 0.066 0.000 0.846 309 R HN 0.263 nan 8.270 nan 0.000 0.431 310 R N -0.679 119.869 120.500 0.080 0.000 2.096 310 R HA -0.205 4.127 4.340 -0.014 0.000 0.240 310 R C 2.267 178.647 176.300 0.134 0.000 1.139 310 R CA 2.065 58.223 56.100 0.096 0.000 0.952 310 R CB -0.522 29.829 30.300 0.085 0.000 0.854 310 R HN 0.250 nan 8.270 nan 0.000 0.436 311 F N 1.712 121.676 119.950 0.024 0.000 2.171 311 F HA -0.166 4.352 4.527 -0.014 0.000 0.300 311 F C 1.799 177.573 175.800 -0.044 0.000 1.090 311 F CA 1.548 59.528 58.000 -0.033 0.000 1.293 311 F CB 0.013 38.986 39.000 -0.045 0.000 1.013 311 F HN -0.158 nan 8.300 nan 0.000 0.486 312 K N -0.270 120.076 120.400 -0.090 0.000 2.288 312 K HA -0.063 4.248 4.320 -0.014 0.000 0.201 312 K C 2.066 178.604 176.600 -0.102 0.000 1.048 312 K CA 1.060 57.244 56.287 -0.173 0.000 0.956 312 K CB -0.056 32.447 32.500 0.005 0.000 0.746 312 K HN 0.245 nan 8.250 nan 0.000 0.461 313 S N 0.177 115.866 115.700 -0.019 0.000 2.310 313 S HA -0.064 4.397 4.470 -0.014 0.000 0.201 313 S C 1.130 175.749 174.600 0.032 0.000 1.032 313 S CA 0.321 58.546 58.200 0.041 0.000 0.993 313 S CB -0.227 63.042 63.200 0.115 0.000 0.970 313 S HN 0.332 nan 8.310 nan 0.000 0.446 314 S N 0.471 116.212 115.700 0.068 0.000 3.687 314 S HA -0.255 4.206 4.470 -0.014 0.000 0.619 314 S C 0.589 175.203 174.600 0.023 0.000 2.483 314 S CA 1.781 60.032 58.200 0.085 0.000 4.088 314 S CB -0.828 62.448 63.200 0.128 0.000 0.326 314 S HN 0.464 nan 8.310 nan 0.000 0.982 315 K N 0.033 120.418 120.400 -0.025 0.000 2.414 315 K HA 0.462 4.773 4.320 -0.014 0.000 0.204 315 K C 1.016 177.397 176.600 -0.365 0.000 1.026 315 K CA 0.165 56.322 56.287 -0.215 0.000 1.108 315 K CB -0.110 32.228 32.500 -0.271 0.000 0.855 315 K HN 0.361 nan 8.250 nan 0.000 0.517 316 F N -0.337 119.492 119.950 -0.200 0.000 2.188 316 F HA 0.163 4.681 4.527 -0.014 0.000 0.289 316 F C 1.770 177.469 175.800 -0.168 0.000 1.082 316 F CA 0.573 58.439 58.000 -0.224 0.000 1.282 316 F CB -0.370 38.380 39.000 -0.417 0.000 1.060 316 F HN 0.000 nan 8.300 nan 0.000 0.493 317 G N -1.147 107.671 108.800 0.031 0.000 3.213 317 G HA2 0.348 4.299 3.960 -0.014 0.000 0.263 317 G HA3 0.348 4.299 3.960 -0.014 0.000 0.263 317 G C -0.182 174.715 174.900 -0.006 0.000 0.829 317 G CA 0.290 45.393 45.100 0.004 0.000 1.983 317 G HN 0.471 nan 8.290 nan 0.000 0.616 318 C N -0.457 118.824 119.300 -0.032 0.000 3.641 318 C HA 0.204 4.655 4.460 -0.014 0.000 0.295 318 C C 1.301 176.252 174.990 -0.066 0.000 2.095 318 C CA 0.623 59.612 59.018 -0.050 0.000 1.576 318 C CB 0.134 27.828 27.740 -0.077 0.000 1.715 318 C HN 0.636 nan 8.230 nan 0.000 0.573 319 R N 0.883 121.315 120.500 -0.114 0.000 5.635 319 R HA 0.296 4.627 4.340 -0.014 0.000 0.086 319 R C 0.505 176.694 176.300 -0.185 0.000 0.868 319 R CA 1.288 57.319 56.100 -0.114 0.000 0.902 319 R CB -1.007 29.234 30.300 -0.099 0.000 1.226 319 R HN 0.338 nan 8.270 nan 0.000 0.385 320 D N 0.535 120.767 120.400 -0.281 0.000 4.344 320 D HA -0.183 4.448 4.640 -0.014 0.000 0.144 320 D C -1.344 174.840 176.300 -0.194 0.000 0.730 320 D CA 2.753 56.518 54.000 -0.392 0.000 1.156 320 D CB -1.943 38.257 40.800 -1.001 0.000 0.570 320 D HN 0.389 nan 8.370 nan 0.000 0.533 321 P HA 0.222 nan 4.420 nan 0.000 0.217 321 P C 0.005 177.298 177.300 -0.011 0.000 1.154 321 P CA 0.884 63.970 63.100 -0.023 0.000 0.841 321 P CB 0.434 32.155 31.700 0.036 0.000 0.788 322 V N -0.854 119.063 119.914 0.005 0.000 3.233 322 V HA -0.109 4.002 4.120 -0.014 0.000 0.449 322 V C -0.782 175.336 176.094 0.039 0.000 0.681 322 V CA 0.505 62.815 62.300 0.016 0.000 1.970 322 V CB -1.069 30.751 31.823 -0.005 0.000 2.439 322 V HN 0.479 nan 8.190 nan 0.000 0.492 323 R N 2.990 123.524 120.500 0.057 0.000 4.162 323 R HA 0.309 4.641 4.340 -0.014 0.000 0.260 323 R C -0.563 175.778 176.300 0.069 0.000 0.964 323 R CA 0.178 56.316 56.100 0.063 0.000 1.072 323 R CB 0.590 30.932 30.300 0.071 0.000 1.259 323 R HN 0.581 nan 8.270 nan 0.000 0.593 324 T N 2.640 117.226 114.554 0.054 0.000 3.176 324 T HA 0.233 4.575 4.350 -0.014 0.000 0.301 324 T C -0.249 174.457 174.700 0.011 0.000 1.115 324 T CA -0.202 61.882 62.100 -0.027 0.000 1.027 324 T CB -0.556 68.308 68.868 -0.008 0.000 1.063 324 T HN 0.324 nan 8.240 nan 0.000 0.669 325 N N 1.753 120.470 118.700 0.029 0.000 2.415 325 N HA 0.259 4.990 4.740 -0.014 0.000 0.246 325 N C 0.275 175.814 175.510 0.048 0.000 1.078 325 N CA -0.411 52.703 53.050 0.107 0.000 0.942 325 N CB 0.377 38.956 38.487 0.153 0.000 1.140 325 N HN 0.405 nan 8.380 nan 0.000 0.501 326 F N 0.784 120.797 119.950 0.106 0.000 2.771 326 F HA -0.053 4.466 4.527 -0.014 0.000 0.299 326 F C 1.720 177.535 175.800 0.024 0.000 1.177 326 F CA 0.419 58.442 58.000 0.038 0.000 1.450 326 F CB 0.105 39.033 39.000 -0.120 0.000 1.114 326 F HN 0.567 nan 8.300 nan 0.000 0.587 327 D N 0.281 120.789 120.400 0.180 0.000 2.158 327 D HA -0.199 4.432 4.640 -0.014 0.000 0.197 327 D C 2.139 178.515 176.300 0.127 0.000 0.995 327 D CA 1.473 55.554 54.000 0.135 0.000 0.846 327 D CB -0.016 40.862 40.800 0.129 0.000 0.941 327 D HN 0.333 nan 8.370 nan 0.000 0.456 328 A N -0.173 122.744 122.820 0.161 0.000 2.251 328 A HA 0.033 4.345 4.320 -0.014 0.000 0.209 328 A C 1.582 179.170 177.584 0.006 0.000 1.187 328 A CA -0.286 51.857 52.037 0.176 0.000 0.823 328 A CB -0.547 18.702 19.000 0.416 0.000 0.846 328 A HN 0.122 nan 8.150 nan 0.000 0.486 329 F N 1.970 121.691 119.950 -0.381 0.000 2.095 329 F HA -0.071 4.448 4.527 -0.014 0.000 0.298 329 F C -0.887 174.714 175.800 -0.332 0.000 1.104 329 F CA 2.023 59.553 58.000 -0.783 0.000 1.232 329 F CB -0.647 38.000 39.000 -0.588 0.000 0.987 329 F HN 0.193 nan 8.300 nan 0.000 0.475 330 P HA -0.077 nan 4.420 nan 0.000 0.223 330 P C 0.594 177.844 177.300 -0.083 0.000 1.151 330 P CA 1.401 64.453 63.100 -0.081 0.000 0.787 330 P CB -0.007 31.673 31.700 -0.034 0.000 0.788 331 D N -1.154 119.220 120.400 -0.043 0.000 2.339 331 D HA 0.021 4.653 4.640 -0.014 0.000 0.217 331 D C 1.382 177.693 176.300 0.019 0.000 1.050 331 D CA 0.618 54.624 54.000 0.011 0.000 0.856 331 D CB 0.208 41.047 40.800 0.065 0.000 0.922 331 D HN 0.126 nan 8.370 nan 0.000 0.518 332 K N -0.177 120.193 120.400 -0.050 0.000 2.464 332 K HA 0.217 4.529 4.320 -0.014 0.000 0.206 332 K C 0.053 176.561 176.600 -0.152 0.000 1.186 332 K CA 0.135 56.410 56.287 -0.021 0.000 0.990 332 K CB 2.292 34.881 32.500 0.147 0.000 1.003 332 K HN -0.086 nan 8.250 nan 0.000 0.562 333 V N 1.240 120.965 119.914 -0.315 0.000 2.577 333 V HA 0.628 4.740 4.120 -0.014 0.000 0.303 333 V C -1.037 174.966 176.094 -0.150 0.000 1.042 333 V CA -1.340 60.778 62.300 -0.303 0.000 0.872 333 V CB 1.748 33.087 31.823 -0.807 0.000 0.998 333 V HN 0.119 nan 8.190 nan 0.000 0.423 334 A N 5.770 128.554 122.820 -0.060 0.000 2.304 334 A HA 0.928 5.240 4.320 -0.014 0.000 0.314 334 A C -0.760 176.858 177.584 0.056 0.000 1.187 334 A CA -0.496 51.547 52.037 0.010 0.000 0.810 334 A CB 0.981 19.926 19.000 -0.091 0.000 1.183 334 A HN 1.214 nan 8.150 nan 0.000 0.487 335 I N 0.448 121.108 120.570 0.149 0.000 2.406 335 I HA 0.704 4.865 4.170 -0.014 0.000 0.290 335 I C -0.648 175.590 176.117 0.203 0.000 0.999 335 I CA -0.597 60.809 61.300 0.177 0.000 1.124 335 I CB 1.899 39.982 38.000 0.138 0.000 1.289 335 I HN 0.515 nan 8.210 nan 0.000 0.441 336 Q N 5.634 125.562 119.800 0.214 0.000 2.278 336 Q HA 0.531 4.863 4.340 -0.014 0.000 0.257 336 Q C -1.604 174.456 176.000 0.100 0.000 0.928 336 Q CA -0.451 55.521 55.803 0.282 0.000 0.932 336 Q CB 1.563 30.609 28.738 0.513 0.000 1.221 336 Q HN 0.757 nan 8.270 nan 0.000 0.434 337 L N 4.207 125.510 121.223 0.133 0.000 2.255 337 L HA 0.346 4.678 4.340 -0.014 0.000 0.289 337 L C -0.341 176.585 176.870 0.092 0.000 1.046 337 L CA -0.254 54.638 54.840 0.087 0.000 0.816 337 L CB 0.618 42.757 42.059 0.135 0.000 1.197 337 L HN 0.615 nan 8.230 nan 0.000 0.427 338 N N 3.954 122.622 118.700 -0.053 0.000 2.448 338 N HA 0.146 4.878 4.740 -0.014 0.000 0.250 338 N C -0.157 175.373 175.510 0.032 0.000 1.136 338 N CA 0.478 53.538 53.050 0.017 0.000 0.953 338 N CB -0.072 38.308 38.487 -0.179 0.000 1.251 338 N HN 0.550 nan 8.380 nan 0.000 0.502 339 D N -0.070 120.449 120.400 0.198 0.000 4.808 339 D HA -0.216 4.416 4.640 -0.014 0.000 0.304 339 D C 0.251 176.586 176.300 0.059 0.000 2.360 339 D CA 1.443 55.522 54.000 0.131 0.000 1.222 339 D CB -0.451 40.139 40.800 -0.350 0.000 1.085 339 D HN 0.502 nan 8.370 nan 0.000 1.266 340 T N -2.137 112.395 114.554 -0.036 0.000 3.148 340 T HA 0.081 4.422 4.350 -0.014 0.000 0.253 340 T C 1.599 176.338 174.700 0.065 0.000 1.134 340 T CA 1.456 63.528 62.100 -0.047 0.000 1.051 340 T CB -0.526 68.290 68.868 -0.085 0.000 0.959 340 T HN 0.501 nan 8.240 nan 0.000 0.525 341 H N 2.414 121.559 119.070 0.124 0.000 2.387 341 H HA 0.010 4.557 4.556 -0.014 0.000 0.299 341 H C -0.694 174.709 175.328 0.126 0.000 1.090 341 H CA 0.844 56.981 56.048 0.149 0.000 1.332 341 H CB -0.749 29.099 29.762 0.143 0.000 1.386 341 H HN 0.419 nan 8.280 nan 0.000 0.516 342 P HA 0.065 nan 4.420 nan 0.000 0.249 342 P C 0.729 178.064 177.300 0.058 0.000 1.583 342 P CA 0.410 63.577 63.100 0.112 0.000 0.988 342 P CB 0.334 32.090 31.700 0.093 0.000 1.530 343 S N -0.295 115.428 115.700 0.039 0.000 2.440 343 S HA -0.133 4.329 4.470 -0.014 0.000 0.238 343 S C 1.719 176.320 174.600 0.001 0.000 1.010 343 S CA 0.687 58.874 58.200 -0.021 0.000 0.972 343 S CB -1.067 62.098 63.200 -0.060 0.000 0.774 343 S HN 0.015 nan 8.310 nan 0.000 0.501 344 L N 1.595 122.834 121.223 0.026 0.000 2.456 344 L HA 0.267 4.598 4.340 -0.014 0.000 0.224 344 L C 2.677 179.584 176.870 0.062 0.000 1.148 344 L CA 0.615 55.477 54.840 0.036 0.000 0.825 344 L CB -1.861 40.216 42.059 0.031 0.000 0.937 344 L HN 0.477 nan 8.230 nan 0.000 0.450 345 A N -0.387 122.450 122.820 0.027 0.000 1.978 345 A HA -0.189 4.123 4.320 -0.014 0.000 0.220 345 A C 2.305 179.886 177.584 -0.005 0.000 1.170 345 A CA 1.448 53.486 52.037 0.002 0.000 0.636 345 A CB -0.377 18.617 19.000 -0.009 0.000 0.810 345 A HN 0.387 nan 8.150 nan 0.000 0.448 346 I N 0.291 120.860 120.570 -0.002 0.000 2.110 346 I HA -0.130 4.031 4.170 -0.014 0.000 0.236 346 I C -0.294 175.838 176.117 0.025 0.000 1.068 346 I CA 1.419 62.713 61.300 -0.010 0.000 1.333 346 I CB -1.060 36.940 38.000 0.001 0.000 1.054 346 I HN 0.232 nan 8.210 nan 0.000 0.402 347 P HA -0.181 nan 4.420 nan 0.000 0.221 347 P C 1.243 178.546 177.300 0.005 0.000 1.150 347 P CA 1.551 64.685 63.100 0.056 0.000 0.800 347 P CB 0.066 31.818 31.700 0.088 0.000 0.787 348 E N 0.345 120.613 120.200 0.114 0.000 2.072 348 E HA -0.133 4.208 4.350 -0.014 0.000 0.190 348 E C 1.948 178.516 176.600 -0.054 0.000 0.982 348 E CA 0.625 57.094 56.400 0.114 0.000 0.803 348 E CB -1.233 28.605 29.700 0.230 0.000 0.755 348 E HN 0.015 nan 8.360 nan 0.000 0.453 349 L N -0.067 121.100 121.223 -0.092 0.000 2.141 349 L HA -0.077 4.254 4.340 -0.014 0.000 0.209 349 L C 2.027 178.744 176.870 -0.255 0.000 1.094 349 L CA 1.544 56.269 54.840 -0.191 0.000 0.763 349 L CB -0.434 41.520 42.059 -0.175 0.000 0.908 349 L HN 0.215 nan 8.230 nan 0.000 0.437 350 M N -0.813 118.661 119.600 -0.210 0.000 2.086 350 M HA -0.211 4.260 4.480 -0.014 0.000 0.261 350 M C 2.438 178.583 176.300 -0.259 0.000 1.067 350 M CA 1.555 56.697 55.300 -0.262 0.000 1.116 350 M CB -1.170 31.301 32.600 -0.214 0.000 1.348 350 M HN 0.306 nan 8.290 nan 0.000 0.407 351 R N -0.087 120.274 120.500 -0.233 0.000 2.094 351 R HA -0.152 4.180 4.340 -0.014 0.000 0.239 351 R C 2.121 178.305 176.300 -0.194 0.000 1.137 351 R CA 1.818 57.776 56.100 -0.237 0.000 0.943 351 R CB -0.295 29.796 30.300 -0.348 0.000 0.850 351 R HN 0.196 nan 8.270 nan 0.000 0.433 352 V N 1.417 121.214 119.914 -0.194 0.000 2.287 352 V HA -0.271 3.840 4.120 -0.014 0.000 0.248 352 V C 2.379 178.310 176.094 -0.272 0.000 1.053 352 V CA 1.833 64.016 62.300 -0.194 0.000 1.027 352 V CB -0.379 31.326 31.823 -0.197 0.000 0.646 352 V HN 0.361 nan 8.190 nan 0.000 0.447 353 L N -0.903 120.095 121.223 -0.375 0.000 2.056 353 L HA -0.109 4.223 4.340 -0.014 0.000 0.207 353 L C 2.383 179.081 176.870 -0.287 0.000 1.078 353 L CA 1.088 55.655 54.840 -0.456 0.000 0.749 353 L CB -0.639 41.095 42.059 -0.541 0.000 0.901 353 L HN 0.208 nan 8.230 nan 0.000 0.433 354 V N -0.429 119.354 119.914 -0.219 0.000 2.331 354 V HA -0.166 3.945 4.120 -0.014 0.000 0.242 354 V C 2.014 178.064 176.094 -0.073 0.000 1.034 354 V CA 1.605 63.835 62.300 -0.118 0.000 1.027 354 V CB -0.274 31.500 31.823 -0.082 0.000 0.667 354 V HN 0.326 nan 8.190 nan 0.000 0.457 355 D N 0.068 120.417 120.400 -0.085 0.000 2.123 355 D HA -0.046 4.586 4.640 -0.014 0.000 0.200 355 D C 2.028 178.293 176.300 -0.057 0.000 0.976 355 D CA 1.328 55.291 54.000 -0.061 0.000 0.831 355 D CB -0.007 40.749 40.800 -0.073 0.000 0.974 355 D HN 0.328 nan 8.370 nan 0.000 0.469 356 L N 0.119 121.294 121.223 -0.080 0.000 2.262 356 L HA 0.125 4.456 4.340 -0.014 0.000 0.197 356 L C 1.808 178.643 176.870 -0.059 0.000 1.073 356 L CA 0.462 55.267 54.840 -0.059 0.000 0.800 356 L CB -0.145 41.878 42.059 -0.059 0.000 0.987 356 L HN -0.185 nan 8.230 nan 0.000 0.470 357 E N 0.815 120.948 120.200 -0.112 0.000 2.502 357 E HA 0.016 4.358 4.350 -0.014 0.000 0.194 357 E C 0.063 176.629 176.600 -0.056 0.000 1.062 357 E CA -0.048 56.300 56.400 -0.088 0.000 0.867 357 E CB 0.183 29.741 29.700 -0.237 0.000 0.888 357 E HN 0.253 nan 8.360 nan 0.000 0.510 358 R N 0.107 120.569 120.500 -0.062 0.000 3.525 358 R HA -0.197 4.134 4.340 -0.014 0.000 0.276 358 R C -0.364 175.927 176.300 -0.016 0.000 1.116 358 R CA 0.286 56.371 56.100 -0.025 0.000 0.745 358 R CB -2.535 27.768 30.300 0.005 0.000 1.185 358 R HN 0.066 nan 8.270 nan 0.000 0.454 359 L N 1.795 122.983 121.223 -0.057 0.000 2.453 359 L HA 0.120 4.451 4.340 -0.014 0.000 0.261 359 L C 1.403 178.271 176.870 -0.003 0.000 1.179 359 L CA 0.273 55.092 54.840 -0.036 0.000 0.813 359 L CB 0.374 42.373 42.059 -0.100 0.000 1.110 359 L HN 0.133 nan 8.230 nan 0.000 0.466 360 D N -0.074 120.349 120.400 0.038 0.000 2.357 360 D HA -0.121 4.510 4.640 -0.014 0.000 0.242 360 D C 0.790 177.161 176.300 0.118 0.000 1.153 360 D CA -0.437 53.619 54.000 0.093 0.000 0.918 360 D CB 0.611 41.470 40.800 0.099 0.000 1.181 360 D HN 0.534 nan 8.370 nan 0.000 0.435 361 W N 1.146 122.453 121.300 0.011 0.000 2.302 361 W HA -0.214 4.438 4.660 -0.014 0.000 0.320 361 W C 1.951 178.519 176.519 0.082 0.000 1.241 361 W CA 1.962 59.322 57.345 0.024 0.000 1.264 361 W CB -0.147 29.307 29.460 -0.010 0.000 1.154 361 W HN 0.483 nan 8.180 nan 0.000 0.483 362 D N -0.654 119.961 120.400 0.358 0.000 2.178 362 D HA -0.167 4.464 4.640 -0.014 0.000 0.202 362 D C 2.029 178.441 176.300 0.186 0.000 0.974 362 D CA 1.049 55.235 54.000 0.310 0.000 0.841 362 D CB -0.330 40.621 40.800 0.252 0.000 0.953 362 D HN 0.126 nan 8.370 nan 0.000 0.478 363 K N 0.977 121.442 120.400 0.108 0.000 2.097 363 K HA -0.016 4.296 4.320 -0.014 0.000 0.205 363 K C 1.893 178.485 176.600 -0.012 0.000 1.050 363 K CA 0.606 56.926 56.287 0.055 0.000 0.938 363 K CB -0.026 32.501 32.500 0.044 0.000 0.718 363 K HN 0.004 nan 8.250 nan 0.000 0.442 364 A N 0.158 122.933 122.820 -0.076 0.000 2.014 364 A HA -0.138 4.173 4.320 -0.014 0.000 0.218 364 A C 1.924 179.394 177.584 -0.190 0.000 1.163 364 A CA 0.612 52.529 52.037 -0.201 0.000 0.652 364 A CB -0.686 18.131 19.000 -0.305 0.000 0.808 364 A HN 0.586 nan 8.150 nan 0.000 0.449 365 W N 0.508 121.604 121.300 -0.341 0.000 2.453 365 W HA -0.053 4.598 4.660 -0.014 0.000 0.289 365 W C 1.824 178.271 176.519 -0.121 0.000 1.215 365 W CA 1.352 58.514 57.345 -0.306 0.000 1.297 365 W CB 0.044 29.341 29.460 -0.272 0.000 1.113 365 W HN 0.546 nan 8.180 nan 0.000 0.551 366 E N 0.352 120.513 120.200 -0.065 0.000 2.072 366 E HA -0.184 4.158 4.350 -0.014 0.000 0.191 366 E C 2.052 178.560 176.600 -0.153 0.000 0.985 366 E CA 1.436 57.776 56.400 -0.099 0.000 0.801 366 E CB -0.217 29.499 29.700 0.026 0.000 0.750 366 E HN 0.051 nan 8.360 nan 0.000 0.452 367 V N 0.874 120.712 119.914 -0.126 0.000 2.261 367 V HA -0.257 3.855 4.120 -0.014 0.000 0.246 367 V C 2.449 178.449 176.094 -0.156 0.000 1.047 367 V CA 2.211 64.451 62.300 -0.099 0.000 1.015 367 V CB -0.829 30.935 31.823 -0.099 0.000 0.642 367 V HN 0.365 nan 8.190 nan 0.000 0.446 368 T N -0.047 114.343 114.554 -0.273 0.000 2.624 368 T HA -0.252 4.090 4.350 -0.014 0.000 0.268 368 T C 1.917 176.413 174.700 -0.339 0.000 1.041 368 T CA 2.037 63.948 62.100 -0.315 0.000 1.159 368 T CB -0.498 68.116 68.868 -0.423 0.000 0.863 368 T HN 0.363 nan 8.240 nan 0.000 0.434 369 V N 0.772 120.375 119.914 -0.518 0.000 2.515 369 V HA -0.062 4.049 4.120 -0.014 0.000 0.250 369 V C 2.236 178.286 176.094 -0.074 0.000 1.058 369 V CA 1.801 63.891 62.300 -0.350 0.000 1.064 369 V CB -0.465 31.055 31.823 -0.506 0.000 0.675 369 V HN 0.381 nan 8.190 nan 0.000 0.461 370 K N 0.052 120.372 120.400 -0.134 0.000 2.211 370 K HA -0.100 4.212 4.320 -0.014 0.000 0.203 370 K C 2.108 178.624 176.600 -0.140 0.000 1.050 370 K CA 1.711 57.891 56.287 -0.178 0.000 0.945 370 K CB -0.174 32.241 32.500 -0.142 0.000 0.732 370 K HN 0.756 nan 8.250 nan 0.000 0.451 371 T N -2.179 112.377 114.554 0.003 0.000 3.051 371 T HA 0.080 4.421 4.350 -0.014 0.000 0.255 371 T C 0.786 175.601 174.700 0.191 0.000 1.085 371 T CA -0.201 61.947 62.100 0.079 0.000 1.109 371 T CB -0.101 68.840 68.868 0.123 0.000 0.921 371 T HN 0.002 nan 8.240 nan 0.000 0.488 372 C N 2.242 121.651 119.300 0.183 0.000 2.370 372 C HA 0.927 5.378 4.460 -0.014 0.000 0.354 372 C C 0.536 175.635 174.990 0.181 0.000 1.218 372 C CA -0.699 58.416 59.018 0.162 0.000 2.154 372 C CB 0.453 28.214 27.740 0.036 0.000 2.391 372 C HN 0.776 nan 8.230 nan 0.000 0.540 373 A N 1.703 124.603 122.820 0.133 0.000 2.520 373 A HA 0.691 5.002 4.320 -0.014 0.000 0.298 373 A C -1.699 175.977 177.584 0.154 0.000 1.051 373 A CA -0.350 51.709 52.037 0.038 0.000 0.690 373 A CB 1.023 20.073 19.000 0.083 0.000 1.281 373 A HN 0.883 nan 8.150 nan 0.000 0.402 374 Y N 1.426 121.695 120.300 -0.053 0.000 2.341 374 Y HA 0.655 5.197 4.550 -0.014 0.000 0.338 374 Y C -0.405 175.493 175.900 -0.004 0.000 0.965 374 Y CA -0.680 57.399 58.100 -0.035 0.000 1.108 374 Y CB 1.845 40.237 38.460 -0.112 0.000 1.180 374 Y HN 0.550 nan 8.280 nan 0.000 0.458 375 T N 7.182 121.649 114.554 -0.145 0.000 2.733 375 T HA 0.188 4.529 4.350 -0.014 0.000 0.294 375 T C -0.311 173.975 174.700 -0.690 0.000 0.956 375 T CA -0.689 61.206 62.100 -0.343 0.000 0.987 375 T CB 0.063 68.907 68.868 -0.040 0.000 0.920 375 T HN 0.673 nan 8.240 nan 0.000 0.470 376 N N 1.990 120.215 118.700 -0.792 0.000 2.518 376 N HA 0.084 4.815 4.740 -0.014 0.000 0.283 376 N C 0.237 175.644 175.510 -0.172 0.000 1.119 376 N CA -0.238 52.583 53.050 -0.383 0.000 0.983 376 N CB 0.690 39.113 38.487 -0.106 0.000 1.139 376 N HN 0.663 nan 8.380 nan 0.000 0.465 377 H N 0.897 119.988 119.070 0.036 0.000 2.986 377 H HA 0.154 4.701 4.556 -0.014 0.000 0.267 377 H C -0.107 175.118 175.328 -0.172 0.000 1.072 377 H CA 0.077 56.088 56.048 -0.062 0.000 1.202 377 H CB 1.184 30.923 29.762 -0.039 0.000 1.535 377 H HN 0.534 nan 8.280 nan 0.000 0.522 378 T N 0.128 114.716 114.554 0.056 0.000 2.827 378 T HA 0.194 4.535 4.350 -0.014 0.000 0.328 378 T C 0.316 175.081 174.700 0.108 0.000 1.598 378 T CA -0.338 61.756 62.100 -0.009 0.000 1.043 378 T CB 1.226 70.055 68.868 -0.066 0.000 1.447 378 T HN -0.049 nan 8.240 nan 0.000 0.491 379 V N 1.759 121.698 119.914 0.042 0.000 3.578 379 V HA 0.508 4.619 4.120 -0.014 0.000 0.290 379 V C 0.842 176.907 176.094 -0.048 0.000 1.376 379 V CA 0.196 62.487 62.300 -0.016 0.000 1.083 379 V CB -0.878 30.916 31.823 -0.048 0.000 0.911 379 V HN 0.765 nan 8.190 nan 0.000 0.433 380 I N -0.708 119.819 120.570 -0.073 0.000 2.496 380 I HA 0.396 4.557 4.170 -0.014 0.000 0.285 380 I C -0.667 175.449 176.117 -0.002 0.000 1.080 380 I CA -1.781 59.491 61.300 -0.047 0.000 1.404 380 I CB 1.016 38.958 38.000 -0.096 0.000 1.403 380 I HN -0.079 nan 8.210 nan 0.000 0.539 381 P HA -0.219 nan 4.420 nan 0.000 0.218 381 P C 0.915 178.225 177.300 0.018 0.000 1.149 381 P CA 1.487 64.593 63.100 0.009 0.000 0.817 381 P CB -0.005 31.702 31.700 0.012 0.000 0.785 382 E N 0.257 120.496 120.200 0.064 0.000 2.427 382 E HA -0.010 4.331 4.350 -0.014 0.000 0.196 382 E C 1.747 178.370 176.600 0.039 0.000 1.028 382 E CA 0.784 57.232 56.400 0.080 0.000 0.864 382 E CB -0.745 29.086 29.700 0.219 0.000 0.813 382 E HN 0.188 nan 8.360 nan 0.000 0.514 383 A N 1.278 124.129 122.820 0.051 0.000 2.123 383 A HA 0.117 4.429 4.320 -0.014 0.000 0.214 383 A C 1.325 178.901 177.584 -0.013 0.000 1.152 383 A CA -0.061 52.010 52.037 0.057 0.000 0.728 383 A CB -0.051 18.989 19.000 0.068 0.000 0.814 383 A HN 0.168 nan 8.150 nan 0.000 0.464 384 L N 1.594 122.764 121.223 -0.088 0.000 2.410 384 L HA 0.139 4.470 4.340 -0.014 0.000 0.273 384 L C -0.112 176.390 176.870 -0.612 0.000 1.152 384 L CA 0.388 55.100 54.840 -0.213 0.000 0.855 384 L CB 0.504 42.479 42.059 -0.141 0.000 1.129 384 L HN 0.418 nan 8.230 nan 0.000 0.463 385 E N 4.816 124.559 120.200 -0.762 0.000 2.223 385 E HA 0.262 4.603 4.350 -0.014 0.000 0.282 385 E C -0.526 175.508 176.600 -0.943 0.000 1.046 385 E CA -0.216 55.328 56.400 -1.426 0.000 0.857 385 E CB 0.829 30.049 29.700 -0.800 0.000 1.055 385 E HN 0.359 nan 8.360 nan 0.000 0.409 386 R N 3.785 123.599 120.500 -1.143 0.000 2.680 386 R HA 0.167 4.498 4.340 -0.014 0.000 0.278 386 R C -1.402 174.757 176.300 -0.235 0.000 1.582 386 R CA -0.536 55.290 56.100 -0.456 0.000 1.177 386 R CB 0.822 30.956 30.300 -0.276 0.000 1.232 386 R HN 0.489 nan 8.270 nan 0.000 0.528 387 W N 5.153 126.414 121.300 -0.065 0.000 2.335 387 W HA 0.240 4.891 4.660 -0.014 0.000 0.306 387 W C -1.746 174.760 176.519 -0.020 0.000 1.216 387 W CA -2.027 55.343 57.345 0.041 0.000 1.237 387 W CB 0.933 30.389 29.460 -0.007 0.000 1.243 387 W HN 0.224 nan 8.180 nan 0.000 0.493 388 P HA -0.082 nan 4.420 nan 0.000 0.267 388 P C 0.753 178.027 177.300 -0.045 0.000 1.209 388 P CA 0.314 63.450 63.100 0.059 0.000 0.763 388 P CB 1.450 33.140 31.700 -0.016 0.000 0.816 389 V N 4.133 124.071 119.914 0.041 0.000 2.278 389 V HA -0.304 3.808 4.120 -0.014 0.000 0.251 389 V C 2.468 178.573 176.094 0.018 0.000 1.062 389 V CA 2.792 65.112 62.300 0.033 0.000 1.038 389 V CB -1.843 30.055 31.823 0.125 0.000 0.646 389 V HN 0.762 nan 8.190 nan 0.000 0.447 390 H N -1.221 117.894 119.070 0.075 0.000 2.457 390 H HA -0.169 4.379 4.556 -0.014 0.000 0.297 390 H C 2.058 177.420 175.328 0.057 0.000 1.092 390 H CA 1.972 58.059 56.048 0.066 0.000 1.309 390 H CB -0.510 29.295 29.762 0.071 0.000 1.382 390 H HN 0.404 nan 8.280 nan 0.000 0.535 391 L N -0.078 120.903 121.223 -0.403 0.000 2.023 391 L HA -0.068 4.263 4.340 -0.014 0.000 0.205 391 L C 2.460 179.236 176.870 -0.157 0.000 1.073 391 L CA 0.930 55.631 54.840 -0.232 0.000 0.745 391 L CB -0.220 41.690 42.059 -0.248 0.000 0.900 391 L HN 0.324 nan 8.230 nan 0.000 0.435 392 L N -0.405 120.711 121.223 -0.178 0.000 2.083 392 L HA -0.262 4.070 4.340 -0.014 0.000 0.209 392 L C 2.574 179.352 176.870 -0.154 0.000 1.083 392 L CA 1.395 56.110 54.840 -0.208 0.000 0.752 392 L CB -0.418 41.518 42.059 -0.205 0.000 0.899 392 L HN 0.402 nan 8.230 nan 0.000 0.433 393 E N -0.488 119.665 120.200 -0.078 0.000 2.051 393 E HA -0.212 4.130 4.350 -0.014 0.000 0.192 393 E C 1.945 178.560 176.600 0.025 0.000 0.991 393 E CA 1.892 58.282 56.400 -0.017 0.000 0.799 393 E CB 0.071 29.800 29.700 0.048 0.000 0.748 393 E HN 0.381 nan 8.360 nan 0.000 0.449 394 T N 1.350 115.940 114.554 0.060 0.000 2.674 394 T HA -0.156 4.186 4.350 -0.014 0.000 0.265 394 T C 1.778 176.556 174.700 0.130 0.000 1.039 394 T CA 1.362 63.543 62.100 0.136 0.000 1.150 394 T CB -0.231 68.746 68.868 0.182 0.000 0.864 394 T HN 0.120 nan 8.240 nan 0.000 0.427 395 L N -0.369 120.833 121.223 -0.036 0.000 2.249 395 L HA 0.380 4.711 4.340 -0.014 0.000 0.207 395 L C 0.589 177.376 176.870 -0.138 0.000 1.090 395 L CA 1.477 56.175 54.840 -0.238 0.000 0.802 395 L CB 0.085 41.946 42.059 -0.330 0.000 0.947 395 L HN 0.181 nan 8.230 nan 0.000 0.453 396 L N 0.957 122.069 121.223 -0.185 0.000 2.725 396 L HA 0.282 4.614 4.340 -0.014 0.000 0.270 396 L C -1.657 175.011 176.870 -0.337 0.000 1.422 396 L CA -0.685 53.952 54.840 -0.338 0.000 0.770 396 L CB 0.873 42.580 42.059 -0.588 0.000 1.081 396 L HN -0.035 nan 8.230 nan 0.000 0.527 397 P HA -0.186 nan 4.420 nan 0.000 0.220 397 P C 1.424 178.531 177.300 -0.322 0.000 1.148 397 P CA 1.029 64.011 63.100 -0.198 0.000 0.803 397 P CB 0.405 32.080 31.700 -0.041 0.000 0.782 398 R N 0.112 120.234 120.500 -0.630 0.000 2.066 398 R HA -0.150 4.181 4.340 -0.014 0.000 0.232 398 R C 2.366 178.403 176.300 -0.438 0.000 1.131 398 R CA 1.730 57.489 56.100 -0.568 0.000 0.955 398 R CB -1.540 28.257 30.300 -0.838 0.000 0.851 398 R HN 0.220 nan 8.270 nan 0.000 0.432 399 H N -0.275 118.485 119.070 -0.517 0.000 2.387 399 H HA -0.073 4.474 4.556 -0.014 0.000 0.299 399 H C 1.806 176.954 175.328 -0.300 0.000 1.099 399 H CA 1.698 57.522 56.048 -0.373 0.000 1.315 399 H CB -0.123 29.376 29.762 -0.439 0.000 1.380 399 H HN 0.107 nan 8.280 nan 0.000 0.513 400 L N 0.378 121.468 121.223 -0.220 0.000 2.131 400 L HA -0.245 4.087 4.340 -0.014 0.000 0.210 400 L C 1.903 178.560 176.870 -0.355 0.000 1.092 400 L CA 1.485 56.111 54.840 -0.356 0.000 0.759 400 L CB -0.250 41.593 42.059 -0.361 0.000 0.903 400 L HN 0.455 nan 8.230 nan 0.000 0.435 401 Q N -0.437 119.275 119.800 -0.147 0.000 2.079 401 Q HA -0.190 4.141 4.340 -0.014 0.000 0.200 401 Q C 2.203 178.226 176.000 0.038 0.000 0.974 401 Q CA 1.379 57.191 55.803 0.015 0.000 0.840 401 Q CB 0.029 28.787 28.738 0.034 0.000 0.898 401 Q HN 0.521 nan 8.270 nan 0.000 0.430 402 I N 0.397 120.960 120.570 -0.012 0.000 2.202 402 I HA -0.274 3.888 4.170 -0.014 0.000 0.242 402 I C 2.087 178.261 176.117 0.095 0.000 1.091 402 I CA 1.058 62.407 61.300 0.083 0.000 1.368 402 I CB -0.136 37.865 38.000 0.003 0.000 1.058 402 I HN 0.201 nan 8.210 nan 0.000 0.410 403 I N -0.334 120.233 120.570 -0.004 0.000 2.264 403 I HA -0.328 3.833 4.170 -0.014 0.000 0.248 403 I C 2.305 178.481 176.117 0.099 0.000 1.111 403 I CA 1.494 62.793 61.300 -0.001 0.000 1.382 403 I CB -0.372 37.555 38.000 -0.122 0.000 1.060 403 I HN 0.199 nan 8.210 nan 0.000 0.418 404 Y N 0.576 120.878 120.300 0.004 0.000 2.263 404 Y HA -0.208 4.334 4.550 -0.014 0.000 0.292 404 Y C 2.560 178.427 175.900 -0.057 0.000 1.130 404 Y CA 1.244 59.334 58.100 -0.016 0.000 1.179 404 Y CB -0.699 37.746 38.460 -0.025 0.000 0.998 404 Y HN 0.193 nan 8.280 nan 0.000 0.532 405 E N 0.593 120.843 120.200 0.084 0.000 2.072 405 E HA -0.128 4.213 4.350 -0.014 0.000 0.190 405 E C 2.018 178.504 176.600 -0.190 0.000 0.982 405 E CA 1.264 57.577 56.400 -0.145 0.000 0.803 405 E CB -0.581 28.988 29.700 -0.218 0.000 0.755 405 E HN 0.455 nan 8.360 nan 0.000 0.453 406 I N 0.826 121.403 120.570 0.012 0.000 2.163 406 I HA -0.308 3.854 4.170 -0.014 0.000 0.243 406 I C 2.307 178.427 176.117 0.005 0.000 1.085 406 I CA 1.473 62.756 61.300 -0.028 0.000 1.347 406 I CB -0.432 37.572 38.000 0.006 0.000 1.044 406 I HN 0.231 nan 8.210 nan 0.000 0.408 407 N N 0.735 119.484 118.700 0.082 0.000 2.043 407 N HA -0.270 4.461 4.740 -0.014 0.000 0.193 407 N C 1.852 177.430 175.510 0.114 0.000 1.037 407 N CA 1.676 54.817 53.050 0.152 0.000 0.851 407 N CB -0.189 38.407 38.487 0.181 0.000 1.027 407 N HN 0.275 nan 8.380 nan 0.000 0.422 408 Q N -0.044 119.766 119.800 0.016 0.000 2.045 408 Q HA -0.148 4.184 4.340 -0.014 0.000 0.206 408 Q C 2.077 178.039 176.000 -0.063 0.000 0.991 408 Q CA 1.828 57.601 55.803 -0.049 0.000 0.851 408 Q CB -0.006 28.660 28.738 -0.119 0.000 0.911 408 Q HN 0.383 nan 8.270 nan 0.000 0.418 409 R N -0.896 119.538 120.500 -0.110 0.000 2.092 409 R HA -0.114 4.217 4.340 -0.014 0.000 0.231 409 R C 2.197 178.503 176.300 0.011 0.000 1.119 409 R CA 1.212 57.246 56.100 -0.110 0.000 0.970 409 R CB -0.386 29.774 30.300 -0.233 0.000 0.864 409 R HN 0.301 nan 8.270 nan 0.000 0.440 410 F N 1.671 121.586 119.950 -0.058 0.000 2.113 410 F HA -0.074 4.444 4.527 -0.014 0.000 0.297 410 F C 1.907 177.719 175.800 0.020 0.000 1.103 410 F CA 1.255 59.270 58.000 0.024 0.000 1.248 410 F CB -0.203 38.847 39.000 0.083 0.000 0.999 410 F HN -0.138 nan 8.300 nan 0.000 0.475 411 L N 0.225 121.449 121.223 0.003 0.000 2.265 411 L HA -0.233 4.099 4.340 -0.014 0.000 0.215 411 L C 1.800 178.596 176.870 -0.122 0.000 1.117 411 L CA 1.443 56.225 54.840 -0.096 0.000 0.782 411 L CB -0.850 41.218 42.059 0.015 0.000 0.914 411 L HN 0.286 nan 8.230 nan 0.000 0.441 412 N N -0.524 118.119 118.700 -0.095 0.000 2.396 412 N HA -0.116 4.615 4.740 -0.014 0.000 0.180 412 N C 1.908 177.357 175.510 -0.102 0.000 1.028 412 N CA 0.278 53.276 53.050 -0.087 0.000 0.893 412 N CB 0.117 38.560 38.487 -0.074 0.000 0.967 412 N HN 0.265 nan 8.380 nan 0.000 0.440 413 R N 0.486 120.900 120.500 -0.144 0.000 2.100 413 R HA 0.046 4.377 4.340 -0.014 0.000 0.220 413 R C 1.943 178.133 176.300 -0.184 0.000 1.091 413 R CA 0.462 56.474 56.100 -0.147 0.000 0.986 413 R CB 0.138 30.349 30.300 -0.147 0.000 0.888 413 R HN 0.019 nan 8.270 nan 0.000 0.444 414 V N 0.792 120.554 119.914 -0.254 0.000 2.270 414 V HA -0.201 3.911 4.120 -0.014 0.000 0.245 414 V C 2.412 178.506 176.094 -0.001 0.000 1.043 414 V CA 1.950 64.178 62.300 -0.121 0.000 1.014 414 V CB -0.724 30.934 31.823 -0.276 0.000 0.645 414 V HN 0.421 nan 8.190 nan 0.000 0.447 415 A N 0.225 123.016 122.820 -0.048 0.000 1.917 415 A HA -0.231 4.080 4.320 -0.014 0.000 0.219 415 A C 2.383 179.938 177.584 -0.049 0.000 1.182 415 A CA 2.504 54.524 52.037 -0.029 0.000 0.633 415 A CB -0.858 18.115 19.000 -0.044 0.000 0.819 415 A HN 0.620 nan 8.150 nan 0.000 0.448 416 A N -0.895 121.875 122.820 -0.083 0.000 1.969 416 A HA 0.281 4.592 4.320 -0.014 0.000 0.218 416 A C 2.341 179.830 177.584 -0.159 0.000 1.169 416 A CA 1.863 53.840 52.037 -0.100 0.000 0.635 416 A CB -0.623 18.322 19.000 -0.092 0.000 0.810 416 A HN 1.048 nan 8.150 nan 0.000 0.445 417 A N -1.856 120.817 122.820 -0.246 0.000 2.044 417 A HA 0.442 4.753 4.320 -0.014 0.000 0.213 417 A C 0.410 177.583 177.584 -0.686 0.000 1.169 417 A CA 0.337 52.068 52.037 -0.510 0.000 0.724 417 A CB -0.023 18.564 19.000 -0.690 0.000 0.840 417 A HN 0.377 nan 8.150 nan 0.000 0.463 418 F N 1.338 121.236 119.950 -0.087 0.000 2.471 418 F HA 0.295 4.813 4.527 -0.014 0.000 0.318 418 F C -2.448 173.312 175.800 -0.067 0.000 1.308 418 F CA -3.028 54.926 58.000 -0.077 0.000 1.162 418 F CB 0.937 39.881 39.000 -0.093 0.000 1.383 418 F HN 0.025 nan 8.300 nan 0.000 0.552 419 P HA 0.145 nan 4.420 nan 0.000 0.267 419 P C 0.913 178.226 177.300 0.022 0.000 1.209 419 P CA 1.044 64.147 63.100 0.005 0.000 0.763 419 P CB 1.406 33.091 31.700 -0.026 0.000 0.816 420 G N 2.956 111.764 108.800 0.014 0.000 2.253 420 G HA2 -0.235 3.716 3.960 -0.014 0.000 0.251 420 G HA3 -0.235 3.716 3.960 -0.014 0.000 0.251 420 G C 0.313 175.222 174.900 0.015 0.000 0.998 420 G CA 0.149 45.255 45.100 0.010 0.000 0.621 420 G HN 0.611 nan 8.290 nan 0.000 0.524 421 D N 1.149 121.569 120.400 0.033 0.000 2.498 421 D HA 0.392 5.023 4.640 -0.014 0.000 0.229 421 D C 1.525 177.818 176.300 -0.012 0.000 1.188 421 D CA 0.377 54.384 54.000 0.011 0.000 1.028 421 D CB 0.655 41.464 40.800 0.015 0.000 1.087 421 D HN 0.128 nan 8.370 nan 0.000 0.510 422 V N 2.915 122.822 119.914 -0.011 0.000 2.759 422 V HA -0.169 3.942 4.120 -0.014 0.000 0.256 422 V C 1.588 177.671 176.094 -0.018 0.000 1.080 422 V CA 1.592 63.884 62.300 -0.013 0.000 1.101 422 V CB 0.053 31.871 31.823 -0.008 0.000 0.698 422 V HN 0.379 nan 8.190 nan 0.000 0.477 423 D N -0.576 119.809 120.400 -0.025 0.000 2.213 423 D HA -0.107 4.524 4.640 -0.014 0.000 0.205 423 D C 2.285 178.561 176.300 -0.041 0.000 0.961 423 D CA 0.799 54.785 54.000 -0.023 0.000 0.853 423 D CB -0.068 40.718 40.800 -0.023 0.000 0.967 423 D HN 0.324 nan 8.370 nan 0.000 0.496 424 R N -0.185 120.267 120.500 -0.080 0.000 2.082 424 R HA -0.140 4.191 4.340 -0.014 0.000 0.234 424 R C 1.960 178.195 176.300 -0.109 0.000 1.136 424 R CA 1.084 57.099 56.100 -0.142 0.000 0.935 424 R CB -0.331 29.830 30.300 -0.231 0.000 0.842 424 R HN 0.159 nan 8.270 nan 0.000 0.430 425 L N 1.266 122.445 121.223 -0.074 0.000 1.997 425 L HA -0.240 4.091 4.340 -0.014 0.000 0.216 425 L C 2.582 179.455 176.870 0.005 0.000 1.074 425 L CA 2.237 57.054 54.840 -0.038 0.000 0.763 425 L CB -1.416 40.630 42.059 -0.021 0.000 0.890 425 L HN 0.355 nan 8.230 nan 0.000 0.434 426 R N -0.383 120.126 120.500 0.014 0.000 2.148 426 R HA -0.136 4.196 4.340 -0.014 0.000 0.227 426 R C 2.199 178.545 176.300 0.077 0.000 1.103 426 R CA 1.314 57.441 56.100 0.046 0.000 0.983 426 R CB -0.724 29.597 30.300 0.035 0.000 0.874 426 R HN 0.178 nan 8.270 nan 0.000 0.451 427 R N -0.346 120.187 120.500 0.054 0.000 2.153 427 R HA 0.194 4.525 4.340 -0.014 0.000 0.218 427 R C 1.831 178.211 176.300 0.134 0.000 1.072 427 R CA 1.419 57.576 56.100 0.094 0.000 0.990 427 R CB -0.000 30.321 30.300 0.035 0.000 0.889 427 R HN 0.300 nan 8.270 nan 0.000 0.452 428 M N -0.372 119.244 119.600 0.025 0.000 2.510 428 M HA 0.050 4.521 4.480 -0.014 0.000 0.256 428 M C 0.698 177.118 176.300 0.201 0.000 1.132 428 M CA 0.032 55.298 55.300 -0.056 0.000 1.105 428 M CB 0.576 33.018 32.600 -0.263 0.000 1.375 428 M HN -0.059 nan 8.290 nan 0.000 0.477 429 S N 1.085 116.934 115.700 0.249 0.000 2.558 429 S HA 0.005 4.467 4.470 -0.014 0.000 0.293 429 S C 1.161 176.016 174.600 0.424 0.000 1.292 429 S CA -0.184 58.195 58.200 0.297 0.000 1.063 429 S CB 0.469 63.791 63.200 0.203 0.000 0.831 429 S HN 0.354 nan 8.310 nan 0.000 0.499 430 L N 4.297 125.722 121.223 0.336 0.000 2.376 430 L HA 0.073 4.404 4.340 -0.014 0.000 0.219 430 L C 0.367 177.355 176.870 0.196 0.000 1.133 430 L CA 0.332 55.334 54.840 0.270 0.000 0.816 430 L CB -0.523 41.633 42.059 0.162 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 1.111 121.150 119.914 0.209 0.000 2.383 431 V HA 0.162 4.273 4.120 -0.014 0.000 0.275 431 V C 0.115 176.300 176.094 0.152 0.000 1.036 431 V CA -0.585 61.828 62.300 0.187 0.000 0.889 431 V CB 1.338 33.292 31.823 0.218 0.000 0.985 431 V HN 0.190 nan 8.190 nan 0.000 0.459 432 E N 3.502 123.773 120.200 0.119 0.000 2.156 432 E HA 0.456 4.798 4.350 -0.014 0.000 0.279 432 E C -0.774 175.881 176.600 0.091 0.000 0.965 432 E CA -0.655 55.805 56.400 0.099 0.000 0.789 432 E CB 2.224 31.966 29.700 0.070 0.000 1.098 432 E HN 0.581 nan 8.360 nan 0.000 0.397 433 E N 0.984 121.232 120.200 0.081 0.000 2.314 433 E HA 0.623 4.965 4.350 -0.014 0.000 0.262 433 E C 0.124 176.761 176.600 0.062 0.000 1.093 433 E CA 0.260 56.702 56.400 0.069 0.000 0.908 433 E CB 1.470 31.204 29.700 0.056 0.000 1.091 433 E HN 0.670 nan 8.360 nan 0.000 0.425 434 G N -0.190 108.645 108.800 0.058 0.000 2.356 434 G HA2 0.280 4.231 3.960 -0.014 0.000 0.266 434 G HA3 0.280 4.231 3.960 -0.014 0.000 0.266 434 G C 0.352 175.284 174.900 0.053 0.000 1.312 434 G CA 0.184 45.316 45.100 0.052 0.000 0.922 434 G HN 0.576 nan 8.290 nan 0.000 0.480 435 A N -0.943 121.907 122.820 0.051 0.000 1.869 435 A HA 0.301 4.612 4.320 -0.014 0.000 0.218 435 A C 1.529 179.150 177.584 0.062 0.000 1.203 435 A CA 3.659 55.725 52.037 0.049 0.000 0.638 435 A CB -1.224 17.805 19.000 0.047 0.000 0.831 435 A HN 2.236 nan 8.150 nan 0.000 0.450 436 V N -3.136 116.828 119.914 0.083 0.000 2.680 436 V HA 0.541 4.652 4.120 -0.014 0.000 0.309 436 V C -0.620 175.545 176.094 0.118 0.000 1.052 436 V CA -1.534 60.837 62.300 0.119 0.000 0.908 436 V CB 1.625 33.548 31.823 0.168 0.000 1.001 436 V HN 0.365 nan 8.190 nan 0.000 0.431 437 K N 3.174 123.654 120.400 0.133 0.000 2.202 437 K HA 0.669 4.981 4.320 -0.014 0.000 0.264 437 K C -0.612 176.066 176.600 0.130 0.000 1.010 437 K CA -0.530 55.833 56.287 0.126 0.000 0.940 437 K CB 1.121 33.706 32.500 0.143 0.000 0.983 437 K HN 0.714 nan 8.250 nan 0.000 0.475 438 R N 0.629 121.195 120.500 0.110 0.000 2.774 438 R HA 0.468 4.799 4.340 -0.014 0.000 0.272 438 R C -0.811 175.536 176.300 0.079 0.000 1.000 438 R CA -0.920 55.234 56.100 0.091 0.000 0.906 438 R CB 1.327 31.662 30.300 0.058 0.000 1.227 438 R HN 0.399 nan 8.270 nan 0.000 0.468 439 I N 1.558 122.169 120.570 0.068 0.000 2.412 439 I HA 0.222 4.384 4.170 -0.014 0.000 0.296 439 I C -0.289 175.818 176.117 -0.017 0.000 0.987 439 I CA -0.702 60.624 61.300 0.043 0.000 1.180 439 I CB 1.462 39.481 38.000 0.031 0.000 1.340 439 I HN 0.525 nan 8.210 nan 0.000 0.455 440 N N 6.564 125.220 118.700 -0.074 0.000 2.462 440 N HA 0.131 4.863 4.740 -0.014 0.000 0.242 440 N C 0.664 176.053 175.510 -0.203 0.000 1.010 440 N CA -0.401 52.514 53.050 -0.225 0.000 0.939 440 N CB 1.082 39.289 38.487 -0.467 0.000 1.127 440 N HN 0.380 nan 8.380 nan 0.000 0.509 441 M N 2.395 121.882 119.600 -0.187 0.000 2.296 441 M HA -0.028 4.443 4.480 -0.014 0.000 0.265 441 M C 1.938 178.074 176.300 -0.275 0.000 1.064 441 M CA 0.707 55.915 55.300 -0.152 0.000 1.109 441 M CB -1.495 31.065 32.600 -0.065 0.000 1.396 441 M HN 0.621 nan 8.290 nan 0.000 0.430 442 A N -0.818 121.815 122.820 -0.311 0.000 1.969 442 A HA -0.160 4.151 4.320 -0.014 0.000 0.218 442 A C 1.965 179.268 177.584 -0.469 0.000 1.169 442 A CA 1.371 53.154 52.037 -0.423 0.000 0.635 442 A CB -1.064 17.852 19.000 -0.140 0.000 0.810 442 A HN 0.596 nan 8.150 nan 0.000 0.445 443 H N -1.135 117.698 119.070 -0.396 0.000 2.389 443 H HA 0.013 4.560 4.556 -0.014 0.000 0.299 443 H C 2.085 177.208 175.328 -0.343 0.000 1.081 443 H CA 0.799 56.598 56.048 -0.416 0.000 1.345 443 H CB -0.006 29.701 29.762 -0.092 0.000 1.393 443 H HN 0.342 nan 8.280 nan 0.000 0.520 444 L N 0.508 121.649 121.223 -0.137 0.000 2.042 444 L HA -0.224 4.107 4.340 -0.014 0.000 0.210 444 L C 2.033 178.792 176.870 -0.185 0.000 1.076 444 L CA 1.408 56.179 54.840 -0.114 0.000 0.749 444 L CB -0.464 41.550 42.059 -0.076 0.000 0.893 444 L HN 0.462 nan 8.230 nan 0.000 0.432 445 C N -0.187 118.896 119.300 -0.362 0.000 2.435 445 C HA -0.107 4.344 4.460 -0.014 0.000 0.279 445 C C 2.680 177.443 174.990 -0.379 0.000 1.321 445 C CA 0.329 59.055 59.018 -0.486 0.000 1.752 445 C CB -0.651 26.430 27.740 -1.099 0.000 1.959 445 C HN 0.503 nan 8.230 nan 0.000 0.500 446 I N 1.239 121.565 120.570 -0.406 0.000 2.406 446 I HA -0.108 4.054 4.170 -0.014 0.000 0.249 446 I C 2.713 178.752 176.117 -0.131 0.000 1.122 446 I CA 1.379 62.512 61.300 -0.278 0.000 1.431 446 I CB -0.457 37.282 38.000 -0.435 0.000 1.087 446 I HN 0.223 nan 8.210 nan 0.000 0.424 447 A N 0.538 123.246 122.820 -0.186 0.000 1.933 447 A HA -0.065 4.247 4.320 -0.014 0.000 0.218 447 A C 2.176 179.855 177.584 0.159 0.000 1.175 447 A CA 1.810 53.785 52.037 -0.104 0.000 0.628 447 A CB -1.038 17.715 19.000 -0.413 0.000 0.814 447 A HN 0.459 nan 8.150 nan 0.000 0.444 448 G N -1.128 107.688 108.800 0.027 0.000 3.434 448 G HA2 0.429 4.381 3.960 -0.014 0.000 0.258 448 G HA3 0.429 4.381 3.960 -0.014 0.000 0.258 448 G C 0.036 174.806 174.900 -0.216 0.000 1.128 448 G CA 0.416 45.408 45.100 -0.180 0.000 0.792 448 G HN 0.329 nan 8.290 nan 0.000 0.539 449 S N -0.102 115.531 115.700 -0.111 0.000 2.536 449 S HA 0.345 4.807 4.470 -0.014 0.000 0.298 449 S C 0.708 175.300 174.600 -0.013 0.000 1.083 449 S CA -0.720 57.444 58.200 -0.058 0.000 0.995 449 S CB 1.255 64.418 63.200 -0.061 0.000 1.058 449 S HN 0.495 nan 8.310 nan 0.000 0.488 450 H N -0.200 118.858 119.070 -0.020 0.000 2.551 450 H HA 0.511 5.059 4.556 -0.014 0.000 0.266 450 H C 0.167 175.507 175.328 0.021 0.000 0.964 450 H CA 0.197 56.260 56.048 0.024 0.000 1.180 450 H CB 0.033 29.818 29.762 0.038 0.000 1.408 450 H HN 0.509 nan 8.280 nan 0.000 0.563 451 A N 1.017 123.539 122.820 -0.496 0.000 2.486 451 A HA 0.586 4.897 4.320 -0.014 0.000 0.300 451 A C -1.280 176.127 177.584 -0.295 0.000 1.048 451 A CA -0.590 51.219 52.037 -0.379 0.000 0.696 451 A CB 2.275 21.017 19.000 -0.430 0.000 1.278 451 A HN 0.086 nan 8.150 nan 0.000 0.405 452 V N 3.647 123.356 119.914 -0.342 0.000 2.656 452 V HA 0.611 4.722 4.120 -0.014 0.000 0.307 452 V C -0.710 175.217 176.094 -0.279 0.000 1.051 452 V CA -0.771 61.324 62.300 -0.342 0.000 0.893 452 V CB 1.901 33.389 31.823 -0.559 0.000 0.999 452 V HN 1.046 nan 8.190 nan 0.000 0.426 453 N N 2.552 121.104 118.700 -0.246 0.000 2.284 453 N HA 0.596 5.328 4.740 -0.014 0.000 0.289 453 N C -0.362 175.065 175.510 -0.139 0.000 1.179 453 N CA -0.355 52.597 53.050 -0.163 0.000 0.774 453 N CB 2.782 41.152 38.487 -0.194 0.000 1.548 453 N HN 0.681 nan 8.380 nan 0.000 0.473 454 G N -0.815 107.954 108.800 -0.052 0.000 2.557 454 G HA2 0.437 4.388 3.960 -0.014 0.000 0.302 454 G HA3 0.437 4.388 3.960 -0.014 0.000 0.302 454 G C 0.798 175.759 174.900 0.102 0.000 1.311 454 G CA -0.348 44.806 45.100 0.089 0.000 1.030 454 G HN 0.650 nan 8.290 nan 0.000 0.509 455 V N -3.959 116.076 119.914 0.203 0.000 3.578 455 V HA 0.684 4.795 4.120 -0.014 0.000 0.290 455 V C 0.631 176.779 176.094 0.090 0.000 1.376 455 V CA 0.549 62.897 62.300 0.079 0.000 1.083 455 V CB -0.668 31.137 31.823 -0.029 0.000 0.911 455 V HN 1.265 nan 8.190 nan 0.000 0.433 456 A N -0.106 122.783 122.820 0.115 0.000 2.604 456 A HA 0.646 4.958 4.320 -0.014 0.000 0.295 456 A C 0.730 178.358 177.584 0.074 0.000 1.067 456 A CA -0.202 51.888 52.037 0.089 0.000 0.683 456 A CB 1.283 20.321 19.000 0.064 0.000 1.281 456 A HN -0.005 nan 8.150 nan 0.000 0.407 457 R N 0.556 121.081 120.500 0.042 0.000 2.091 457 R HA -0.183 4.148 4.340 -0.014 0.000 0.238 457 R C 1.679 177.973 176.300 -0.010 0.000 1.136 457 R CA 2.463 58.567 56.100 0.006 0.000 0.959 457 R CB -0.516 29.782 30.300 -0.003 0.000 0.856 457 R HN 0.885 nan 8.270 nan 0.000 0.437 458 I N -2.490 118.081 120.570 0.001 0.000 2.353 458 I HA -0.138 4.024 4.170 -0.014 0.000 0.248 458 I C 2.369 178.481 176.117 -0.009 0.000 1.119 458 I CA 1.666 62.956 61.300 -0.017 0.000 1.417 458 I CB -0.702 37.285 38.000 -0.020 0.000 1.078 458 I HN 0.125 nan 8.210 nan 0.000 0.421 459 H N 1.923 120.957 119.070 -0.060 0.000 2.321 459 H HA -0.086 4.462 4.556 -0.014 0.000 0.300 459 H C 2.129 177.414 175.328 -0.072 0.000 1.087 459 H CA 2.220 58.227 56.048 -0.068 0.000 1.319 459 H CB -0.253 29.475 29.762 -0.056 0.000 1.379 459 H HN 0.336 nan 8.280 nan 0.000 0.501 460 S N 0.454 116.057 115.700 -0.161 0.000 2.447 460 S HA -0.104 4.358 4.470 -0.014 0.000 0.233 460 S C 1.772 176.254 174.600 -0.197 0.000 1.006 460 S CA 1.033 59.117 58.200 -0.194 0.000 0.957 460 S CB -0.014 63.138 63.200 -0.081 0.000 0.773 460 S HN 0.474 nan 8.310 nan 0.000 0.507 461 E N 1.332 121.432 120.200 -0.167 0.000 2.112 461 E HA 0.094 4.435 4.350 -0.014 0.000 0.190 461 E C 1.954 178.432 176.600 -0.204 0.000 0.979 461 E CA 0.477 56.768 56.400 -0.183 0.000 0.814 461 E CB -0.289 29.335 29.700 -0.128 0.000 0.762 461 E HN 0.505 nan 8.360 nan 0.000 0.460 462 I N 0.985 121.439 120.570 -0.192 0.000 2.361 462 I HA -0.249 3.912 4.170 -0.014 0.000 0.251 462 I C 2.281 178.240 176.117 -0.264 0.000 1.133 462 I CA 0.726 61.910 61.300 -0.194 0.000 1.413 462 I CB -0.148 37.760 38.000 -0.154 0.000 1.073 462 I HN 0.063 nan 8.210 nan 0.000 0.424 463 L N 0.257 121.281 121.223 -0.332 0.000 2.056 463 L HA -0.194 4.137 4.340 -0.014 0.000 0.207 463 L C 2.430 179.142 176.870 -0.263 0.000 1.078 463 L CA 1.470 56.110 54.840 -0.334 0.000 0.749 463 L CB -0.546 41.389 42.059 -0.207 0.000 0.901 463 L HN 0.188 nan 8.230 nan 0.000 0.433 464 K N 0.057 120.253 120.400 -0.339 0.000 2.155 464 K HA -0.108 4.204 4.320 -0.014 0.000 0.203 464 K C 2.057 178.471 176.600 -0.310 0.000 1.052 464 K CA 0.973 56.947 56.287 -0.522 0.000 0.948 464 K CB 0.104 32.079 32.500 -0.875 0.000 0.728 464 K HN 0.233 nan 8.250 nan 0.000 0.448 465 K N -0.471 119.790 120.400 -0.231 0.000 2.242 465 K HA 0.042 4.353 4.320 -0.014 0.000 0.200 465 K C 1.309 177.846 176.600 -0.105 0.000 1.050 465 K CA 0.984 57.188 56.287 -0.139 0.000 0.981 465 K CB 0.543 32.968 32.500 -0.125 0.000 0.795 465 K HN 0.053 nan 8.250 nan 0.000 0.477 466 T N 0.485 114.959 114.554 -0.133 0.000 3.409 466 T HA 0.125 4.467 4.350 -0.014 0.000 0.188 466 T C 1.569 176.196 174.700 -0.121 0.000 0.929 466 T CA -0.354 61.680 62.100 -0.109 0.000 1.184 466 T CB -0.356 68.444 68.868 -0.114 0.000 1.570 466 T HN -0.007 nan 8.240 nan 0.000 0.367 467 I N 0.365 120.794 120.570 -0.234 0.000 2.208 467 I HA -0.123 4.038 4.170 -0.014 0.000 0.245 467 I C 0.310 176.297 176.117 -0.218 0.000 1.097 467 I CA 1.806 62.912 61.300 -0.324 0.000 1.363 467 I CB 0.081 37.727 38.000 -0.589 0.000 1.051 467 I HN 0.196 nan 8.210 nan 0.000 0.413 468 F N 1.889 121.894 119.950 0.091 0.000 2.855 468 F HA 0.186 4.704 4.527 -0.014 0.000 0.317 468 F C 1.697 177.592 175.800 0.158 0.000 1.169 468 F CA -0.912 57.216 58.000 0.212 0.000 1.299 468 F CB -0.636 38.505 39.000 0.235 0.000 0.962 468 F HN 0.010 nan 8.300 nan 0.000 0.506 469 K N 0.302 120.800 120.400 0.164 0.000 2.020 469 K HA -0.236 4.075 4.320 -0.014 0.000 0.212 469 K C 0.919 177.577 176.600 0.097 0.000 1.050 469 K CA 2.165 58.507 56.287 0.091 0.000 0.929 469 K CB -0.722 31.794 32.500 0.027 0.000 0.714 469 K HN 0.180 nan 8.250 nan 0.000 0.443 470 D N 0.249 120.688 120.400 0.065 0.000 2.158 470 D HA -0.133 4.498 4.640 -0.014 0.000 0.197 470 D C 2.005 178.213 176.300 -0.154 0.000 0.995 470 D CA 1.198 55.110 54.000 -0.147 0.000 0.846 470 D CB -0.320 40.317 40.800 -0.270 0.000 0.941 470 D HN 0.277 nan 8.370 nan 0.000 0.456 471 F N -0.282 119.741 119.950 0.122 0.000 2.206 471 F HA -0.118 4.400 4.527 -0.014 0.000 0.298 471 F C 2.315 178.246 175.800 0.219 0.000 1.090 471 F CA 0.408 58.570 58.000 0.271 0.000 1.323 471 F CB -0.641 38.620 39.000 0.435 0.000 1.028 471 F HN -0.047 nan 8.300 nan 0.000 0.492 472 Y N 1.329 121.586 120.300 -0.072 0.000 2.242 472 Y HA -0.163 4.378 4.550 -0.014 0.000 0.291 472 Y C 2.095 177.964 175.900 -0.051 0.000 1.137 472 Y CA 1.523 59.393 58.100 -0.382 0.000 1.181 472 Y CB -0.589 37.453 38.460 -0.697 0.000 0.989 472 Y HN 0.137 nan 8.280 nan 0.000 0.527 473 E N -0.010 120.056 120.200 -0.224 0.000 2.072 473 E HA -0.199 4.142 4.350 -0.014 0.000 0.191 473 E C 2.307 178.936 176.600 0.048 0.000 0.985 473 E CA 1.138 57.456 56.400 -0.137 0.000 0.801 473 E CB -0.272 29.401 29.700 -0.045 0.000 0.750 473 E HN 0.452 nan 8.360 nan 0.000 0.452 474 L N 0.721 122.019 121.223 0.124 0.000 1.994 474 L HA -0.137 4.194 4.340 -0.014 0.000 0.208 474 L C 0.412 177.342 176.870 0.099 0.000 1.071 474 L CA 1.488 56.450 54.840 0.202 0.000 0.745 474 L CB 0.143 42.304 42.059 0.171 0.000 0.892 474 L HN 0.082 nan 8.230 nan 0.000 0.431 475 E N -0.539 119.711 120.200 0.083 0.000 3.386 475 E HA 0.139 4.480 4.350 -0.014 0.000 0.236 475 E C -1.878 174.648 176.600 -0.124 0.000 1.227 475 E CA -1.288 55.071 56.400 -0.069 0.000 0.970 475 E CB 0.997 30.678 29.700 -0.032 0.000 1.343 475 E HN 0.255 nan 8.360 nan 0.000 0.397 476 P HA -0.263 nan 4.420 nan 0.000 0.216 476 P C 1.253 178.666 177.300 0.189 0.000 1.150 476 P CA 1.453 64.463 63.100 -0.149 0.000 0.837 476 P CB -0.078 31.417 31.700 -0.341 0.000 0.786 477 H N 0.326 119.514 119.070 0.197 0.000 2.518 477 H HA 0.040 4.588 4.556 -0.014 0.000 0.289 477 H C 1.413 176.847 175.328 0.176 0.000 1.051 477 H CA 0.753 56.904 56.048 0.172 0.000 1.280 477 H CB -0.526 29.305 29.762 0.115 0.000 1.380 477 H HN 0.186 nan 8.280 nan 0.000 0.566 478 K N 0.273 120.639 120.400 -0.057 0.000 2.228 478 K HA 0.057 4.369 4.320 -0.014 0.000 0.202 478 K C -0.154 176.345 176.600 -0.168 0.000 1.051 478 K CA 0.200 56.423 56.287 -0.106 0.000 0.960 478 K CB 0.169 32.467 32.500 -0.337 0.000 0.743 478 K HN 0.081 nan 8.250 nan 0.000 0.458 479 F N 2.032 122.040 119.950 0.096 0.000 2.410 479 F HA 0.178 4.697 4.527 -0.015 0.000 0.348 479 F C 0.541 176.354 175.800 0.022 0.000 1.106 479 F CA -0.114 57.932 58.000 0.077 0.000 1.163 479 F CB 0.850 39.942 39.000 0.153 0.000 1.129 479 F HN -0.092 nan 8.300 nan 0.000 0.516 480 Q N 1.737 121.578 119.800 0.069 0.000 2.605 480 Q HA 0.389 4.720 4.340 -0.014 0.000 0.296 480 Q C -1.242 174.727 176.000 -0.052 0.000 1.056 480 Q CA -1.283 54.511 55.803 -0.015 0.000 0.778 480 Q CB 3.214 31.891 28.738 -0.102 0.000 1.497 480 Q HN 0.644 nan 8.270 nan 0.000 0.443 481 N N 0.447 119.094 118.700 -0.087 0.000 2.240 481 N HA 0.305 5.036 4.740 -0.014 0.000 0.302 481 N C -1.553 173.861 175.510 -0.159 0.000 1.106 481 N CA -0.427 52.569 53.050 -0.090 0.000 0.778 481 N CB 1.311 39.764 38.487 -0.055 0.000 1.431 481 N HN 0.301 nan 8.380 nan 0.000 0.479 482 K N 2.566 122.875 120.400 -0.152 0.000 2.764 482 K HA 0.177 4.489 4.320 -0.014 0.000 0.239 482 K C -1.087 175.510 176.600 -0.005 0.000 1.048 482 K CA -0.481 55.684 56.287 -0.203 0.000 1.057 482 K CB 1.237 33.380 32.500 -0.595 0.000 1.251 482 K HN 0.560 nan 8.250 nan 0.000 0.524 483 T N 1.997 116.569 114.554 0.029 0.000 2.902 483 T HA 0.071 4.413 4.350 -0.014 0.000 0.301 483 T C 0.780 175.597 174.700 0.194 0.000 1.012 483 T CA 0.238 62.407 62.100 0.114 0.000 1.151 483 T CB 0.287 69.228 68.868 0.122 0.000 0.946 483 T HN 0.342 nan 8.240 nan 0.000 0.542 484 N N 0.746 119.586 118.700 0.233 0.000 2.307 484 N HA 0.351 5.082 4.740 -0.014 0.000 0.230 484 N C 0.521 176.211 175.510 0.300 0.000 1.297 484 N CA -0.140 53.082 53.050 0.287 0.000 0.884 484 N CB 0.374 38.973 38.487 0.186 0.000 1.115 484 N HN 0.762 nan 8.380 nan 0.000 0.436 485 G N -0.283 108.705 108.800 0.313 0.000 2.788 485 G HA2 0.676 4.628 3.960 -0.014 0.000 0.293 485 G HA3 0.676 4.628 3.960 -0.014 0.000 0.293 485 G C -1.667 173.369 174.900 0.227 0.000 1.392 485 G CA -0.403 44.864 45.100 0.278 0.000 0.810 485 G HN 0.421 nan 8.290 nan 0.000 0.508 486 I N -0.527 120.165 120.570 0.205 0.000 2.769 486 I HA 0.543 4.704 4.170 -0.014 0.000 0.298 486 I C 0.032 176.305 176.117 0.261 0.000 1.128 486 I CA -0.534 60.880 61.300 0.191 0.000 1.031 486 I CB 2.717 40.731 38.000 0.024 0.000 1.235 486 I HN 0.503 nan 8.210 nan 0.000 0.423 487 T N 7.054 121.825 114.554 0.361 0.000 2.749 487 T HA 0.356 4.698 4.350 -0.014 0.000 0.295 487 T C -1.690 173.126 174.700 0.192 0.000 0.936 487 T CA -1.743 60.484 62.100 0.211 0.000 1.060 487 T CB 1.014 69.955 68.868 0.122 0.000 0.904 487 T HN 0.401 nan 8.240 nan 0.000 0.500 488 P HA -0.056 nan 4.420 nan 0.000 0.223 488 P C 1.077 178.342 177.300 -0.059 0.000 1.144 488 P CA 0.680 63.809 63.100 0.048 0.000 0.783 488 P CB 0.351 32.056 31.700 0.009 0.000 0.771 489 R N 0.441 120.857 120.500 -0.140 0.000 2.051 489 R HA 0.047 4.378 4.340 -0.014 0.000 0.225 489 R C 2.750 178.931 176.300 -0.199 0.000 1.155 489 R CA 1.522 57.496 56.100 -0.210 0.000 0.945 489 R CB -0.788 29.382 30.300 -0.216 0.000 0.840 489 R HN 0.164 nan 8.270 nan 0.000 0.432 490 R N -1.200 119.119 120.500 -0.302 0.000 2.092 490 R HA -0.070 4.261 4.340 -0.014 0.000 0.231 490 R C 1.572 177.585 176.300 -0.479 0.000 1.119 490 R CA 1.385 57.175 56.100 -0.517 0.000 0.970 490 R CB -0.244 29.446 30.300 -1.017 0.000 0.864 490 R HN 0.317 nan 8.270 nan 0.000 0.440 491 W N 0.320 121.579 121.300 -0.067 0.000 3.405 491 W HA 0.150 4.801 4.660 -0.015 0.000 0.300 491 W C 1.117 177.610 176.519 -0.043 0.000 1.286 491 W CA -0.492 56.815 57.345 -0.063 0.000 1.762 491 W CB 0.357 29.788 29.460 -0.048 0.000 1.087 491 W HN 0.120 nan 8.180 nan 0.000 0.703 492 L N -2.345 118.942 121.223 0.107 0.000 2.923 492 L HA 0.164 4.495 4.340 -0.014 0.000 0.161 492 L C 1.765 178.656 176.870 0.035 0.000 1.202 492 L CA 0.760 55.655 54.840 0.092 0.000 0.920 492 L CB -0.848 41.286 42.059 0.125 0.000 1.773 492 L HN -0.258 nan 8.230 nan 0.000 0.532 493 V N 1.165 121.075 119.914 -0.007 0.000 2.343 493 V HA -0.254 3.857 4.120 -0.014 0.000 0.247 493 V C 2.414 178.484 176.094 -0.041 0.000 1.051 493 V CA 2.460 64.744 62.300 -0.026 0.000 1.036 493 V CB -0.658 31.115 31.823 -0.084 0.000 0.654 493 V HN 0.507 nan 8.190 nan 0.000 0.451 494 L N 0.468 121.639 121.223 -0.086 0.000 2.049 494 L HA -0.145 4.186 4.340 -0.014 0.000 0.203 494 L C 2.509 179.323 176.870 -0.093 0.000 1.074 494 L CA 2.200 56.975 54.840 -0.108 0.000 0.749 494 L CB -0.260 41.688 42.059 -0.186 0.000 0.907 494 L HN 0.615 nan 8.230 nan 0.000 0.439 495 C N -1.493 117.749 119.300 -0.096 0.000 2.514 495 C HA 0.186 4.638 4.460 -0.014 0.000 0.271 495 C C 1.129 176.110 174.990 -0.015 0.000 1.399 495 C CA -0.310 58.672 59.018 -0.059 0.000 1.765 495 C CB -1.226 26.489 27.740 -0.042 0.000 1.893 495 C HN 0.584 nan 8.230 nan 0.000 0.531 496 N N 1.125 119.826 118.700 0.002 0.000 2.752 496 N HA 0.284 5.015 4.740 -0.014 0.000 0.260 496 N C -1.711 173.813 175.510 0.024 0.000 1.562 496 N CA -1.623 51.437 53.050 0.017 0.000 0.788 496 N CB 0.932 39.437 38.487 0.030 0.000 1.192 496 N HN 0.235 nan 8.380 nan 0.000 0.503 497 P HA -0.036 nan 4.420 nan 0.000 0.216 497 P C 1.421 178.738 177.300 0.029 0.000 1.153 497 P CA 0.945 64.058 63.100 0.021 0.000 0.844 497 P CB 0.221 31.927 31.700 0.009 0.000 0.787 498 G N 0.500 109.312 108.800 0.019 0.000 2.469 498 G HA2 -0.255 3.696 3.960 -0.014 0.000 0.220 498 G HA3 -0.255 3.696 3.960 -0.014 0.000 0.220 498 G C 1.556 176.464 174.900 0.014 0.000 1.136 498 G CA 0.796 45.905 45.100 0.014 0.000 0.759 498 G HN 0.265 nan 8.290 nan 0.000 0.562 499 L N 0.966 122.200 121.223 0.018 0.000 2.068 499 L HA 0.380 4.712 4.340 -0.014 0.000 0.204 499 L C 3.043 179.942 176.870 0.049 0.000 1.076 499 L CA 1.961 56.807 54.840 0.010 0.000 0.753 499 L CB -0.783 41.284 42.059 0.013 0.000 0.910 499 L HN 0.187 nan 8.230 nan 0.000 0.439 500 A N -0.612 122.263 122.820 0.092 0.000 2.032 500 A HA -0.249 4.062 4.320 -0.014 0.000 0.221 500 A C 2.078 179.761 177.584 0.164 0.000 1.165 500 A CA 1.984 54.132 52.037 0.185 0.000 0.645 500 A CB -0.630 18.473 19.000 0.171 0.000 0.807 500 A HN 0.663 nan 8.150 nan 0.000 0.453 501 E N -0.105 120.151 120.200 0.093 0.000 2.015 501 E HA -0.156 4.186 4.350 -0.014 0.000 0.191 501 E C 2.040 178.682 176.600 0.070 0.000 0.991 501 E CA 1.436 57.881 56.400 0.075 0.000 0.802 501 E CB -0.458 29.268 29.700 0.043 0.000 0.759 501 E HN 0.882 nan 8.360 nan 0.000 0.447 502 I N -0.730 119.873 120.570 0.056 0.000 2.614 502 I HA -0.166 3.995 4.170 -0.014 0.000 0.258 502 I C 2.075 178.279 176.117 0.146 0.000 1.189 502 I CA 1.166 62.513 61.300 0.079 0.000 1.462 502 I CB -0.289 37.723 38.000 0.021 0.000 1.092 502 I HN 0.036 nan 8.210 nan 0.000 0.442 503 I N 2.033 122.655 120.570 0.087 0.000 2.233 503 I HA -0.151 4.010 4.170 -0.014 0.000 0.243 503 I C 3.025 179.100 176.117 -0.070 0.000 1.093 503 I CA 1.271 62.556 61.300 -0.025 0.000 1.380 503 I CB -0.538 37.325 38.000 -0.228 0.000 1.067 503 I HN 0.277 nan 8.210 nan 0.000 0.413 504 A N 0.586 123.451 122.820 0.074 0.000 1.972 504 A HA -0.210 4.101 4.320 -0.014 0.000 0.219 504 A C 2.144 179.759 177.584 0.052 0.000 1.169 504 A CA 1.542 53.672 52.037 0.155 0.000 0.635 504 A CB -0.569 18.559 19.000 0.213 0.000 0.810 504 A HN 0.461 nan 8.150 nan 0.000 0.446 505 E N -0.512 119.700 120.200 0.021 0.000 2.058 505 E HA -0.201 4.141 4.350 -0.014 0.000 0.194 505 E C 2.320 178.881 176.600 -0.065 0.000 0.997 505 E CA 1.190 57.586 56.400 -0.006 0.000 0.801 505 E CB -0.130 29.575 29.700 0.008 0.000 0.746 505 E HN 0.436 nan 8.360 nan 0.000 0.450 506 R N 0.508 120.906 120.500 -0.171 0.000 2.052 506 R HA 0.001 4.332 4.340 -0.014 0.000 0.226 506 R C 2.514 178.681 176.300 -0.221 0.000 1.145 506 R CA 1.148 57.040 56.100 -0.347 0.000 0.952 506 R CB -0.658 29.090 30.300 -0.919 0.000 0.847 506 R HN 0.356 nan 8.270 nan 0.000 0.431 507 I N -2.656 117.801 120.570 -0.188 0.000 4.018 507 I HA 0.398 4.560 4.170 -0.014 0.000 0.337 507 I C 0.463 176.601 176.117 0.034 0.000 1.327 507 I CA 0.273 61.532 61.300 -0.070 0.000 1.100 507 I CB 0.572 38.512 38.000 -0.099 0.000 1.025 507 I HN 0.212 nan 8.210 nan 0.000 0.396 508 G N 1.897 110.739 108.800 0.070 0.000 2.631 508 G HA2 -0.194 3.757 3.960 -0.014 0.000 0.504 508 G HA3 -0.194 3.757 3.960 -0.014 0.000 0.504 508 G C -0.165 174.886 174.900 0.252 0.000 1.306 508 G CA 0.010 45.184 45.100 0.123 0.000 0.897 508 G HN 0.417 nan 8.290 nan 0.000 0.520 509 E N -0.538 119.757 120.200 0.159 0.000 2.481 509 E HA 0.089 4.430 4.350 -0.014 0.000 0.198 509 E C 1.699 178.279 176.600 -0.034 0.000 1.027 509 E CA -0.071 56.365 56.400 0.060 0.000 0.900 509 E CB 0.386 30.103 29.700 0.029 0.000 0.993 509 E HN 0.406 nan 8.360 nan 0.000 0.482 510 E N 0.453 120.691 120.200 0.063 0.000 2.347 510 E HA -0.143 4.198 4.350 -0.014 0.000 0.196 510 E C 1.476 178.091 176.600 0.025 0.000 1.008 510 E CA 0.597 57.021 56.400 0.040 0.000 0.852 510 E CB 0.067 29.807 29.700 0.066 0.000 0.783 510 E HN 0.510 nan 8.360 nan 0.000 0.505 511 Y N -0.803 119.505 120.300 0.013 0.000 2.497 511 Y HA -0.092 4.451 4.550 -0.013 0.000 0.292 511 Y C 1.762 177.644 175.900 -0.030 0.000 1.137 511 Y CA 0.410 58.509 58.100 -0.002 0.000 1.285 511 Y CB -0.455 38.006 38.460 0.002 0.000 0.991 511 Y HN -0.085 nan 8.280 nan 0.000 0.556 512 I N 1.083 121.270 120.570 -0.639 0.000 2.394 512 I HA -0.186 3.976 4.170 -0.014 0.000 0.251 512 I C 1.891 177.785 176.117 -0.372 0.000 1.136 512 I CA 1.643 62.569 61.300 -0.623 0.000 1.425 512 I CB -1.463 36.060 38.000 -0.796 0.000 1.079 512 I HN 0.521 nan 8.210 nan 0.000 0.425 513 S N -1.711 113.873 115.700 -0.193 0.000 2.559 513 S HA 0.153 4.615 4.470 -0.014 0.000 0.226 513 S C 0.458 175.047 174.600 -0.019 0.000 1.000 513 S CA -0.368 57.784 58.200 -0.080 0.000 0.948 513 S CB 0.391 63.605 63.200 0.022 0.000 0.870 513 S HN 0.240 nan 8.310 nan 0.000 0.497 514 D N 1.268 121.667 120.400 -0.003 0.000 2.441 514 D HA 0.328 4.960 4.640 -0.014 0.000 0.287 514 D C 0.616 176.959 176.300 0.072 0.000 1.198 514 D CA -0.360 53.660 54.000 0.034 0.000 0.894 514 D CB 0.294 41.121 40.800 0.046 0.000 1.070 514 D HN 0.120 nan 8.370 nan 0.000 0.499 515 L N 1.055 122.317 121.223 0.065 0.000 2.362 515 L HA -0.072 4.259 4.340 -0.014 0.000 0.219 515 L C 1.215 178.132 176.870 0.078 0.000 1.134 515 L CA 0.828 55.733 54.840 0.107 0.000 0.807 515 L CB 0.184 42.297 42.059 0.089 0.000 0.927 515 L HN 0.289 nan 8.230 nan 0.000 0.447 516 D N -0.066 120.358 120.400 0.040 0.000 2.182 516 D HA -0.226 4.405 4.640 -0.014 0.000 0.201 516 D C 1.952 178.273 176.300 0.034 0.000 0.986 516 D CA 0.950 54.962 54.000 0.020 0.000 0.847 516 D CB -0.001 40.798 40.800 -0.001 0.000 0.942 516 D HN 0.488 nan 8.370 nan 0.000 0.467 517 Q N -0.106 119.729 119.800 0.058 0.000 2.458 517 Q HA -0.170 4.161 4.340 -0.014 0.000 0.215 517 Q C 1.903 177.920 176.000 0.027 0.000 0.989 517 Q CA 0.340 56.179 55.803 0.059 0.000 0.895 517 Q CB -0.057 28.746 28.738 0.108 0.000 0.934 517 Q HN 0.220 nan 8.270 nan 0.000 0.475 518 L N 0.690 121.925 121.223 0.021 0.000 2.275 518 L HA -0.125 4.207 4.340 -0.014 0.000 0.215 518 L C 2.080 178.950 176.870 -0.000 0.000 1.119 518 L CA 1.351 56.173 54.840 -0.029 0.000 0.790 518 L CB -0.353 41.705 42.059 -0.003 0.000 0.919 518 L HN 0.087 nan 8.230 nan 0.000 0.443 519 R N -0.003 120.506 120.500 0.015 0.000 2.170 519 R HA -0.179 4.152 4.340 -0.014 0.000 0.242 519 R C 1.849 178.162 176.300 0.021 0.000 1.145 519 R CA 0.928 57.039 56.100 0.018 0.000 0.984 519 R CB -0.465 29.841 30.300 0.011 0.000 0.869 519 R HN 0.459 nan 8.270 nan 0.000 0.455 520 K N 0.572 120.985 120.400 0.021 0.000 2.515 520 K HA -0.035 4.277 4.320 -0.014 0.000 0.196 520 K C 1.897 178.552 176.600 0.092 0.000 1.038 520 K CA 0.542 56.854 56.287 0.042 0.000 0.967 520 K CB -0.033 32.491 32.500 0.039 0.000 0.780 520 K HN 0.208 nan 8.250 nan 0.000 0.483 521 L N 0.340 121.600 121.223 0.061 0.000 2.395 521 L HA -0.101 4.230 4.340 -0.014 0.000 0.218 521 L C 1.838 178.796 176.870 0.147 0.000 1.130 521 L CA -0.002 54.899 54.840 0.101 0.000 0.826 521 L CB -0.159 41.937 42.059 0.063 0.000 0.941 521 L HN 0.094 nan 8.230 nan 0.000 0.451 522 L N -0.042 121.228 121.223 0.078 0.000 2.127 522 L HA -0.214 4.117 4.340 -0.014 0.000 0.211 522 L C 2.630 179.491 176.870 -0.014 0.000 1.089 522 L CA 1.751 56.616 54.840 0.041 0.000 0.757 522 L CB -0.914 41.156 42.059 0.019 0.000 0.899 522 L HN 0.261 nan 8.230 nan 0.000 0.434 523 S N -2.072 113.575 115.700 -0.087 0.000 2.507 523 S HA -0.126 4.336 4.470 -0.014 0.000 0.235 523 S C 1.151 175.457 174.600 -0.490 0.000 0.988 523 S CA 0.594 58.617 58.200 -0.295 0.000 0.944 523 S CB -0.460 62.480 63.200 -0.433 0.000 0.762 523 S HN 0.465 nan 8.310 nan 0.000 0.526 524 Y N -0.331 119.894 120.300 -0.125 0.000 2.584 524 Y HA 0.419 4.966 4.550 -0.005 0.000 0.254 524 Y C 1.785 177.701 175.900 0.028 0.000 1.177 524 Y CA -0.784 57.233 58.100 -0.138 0.000 1.216 524 Y CB -0.102 38.061 38.460 -0.494 0.000 1.172 524 Y HN 0.165 nan 8.280 nan 0.000 0.529 525 V N 0.275 120.255 119.914 0.110 0.000 2.913 525 V HA -0.191 3.920 4.120 -0.014 0.000 0.260 525 V C 1.015 177.167 176.094 0.096 0.000 1.098 525 V CA 2.181 64.558 62.300 0.129 0.000 1.121 525 V CB 0.017 31.884 31.823 0.073 0.000 0.714 525 V HN 0.351 nan 8.190 nan 0.000 0.487 526 D N -0.628 119.805 120.400 0.055 0.000 2.433 526 D HA 0.117 4.748 4.640 -0.014 0.000 0.211 526 D C 0.207 176.541 176.300 0.057 0.000 1.114 526 D CA -0.009 54.017 54.000 0.042 0.000 0.837 526 D CB 0.277 41.080 40.800 0.004 0.000 0.984 526 D HN 0.513 nan 8.370 nan 0.000 0.505 527 D N 1.389 121.846 120.400 0.096 0.000 2.343 527 D HA -0.025 4.606 4.640 -0.014 0.000 0.255 527 D C 1.265 177.669 176.300 0.175 0.000 1.187 527 D CA 0.096 54.173 54.000 0.129 0.000 0.875 527 D CB 1.168 42.087 40.800 0.198 0.000 1.136 527 D HN -0.245 nan 8.370 nan 0.000 0.469 528 E N 2.982 123.252 120.200 0.117 0.000 2.106 528 E HA -0.140 4.201 4.350 -0.014 0.000 0.192 528 E C 1.577 178.243 176.600 0.110 0.000 0.984 528 E CA 0.879 57.337 56.400 0.096 0.000 0.806 528 E CB 0.013 29.749 29.700 0.061 0.000 0.750 528 E HN 0.659 nan 8.360 nan 0.000 0.458 529 A N 0.504 123.403 122.820 0.131 0.000 1.873 529 A HA -0.153 4.159 4.320 -0.014 0.000 0.215 529 A C 2.042 179.741 177.584 0.191 0.000 1.186 529 A CA 0.931 53.044 52.037 0.128 0.000 0.616 529 A CB -0.817 18.257 19.000 0.123 0.000 0.823 529 A HN 0.267 nan 8.150 nan 0.000 0.442 530 F N 0.754 120.737 119.950 0.055 0.000 2.126 530 F HA -0.177 4.343 4.527 -0.011 0.000 0.299 530 F C 2.030 177.849 175.800 0.032 0.000 1.096 530 F CA 1.434 59.456 58.000 0.037 0.000 1.255 530 F CB -0.321 38.728 39.000 0.080 0.000 0.997 530 F HN 0.177 nan 8.300 nan 0.000 0.479 531 I N -0.260 120.404 120.570 0.157 0.000 2.208 531 I HA -0.327 3.834 4.170 -0.014 0.000 0.245 531 I C 2.618 178.712 176.117 -0.039 0.000 1.097 531 I CA 1.720 63.035 61.300 0.026 0.000 1.363 531 I CB -0.490 37.557 38.000 0.078 0.000 1.051 531 I HN 0.054 nan 8.210 nan 0.000 0.413 532 R N 0.738 121.233 120.500 -0.008 0.000 2.148 532 R HA -0.158 4.173 4.340 -0.014 0.000 0.223 532 R C 1.711 177.978 176.300 -0.056 0.000 1.088 532 R CA 1.434 57.521 56.100 -0.023 0.000 0.985 532 R CB -0.066 30.236 30.300 0.003 0.000 0.880 532 R HN 0.281 nan 8.270 nan 0.000 0.451 533 D N -0.166 120.183 120.400 -0.086 0.000 2.103 533 D HA -0.102 4.529 4.640 -0.014 0.000 0.199 533 D C 1.937 178.118 176.300 -0.198 0.000 0.978 533 D CA 1.250 55.178 54.000 -0.120 0.000 0.829 533 D CB -0.153 40.586 40.800 -0.103 0.000 0.981 533 D HN 0.046 nan 8.370 nan 0.000 0.464 534 V N 1.566 121.267 119.914 -0.355 0.000 2.332 534 V HA -0.263 3.849 4.120 -0.014 0.000 0.248 534 V C 2.490 178.490 176.094 -0.155 0.000 1.055 534 V CA 1.994 64.091 62.300 -0.337 0.000 1.038 534 V CB -0.794 30.765 31.823 -0.440 0.000 0.651 534 V HN 0.190 nan 8.190 nan 0.000 0.450 535 A N -0.800 121.953 122.820 -0.111 0.000 1.968 535 A HA -0.186 4.125 4.320 -0.014 0.000 0.217 535 A C 2.359 179.912 177.584 -0.052 0.000 1.169 535 A CA 1.771 53.775 52.037 -0.055 0.000 0.638 535 A CB -0.400 18.575 19.000 -0.042 0.000 0.812 535 A HN 0.504 nan 8.150 nan 0.000 0.446 536 K N 0.344 120.709 120.400 -0.058 0.000 2.057 536 K HA -0.107 4.204 4.320 -0.014 0.000 0.206 536 K C 1.983 178.561 176.600 -0.037 0.000 1.050 536 K CA 1.758 58.020 56.287 -0.042 0.000 0.935 536 K CB -0.329 32.150 32.500 -0.037 0.000 0.715 536 K HN 0.426 nan 8.250 nan 0.000 0.439 537 V N -0.304 119.581 119.914 -0.047 0.000 2.427 537 V HA -0.159 3.952 4.120 -0.014 0.000 0.248 537 V C 2.251 178.335 176.094 -0.017 0.000 1.051 537 V CA 1.894 64.176 62.300 -0.029 0.000 1.048 537 V CB -0.650 31.152 31.823 -0.035 0.000 0.666 537 V HN 0.161 nan 8.190 nan 0.000 0.456 538 K N 0.717 121.105 120.400 -0.021 0.000 2.063 538 K HA -0.221 4.091 4.320 -0.014 0.000 0.208 538 K C 2.297 178.883 176.600 -0.023 0.000 1.048 538 K CA 2.229 58.512 56.287 -0.006 0.000 0.928 538 K CB -0.691 31.818 32.500 0.015 0.000 0.713 538 K HN 0.581 nan 8.250 nan 0.000 0.442 539 Q N 1.003 120.784 119.800 -0.033 0.000 2.079 539 Q HA -0.087 4.244 4.340 -0.014 0.000 0.200 539 Q C 1.686 177.677 176.000 -0.015 0.000 0.974 539 Q CA 1.926 57.703 55.803 -0.044 0.000 0.840 539 Q CB -0.122 28.592 28.738 -0.041 0.000 0.898 539 Q HN 0.505 nan 8.270 nan 0.000 0.430 540 E N -0.494 119.706 120.200 -0.001 0.000 2.110 540 E HA -0.165 4.177 4.350 -0.014 0.000 0.193 540 E C 1.687 178.314 176.600 0.044 0.000 0.988 540 E CA 1.000 57.412 56.400 0.020 0.000 0.804 540 E CB -0.015 29.694 29.700 0.014 0.000 0.745 540 E HN 0.386 nan 8.360 nan 0.000 0.458 541 N N 0.811 119.536 118.700 0.042 0.000 2.106 541 N HA -0.121 4.611 4.740 -0.014 0.000 0.188 541 N C 1.491 177.081 175.510 0.134 0.000 1.029 541 N CA 1.004 54.099 53.050 0.075 0.000 0.848 541 N CB -0.092 38.426 38.487 0.052 0.000 1.007 541 N HN 0.106 nan 8.380 nan 0.000 0.423 542 K N 0.619 121.070 120.400 0.086 0.000 2.057 542 K HA -0.038 4.274 4.320 -0.014 0.000 0.207 542 K C 2.110 178.833 176.600 0.205 0.000 1.049 542 K CA 0.750 57.108 56.287 0.118 0.000 0.931 542 K CB -0.221 32.140 32.500 -0.231 0.000 0.714 542 K HN 0.118 nan 8.250 nan 0.000 0.440 543 L N 1.136 122.426 121.223 0.112 0.000 1.994 543 L HA -0.200 4.131 4.340 -0.014 0.000 0.208 543 L C 2.656 179.615 176.870 0.147 0.000 1.071 543 L CA 1.311 56.221 54.840 0.117 0.000 0.745 543 L CB -0.355 41.745 42.059 0.069 0.000 0.892 543 L HN 0.120 nan 8.230 nan 0.000 0.431 544 K N -0.423 120.064 120.400 0.145 0.000 2.057 544 K HA -0.216 4.096 4.320 -0.014 0.000 0.207 544 K C 2.195 178.921 176.600 0.210 0.000 1.049 544 K CA 1.634 58.010 56.287 0.148 0.000 0.931 544 K CB -0.222 32.352 32.500 0.124 0.000 0.714 544 K HN 0.117 nan 8.250 nan 0.000 0.440 545 F N 1.256 121.284 119.950 0.131 0.000 2.186 545 F HA -0.086 4.432 4.527 -0.014 0.000 0.299 545 F C 2.073 177.990 175.800 0.196 0.000 1.090 545 F CA 1.173 59.260 58.000 0.145 0.000 1.307 545 F CB -0.331 38.746 39.000 0.129 0.000 1.019 545 F HN 0.015 nan 8.300 nan 0.000 0.489 546 A N 0.108 123.077 122.820 0.249 0.000 1.972 546 A HA -0.049 4.263 4.320 -0.014 0.000 0.219 546 A C 2.367 179.969 177.584 0.029 0.000 1.169 546 A CA 1.697 53.810 52.037 0.127 0.000 0.635 546 A CB -1.382 17.742 19.000 0.207 0.000 0.810 546 A HN 0.458 nan 8.150 nan 0.000 0.446 547 A N -1.169 121.689 122.820 0.064 0.000 1.854 547 A HA -0.013 4.298 4.320 -0.014 0.000 0.214 547 A C 2.103 179.688 177.584 0.001 0.000 1.192 547 A CA 1.470 53.535 52.037 0.046 0.000 0.611 547 A CB -1.005 18.036 19.000 0.069 0.000 0.832 547 A HN 0.785 nan 8.150 nan 0.000 0.442 548 Y N 0.291 120.506 120.300 -0.141 0.000 2.139 548 Y HA -0.270 4.272 4.550 -0.014 0.000 0.282 548 Y C 1.889 177.638 175.900 -0.252 0.000 1.179 548 Y CA 1.965 59.947 58.100 -0.197 0.000 1.161 548 Y CB -0.492 37.834 38.460 -0.224 0.000 0.970 548 Y HN 0.197 nan 8.280 nan 0.000 0.511 549 L N 1.010 122.132 121.223 -0.168 0.000 1.970 549 L HA -0.240 4.092 4.340 -0.014 0.000 0.212 549 L C 2.423 179.221 176.870 -0.121 0.000 1.071 549 L CA 2.320 57.061 54.840 -0.166 0.000 0.751 549 L CB -1.119 40.813 42.059 -0.212 0.000 0.889 549 L HN 0.362 nan 8.230 nan 0.000 0.432 550 E N -1.345 118.813 120.200 -0.070 0.000 2.153 550 E HA -0.207 4.135 4.350 -0.014 0.000 0.194 550 E C 2.156 178.709 176.600 -0.078 0.000 0.988 550 E CA 0.740 57.124 56.400 -0.026 0.000 0.811 550 E CB -0.017 29.707 29.700 0.039 0.000 0.746 550 E HN 0.440 nan 8.360 nan 0.000 0.466 551 R N 1.008 121.422 120.500 -0.143 0.000 2.187 551 R HA -0.149 4.182 4.340 -0.014 0.000 0.215 551 R C 2.272 178.400 176.300 -0.288 0.000 1.106 551 R CA 1.461 57.445 56.100 -0.192 0.000 0.869 551 R CB -0.309 29.856 30.300 -0.226 0.000 0.789 551 R HN -0.034 nan 8.270 nan 0.000 0.447 552 E N -0.884 118.980 120.200 -0.560 0.000 2.265 552 E HA -0.150 4.192 4.350 -0.014 0.000 0.196 552 E C 0.376 176.697 176.600 -0.464 0.000 0.996 552 E CA 1.300 57.285 56.400 -0.692 0.000 0.832 552 E CB 0.216 29.120 29.700 -1.327 0.000 0.756 552 E HN 0.423 nan 8.360 nan 0.000 0.491 553 Y N -2.119 118.045 120.300 -0.226 0.000 2.858 553 Y HA 0.362 4.904 4.550 -0.015 0.000 0.270 553 Y C 0.213 176.071 175.900 -0.069 0.000 1.063 553 Y CA -0.504 57.528 58.100 -0.113 0.000 1.263 553 Y CB 0.708 39.120 38.460 -0.080 0.000 1.378 553 Y HN -0.279 nan 8.280 nan 0.000 0.578 554 K N 0.860 121.296 120.400 0.061 0.000 2.439 554 K HA 0.798 5.109 4.320 -0.014 0.000 0.260 554 K C -0.962 175.672 176.600 0.057 0.000 1.032 554 K CA -0.849 55.472 56.287 0.056 0.000 0.882 554 K CB 2.771 35.292 32.500 0.035 0.000 1.420 554 K HN -0.203 nan 8.250 nan 0.000 0.455 555 V N -0.552 119.404 119.914 0.070 0.000 2.454 555 V HA 0.329 4.441 4.120 -0.014 0.000 0.267 555 V C -0.290 175.878 176.094 0.123 0.000 0.993 555 V CA -0.907 61.450 62.300 0.095 0.000 0.836 555 V CB 0.407 32.282 31.823 0.087 0.000 1.055 555 V HN 0.844 nan 8.190 nan 0.000 0.452 556 H N 2.907 121.987 119.070 0.017 0.000 2.955 556 H HA -0.188 4.360 4.556 -0.014 0.000 0.288 556 H C -0.173 175.165 175.328 0.018 0.000 0.890 556 H CA 1.927 57.987 56.048 0.020 0.000 1.297 556 H CB 0.220 29.999 29.762 0.028 0.000 1.101 556 H HN 1.030 nan 8.280 nan 0.000 0.644 557 I N 0.387 120.649 120.570 -0.513 0.000 3.239 557 I HA 0.448 4.610 4.170 -0.014 0.000 0.314 557 I C -0.358 175.474 176.117 -0.474 0.000 1.126 557 I CA -1.356 59.730 61.300 -0.357 0.000 0.973 557 I CB 2.126 40.018 38.000 -0.180 0.000 1.252 557 I HN 0.573 nan 8.210 nan 0.000 0.463 558 N N 2.494 121.130 118.700 -0.107 0.000 2.469 558 N HA 0.468 5.200 4.740 -0.014 0.000 0.253 558 N C -2.257 173.349 175.510 0.160 0.000 0.970 558 N CA -2.589 50.472 53.050 0.018 0.000 0.940 558 N CB 1.492 40.017 38.487 0.063 0.000 1.128 558 N HN 0.332 nan 8.380 nan 0.000 0.503 559 P HA 0.070 nan 4.420 nan 0.000 0.234 559 P C -0.333 176.910 177.300 -0.094 0.000 1.167 559 P CA 0.896 64.029 63.100 0.055 0.000 0.763 559 P CB 0.098 31.828 31.700 0.050 0.000 0.835 560 N N -1.095 117.603 118.700 -0.003 0.000 2.268 560 N HA 0.040 4.771 4.740 -0.014 0.000 0.204 560 N C 0.146 175.678 175.510 0.037 0.000 1.124 560 N CA -0.176 52.873 53.050 -0.002 0.000 0.838 560 N CB 0.097 38.602 38.487 0.030 0.000 0.994 560 N HN 0.160 nan 8.380 nan 0.000 0.489 561 S N -0.341 115.371 115.700 0.021 0.000 2.745 561 S HA 0.362 4.824 4.470 -0.014 0.000 0.292 561 S C -0.168 174.340 174.600 -0.153 0.000 1.133 561 S CA -1.015 57.192 58.200 0.011 0.000 0.998 561 S CB 1.325 64.569 63.200 0.073 0.000 1.087 561 S HN 0.107 nan 8.310 nan 0.000 0.551 562 L N 1.969 122.941 121.223 -0.418 0.000 2.410 562 L HA 0.337 4.668 4.340 -0.014 0.000 0.273 562 L C -1.211 175.584 176.870 -0.125 0.000 1.144 562 L CA -0.528 53.836 54.840 -0.794 0.000 0.863 562 L CB -0.136 41.250 42.059 -1.121 0.000 1.140 562 L HN 0.610 nan 8.230 nan 0.000 0.463 563 F N 3.508 123.306 119.950 -0.252 0.000 2.375 563 F HA 0.194 4.713 4.527 -0.013 0.000 0.362 563 F C 0.417 176.145 175.800 -0.121 0.000 1.129 563 F CA -1.170 56.753 58.000 -0.129 0.000 1.154 563 F CB 0.429 39.397 39.000 -0.055 0.000 1.205 563 F HN 0.399 nan 8.300 nan 0.000 0.513 564 D N 4.022 124.437 120.400 0.025 0.000 2.396 564 D HA 0.345 4.977 4.640 -0.014 0.000 0.225 564 D C -0.964 175.294 176.300 -0.071 0.000 1.121 564 D CA -0.016 53.955 54.000 -0.049 0.000 0.853 564 D CB 1.055 41.810 40.800 -0.074 0.000 1.043 564 D HN 0.300 nan 8.370 nan 0.000 0.500 565 V N 2.154 122.018 119.914 -0.084 0.000 2.823 565 V HA 0.628 4.739 4.120 -0.014 0.000 0.312 565 V C -1.410 174.588 176.094 -0.160 0.000 1.072 565 V CA -0.748 61.490 62.300 -0.102 0.000 0.937 565 V CB 1.988 33.795 31.823 -0.027 0.000 1.013 565 V HN 0.504 nan 8.190 nan 0.000 0.430 566 Q N 3.765 123.466 119.800 -0.166 0.000 2.337 566 Q HA 0.671 5.002 4.340 -0.014 0.000 0.264 566 Q C -1.593 174.266 176.000 -0.234 0.000 1.007 566 Q CA -0.659 55.031 55.803 -0.187 0.000 0.727 566 Q CB 1.980 30.623 28.738 -0.157 0.000 1.256 566 Q HN 1.268 nan 8.270 nan 0.000 0.467 567 V N 2.291 122.049 119.914 -0.261 0.000 2.443 567 V HA 0.831 4.942 4.120 -0.014 0.000 0.293 567 V C -0.801 174.983 176.094 -0.516 0.000 1.021 567 V CA -0.561 61.370 62.300 -0.615 0.000 0.848 567 V CB 1.120 32.378 31.823 -0.942 0.000 0.998 567 V HN 0.810 nan 8.190 nan 0.000 0.424 568 K N 2.463 122.644 120.400 -0.364 0.000 2.809 568 K HA 0.506 4.817 4.320 -0.014 0.000 0.293 568 K C -1.183 175.430 176.600 0.021 0.000 1.061 568 K CA -1.117 55.135 56.287 -0.058 0.000 0.837 568 K CB 1.462 33.930 32.500 -0.053 0.000 1.524 568 K HN 0.477 nan 8.250 nan 0.000 0.370 569 R N 0.901 121.465 120.500 0.106 0.000 2.623 569 R HA 0.216 4.548 4.340 -0.014 0.000 0.271 569 R C 0.081 176.408 176.300 0.045 0.000 1.043 569 R CA -0.285 55.887 56.100 0.119 0.000 1.083 569 R CB -0.010 30.409 30.300 0.199 0.000 0.974 569 R HN 0.534 nan 8.270 nan 0.000 0.436 570 I N 5.607 126.174 120.570 -0.006 0.000 2.421 570 I HA 0.108 4.269 4.170 -0.014 0.000 0.291 570 I C 0.307 176.320 176.117 -0.174 0.000 1.089 570 I CA 0.580 61.830 61.300 -0.083 0.000 1.354 570 I CB -0.348 37.599 38.000 -0.089 0.000 1.413 570 I HN 0.450 nan 8.210 nan 0.000 0.513 571 H N 4.390 123.383 119.070 -0.128 0.000 2.961 571 H HA 0.237 4.784 4.556 -0.014 0.000 0.371 571 H C 0.454 175.672 175.328 -0.184 0.000 1.190 571 H CA -0.487 55.520 56.048 -0.068 0.000 1.138 571 H CB 2.095 31.722 29.762 -0.225 0.000 1.816 571 H HN 0.483 nan 8.280 nan 0.000 0.551 572 E N 1.071 121.327 120.200 0.093 0.000 2.110 572 E HA -0.207 4.135 4.350 -0.014 0.000 0.193 572 E C 1.479 177.773 176.600 -0.510 0.000 0.988 572 E CA 1.480 57.842 56.400 -0.064 0.000 0.804 572 E CB -0.007 29.833 29.700 0.234 0.000 0.745 572 E HN 0.552 nan 8.360 nan 0.000 0.458 573 Y N 1.041 120.729 120.300 -1.020 0.000 2.352 573 Y HA -0.047 4.494 4.550 -0.014 0.000 0.292 573 Y C 1.402 177.040 175.900 -0.438 0.000 1.136 573 Y CA 0.720 58.132 58.100 -1.146 0.000 1.227 573 Y CB -0.001 37.871 38.460 -0.979 0.000 0.991 573 Y HN -0.174 nan 8.280 nan 0.000 0.545 574 K N 1.023 120.988 120.400 -0.726 0.000 2.418 574 K HA 0.074 4.386 4.320 -0.014 0.000 0.195 574 K C 0.174 176.613 176.600 -0.270 0.000 1.035 574 K CA 0.427 56.410 56.287 -0.507 0.000 1.003 574 K CB -0.190 32.028 32.500 -0.471 0.000 0.793 574 K HN 0.379 nan 8.250 nan 0.000 0.494 575 R N 1.452 121.813 120.500 -0.231 0.000 3.205 575 R HA -0.181 4.150 4.340 -0.014 0.000 0.249 575 R C 0.340 176.564 176.300 -0.126 0.000 0.937 575 R CA 0.153 56.167 56.100 -0.144 0.000 0.641 575 R CB -1.616 28.616 30.300 -0.113 0.000 1.114 575 R HN 0.238 nan 8.270 nan 0.000 0.451 576 Q N 0.155 119.882 119.800 -0.121 0.000 2.291 576 Q HA -0.034 4.298 4.340 -0.014 0.000 0.205 576 Q C 1.821 177.776 176.000 -0.076 0.000 0.970 576 Q CA 1.246 56.991 55.803 -0.097 0.000 0.876 576 Q CB 0.093 28.779 28.738 -0.087 0.000 0.935 576 Q HN 0.609 nan 8.270 nan 0.000 0.455 577 L N -0.635 120.545 121.223 -0.071 0.000 2.131 577 L HA -0.165 4.166 4.340 -0.014 0.000 0.210 577 L C 1.918 178.790 176.870 0.005 0.000 1.092 577 L CA 0.506 55.318 54.840 -0.046 0.000 0.759 577 L CB -0.285 41.754 42.059 -0.033 0.000 0.903 577 L HN 0.289 nan 8.230 nan 0.000 0.435 578 L N -0.141 121.079 121.223 -0.005 0.000 2.093 578 L HA -0.195 4.136 4.340 -0.014 0.000 0.208 578 L C 2.015 178.947 176.870 0.103 0.000 1.085 578 L CA 1.746 56.607 54.840 0.035 0.000 0.755 578 L CB -0.747 41.238 42.059 -0.122 0.000 0.904 578 L HN 0.275 nan 8.230 nan 0.000 0.435 579 N N -1.814 116.907 118.700 0.036 0.000 2.188 579 N HA -0.213 4.519 4.740 -0.014 0.000 0.184 579 N C 1.924 177.514 175.510 0.132 0.000 1.018 579 N CA 1.325 54.470 53.050 0.157 0.000 0.858 579 N CB -0.076 38.440 38.487 0.048 0.000 0.989 579 N HN 0.460 nan 8.380 nan 0.000 0.426 580 C N 0.662 119.978 119.300 0.027 0.000 2.413 580 C HA -0.063 4.389 4.460 -0.014 0.000 0.276 580 C C 2.584 177.572 174.990 -0.004 0.000 1.248 580 C CA 0.361 59.348 59.018 -0.052 0.000 1.742 580 C CB -1.200 26.464 27.740 -0.128 0.000 2.017 580 C HN 0.517 nan 8.230 nan 0.000 0.481 581 L N -0.311 120.974 121.223 0.103 0.000 2.083 581 L HA -0.195 4.136 4.340 -0.014 0.000 0.209 581 L C 2.707 179.732 176.870 0.259 0.000 1.083 581 L CA 1.755 56.703 54.840 0.180 0.000 0.752 581 L CB -1.119 41.110 42.059 0.284 0.000 0.899 581 L HN 0.609 nan 8.230 nan 0.000 0.433 582 H N -0.116 119.075 119.070 0.202 0.000 2.357 582 H HA -0.116 4.432 4.556 -0.014 0.000 0.301 582 H C 2.181 177.511 175.328 0.002 0.000 1.082 582 H CA 1.708 57.797 56.048 0.069 0.000 1.342 582 H CB 0.446 30.215 29.762 0.012 0.000 1.389 582 H HN 0.102 nan 8.280 nan 0.000 0.511 583 V N 1.432 121.204 119.914 -0.236 0.000 2.307 583 V HA -0.249 3.862 4.120 -0.014 0.000 0.245 583 V C 2.833 178.847 176.094 -0.134 0.000 1.045 583 V CA 1.655 63.804 62.300 -0.252 0.000 1.024 583 V CB -0.502 31.230 31.823 -0.151 0.000 0.651 583 V HN 0.368 nan 8.190 nan 0.000 0.449 584 I N 0.078 120.608 120.570 -0.066 0.000 2.163 584 I HA -0.283 3.878 4.170 -0.014 0.000 0.243 584 I C 2.591 178.776 176.117 0.113 0.000 1.085 584 I CA 1.978 63.327 61.300 0.082 0.000 1.347 584 I CB -0.782 37.248 38.000 0.050 0.000 1.044 584 I HN 0.333 nan 8.210 nan 0.000 0.408 585 T N 1.283 115.857 114.554 0.033 0.000 2.624 585 T HA -0.238 4.104 4.350 -0.014 0.000 0.268 585 T C 1.876 176.546 174.700 -0.050 0.000 1.041 585 T CA 1.563 63.671 62.100 0.013 0.000 1.159 585 T CB -0.430 68.458 68.868 0.033 0.000 0.863 585 T HN 0.102 nan 8.240 nan 0.000 0.434 586 L N 0.011 121.149 121.223 -0.142 0.000 2.013 586 L HA -0.100 4.232 4.340 -0.014 0.000 0.212 586 L C 2.159 178.999 176.870 -0.050 0.000 1.073 586 L CA 1.722 56.474 54.840 -0.147 0.000 0.753 586 L CB -0.970 40.941 42.059 -0.246 0.000 0.890 586 L HN 0.363 nan 8.230 nan 0.000 0.432 587 Y N 0.143 120.389 120.300 -0.089 0.000 2.145 587 Y HA -0.251 4.290 4.550 -0.015 0.000 0.286 587 Y C 2.457 178.339 175.900 -0.029 0.000 1.145 587 Y CA 1.898 59.980 58.100 -0.030 0.000 1.148 587 Y CB -0.377 38.111 38.460 0.046 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.384 119.014 118.700 -0.117 0.000 2.166 588 N HA -0.131 4.601 4.740 -0.014 0.000 0.186 588 N C 1.923 177.317 175.510 -0.193 0.000 1.019 588 N CA 1.508 54.432 53.050 -0.210 0.000 0.856 588 N CB -0.342 38.095 38.487 -0.083 0.000 0.993 588 N HN 0.425 nan 8.380 nan 0.000 0.426 589 R N 0.765 121.185 120.500 -0.132 0.000 2.075 589 R HA 0.030 4.361 4.340 -0.014 0.000 0.232 589 R C 2.122 178.343 176.300 -0.131 0.000 1.126 589 R CA 1.060 57.092 56.100 -0.113 0.000 0.963 589 R CB -0.322 29.924 30.300 -0.089 0.000 0.858 589 R HN 0.390 nan 8.270 nan 0.000 0.435 590 I N -1.618 118.859 120.570 -0.154 0.000 3.428 590 I HA 0.024 4.186 4.170 -0.014 0.000 0.286 590 I C 0.990 177.000 176.117 -0.178 0.000 1.287 590 I CA 0.752 61.967 61.300 -0.142 0.000 1.396 590 I CB -0.005 37.925 38.000 -0.116 0.000 1.062 590 I HN -0.113 nan 8.210 nan 0.000 0.471 591 K N 2.090 122.327 120.400 -0.272 0.000 2.243 591 K HA -0.058 4.254 4.320 -0.014 0.000 0.201 591 K C 1.957 178.458 176.600 -0.165 0.000 1.051 591 K CA 0.977 57.105 56.287 -0.265 0.000 0.970 591 K CB -0.093 32.171 32.500 -0.392 0.000 0.755 591 K HN 0.312 nan 8.250 nan 0.000 0.465 592 K N 1.867 122.178 120.400 -0.150 0.000 2.076 592 K HA -0.052 4.260 4.320 -0.014 0.000 0.204 592 K C 0.154 176.708 176.600 -0.076 0.000 1.051 592 K CA 1.207 57.432 56.287 -0.104 0.000 0.949 592 K CB 0.344 32.784 32.500 -0.099 0.000 0.726 592 K HN -0.015 nan 8.250 nan 0.000 0.443 593 E N 0.601 120.756 120.200 -0.074 0.000 2.795 593 E HA 0.173 4.514 4.350 -0.014 0.000 0.226 593 E C -2.378 174.192 176.600 -0.049 0.000 1.088 593 E CA -1.746 54.624 56.400 -0.050 0.000 0.812 593 E CB 1.684 31.360 29.700 -0.039 0.000 1.328 593 E HN 0.130 nan 8.360 nan 0.000 0.410 594 P HA -0.108 nan 4.420 nan 0.000 0.217 594 P C 0.433 177.725 177.300 -0.014 0.000 1.150 594 P CA 1.129 64.207 63.100 -0.037 0.000 0.832 594 P CB 0.251 31.932 31.700 -0.031 0.000 0.787 595 N N -1.183 117.517 118.700 -0.001 0.000 2.295 595 N HA 0.029 4.760 4.740 -0.014 0.000 0.221 595 N C 0.286 175.819 175.510 0.039 0.000 1.129 595 N CA -0.049 53.013 53.050 0.020 0.000 0.836 595 N CB 0.025 38.522 38.487 0.016 0.000 1.040 595 N HN 0.020 nan 8.380 nan 0.000 0.494 596 K N 1.087 121.506 120.400 0.031 0.000 2.156 596 K HA 0.153 4.465 4.320 -0.014 0.000 0.271 596 K C -0.927 175.727 176.600 0.090 0.000 0.995 596 K CA -0.587 55.734 56.287 0.057 0.000 0.890 596 K CB 0.671 33.183 32.500 0.020 0.000 1.073 596 K HN -0.063 nan 8.250 nan 0.000 0.454 597 F N 4.684 124.623 119.950 -0.017 0.000 2.484 597 F HA 0.216 4.734 4.527 -0.015 0.000 0.360 597 F C -0.442 175.347 175.800 -0.019 0.000 1.101 597 F CA -0.002 57.988 58.000 -0.015 0.000 1.251 597 F CB 0.676 39.668 39.000 -0.013 0.000 1.132 597 F HN 0.209 nan 8.300 nan 0.000 0.570 598 V N 3.865 123.252 119.914 -0.879 0.000 2.925 598 V HA 0.526 4.638 4.120 -0.014 0.000 0.311 598 V C -0.803 174.670 176.094 -1.035 0.000 1.104 598 V CA -1.252 60.653 62.300 -0.658 0.000 0.954 598 V CB 0.945 32.566 31.823 -0.337 0.000 1.022 598 V HN 0.586 nan 8.190 nan 0.000 0.427 599 V N 4.350 123.927 119.914 -0.563 0.000 2.529 599 V HA 0.221 4.332 4.120 -0.014 0.000 0.292 599 V C -1.866 174.068 176.094 -0.267 0.000 1.028 599 V CA -0.462 61.639 62.300 -0.331 0.000 1.074 599 V CB 0.698 32.468 31.823 -0.087 0.000 0.958 599 V HN 0.918 nan 8.190 nan 0.000 0.481 600 P HA 0.426 nan 4.420 nan 0.000 0.275 600 P C -0.612 176.613 177.300 -0.126 0.000 1.227 600 P CA -0.261 62.760 63.100 -0.133 0.000 0.781 600 P CB 0.591 32.259 31.700 -0.053 0.000 0.906 601 R N 0.892 121.328 120.500 -0.105 0.000 2.673 601 R HA 0.560 4.891 4.340 -0.014 0.000 0.281 601 R C -0.884 175.385 176.300 -0.052 0.000 0.991 601 R CA -0.603 55.435 56.100 -0.103 0.000 0.896 601 R CB 1.946 32.168 30.300 -0.129 0.000 1.201 601 R HN 0.293 nan 8.270 nan 0.000 0.457 602 T N 1.960 116.506 114.554 -0.013 0.000 2.821 602 T HA 0.192 4.533 4.350 -0.014 0.000 0.307 602 T C -0.724 173.905 174.700 -0.119 0.000 1.034 602 T CA -0.514 61.536 62.100 -0.084 0.000 0.953 602 T CB 1.155 69.902 68.868 -0.203 0.000 0.968 602 T HN 0.295 nan 8.240 nan 0.000 0.462 603 V N 6.006 125.850 119.914 -0.116 0.000 2.383 603 V HA 0.652 4.763 4.120 -0.014 0.000 0.275 603 V C -0.608 175.404 176.094 -0.136 0.000 1.036 603 V CA -0.627 61.606 62.300 -0.111 0.000 0.889 603 V CB 0.664 32.439 31.823 -0.081 0.000 0.985 603 V HN 0.888 nan 8.190 nan 0.000 0.459 604 M N 7.955 127.461 119.600 -0.156 0.000 2.125 604 M HA 0.582 5.054 4.480 -0.014 0.000 0.321 604 M C -1.016 175.162 176.300 -0.204 0.000 0.983 604 M CA -0.171 55.019 55.300 -0.184 0.000 0.934 604 M CB 1.860 34.340 32.600 -0.200 0.000 1.542 604 M HN 0.500 nan 8.290 nan 0.000 0.424 605 I N 1.958 122.382 120.570 -0.242 0.000 2.509 605 I HA 0.865 5.026 4.170 -0.014 0.000 0.293 605 I C 0.205 175.984 176.117 -0.562 0.000 1.020 605 I CA -0.691 60.445 61.300 -0.273 0.000 1.088 605 I CB 2.260 40.185 38.000 -0.126 0.000 1.267 605 I HN 0.773 nan 8.210 nan 0.000 0.430 606 G N 2.841 111.288 108.800 -0.588 0.000 2.718 606 G HA2 0.801 4.753 3.960 -0.014 0.000 0.295 606 G HA3 0.801 4.753 3.960 -0.014 0.000 0.295 606 G C -1.086 173.564 174.900 -0.417 0.000 1.421 606 G CA -0.645 43.965 45.100 -0.816 0.000 0.902 606 G HN 0.990 nan 8.290 nan 0.000 0.501 607 G N -0.390 108.355 108.800 -0.092 0.000 2.347 607 G HA2 0.460 4.412 3.960 -0.014 0.000 0.303 607 G HA3 0.460 4.412 3.960 -0.014 0.000 0.303 607 G C -1.457 173.610 174.900 0.278 0.000 1.481 607 G CA -1.025 44.155 45.100 0.133 0.000 0.914 607 G HN 0.612 nan 8.290 nan 0.000 0.638 608 K N 0.293 120.826 120.400 0.222 0.000 2.123 608 K HA 0.760 5.071 4.320 -0.014 0.000 0.259 608 K C -2.372 174.332 176.600 0.174 0.000 0.960 608 K CA -1.054 55.361 56.287 0.212 0.000 0.872 608 K CB 2.583 35.120 32.500 0.062 0.000 1.079 608 K HN 0.526 nan 8.250 nan 0.000 0.440 609 P HA 0.393 nan 4.420 nan 0.000 0.301 609 P C -1.066 176.395 177.300 0.267 0.000 1.337 609 P CA -0.669 62.508 63.100 0.128 0.000 0.889 609 P CB 1.365 33.073 31.700 0.014 0.000 1.050 610 A N 5.059 128.024 122.820 0.242 0.000 2.498 610 A HA 0.351 4.663 4.320 -0.014 0.000 0.239 610 A C -1.133 176.549 177.584 0.162 0.000 1.068 610 A CA -0.442 51.754 52.037 0.264 0.000 0.766 610 A CB -0.632 18.488 19.000 0.199 0.000 1.003 610 A HN 0.466 nan 8.150 nan 0.000 0.497 611 P HA -0.170 nan 4.420 nan 0.000 0.217 611 P C 1.439 178.735 177.300 -0.007 0.000 1.151 611 P CA 2.066 65.120 63.100 -0.076 0.000 0.849 611 P CB 0.204 31.800 31.700 -0.174 0.000 0.787 612 G N -3.011 105.808 108.800 0.032 0.000 2.985 612 G HA2 -0.145 3.807 3.960 -0.014 0.000 0.209 612 G HA3 -0.145 3.807 3.960 -0.014 0.000 0.209 612 G C -0.019 174.935 174.900 0.090 0.000 1.165 612 G CA -0.029 45.093 45.100 0.038 0.000 0.776 612 G HN 0.196 nan 8.290 nan 0.000 0.541 613 Y N 2.154 122.406 120.300 -0.079 0.000 2.636 613 Y HA 0.215 4.757 4.550 -0.014 0.000 0.341 613 Y C 1.401 177.290 175.900 -0.019 0.000 1.169 613 Y CA -1.883 56.155 58.100 -0.103 0.000 1.498 613 Y CB -0.793 37.567 38.460 -0.165 0.000 1.362 613 Y HN 0.374 nan 8.280 nan 0.000 0.494 614 H N 3.595 122.750 119.070 0.142 0.000 2.289 614 H HA -0.230 4.318 4.556 -0.014 0.000 0.296 614 H C 1.642 176.975 175.328 0.008 0.000 1.091 614 H CA 2.296 58.381 56.048 0.062 0.000 1.274 614 H CB 0.414 30.216 29.762 0.068 0.000 1.364 614 H HN 0.606 nan 8.280 nan 0.000 0.490 615 M N 1.004 120.444 119.600 -0.267 0.000 2.086 615 M HA -0.084 4.388 4.480 -0.014 0.000 0.261 615 M C 2.587 178.595 176.300 -0.486 0.000 1.067 615 M CA 1.866 56.958 55.300 -0.345 0.000 1.116 615 M CB -0.772 31.778 32.600 -0.083 0.000 1.348 615 M HN 0.354 nan 8.290 nan 0.000 0.407 616 A N -0.514 121.762 122.820 -0.906 0.000 1.972 616 A HA -0.193 4.119 4.320 -0.014 0.000 0.219 616 A C 2.188 179.558 177.584 -0.356 0.000 1.169 616 A CA 1.768 53.370 52.037 -0.725 0.000 0.635 616 A CB -0.677 17.676 19.000 -1.079 0.000 0.810 616 A HN 0.575 nan 8.150 nan 0.000 0.446 617 K N -1.149 119.099 120.400 -0.253 0.000 2.097 617 K HA -0.070 4.241 4.320 -0.014 0.000 0.205 617 K C 1.902 178.493 176.600 -0.014 0.000 1.050 617 K CA 1.288 57.538 56.287 -0.061 0.000 0.938 617 K CB -0.228 32.305 32.500 0.055 0.000 0.718 617 K HN 0.365 nan 8.250 nan 0.000 0.442 618 M N 0.512 120.059 119.600 -0.089 0.000 2.175 618 M HA -0.065 4.406 4.480 -0.014 0.000 0.264 618 M C 2.135 178.377 176.300 -0.096 0.000 1.063 618 M CA 1.353 56.631 55.300 -0.038 0.000 1.119 618 M CB -0.653 31.897 32.600 -0.084 0.000 1.377 618 M HN 0.112 nan 8.290 nan 0.000 0.415 619 I N -0.122 120.346 120.570 -0.169 0.000 2.252 619 I HA -0.298 3.864 4.170 -0.014 0.000 0.245 619 I C 2.288 178.269 176.117 -0.226 0.000 1.102 619 I CA 1.088 62.275 61.300 -0.188 0.000 1.385 619 I CB -0.375 37.511 38.000 -0.188 0.000 1.064 619 I HN 0.161 nan 8.210 nan 0.000 0.414 620 I N 0.779 121.187 120.570 -0.271 0.000 2.194 620 I HA -0.329 3.832 4.170 -0.014 0.000 0.246 620 I C 2.604 178.427 176.117 -0.489 0.000 1.093 620 I CA 1.344 62.370 61.300 -0.457 0.000 1.355 620 I CB -0.340 37.340 38.000 -0.533 0.000 1.046 620 I HN 0.164 nan 8.210 nan 0.000 0.413 621 K N 1.339 121.459 120.400 -0.467 0.000 2.097 621 K HA -0.134 4.178 4.320 -0.014 0.000 0.206 621 K C 2.009 178.447 176.600 -0.271 0.000 1.049 621 K CA 1.467 57.402 56.287 -0.586 0.000 0.933 621 K CB -0.514 31.367 32.500 -1.032 0.000 0.717 621 K HN 0.224 nan 8.250 nan 0.000 0.442 622 L N 0.413 121.499 121.223 -0.228 0.000 2.017 622 L HA -0.166 4.165 4.340 -0.014 0.000 0.208 622 L C 2.171 178.804 176.870 -0.395 0.000 1.073 622 L CA 1.714 56.252 54.840 -0.503 0.000 0.745 622 L CB -0.327 41.361 42.059 -0.617 0.000 0.894 622 L HN 0.255 nan 8.230 nan 0.000 0.432 623 I N -0.325 120.071 120.570 -0.290 0.000 2.226 623 I HA -0.318 3.844 4.170 -0.014 0.000 0.245 623 I C 2.600 178.615 176.117 -0.170 0.000 1.100 623 I CA 1.868 63.053 61.300 -0.191 0.000 1.374 623 I CB -0.702 37.281 38.000 -0.029 0.000 1.057 623 I HN 0.409 nan 8.210 nan 0.000 0.413 624 T N -0.771 113.659 114.554 -0.207 0.000 2.857 624 T HA -0.012 4.330 4.350 -0.014 0.000 0.266 624 T C 2.009 176.629 174.700 -0.134 0.000 1.048 624 T CA 0.843 62.847 62.100 -0.159 0.000 1.139 624 T CB -0.439 68.294 68.868 -0.224 0.000 0.874 624 T HN 0.335 nan 8.240 nan 0.000 0.455 625 A N 1.196 123.932 122.820 -0.140 0.000 2.019 625 A HA 0.159 4.470 4.320 -0.014 0.000 0.219 625 A C 2.294 179.838 177.584 -0.066 0.000 1.164 625 A CA 1.088 53.096 52.037 -0.048 0.000 0.644 625 A CB -0.773 18.276 19.000 0.082 0.000 0.805 625 A HN 0.621 nan 8.150 nan 0.000 0.449 626 I N -0.716 119.716 120.570 -0.230 0.000 2.206 626 I HA -0.100 4.061 4.170 -0.014 0.000 0.239 626 I C 2.773 178.784 176.117 -0.175 0.000 1.078 626 I CA 1.020 62.141 61.300 -0.299 0.000 1.367 626 I CB -0.781 36.948 38.000 -0.451 0.000 1.078 626 I HN 0.348 nan 8.210 nan 0.000 0.413 627 G N 0.574 109.277 108.800 -0.161 0.000 2.469 627 G HA2 -0.293 3.658 3.960 -0.014 0.000 0.220 627 G HA3 -0.293 3.658 3.960 -0.014 0.000 0.220 627 G C 1.252 176.048 174.900 -0.173 0.000 1.136 627 G CA 1.159 46.167 45.100 -0.154 0.000 0.759 627 G HN 0.272 nan 8.290 nan 0.000 0.562 628 D N 0.085 120.429 120.400 -0.094 0.000 2.127 628 D HA -0.126 4.505 4.640 -0.014 0.000 0.190 628 D C 2.776 179.084 176.300 0.014 0.000 1.000 628 D CA 1.248 55.246 54.000 -0.003 0.000 0.839 628 D CB -0.600 40.229 40.800 0.048 0.000 0.955 628 D HN 0.203 nan 8.370 nan 0.000 0.446 629 V N 0.318 120.222 119.914 -0.018 0.000 2.244 629 V HA -0.186 3.926 4.120 -0.014 0.000 0.244 629 V C 2.656 178.673 176.094 -0.129 0.000 1.042 629 V CA 1.092 63.359 62.300 -0.055 0.000 1.006 629 V CB -0.471 31.322 31.823 -0.051 0.000 0.641 629 V HN 0.047 nan 8.190 nan 0.000 0.446 630 V N 0.882 120.651 119.914 -0.242 0.000 2.343 630 V HA -0.202 3.909 4.120 -0.014 0.000 0.247 630 V C 1.970 177.998 176.094 -0.111 0.000 1.051 630 V CA 2.008 64.176 62.300 -0.220 0.000 1.036 630 V CB -0.830 30.860 31.823 -0.222 0.000 0.654 630 V HN 0.592 nan 8.190 nan 0.000 0.451 631 N N -0.748 117.810 118.700 -0.237 0.000 2.461 631 N HA -0.021 4.711 4.740 -0.014 0.000 0.188 631 N C 1.080 176.359 175.510 -0.385 0.000 1.134 631 N CA 0.618 53.488 53.050 -0.301 0.000 0.878 631 N CB -0.183 38.066 38.487 -0.397 0.000 0.972 631 N HN 0.684 nan 8.380 nan 0.000 0.456 632 H N -1.457 117.625 119.070 0.019 0.000 2.784 632 H HA 0.180 4.728 4.556 -0.014 0.000 0.273 632 H C -0.360 174.999 175.328 0.051 0.000 1.112 632 H CA -0.513 55.552 56.048 0.027 0.000 1.162 632 H CB 0.942 30.709 29.762 0.009 0.000 1.586 632 H HN 0.017 nan 8.280 nan 0.000 0.548 633 D N 2.605 123.097 120.400 0.154 0.000 2.348 633 D HA -0.003 4.629 4.640 -0.014 0.000 0.253 633 D C -1.360 175.018 176.300 0.129 0.000 1.161 633 D CA -1.607 52.499 54.000 0.177 0.000 0.876 633 D CB 1.761 42.746 40.800 0.308 0.000 1.160 633 D HN 0.196 nan 8.370 nan 0.000 0.459 634 P HA -0.079 nan 4.420 nan 0.000 0.222 634 P C 1.536 178.871 177.300 0.058 0.000 1.153 634 P CA 0.224 63.368 63.100 0.073 0.000 0.798 634 P CB 0.591 32.326 31.700 0.059 0.000 0.796 635 V N 0.216 120.163 119.914 0.056 0.000 2.626 635 V HA -0.137 3.974 4.120 -0.014 0.000 0.252 635 V C 2.758 178.869 176.094 0.028 0.000 1.067 635 V CA 1.330 63.648 62.300 0.030 0.000 1.081 635 V CB -0.692 31.137 31.823 0.011 0.000 0.686 635 V HN -0.048 nan 8.190 nan 0.000 0.468 636 V N -0.342 119.607 119.914 0.058 0.000 2.488 636 V HA 0.143 4.254 4.120 -0.014 0.000 0.246 636 V C 1.867 177.987 176.094 0.043 0.000 1.046 636 V CA 1.362 63.696 62.300 0.057 0.000 1.053 636 V CB -1.001 30.899 31.823 0.129 0.000 0.679 636 V HN 0.691 nan 8.190 nan 0.000 0.458 637 G N 1.691 110.522 108.800 0.053 0.000 2.611 637 G HA2 -0.443 3.509 3.960 -0.014 0.000 0.301 637 G HA3 -0.443 3.509 3.960 -0.014 0.000 0.301 637 G C 0.382 175.310 174.900 0.045 0.000 1.233 637 G CA 0.795 45.925 45.100 0.050 0.000 0.993 637 G HN 0.720 nan 8.290 nan 0.000 0.553 638 D N 0.073 120.500 120.400 0.044 0.000 2.340 638 D HA 0.196 4.827 4.640 -0.014 0.000 0.217 638 D C 1.983 178.291 176.300 0.014 0.000 1.081 638 D CA 0.394 54.419 54.000 0.041 0.000 0.842 638 D CB 0.018 40.858 40.800 0.067 0.000 0.934 638 D HN 0.511 nan 8.370 nan 0.000 0.511 639 R N -0.449 120.048 120.500 -0.005 0.000 2.189 639 R HA 0.123 4.454 4.340 -0.014 0.000 0.223 639 R C -0.108 176.160 176.300 -0.053 0.000 1.092 639 R CA 0.412 56.481 56.100 -0.051 0.000 0.989 639 R CB -0.054 30.198 30.300 -0.080 0.000 0.876 639 R HN 0.236 nan 8.270 nan 0.000 0.457 640 L N 0.840 122.048 121.223 -0.024 0.000 2.562 640 L HA 0.351 4.682 4.340 -0.014 0.000 0.266 640 L C -1.490 175.361 176.870 -0.032 0.000 0.949 640 L CA -0.459 54.362 54.840 -0.032 0.000 0.879 640 L CB 1.727 43.779 42.059 -0.011 0.000 1.278 640 L HN -0.186 nan 8.230 nan 0.000 0.404 641 R N 3.879 124.346 120.500 -0.056 0.000 2.686 641 R HA 0.805 5.136 4.340 -0.014 0.000 0.286 641 R C -1.457 174.785 176.300 -0.097 0.000 0.969 641 R CA -0.831 55.223 56.100 -0.076 0.000 0.898 641 R CB 2.312 32.567 30.300 -0.074 0.000 1.183 641 R HN 0.384 nan 8.270 nan 0.000 0.456 642 V N 4.357 124.205 119.914 -0.110 0.000 2.409 642 V HA 0.542 4.654 4.120 -0.014 0.000 0.291 642 V C 0.141 176.174 176.094 -0.101 0.000 1.020 642 V CA -0.648 61.585 62.300 -0.112 0.000 0.848 642 V CB 1.892 33.641 31.823 -0.124 0.000 0.990 642 V HN 0.594 nan 8.190 nan 0.000 0.430 643 I N 4.506 125.016 120.570 -0.101 0.000 2.466 643 I HA 0.434 4.595 4.170 -0.014 0.000 0.289 643 I C -1.129 174.935 176.117 -0.089 0.000 1.026 643 I CA -0.590 60.659 61.300 -0.084 0.000 1.078 643 I CB 2.310 40.247 38.000 -0.104 0.000 1.249 643 I HN 0.566 nan 8.210 nan 0.000 0.429 644 F N 7.648 127.531 119.950 -0.113 0.000 2.411 644 F HA 0.356 4.875 4.527 -0.014 0.000 0.355 644 F C -0.472 175.264 175.800 -0.107 0.000 1.117 644 F CA -0.522 57.412 58.000 -0.110 0.000 1.139 644 F CB 0.782 39.714 39.000 -0.113 0.000 1.120 644 F HN 0.200 nan 8.300 nan 0.000 0.493 645 L N 6.446 127.194 121.223 -0.791 0.000 2.334 645 L HA 0.191 4.523 4.340 -0.014 0.000 0.286 645 L C 0.257 176.865 176.870 -0.437 0.000 1.108 645 L CA 0.022 54.585 54.840 -0.461 0.000 0.875 645 L CB -0.184 41.672 42.059 -0.339 0.000 1.246 645 L HN 0.607 nan 8.230 nan 0.000 0.439 646 E N 2.907 122.952 120.200 -0.259 0.000 2.413 646 E HA -0.103 4.239 4.350 -0.014 0.000 0.263 646 E C 0.580 177.214 176.600 0.056 0.000 1.015 646 E CA -0.077 56.298 56.400 -0.042 0.000 0.916 646 E CB 0.291 29.866 29.700 -0.208 0.000 0.947 646 E HN 0.530 nan 8.360 nan 0.000 0.440 647 N N 2.503 121.317 118.700 0.190 0.000 2.686 647 N HA -0.294 4.438 4.740 -0.014 0.000 0.261 647 N C -1.567 174.059 175.510 0.193 0.000 1.001 647 N CA 0.601 53.773 53.050 0.204 0.000 0.764 647 N CB -1.279 37.341 38.487 0.221 0.000 0.898 647 N HN 0.446 nan 8.380 nan 0.000 0.544 648 Y N 1.481 121.815 120.300 0.058 0.000 2.610 648 Y HA 0.257 4.798 4.550 -0.015 0.000 0.332 648 Y C 1.117 177.052 175.900 0.058 0.000 1.201 648 Y CA 0.471 58.590 58.100 0.031 0.000 1.465 648 Y CB 0.395 38.839 38.460 -0.026 0.000 1.283 648 Y HN 0.448 nan 8.280 nan 0.000 0.563 649 R N 2.201 122.335 120.500 -0.610 0.000 2.756 649 R HA 0.442 4.773 4.340 -0.014 0.000 0.273 649 R C -0.470 175.497 176.300 -0.555 0.000 1.030 649 R CA -0.618 55.231 56.100 -0.418 0.000 0.887 649 R CB 0.282 30.540 30.300 -0.071 0.000 1.274 649 R HN 0.350 nan 8.270 nan 0.000 0.461 650 V N 1.018 120.636 119.914 -0.493 0.000 2.282 650 V HA -0.298 3.813 4.120 -0.014 0.000 0.249 650 V C 2.481 178.454 176.094 -0.200 0.000 1.057 650 V CA 2.890 64.962 62.300 -0.380 0.000 1.032 650 V CB -0.762 30.786 31.823 -0.458 0.000 0.645 650 V HN 0.918 nan 8.190 nan 0.000 0.447 651 S N -0.197 115.414 115.700 -0.148 0.000 2.428 651 S HA -0.112 4.349 4.470 -0.014 0.000 0.230 651 S C 1.881 176.443 174.600 -0.063 0.000 1.014 651 S CA 1.330 59.471 58.200 -0.099 0.000 0.957 651 S CB -0.419 62.748 63.200 -0.056 0.000 0.784 651 S HN 0.397 nan 8.310 nan 0.000 0.499 652 L N 2.042 123.238 121.223 -0.044 0.000 2.156 652 L HA 0.328 4.659 4.340 -0.014 0.000 0.208 652 L C 2.563 179.452 176.870 0.031 0.000 1.095 652 L CA 1.344 56.204 54.840 0.033 0.000 0.770 652 L CB -1.271 40.879 42.059 0.152 0.000 0.914 652 L HN 0.336 nan 8.230 nan 0.000 0.439 653 A N -0.634 122.181 122.820 -0.007 0.000 1.933 653 A HA -0.209 4.103 4.320 -0.014 0.000 0.218 653 A C 2.100 179.731 177.584 0.077 0.000 1.175 653 A CA 1.675 53.773 52.037 0.100 0.000 0.628 653 A CB -0.594 18.456 19.000 0.085 0.000 0.814 653 A HN 0.602 nan 8.150 nan 0.000 0.444 654 E N -0.496 119.746 120.200 0.071 0.000 2.409 654 E HA -0.140 4.201 4.350 -0.014 0.000 0.198 654 E C 1.698 178.274 176.600 -0.040 0.000 1.024 654 E CA 1.033 57.445 56.400 0.020 0.000 0.861 654 E CB -0.012 29.619 29.700 -0.116 0.000 0.788 654 E HN 0.629 nan 8.360 nan 0.000 0.521 655 K N -0.242 120.116 120.400 -0.071 0.000 2.240 655 K HA 0.016 4.327 4.320 -0.014 0.000 0.202 655 K C 2.101 178.547 176.600 -0.257 0.000 1.053 655 K CA 0.657 56.898 56.287 -0.076 0.000 0.973 655 K CB 0.411 32.868 32.500 -0.070 0.000 0.924 655 K HN -0.043 nan 8.250 nan 0.000 0.477 656 V N 1.155 120.791 119.914 -0.462 0.000 2.548 656 V HA -0.144 3.967 4.120 -0.014 0.000 0.249 656 V C 2.111 177.947 176.094 -0.430 0.000 1.055 656 V CA 1.353 63.184 62.300 -0.781 0.000 1.065 656 V CB -0.666 30.805 31.823 -0.588 0.000 0.681 656 V HN 0.200 nan 8.190 nan 0.000 0.462 657 I N 0.339 120.687 120.570 -0.371 0.000 2.353 657 I HA -0.074 4.087 4.170 -0.014 0.000 0.248 657 I C -0.145 175.834 176.117 -0.230 0.000 1.119 657 I CA 1.196 62.188 61.300 -0.514 0.000 1.417 657 I CB -1.257 36.317 38.000 -0.710 0.000 1.078 657 I HN 0.336 nan 8.210 nan 0.000 0.421 658 P HA -0.147 nan 4.420 nan 0.000 0.219 658 P C 1.169 178.472 177.300 0.005 0.000 1.146 658 P CA 1.378 64.458 63.100 -0.035 0.000 0.808 658 P CB 0.081 31.771 31.700 -0.015 0.000 0.779 659 A N -1.237 121.576 122.820 -0.011 0.000 2.238 659 A HA 0.424 4.735 4.320 -0.014 0.000 0.210 659 A C 1.194 178.883 177.584 0.175 0.000 1.179 659 A CA 0.202 52.290 52.037 0.085 0.000 0.827 659 A CB -0.745 18.319 19.000 0.106 0.000 0.856 659 A HN 0.195 nan 8.150 nan 0.000 0.488 660 A N -0.121 122.791 122.820 0.154 0.000 2.371 660 A HA 0.453 4.765 4.320 -0.014 0.000 0.257 660 A C 0.391 178.116 177.584 0.235 0.000 1.089 660 A CA -0.088 52.101 52.037 0.253 0.000 0.794 660 A CB 0.324 19.570 19.000 0.410 0.000 1.029 660 A HN 0.275 nan 8.150 nan 0.000 0.488 661 D N 0.154 120.692 120.400 0.229 0.000 2.394 661 D HA 0.142 4.773 4.640 -0.014 0.000 0.226 661 D C 0.016 176.543 176.300 0.379 0.000 0.990 661 D CA 0.676 54.877 54.000 0.335 0.000 0.902 661 D CB 0.361 41.242 40.800 0.135 0.000 1.038 661 D HN 0.357 nan 8.370 nan 0.000 0.499 662 L N 0.810 122.136 121.223 0.172 0.000 2.410 662 L HA 0.326 4.657 4.340 -0.014 0.000 0.270 662 L C -1.038 175.721 176.870 -0.185 0.000 0.983 662 L CA -0.297 54.567 54.840 0.039 0.000 0.822 662 L CB 2.275 44.351 42.059 0.029 0.000 1.285 662 L HN -0.217 nan 8.230 nan 0.000 0.409 663 S N 3.689 119.167 115.700 -0.370 0.000 2.429 663 S HA 0.348 4.810 4.470 -0.014 0.000 0.302 663 S C -0.462 173.876 174.600 -0.437 0.000 1.115 663 S CA -0.649 57.094 58.200 -0.761 0.000 1.095 663 S CB 0.686 63.287 63.200 -0.999 0.000 0.987 663 S HN 0.555 nan 8.310 nan 0.000 0.474 664 E N 3.812 123.791 120.200 -0.368 0.000 2.152 664 E HA 0.211 4.553 4.350 -0.014 0.000 0.285 664 E C -0.505 175.990 176.600 -0.176 0.000 1.043 664 E CA -0.306 55.984 56.400 -0.183 0.000 0.839 664 E CB 0.987 30.609 29.700 -0.130 0.000 1.069 664 E HN 0.579 nan 8.360 nan 0.000 0.399 665 Q N 3.086 122.832 119.800 -0.091 0.000 3.230 665 Q HA 0.271 4.603 4.340 -0.014 0.000 0.303 665 Q C 0.003 175.982 176.000 -0.035 0.000 0.884 665 Q CA -0.208 55.547 55.803 -0.079 0.000 0.859 665 Q CB 0.509 29.204 28.738 -0.072 0.000 1.432 665 Q HN 0.468 nan 8.270 nan 0.000 0.403 666 I N 0.955 121.495 120.570 -0.049 0.000 3.856 666 I HA 0.005 4.167 4.170 -0.014 0.000 0.333 666 I C 0.290 176.364 176.117 -0.071 0.000 1.525 666 I CA 0.217 61.502 61.300 -0.025 0.000 1.173 666 I CB 0.480 38.431 38.000 -0.080 0.000 1.175 666 I HN 0.106 nan 8.210 nan 0.000 0.424 667 S N -1.150 114.504 115.700 -0.077 0.000 2.592 667 S HA 0.291 4.752 4.470 -0.014 0.000 0.271 667 S C 0.484 175.068 174.600 -0.027 0.000 1.326 667 S CA -0.667 57.504 58.200 -0.049 0.000 1.024 667 S CB 0.435 63.648 63.200 0.022 0.000 0.921 667 S HN 0.249 nan 8.310 nan 0.000 0.527 668 T N 2.715 117.286 114.554 0.028 0.000 2.867 668 T HA 0.380 4.721 4.350 -0.014 0.000 0.297 668 T C 0.766 175.474 174.700 0.015 0.000 0.989 668 T CA 0.107 62.229 62.100 0.038 0.000 1.159 668 T CB -0.077 68.879 68.868 0.146 0.000 0.928 668 T HN 0.968 nan 8.240 nan 0.000 0.538 669 A N 2.874 125.670 122.820 -0.040 0.000 2.584 669 A HA 0.428 4.739 4.320 -0.014 0.000 0.239 669 A C 1.695 179.269 177.584 -0.016 0.000 1.043 669 A CA 0.364 52.372 52.037 -0.047 0.000 0.756 669 A CB -0.859 18.099 19.000 -0.071 0.000 0.963 669 A HN 1.738 nan 8.150 nan 0.000 0.511 670 G N 1.164 109.953 108.800 -0.018 0.000 2.195 670 G HA2 -0.274 3.677 3.960 -0.014 0.000 0.246 670 G HA3 -0.274 3.677 3.960 -0.014 0.000 0.246 670 G C 1.039 175.930 174.900 -0.015 0.000 0.984 670 G CA 1.197 46.288 45.100 -0.015 0.000 0.633 670 G HN 2.051 nan 8.290 nan 0.000 0.525 671 T N -2.126 112.423 114.554 -0.009 0.000 3.039 671 T HA 0.381 4.722 4.350 -0.014 0.000 0.250 671 T C 0.830 175.408 174.700 -0.204 0.000 1.052 671 T CA 1.232 63.272 62.100 -0.099 0.000 1.125 671 T CB 0.447 69.320 68.868 0.007 0.000 0.908 671 T HN 0.315 nan 8.240 nan 0.000 0.473 672 E N 1.352 121.549 120.200 -0.005 0.000 2.044 672 E HA 0.655 4.997 4.350 -0.014 0.000 0.282 672 E C 1.057 177.627 176.600 -0.051 0.000 1.031 672 E CA -0.013 56.424 56.400 0.062 0.000 0.824 672 E CB 0.803 30.584 29.700 0.135 0.000 1.076 672 E HN 0.333 nan 8.360 nan 0.000 0.395 673 A N 3.315 126.042 122.820 -0.156 0.000 1.978 673 A HA -0.151 4.160 4.320 -0.014 0.000 0.220 673 A C 1.904 179.389 177.584 -0.164 0.000 1.170 673 A CA 1.992 53.853 52.037 -0.294 0.000 0.636 673 A CB -0.098 18.427 19.000 -0.791 0.000 0.810 673 A HN 0.591 nan 8.150 nan 0.000 0.448 674 S N -3.765 111.877 115.700 -0.097 0.000 4.471 674 S HA 0.459 4.921 4.470 -0.014 0.000 0.191 674 S C 0.597 175.180 174.600 -0.029 0.000 1.128 674 S CA 1.433 59.610 58.200 -0.039 0.000 1.153 674 S CB -0.048 63.144 63.200 -0.014 0.000 1.583 674 S HN 2.209 nan 8.310 nan 0.000 0.590 675 G N 0.352 109.143 108.800 -0.015 0.000 2.785 675 G HA2 -0.008 3.944 3.960 -0.014 0.000 0.686 675 G HA3 -0.008 3.944 3.960 -0.014 0.000 0.686 675 G C 0.167 175.049 174.900 -0.030 0.000 1.155 675 G CA 0.419 45.509 45.100 -0.016 0.000 0.760 675 G HN 1.256 nan 8.290 nan 0.000 0.624 676 T N -1.337 113.192 114.554 -0.043 0.000 2.993 676 T HA 0.392 4.733 4.350 -0.014 0.000 0.260 676 T C 2.333 176.949 174.700 -0.141 0.000 0.939 676 T CA 1.199 63.251 62.100 -0.080 0.000 0.886 676 T CB 0.550 69.374 68.868 -0.074 0.000 1.209 676 T HN 1.800 nan 8.240 nan 0.000 0.518 677 G N 3.249 111.990 108.800 -0.099 0.000 2.440 677 G HA2 -0.282 3.670 3.960 -0.014 0.000 0.218 677 G HA3 -0.282 3.670 3.960 -0.014 0.000 0.218 677 G C 1.453 176.422 174.900 0.116 0.000 1.154 677 G CA 1.178 46.249 45.100 -0.048 0.000 0.767 677 G HN 0.813 nan 8.290 nan 0.000 0.552 678 N N 0.108 118.833 118.700 0.042 0.000 2.094 678 N HA -0.188 4.544 4.740 -0.014 0.000 0.191 678 N C 2.219 177.725 175.510 -0.006 0.000 1.023 678 N CA 1.519 54.573 53.050 0.006 0.000 0.857 678 N CB -0.367 38.080 38.487 -0.067 0.000 1.013 678 N HN 0.362 nan 8.380 nan 0.000 0.426 679 M N 0.669 120.219 119.600 -0.083 0.000 2.132 679 M HA -0.036 4.435 4.480 -0.014 0.000 0.263 679 M C 2.054 178.329 176.300 -0.042 0.000 1.065 679 M CA 1.492 56.739 55.300 -0.088 0.000 1.122 679 M CB -0.084 32.478 32.600 -0.063 0.000 1.365 679 M HN 0.119 nan 8.290 nan 0.000 0.411 680 K N -0.039 120.274 120.400 -0.144 0.000 2.057 680 K HA -0.114 4.197 4.320 -0.014 0.000 0.207 680 K C 1.678 178.214 176.600 -0.107 0.000 1.049 680 K CA 1.397 57.535 56.287 -0.249 0.000 0.931 680 K CB -0.271 31.840 32.500 -0.648 0.000 0.714 680 K HN 0.174 nan 8.250 nan 0.000 0.440 681 F N 0.882 120.755 119.950 -0.128 0.000 2.186 681 F HA -0.073 4.445 4.527 -0.015 0.000 0.299 681 F C 2.505 178.265 175.800 -0.066 0.000 1.090 681 F CA 1.009 58.955 58.000 -0.089 0.000 1.307 681 F CB -0.184 38.752 39.000 -0.106 0.000 1.019 681 F HN -0.012 nan 8.300 nan 0.000 0.489 682 M N 0.400 120.076 119.600 0.127 0.000 2.229 682 M HA -0.127 4.345 4.480 -0.014 0.000 0.264 682 M C 1.542 177.890 176.300 0.080 0.000 1.063 682 M CA 1.456 56.795 55.300 0.065 0.000 1.114 682 M CB -0.042 32.594 32.600 0.061 0.000 1.387 682 M HN 0.195 nan 8.290 nan 0.000 0.420 683 L N -2.166 119.110 121.223 0.089 0.000 2.591 683 L HA 0.192 4.523 4.340 -0.014 0.000 0.228 683 L C 0.912 177.827 176.870 0.074 0.000 1.133 683 L CA 0.884 55.780 54.840 0.093 0.000 0.880 683 L CB -1.553 40.578 42.059 0.120 0.000 1.033 683 L HN 0.209 nan 8.230 nan 0.000 0.450 684 N N 0.862 119.600 118.700 0.063 0.000 2.203 684 N HA 0.220 4.952 4.740 -0.014 0.000 0.207 684 N C 0.906 176.448 175.510 0.053 0.000 1.130 684 N CA 0.819 53.898 53.050 0.048 0.000 0.861 684 N CB 0.845 39.342 38.487 0.016 0.000 1.005 684 N HN 0.538 nan 8.380 nan 0.000 0.507 685 G N 0.605 109.438 108.800 0.056 0.000 2.165 685 G HA2 -0.157 3.794 3.960 -0.014 0.000 0.226 685 G HA3 -0.157 3.794 3.960 -0.014 0.000 0.226 685 G C -0.092 174.858 174.900 0.084 0.000 1.035 685 G CA 0.117 45.247 45.100 0.050 0.000 0.744 685 G HN 0.511 nan 8.290 nan 0.000 0.501 686 A N -0.621 122.251 122.820 0.087 0.000 2.337 686 A HA 0.914 5.225 4.320 -0.014 0.000 0.331 686 A C -0.256 177.275 177.584 -0.088 0.000 1.137 686 A CA -0.697 51.395 52.037 0.092 0.000 0.807 686 A CB 1.498 20.627 19.000 0.213 0.000 1.250 686 A HN 0.817 nan 8.150 nan 0.000 0.468 687 L N 0.658 121.761 121.223 -0.199 0.000 2.360 687 L HA 0.561 4.892 4.340 -0.014 0.000 0.271 687 L C 0.485 177.173 176.870 -0.304 0.000 1.057 687 L CA 0.399 55.021 54.840 -0.363 0.000 0.803 687 L CB 1.705 43.395 42.059 -0.615 0.000 1.207 687 L HN 0.740 nan 8.230 nan 0.000 0.445 688 T N 4.029 118.303 114.554 -0.467 0.000 2.767 688 T HA 0.486 4.828 4.350 -0.014 0.000 0.284 688 T C -0.157 174.487 174.700 -0.093 0.000 0.973 688 T CA -0.147 61.721 62.100 -0.387 0.000 0.996 688 T CB 0.770 69.262 68.868 -0.627 0.000 0.927 688 T HN 0.442 nan 8.240 nan 0.000 0.456 689 I N 3.113 123.685 120.570 0.003 0.000 2.312 689 I HA 0.689 4.850 4.170 -0.014 0.000 0.290 689 I C 0.162 176.429 176.117 0.251 0.000 1.008 689 I CA 0.091 61.501 61.300 0.185 0.000 1.226 689 I CB 0.121 38.162 38.000 0.069 0.000 1.371 689 I HN 0.760 nan 8.210 nan 0.000 0.468 690 G N 4.064 113.064 108.800 0.334 0.000 2.660 690 G HA2 0.499 4.450 3.960 -0.014 0.000 0.290 690 G HA3 0.499 4.450 3.960 -0.014 0.000 0.290 690 G C -0.865 173.945 174.900 -0.150 0.000 1.432 690 G CA -0.396 44.802 45.100 0.163 0.000 0.807 690 G HN 0.578 nan 8.290 nan 0.000 0.485 691 T N -2.263 112.068 114.554 -0.371 0.000 2.881 691 T HA 0.538 4.880 4.350 -0.014 0.000 0.278 691 T C 0.389 174.945 174.700 -0.239 0.000 0.982 691 T CA -0.548 61.251 62.100 -0.501 0.000 0.989 691 T CB 1.443 70.023 68.868 -0.480 0.000 1.058 691 T HN 0.286 nan 8.240 nan 0.000 0.529 692 M N 2.746 122.217 119.600 -0.214 0.000 3.213 692 M HA 0.405 4.877 4.480 -0.014 0.000 0.275 692 M C -0.898 175.332 176.300 -0.117 0.000 1.424 692 M CA -0.698 54.512 55.300 -0.149 0.000 1.561 692 M CB -1.625 30.895 32.600 -0.133 0.000 1.109 692 M HN 0.698 nan 8.290 nan 0.000 0.552 693 D N 0.782 121.118 120.400 -0.106 0.000 2.527 693 D HA 0.731 5.362 4.640 -0.014 0.000 0.233 693 D C 0.770 177.035 176.300 -0.058 0.000 1.063 693 D CA 0.791 54.748 54.000 -0.072 0.000 0.880 693 D CB 1.543 42.306 40.800 -0.063 0.000 1.457 693 D HN 0.553 nan 8.370 nan 0.000 0.475 694 G N 1.864 110.642 108.800 -0.035 0.000 2.672 694 G HA2 -0.281 3.670 3.960 -0.014 0.000 0.324 694 G HA3 -0.281 3.670 3.960 -0.014 0.000 0.324 694 G C 0.949 175.829 174.900 -0.033 0.000 1.286 694 G CA 1.235 46.319 45.100 -0.027 0.000 1.004 694 G HN 1.034 nan 8.290 nan 0.000 0.548 695 A N -0.131 122.660 122.820 -0.048 0.000 2.251 695 A HA 0.237 4.549 4.320 -0.014 0.000 0.209 695 A C 2.007 179.495 177.584 -0.160 0.000 1.187 695 A CA 1.476 53.472 52.037 -0.068 0.000 0.823 695 A CB -0.316 18.639 19.000 -0.075 0.000 0.846 695 A HN 0.563 nan 8.150 nan 0.000 0.486 696 N N 0.555 119.173 118.700 -0.137 0.000 2.149 696 N HA -0.143 4.589 4.740 -0.014 0.000 0.188 696 N C 1.587 176.943 175.510 -0.258 0.000 1.019 696 N CA 1.578 54.536 53.050 -0.153 0.000 0.857 696 N CB -0.532 37.910 38.487 -0.075 0.000 0.997 696 N HN 0.290 nan 8.380 nan 0.000 0.426 697 V N 1.337 121.145 119.914 -0.177 0.000 2.261 697 V HA -0.208 3.904 4.120 -0.014 0.000 0.246 697 V C 1.976 177.983 176.094 -0.145 0.000 1.047 697 V CA 1.681 63.880 62.300 -0.168 0.000 1.015 697 V CB -0.542 31.221 31.823 -0.099 0.000 0.642 697 V HN 0.326 nan 8.190 nan 0.000 0.446 698 E N -0.447 119.727 120.200 -0.044 0.000 2.150 698 E HA -0.169 4.172 4.350 -0.014 0.000 0.193 698 E C 2.190 178.896 176.600 0.177 0.000 0.985 698 E CA 1.194 57.655 56.400 0.101 0.000 0.814 698 E CB -0.209 29.652 29.700 0.267 0.000 0.752 698 E HN 0.557 nan 8.360 nan 0.000 0.466 699 M N 0.340 119.903 119.600 -0.063 0.000 2.132 699 M HA -0.111 4.360 4.480 -0.014 0.000 0.263 699 M C 2.483 178.567 176.300 -0.360 0.000 1.065 699 M CA 1.469 56.692 55.300 -0.129 0.000 1.122 699 M CB -0.146 32.285 32.600 -0.282 0.000 1.365 699 M HN 0.127 nan 8.290 nan 0.000 0.411 700 A N -0.127 122.191 122.820 -0.838 0.000 1.930 700 A HA -0.194 4.117 4.320 -0.014 0.000 0.217 700 A C 2.008 179.382 177.584 -0.349 0.000 1.175 700 A CA 1.814 53.290 52.037 -0.935 0.000 0.627 700 A CB -0.738 17.752 19.000 -0.850 0.000 0.815 700 A HN 0.575 nan 8.150 nan 0.000 0.443 701 E N -0.390 119.680 120.200 -0.216 0.000 2.106 701 E HA -0.190 4.152 4.350 -0.014 0.000 0.192 701 E C 1.698 178.271 176.600 -0.044 0.000 0.984 701 E CA 1.116 57.456 56.400 -0.101 0.000 0.806 701 E CB -0.029 29.631 29.700 -0.066 0.000 0.750 701 E HN 0.564 nan 8.360 nan 0.000 0.458 702 E N 0.011 120.215 120.200 0.008 0.000 2.072 702 E HA -0.091 4.250 4.350 -0.014 0.000 0.190 702 E C 1.785 178.419 176.600 0.056 0.000 0.982 702 E CA 1.025 57.458 56.400 0.056 0.000 0.803 702 E CB -0.039 29.759 29.700 0.163 0.000 0.755 702 E HN 0.324 nan 8.360 nan 0.000 0.453 703 A N 0.529 123.390 122.820 0.068 0.000 2.178 703 A HA 0.354 4.666 4.320 -0.014 0.000 0.211 703 A C 1.022 178.628 177.584 0.037 0.000 1.157 703 A CA 0.962 53.054 52.037 0.092 0.000 0.780 703 A CB -0.007 19.125 19.000 0.220 0.000 0.828 703 A HN 0.230 nan 8.150 nan 0.000 0.476 704 G N -0.555 108.236 108.800 -0.016 0.000 3.039 704 G HA2 -0.123 3.828 3.960 -0.014 0.000 0.686 704 G HA3 -0.123 3.828 3.960 -0.014 0.000 0.686 704 G C -0.019 174.853 174.900 -0.047 0.000 1.066 704 G CA 0.015 45.093 45.100 -0.036 0.000 0.774 704 G HN 0.274 nan 8.290 nan 0.000 0.591 705 E N 0.839 120.993 120.200 -0.077 0.000 2.267 705 E HA -0.117 4.224 4.350 -0.014 0.000 0.197 705 E C 2.123 178.688 176.600 -0.058 0.000 0.998 705 E CA 1.780 58.133 56.400 -0.078 0.000 0.830 705 E CB 0.054 29.707 29.700 -0.079 0.000 0.751 705 E HN 0.769 nan 8.360 nan 0.000 0.491 706 E N 0.464 120.627 120.200 -0.063 0.000 2.204 706 E HA -0.099 4.242 4.350 -0.014 0.000 0.194 706 E C 1.118 177.624 176.600 -0.157 0.000 0.989 706 E CA 0.701 57.046 56.400 -0.092 0.000 0.824 706 E CB -0.003 29.659 29.700 -0.063 0.000 0.756 706 E HN 0.157 nan 8.360 nan 0.000 0.477 707 N N -0.416 118.227 118.700 -0.095 0.000 2.322 707 N HA 0.101 4.833 4.740 -0.014 0.000 0.194 707 N C -0.767 174.638 175.510 -0.174 0.000 1.126 707 N CA 0.260 53.233 53.050 -0.127 0.000 0.845 707 N CB 0.319 38.795 38.487 -0.019 0.000 0.976 707 N HN 0.050 nan 8.380 nan 0.000 0.475 708 F N -0.595 119.093 119.950 -0.437 0.000 2.593 708 F HA 0.419 4.936 4.527 -0.015 0.000 0.320 708 F C -0.626 174.804 175.800 -0.618 0.000 1.060 708 F CA -1.071 56.676 58.000 -0.422 0.000 0.940 708 F CB 1.261 40.145 39.000 -0.194 0.000 1.268 708 F HN -0.239 nan 8.300 nan 0.000 0.475 709 F N 3.789 123.805 119.950 0.110 0.000 2.310 709 F HA 0.469 4.987 4.527 -0.014 0.000 0.365 709 F C -0.485 175.452 175.800 0.228 0.000 1.080 709 F CA -0.546 57.528 58.000 0.124 0.000 1.187 709 F CB 0.145 39.172 39.000 0.044 0.000 1.465 709 F HN 0.007 nan 8.300 nan 0.000 0.496 710 I N 3.863 124.609 120.570 0.292 0.000 2.440 710 I HA 0.480 4.641 4.170 -0.014 0.000 0.294 710 I C -0.184 176.073 176.117 0.234 0.000 0.995 710 I CA -0.606 60.806 61.300 0.187 0.000 1.306 710 I CB 0.818 38.840 38.000 0.037 0.000 1.407 710 I HN 0.393 nan 8.210 nan 0.000 0.501 711 F N 2.687 122.691 119.950 0.090 0.000 2.685 711 F HA 0.941 5.459 4.527 -0.015 0.000 0.315 711 F C 0.040 175.870 175.800 0.051 0.000 1.126 711 F CA -0.591 57.456 58.000 0.077 0.000 0.950 711 F CB 0.931 39.995 39.000 0.106 0.000 1.360 711 F HN 0.878 nan 8.300 nan 0.000 0.469 712 G N 0.918 109.747 108.800 0.049 0.000 2.728 712 G HA2 -0.095 3.857 3.960 -0.014 0.000 0.294 712 G HA3 -0.095 3.857 3.960 -0.014 0.000 0.294 712 G C -0.938 173.935 174.900 -0.045 0.000 1.342 712 G CA -0.553 44.536 45.100 -0.018 0.000 0.866 712 G HN 1.051 nan 8.290 nan 0.000 0.534 713 M N 0.065 119.647 119.600 -0.030 0.000 2.249 713 M HA 0.428 4.900 4.480 -0.014 0.000 0.340 713 M C 1.002 177.264 176.300 -0.065 0.000 1.166 713 M CA 0.272 55.560 55.300 -0.019 0.000 1.115 713 M CB 0.441 33.038 32.600 -0.004 0.000 1.606 713 M HN 0.630 nan 8.290 nan 0.000 0.448 714 R N 1.429 121.903 120.500 -0.043 0.000 2.608 714 R HA 0.361 4.693 4.340 -0.014 0.000 0.255 714 R C 0.908 177.183 176.300 -0.041 0.000 1.086 714 R CA -0.539 55.529 56.100 -0.054 0.000 1.125 714 R CB 0.349 30.624 30.300 -0.042 0.000 1.193 714 R HN 0.616 nan 8.270 nan 0.000 0.553 715 V N 1.101 120.989 119.914 -0.042 0.000 2.282 715 V HA -0.276 3.836 4.120 -0.014 0.000 0.249 715 V C 2.235 178.314 176.094 -0.025 0.000 1.057 715 V CA 2.260 64.539 62.300 -0.035 0.000 1.032 715 V CB -0.539 31.261 31.823 -0.039 0.000 0.645 715 V HN 0.778 nan 8.190 nan 0.000 0.447 716 E N 0.252 120.439 120.200 -0.022 0.000 2.086 716 E HA -0.324 4.017 4.350 -0.014 0.000 0.200 716 E C 1.885 178.485 176.600 0.001 0.000 1.012 716 E CA 2.112 58.505 56.400 -0.011 0.000 0.812 716 E CB -0.262 29.432 29.700 -0.009 0.000 0.743 716 E HN 0.675 nan 8.360 nan 0.000 0.453 717 D N -0.041 120.362 120.400 0.005 0.000 2.178 717 D HA -0.113 4.519 4.640 -0.014 0.000 0.202 717 D C 2.110 178.425 176.300 0.025 0.000 0.974 717 D CA 0.838 54.852 54.000 0.023 0.000 0.841 717 D CB 0.114 40.931 40.800 0.028 0.000 0.953 717 D HN 0.159 nan 8.370 nan 0.000 0.478 718 V N 1.792 121.708 119.914 0.003 0.000 2.323 718 V HA -0.173 3.938 4.120 -0.014 0.000 0.244 718 V C 1.900 177.994 176.094 -0.001 0.000 1.041 718 V CA 1.553 63.848 62.300 -0.009 0.000 1.025 718 V CB -0.295 31.512 31.823 -0.028 0.000 0.656 718 V HN 0.013 nan 8.190 nan 0.000 0.451 719 D N -0.286 120.112 120.400 -0.003 0.000 2.219 719 D HA -0.129 4.502 4.640 -0.014 0.000 0.205 719 D C 2.338 178.648 176.300 0.017 0.000 0.970 719 D CA 0.927 54.927 54.000 0.001 0.000 0.851 719 D CB -0.189 40.606 40.800 -0.008 0.000 0.943 719 D HN 0.317 nan 8.370 nan 0.000 0.488 720 R N -0.124 120.391 120.500 0.025 0.000 2.073 720 R HA -0.089 4.242 4.340 -0.014 0.000 0.234 720 R C 2.150 178.485 176.300 0.058 0.000 1.134 720 R CA 0.559 56.682 56.100 0.038 0.000 0.952 720 R CB -0.310 30.015 30.300 0.042 0.000 0.850 720 R HN 0.089 nan 8.270 nan 0.000 0.433 721 L N 1.083 122.351 121.223 0.075 0.000 2.093 721 L HA -0.150 4.182 4.340 -0.014 0.000 0.208 721 L C 1.224 178.161 176.870 0.112 0.000 1.085 721 L CA 1.894 56.807 54.840 0.121 0.000 0.755 721 L CB -0.332 41.817 42.059 0.150 0.000 0.904 721 L HN 0.114 nan 8.230 nan 0.000 0.435 722 D N -1.322 119.119 120.400 0.069 0.000 2.234 722 D HA -0.111 4.520 4.640 -0.014 0.000 0.205 722 D C 2.078 178.407 176.300 0.047 0.000 0.962 722 D CA 0.488 54.520 54.000 0.055 0.000 0.855 722 D CB 0.199 41.009 40.800 0.017 0.000 0.951 722 D HN 0.415 nan 8.370 nan 0.000 0.500 723 Q N 0.658 120.482 119.800 0.041 0.000 2.020 723 Q HA -0.078 4.253 4.340 -0.014 0.000 0.202 723 Q C 2.265 178.290 176.000 0.042 0.000 0.982 723 Q CA 0.951 56.774 55.803 0.034 0.000 0.838 723 Q CB -0.369 28.386 28.738 0.028 0.000 0.899 723 Q HN 0.336 nan 8.270 nan 0.000 0.423 724 R N -0.247 120.285 120.500 0.053 0.000 2.073 724 R HA 0.013 4.345 4.340 -0.014 0.000 0.234 724 R C 0.470 176.807 176.300 0.062 0.000 1.134 724 R CA 1.004 57.138 56.100 0.056 0.000 0.952 724 R CB -0.107 30.235 30.300 0.069 0.000 0.850 724 R HN 0.379 nan 8.270 nan 0.000 0.433 725 G N 0.107 108.958 108.800 0.086 0.000 3.448 725 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.685 725 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.685 725 G C -1.221 173.763 174.900 0.140 0.000 1.151 725 G CA -0.731 44.428 45.100 0.098 0.000 1.023 725 G HN 0.291 nan 8.290 nan 0.000 0.499 726 Y N 3.825 124.161 120.300 0.060 0.000 2.537 726 Y HA 0.498 5.039 4.550 -0.014 0.000 0.339 726 Y C 0.294 176.256 175.900 0.104 0.000 1.066 726 Y CA -0.669 57.488 58.100 0.095 0.000 1.357 726 Y CB 0.790 39.285 38.460 0.058 0.000 1.175 726 Y HN 0.565 nan 8.280 nan 0.000 0.525 727 N N 5.099 123.587 118.700 -0.354 0.000 2.479 727 N HA 0.294 5.025 4.740 -0.014 0.000 0.261 727 N C 0.070 175.319 175.510 -0.435 0.000 0.979 727 N CA 0.315 53.166 53.050 -0.332 0.000 0.930 727 N CB 1.686 40.096 38.487 -0.128 0.000 1.172 727 N HN 0.844 nan 8.380 nan 0.000 0.499 728 A N 3.166 125.684 122.820 -0.504 0.000 2.066 728 A HA -0.151 4.161 4.320 -0.014 0.000 0.218 728 A C 1.844 179.580 177.584 0.252 0.000 1.157 728 A CA 1.159 53.160 52.037 -0.060 0.000 0.670 728 A CB -0.188 18.753 19.000 -0.098 0.000 0.804 728 A HN 0.734 nan 8.150 nan 0.000 0.453 729 Q N 0.321 120.151 119.800 0.050 0.000 2.119 729 Q HA -0.163 4.168 4.340 -0.014 0.000 0.201 729 Q C 1.834 177.891 176.000 0.095 0.000 0.972 729 Q CA 1.981 57.831 55.803 0.078 0.000 0.847 729 Q CB -0.336 28.400 28.738 -0.004 0.000 0.903 729 Q HN 0.718 nan 8.270 nan 0.000 0.433 730 E N -1.110 119.071 120.200 -0.032 0.000 2.114 730 E HA -0.248 4.094 4.350 -0.014 0.000 0.199 730 E C 1.602 178.063 176.600 -0.231 0.000 1.008 730 E CA 1.612 57.907 56.400 -0.175 0.000 0.810 730 E CB -0.160 29.329 29.700 -0.352 0.000 0.739 730 E HN 0.530 nan 8.360 nan 0.000 0.456 731 Y N -1.244 119.097 120.300 0.069 0.000 2.220 731 Y HA -0.212 4.329 4.550 -0.014 0.000 0.291 731 Y C 2.136 178.000 175.900 -0.060 0.000 1.129 731 Y CA 1.424 59.551 58.100 0.045 0.000 1.161 731 Y CB -0.699 37.844 38.460 0.139 0.000 0.997 731 Y HN 0.208 nan 8.280 nan 0.000 0.522 732 Y N 1.358 121.648 120.300 -0.016 0.000 2.097 732 Y HA -0.295 4.246 4.550 -0.014 0.000 0.282 732 Y C 2.003 177.849 175.900 -0.090 0.000 1.152 732 Y CA 1.979 60.001 58.100 -0.131 0.000 1.136 732 Y CB -0.454 37.973 38.460 -0.056 0.000 0.975 732 Y HN 0.067 nan 8.280 nan 0.000 0.498 733 D N -0.259 120.181 120.400 0.067 0.000 2.123 733 D HA -0.158 4.473 4.640 -0.014 0.000 0.196 733 D C 2.048 178.298 176.300 -0.085 0.000 0.992 733 D CA 1.363 55.363 54.000 -0.001 0.000 0.833 733 D CB -0.126 40.701 40.800 0.044 0.000 0.954 733 D HN 0.368 nan 8.370 nan 0.000 0.455 734 R N -0.027 120.425 120.500 -0.080 0.000 2.246 734 R HA 0.206 4.537 4.340 -0.014 0.000 0.199 734 R C 0.654 176.917 176.300 -0.061 0.000 0.984 734 R CA 0.089 56.149 56.100 -0.067 0.000 1.015 734 R CB 0.267 30.532 30.300 -0.058 0.000 0.930 734 R HN 0.246 nan 8.270 nan 0.000 0.475 735 I N 2.258 122.773 120.570 -0.092 0.000 2.405 735 I HA 0.213 4.374 4.170 -0.014 0.000 0.280 735 I C -1.815 174.206 176.117 -0.160 0.000 1.027 735 I CA -2.250 59.011 61.300 -0.067 0.000 1.161 735 I CB 2.176 40.181 38.000 0.008 0.000 1.300 735 I HN -0.272 nan 8.210 nan 0.000 0.463 736 P HA -0.195 nan 4.420 nan 0.000 0.215 736 P C 1.256 178.467 177.300 -0.149 0.000 1.157 736 P CA 1.456 64.465 63.100 -0.152 0.000 0.874 736 P CB 0.281 31.924 31.700 -0.096 0.000 0.790 737 E N -0.771 119.383 120.200 -0.078 0.000 2.085 737 E HA -0.196 4.146 4.350 -0.014 0.000 0.194 737 E C 2.034 178.558 176.600 -0.128 0.000 0.994 737 E CA 0.925 57.300 56.400 -0.043 0.000 0.801 737 E CB -0.711 29.036 29.700 0.077 0.000 0.743 737 E HN 0.217 nan 8.360 nan 0.000 0.453 738 L N 0.947 122.013 121.223 -0.261 0.000 2.056 738 L HA -0.187 4.144 4.340 -0.014 0.000 0.207 738 L C 2.734 179.344 176.870 -0.434 0.000 1.078 738 L CA 1.250 55.762 54.840 -0.547 0.000 0.749 738 L CB -0.120 41.475 42.059 -0.773 0.000 0.901 738 L HN -0.005 nan 8.230 nan 0.000 0.433 739 R N -0.645 119.572 120.500 -0.472 0.000 2.083 739 R HA -0.252 4.079 4.340 -0.014 0.000 0.237 739 R C 2.376 178.521 176.300 -0.259 0.000 1.137 739 R CA 2.105 57.843 56.100 -0.604 0.000 0.951 739 R CB -0.370 29.501 30.300 -0.714 0.000 0.851 739 R HN 0.522 nan 8.270 nan 0.000 0.434 740 Q N 0.498 120.181 119.800 -0.194 0.000 2.061 740 Q HA -0.194 4.138 4.340 -0.014 0.000 0.204 740 Q C 2.128 178.087 176.000 -0.067 0.000 0.984 740 Q CA 1.975 57.708 55.803 -0.116 0.000 0.846 740 Q CB -0.124 28.544 28.738 -0.117 0.000 0.902 740 Q HN 0.470 nan 8.270 nan 0.000 0.421 741 I N 0.249 120.785 120.570 -0.057 0.000 2.208 741 I HA -0.308 3.853 4.170 -0.014 0.000 0.245 741 I C 2.230 178.394 176.117 0.079 0.000 1.097 741 I CA 1.049 62.364 61.300 0.024 0.000 1.363 741 I CB -0.215 37.776 38.000 -0.016 0.000 1.051 741 I HN 0.257 nan 8.210 nan 0.000 0.413 742 I N 0.270 120.880 120.570 0.067 0.000 2.353 742 I HA -0.218 3.943 4.170 -0.014 0.000 0.248 742 I C 2.386 178.608 176.117 0.174 0.000 1.119 742 I CA 1.147 62.544 61.300 0.160 0.000 1.417 742 I CB -0.118 38.044 38.000 0.270 0.000 1.078 742 I HN 0.091 nan 8.210 nan 0.000 0.421 743 E N 0.313 120.601 120.200 0.147 0.000 2.274 743 E HA -0.174 4.167 4.350 -0.014 0.000 0.194 743 E C 2.082 178.753 176.600 0.118 0.000 0.996 743 E CA 0.856 57.335 56.400 0.132 0.000 0.840 743 E CB -0.027 29.739 29.700 0.110 0.000 0.772 743 E HN 0.434 nan 8.360 nan 0.000 0.491 744 Q N -0.362 119.498 119.800 0.099 0.000 2.050 744 Q HA -0.103 4.228 4.340 -0.014 0.000 0.202 744 Q C 2.134 178.319 176.000 0.308 0.000 0.980 744 Q CA 1.149 57.030 55.803 0.131 0.000 0.840 744 Q CB -0.081 28.674 28.738 0.028 0.000 0.898 744 Q HN 0.297 nan 8.270 nan 0.000 0.424 745 L N -0.097 121.321 121.223 0.326 0.000 1.970 745 L HA -0.218 4.113 4.340 -0.014 0.000 0.212 745 L C 2.388 179.441 176.870 0.304 0.000 1.071 745 L CA 1.224 56.267 54.840 0.340 0.000 0.751 745 L CB -0.576 41.611 42.059 0.213 0.000 0.889 745 L HN 0.172 nan 8.230 nan 0.000 0.432 746 S N -0.297 115.538 115.700 0.225 0.000 2.440 746 S HA -0.131 4.330 4.470 -0.014 0.000 0.238 746 S C 1.892 176.589 174.600 0.161 0.000 1.010 746 S CA 1.485 59.794 58.200 0.181 0.000 0.972 746 S CB -0.166 63.120 63.200 0.145 0.000 0.774 746 S HN 0.618 nan 8.310 nan 0.000 0.501 747 S N -0.523 115.279 115.700 0.170 0.000 2.524 747 S HA 0.477 4.938 4.470 -0.014 0.000 0.215 747 S C 1.255 175.943 174.600 0.146 0.000 0.986 747 S CA 0.383 58.666 58.200 0.139 0.000 0.911 747 S CB 0.558 63.830 63.200 0.120 0.000 0.805 747 S HN 0.682 nan 8.310 nan 0.000 0.501 748 G N 1.152 110.069 108.800 0.194 0.000 2.131 748 G HA2 -0.281 3.670 3.960 -0.014 0.000 0.201 748 G HA3 -0.281 3.670 3.960 -0.014 0.000 0.201 748 G C 0.170 175.130 174.900 0.100 0.000 1.000 748 G CA 0.093 45.287 45.100 0.158 0.000 0.680 748 G HN 0.478 nan 8.290 nan 0.000 0.514 749 F N 0.499 120.452 119.950 0.004 0.000 2.134 749 F HA 0.216 4.735 4.527 -0.014 0.000 0.299 749 F C 1.936 177.599 175.800 -0.227 0.000 1.097 749 F CA 1.926 59.821 58.000 -0.175 0.000 1.264 749 F CB -0.104 38.702 39.000 -0.323 0.000 1.001 749 F HN 0.135 nan 8.300 nan 0.000 0.479 750 F N -0.034 119.955 119.950 0.065 0.000 2.765 750 F HA 0.183 4.702 4.527 -0.014 0.000 0.302 750 F C 0.912 176.781 175.800 0.114 0.000 1.111 750 F CA 0.377 58.389 58.000 0.021 0.000 1.359 750 F CB -0.367 38.690 39.000 0.095 0.000 1.097 750 F HN 0.013 nan 8.300 nan 0.000 0.577 751 S N -1.768 114.077 115.700 0.241 0.000 2.317 751 S HA 0.358 4.820 4.470 -0.014 0.000 0.144 751 S C -2.484 172.139 174.600 0.038 0.000 1.660 751 S CA -1.037 57.246 58.200 0.139 0.000 1.273 751 S CB 1.038 64.281 63.200 0.072 0.000 1.330 751 S HN -0.148 nan 8.310 nan 0.000 0.395 752 P HA -0.018 nan 4.420 nan 0.000 0.216 752 P C 1.154 178.449 177.300 -0.008 0.000 1.153 752 P CA 1.052 64.138 63.100 -0.023 0.000 0.844 752 P CB 0.099 31.762 31.700 -0.061 0.000 0.787 753 K N -0.767 119.629 120.400 -0.007 0.000 2.217 753 K HA -0.055 4.256 4.320 -0.014 0.000 0.202 753 K C 0.703 177.303 176.600 -0.001 0.000 1.051 753 K CA 0.972 57.258 56.287 -0.003 0.000 0.952 753 K CB -0.184 32.316 32.500 0.001 0.000 0.736 753 K HN 0.246 nan 8.250 nan 0.000 0.453 754 Q N -0.165 119.631 119.800 -0.005 0.000 2.965 754 Q HA 0.145 4.477 4.340 -0.014 0.000 0.288 754 Q C -2.292 173.697 176.000 -0.018 0.000 0.974 754 Q CA -1.523 54.270 55.803 -0.016 0.000 0.849 754 Q CB 1.611 30.330 28.738 -0.032 0.000 1.280 754 Q HN -0.045 nan 8.270 nan 0.000 0.441 755 P HA -0.187 nan 4.420 nan 0.000 0.220 755 P C 0.742 178.069 177.300 0.045 0.000 1.148 755 P CA 1.158 64.281 63.100 0.039 0.000 0.803 755 P CB 0.287 32.012 31.700 0.042 0.000 0.782 756 D N -0.566 119.847 120.400 0.021 0.000 2.349 756 D HA -0.066 4.565 4.640 -0.014 0.000 0.215 756 D C 1.801 178.095 176.300 -0.010 0.000 1.016 756 D CA 0.110 54.128 54.000 0.030 0.000 0.870 756 D CB -0.745 40.072 40.800 0.028 0.000 0.917 756 D HN 0.012 nan 8.370 nan 0.000 0.524 757 L N 0.314 121.472 121.223 -0.109 0.000 2.054 757 L HA -0.229 4.103 4.340 -0.014 0.000 0.220 757 L C 1.405 178.059 176.870 -0.359 0.000 1.081 757 L CA 1.753 56.425 54.840 -0.280 0.000 0.780 757 L CB -0.829 40.921 42.059 -0.514 0.000 0.893 757 L HN -0.066 nan 8.230 nan 0.000 0.438 758 F N -0.094 119.913 119.950 0.095 0.000 2.732 758 F HA 0.119 4.638 4.527 -0.014 0.000 0.303 758 F C 1.985 177.837 175.800 0.087 0.000 1.110 758 F CA 0.355 58.403 58.000 0.079 0.000 1.355 758 F CB -0.852 38.190 39.000 0.069 0.000 1.081 758 F HN 0.236 nan 8.300 nan 0.000 0.565 759 K N -0.354 120.167 120.400 0.202 0.000 2.160 759 K HA -0.219 4.093 4.320 -0.014 0.000 0.206 759 K C 0.958 177.658 176.600 0.167 0.000 1.047 759 K CA 2.099 58.484 56.287 0.164 0.000 0.930 759 K CB -0.339 32.232 32.500 0.118 0.000 0.720 759 K HN 0.065 nan 8.250 nan 0.000 0.450 760 D N 0.874 121.384 120.400 0.182 0.000 2.178 760 D HA -0.062 4.569 4.640 -0.014 0.000 0.202 760 D C 1.825 178.225 176.300 0.166 0.000 0.974 760 D CA 0.872 54.985 54.000 0.190 0.000 0.841 760 D CB -0.068 40.865 40.800 0.221 0.000 0.953 760 D HN 0.247 nan 8.370 nan 0.000 0.478 761 I N 0.047 120.715 120.570 0.162 0.000 2.286 761 I HA -0.173 3.989 4.170 -0.014 0.000 0.245 761 I C 2.461 178.631 176.117 0.088 0.000 1.104 761 I CA 0.555 61.920 61.300 0.108 0.000 1.397 761 I CB -0.565 37.487 38.000 0.086 0.000 1.072 761 I HN -0.132 nan 8.210 nan 0.000 0.417 762 V N 0.830 120.816 119.914 0.121 0.000 2.255 762 V HA -0.348 3.763 4.120 -0.014 0.000 0.247 762 V C 2.280 178.406 176.094 0.052 0.000 1.051 762 V CA 2.499 64.862 62.300 0.106 0.000 1.018 762 V CB -1.016 30.887 31.823 0.134 0.000 0.641 762 V HN 0.571 nan 8.190 nan 0.000 0.445 763 N N -0.635 118.114 118.700 0.082 0.000 2.120 763 N HA -0.238 4.494 4.740 -0.014 0.000 0.188 763 N C 2.037 177.478 175.510 -0.115 0.000 1.024 763 N CA 1.579 54.679 53.050 0.084 0.000 0.852 763 N CB -0.128 38.448 38.487 0.149 0.000 1.003 763 N HN 0.392 nan 8.380 nan 0.000 0.424 764 M N 0.677 120.246 119.600 -0.051 0.000 2.059 764 M HA -0.146 4.326 4.480 -0.014 0.000 0.259 764 M C 1.849 178.048 176.300 -0.169 0.000 1.072 764 M CA 1.360 56.619 55.300 -0.069 0.000 1.117 764 M CB -0.703 31.981 32.600 0.140 0.000 1.320 764 M HN 0.220 nan 8.290 nan 0.000 0.408 765 L N 0.926 122.056 121.223 -0.155 0.000 2.081 765 L HA -0.241 4.091 4.340 -0.014 0.000 0.212 765 L C 2.481 179.086 176.870 -0.442 0.000 1.080 765 L CA 1.736 56.378 54.840 -0.330 0.000 0.754 765 L CB -0.932 40.978 42.059 -0.249 0.000 0.893 765 L HN 0.381 nan 8.230 nan 0.000 0.433 766 M N -2.165 117.229 119.600 -0.343 0.000 2.334 766 M HA -0.047 4.424 4.480 -0.014 0.000 0.266 766 M C 1.609 177.402 176.300 -0.845 0.000 1.082 766 M CA 1.406 56.402 55.300 -0.506 0.000 1.141 766 M CB -0.675 31.586 32.600 -0.565 0.000 1.380 766 M HN 0.334 nan 8.290 nan 0.000 0.440 767 H N -2.310 116.597 119.070 -0.272 0.000 3.457 767 H HA 0.236 4.784 4.556 -0.014 0.000 0.255 767 H C 0.097 175.303 175.328 -0.204 0.000 1.082 767 H CA 0.466 56.352 56.048 -0.270 0.000 1.189 767 H CB 0.387 29.945 29.762 -0.340 0.000 1.511 767 H HN 0.552 nan 8.280 nan 0.000 0.527 768 H N -1.011 118.102 119.070 0.071 0.000 3.038 768 H HA 0.140 4.687 4.556 -0.014 0.000 0.238 768 H C -0.661 174.683 175.328 0.027 0.000 1.246 768 H CA -0.444 55.644 56.048 0.067 0.000 0.966 768 H CB 0.507 30.317 29.762 0.081 0.000 2.394 768 H HN -0.089 nan 8.280 nan 0.000 0.633 769 D N 1.666 122.099 120.400 0.054 0.000 2.342 769 D HA 0.061 4.692 4.640 -0.014 0.000 0.260 769 D C 1.123 177.364 176.300 -0.098 0.000 1.278 769 D CA 0.065 54.062 54.000 -0.004 0.000 0.910 769 D CB 0.686 41.440 40.800 -0.077 0.000 1.079 769 D HN 0.351 nan 8.370 nan 0.000 0.496 770 R N 2.369 122.738 120.500 -0.219 0.000 2.189 770 R HA -0.023 4.308 4.340 -0.014 0.000 0.218 770 R C 0.733 176.521 176.300 -0.854 0.000 1.074 770 R CA 0.867 56.603 56.100 -0.607 0.000 0.991 770 R CB 0.161 29.906 30.300 -0.924 0.000 0.883 770 R HN 0.397 nan 8.270 nan 0.000 0.457 771 F N 1.400 121.292 119.950 -0.096 0.000 2.654 771 F HA 0.168 4.686 4.527 -0.014 0.000 0.303 771 F C -0.050 175.619 175.800 -0.219 0.000 1.099 771 F CA -0.665 57.267 58.000 -0.113 0.000 1.270 771 F CB 0.192 39.181 39.000 -0.020 0.000 1.024 771 F HN -0.142 nan 8.300 nan 0.000 0.548 772 K N -0.525 119.685 120.400 -0.318 0.000 4.462 772 K HA -0.210 4.101 4.320 -0.014 0.000 0.278 772 K C 0.389 176.823 176.600 -0.277 0.000 0.789 772 K CA 0.293 56.194 56.287 -0.644 0.000 0.765 772 K CB -1.793 29.978 32.500 -1.214 0.000 1.839 772 K HN 0.258 nan 8.250 nan 0.000 0.418 773 V N 1.306 121.131 119.914 -0.149 0.000 2.343 773 V HA -0.229 3.882 4.120 -0.014 0.000 0.247 773 V C 2.020 178.210 176.094 0.160 0.000 1.051 773 V CA 1.866 64.166 62.300 -0.001 0.000 1.036 773 V CB -0.629 31.181 31.823 -0.022 0.000 0.654 773 V HN 0.602 nan 8.190 nan 0.000 0.451 774 F N 0.679 120.624 119.950 -0.009 0.000 2.325 774 F HA 0.050 4.568 4.527 -0.014 0.000 0.299 774 F C 2.406 177.986 175.800 -0.368 0.000 1.090 774 F CA 0.537 58.479 58.000 -0.097 0.000 1.392 774 F CB -1.467 37.491 39.000 -0.070 0.000 1.053 774 F HN 0.154 nan 8.300 nan 0.000 0.521 775 A N -0.603 122.052 122.820 -0.276 0.000 2.067 775 A HA -0.136 4.176 4.320 -0.014 0.000 0.219 775 A C 1.565 179.160 177.584 0.018 0.000 1.158 775 A CA 1.756 53.593 52.037 -0.334 0.000 0.661 775 A CB -0.476 18.453 19.000 -0.119 0.000 0.801 775 A HN 0.182 nan 8.150 nan 0.000 0.452 776 D N -2.784 117.683 120.400 0.112 0.000 2.398 776 D HA 0.107 4.738 4.640 -0.014 0.000 0.210 776 D C 1.040 177.500 176.300 0.266 0.000 1.094 776 D CA -0.075 54.066 54.000 0.236 0.000 0.839 776 D CB -0.047 40.930 40.800 0.295 0.000 0.963 776 D HN 0.558 nan 8.370 nan 0.000 0.506 777 Y N 1.968 122.352 120.300 0.141 0.000 2.163 777 Y HA -0.135 4.407 4.550 -0.014 0.000 0.288 777 Y C 2.039 178.013 175.900 0.124 0.000 1.136 777 Y CA 1.720 59.912 58.100 0.153 0.000 1.147 777 Y CB 0.216 38.754 38.460 0.129 0.000 0.987 777 Y HN -0.120 nan 8.280 nan 0.000 0.509 778 E N 0.008 120.252 120.200 0.073 0.000 2.038 778 E HA -0.268 4.074 4.350 -0.014 0.000 0.195 778 E C 2.155 178.717 176.600 -0.063 0.000 1.000 778 E CA 1.568 57.955 56.400 -0.022 0.000 0.803 778 E CB -0.200 29.579 29.700 0.132 0.000 0.750 778 E HN 0.602 nan 8.360 nan 0.000 0.448 779 E N -0.395 119.837 120.200 0.054 0.000 2.208 779 E HA -0.167 4.174 4.350 -0.014 0.000 0.193 779 E C 1.811 178.390 176.600 -0.035 0.000 0.988 779 E CA 0.347 56.799 56.400 0.087 0.000 0.828 779 E CB 0.041 29.878 29.700 0.230 0.000 0.763 779 E HN 0.223 nan 8.360 nan 0.000 0.478 780 Y N 0.738 120.805 120.300 -0.388 0.000 2.184 780 Y HA -0.188 4.353 4.550 -0.014 0.000 0.290 780 Y C 2.158 177.668 175.900 -0.650 0.000 1.129 780 Y CA 1.548 59.112 58.100 -0.893 0.000 1.144 780 Y CB -0.530 37.398 38.460 -0.887 0.000 0.995 780 Y HN -0.008 nan 8.280 nan 0.000 0.513 781 V N -1.162 118.361 119.914 -0.651 0.000 2.515 781 V HA -0.141 3.970 4.120 -0.014 0.000 0.250 781 V C 2.130 177.995 176.094 -0.382 0.000 1.058 781 V CA 2.001 63.953 62.300 -0.580 0.000 1.064 781 V CB -0.670 30.873 31.823 -0.467 0.000 0.675 781 V HN 0.121 nan 8.190 nan 0.000 0.461 782 K N 0.235 120.476 120.400 -0.266 0.000 2.026 782 K HA -0.088 4.223 4.320 -0.014 0.000 0.208 782 K C 2.291 178.801 176.600 -0.151 0.000 1.048 782 K CA 1.945 58.141 56.287 -0.152 0.000 0.929 782 K CB -1.463 30.998 32.500 -0.066 0.000 0.713 782 K HN 0.634 nan 8.250 nan 0.000 0.439 783 C N 1.033 120.228 119.300 -0.176 0.000 2.413 783 C HA -0.116 4.336 4.460 -0.014 0.000 0.277 783 C C 2.436 177.267 174.990 -0.265 0.000 1.265 783 C CA 0.805 59.752 59.018 -0.117 0.000 1.752 783 C CB -0.695 27.020 27.740 -0.042 0.000 1.998 783 C HN 0.449 nan 8.230 nan 0.000 0.489 784 Q N 0.277 119.786 119.800 -0.484 0.000 2.226 784 Q HA -0.158 4.174 4.340 -0.014 0.000 0.204 784 Q C 1.964 177.784 176.000 -0.299 0.000 0.975 784 Q CA 1.485 56.970 55.803 -0.529 0.000 0.866 784 Q CB -0.346 27.837 28.738 -0.925 0.000 0.915 784 Q HN 0.760 nan 8.270 nan 0.000 0.440 785 E N 0.242 120.315 120.200 -0.212 0.000 2.106 785 E HA -0.120 4.221 4.350 -0.014 0.000 0.192 785 E C 2.058 178.613 176.600 -0.074 0.000 0.984 785 E CA 0.504 56.834 56.400 -0.115 0.000 0.806 785 E CB 0.024 29.674 29.700 -0.084 0.000 0.750 785 E HN 0.232 nan 8.360 nan 0.000 0.458 786 R N 0.428 120.890 120.500 -0.065 0.000 2.120 786 R HA -0.111 4.220 4.340 -0.014 0.000 0.234 786 R C 2.643 178.924 176.300 -0.032 0.000 1.123 786 R CA 1.331 57.445 56.100 0.023 0.000 0.975 786 R CB -0.344 30.035 30.300 0.131 0.000 0.866 786 R HN 0.197 nan 8.270 nan 0.000 0.446 787 V N -1.669 118.072 119.914 -0.290 0.000 2.488 787 V HA -0.082 4.030 4.120 -0.014 0.000 0.246 787 V C 1.829 177.916 176.094 -0.011 0.000 1.046 787 V CA 1.744 63.810 62.300 -0.389 0.000 1.053 787 V CB 0.091 31.474 31.823 -0.734 0.000 0.679 787 V HN 0.090 nan 8.190 nan 0.000 0.458 788 S N 1.063 116.724 115.700 -0.065 0.000 2.382 788 S HA -0.049 4.412 4.470 -0.014 0.000 0.228 788 S C 2.285 176.921 174.600 0.060 0.000 1.027 788 S CA 1.665 59.853 58.200 -0.020 0.000 0.991 788 S CB -0.679 62.482 63.200 -0.066 0.000 0.823 788 S HN 0.974 nan 8.310 nan 0.000 0.469 789 A N 1.212 124.073 122.820 0.068 0.000 1.908 789 A HA -0.046 4.265 4.320 -0.014 0.000 0.218 789 A C 2.083 179.757 177.584 0.149 0.000 1.181 789 A CA 1.210 53.306 52.037 0.099 0.000 0.627 789 A CB -0.651 18.406 19.000 0.095 0.000 0.818 789 A HN 0.477 nan 8.150 nan 0.000 0.445 790 L N -2.221 119.154 121.223 0.252 0.000 2.240 790 L HA -0.066 4.265 4.340 -0.014 0.000 0.211 790 L C 2.402 179.470 176.870 0.330 0.000 1.106 790 L CA 1.167 56.246 54.840 0.398 0.000 0.793 790 L CB -0.328 42.112 42.059 0.636 0.000 0.927 790 L HN 0.602 nan 8.230 nan 0.000 0.446 791 Y N 1.082 121.316 120.300 -0.110 0.000 2.274 791 Y HA -0.263 4.279 4.550 -0.013 0.000 0.290 791 Y C 2.417 178.125 175.900 -0.320 0.000 1.145 791 Y CA 1.577 59.241 58.100 -0.726 0.000 1.203 791 Y CB -0.075 37.924 38.460 -0.769 0.000 0.984 791 Y HN 0.008 nan 8.280 nan 0.000 0.533 792 K N 0.084 120.407 120.400 -0.129 0.000 2.442 792 K HA -0.167 4.144 4.320 -0.014 0.000 0.199 792 K C 0.297 176.846 176.600 -0.085 0.000 1.044 792 K CA 0.909 57.148 56.287 -0.080 0.000 0.941 792 K CB -0.187 32.337 32.500 0.039 0.000 0.759 792 K HN 0.093 nan 8.250 nan 0.000 0.472 793 N N 0.145 118.817 118.700 -0.048 0.000 2.898 793 N HA 0.142 4.873 4.740 -0.014 0.000 0.245 793 N C -2.470 173.033 175.510 -0.010 0.000 1.185 793 N CA -2.292 50.754 53.050 -0.006 0.000 0.879 793 N CB 1.203 39.727 38.487 0.062 0.000 1.157 793 N HN -0.200 nan 8.380 nan 0.000 0.503 794 P HA -0.202 nan 4.420 nan 0.000 0.218 794 P C 1.327 178.640 177.300 0.021 0.000 1.154 794 P CA 1.287 64.314 63.100 -0.122 0.000 0.872 794 P CB 0.378 31.978 31.700 -0.167 0.000 0.790 795 R N -0.501 120.013 120.500 0.025 0.000 2.075 795 R HA -0.138 4.193 4.340 -0.014 0.000 0.232 795 R C 1.951 178.299 176.300 0.080 0.000 1.126 795 R CA 1.391 57.518 56.100 0.044 0.000 0.963 795 R CB -0.259 30.058 30.300 0.029 0.000 0.858 795 R HN 0.039 nan 8.270 nan 0.000 0.435 796 E N -0.919 119.341 120.200 0.099 0.000 2.230 796 E HA -0.115 4.226 4.350 -0.014 0.000 0.192 796 E C 1.175 177.878 176.600 0.172 0.000 0.987 796 E CA 0.556 57.023 56.400 0.113 0.000 0.841 796 E CB -0.188 29.572 29.700 0.100 0.000 0.783 796 E HN 0.326 nan 8.360 nan 0.000 0.481 797 W N 0.874 122.183 121.300 0.015 0.000 2.338 797 W HA -0.156 4.495 4.660 -0.016 0.000 0.304 797 W C 2.018 178.554 176.519 0.028 0.000 1.212 797 W CA 2.106 59.475 57.345 0.041 0.000 1.264 797 W CB -0.430 29.041 29.460 0.018 0.000 1.142 797 W HN 0.004 nan 8.180 nan 0.000 0.512 798 T N -0.475 114.212 114.554 0.223 0.000 3.023 798 T HA -0.061 4.280 4.350 -0.014 0.000 0.266 798 T C 1.660 176.395 174.700 0.058 0.000 1.093 798 T CA 0.938 63.108 62.100 0.117 0.000 1.129 798 T CB -0.106 68.808 68.868 0.077 0.000 0.899 798 T HN 0.141 nan 8.240 nan 0.000 0.491 799 R N 0.338 120.873 120.500 0.058 0.000 2.127 799 R HA 0.276 4.607 4.340 -0.014 0.000 0.217 799 R C 2.393 178.697 176.300 0.006 0.000 1.074 799 R CA 0.565 56.693 56.100 0.045 0.000 0.991 799 R CB -0.243 30.087 30.300 0.049 0.000 0.895 799 R HN 0.318 nan 8.270 nan 0.000 0.450 800 M N 0.592 120.166 119.600 -0.043 0.000 2.132 800 M HA -0.151 4.321 4.480 -0.014 0.000 0.263 800 M C 1.965 178.192 176.300 -0.122 0.000 1.065 800 M CA 1.417 56.648 55.300 -0.115 0.000 1.122 800 M CB 0.105 32.573 32.600 -0.220 0.000 1.365 800 M HN -0.022 nan 8.290 nan 0.000 0.411 801 V N 0.920 120.759 119.914 -0.125 0.000 2.282 801 V HA -0.338 3.774 4.120 -0.014 0.000 0.249 801 V C 2.206 178.286 176.094 -0.023 0.000 1.057 801 V CA 2.106 64.353 62.300 -0.089 0.000 1.032 801 V CB -0.602 31.206 31.823 -0.025 0.000 0.645 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.859 119.720 120.570 0.014 0.000 2.286 802 I HA -0.231 3.930 4.170 -0.014 0.000 0.248 802 I C 2.677 178.836 176.117 0.069 0.000 1.115 802 I CA 1.273 62.618 61.300 0.075 0.000 1.392 802 I CB -0.333 37.753 38.000 0.143 0.000 1.065 802 I HN 0.195 nan 8.210 nan 0.000 0.418 803 R N 1.085 121.605 120.500 0.034 0.000 2.115 803 R HA -0.070 4.261 4.340 -0.014 0.000 0.230 803 R C 1.981 178.308 176.300 0.045 0.000 1.111 803 R CA 1.218 57.337 56.100 0.033 0.000 0.976 803 R CB -0.412 29.892 30.300 0.006 0.000 0.870 803 R HN 0.424 nan 8.270 nan 0.000 0.445 804 N N -0.296 118.418 118.700 0.025 0.000 2.109 804 N HA -0.080 4.651 4.740 -0.014 0.000 0.188 804 N C 1.787 177.343 175.510 0.077 0.000 1.034 804 N CA 1.470 54.551 53.050 0.052 0.000 0.846 804 N CB -0.043 38.426 38.487 -0.030 0.000 1.010 804 N HN 0.142 nan 8.380 nan 0.000 0.425 805 I N 1.663 122.268 120.570 0.059 0.000 2.163 805 I HA -0.252 3.909 4.170 -0.014 0.000 0.243 805 I C 2.396 178.558 176.117 0.075 0.000 1.085 805 I CA 1.103 62.444 61.300 0.069 0.000 1.347 805 I CB -0.308 37.726 38.000 0.056 0.000 1.044 805 I HN 0.093 nan 8.210 nan 0.000 0.408 806 A N -0.997 121.868 122.820 0.075 0.000 2.121 806 A HA -0.135 4.177 4.320 -0.014 0.000 0.218 806 A C 2.188 179.809 177.584 0.061 0.000 1.154 806 A CA 1.830 53.904 52.037 0.062 0.000 0.679 806 A CB -0.580 18.463 19.000 0.071 0.000 0.795 806 A HN 0.377 nan 8.150 nan 0.000 0.458 807 T N -0.594 114.010 114.554 0.082 0.000 3.092 807 T HA 0.085 4.427 4.350 -0.014 0.000 0.258 807 T C 1.635 176.422 174.700 0.145 0.000 1.031 807 T CA 0.737 62.893 62.100 0.093 0.000 0.925 807 T CB -0.228 68.697 68.868 0.095 0.000 1.036 807 T HN 0.660 nan 8.240 nan 0.000 0.544 808 S N -0.360 115.439 115.700 0.165 0.000 2.562 808 S HA 0.136 4.597 4.470 -0.014 0.000 0.221 808 S C 2.260 176.962 174.600 0.170 0.000 0.975 808 S CA 0.433 58.790 58.200 0.262 0.000 0.918 808 S CB -0.259 63.079 63.200 0.230 0.000 0.772 808 S HN 0.414 nan 8.310 nan 0.000 0.531 809 G N 2.257 111.096 108.800 0.065 0.000 2.479 809 G HA2 -0.205 3.746 3.960 -0.014 0.000 0.220 809 G HA3 -0.205 3.746 3.960 -0.014 0.000 0.220 809 G C 1.342 176.188 174.900 -0.089 0.000 1.115 809 G CA 0.759 45.870 45.100 0.018 0.000 0.757 809 G HN 0.557 nan 8.290 nan 0.000 0.560 810 K N -0.143 120.099 120.400 -0.262 0.000 2.097 810 K HA -0.058 4.253 4.320 -0.014 0.000 0.206 810 K C 0.964 177.226 176.600 -0.565 0.000 1.049 810 K CA 0.656 56.644 56.287 -0.498 0.000 0.933 810 K CB -0.237 31.761 32.500 -0.837 0.000 0.717 810 K HN 0.332 nan 8.250 nan 0.000 0.442 811 F N 1.301 121.279 119.950 0.047 0.000 2.697 811 F HA 0.126 4.644 4.527 -0.015 0.000 0.297 811 F C 0.760 176.602 175.800 0.070 0.000 1.203 811 F CA -0.151 57.882 58.000 0.056 0.000 1.421 811 F CB -0.217 38.814 39.000 0.052 0.000 1.033 811 F HN -0.159 nan 8.300 nan 0.000 0.512 812 S N -0.130 115.624 115.700 0.090 0.000 2.537 812 S HA 0.180 4.641 4.470 -0.014 0.000 0.275 812 S C 1.372 176.042 174.600 0.116 0.000 1.272 812 S CA -0.287 57.977 58.200 0.107 0.000 1.050 812 S CB 0.815 64.051 63.200 0.061 0.000 0.961 812 S HN 0.342 nan 8.310 nan 0.000 0.496 813 S N 3.237 119.032 115.700 0.159 0.000 2.537 813 S HA -0.076 4.385 4.470 -0.014 0.000 0.240 813 S C 0.830 175.473 174.600 0.071 0.000 0.981 813 S CA 0.697 59.004 58.200 0.178 0.000 0.948 813 S CB -0.310 63.059 63.200 0.281 0.000 0.759 813 S HN 0.778 nan 8.310 nan 0.000 0.531 814 D N 1.701 122.130 120.400 0.048 0.000 2.149 814 D HA -0.032 4.600 4.640 -0.014 0.000 0.201 814 D C 2.104 178.405 176.300 0.001 0.000 0.972 814 D CA 0.590 54.599 54.000 0.015 0.000 0.835 814 D CB -0.292 40.515 40.800 0.011 0.000 0.966 814 D HN 0.274 nan 8.370 nan 0.000 0.476 815 R N 0.990 121.490 120.500 0.001 0.000 2.075 815 R HA -0.076 4.255 4.340 -0.014 0.000 0.232 815 R C 1.771 178.057 176.300 -0.023 0.000 1.126 815 R CA 1.310 57.397 56.100 -0.022 0.000 0.963 815 R CB -0.712 29.560 30.300 -0.047 0.000 0.858 815 R HN 0.123 nan 8.270 nan 0.000 0.435 816 T N 2.269 116.829 114.554 0.010 0.000 2.622 816 T HA -0.116 4.226 4.350 -0.014 0.000 0.266 816 T C 1.988 176.696 174.700 0.014 0.000 1.047 816 T CA 1.337 63.459 62.100 0.037 0.000 1.159 816 T CB -0.172 68.783 68.868 0.146 0.000 0.863 816 T HN 0.084 nan 8.240 nan 0.000 0.422 817 I N 1.893 122.401 120.570 -0.103 0.000 2.286 817 I HA -0.122 4.039 4.170 -0.014 0.000 0.248 817 I C 2.920 179.015 176.117 -0.037 0.000 1.115 817 I CA 1.113 62.329 61.300 -0.139 0.000 1.392 817 I CB -1.597 36.314 38.000 -0.148 0.000 1.065 817 I HN 0.223 nan 8.210 nan 0.000 0.418 818 A N -0.134 122.670 122.820 -0.027 0.000 2.015 818 A HA -0.204 4.108 4.320 -0.014 0.000 0.219 818 A C 2.228 179.774 177.584 -0.062 0.000 1.163 818 A CA 1.217 53.242 52.037 -0.020 0.000 0.646 818 A CB -0.434 18.557 19.000 -0.015 0.000 0.806 818 A HN 0.520 nan 8.150 nan 0.000 0.448 819 Q N -2.062 117.677 119.800 -0.102 0.000 2.163 819 Q HA -0.079 4.252 4.340 -0.014 0.000 0.198 819 Q C 1.751 177.576 176.000 -0.292 0.000 0.954 819 Q CA 1.086 56.786 55.803 -0.172 0.000 0.851 819 Q CB -0.211 28.410 28.738 -0.194 0.000 0.928 819 Q HN 0.807 nan 8.270 nan 0.000 0.459 820 Y N 0.810 120.840 120.300 -0.450 0.000 2.128 820 Y HA -0.308 4.233 4.550 -0.015 0.000 0.284 820 Y C 2.476 177.850 175.900 -0.877 0.000 1.154 820 Y CA 1.422 59.010 58.100 -0.853 0.000 1.149 820 Y CB -0.445 37.193 38.460 -1.369 0.000 0.976 820 Y HN 0.158 nan 8.280 nan 0.000 0.505 821 A N 0.228 122.873 122.820 -0.293 0.000 1.865 821 A HA -0.238 4.074 4.320 -0.014 0.000 0.217 821 A C 2.244 179.853 177.584 0.042 0.000 1.191 821 A CA 2.128 54.217 52.037 0.087 0.000 0.623 821 A CB -0.610 18.503 19.000 0.188 0.000 0.826 821 A HN 0.436 nan 8.150 nan 0.000 0.444 822 R N -0.756 119.727 120.500 -0.029 0.000 2.093 822 R HA -0.030 4.301 4.340 -0.014 0.000 0.224 822 R C 1.671 177.946 176.300 -0.041 0.000 1.101 822 R CA 1.493 57.583 56.100 -0.017 0.000 0.979 822 R CB -0.125 30.158 30.300 -0.028 0.000 0.877 822 R HN 0.673 nan 8.270 nan 0.000 0.441 823 E N -0.751 119.381 120.200 -0.113 0.000 2.473 823 E HA 0.124 4.466 4.350 -0.014 0.000 0.204 823 E C 1.326 177.869 176.600 -0.094 0.000 0.994 823 E CA 0.246 56.586 56.400 -0.099 0.000 0.945 823 E CB 0.664 30.281 29.700 -0.137 0.000 0.990 823 E HN 0.279 nan 8.360 nan 0.000 0.493 824 I N -1.044 119.425 120.570 -0.169 0.000 3.673 824 I HA 0.043 4.204 4.170 -0.014 0.000 0.281 824 I C 1.338 177.537 176.117 0.137 0.000 1.182 824 I CA -0.008 61.236 61.300 -0.094 0.000 1.391 824 I CB 0.287 38.093 38.000 -0.323 0.000 1.383 824 I HN 0.114 nan 8.210 nan 0.000 0.456 825 W N 1.403 122.795 121.300 0.153 0.000 2.640 825 W HA 0.335 4.987 4.660 -0.014 0.000 0.268 825 W C 1.548 178.108 176.519 0.069 0.000 1.263 825 W CA 0.848 58.267 57.345 0.122 0.000 1.344 825 W CB -0.889 28.628 29.460 0.096 0.000 1.093 825 W HN 0.292 nan 8.180 nan 0.000 0.603 826 G N 0.992 109.926 108.800 0.222 0.000 2.212 826 G HA2 -0.107 3.844 3.960 -0.014 0.000 0.255 826 G HA3 -0.107 3.844 3.960 -0.014 0.000 0.255 826 G C -0.376 174.601 174.900 0.129 0.000 1.062 826 G CA 0.161 45.342 45.100 0.135 0.000 0.815 826 G HN 0.361 nan 8.290 nan 0.000 0.497 827 V N -4.114 115.892 119.914 0.153 0.000 2.876 827 V HA 0.886 4.998 4.120 -0.014 0.000 0.312 827 V C -0.367 175.786 176.094 0.099 0.000 1.085 827 V CA -1.742 60.629 62.300 0.118 0.000 0.945 827 V CB 2.310 34.212 31.823 0.133 0.000 1.017 827 V HN 0.117 nan 8.190 nan 0.000 0.428 828 E N 4.171 124.412 120.200 0.069 0.000 2.146 828 E HA 0.475 4.817 4.350 -0.014 0.000 0.282 828 E C -2.457 174.175 176.600 0.054 0.000 0.989 828 E CA -1.883 54.550 56.400 0.054 0.000 0.799 828 E CB 1.843 31.568 29.700 0.041 0.000 1.088 828 E HN 0.730 nan 8.360 nan 0.000 0.397 829 P HA 0.036 nan 4.420 nan 0.000 0.267 829 P C -0.430 176.892 177.300 0.037 0.000 1.200 829 P CA -0.015 63.112 63.100 0.046 0.000 0.772 829 P CB 0.885 32.609 31.700 0.040 0.000 0.855 830 S N 1.599 117.320 115.700 0.036 0.000 2.638 830 S HA 0.485 4.946 4.470 -0.014 0.000 0.302 830 S C 0.248 174.865 174.600 0.028 0.000 1.096 830 S CA -0.795 57.424 58.200 0.032 0.000 0.953 830 S CB 1.663 64.884 63.200 0.035 0.000 1.107 830 S HN 0.365 nan 8.310 nan 0.000 0.503 831 R N 1.411 121.926 120.500 0.024 0.000 2.772 831 R HA 0.234 4.565 4.340 -0.014 0.000 0.358 831 R C -0.962 175.347 176.300 0.015 0.000 1.143 831 R CA -0.130 55.984 56.100 0.024 0.000 1.153 831 R CB 0.711 31.028 30.300 0.027 0.000 1.329 831 R HN 0.567 nan 8.270 nan 0.000 0.615 832 Q N 1.060 120.865 119.800 0.010 0.000 2.325 832 Q HA 0.336 4.668 4.340 -0.014 0.000 0.262 832 Q C -0.565 175.425 176.000 -0.017 0.000 0.968 832 Q CA -0.995 54.808 55.803 -0.000 0.000 0.877 832 Q CB 2.029 30.769 28.738 0.004 0.000 1.253 832 Q HN -0.130 nan 8.270 nan 0.000 0.448 833 R N 1.505 121.991 120.500 -0.024 0.000 2.502 833 R HA 0.036 4.368 4.340 -0.014 0.000 0.292 833 R C -0.446 175.820 176.300 -0.056 0.000 0.998 833 R CA -0.113 55.963 56.100 -0.040 0.000 1.056 833 R CB -0.134 30.142 30.300 -0.040 0.000 0.939 833 R HN 0.467 nan 8.270 nan 0.000 0.411 834 L N 6.226 127.401 121.223 -0.081 0.000 2.461 834 L HA 0.202 4.533 4.340 -0.014 0.000 0.272 834 L C -1.785 175.033 176.870 -0.087 0.000 1.197 834 L CA -1.498 53.264 54.840 -0.129 0.000 0.836 834 L CB 0.438 42.397 42.059 -0.167 0.000 1.105 834 L HN 0.564 nan 8.230 nan 0.000 0.477 835 P HA 0.068 nan 4.420 nan 0.000 0.237 835 P C -0.263 177.020 177.300 -0.028 0.000 1.149 835 P CA 1.141 64.220 63.100 -0.035 0.000 1.254 835 P CB -0.293 31.401 31.700 -0.010 0.000 1.382 836 A N 5.831 128.636 122.820 -0.026 0.000 6.624 836 A HA -0.190 4.122 4.320 -0.014 0.000 0.256 836 A C -1.180 176.395 177.584 -0.015 0.000 2.105 836 A CA 0.474 52.501 52.037 -0.017 0.000 0.727 836 A CB -1.717 17.279 19.000 -0.008 0.000 1.026 836 A HN 0.409 nan 8.150 nan 0.000 0.385 837 P HA 0.117 nan 4.420 nan 0.000 0.232 837 P C 0.159 177.461 177.300 0.003 0.000 1.170 837 P CA 0.758 63.861 63.100 0.004 0.000 0.824 837 P CB -0.446 31.262 31.700 0.012 0.000 0.896 838 D N 2.147 122.548 120.400 0.002 0.000 4.723 838 D HA -0.178 4.454 4.640 -0.014 0.000 0.184 838 D C 1.540 177.841 176.300 0.000 0.000 1.137 838 D CA 0.704 54.704 54.000 0.001 0.000 0.724 838 D CB 0.197 40.998 40.800 0.002 0.000 1.242 838 D HN 0.081 nan 8.370 nan 0.000 0.678 839 E N 3.440 123.637 120.200 -0.004 0.000 2.813 839 E HA -0.452 3.889 4.350 -0.014 0.000 0.233 839 E C 0.155 176.752 176.600 -0.004 0.000 0.922 839 E CA 2.592 58.988 56.400 -0.007 0.000 1.351 839 E CB -0.345 29.349 29.700 -0.009 0.000 1.349 839 E HN 0.833 nan 8.360 nan 0.000 0.485 840 K N -0.137 120.261 120.400 -0.003 0.000 6.677 840 K HA -0.173 4.139 4.320 -0.014 0.000 0.638 840 K C -0.537 176.060 176.600 -0.005 0.000 2.505 840 K CA 1.360 57.645 56.287 -0.002 0.000 1.869 840 K CB -0.655 31.847 32.500 0.003 0.000 1.896 840 K HN 0.297 nan 8.250 nan 0.000 0.278 841 I N 3.841 124.408 120.570 -0.006 0.000 2.439 841 I HA 0.328 4.489 4.170 -0.014 0.000 0.283 841 I C -1.492 174.622 176.117 -0.004 0.000 1.023 841 I CA -1.995 59.300 61.300 -0.008 0.000 1.100 841 I CB 0.852 38.845 38.000 -0.011 0.000 1.238 841 I HN 0.830 nan 8.210 nan 0.000 0.445 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 842 P CB 0.000 31.703 31.700 0.005 0.000 0.726