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 1q3g_1_G DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.626 32.600 0.044 0.000 1.302 2 D N 3.717 124.143 120.400 0.043 0.000 2.443 2 D HA 0.369 5.009 4.640 0.000 0.000 0.234 2 D C -0.329 175.978 176.300 0.011 0.000 1.172 2 D CA 0.914 54.936 54.000 0.036 0.000 0.878 2 D CB 0.715 41.532 40.800 0.028 0.000 1.204 2 D HN 0.527 nan 8.370 nan 0.000 0.453 3 K N 0.495 120.919 120.400 0.039 0.000 2.495 3 K HA 0.480 4.800 4.320 0.000 0.000 0.268 3 K C -0.919 175.813 176.600 0.220 0.000 1.008 3 K CA -0.778 55.533 56.287 0.041 0.000 0.882 3 K CB 1.946 34.484 32.500 0.063 0.000 1.443 3 K HN 0.293 nan 8.250 nan 0.000 0.447 4 F N 1.340 121.292 119.950 0.003 0.000 2.467 4 F HA 0.400 4.927 4.527 0.000 0.000 0.336 4 F C 0.177 175.975 175.800 -0.005 0.000 1.123 4 F CA -1.026 56.972 58.000 -0.003 0.000 0.964 4 F CB 1.927 40.917 39.000 -0.016 0.000 1.136 4 F HN 0.239 nan 8.300 nan 0.000 0.447 5 R N 4.276 124.861 120.500 0.142 0.000 2.265 5 R HA 0.581 4.921 4.340 0.000 0.000 0.328 5 R C -1.882 174.423 176.300 0.008 0.000 0.969 5 R CA -0.345 55.792 56.100 0.062 0.000 0.832 5 R CB 1.274 31.598 30.300 0.040 0.000 1.139 5 R HN 0.481 nan 8.270 nan 0.000 0.457 6 V N 4.768 124.689 119.914 0.012 0.000 2.495 6 V HA 0.325 4.446 4.120 0.000 0.000 0.298 6 V C -0.462 175.624 176.094 -0.013 0.000 1.031 6 V CA -0.877 61.412 62.300 -0.018 0.000 0.871 6 V CB 1.826 33.644 31.823 -0.009 0.000 0.988 6 V HN 0.725 nan 8.190 nan 0.000 0.432 7 Q N 2.883 122.670 119.800 -0.022 0.000 2.322 7 Q HA 0.690 5.030 4.340 0.000 0.000 0.265 7 Q C 0.076 176.066 176.000 -0.016 0.000 0.985 7 Q CA -0.223 55.571 55.803 -0.015 0.000 0.849 7 Q CB 2.571 31.299 28.738 -0.016 0.000 1.274 7 Q HN 0.954 nan 8.270 nan 0.000 0.449 8 G N 2.383 111.176 108.800 -0.011 0.000 2.798 8 G HA2 0.720 4.680 3.960 0.000 0.000 0.286 8 G HA3 0.720 4.680 3.960 0.000 0.000 0.286 8 G C -2.856 172.039 174.900 -0.008 0.000 1.389 8 G CA -1.248 43.846 45.100 -0.011 0.000 0.894 8 G HN 0.316 nan 8.290 nan 0.000 0.488 9 P HA 0.377 nan 4.420 nan 0.000 0.281 9 P C -0.710 176.585 177.300 -0.008 0.000 1.249 9 P CA -0.089 63.006 63.100 -0.008 0.000 0.810 9 P CB 1.639 33.336 31.700 -0.006 0.000 1.008 10 T N -0.795 113.753 114.554 -0.009 0.000 2.971 10 T HA 0.403 4.753 4.350 0.000 0.000 0.304 10 T C -0.342 174.354 174.700 -0.006 0.000 1.038 10 T CA -1.038 61.057 62.100 -0.009 0.000 1.007 10 T CB 1.420 70.281 68.868 -0.012 0.000 1.055 10 T HN 0.441 nan 8.240 nan 0.000 0.451 11 R N 3.143 123.640 120.500 -0.005 0.000 2.389 11 R HA 0.472 4.813 4.340 0.000 0.000 0.295 11 R C -0.621 175.679 176.300 -0.000 0.000 1.075 11 R CA -0.591 55.507 56.100 -0.003 0.000 1.005 11 R CB 0.232 30.530 30.300 -0.003 0.000 0.987 11 R HN 0.704 nan 8.270 nan 0.000 0.452 12 L N 6.111 127.338 121.223 0.006 0.000 2.265 12 L HA 0.320 4.660 4.340 0.000 0.000 0.288 12 L C -0.100 176.779 176.870 0.015 0.000 1.058 12 L CA -0.233 54.618 54.840 0.018 0.000 0.809 12 L CB 1.110 43.193 42.059 0.040 0.000 1.179 12 L HN 0.786 nan 8.230 nan 0.000 0.429 13 Q N 2.895 122.699 119.800 0.006 0.000 2.633 13 Q HA 0.770 5.110 4.340 0.000 0.000 0.289 13 Q C -0.433 175.556 176.000 -0.017 0.000 0.940 13 Q CA -0.403 55.397 55.803 -0.005 0.000 0.785 13 Q CB 2.633 31.364 28.738 -0.012 0.000 1.467 13 Q HN 0.670 nan 8.270 nan 0.000 0.401 14 G N 0.844 109.628 108.800 -0.027 0.000 2.250 14 G HA2 -0.021 3.939 3.960 0.000 0.000 0.189 14 G HA3 -0.021 3.939 3.960 0.000 0.000 0.189 14 G C -1.441 173.427 174.900 -0.054 0.000 1.298 14 G CA -0.237 44.839 45.100 -0.041 0.000 1.246 14 G HN 0.705 nan 8.290 nan 0.000 0.513 15 E N -1.462 118.693 120.200 -0.074 0.000 2.369 15 E HA 0.657 5.007 4.350 0.000 0.000 0.270 15 E C -1.464 175.049 176.600 -0.145 0.000 0.909 15 E CA -0.724 55.622 56.400 -0.091 0.000 0.775 15 E CB 3.168 32.819 29.700 -0.081 0.000 1.270 15 E HN 0.962 nan 8.360 nan 0.000 0.445 16 V N 0.918 120.727 119.914 -0.175 0.000 3.048 16 V HA 0.434 4.554 4.120 0.000 0.000 0.303 16 V C -1.512 174.476 176.094 -0.177 0.000 1.214 16 V CA -0.268 61.863 62.300 -0.282 0.000 0.984 16 V CB 2.501 33.936 31.823 -0.647 0.000 1.054 16 V HN 0.709 nan 8.190 nan 0.000 0.430 17 T N 7.391 121.858 114.554 -0.144 0.000 2.756 17 T HA 0.533 4.883 4.350 0.000 0.000 0.290 17 T C -0.180 174.496 174.700 -0.039 0.000 0.985 17 T CA -0.271 61.791 62.100 -0.063 0.000 0.955 17 T CB 0.646 69.491 68.868 -0.039 0.000 0.930 17 T HN 0.483 nan 8.240 nan 0.000 0.451 18 I N 3.225 123.798 120.570 0.005 0.000 2.556 18 I HA 0.137 4.308 4.170 0.000 0.000 0.284 18 I C 1.179 177.319 176.117 0.039 0.000 1.114 18 I CA 0.135 61.466 61.300 0.052 0.000 1.418 18 I CB 0.288 38.332 38.000 0.073 0.000 1.394 18 I HN 0.567 nan 8.210 nan 0.000 0.552 19 S N 4.051 119.782 115.700 0.053 0.000 2.661 19 S HA 0.498 4.968 4.470 0.000 0.000 0.265 19 S C 0.655 175.261 174.600 0.009 0.000 1.225 19 S CA -0.566 57.651 58.200 0.028 0.000 0.986 19 S CB 1.135 64.359 63.200 0.039 0.000 1.008 19 S HN 0.848 nan 8.310 nan 0.000 0.565 20 G N 0.120 108.914 108.800 -0.009 0.000 2.554 20 G HA2 0.441 4.401 3.960 0.000 0.000 0.238 20 G HA3 0.441 4.401 3.960 0.000 0.000 0.238 20 G C -0.067 174.819 174.900 -0.024 0.000 1.259 20 G CA -0.346 44.740 45.100 -0.023 0.000 0.843 20 G HN 0.891 nan 8.290 nan 0.000 0.582 21 A N 1.458 124.263 122.820 -0.025 0.000 2.522 21 A HA 0.246 4.566 4.320 0.000 0.000 0.256 21 A C 1.648 179.215 177.584 -0.027 0.000 1.086 21 A CA 0.337 52.357 52.037 -0.029 0.000 0.763 21 A CB 0.248 19.233 19.000 -0.025 0.000 1.024 21 A HN 0.926 nan 8.150 nan 0.000 0.502 22 K N 2.577 122.957 120.400 -0.035 0.000 2.032 22 K HA -0.176 4.144 4.320 0.000 0.000 0.209 22 K C 0.501 177.121 176.600 0.032 0.000 1.048 22 K CA 1.950 58.229 56.287 -0.013 0.000 0.927 22 K CB -0.125 32.351 32.500 -0.040 0.000 0.712 22 K HN 0.713 nan 8.250 nan 0.000 0.441 23 N N 0.098 118.819 118.700 0.036 0.000 2.434 23 N HA 0.016 4.756 4.740 0.000 0.000 0.196 23 N C 0.542 176.079 175.510 0.045 0.000 1.183 23 N CA 0.730 53.836 53.050 0.094 0.000 0.849 23 N CB 0.851 39.397 38.487 0.098 0.000 0.992 23 N HN 0.374 nan 8.380 nan 0.000 0.460 24 A N -0.161 122.656 122.820 -0.004 0.000 1.997 24 A HA 0.460 4.780 4.320 0.000 0.000 0.198 24 A C 2.107 179.639 177.584 -0.086 0.000 1.449 24 A CA 0.652 52.658 52.037 -0.051 0.000 0.908 24 A CB -0.342 18.640 19.000 -0.029 0.000 0.984 24 A HN 0.179 nan 8.150 nan 0.000 0.487 25 A N 0.460 123.245 122.820 -0.058 0.000 1.877 25 A HA -0.021 4.300 4.320 0.000 0.000 0.216 25 A C 2.110 179.654 177.584 -0.067 0.000 1.186 25 A CA 1.522 53.507 52.037 -0.087 0.000 0.620 25 A CB -0.732 18.232 19.000 -0.061 0.000 0.822 25 A HN 0.436 nan 8.150 nan 0.000 0.443 26 L N -0.007 121.242 121.223 0.044 0.000 1.970 26 L HA -0.133 4.207 4.340 0.000 0.000 0.212 26 L C -0.170 176.817 176.870 0.195 0.000 1.071 26 L CA 1.955 56.920 54.840 0.208 0.000 0.751 26 L CB -1.474 40.845 42.059 0.432 0.000 0.889 26 L HN 0.316 nan 8.230 nan 0.000 0.432 27 P HA -0.169 nan 4.420 nan 0.000 0.218 27 P C 1.808 178.946 177.300 -0.270 0.000 1.149 27 P CA 1.619 64.362 63.100 -0.595 0.000 0.817 27 P CB 0.044 31.135 31.700 -1.016 0.000 0.785 28 I N -0.713 119.697 120.570 -0.268 0.000 2.353 28 I HA -0.178 3.993 4.170 0.000 0.000 0.248 28 I C 2.640 178.536 176.117 -0.369 0.000 1.119 28 I CA 0.977 62.020 61.300 -0.428 0.000 1.417 28 I CB -0.517 37.079 38.000 -0.674 0.000 1.078 28 I HN -0.146 nan 8.210 nan 0.000 0.421 29 L N -0.367 120.707 121.223 -0.248 0.000 2.046 29 L HA -0.216 4.124 4.340 0.000 0.000 0.208 29 L C 2.429 179.202 176.870 -0.163 0.000 1.077 29 L CA 1.599 56.300 54.840 -0.231 0.000 0.747 29 L CB -0.492 41.406 42.059 -0.269 0.000 0.896 29 L HN 0.144 nan 8.230 nan 0.000 0.432 30 F N -0.440 119.507 119.950 -0.005 0.000 2.259 30 F HA -0.119 4.408 4.527 0.000 0.000 0.298 30 F C 2.551 178.395 175.800 0.073 0.000 1.088 30 F CA 0.895 58.936 58.000 0.069 0.000 1.358 30 F CB -0.434 38.647 39.000 0.134 0.000 1.040 30 F HN 0.000 nan 8.300 nan 0.000 0.505 31 A N 0.058 123.001 122.820 0.206 0.000 2.019 31 A HA -0.070 4.250 4.320 0.000 0.000 0.219 31 A C 2.332 180.088 177.584 0.286 0.000 1.164 31 A CA 1.397 53.566 52.037 0.219 0.000 0.644 31 A CB -1.111 18.041 19.000 0.254 0.000 0.805 31 A HN 0.293 nan 8.150 nan 0.000 0.449 32 A N -0.255 122.737 122.820 0.286 0.000 2.070 32 A HA -0.013 4.307 4.320 0.000 0.000 0.220 32 A C 1.944 179.642 177.584 0.189 0.000 1.159 32 A CA 1.197 53.399 52.037 0.275 0.000 0.656 32 A CB -0.580 18.526 19.000 0.176 0.000 0.800 32 A HN 0.497 nan 8.150 nan 0.000 0.453 33 L N -0.795 120.544 121.223 0.193 0.000 2.353 33 L HA -0.146 4.194 4.340 0.000 0.000 0.220 33 L C 2.043 179.050 176.870 0.229 0.000 1.133 33 L CA 0.638 55.616 54.840 0.230 0.000 0.798 33 L CB -0.318 41.910 42.059 0.282 0.000 0.922 33 L HN 0.430 nan 8.230 nan 0.000 0.445 34 L N -0.690 120.625 121.223 0.153 0.000 2.341 34 L HA 0.113 4.453 4.340 0.000 0.000 0.214 34 L C 1.388 178.274 176.870 0.027 0.000 1.115 34 L CA -0.335 54.545 54.840 0.067 0.000 0.820 34 L CB -0.312 41.762 42.059 0.025 0.000 0.944 34 L HN 0.111 nan 8.230 nan 0.000 0.452 35 A N 0.449 123.303 122.820 0.056 0.000 2.450 35 A HA 0.099 4.419 4.320 0.000 0.000 0.255 35 A C 0.964 178.580 177.584 0.053 0.000 1.096 35 A CA -0.160 51.895 52.037 0.031 0.000 0.778 35 A CB 0.203 19.236 19.000 0.055 0.000 1.031 35 A HN 0.314 nan 8.150 nan 0.000 0.494 36 E N 1.354 121.569 120.200 0.024 0.000 2.400 36 E HA 0.011 4.361 4.350 0.000 0.000 0.195 36 E C 0.021 176.649 176.600 0.047 0.000 1.012 36 E CA 0.486 56.909 56.400 0.037 0.000 0.875 36 E CB 0.419 30.124 29.700 0.008 0.000 0.859 36 E HN 0.836 nan 8.360 nan 0.000 0.498 37 E N 0.686 120.911 120.200 0.042 0.000 2.299 37 E HA 0.300 4.650 4.350 0.000 0.000 0.260 37 E C -2.678 173.965 176.600 0.071 0.000 0.944 37 E CA -2.563 53.867 56.400 0.049 0.000 0.815 37 E CB 1.432 31.152 29.700 0.034 0.000 1.252 37 E HN -0.186 nan 8.360 nan 0.000 0.418 38 P HA -0.062 nan 4.420 nan 0.000 0.261 38 P C -1.155 176.223 177.300 0.130 0.000 1.173 38 P CA 0.395 63.564 63.100 0.115 0.000 0.760 38 P CB 0.359 32.129 31.700 0.117 0.000 0.783 39 V N 3.695 123.701 119.914 0.152 0.000 2.604 39 V HA 0.358 4.479 4.120 0.000 0.000 0.305 39 V C 0.035 176.195 176.094 0.109 0.000 1.043 39 V CA -0.428 61.965 62.300 0.156 0.000 0.888 39 V CB 1.968 33.910 31.823 0.198 0.000 0.995 39 V HN 0.482 nan 8.190 nan 0.000 0.429 40 E N 4.440 124.668 120.200 0.046 0.000 2.185 40 E HA 0.523 4.874 4.350 0.000 0.000 0.261 40 E C -1.497 174.990 176.600 -0.188 0.000 0.879 40 E CA -0.559 55.712 56.400 -0.215 0.000 0.756 40 E CB 1.514 31.096 29.700 -0.197 0.000 1.152 40 E HN 0.644 nan 8.360 nan 0.000 0.416 41 I N 4.669 125.058 120.570 -0.303 0.000 2.328 41 I HA 0.176 4.346 4.170 0.000 0.000 0.287 41 I C 0.257 176.198 176.117 -0.294 0.000 1.012 41 I CA -0.516 60.648 61.300 -0.228 0.000 1.195 41 I CB 1.338 39.183 38.000 -0.258 0.000 1.350 41 I HN 0.377 nan 8.210 nan 0.000 0.464 42 Q N 3.994 123.663 119.800 -0.218 0.000 2.260 42 Q HA 0.257 4.598 4.340 0.000 0.000 0.238 42 Q C 0.410 176.317 176.000 -0.155 0.000 0.948 42 Q CA -0.657 55.019 55.803 -0.212 0.000 0.895 42 Q CB 0.649 29.288 28.738 -0.165 0.000 1.218 42 Q HN 0.582 nan 8.270 nan 0.000 0.470 43 N N -0.627 117.996 118.700 -0.128 0.000 2.754 43 N HA -0.167 4.573 4.740 0.000 0.000 0.248 43 N C -1.653 173.808 175.510 -0.081 0.000 1.093 43 N CA 0.250 53.248 53.050 -0.087 0.000 0.699 43 N CB -0.933 37.507 38.487 -0.079 0.000 1.016 43 N HN 0.330 nan 8.380 nan 0.000 0.552 44 V N 1.748 121.602 119.914 -0.100 0.000 2.432 44 V HA 0.364 4.484 4.120 0.000 0.000 0.271 44 V C -1.373 174.693 176.094 -0.048 0.000 1.046 44 V CA -1.040 61.210 62.300 -0.085 0.000 0.945 44 V CB 1.087 32.841 31.823 -0.115 0.000 0.992 44 V HN 0.218 nan 8.190 nan 0.000 0.471 45 P HA 0.151 nan 4.420 nan 0.000 0.272 45 P C -0.769 176.532 177.300 0.003 0.000 1.223 45 P CA -0.445 62.651 63.100 -0.006 0.000 0.784 45 P CB 0.869 32.566 31.700 -0.005 0.000 0.923 46 K N 2.649 123.062 120.400 0.021 0.000 2.206 46 K HA 0.392 4.713 4.320 0.000 0.000 0.268 46 K C -0.191 176.434 176.600 0.041 0.000 1.111 46 K CA -0.203 56.102 56.287 0.030 0.000 0.955 46 K CB -0.079 32.445 32.500 0.039 0.000 1.406 46 K HN 0.424 nan 8.250 nan 0.000 0.427 47 L N 1.150 122.393 121.223 0.033 0.000 2.333 47 L HA 0.361 4.701 4.340 0.000 0.000 0.263 47 L C 1.383 178.277 176.870 0.039 0.000 1.014 47 L CA -1.080 53.785 54.840 0.042 0.000 0.820 47 L CB 1.313 43.391 42.059 0.032 0.000 1.352 47 L HN 0.282 nan 8.230 nan 0.000 0.421 48 K N 0.693 121.121 120.400 0.047 0.000 2.063 48 K HA -0.171 4.149 4.320 0.000 0.000 0.208 48 K C 1.053 177.673 176.600 0.034 0.000 1.048 48 K CA 1.739 58.049 56.287 0.039 0.000 0.928 48 K CB 0.085 32.613 32.500 0.046 0.000 0.713 48 K HN 0.619 nan 8.250 nan 0.000 0.442 49 D N 0.560 120.985 120.400 0.043 0.000 2.178 49 D HA -0.118 4.523 4.640 0.000 0.000 0.202 49 D C 1.838 178.167 176.300 0.048 0.000 0.974 49 D CA 0.535 54.567 54.000 0.053 0.000 0.841 49 D CB 0.051 40.892 40.800 0.068 0.000 0.953 49 D HN 0.159 nan 8.370 nan 0.000 0.478 50 I N 1.329 121.916 120.570 0.029 0.000 2.439 50 I HA -0.164 4.006 4.170 0.000 0.000 0.251 50 I C 1.657 177.770 176.117 -0.007 0.000 1.139 50 I CA 1.023 62.324 61.300 0.003 0.000 1.438 50 I CB -0.722 37.275 38.000 -0.006 0.000 1.085 50 I HN -0.059 nan 8.210 nan 0.000 0.427 51 D N 0.666 121.070 120.400 0.007 0.000 2.097 51 D HA -0.127 4.513 4.640 0.000 0.000 0.197 51 D C 2.143 178.444 176.300 0.000 0.000 0.984 51 D CA 1.572 55.574 54.000 0.004 0.000 0.826 51 D CB -0.262 40.544 40.800 0.010 0.000 0.973 51 D HN 0.237 nan 8.370 nan 0.000 0.460 52 T N 0.450 115.011 114.554 0.011 0.000 2.746 52 T HA -0.108 4.242 4.350 0.000 0.000 0.267 52 T C 2.017 176.728 174.700 0.019 0.000 1.039 52 T CA 1.606 63.717 62.100 0.019 0.000 1.142 52 T CB -0.431 68.456 68.868 0.032 0.000 0.866 52 T HN 0.147 nan 8.240 nan 0.000 0.444 53 T N 2.126 116.682 114.554 0.002 0.000 2.708 53 T HA 0.007 4.357 4.350 0.000 0.000 0.266 53 T C 2.058 176.672 174.700 -0.144 0.000 1.037 53 T CA 1.114 63.156 62.100 -0.097 0.000 1.146 53 T CB -0.343 68.413 68.868 -0.185 0.000 0.865 53 T HN 0.316 nan 8.240 nan 0.000 0.435 54 M N 0.638 120.183 119.600 -0.092 0.000 2.159 54 M HA -0.090 4.390 4.480 0.000 0.000 0.263 54 M C 2.411 178.686 176.300 -0.041 0.000 1.063 54 M CA 1.466 56.724 55.300 -0.069 0.000 1.110 54 M CB -0.306 32.273 32.600 -0.034 0.000 1.374 54 M HN 0.128 nan 8.290 nan 0.000 0.411 55 K N 1.010 121.396 120.400 -0.023 0.000 2.009 55 K HA -0.190 4.130 4.320 0.000 0.000 0.210 55 K C 1.934 178.531 176.600 -0.004 0.000 1.049 55 K CA 1.383 57.666 56.287 -0.008 0.000 0.929 55 K CB -0.265 32.236 32.500 0.001 0.000 0.714 55 K HN 0.306 nan 8.250 nan 0.000 0.440 56 L N 1.189 122.416 121.223 0.006 0.000 2.017 56 L HA -0.205 4.135 4.340 0.000 0.000 0.208 56 L C 2.274 179.151 176.870 0.011 0.000 1.073 56 L CA 1.213 56.075 54.840 0.036 0.000 0.745 56 L CB -0.235 41.889 42.059 0.107 0.000 0.894 56 L HN 0.304 nan 8.230 nan 0.000 0.432 57 L N -0.735 120.464 121.223 -0.041 0.000 2.012 57 L HA -0.271 4.070 4.340 0.000 0.000 0.210 57 L C 2.536 179.390 176.870 -0.028 0.000 1.073 57 L CA 2.054 56.867 54.840 -0.046 0.000 0.748 57 L CB -1.026 40.975 42.059 -0.096 0.000 0.891 57 L HN 0.308 nan 8.230 nan 0.000 0.431 58 T N -1.188 113.350 114.554 -0.026 0.000 2.720 58 T HA -0.293 4.057 4.350 0.000 0.000 0.268 58 T C 1.828 176.510 174.700 -0.031 0.000 1.037 58 T CA 1.422 63.509 62.100 -0.021 0.000 1.144 58 T CB -0.219 68.641 68.868 -0.014 0.000 0.864 58 T HN 0.360 nan 8.240 nan 0.000 0.444 59 Q N 0.294 120.079 119.800 -0.025 0.000 2.364 59 Q HA 0.005 4.345 4.340 0.000 0.000 0.207 59 Q C 1.772 177.733 176.000 -0.064 0.000 0.970 59 Q CA 0.811 56.595 55.803 -0.032 0.000 0.888 59 Q CB -0.173 28.560 28.738 -0.008 0.000 0.951 59 Q HN 0.516 nan 8.270 nan 0.000 0.469 60 L N -1.088 120.092 121.223 -0.071 0.000 2.592 60 L HA 0.192 4.532 4.340 0.000 0.000 0.227 60 L C 1.027 177.784 176.870 -0.188 0.000 1.127 60 L CA 0.538 55.294 54.840 -0.139 0.000 0.884 60 L CB 0.327 42.336 42.059 -0.084 0.000 1.065 60 L HN 0.408 nan 8.230 nan 0.000 0.457 61 G N 0.212 108.941 108.800 -0.118 0.000 2.131 61 G HA2 -0.205 3.755 3.960 0.000 0.000 0.201 61 G HA3 -0.205 3.755 3.960 0.000 0.000 0.201 61 G C 0.125 174.992 174.900 -0.054 0.000 1.000 61 G CA -0.058 44.980 45.100 -0.103 0.000 0.680 61 G HN 0.211 nan 8.290 nan 0.000 0.514 62 T N 0.643 115.178 114.554 -0.032 0.000 2.907 62 T HA 0.543 4.893 4.350 0.000 0.000 0.284 62 T C 0.302 175.007 174.700 0.009 0.000 1.004 62 T CA -0.247 61.855 62.100 0.003 0.000 1.063 62 T CB 1.495 70.369 68.868 0.010 0.000 0.992 62 T HN 0.269 nan 8.240 nan 0.000 0.483 63 K N 2.202 122.620 120.400 0.029 0.000 2.264 63 K HA 0.570 4.890 4.320 0.000 0.000 0.277 63 K C -1.050 175.582 176.600 0.053 0.000 1.067 63 K CA -0.494 55.814 56.287 0.034 0.000 0.900 63 K CB 0.951 33.473 32.500 0.038 0.000 1.124 63 K HN 0.256 nan 8.250 nan 0.000 0.469 64 V N 3.094 123.036 119.914 0.046 0.000 2.735 64 V HA 0.429 4.549 4.120 0.000 0.000 0.310 64 V C -0.599 175.544 176.094 0.082 0.000 1.061 64 V CA -0.864 61.474 62.300 0.064 0.000 0.913 64 V CB 1.792 33.630 31.823 0.025 0.000 1.005 64 V HN 0.890 nan 8.190 nan 0.000 0.428 65 E N 3.896 124.183 120.200 0.145 0.000 2.375 65 E HA 0.770 5.120 4.350 0.000 0.000 0.280 65 E C -1.157 175.627 176.600 0.307 0.000 0.972 65 E CA -1.267 55.232 56.400 0.164 0.000 0.782 65 E CB 2.672 32.434 29.700 0.104 0.000 1.229 65 E HN 0.751 nan 8.360 nan 0.000 0.439 66 R N 0.453 121.105 120.500 0.254 0.000 2.846 66 R HA 0.469 4.809 4.340 0.000 0.000 0.263 66 R C -0.609 175.866 176.300 0.291 0.000 1.080 66 R CA -0.427 55.857 56.100 0.306 0.000 0.961 66 R CB 0.547 30.918 30.300 0.119 0.000 1.231 66 R HN 0.550 nan 8.270 nan 0.000 0.465 67 D N 0.141 120.704 120.400 0.273 0.000 2.256 67 D HA 0.078 4.718 4.640 0.000 0.000 0.279 67 D C 1.419 177.785 176.300 0.109 0.000 1.209 67 D CA 0.845 54.968 54.000 0.204 0.000 0.946 67 D CB -1.031 39.902 40.800 0.222 0.000 0.914 67 D HN 0.613 nan 8.370 nan 0.000 0.278 68 G N -1.046 107.800 108.800 0.077 0.000 2.744 68 G HA2 0.175 4.135 3.960 0.000 0.000 0.211 68 G HA3 0.175 4.135 3.960 0.000 0.000 0.211 68 G C 0.492 175.323 174.900 -0.115 0.000 1.146 68 G CA 0.218 45.313 45.100 -0.008 0.000 0.787 68 G HN 0.357 nan 8.290 nan 0.000 0.534 69 S N -1.230 114.320 115.700 -0.251 0.000 2.704 69 S HA 0.661 5.131 4.470 0.000 0.000 0.305 69 S C -0.875 173.364 174.600 -0.602 0.000 1.107 69 S CA -0.492 57.356 58.200 -0.586 0.000 0.993 69 S CB 2.423 64.963 63.200 -1.100 0.000 1.110 69 S HN -0.059 nan 8.310 nan 0.000 0.534 70 V N 1.862 121.423 119.914 -0.588 0.000 2.407 70 V HA 0.343 4.463 4.120 0.000 0.000 0.291 70 V C -1.073 174.815 176.094 -0.343 0.000 1.018 70 V CA -0.608 61.522 62.300 -0.284 0.000 0.842 70 V CB 1.091 32.816 31.823 -0.163 0.000 0.996 70 V HN 0.776 nan 8.190 nan 0.000 0.426 71 W N 5.583 126.883 121.300 -0.000 0.000 2.331 71 W HA 0.556 5.216 4.660 0.000 0.000 0.306 71 W C -0.689 175.837 176.519 0.011 0.000 1.162 71 W CA -0.569 56.784 57.345 0.013 0.000 1.232 71 W CB 1.541 31.009 29.460 0.013 0.000 1.235 71 W HN 0.303 nan 8.180 nan 0.000 0.479 72 I N 3.189 123.865 120.570 0.177 0.000 2.474 72 I HA 0.163 4.333 4.170 0.000 0.000 0.294 72 I C -0.473 175.724 176.117 0.133 0.000 1.005 72 I CA -0.555 60.819 61.300 0.123 0.000 1.113 72 I CB 1.904 39.948 38.000 0.072 0.000 1.289 72 I HN 0.282 nan 8.210 nan 0.000 0.436 73 D N 5.081 125.545 120.400 0.108 0.000 2.346 73 D HA 0.499 5.139 4.640 0.000 0.000 0.255 73 D C -0.155 176.197 176.300 0.087 0.000 1.276 73 D CA -0.263 53.795 54.000 0.097 0.000 0.941 73 D CB 1.431 42.282 40.800 0.084 0.000 1.199 73 D HN 0.595 nan 8.370 nan 0.000 0.537 74 A N 2.445 125.327 122.820 0.103 0.000 2.708 74 A HA 0.217 4.537 4.320 0.000 0.000 0.293 74 A C 1.683 179.359 177.584 0.153 0.000 1.303 74 A CA 0.233 52.343 52.037 0.123 0.000 0.949 74 A CB -0.272 18.817 19.000 0.148 0.000 1.121 74 A HN 0.433 nan 8.150 nan 0.000 0.542 75 S N -0.061 115.710 115.700 0.119 0.000 2.399 75 S HA -0.110 4.360 4.470 0.000 0.000 0.231 75 S C 0.777 175.469 174.600 0.153 0.000 1.022 75 S CA 0.970 59.242 58.200 0.120 0.000 0.983 75 S CB -0.355 62.895 63.200 0.083 0.000 0.803 75 S HN 0.679 nan 8.310 nan 0.000 0.480 76 N N -0.075 118.698 118.700 0.122 0.000 2.321 76 N HA 0.457 5.197 4.740 0.000 0.000 0.299 76 N C -2.050 173.488 175.510 0.046 0.000 1.048 76 N CA -0.512 52.600 53.050 0.103 0.000 0.836 76 N CB 2.151 40.669 38.487 0.051 0.000 1.269 76 N HN 0.054 nan 8.380 nan 0.000 0.486 77 V N 4.461 124.358 119.914 -0.028 0.000 2.445 77 V HA 0.201 4.321 4.120 0.000 0.000 0.283 77 V C 0.476 176.290 176.094 -0.467 0.000 1.014 77 V CA -0.835 61.296 62.300 -0.283 0.000 0.852 77 V CB 1.125 32.646 31.823 -0.505 0.000 1.021 77 V HN 0.840 nan 8.190 nan 0.000 0.435 78 N N 2.640 121.103 118.700 -0.395 0.000 2.295 78 N HA 0.121 4.861 4.740 0.000 0.000 0.221 78 N C -0.008 175.156 175.510 -0.577 0.000 1.129 78 N CA -0.167 52.646 53.050 -0.396 0.000 0.836 78 N CB 0.595 38.965 38.487 -0.195 0.000 1.040 78 N HN 0.580 nan 8.380 nan 0.000 0.494 79 N N -0.057 118.077 118.700 -0.944 0.000 2.516 79 N HA 0.227 4.967 4.740 0.000 0.000 0.268 79 N C -1.905 173.016 175.510 -0.981 0.000 1.096 79 N CA -0.608 51.960 53.050 -0.803 0.000 0.954 79 N CB 0.797 39.072 38.487 -0.354 0.000 1.676 79 N HN 0.007 nan 8.380 nan 0.000 0.490 80 F N 0.595 120.494 119.950 -0.086 0.000 2.881 80 F HA 0.454 4.982 4.527 0.000 0.000 0.343 80 F C 0.549 176.355 175.800 0.010 0.000 1.233 80 F CA -0.519 57.447 58.000 -0.056 0.000 1.262 80 F CB 0.631 39.596 39.000 -0.058 0.000 0.980 80 F HN 0.313 nan 8.300 nan 0.000 0.506 81 S N 1.111 116.867 115.700 0.093 0.000 2.571 81 S HA 0.837 5.307 4.470 0.000 0.000 0.284 81 S C -0.790 173.889 174.600 0.133 0.000 1.128 81 S CA -0.440 57.832 58.200 0.120 0.000 0.970 81 S CB 1.198 64.433 63.200 0.057 0.000 1.039 81 S HN 0.230 nan 8.310 nan 0.000 0.485 82 A N 6.412 129.347 122.820 0.192 0.000 2.253 82 A HA 0.710 5.031 4.320 0.000 0.000 0.316 82 A C -2.552 175.185 177.584 0.255 0.000 1.327 82 A CA -1.714 50.430 52.037 0.179 0.000 0.917 82 A CB 0.256 19.347 19.000 0.152 0.000 1.162 82 A HN 0.662 nan 8.150 nan 0.000 0.535 83 P HA 0.015 nan 4.420 nan 0.000 0.274 83 P C 0.387 177.819 177.300 0.219 0.000 1.231 83 P CA -0.125 63.174 63.100 0.331 0.000 0.790 83 P CB 0.756 32.586 31.700 0.217 0.000 0.951 84 Y N 3.366 123.736 120.300 0.116 0.000 2.002 84 Y HA -0.332 4.219 4.550 0.000 0.000 0.268 84 Y C 2.105 177.999 175.900 -0.011 0.000 1.177 84 Y CA 2.886 60.959 58.100 -0.045 0.000 1.111 84 Y CB -0.974 37.471 38.460 -0.025 0.000 0.952 84 Y HN 0.438 nan 8.280 nan 0.000 0.491 85 D N -0.208 120.266 120.400 0.124 0.000 2.357 85 D HA -0.234 4.407 4.640 0.000 0.000 0.216 85 D C 2.037 178.291 176.300 -0.076 0.000 0.973 85 D CA 1.454 55.449 54.000 -0.007 0.000 0.912 85 D CB -0.518 40.345 40.800 0.106 0.000 0.900 85 D HN 0.551 nan 8.370 nan 0.000 0.501 86 L N 0.519 121.713 121.223 -0.048 0.000 2.269 86 L HA -0.028 4.312 4.340 0.000 0.000 0.200 86 L C 2.558 179.383 176.870 -0.075 0.000 1.069 86 L CA 0.377 55.197 54.840 -0.034 0.000 0.804 86 L CB 0.130 42.204 42.059 0.026 0.000 0.987 86 L HN -0.009 nan 8.230 nan 0.000 0.468 87 V N -0.674 119.178 119.914 -0.104 0.000 2.809 87 V HA -0.198 3.922 4.120 0.000 0.000 0.256 87 V C 2.229 178.192 176.094 -0.217 0.000 1.080 87 V CA 1.720 63.939 62.300 -0.134 0.000 1.102 87 V CB -0.853 30.889 31.823 -0.135 0.000 0.705 87 V HN 0.616 nan 8.190 nan 0.000 0.475 88 K N 1.669 121.862 120.400 -0.345 0.000 2.442 88 K HA -0.088 4.233 4.320 0.000 0.000 0.198 88 K C 1.727 178.193 176.600 -0.223 0.000 1.042 88 K CA 1.671 57.721 56.287 -0.394 0.000 0.958 88 K CB -0.659 31.436 32.500 -0.676 0.000 0.766 88 K HN 0.660 nan 8.250 nan 0.000 0.474 89 T N -2.230 112.227 114.554 -0.162 0.000 3.022 89 T HA 0.203 4.553 4.350 0.000 0.000 0.250 89 T C 0.549 175.210 174.700 -0.064 0.000 1.060 89 T CA -0.429 61.611 62.100 -0.100 0.000 1.013 89 T CB 0.058 68.877 68.868 -0.082 0.000 0.982 89 T HN 0.258 nan 8.240 nan 0.000 0.508 90 M N 2.259 121.815 119.600 -0.074 0.000 2.356 90 M HA 0.326 4.806 4.480 0.000 0.000 0.215 90 M C 0.539 176.781 176.300 -0.097 0.000 0.978 90 M CA -0.615 54.654 55.300 -0.051 0.000 0.972 90 M CB 1.341 33.949 32.600 0.013 0.000 2.529 90 M HN 0.134 nan 8.290 nan 0.000 0.447 91 R N 2.062 122.475 120.500 -0.144 0.000 2.285 91 R HA 0.055 4.395 4.340 0.000 0.000 0.213 91 R C 0.949 177.055 176.300 -0.323 0.000 1.068 91 R CA 1.456 57.428 56.100 -0.214 0.000 1.004 91 R CB -0.310 29.866 30.300 -0.207 0.000 0.873 91 R HN 0.653 nan 8.270 nan 0.000 0.467 92 A N 1.119 123.757 122.820 -0.302 0.000 2.216 92 A HA 0.000 4.321 4.320 0.000 0.000 0.214 92 A C 1.883 179.171 177.584 -0.493 0.000 1.160 92 A CA 0.943 52.679 52.037 -0.503 0.000 0.725 92 A CB -0.257 18.608 19.000 -0.226 0.000 0.784 92 A HN 0.432 nan 8.150 nan 0.000 0.472 93 S N -0.123 115.416 115.700 -0.267 0.000 2.469 93 S HA -0.153 4.318 4.470 0.000 0.000 0.238 93 S C 1.629 176.006 174.600 -0.372 0.000 0.998 93 S CA 1.136 59.209 58.200 -0.213 0.000 0.957 93 S CB -0.415 62.788 63.200 0.005 0.000 0.764 93 S HN 0.606 nan 8.310 nan 0.000 0.514 94 I N 0.964 121.286 120.570 -0.412 0.000 2.530 94 I HA -0.108 4.063 4.170 0.000 0.000 0.257 94 I C 1.354 177.313 176.117 -0.263 0.000 1.179 94 I CA 0.906 61.993 61.300 -0.354 0.000 1.440 94 I CB -0.379 37.314 38.000 -0.510 0.000 1.087 94 I HN 0.364 nan 8.210 nan 0.000 0.440 95 W N 0.497 121.484 121.300 -0.521 0.000 2.848 95 W HA 0.088 4.748 4.660 0.001 0.000 0.241 95 W C 2.292 178.609 176.519 -0.337 0.000 1.289 95 W CA 0.722 57.798 57.345 -0.449 0.000 1.396 95 W CB -1.132 27.977 29.460 -0.585 0.000 1.138 95 W HN 0.314 nan 8.180 nan 0.000 0.677 96 A N -0.453 122.304 122.820 -0.105 0.000 2.021 96 A HA -0.053 4.268 4.320 0.000 0.000 0.216 96 A C 1.943 179.650 177.584 0.204 0.000 1.163 96 A CA 0.671 52.843 52.037 0.226 0.000 0.676 96 A CB -0.581 18.615 19.000 0.327 0.000 0.818 96 A HN 0.122 nan 8.150 nan 0.000 0.453 97 L N 0.407 121.712 121.223 0.137 0.000 1.990 97 L HA -0.103 4.237 4.340 0.000 0.000 0.213 97 L C 2.426 179.389 176.870 0.155 0.000 1.072 97 L CA 2.399 57.323 54.840 0.140 0.000 0.755 97 L CB -1.072 41.048 42.059 0.101 0.000 0.889 97 L HN 0.324 nan 8.230 nan 0.000 0.432 98 G N -0.721 108.178 108.800 0.165 0.000 2.514 98 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 98 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 98 G C -0.615 174.370 174.900 0.141 0.000 1.198 98 G CA 1.041 46.229 45.100 0.147 0.000 0.780 98 G HN 0.382 nan 8.290 nan 0.000 0.565 99 P HA -0.034 nan 4.420 nan 0.000 0.215 99 P C 2.146 179.586 177.300 0.234 0.000 1.153 99 P CA 0.706 63.915 63.100 0.181 0.000 0.853 99 P CB -0.122 31.713 31.700 0.225 0.000 0.788 100 L N -0.987 120.412 121.223 0.294 0.000 2.012 100 L HA -0.162 4.178 4.340 0.000 0.000 0.210 100 L C 2.483 179.518 176.870 0.276 0.000 1.073 100 L CA 1.487 56.562 54.840 0.392 0.000 0.748 100 L CB -1.232 41.027 42.059 0.334 0.000 0.891 100 L HN -0.082 nan 8.230 nan 0.000 0.431 101 V N -0.188 119.821 119.914 0.157 0.000 2.427 101 V HA -0.203 3.917 4.120 0.000 0.000 0.248 101 V C 2.545 178.664 176.094 0.043 0.000 1.051 101 V CA 1.753 64.100 62.300 0.078 0.000 1.048 101 V CB -0.004 31.855 31.823 0.061 0.000 0.666 101 V HN 0.426 nan 8.190 nan 0.000 0.456 102 A N -0.144 122.704 122.820 0.048 0.000 1.968 102 A HA -0.155 4.165 4.320 0.000 0.000 0.217 102 A C 2.413 179.960 177.584 -0.062 0.000 1.169 102 A CA 1.825 53.861 52.037 -0.002 0.000 0.638 102 A CB -0.461 18.544 19.000 0.008 0.000 0.812 102 A HN 0.590 nan 8.150 nan 0.000 0.446 103 R N -2.355 118.091 120.500 -0.090 0.000 2.146 103 R HA 0.168 4.508 4.340 0.000 0.000 0.206 103 R C 0.528 176.495 176.300 -0.554 0.000 1.049 103 R CA 0.689 56.581 56.100 -0.347 0.000 1.029 103 R CB 0.050 30.058 30.300 -0.487 0.000 0.949 103 R HN 0.442 nan 8.270 nan 0.000 0.471 104 F N -0.542 119.375 119.950 -0.055 0.000 2.682 104 F HA 0.405 4.932 4.527 0.000 0.000 0.308 104 F C 1.283 176.937 175.800 -0.244 0.000 1.093 104 F CA 0.328 58.224 58.000 -0.173 0.000 1.244 104 F CB 1.402 40.205 39.000 -0.329 0.000 1.052 104 F HN 0.253 nan 8.300 nan 0.000 0.573 105 G N 1.097 109.876 108.800 -0.034 0.000 2.189 105 G HA2 -0.282 3.678 3.960 0.000 0.000 0.267 105 G HA3 -0.282 3.678 3.960 0.000 0.000 0.267 105 G C 0.105 174.962 174.900 -0.072 0.000 0.975 105 G CA 0.670 45.737 45.100 -0.054 0.000 0.644 105 G HN 0.534 nan 8.290 nan 0.000 0.537 106 Q N -1.846 117.888 119.800 -0.110 0.000 2.575 106 Q HA 0.673 5.013 4.340 0.000 0.000 0.290 106 Q C -0.434 175.537 176.000 -0.048 0.000 0.963 106 Q CA -0.520 55.218 55.803 -0.109 0.000 0.783 106 Q CB 1.749 30.369 28.738 -0.196 0.000 1.467 106 Q HN 1.700 nan 8.270 nan 0.000 0.402 107 G N 0.915 109.741 108.800 0.043 0.000 2.404 107 G HA2 0.424 4.385 3.960 0.000 0.000 0.298 107 G HA3 0.424 4.385 3.960 0.000 0.000 0.298 107 G C -2.216 172.765 174.900 0.136 0.000 1.577 107 G CA -0.424 44.760 45.100 0.140 0.000 0.847 107 G HN 0.841 nan 8.290 nan 0.000 0.598 108 Q N -0.508 119.394 119.800 0.170 0.000 2.284 108 Q HA 0.741 5.081 4.340 0.000 0.000 0.269 108 Q C -1.784 174.359 176.000 0.237 0.000 1.026 108 Q CA -1.083 54.831 55.803 0.185 0.000 0.831 108 Q CB 2.743 31.579 28.738 0.164 0.000 1.322 108 Q HN 0.619 nan 8.270 nan 0.000 0.419 109 V N 1.365 121.412 119.914 0.223 0.000 2.789 109 V HA 0.431 4.551 4.120 0.000 0.000 0.311 109 V C -0.190 175.941 176.094 0.062 0.000 1.073 109 V CA -0.828 61.571 62.300 0.164 0.000 0.921 109 V CB 1.951 33.806 31.823 0.054 0.000 1.009 109 V HN 0.911 nan 8.190 nan 0.000 0.426 110 S N 4.056 119.676 115.700 -0.134 0.000 2.525 110 S HA 0.216 4.687 4.470 0.000 0.000 0.285 110 S C -0.063 174.376 174.600 -0.268 0.000 1.283 110 S CA -0.380 57.473 58.200 -0.579 0.000 1.072 110 S CB -0.021 62.849 63.200 -0.550 0.000 0.867 110 S HN 0.649 nan 8.310 nan 0.000 0.492 111 L N 8.139 129.228 121.223 -0.224 0.000 2.562 111 L HA 0.220 4.560 4.340 0.000 0.000 0.271 111 L C -1.660 175.139 176.870 -0.118 0.000 1.167 111 L CA -1.435 53.329 54.840 -0.126 0.000 0.917 111 L CB 0.456 42.469 42.059 -0.077 0.000 1.187 111 L HN 0.594 nan 8.230 nan 0.000 0.482 112 P HA 0.086 nan 4.420 nan 0.000 0.268 112 P C -0.001 177.247 177.300 -0.086 0.000 1.205 112 P CA -0.214 62.807 63.100 -0.133 0.000 0.771 112 P CB 0.982 32.581 31.700 -0.167 0.000 0.858 113 G N 1.902 110.662 108.800 -0.067 0.000 2.504 113 G HA2 0.470 4.430 3.960 0.000 0.000 0.257 113 G HA3 0.470 4.430 3.960 0.000 0.000 0.257 113 G C 0.223 175.098 174.900 -0.041 0.000 1.451 113 G CA -0.404 44.677 45.100 -0.031 0.000 1.059 113 G HN 0.624 nan 8.290 nan 0.000 0.550 114 G N -2.069 106.717 108.800 -0.024 0.000 2.569 114 G HA2 0.406 4.366 3.960 0.000 0.000 0.249 114 G HA3 0.406 4.366 3.960 0.000 0.000 0.249 114 G C -0.361 174.517 174.900 -0.036 0.000 1.216 114 G CA 0.083 45.169 45.100 -0.024 0.000 0.845 114 G HN 0.700 nan 8.290 nan 0.000 0.568 115 C N 0.401 119.676 119.300 -0.041 0.000 2.630 115 C HA 0.712 5.173 4.460 0.000 0.000 0.346 115 C C 1.982 176.940 174.990 -0.053 0.000 1.245 115 C CA 0.247 59.229 59.018 -0.059 0.000 1.804 115 C CB 1.213 28.894 27.740 -0.098 0.000 2.279 115 C HN 1.027 nan 8.230 nan 0.000 0.498 116 A N 1.710 124.495 122.820 -0.059 0.000 1.877 116 A HA -0.086 4.234 4.320 0.000 0.000 0.216 116 A C 1.713 179.252 177.584 -0.074 0.000 1.186 116 A CA 2.152 54.157 52.037 -0.054 0.000 0.620 116 A CB -0.723 18.242 19.000 -0.058 0.000 0.822 116 A HN 1.082 nan 8.150 nan 0.000 0.443 117 I N -4.209 116.280 120.570 -0.135 0.000 3.564 117 I HA 0.460 4.630 4.170 0.000 0.000 0.294 117 I C 0.739 176.819 176.117 -0.063 0.000 1.289 117 I CA 0.461 61.671 61.300 -0.151 0.000 1.325 117 I CB -0.346 37.457 38.000 -0.328 0.000 1.039 117 I HN 0.293 nan 8.210 nan 0.000 0.474 118 G N -0.106 108.678 108.800 -0.028 0.000 2.340 118 G HA2 0.412 4.372 3.960 0.000 0.000 0.298 118 G HA3 0.412 4.372 3.960 0.000 0.000 0.298 118 G C 0.077 175.002 174.900 0.043 0.000 1.498 118 G CA -0.284 44.857 45.100 0.068 0.000 0.847 118 G HN 0.030 nan 8.290 nan 0.000 0.594 119 A N 0.097 122.945 122.820 0.046 0.000 2.019 119 A HA 0.176 4.496 4.320 0.000 0.000 0.219 119 A C 1.597 179.195 177.584 0.024 0.000 1.164 119 A CA 1.746 53.796 52.037 0.022 0.000 0.644 119 A CB -0.559 18.451 19.000 0.016 0.000 0.805 119 A HN 1.397 nan 8.150 nan 0.000 0.449 120 R N -1.037 119.505 120.500 0.070 0.000 3.092 120 R HA -0.131 4.210 4.340 0.000 0.000 0.245 120 R C -2.273 174.036 176.300 0.014 0.000 0.881 120 R CA 0.422 56.568 56.100 0.076 0.000 0.614 120 R CB -1.933 28.407 30.300 0.067 0.000 1.128 120 R HN 0.551 nan 8.270 nan 0.000 0.483 121 P HA 0.013 nan 4.420 nan 0.000 0.271 121 P C 0.206 177.509 177.300 0.005 0.000 1.233 121 P CA -0.210 62.889 63.100 -0.001 0.000 0.789 121 P CB 1.022 32.725 31.700 0.006 0.000 0.951 122 V N 0.910 120.820 119.914 -0.007 0.000 3.070 122 V HA -0.013 4.108 4.120 0.000 0.000 0.345 122 V C 1.655 177.822 176.094 0.123 0.000 1.403 122 V CA 0.178 62.481 62.300 0.006 0.000 1.155 122 V CB -0.577 31.121 31.823 -0.208 0.000 1.140 122 V HN 0.617 nan 8.190 nan 0.000 0.505 123 D N 0.433 120.890 120.400 0.096 0.000 2.133 123 D HA -0.277 4.363 4.640 0.000 0.000 0.195 123 D C 1.785 178.184 176.300 0.165 0.000 0.997 123 D CA 1.604 55.667 54.000 0.105 0.000 0.840 123 D CB -0.146 40.684 40.800 0.050 0.000 0.947 123 D HN 0.508 nan 8.370 nan 0.000 0.452 124 L N -0.037 121.276 121.223 0.150 0.000 2.131 124 L HA -0.130 4.210 4.340 0.000 0.000 0.210 124 L C 2.841 179.833 176.870 0.205 0.000 1.092 124 L CA 0.953 55.883 54.840 0.150 0.000 0.759 124 L CB -0.667 41.415 42.059 0.039 0.000 0.903 124 L HN 0.141 nan 8.230 nan 0.000 0.435 125 H N 0.042 119.182 119.070 0.117 0.000 2.293 125 H HA -0.129 4.427 4.556 0.000 0.000 0.300 125 H C 2.458 177.850 175.328 0.108 0.000 1.082 125 H CA 1.845 57.958 56.048 0.108 0.000 1.308 125 H CB 0.067 29.868 29.762 0.064 0.000 1.375 125 H HN 0.322 nan 8.280 nan 0.000 0.495 126 I N 0.357 121.074 120.570 0.246 0.000 2.179 126 I HA -0.287 3.883 4.170 0.000 0.000 0.242 126 I C 2.567 178.772 176.117 0.147 0.000 1.088 126 I CA 1.124 62.520 61.300 0.160 0.000 1.357 126 I CB -0.381 37.697 38.000 0.130 0.000 1.051 126 I HN 0.080 nan 8.210 nan 0.000 0.409 127 F N 1.929 121.908 119.950 0.049 0.000 2.120 127 F HA -0.197 4.330 4.527 0.000 0.000 0.300 127 F C 2.262 178.076 175.800 0.023 0.000 1.095 127 F CA 1.825 59.842 58.000 0.028 0.000 1.249 127 F CB -0.845 38.165 39.000 0.017 0.000 0.995 127 F HN -0.003 nan 8.300 nan 0.000 0.480 128 G N 0.904 109.717 108.800 0.022 0.000 2.421 128 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 128 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 128 G C 1.775 176.601 174.900 -0.123 0.000 1.171 128 G CA 1.088 46.130 45.100 -0.096 0.000 0.775 128 G HN 0.450 nan 8.290 nan 0.000 0.543 129 L N 0.077 121.281 121.223 -0.032 0.000 2.046 129 L HA -0.077 4.263 4.340 0.000 0.000 0.208 129 L C 2.898 179.727 176.870 -0.067 0.000 1.077 129 L CA 1.297 56.124 54.840 -0.021 0.000 0.747 129 L CB -0.469 41.611 42.059 0.034 0.000 0.896 129 L HN 0.310 nan 8.230 nan 0.000 0.432 130 E N -0.057 120.085 120.200 -0.096 0.000 2.110 130 E HA -0.207 4.144 4.350 0.000 0.000 0.193 130 E C 2.121 178.617 176.600 -0.173 0.000 0.988 130 E CA 0.870 57.203 56.400 -0.113 0.000 0.804 130 E CB 0.079 29.719 29.700 -0.101 0.000 0.745 130 E HN 0.306 nan 8.360 nan 0.000 0.458 131 K N 0.378 120.599 120.400 -0.299 0.000 2.283 131 K HA -0.067 4.253 4.320 0.000 0.000 0.202 131 K C 1.869 178.376 176.600 -0.154 0.000 1.048 131 K CA 0.640 56.752 56.287 -0.292 0.000 0.948 131 K CB 0.016 32.239 32.500 -0.461 0.000 0.742 131 K HN 0.241 nan 8.250 nan 0.000 0.458 132 L N -0.390 120.762 121.223 -0.119 0.000 2.591 132 L HA 0.056 4.397 4.340 0.000 0.000 0.228 132 L C 1.159 177.997 176.870 -0.053 0.000 1.133 132 L CA 0.470 55.269 54.840 -0.068 0.000 0.880 132 L CB 0.012 42.042 42.059 -0.048 0.000 1.033 132 L HN 0.378 nan 8.230 nan 0.000 0.450 133 G N -0.492 108.272 108.800 -0.060 0.000 2.201 133 G HA2 -0.205 3.755 3.960 0.000 0.000 0.212 133 G HA3 -0.205 3.755 3.960 0.000 0.000 0.212 133 G C 0.385 175.266 174.900 -0.032 0.000 0.994 133 G CA -0.153 44.922 45.100 -0.043 0.000 0.644 133 G HN 0.414 nan 8.290 nan 0.000 0.508 134 A N 0.183 122.985 122.820 -0.030 0.000 2.407 134 A HA 0.636 4.956 4.320 0.000 0.000 0.248 134 A C 0.310 177.887 177.584 -0.011 0.000 1.082 134 A CA 0.689 52.718 52.037 -0.013 0.000 0.785 134 A CB 0.539 19.539 19.000 -0.000 0.000 1.020 134 A HN 0.596 nan 8.150 nan 0.000 0.489 135 E N 1.411 121.610 120.200 -0.001 0.000 2.151 135 E HA 0.593 4.943 4.350 0.000 0.000 0.275 135 E C -1.310 175.299 176.600 0.016 0.000 0.936 135 E CA -0.333 56.069 56.400 0.004 0.000 0.777 135 E CB 0.699 30.401 29.700 0.003 0.000 1.108 135 E HN 0.572 nan 8.360 nan 0.000 0.401 136 I N 4.460 125.043 120.570 0.023 0.000 2.545 136 I HA 0.384 4.554 4.170 0.000 0.000 0.292 136 I C -0.543 175.597 176.117 0.038 0.000 1.040 136 I CA -0.905 60.416 61.300 0.035 0.000 1.068 136 I CB 1.964 39.990 38.000 0.043 0.000 1.251 136 I HN 0.479 nan 8.210 nan 0.000 0.424 137 K N 4.879 125.306 120.400 0.044 0.000 2.443 137 K HA 0.742 5.062 4.320 0.000 0.000 0.251 137 K C -1.617 175.017 176.600 0.056 0.000 0.972 137 K CA -0.979 55.335 56.287 0.044 0.000 0.833 137 K CB 2.722 35.245 32.500 0.038 0.000 1.317 137 K HN 0.384 nan 8.250 nan 0.000 0.441 138 L N 1.975 123.229 121.223 0.052 0.000 2.301 138 L HA 0.324 4.665 4.340 0.000 0.000 0.278 138 L C -1.285 175.624 176.870 0.065 0.000 1.022 138 L CA 0.153 55.029 54.840 0.060 0.000 0.854 138 L CB 0.696 42.780 42.059 0.042 0.000 1.226 138 L HN 0.818 nan 8.230 nan 0.000 0.429 139 E N 3.087 123.342 120.200 0.092 0.000 2.234 139 E HA 0.426 4.776 4.350 0.000 0.000 0.266 139 E C -0.852 175.829 176.600 0.134 0.000 0.877 139 E CA -0.538 55.912 56.400 0.084 0.000 0.758 139 E CB 1.143 30.878 29.700 0.059 0.000 1.170 139 E HN 0.615 nan 8.360 nan 0.000 0.415 140 E N 1.683 121.945 120.200 0.103 0.000 2.297 140 E HA -0.312 4.038 4.350 0.000 0.000 0.228 140 E C 0.682 177.407 176.600 0.207 0.000 1.213 140 E CA 0.518 56.994 56.400 0.127 0.000 0.712 140 E CB -2.517 27.252 29.700 0.115 0.000 1.202 140 E HN 1.337 nan 8.360 nan 0.000 0.376 141 G N -0.975 107.885 108.800 0.100 0.000 2.168 141 G HA2 -0.372 3.589 3.960 0.000 0.000 0.263 141 G HA3 -0.372 3.589 3.960 0.000 0.000 0.263 141 G C -0.178 174.651 174.900 -0.119 0.000 0.977 141 G CA 0.759 45.853 45.100 -0.010 0.000 0.659 141 G HN 0.465 nan 8.290 nan 0.000 0.533 142 Y N -0.925 119.394 120.300 0.032 0.000 2.409 142 Y HA 0.541 5.091 4.550 0.000 0.000 0.339 142 Y C 0.513 176.432 175.900 0.031 0.000 1.033 142 Y CA -0.655 57.468 58.100 0.039 0.000 1.094 142 Y CB 2.158 40.643 38.460 0.042 0.000 1.210 142 Y HN 0.482 nan 8.280 nan 0.000 0.456 143 V N 3.333 123.330 119.914 0.137 0.000 2.368 143 V HA 0.481 4.602 4.120 0.000 0.000 0.266 143 V C -0.827 175.345 176.094 0.129 0.000 1.045 143 V CA -0.706 61.653 62.300 0.098 0.000 0.899 143 V CB 0.200 32.051 31.823 0.047 0.000 1.006 143 V HN 0.723 nan 8.190 nan 0.000 0.470 144 K N 5.788 126.255 120.400 0.112 0.000 2.265 144 K HA 0.808 5.129 4.320 0.000 0.000 0.267 144 K C -0.280 176.360 176.600 0.067 0.000 0.994 144 K CA -0.229 56.115 56.287 0.095 0.000 0.860 144 K CB 2.025 34.573 32.500 0.079 0.000 1.099 144 K HN 0.932 nan 8.250 nan 0.000 0.448 145 A N 1.837 124.695 122.820 0.064 0.000 2.355 145 A HA 0.756 5.077 4.320 0.000 0.000 0.324 145 A C -0.649 176.952 177.584 0.028 0.000 1.117 145 A CA -0.611 51.454 52.037 0.046 0.000 0.785 145 A CB 1.263 20.297 19.000 0.055 0.000 1.254 145 A HN 0.715 nan 8.150 nan 0.000 0.453 146 S N -0.340 115.369 115.700 0.014 0.000 2.596 146 S HA 0.786 5.256 4.470 0.000 0.000 0.270 146 S C -1.354 173.242 174.600 -0.007 0.000 1.155 146 S CA -0.446 57.752 58.200 -0.003 0.000 0.827 146 S CB 1.334 64.530 63.200 -0.007 0.000 1.130 146 S HN 2.163 nan 8.310 nan 0.000 0.467 147 V N 0.987 120.890 119.914 -0.017 0.000 2.852 147 V HA 0.539 4.659 4.120 0.000 0.000 0.300 147 V C -1.856 174.224 176.094 -0.023 0.000 1.205 147 V CA -0.659 61.630 62.300 -0.018 0.000 0.940 147 V CB 2.058 33.870 31.823 -0.019 0.000 1.047 147 V HN 1.025 nan 8.190 nan 0.000 0.429 148 N N 4.598 123.286 118.700 -0.020 0.000 2.402 148 N HA 0.635 5.375 4.740 0.000 0.000 0.252 148 N C 0.416 175.912 175.510 -0.023 0.000 1.118 148 N CA 1.590 54.629 53.050 -0.020 0.000 0.945 148 N CB 1.142 39.620 38.487 -0.015 0.000 1.147 148 N HN 1.404 nan 8.380 nan 0.000 0.495 149 G N 1.892 110.676 108.800 -0.027 0.000 2.542 149 G HA2 -0.253 3.708 3.960 0.000 0.000 0.235 149 G HA3 -0.253 3.708 3.960 0.000 0.000 0.235 149 G C -0.484 174.395 174.900 -0.036 0.000 1.286 149 G CA -0.712 44.370 45.100 -0.030 0.000 0.904 149 G HN 0.552 nan 8.290 nan 0.000 0.577 150 R N -0.632 119.846 120.500 -0.036 0.000 2.577 150 R HA 0.570 4.910 4.340 0.000 0.000 0.269 150 R C 0.610 176.890 176.300 -0.033 0.000 1.084 150 R CA -0.546 55.530 56.100 -0.040 0.000 1.163 150 R CB 0.326 30.601 30.300 -0.041 0.000 1.100 150 R HN 0.460 nan 8.270 nan 0.000 0.547 151 L N 1.326 122.529 121.223 -0.033 0.000 2.439 151 L HA 0.288 4.628 4.340 0.000 0.000 0.261 151 L C 0.392 177.244 176.870 -0.030 0.000 1.153 151 L CA -0.145 54.677 54.840 -0.029 0.000 0.808 151 L CB 0.448 42.492 42.059 -0.026 0.000 1.126 151 L HN 0.328 nan 8.230 nan 0.000 0.460 152 K N 0.415 120.797 120.400 -0.030 0.000 2.221 152 K HA 0.413 4.733 4.320 0.000 0.000 0.258 152 K C -0.084 176.499 176.600 -0.027 0.000 0.944 152 K CA -0.692 55.578 56.287 -0.028 0.000 0.823 152 K CB 1.792 34.277 32.500 -0.025 0.000 1.113 152 K HN 0.729 nan 8.250 nan 0.000 0.431 153 G N 0.995 109.780 108.800 -0.025 0.000 2.484 153 G HA2 0.373 4.333 3.960 0.000 0.000 0.235 153 G HA3 0.373 4.333 3.960 0.000 0.000 0.235 153 G C -0.633 174.258 174.900 -0.015 0.000 1.282 153 G CA -0.107 44.980 45.100 -0.022 0.000 0.857 153 G HN 0.622 nan 8.290 nan 0.000 0.571 154 A N 1.062 123.880 122.820 -0.004 0.000 2.609 154 A HA 0.658 4.979 4.320 0.000 0.000 0.291 154 A C -0.966 176.667 177.584 0.080 0.000 1.096 154 A CA -0.714 51.335 52.037 0.020 0.000 0.684 154 A CB 1.075 20.067 19.000 -0.013 0.000 1.282 154 A HN 0.947 nan 8.150 nan 0.000 0.412 155 H N 0.951 120.011 119.070 -0.017 0.000 2.690 155 H HA 0.602 5.158 4.556 0.000 0.000 0.289 155 H C -1.022 174.313 175.328 0.012 0.000 1.089 155 H CA -0.470 55.578 56.048 -0.001 0.000 1.299 155 H CB 0.198 29.963 29.762 0.005 0.000 1.405 155 H HN 0.470 nan 8.280 nan 0.000 0.463 156 I N 6.271 126.940 120.570 0.165 0.000 2.362 156 I HA 0.163 4.333 4.170 0.000 0.000 0.289 156 I C -0.482 175.691 176.117 0.093 0.000 0.994 156 I CA -0.982 60.374 61.300 0.093 0.000 1.158 156 I CB 1.808 39.856 38.000 0.080 0.000 1.315 156 I HN 0.291 nan 8.210 nan 0.000 0.451 157 V N 6.700 126.659 119.914 0.074 0.000 2.350 157 V HA 0.319 4.440 4.120 0.000 0.000 0.276 157 V C 0.455 176.590 176.094 0.069 0.000 1.028 157 V CA -0.596 61.718 62.300 0.023 0.000 0.860 157 V CB 1.275 33.062 31.823 -0.061 0.000 0.990 157 V HN 0.625 nan 8.190 nan 0.000 0.453 158 M N 4.480 124.108 119.600 0.045 0.000 2.184 158 M HA 0.191 4.671 4.480 0.000 0.000 0.351 158 M C 0.373 176.629 176.300 -0.074 0.000 1.395 158 M CA -0.142 55.157 55.300 -0.002 0.000 1.117 158 M CB 0.440 33.048 32.600 0.014 0.000 1.708 158 M HN 0.799 nan 8.290 nan 0.000 0.468 159 D N 2.180 122.482 120.400 -0.163 0.000 2.690 159 D HA 0.269 4.909 4.640 0.000 0.000 0.236 159 D C -0.123 176.105 176.300 -0.119 0.000 1.218 159 D CA -0.188 53.725 54.000 -0.145 0.000 0.829 159 D CB 0.241 40.928 40.800 -0.188 0.000 1.009 159 D HN 0.544 nan 8.370 nan 0.000 0.482 160 K N -0.500 119.845 120.400 -0.091 0.000 2.768 160 K HA 0.172 4.492 4.320 0.000 0.000 0.283 160 K C -1.852 174.715 176.600 -0.055 0.000 1.078 160 K CA -0.719 55.523 56.287 -0.075 0.000 0.920 160 K CB 1.406 33.855 32.500 -0.086 0.000 1.390 160 K HN -0.091 nan 8.250 nan 0.000 0.389 161 V N 2.730 122.616 119.914 -0.047 0.000 2.408 161 V HA 0.331 4.451 4.120 0.000 0.000 0.267 161 V C -0.106 175.969 176.094 -0.031 0.000 1.047 161 V CA -0.057 62.225 62.300 -0.030 0.000 0.937 161 V CB 0.959 32.769 31.823 -0.022 0.000 0.999 161 V HN 0.619 nan 8.190 nan 0.000 0.472 162 S N 4.154 119.845 115.700 -0.014 0.000 2.647 162 S HA 0.418 4.888 4.470 0.000 0.000 0.300 162 S C 0.538 175.161 174.600 0.037 0.000 1.129 162 S CA -0.609 57.593 58.200 0.002 0.000 1.029 162 S CB 1.898 65.090 63.200 -0.012 0.000 1.007 162 S HN 0.312 nan 8.310 nan 0.000 0.484 163 V N 5.439 125.403 119.914 0.084 0.000 2.270 163 V HA 0.002 4.123 4.120 0.000 0.000 0.245 163 V C 2.684 178.921 176.094 0.238 0.000 1.043 163 V CA 2.525 64.908 62.300 0.138 0.000 1.014 163 V CB -1.283 30.642 31.823 0.171 0.000 0.645 163 V HN 0.952 nan 8.190 nan 0.000 0.447 164 G N -0.280 108.710 108.800 0.318 0.000 2.459 164 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 164 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 164 G C 1.790 176.799 174.900 0.182 0.000 1.183 164 G CA 1.175 46.602 45.100 0.546 0.000 0.776 164 G HN 0.614 nan 8.290 nan 0.000 0.552 165 A N 0.055 122.638 122.820 -0.395 0.000 1.940 165 A HA -0.031 4.289 4.320 0.000 0.000 0.219 165 A C 2.522 180.001 177.584 -0.174 0.000 1.176 165 A CA 2.505 54.147 52.037 -0.659 0.000 0.631 165 A CB -0.969 17.795 19.000 -0.393 0.000 0.814 165 A HN 0.318 nan 8.150 nan 0.000 0.446 166 T N -0.446 114.081 114.554 -0.045 0.000 2.788 166 T HA -0.110 4.240 4.350 0.000 0.000 0.268 166 T C 1.862 176.562 174.700 0.000 0.000 1.044 166 T CA 1.535 63.633 62.100 -0.003 0.000 1.139 166 T CB -0.361 68.515 68.868 0.014 0.000 0.867 166 T HN 0.172 nan 8.240 nan 0.000 0.454 167 V N 1.356 121.286 119.914 0.026 0.000 2.307 167 V HA -0.181 3.940 4.120 0.000 0.000 0.245 167 V C 2.793 178.869 176.094 -0.030 0.000 1.045 167 V CA 1.974 64.233 62.300 -0.069 0.000 1.024 167 V CB -1.120 30.542 31.823 -0.269 0.000 0.651 167 V HN 0.499 nan 8.190 nan 0.000 0.449 168 T N 0.517 115.143 114.554 0.121 0.000 2.635 168 T HA -0.197 4.154 4.350 0.000 0.000 0.267 168 T C 1.795 176.541 174.700 0.077 0.000 1.040 168 T CA 2.170 64.378 62.100 0.180 0.000 1.156 168 T CB -0.328 68.722 68.868 0.303 0.000 0.863 168 T HN 0.344 nan 8.240 nan 0.000 0.430 169 I N 0.692 121.283 120.570 0.035 0.000 2.179 169 I HA -0.180 3.990 4.170 0.000 0.000 0.242 169 I C 2.615 178.736 176.117 0.007 0.000 1.088 169 I CA 1.360 62.672 61.300 0.020 0.000 1.357 169 I CB -0.415 37.593 38.000 0.014 0.000 1.051 169 I HN 0.259 nan 8.210 nan 0.000 0.409 170 M N 0.346 119.944 119.600 -0.003 0.000 2.117 170 M HA -0.213 4.267 4.480 0.000 0.000 0.262 170 M C 2.402 178.689 176.300 -0.022 0.000 1.065 170 M CA 1.860 57.150 55.300 -0.016 0.000 1.114 170 M CB -0.011 32.572 32.600 -0.027 0.000 1.361 170 M HN 0.122 nan 8.290 nan 0.000 0.408 171 S N 0.711 116.400 115.700 -0.019 0.000 2.355 171 S HA -0.046 4.424 4.470 0.000 0.000 0.222 171 S C 2.028 176.630 174.600 0.004 0.000 1.031 171 S CA 1.281 59.475 58.200 -0.011 0.000 0.993 171 S CB -0.507 62.692 63.200 -0.002 0.000 0.859 171 S HN 0.693 nan 8.310 nan 0.000 0.453 172 A N 1.533 124.365 122.820 0.020 0.000 1.933 172 A HA 0.125 4.445 4.320 0.000 0.000 0.218 172 A C 2.309 179.890 177.584 -0.005 0.000 1.175 172 A CA 1.635 53.684 52.037 0.019 0.000 0.628 172 A CB -0.999 18.021 19.000 0.032 0.000 0.814 172 A HN 0.512 nan 8.150 nan 0.000 0.444 173 A N -0.072 122.741 122.820 -0.011 0.000 2.019 173 A HA -0.081 4.239 4.320 0.000 0.000 0.219 173 A C 2.336 179.902 177.584 -0.031 0.000 1.164 173 A CA 2.281 54.306 52.037 -0.021 0.000 0.644 173 A CB -1.395 17.594 19.000 -0.018 0.000 0.805 173 A HN 0.812 nan 8.150 nan 0.000 0.449 174 T N -1.918 112.614 114.554 -0.036 0.000 2.849 174 T HA -0.053 4.297 4.350 0.000 0.000 0.270 174 T C 1.295 175.963 174.700 -0.052 0.000 1.066 174 T CA 1.492 63.563 62.100 -0.049 0.000 1.130 174 T CB -0.361 68.470 68.868 -0.063 0.000 0.864 174 T HN 0.330 nan 8.240 nan 0.000 0.481 175 L N 0.558 121.752 121.223 -0.048 0.000 2.769 175 L HA 0.543 4.883 4.340 0.000 0.000 0.240 175 L C 1.271 178.112 176.870 -0.049 0.000 1.163 175 L CA -0.583 54.224 54.840 -0.056 0.000 0.962 175 L CB -0.270 41.748 42.059 -0.068 0.000 1.258 175 L HN 0.307 nan 8.230 nan 0.000 0.513 176 A N 0.266 123.061 122.820 -0.041 0.000 2.287 176 A HA 0.254 4.574 4.320 0.000 0.000 0.273 176 A C 0.078 177.640 177.584 -0.036 0.000 1.091 176 A CA -0.253 51.762 52.037 -0.036 0.000 0.817 176 A CB 0.451 19.433 19.000 -0.031 0.000 1.069 176 A HN 0.253 nan 8.150 nan 0.000 0.492 177 E N -0.018 120.162 120.200 -0.033 0.000 2.044 177 E HA 0.467 4.817 4.350 0.000 0.000 0.282 177 E C 0.476 177.059 176.600 -0.029 0.000 1.031 177 E CA 0.746 57.127 56.400 -0.031 0.000 0.824 177 E CB 0.198 29.880 29.700 -0.029 0.000 1.076 177 E HN 1.336 nan 8.360 nan 0.000 0.395 178 G N 2.696 111.478 108.800 -0.029 0.000 2.447 178 G HA2 -0.173 3.787 3.960 0.000 0.000 0.220 178 G HA3 -0.173 3.787 3.960 0.000 0.000 0.220 178 G C -0.577 174.304 174.900 -0.031 0.000 1.261 178 G CA -0.588 44.495 45.100 -0.028 0.000 1.000 178 G HN 0.461 nan 8.290 nan 0.000 0.515 179 T N 1.112 115.647 114.554 -0.033 0.000 2.824 179 T HA 0.706 5.056 4.350 0.000 0.000 0.280 179 T C -0.026 174.653 174.700 -0.036 0.000 0.995 179 T CA 0.213 62.291 62.100 -0.038 0.000 1.009 179 T CB 1.548 70.388 68.868 -0.047 0.000 0.955 179 T HN 0.740 nan 8.240 nan 0.000 0.452 180 T N 3.518 118.054 114.554 -0.031 0.000 2.856 180 T HA 0.660 5.011 4.350 0.000 0.000 0.283 180 T C -0.389 174.300 174.700 -0.018 0.000 1.008 180 T CA -0.525 61.565 62.100 -0.016 0.000 0.997 180 T CB 0.717 69.579 68.868 -0.009 0.000 0.992 180 T HN 0.411 nan 8.240 nan 0.000 0.454 181 I N 3.264 123.839 120.570 0.009 0.000 2.478 181 I HA 0.432 4.603 4.170 0.000 0.000 0.287 181 I C -0.712 175.485 176.117 0.132 0.000 1.042 181 I CA -0.768 60.544 61.300 0.020 0.000 1.067 181 I CB 1.791 39.715 38.000 -0.127 0.000 1.233 181 I HN 0.463 nan 8.210 nan 0.000 0.431 182 I N 5.866 126.490 120.570 0.089 0.000 2.307 182 I HA 0.266 4.436 4.170 0.000 0.000 0.289 182 I C 0.065 176.241 176.117 0.098 0.000 1.021 182 I CA -0.597 60.760 61.300 0.095 0.000 1.224 182 I CB 0.886 38.918 38.000 0.054 0.000 1.376 182 I HN 0.432 nan 8.210 nan 0.000 0.470 183 E N 5.031 125.299 120.200 0.113 0.000 2.249 183 E HA 0.122 4.472 4.350 0.000 0.000 0.280 183 E C 0.129 176.756 176.600 0.045 0.000 1.016 183 E CA -0.346 56.104 56.400 0.084 0.000 0.830 183 E CB 1.087 30.825 29.700 0.062 0.000 1.081 183 E HN 0.561 nan 8.360 nan 0.000 0.395 184 N N 0.646 119.365 118.700 0.032 0.000 2.758 184 N HA -0.219 4.521 4.740 0.000 0.000 0.248 184 N C -1.117 174.404 175.510 0.018 0.000 1.076 184 N CA 0.794 53.853 53.050 0.016 0.000 0.696 184 N CB -0.851 37.636 38.487 0.000 0.000 0.979 184 N HN 0.575 nan 8.380 nan 0.000 0.550 185 A N -0.080 122.755 122.820 0.026 0.000 2.366 185 A HA 0.701 5.022 4.320 0.000 0.000 0.249 185 A C 0.904 178.502 177.584 0.024 0.000 1.084 185 A CA 0.144 52.196 52.037 0.025 0.000 0.794 185 A CB 0.340 19.356 19.000 0.027 0.000 1.034 185 A HN 0.874 nan 8.150 nan 0.000 0.491 186 A N 0.729 123.564 122.820 0.025 0.000 2.440 186 A HA 0.483 4.803 4.320 0.000 0.000 0.251 186 A C 0.690 178.299 177.584 0.042 0.000 1.089 186 A CA -0.285 51.773 52.037 0.035 0.000 0.779 186 A CB 0.011 19.034 19.000 0.039 0.000 1.022 186 A HN 0.757 nan 8.150 nan 0.000 0.492 187 R N 0.737 121.277 120.500 0.067 0.000 2.427 187 R HA 0.178 4.519 4.340 0.000 0.000 0.262 187 R C -0.349 176.011 176.300 0.100 0.000 0.943 187 R CA -0.114 56.039 56.100 0.088 0.000 1.081 187 R CB -0.002 30.365 30.300 0.112 0.000 1.166 187 R HN 0.770 nan 8.270 nan 0.000 0.534 188 E N 1.126 121.348 120.200 0.036 0.000 2.481 188 E HA -0.053 4.297 4.350 0.000 0.000 0.263 188 E C -1.569 174.920 176.600 -0.184 0.000 0.992 188 E CA -1.040 55.279 56.400 -0.135 0.000 0.938 188 E CB 0.465 30.123 29.700 -0.069 0.000 0.933 188 E HN -0.063 nan 8.360 nan 0.000 0.453 189 P HA -0.169 nan 4.420 nan 0.000 0.217 189 P C 0.301 177.543 177.300 -0.097 0.000 1.148 189 P CA 1.191 64.175 63.100 -0.193 0.000 0.828 189 P CB 0.297 31.856 31.700 -0.236 0.000 0.783 190 E N -0.957 119.185 120.200 -0.096 0.000 2.150 190 E HA -0.123 4.227 4.350 0.000 0.000 0.193 190 E C 1.954 178.518 176.600 -0.060 0.000 0.985 190 E CA 0.791 57.156 56.400 -0.059 0.000 0.814 190 E CB -0.863 28.813 29.700 -0.040 0.000 0.752 190 E HN 0.195 nan 8.360 nan 0.000 0.466 191 I N 0.248 120.787 120.570 -0.053 0.000 2.226 191 I HA -0.201 3.969 4.170 0.000 0.000 0.245 191 I C 2.110 178.204 176.117 -0.038 0.000 1.100 191 I CA 0.938 62.210 61.300 -0.046 0.000 1.374 191 I CB -0.953 37.035 38.000 -0.021 0.000 1.057 191 I HN 0.023 nan 8.210 nan 0.000 0.413 192 V N 0.975 120.875 119.914 -0.024 0.000 2.343 192 V HA -0.291 3.829 4.120 0.000 0.000 0.247 192 V C 2.271 178.371 176.094 0.009 0.000 1.051 192 V CA 2.145 64.443 62.300 -0.003 0.000 1.036 192 V CB -0.688 31.140 31.823 0.008 0.000 0.654 192 V HN 0.305 nan 8.190 nan 0.000 0.451 193 D N -0.244 120.166 120.400 0.016 0.000 2.117 193 D HA -0.137 4.503 4.640 0.000 0.000 0.197 193 D C 2.275 178.539 176.300 -0.060 0.000 0.987 193 D CA 1.724 55.763 54.000 0.064 0.000 0.829 193 D CB -0.124 40.726 40.800 0.084 0.000 0.961 193 D HN 0.394 nan 8.370 nan 0.000 0.460 194 T N -0.352 114.151 114.554 -0.085 0.000 2.821 194 T HA -0.081 4.269 4.350 0.000 0.000 0.267 194 T C 1.910 176.564 174.700 -0.076 0.000 1.046 194 T CA 1.252 63.289 62.100 -0.105 0.000 1.139 194 T CB -0.368 68.415 68.868 -0.142 0.000 0.871 194 T HN 0.201 nan 8.240 nan 0.000 0.454 195 A N 2.672 125.450 122.820 -0.071 0.000 1.877 195 A HA -0.162 4.158 4.320 0.000 0.000 0.216 195 A C 2.229 179.759 177.584 -0.089 0.000 1.186 195 A CA 1.539 53.536 52.037 -0.066 0.000 0.620 195 A CB -0.649 18.328 19.000 -0.040 0.000 0.822 195 A HN 0.388 nan 8.150 nan 0.000 0.443 196 N N -1.020 117.635 118.700 -0.075 0.000 2.289 196 N HA -0.120 4.620 4.740 0.000 0.000 0.184 196 N C 1.342 176.710 175.510 -0.237 0.000 1.016 196 N CA 1.368 54.385 53.050 -0.055 0.000 0.872 196 N CB -0.577 37.986 38.487 0.128 0.000 0.973 196 N HN 0.571 nan 8.380 nan 0.000 0.433 197 F N 1.752 121.278 119.950 -0.706 0.000 2.113 197 F HA 0.002 4.529 4.527 0.000 0.000 0.297 197 F C 1.981 177.569 175.800 -0.354 0.000 1.103 197 F CA 0.954 58.430 58.000 -0.874 0.000 1.248 197 F CB -0.543 37.939 39.000 -0.864 0.000 0.999 197 F HN -0.107 nan 8.300 nan 0.000 0.475 198 L N -0.342 120.612 121.223 -0.449 0.000 2.042 198 L HA -0.237 4.103 4.340 0.000 0.000 0.210 198 L C 2.412 179.087 176.870 -0.325 0.000 1.076 198 L CA 1.153 55.735 54.840 -0.430 0.000 0.749 198 L CB -0.978 40.961 42.059 -0.200 0.000 0.893 198 L HN 0.040 nan 8.230 nan 0.000 0.432 199 V N 0.074 119.857 119.914 -0.218 0.000 2.407 199 V HA -0.287 3.833 4.120 0.000 0.000 0.248 199 V C 2.709 178.719 176.094 -0.141 0.000 1.055 199 V CA 1.745 63.962 62.300 -0.139 0.000 1.049 199 V CB -0.834 30.944 31.823 -0.075 0.000 0.662 199 V HN 0.497 nan 8.190 nan 0.000 0.455 200 A N -0.477 122.238 122.820 -0.175 0.000 2.015 200 A HA -0.064 4.256 4.320 0.000 0.000 0.219 200 A C 2.068 179.546 177.584 -0.177 0.000 1.163 200 A CA 1.305 53.275 52.037 -0.112 0.000 0.646 200 A CB -0.407 18.587 19.000 -0.010 0.000 0.806 200 A HN 0.536 nan 8.150 nan 0.000 0.448 201 L N -1.677 119.353 121.223 -0.321 0.000 2.599 201 L HA 0.177 4.518 4.340 0.000 0.000 0.230 201 L C 1.680 178.448 176.870 -0.170 0.000 1.141 201 L CA 0.643 55.316 54.840 -0.278 0.000 0.877 201 L CB -0.064 41.744 42.059 -0.417 0.000 1.009 201 L HN 0.592 nan 8.230 nan 0.000 0.447 202 G N -0.670 108.043 108.800 -0.146 0.000 2.192 202 G HA2 -0.181 3.780 3.960 0.000 0.000 0.193 202 G HA3 -0.181 3.780 3.960 0.000 0.000 0.193 202 G C 0.407 175.250 174.900 -0.096 0.000 0.999 202 G CA -0.171 44.869 45.100 -0.100 0.000 0.659 202 G HN 0.410 nan 8.290 nan 0.000 0.503 203 A N 0.173 122.920 122.820 -0.122 0.000 2.406 203 A HA 0.618 4.939 4.320 0.000 0.000 0.243 203 A C 0.457 177.994 177.584 -0.079 0.000 1.082 203 A CA 0.555 52.531 52.037 -0.102 0.000 0.786 203 A CB 0.291 19.218 19.000 -0.120 0.000 1.029 203 A HN 0.379 nan 8.150 nan 0.000 0.495 204 K N 1.209 121.571 120.400 -0.063 0.000 2.464 204 K HA 0.566 4.886 4.320 0.000 0.000 0.252 204 K C -1.373 175.199 176.600 -0.046 0.000 1.000 204 K CA 0.294 56.551 56.287 -0.050 0.000 0.951 204 K CB 0.940 33.414 32.500 -0.042 0.000 1.183 204 K HN 0.585 nan 8.250 nan 0.000 0.445 205 I N 1.290 121.834 120.570 -0.044 0.000 2.730 205 I HA 0.354 4.524 4.170 0.000 0.000 0.298 205 I C -0.320 175.781 176.117 -0.027 0.000 1.089 205 I CA -0.802 60.476 61.300 -0.037 0.000 1.041 205 I CB 2.339 40.314 38.000 -0.043 0.000 1.235 205 I HN 0.538 nan 8.210 nan 0.000 0.423 206 S N 1.957 117.644 115.700 -0.022 0.000 2.556 206 S HA 0.806 5.276 4.470 0.000 0.000 0.271 206 S C 0.134 174.728 174.600 -0.010 0.000 1.135 206 S CA 0.004 58.196 58.200 -0.015 0.000 0.858 206 S CB 2.004 65.195 63.200 -0.015 0.000 1.114 206 S HN 1.380 nan 8.310 nan 0.000 0.468 207 G N 0.847 109.645 108.800 -0.004 0.000 2.194 207 G HA2 -0.241 3.719 3.960 0.000 0.000 0.236 207 G HA3 -0.241 3.719 3.960 0.000 0.000 0.236 207 G C 0.135 175.038 174.900 0.006 0.000 0.987 207 G CA 0.094 45.195 45.100 0.002 0.000 0.635 207 G HN 1.330 nan 8.290 nan 0.000 0.520 208 Q N 0.488 120.290 119.800 0.002 0.000 2.283 208 Q HA 0.372 4.712 4.340 0.000 0.000 0.301 208 Q C 1.165 177.173 176.000 0.015 0.000 1.063 208 Q CA 1.199 57.005 55.803 0.004 0.000 0.952 208 Q CB 0.809 29.546 28.738 -0.003 0.000 1.166 208 Q HN 1.883 nan 8.270 nan 0.000 0.381 209 G N 2.165 110.978 108.800 0.022 0.000 2.213 209 G HA2 -0.280 3.680 3.960 0.000 0.000 0.226 209 G HA3 -0.280 3.680 3.960 0.000 0.000 0.226 209 G C 0.235 175.161 174.900 0.042 0.000 0.992 209 G CA 0.326 45.449 45.100 0.039 0.000 0.632 209 G HN 1.160 nan 8.290 nan 0.000 0.511 210 T N -2.814 111.758 114.554 0.030 0.000 2.905 210 T HA 0.613 4.963 4.350 0.000 0.000 0.283 210 T C 0.683 175.399 174.700 0.026 0.000 1.031 210 T CA 0.430 62.546 62.100 0.026 0.000 1.002 210 T CB 1.700 70.579 68.868 0.018 0.000 1.200 210 T HN -0.170 nan 8.240 nan 0.000 0.560 211 D N -0.020 120.394 120.400 0.023 0.000 2.310 211 D HA 0.023 4.664 4.640 0.000 0.000 0.212 211 D C 0.880 177.198 176.300 0.030 0.000 0.965 211 D CA 0.972 54.986 54.000 0.024 0.000 0.879 211 D CB 0.040 40.853 40.800 0.021 0.000 0.921 211 D HN 0.577 nan 8.370 nan 0.000 0.510 212 R N 0.702 121.219 120.500 0.029 0.000 2.473 212 R HA 0.435 4.775 4.340 0.000 0.000 0.303 212 R C -1.393 174.919 176.300 0.021 0.000 1.002 212 R CA -0.360 55.761 56.100 0.034 0.000 0.884 212 R CB 0.568 30.890 30.300 0.036 0.000 1.173 212 R HN -0.202 nan 8.270 nan 0.000 0.464 213 I N 3.739 124.322 120.570 0.022 0.000 2.354 213 I HA 0.322 4.493 4.170 0.000 0.000 0.292 213 I C -0.326 175.791 176.117 0.001 0.000 0.989 213 I CA -0.785 60.520 61.300 0.008 0.000 1.188 213 I CB 2.336 40.340 38.000 0.007 0.000 1.342 213 I HN 0.622 nan 8.210 nan 0.000 0.457 214 T N 7.157 121.704 114.554 -0.012 0.000 2.770 214 T HA 0.631 4.982 4.350 0.000 0.000 0.283 214 T C -0.382 174.302 174.700 -0.027 0.000 0.988 214 T CA -0.311 61.774 62.100 -0.025 0.000 0.957 214 T CB 0.988 69.836 68.868 -0.035 0.000 0.930 214 T HN 0.172 nan 8.240 nan 0.000 0.443 215 I N 2.492 123.045 120.570 -0.028 0.000 2.465 215 I HA 0.368 4.538 4.170 0.000 0.000 0.291 215 I C 0.165 176.261 176.117 -0.035 0.000 1.014 215 I CA -0.581 60.700 61.300 -0.032 0.000 1.093 215 I CB 1.963 39.945 38.000 -0.030 0.000 1.267 215 I HN 0.538 nan 8.210 nan 0.000 0.431 216 E N 4.705 124.883 120.200 -0.037 0.000 2.102 216 E HA 0.510 4.860 4.350 0.000 0.000 0.263 216 E C 0.126 176.702 176.600 -0.039 0.000 0.894 216 E CA -0.633 55.744 56.400 -0.037 0.000 0.746 216 E CB 1.136 30.814 29.700 -0.036 0.000 1.129 216 E HN 0.850 nan 8.360 nan 0.000 0.416 217 G N 2.354 111.131 108.800 -0.038 0.000 2.562 217 G HA2 0.255 4.215 3.960 0.000 0.000 0.233 217 G HA3 0.255 4.215 3.960 0.000 0.000 0.233 217 G C 0.081 174.955 174.900 -0.043 0.000 1.266 217 G CA 0.147 45.222 45.100 -0.041 0.000 0.852 217 G HN 0.437 nan 8.290 nan 0.000 0.581 218 V N -1.134 118.751 119.914 -0.048 0.000 3.141 218 V HA 0.557 4.677 4.120 0.000 0.000 0.312 218 V C 0.839 176.902 176.094 -0.052 0.000 1.157 218 V CA -0.768 61.503 62.300 -0.048 0.000 1.041 218 V CB 1.901 33.693 31.823 -0.052 0.000 1.071 218 V HN 0.782 nan 8.190 nan 0.000 0.441 219 E N 1.087 121.258 120.200 -0.049 0.000 2.077 219 E HA -0.037 4.313 4.350 0.000 0.000 0.193 219 E C 0.434 176.997 176.600 -0.063 0.000 0.989 219 E CA 1.749 58.118 56.400 -0.052 0.000 0.800 219 E CB 0.123 29.797 29.700 -0.043 0.000 0.746 219 E HN 0.771 nan 8.360 nan 0.000 0.452 220 R N -0.812 119.651 120.500 -0.062 0.000 2.734 220 R HA 0.533 4.873 4.340 0.000 0.000 0.271 220 R C -1.378 174.880 176.300 -0.069 0.000 1.021 220 R CA -0.748 55.310 56.100 -0.070 0.000 0.893 220 R CB 0.935 31.198 30.300 -0.062 0.000 1.244 220 R HN -0.153 nan 8.270 nan 0.000 0.464 221 L N 1.110 122.288 121.223 -0.074 0.000 2.334 221 L HA 0.596 4.936 4.340 0.000 0.000 0.276 221 L C 0.643 177.474 176.870 -0.065 0.000 1.014 221 L CA -0.646 54.143 54.840 -0.085 0.000 0.815 221 L CB 2.019 44.014 42.059 -0.108 0.000 1.268 221 L HN 1.008 nan 8.230 nan 0.000 0.428 222 G N 1.269 110.029 108.800 -0.067 0.000 3.287 222 G HA2 0.608 4.568 3.960 0.000 0.000 0.172 222 G HA3 0.608 4.568 3.960 0.000 0.000 0.172 222 G C 0.062 174.942 174.900 -0.032 0.000 1.922 222 G CA 0.434 45.510 45.100 -0.040 0.000 0.952 222 G HN 0.763 nan 8.290 nan 0.000 0.520 223 G N -3.112 105.675 108.800 -0.021 0.000 2.911 223 G HA2 0.704 4.665 3.960 0.000 0.000 0.299 223 G HA3 0.704 4.665 3.960 0.000 0.000 0.299 223 G C -0.379 174.528 174.900 0.012 0.000 1.283 223 G CA 0.164 45.270 45.100 0.008 0.000 0.805 223 G HN 1.826 nan 8.290 nan 0.000 0.548 224 G N -2.598 106.241 108.800 0.065 0.000 2.352 224 G HA2 0.509 4.469 3.960 0.000 0.000 0.283 224 G HA3 0.509 4.469 3.960 0.000 0.000 0.283 224 G C -2.013 172.966 174.900 0.132 0.000 1.308 224 G CA 0.199 45.347 45.100 0.082 0.000 0.892 224 G HN 1.440 nan 8.290 nan 0.000 0.504 225 V N 0.464 120.461 119.914 0.138 0.000 2.531 225 V HA 0.719 4.839 4.120 0.000 0.000 0.301 225 V C -1.301 174.912 176.094 0.199 0.000 1.034 225 V CA -0.569 61.810 62.300 0.132 0.000 0.865 225 V CB 1.536 33.403 31.823 0.073 0.000 0.995 225 V HN 0.941 nan 8.190 nan 0.000 0.424 226 Y N 4.236 124.576 120.300 0.066 0.000 2.421 226 Y HA 0.588 5.138 4.550 0.000 0.000 0.339 226 Y C -0.197 175.685 175.900 -0.030 0.000 0.996 226 Y CA -0.812 57.332 58.100 0.072 0.000 1.046 226 Y CB 1.673 40.285 38.460 0.253 0.000 1.226 226 Y HN 0.621 nan 8.280 nan 0.000 0.445 227 R N 5.446 125.607 120.500 -0.564 0.000 2.229 227 R HA 0.568 4.909 4.340 0.000 0.000 0.328 227 R C -1.335 174.756 176.300 -0.349 0.000 1.009 227 R CA -0.506 55.379 56.100 -0.359 0.000 0.864 227 R CB 0.781 30.907 30.300 -0.289 0.000 1.085 227 R HN 0.617 nan 8.270 nan 0.000 0.453 228 V N 6.422 126.268 119.914 -0.113 0.000 2.763 228 V HA -0.002 4.118 4.120 0.000 0.000 0.306 228 V C 0.993 177.059 176.094 -0.047 0.000 1.059 228 V CA -0.131 62.160 62.300 -0.016 0.000 1.138 228 V CB 0.623 32.426 31.823 -0.032 0.000 0.940 228 V HN 0.689 nan 8.190 nan 0.000 0.489 229 L N 4.733 125.953 121.223 -0.005 0.000 2.472 229 L HA 0.539 4.879 4.340 0.000 0.000 0.260 229 L C -2.389 174.469 176.870 -0.020 0.000 1.209 229 L CA -1.654 53.174 54.840 -0.019 0.000 0.817 229 L CB -0.012 42.047 42.059 0.000 0.000 1.106 229 L HN 0.351 nan 8.230 nan 0.000 0.479 230 P HA -0.021 nan 4.420 nan 0.000 0.267 230 P C -1.130 176.167 177.300 -0.005 0.000 1.200 230 P CA 0.048 63.145 63.100 -0.004 0.000 0.772 230 P CB 0.331 32.035 31.700 0.006 0.000 0.855 231 D N 2.868 123.268 120.400 0.000 0.000 2.344 231 D HA -0.007 4.633 4.640 0.000 0.000 0.253 231 D C 1.320 177.622 176.300 0.004 0.000 1.255 231 D CA -0.088 53.905 54.000 -0.012 0.000 0.894 231 D CB 0.527 41.311 40.800 -0.027 0.000 1.067 231 D HN 0.344 nan 8.370 nan 0.000 0.492 232 R N 3.730 124.224 120.500 -0.010 0.000 2.148 232 R HA -0.108 4.232 4.340 0.000 0.000 0.227 232 R C 1.394 177.699 176.300 0.008 0.000 1.103 232 R CA 0.552 56.654 56.100 0.002 0.000 0.983 232 R CB -0.101 30.187 30.300 -0.020 0.000 0.874 232 R HN 0.341 nan 8.270 nan 0.000 0.451 233 I N 1.709 122.268 120.570 -0.018 0.000 2.439 233 I HA -0.111 4.059 4.170 0.000 0.000 0.251 233 I C 2.458 178.585 176.117 0.018 0.000 1.139 233 I CA 1.131 62.422 61.300 -0.016 0.000 1.438 233 I CB -1.094 36.873 38.000 -0.055 0.000 1.085 233 I HN 0.365 nan 8.210 nan 0.000 0.427 234 E N 0.932 121.134 120.200 0.003 0.000 2.072 234 E HA -0.178 4.172 4.350 0.000 0.000 0.191 234 E C 2.023 178.770 176.600 0.245 0.000 0.985 234 E CA 1.813 58.279 56.400 0.111 0.000 0.801 234 E CB 0.204 29.982 29.700 0.131 0.000 0.750 234 E HN 0.375 nan 8.360 nan 0.000 0.452 235 T N -0.161 114.511 114.554 0.196 0.000 2.652 235 T HA -0.145 4.205 4.350 0.000 0.000 0.267 235 T C 1.758 176.574 174.700 0.193 0.000 1.039 235 T CA 1.330 63.559 62.100 0.217 0.000 1.153 235 T CB -0.697 68.249 68.868 0.131 0.000 0.863 235 T HN 0.397 nan 8.240 nan 0.000 0.428 236 G N 0.883 109.762 108.800 0.131 0.000 2.432 236 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 236 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 236 G C 1.705 176.674 174.900 0.114 0.000 1.135 236 G CA 1.427 46.607 45.100 0.134 0.000 0.767 236 G HN 0.458 nan 8.290 nan 0.000 0.550 237 T N 0.833 115.428 114.554 0.069 0.000 2.708 237 T HA -0.067 4.283 4.350 0.000 0.000 0.266 237 T C 2.035 176.645 174.700 -0.150 0.000 1.037 237 T CA 1.017 63.082 62.100 -0.058 0.000 1.146 237 T CB -0.337 68.479 68.868 -0.087 0.000 0.865 237 T HN 0.295 nan 8.240 nan 0.000 0.435 238 F N 0.771 120.774 119.950 0.088 0.000 2.259 238 F HA 0.125 4.653 4.527 0.000 0.000 0.298 238 F C 2.090 177.910 175.800 0.033 0.000 1.088 238 F CA 0.512 58.544 58.000 0.053 0.000 1.358 238 F CB -0.405 38.633 39.000 0.064 0.000 1.040 238 F HN 0.064 nan 8.300 nan 0.000 0.505 239 L N -0.863 120.481 121.223 0.201 0.000 2.093 239 L HA -0.190 4.151 4.340 0.000 0.000 0.208 239 L C 2.297 179.195 176.870 0.047 0.000 1.085 239 L CA 0.638 55.554 54.840 0.127 0.000 0.755 239 L CB -0.661 41.475 42.059 0.129 0.000 0.904 239 L HN -0.027 nan 8.230 nan 0.000 0.435 240 V N -0.079 119.831 119.914 -0.006 0.000 2.515 240 V HA -0.233 3.888 4.120 0.000 0.000 0.250 240 V C 2.718 178.764 176.094 -0.080 0.000 1.058 240 V CA 1.529 63.757 62.300 -0.121 0.000 1.064 240 V CB -0.603 31.099 31.823 -0.202 0.000 0.675 240 V HN 0.460 nan 8.190 nan 0.000 0.461 241 A N 0.152 122.955 122.820 -0.030 0.000 1.908 241 A HA -0.194 4.126 4.320 0.000 0.000 0.218 241 A C 2.412 180.003 177.584 0.011 0.000 1.181 241 A CA 2.346 54.380 52.037 -0.006 0.000 0.627 241 A CB -0.738 18.301 19.000 0.064 0.000 0.818 241 A HN 0.570 nan 8.150 nan 0.000 0.445 242 A N -0.393 122.447 122.820 0.034 0.000 1.872 242 A HA 0.257 4.578 4.320 0.000 0.000 0.214 242 A C 2.517 180.094 177.584 -0.012 0.000 1.187 242 A CA 1.860 53.907 52.037 0.017 0.000 0.614 242 A CB -1.083 17.934 19.000 0.029 0.000 0.826 242 A HN 1.125 nan 8.150 nan 0.000 0.442 243 A N 0.602 123.408 122.820 -0.025 0.000 1.978 243 A HA -0.127 4.194 4.320 0.000 0.000 0.220 243 A C 2.008 179.563 177.584 -0.048 0.000 1.170 243 A CA 1.641 53.653 52.037 -0.041 0.000 0.636 243 A CB -0.824 18.134 19.000 -0.069 0.000 0.810 243 A HN 1.031 nan 8.150 nan 0.000 0.448 244 I N -2.965 117.570 120.570 -0.058 0.000 3.728 244 I HA 0.130 4.300 4.170 0.000 0.000 0.307 244 I C 1.262 177.361 176.117 -0.029 0.000 1.276 244 I CA 1.062 62.331 61.300 -0.051 0.000 1.285 244 I CB 0.259 38.219 38.000 -0.067 0.000 1.038 244 I HN 0.232 nan 8.210 nan 0.000 0.445 245 S N -0.144 115.543 115.700 -0.021 0.000 2.663 245 S HA 0.447 4.917 4.470 0.000 0.000 0.243 245 S C 1.459 176.055 174.600 -0.008 0.000 1.009 245 S CA 0.129 58.322 58.200 -0.012 0.000 0.988 245 S CB 0.211 63.406 63.200 -0.008 0.000 0.896 245 S HN 0.707 nan 8.310 nan 0.000 0.502 246 G N 0.586 109.381 108.800 -0.009 0.000 2.180 246 G HA2 -0.194 3.766 3.960 0.000 0.000 0.263 246 G HA3 -0.194 3.766 3.960 0.000 0.000 0.263 246 G C 0.595 175.487 174.900 -0.013 0.000 0.989 246 G CA 0.209 45.306 45.100 -0.004 0.000 0.692 246 G HN 1.114 nan 8.290 nan 0.000 0.526 247 G N -0.922 107.867 108.800 -0.017 0.000 2.525 247 G HA2 0.602 4.562 3.960 0.000 0.000 0.287 247 G HA3 0.602 4.562 3.960 0.000 0.000 0.287 247 G C -0.158 174.716 174.900 -0.044 0.000 1.350 247 G CA 0.061 45.148 45.100 -0.022 0.000 1.039 247 G HN 0.642 nan 8.290 nan 0.000 0.513 248 K N -1.052 119.325 120.400 -0.039 0.000 2.427 248 K HA 0.664 4.984 4.320 0.000 0.000 0.252 248 K C -1.664 174.924 176.600 -0.019 0.000 0.931 248 K CA -0.742 55.515 56.287 -0.050 0.000 0.793 248 K CB 2.069 34.528 32.500 -0.069 0.000 1.211 248 K HN 0.439 nan 8.250 nan 0.000 0.426 249 I N 2.962 123.531 120.570 -0.001 0.000 2.913 249 I HA 0.426 4.596 4.170 0.000 0.000 0.302 249 I C -1.792 174.344 176.117 0.033 0.000 1.246 249 I CA -0.988 60.319 61.300 0.012 0.000 1.010 249 I CB 2.391 40.414 38.000 0.038 0.000 1.259 249 I HN 0.414 nan 8.210 nan 0.000 0.434 250 V N 5.323 125.247 119.914 0.017 0.000 2.483 250 V HA 0.354 4.474 4.120 0.000 0.000 0.297 250 V C -0.686 175.437 176.094 0.048 0.000 1.027 250 V CA -0.569 61.761 62.300 0.050 0.000 0.855 250 V CB 1.414 33.218 31.823 -0.032 0.000 0.995 250 V HN 0.773 nan 8.190 nan 0.000 0.424 251 C N 6.192 125.562 119.300 0.118 0.000 2.285 251 C HA 0.611 5.071 4.460 0.000 0.000 0.335 251 C C 0.565 175.635 174.990 0.133 0.000 1.267 251 C CA -1.040 58.032 59.018 0.089 0.000 1.762 251 C CB -0.018 27.793 27.740 0.118 0.000 2.365 251 C HN 0.736 nan 8.230 nan 0.000 0.527 252 R N 2.432 122.975 120.500 0.072 0.000 2.573 252 R HA 0.280 4.620 4.340 0.000 0.000 0.272 252 R C 0.279 176.624 176.300 0.074 0.000 1.009 252 R CA -0.378 55.778 56.100 0.093 0.000 1.059 252 R CB 0.277 30.596 30.300 0.032 0.000 1.112 252 R HN 0.783 nan 8.270 nan 0.000 0.517 253 N N -1.273 117.477 118.700 0.084 0.000 2.754 253 N HA -0.187 4.553 4.740 0.000 0.000 0.248 253 N C -1.133 174.406 175.510 0.048 0.000 1.093 253 N CA 1.162 54.242 53.050 0.051 0.000 0.699 253 N CB -0.928 37.575 38.487 0.027 0.000 1.016 253 N HN 0.749 nan 8.380 nan 0.000 0.552 254 A N -0.195 122.664 122.820 0.065 0.000 2.269 254 A HA 0.718 5.038 4.320 0.000 0.000 0.327 254 A C 0.179 177.769 177.584 0.010 0.000 1.112 254 A CA -0.395 51.669 52.037 0.046 0.000 0.865 254 A CB 1.155 20.195 19.000 0.067 0.000 1.227 254 A HN 0.214 nan 8.150 nan 0.000 0.498 255 Q N 0.647 120.446 119.800 -0.002 0.000 2.771 255 Q HA 0.306 4.646 4.340 0.000 0.000 0.247 255 Q C -2.254 173.732 176.000 -0.024 0.000 0.986 255 Q CA -1.798 53.993 55.803 -0.021 0.000 0.713 255 Q CB 1.218 29.948 28.738 -0.014 0.000 1.241 255 Q HN 0.442 nan 8.270 nan 0.000 0.488 256 P HA -0.250 nan 4.420 nan 0.000 0.217 256 P C 0.660 177.945 177.300 -0.026 0.000 1.158 256 P CA 1.839 64.905 63.100 -0.057 0.000 0.887 256 P CB 0.181 31.805 31.700 -0.126 0.000 0.792 257 D N -1.318 119.068 120.400 -0.022 0.000 2.351 257 D HA -0.132 4.509 4.640 0.000 0.000 0.216 257 D C 1.213 177.541 176.300 0.048 0.000 0.968 257 D CA 1.637 55.640 54.000 0.005 0.000 0.899 257 D CB -1.587 39.215 40.800 0.003 0.000 0.907 257 D HN 0.259 nan 8.370 nan 0.000 0.514 258 T N -2.646 111.935 114.554 0.045 0.000 3.107 258 T HA 0.197 4.547 4.350 0.000 0.000 0.249 258 T C 1.258 176.022 174.700 0.108 0.000 1.096 258 T CA -0.226 61.923 62.100 0.082 0.000 1.012 258 T CB -0.297 68.573 68.868 0.003 0.000 0.977 258 T HN 0.207 nan 8.240 nan 0.000 0.527 259 L N 0.601 121.861 121.223 0.061 0.000 3.289 259 L HA 0.366 4.706 4.340 0.000 0.000 0.291 259 L C 0.859 177.744 176.870 0.025 0.000 1.279 259 L CA -0.323 54.540 54.840 0.038 0.000 1.025 259 L CB 0.507 42.585 42.059 0.033 0.000 1.413 259 L HN -0.011 nan 8.230 nan 0.000 0.593 260 D N 1.589 122.000 120.400 0.019 0.000 2.106 260 D HA -0.235 4.405 4.640 0.000 0.000 0.191 260 D C 2.150 178.456 176.300 0.010 0.000 0.997 260 D CA 1.821 55.824 54.000 0.005 0.000 0.834 260 D CB 0.198 40.989 40.800 -0.015 0.000 0.956 260 D HN 0.403 nan 8.370 nan 0.000 0.448 261 A N 0.747 123.562 122.820 -0.009 0.000 1.883 261 A HA -0.165 4.156 4.320 0.000 0.000 0.217 261 A C 2.634 180.251 177.584 0.055 0.000 1.186 261 A CA 1.668 53.716 52.037 0.018 0.000 0.624 261 A CB -0.891 18.109 19.000 0.000 0.000 0.822 261 A HN 0.160 nan 8.150 nan 0.000 0.444 262 V N 0.237 120.145 119.914 -0.010 0.000 2.295 262 V HA -0.261 3.860 4.120 0.000 0.000 0.246 262 V C 2.574 178.774 176.094 0.177 0.000 1.049 262 V CA 1.985 64.312 62.300 0.044 0.000 1.024 262 V CB -0.767 31.056 31.823 0.001 0.000 0.648 262 V HN 0.567 nan 8.190 nan 0.000 0.447 263 L N -0.038 121.255 121.223 0.116 0.000 2.083 263 L HA -0.143 4.197 4.340 0.000 0.000 0.209 263 L C 2.718 179.660 176.870 0.119 0.000 1.083 263 L CA 1.466 56.378 54.840 0.119 0.000 0.752 263 L CB -0.842 41.258 42.059 0.069 0.000 0.899 263 L HN 0.377 nan 8.230 nan 0.000 0.433 264 A N -0.046 122.832 122.820 0.097 0.000 1.898 264 A HA -0.213 4.107 4.320 0.000 0.000 0.216 264 A C 2.292 179.946 177.584 0.115 0.000 1.181 264 A CA 1.632 53.720 52.037 0.085 0.000 0.620 264 A CB -0.299 18.735 19.000 0.057 0.000 0.819 264 A HN 0.147 nan 8.150 nan 0.000 0.442 265 K N -0.175 120.318 120.400 0.156 0.000 2.097 265 K HA 0.115 4.435 4.320 0.000 0.000 0.205 265 K C 1.743 178.529 176.600 0.309 0.000 1.050 265 K CA 0.901 57.309 56.287 0.202 0.000 0.938 265 K CB -0.470 32.121 32.500 0.153 0.000 0.718 265 K HN 0.506 nan 8.250 nan 0.000 0.442 266 L N 0.005 121.431 121.223 0.340 0.000 2.093 266 L HA -0.144 4.196 4.340 0.000 0.000 0.208 266 L C 2.305 179.270 176.870 0.158 0.000 1.085 266 L CA 1.179 56.177 54.840 0.263 0.000 0.755 266 L CB -0.252 41.942 42.059 0.225 0.000 0.904 266 L HN 0.146 nan 8.230 nan 0.000 0.435 267 R N 0.003 120.584 120.500 0.135 0.000 2.092 267 R HA -0.162 4.178 4.340 0.000 0.000 0.231 267 R C 2.079 178.434 176.300 0.092 0.000 1.119 267 R CA 1.212 57.372 56.100 0.100 0.000 0.970 267 R CB -0.237 30.112 30.300 0.083 0.000 0.864 267 R HN 0.433 nan 8.270 nan 0.000 0.440 268 E N 0.297 120.556 120.200 0.099 0.000 2.204 268 E HA -0.138 4.212 4.350 0.000 0.000 0.195 268 E C 1.621 178.272 176.600 0.084 0.000 0.990 268 E CA 0.999 57.449 56.400 0.082 0.000 0.821 268 E CB 0.045 29.793 29.700 0.079 0.000 0.750 268 E HN 0.336 nan 8.360 nan 0.000 0.477 269 A N -0.282 122.601 122.820 0.106 0.000 2.208 269 A HA 0.221 4.542 4.320 0.000 0.000 0.209 269 A C 1.643 179.265 177.584 0.065 0.000 1.161 269 A CA 0.920 53.008 52.037 0.085 0.000 0.782 269 A CB 0.035 19.090 19.000 0.092 0.000 0.816 269 A HN 0.338 nan 8.150 nan 0.000 0.477 270 G N -2.391 106.452 108.800 0.071 0.000 2.168 270 G HA2 0.181 4.142 3.960 0.000 0.000 0.197 270 G HA3 0.181 4.142 3.960 0.000 0.000 0.197 270 G C 0.327 175.274 174.900 0.079 0.000 0.997 270 G CA 0.072 45.214 45.100 0.070 0.000 0.658 270 G HN 1.440 nan 8.290 nan 0.000 0.513 271 A N 0.126 122.991 122.820 0.075 0.000 2.371 271 A HA 0.577 4.898 4.320 0.000 0.000 0.257 271 A C 0.103 177.738 177.584 0.085 0.000 1.089 271 A CA 0.545 52.622 52.037 0.067 0.000 0.794 271 A CB 0.606 19.641 19.000 0.058 0.000 1.029 271 A HN 0.531 nan 8.150 nan 0.000 0.488 272 D N 1.935 122.383 120.400 0.080 0.000 2.428 272 D HA 0.452 5.092 4.640 0.000 0.000 0.221 272 D C -0.624 175.727 176.300 0.085 0.000 1.123 272 D CA 0.063 54.133 54.000 0.116 0.000 0.869 272 D CB -0.038 40.896 40.800 0.222 0.000 1.032 272 D HN 0.347 nan 8.370 nan 0.000 0.506 273 I N 3.046 123.670 120.570 0.091 0.000 2.404 273 I HA 0.359 4.529 4.170 0.000 0.000 0.293 273 I C 0.130 176.303 176.117 0.094 0.000 0.992 273 I CA -0.772 60.582 61.300 0.091 0.000 1.149 273 I CB 1.702 39.749 38.000 0.079 0.000 1.315 273 I HN 0.269 nan 8.210 nan 0.000 0.446 274 E N 3.786 124.063 120.200 0.128 0.000 2.293 274 E HA 0.564 4.914 4.350 0.000 0.000 0.270 274 E C -0.999 175.605 176.600 0.007 0.000 0.879 274 E CA -0.849 55.629 56.400 0.130 0.000 0.756 274 E CB 2.569 32.431 29.700 0.269 0.000 1.208 274 E HN 0.649 nan 8.360 nan 0.000 0.428 275 T N -1.170 113.219 114.554 -0.274 0.000 2.916 275 T HA 0.816 5.166 4.350 0.000 0.000 0.292 275 T C 0.162 174.130 174.700 -1.221 0.000 1.055 275 T CA -0.737 60.930 62.100 -0.722 0.000 1.009 275 T CB 1.938 70.575 68.868 -0.385 0.000 1.118 275 T HN 0.515 nan 8.240 nan 0.000 0.497 276 G N -0.023 107.667 108.800 -1.851 0.000 3.251 276 G HA2 0.493 4.453 3.960 0.000 0.000 0.248 276 G HA3 0.493 4.453 3.960 0.000 0.000 0.248 276 G C 0.272 174.752 174.900 -0.700 0.000 1.320 276 G CA -0.473 43.782 45.100 -1.408 0.000 0.982 276 G HN 0.710 nan 8.290 nan 0.000 0.575 277 E N -0.325 119.678 120.200 -0.329 0.000 2.077 277 E HA -0.088 4.262 4.350 0.000 0.000 0.193 277 E C 0.934 177.454 176.600 -0.133 0.000 0.989 277 E CA 2.062 58.374 56.400 -0.147 0.000 0.800 277 E CB 0.150 29.839 29.700 -0.018 0.000 0.746 277 E HN 0.470 nan 8.360 nan 0.000 0.452 278 D N -1.194 119.153 120.400 -0.089 0.000 2.760 278 D HA 0.071 4.711 4.640 0.000 0.000 0.314 278 D C -0.484 175.884 176.300 0.113 0.000 1.464 278 D CA -0.565 53.440 54.000 0.009 0.000 0.797 278 D CB -0.873 39.972 40.800 0.075 0.000 1.149 278 D HN 0.309 nan 8.370 nan 0.000 0.455 279 W N -0.095 121.210 121.300 0.007 0.000 3.137 279 W HA 0.680 5.340 4.660 0.000 0.000 0.324 279 W C -2.086 174.442 176.519 0.016 0.000 1.253 279 W CA -1.292 56.057 57.345 0.008 0.000 1.183 279 W CB 0.499 29.960 29.460 0.002 0.000 1.424 279 W HN -0.294 nan 8.180 nan 0.000 0.566 280 I N 2.935 123.711 120.570 0.344 0.000 2.619 280 I HA 0.342 4.512 4.170 0.000 0.000 0.292 280 I C -0.218 176.132 176.117 0.388 0.000 1.100 280 I CA -0.742 60.690 61.300 0.220 0.000 1.043 280 I CB 2.602 40.657 38.000 0.093 0.000 1.239 280 I HN 0.458 nan 8.210 nan 0.000 0.420 281 S N 6.828 122.764 115.700 0.392 0.000 2.513 281 S HA 0.831 5.302 4.470 0.000 0.000 0.299 281 S C -1.062 173.634 174.600 0.161 0.000 1.087 281 S CA -0.732 57.632 58.200 0.273 0.000 1.012 281 S CB 2.257 65.635 63.200 0.296 0.000 1.044 281 S HN 0.644 nan 8.310 nan 0.000 0.485 282 L N 2.275 123.553 121.223 0.092 0.000 2.410 282 L HA 0.668 5.008 4.340 0.000 0.000 0.270 282 L C -1.908 174.948 176.870 -0.023 0.000 0.983 282 L CA -0.305 54.564 54.840 0.047 0.000 0.822 282 L CB 1.869 43.963 42.059 0.057 0.000 1.285 282 L HN 0.830 nan 8.230 nan 0.000 0.409 283 D N 4.889 125.229 120.400 -0.099 0.000 2.593 283 D HA 0.284 4.924 4.640 0.000 0.000 0.251 283 D C 0.257 176.353 176.300 -0.341 0.000 1.140 283 D CA -0.428 53.402 54.000 -0.283 0.000 0.855 283 D CB 1.918 42.426 40.800 -0.487 0.000 1.267 283 D HN 0.487 nan 8.370 nan 0.000 0.532 284 M N 1.615 121.080 119.600 -0.225 0.000 2.509 284 M HA 0.023 4.503 4.480 0.000 0.000 0.250 284 M C 0.147 176.435 176.300 -0.020 0.000 1.132 284 M CA 0.293 55.539 55.300 -0.091 0.000 1.080 284 M CB -0.654 31.927 32.600 -0.031 0.000 1.408 284 M HN 0.492 nan 8.290 nan 0.000 0.484 285 H N 0.028 119.111 119.070 0.021 0.000 2.770 285 H HA -0.157 4.400 4.556 0.000 0.000 0.309 285 H C 1.302 176.638 175.328 0.014 0.000 1.206 285 H CA 0.909 56.968 56.048 0.017 0.000 1.147 285 H CB -2.223 27.550 29.762 0.019 0.000 1.422 285 H HN 0.635 nan 8.280 nan 0.000 0.420 286 G N -0.313 108.528 108.800 0.068 0.000 2.175 286 G HA2 -0.367 3.594 3.960 0.000 0.000 0.265 286 G HA3 -0.367 3.594 3.960 0.000 0.000 0.265 286 G C 0.456 175.384 174.900 0.047 0.000 0.979 286 G CA 0.963 46.091 45.100 0.048 0.000 0.663 286 G HN 0.553 nan 8.290 nan 0.000 0.533 287 K N -0.065 120.370 120.400 0.059 0.000 2.154 287 K HA 0.433 4.753 4.320 0.000 0.000 0.264 287 K C 0.805 177.423 176.600 0.030 0.000 1.008 287 K CA -0.661 55.656 56.287 0.050 0.000 0.937 287 K CB 0.889 33.430 32.500 0.068 0.000 1.002 287 K HN 0.301 nan 8.250 nan 0.000 0.469 288 R N 3.058 123.573 120.500 0.026 0.000 2.410 288 R HA 0.196 4.536 4.340 0.000 0.000 0.288 288 R C -2.211 174.101 176.300 0.019 0.000 1.051 288 R CA -1.489 54.621 56.100 0.017 0.000 1.021 288 R CB 0.573 30.883 30.300 0.018 0.000 1.032 288 R HN 0.394 nan 8.270 nan 0.000 0.481 289 P HA 0.080 nan 4.420 nan 0.000 0.272 289 P C -1.262 176.050 177.300 0.021 0.000 1.223 289 P CA -0.169 62.938 63.100 0.012 0.000 0.784 289 P CB 0.790 32.483 31.700 -0.011 0.000 0.923 290 K N 1.229 121.648 120.400 0.031 0.000 2.172 290 K HA 0.459 4.779 4.320 0.000 0.000 0.276 290 K C 0.322 176.945 176.600 0.037 0.000 1.013 290 K CA -0.569 55.738 56.287 0.034 0.000 0.913 290 K CB 1.202 33.725 32.500 0.039 0.000 1.055 290 K HN 0.557 nan 8.250 nan 0.000 0.461 291 A N 2.333 125.171 122.820 0.031 0.000 2.531 291 A HA 0.257 4.578 4.320 0.000 0.000 0.236 291 A C 0.371 177.977 177.584 0.037 0.000 1.062 291 A CA -0.221 51.834 52.037 0.029 0.000 0.760 291 A CB -0.056 18.954 19.000 0.017 0.000 0.995 291 A HN 0.549 nan 8.150 nan 0.000 0.501 292 V N -0.437 119.505 119.914 0.046 0.000 3.102 292 V HA 0.876 4.996 4.120 0.000 0.000 0.312 292 V C -0.105 175.987 176.094 -0.003 0.000 1.135 292 V CA -0.610 61.714 62.300 0.041 0.000 1.022 292 V CB 1.759 33.641 31.823 0.098 0.000 1.056 292 V HN 0.781 nan 8.190 nan 0.000 0.436 293 T N 1.844 116.377 114.554 -0.035 0.000 2.779 293 T HA 0.736 5.087 4.350 0.000 0.000 0.280 293 T C -0.594 174.017 174.700 -0.148 0.000 0.987 293 T CA -0.277 61.779 62.100 -0.073 0.000 0.966 293 T CB 1.337 70.174 68.868 -0.051 0.000 0.933 293 T HN 0.750 nan 8.240 nan 0.000 0.442 294 V N 3.556 123.340 119.914 -0.216 0.000 2.823 294 V HA 0.657 4.778 4.120 0.000 0.000 0.312 294 V C -0.239 175.696 176.094 -0.266 0.000 1.072 294 V CA -1.044 61.015 62.300 -0.401 0.000 0.937 294 V CB 2.263 33.603 31.823 -0.805 0.000 1.013 294 V HN 0.754 nan 8.190 nan 0.000 0.430 295 R N 2.190 122.549 120.500 -0.235 0.000 2.521 295 R HA 0.459 4.799 4.340 0.000 0.000 0.295 295 R C -0.096 176.195 176.300 -0.015 0.000 1.183 295 R CA -0.276 55.771 56.100 -0.088 0.000 0.957 295 R CB 1.404 31.674 30.300 -0.050 0.000 1.171 295 R HN 0.953 nan 8.270 nan 0.000 0.494 296 T N 0.945 115.529 114.554 0.050 0.000 2.900 296 T HA 0.634 4.984 4.350 0.000 0.000 0.307 296 T C 0.245 174.995 174.700 0.083 0.000 1.065 296 T CA -0.009 62.193 62.100 0.169 0.000 1.105 296 T CB 1.541 70.521 68.868 0.186 0.000 0.979 296 T HN 0.681 nan 8.240 nan 0.000 0.544 297 A N 2.676 125.545 122.820 0.082 0.000 2.515 297 A HA 0.711 5.031 4.320 0.000 0.000 0.292 297 A C -3.157 174.444 177.584 0.028 0.000 1.065 297 A CA -1.668 50.385 52.037 0.027 0.000 0.641 297 A CB 0.131 19.141 19.000 0.017 0.000 1.306 297 A HN 0.655 nan 8.150 nan 0.000 0.441 298 P HA 0.265 nan 4.420 nan 0.000 0.268 298 P C -0.325 177.008 177.300 0.056 0.000 1.208 298 P CA 0.350 63.470 63.100 0.032 0.000 0.777 298 P CB 0.159 31.868 31.700 0.015 0.000 0.875 299 H N 3.972 123.037 119.070 -0.008 0.000 3.016 299 H HA 0.004 4.560 4.556 0.000 0.000 0.345 299 H C -1.181 174.143 175.328 -0.006 0.000 1.066 299 H CA -0.591 55.450 56.048 -0.011 0.000 1.390 299 H CB 0.222 29.978 29.762 -0.010 0.000 1.344 299 H HN 0.325 nan 8.280 nan 0.000 0.605 300 P HA 0.115 nan 4.420 nan 0.000 0.255 300 P C -0.365 176.704 177.300 -0.386 0.000 1.301 300 P CA 0.228 62.726 63.100 -1.004 0.000 0.817 300 P CB -0.079 31.209 31.700 -0.686 0.000 1.259 301 A N 0.505 123.224 122.820 -0.169 0.000 2.262 301 A HA 0.233 4.553 4.320 0.000 0.000 0.273 301 A C -0.202 177.390 177.584 0.014 0.000 1.202 301 A CA -0.544 51.467 52.037 -0.043 0.000 0.811 301 A CB -0.571 18.430 19.000 0.002 0.000 1.159 301 A HN 0.176 nan 8.150 nan 0.000 0.505 302 F N 1.812 121.715 119.950 -0.078 0.000 2.571 302 F HA 0.269 4.797 4.527 0.000 0.000 0.384 302 F C -1.639 174.136 175.800 -0.042 0.000 1.058 302 F CA -1.504 56.441 58.000 -0.092 0.000 1.200 302 F CB 0.576 39.485 39.000 -0.151 0.000 1.077 302 F HN 0.254 nan 8.300 nan 0.000 0.558 303 P HA -0.022 nan 4.420 nan 0.000 0.276 303 P C 0.334 177.606 177.300 -0.048 0.000 1.235 303 P CA -0.048 62.953 63.100 -0.166 0.000 0.772 303 P CB 1.535 33.116 31.700 -0.199 0.000 0.871 304 T N 2.271 116.896 114.554 0.118 0.000 2.881 304 T HA -0.150 4.200 4.350 0.000 0.000 0.270 304 T C 1.692 176.497 174.700 0.175 0.000 1.068 304 T CA 1.638 63.865 62.100 0.211 0.000 1.131 304 T CB -0.568 68.449 68.868 0.248 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.460 123.338 122.820 0.097 0.000 2.216 305 A HA 0.188 4.508 4.320 0.000 0.000 0.214 305 A C 2.052 179.668 177.584 0.052 0.000 1.160 305 A CA 0.829 52.902 52.037 0.060 0.000 0.725 305 A CB -0.333 18.684 19.000 0.028 0.000 0.784 305 A HN 0.510 nan 8.150 nan 0.000 0.472 306 M N -1.324 118.302 119.600 0.042 0.000 2.308 306 M HA 0.077 4.558 4.480 0.000 0.000 0.269 306 M C 1.855 178.400 176.300 0.409 0.000 1.040 306 M CA 0.362 55.730 55.300 0.114 0.000 1.024 306 M CB -0.140 32.325 32.600 -0.225 0.000 1.465 306 M HN 0.603 nan 8.290 nan 0.000 0.517 307 Q N 1.077 121.132 119.800 0.425 0.000 2.061 307 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 307 Q C 1.760 177.941 176.000 0.303 0.000 0.984 307 Q CA 2.271 58.350 55.803 0.460 0.000 0.846 307 Q CB 0.022 28.989 28.738 0.382 0.000 0.902 307 Q HN 0.455 nan 8.270 nan 0.000 0.421 308 A N 0.657 123.516 122.820 0.065 0.000 1.883 308 A HA -0.269 4.051 4.320 0.000 0.000 0.217 308 A C 2.020 179.549 177.584 -0.092 0.000 1.186 308 A CA 1.939 53.757 52.037 -0.365 0.000 0.624 308 A CB -0.652 17.950 19.000 -0.664 0.000 0.822 308 A HN 0.503 nan 8.150 nan 0.000 0.444 309 Q N -1.180 118.644 119.800 0.040 0.000 2.096 309 Q HA -0.119 4.222 4.340 0.000 0.000 0.204 309 Q C 1.649 177.700 176.000 0.086 0.000 0.982 309 Q CA 1.782 57.616 55.803 0.051 0.000 0.850 309 Q CB -0.488 28.299 28.738 0.081 0.000 0.901 309 Q HN 0.693 nan 8.270 nan 0.000 0.422 310 F N -0.087 119.941 119.950 0.130 0.000 2.502 310 F HA -0.075 4.452 4.527 0.000 0.000 0.298 310 F C 2.076 177.917 175.800 0.069 0.000 1.111 310 F CA 1.014 59.089 58.000 0.126 0.000 1.445 310 F CB -0.169 38.946 39.000 0.193 0.000 1.081 310 F HN 0.020 nan 8.300 nan 0.000 0.558 311 T N 0.430 115.130 114.554 0.244 0.000 2.777 311 T HA -0.177 4.173 4.350 0.000 0.000 0.266 311 T C 2.027 176.786 174.700 0.099 0.000 1.040 311 T CA 1.232 63.440 62.100 0.181 0.000 1.141 311 T CB -0.479 68.596 68.868 0.345 0.000 0.868 311 T HN 0.146 nan 8.240 nan 0.000 0.444 312 L N 1.432 122.703 121.223 0.080 0.000 1.989 312 L HA 0.032 4.372 4.340 0.000 0.000 0.211 312 L C 2.238 179.096 176.870 -0.020 0.000 1.071 312 L CA 1.572 56.425 54.840 0.021 0.000 0.749 312 L CB -0.981 41.073 42.059 -0.009 0.000 0.890 312 L HN 0.263 nan 8.230 nan 0.000 0.431 313 L N -0.332 120.852 121.223 -0.066 0.000 2.013 313 L HA -0.301 4.039 4.340 0.000 0.000 0.212 313 L C 2.274 179.121 176.870 -0.039 0.000 1.073 313 L CA 1.981 56.758 54.840 -0.105 0.000 0.753 313 L CB -0.566 41.335 42.059 -0.263 0.000 0.890 313 L HN 0.421 nan 8.230 nan 0.000 0.432 314 N N -0.068 118.632 118.700 -0.000 0.000 2.166 314 N HA -0.151 4.589 4.740 0.000 0.000 0.186 314 N C 1.815 177.323 175.510 -0.003 0.000 1.019 314 N CA 1.375 54.430 53.050 0.007 0.000 0.856 314 N CB -0.379 38.114 38.487 0.010 0.000 0.993 314 N HN 0.375 nan 8.380 nan 0.000 0.426 315 L N 0.444 121.663 121.223 -0.005 0.000 2.353 315 L HA -0.051 4.289 4.340 0.000 0.000 0.220 315 L C 1.317 178.190 176.870 0.006 0.000 1.133 315 L CA 0.589 55.427 54.840 -0.004 0.000 0.798 315 L CB -0.061 41.990 42.059 -0.014 0.000 0.922 315 L HN 0.092 nan 8.230 nan 0.000 0.445 316 V N -4.871 115.043 119.914 0.000 0.000 3.159 316 V HA 0.547 4.667 4.120 0.000 0.000 0.333 316 V C 0.603 176.701 176.094 0.007 0.000 1.424 316 V CA -0.285 62.017 62.300 0.003 0.000 1.125 316 V CB -0.159 31.658 31.823 -0.010 0.000 1.075 316 V HN 0.089 nan 8.190 nan 0.000 0.482 317 A N 0.706 123.533 122.820 0.011 0.000 2.256 317 A HA 0.784 5.105 4.320 0.000 0.000 0.318 317 A C -0.078 177.522 177.584 0.026 0.000 1.103 317 A CA -0.495 51.551 52.037 0.014 0.000 0.860 317 A CB 1.143 20.150 19.000 0.012 0.000 1.182 317 A HN 0.481 nan 8.150 nan 0.000 0.501 318 E N 0.016 120.232 120.200 0.026 0.000 2.105 318 E HA 0.489 4.840 4.350 0.000 0.000 0.285 318 E C 0.379 176.998 176.600 0.032 0.000 1.055 318 E CA 1.166 57.584 56.400 0.030 0.000 0.843 318 E CB -0.149 29.566 29.700 0.026 0.000 1.067 318 E HN 1.649 nan 8.360 nan 0.000 0.398 319 G N 2.725 111.549 108.800 0.040 0.000 2.373 319 G HA2 -0.082 3.878 3.960 0.000 0.000 0.634 319 G HA3 -0.082 3.878 3.960 0.000 0.000 0.634 319 G C -0.782 174.148 174.900 0.050 0.000 1.267 319 G CA -0.495 44.630 45.100 0.042 0.000 1.008 319 G HN 0.489 nan 8.290 nan 0.000 0.497 320 T N 1.140 115.720 114.554 0.043 0.000 2.753 320 T HA 0.635 4.986 4.350 0.000 0.000 0.297 320 T C 0.656 175.338 174.700 -0.031 0.000 0.981 320 T CA 0.528 62.637 62.100 0.015 0.000 0.956 320 T CB 1.116 70.020 68.868 0.061 0.000 0.936 320 T HN 1.383 nan 8.240 nan 0.000 0.463 321 G N 1.811 110.571 108.800 -0.067 0.000 2.371 321 G HA2 0.607 4.567 3.960 0.000 0.000 0.326 321 G HA3 0.607 4.567 3.960 0.000 0.000 0.326 321 G C -0.981 173.863 174.900 -0.094 0.000 1.127 321 G CA -0.488 44.578 45.100 -0.056 0.000 0.885 321 G HN 0.627 nan 8.290 nan 0.000 0.477 322 V N 2.816 122.685 119.914 -0.074 0.000 2.487 322 V HA 0.453 4.573 4.120 0.000 0.000 0.298 322 V C -0.279 175.771 176.094 -0.073 0.000 1.028 322 V CA -0.546 61.705 62.300 -0.082 0.000 0.860 322 V CB 1.462 33.248 31.823 -0.061 0.000 0.991 322 V HN 0.625 nan 8.190 nan 0.000 0.427 323 I N 3.509 124.040 120.570 -0.066 0.000 2.389 323 I HA 0.463 4.633 4.170 0.000 0.000 0.288 323 I C -0.120 176.045 176.117 0.081 0.000 0.999 323 I CA -0.169 61.115 61.300 -0.026 0.000 1.129 323 I CB 2.210 40.215 38.000 0.009 0.000 1.288 323 I HN 0.500 nan 8.210 nan 0.000 0.444 324 T N 4.423 119.019 114.554 0.069 0.000 2.770 324 T HA 0.264 4.614 4.350 0.000 0.000 0.283 324 T C -0.437 174.332 174.700 0.115 0.000 0.988 324 T CA -0.442 61.731 62.100 0.122 0.000 0.957 324 T CB 1.321 70.217 68.868 0.046 0.000 0.930 324 T HN 0.439 nan 8.240 nan 0.000 0.443 325 E N 2.062 122.344 120.200 0.137 0.000 2.109 325 E HA 0.369 4.720 4.350 0.000 0.000 0.278 325 E C 0.882 177.464 176.600 -0.029 0.000 0.954 325 E CA -0.548 55.870 56.400 0.030 0.000 0.779 325 E CB 0.752 30.369 29.700 -0.137 0.000 1.093 325 E HN 0.640 nan 8.360 nan 0.000 0.401 326 T N 2.129 116.668 114.554 -0.024 0.000 3.044 326 T HA 0.189 4.539 4.350 0.000 0.000 0.260 326 T C 1.104 175.734 174.700 -0.116 0.000 1.019 326 T CA -0.151 61.914 62.100 -0.057 0.000 0.921 326 T CB -0.015 68.830 68.868 -0.039 0.000 1.053 326 T HN 0.397 nan 8.240 nan 0.000 0.533 327 I N -0.108 120.368 120.570 -0.157 0.000 2.729 327 I HA 0.393 4.563 4.170 0.000 0.000 0.256 327 I C 0.126 175.879 176.117 -0.607 0.000 1.115 327 I CA 0.054 61.120 61.300 -0.390 0.000 1.446 327 I CB -0.638 37.102 38.000 -0.434 0.000 1.176 327 I HN 0.204 nan 8.210 nan 0.000 0.446 328 F N 2.332 122.242 119.950 -0.067 0.000 2.482 328 F HA 0.243 4.770 4.527 0.000 0.000 0.331 328 F C 1.601 177.321 175.800 -0.134 0.000 1.115 328 F CA -0.799 57.151 58.000 -0.084 0.000 0.955 328 F CB 1.211 40.167 39.000 -0.074 0.000 1.136 328 F HN 0.013 nan 8.300 nan 0.000 0.452 329 E N 1.170 121.404 120.200 0.058 0.000 2.333 329 E HA -0.219 4.131 4.350 0.000 0.000 0.198 329 E C -0.118 176.440 176.600 -0.069 0.000 1.007 329 E CA 1.088 57.471 56.400 -0.027 0.000 0.845 329 E CB 0.024 29.720 29.700 -0.008 0.000 0.766 329 E HN 0.642 nan 8.360 nan 0.000 0.507 330 N N 0.288 118.958 118.700 -0.050 0.000 2.664 330 N HA 0.089 4.829 4.740 0.000 0.000 0.287 330 N C -0.741 174.719 175.510 -0.082 0.000 1.869 330 N CA -0.193 52.811 53.050 -0.076 0.000 0.832 330 N CB 0.540 39.013 38.487 -0.025 0.000 1.293 330 N HN -0.020 nan 8.380 nan 0.000 0.498 331 R N 1.043 121.433 120.500 -0.182 0.000 2.935 331 R HA 0.275 4.616 4.340 0.000 0.000 0.354 331 R C -0.501 175.872 176.300 0.122 0.000 1.206 331 R CA -0.150 55.917 56.100 -0.055 0.000 1.082 331 R CB -0.156 30.137 30.300 -0.011 0.000 1.431 331 R HN 0.258 nan 8.270 nan 0.000 0.582 332 F N -0.281 119.713 119.950 0.073 0.000 2.775 332 F HA 0.161 4.688 4.527 0.000 0.000 0.313 332 F C 1.289 176.962 175.800 -0.212 0.000 1.121 332 F CA -0.501 57.434 58.000 -0.108 0.000 1.206 332 F CB 0.696 39.635 39.000 -0.102 0.000 1.052 332 F HN 0.095 nan 8.300 nan 0.000 0.524 333 M N 0.202 119.888 119.600 0.143 0.000 2.358 333 M HA -0.189 4.292 4.480 0.000 0.000 0.264 333 M C 2.360 178.682 176.300 0.037 0.000 1.064 333 M CA 1.333 56.671 55.300 0.065 0.000 1.093 333 M CB -0.549 32.082 32.600 0.051 0.000 1.401 333 M HN 0.317 nan 8.290 nan 0.000 0.440 334 H N -1.237 117.858 119.070 0.041 0.000 2.470 334 H HA 0.062 4.618 4.556 0.000 0.000 0.289 334 H C 2.063 177.393 175.328 0.003 0.000 1.033 334 H CA 0.944 56.998 56.048 0.009 0.000 1.331 334 H CB -1.208 28.562 29.762 0.014 0.000 1.414 334 H HN 0.212 nan 8.280 nan 0.000 0.545 335 V N 2.544 122.172 119.914 -0.477 0.000 2.252 335 V HA -0.198 3.922 4.120 0.000 0.000 0.249 335 V C -0.249 175.761 176.094 -0.139 0.000 1.056 335 V CA 2.459 64.573 62.300 -0.311 0.000 1.022 335 V CB -1.425 30.171 31.823 -0.378 0.000 0.641 335 V HN 0.407 nan 8.190 nan 0.000 0.445 336 P HA -0.119 nan 4.420 nan 0.000 0.218 336 P C 1.554 178.830 177.300 -0.039 0.000 1.148 336 P CA 1.160 64.228 63.100 -0.054 0.000 0.822 336 P CB -0.014 31.666 31.700 -0.033 0.000 0.784 337 E N -0.462 119.721 120.200 -0.029 0.000 2.072 337 E HA -0.060 4.290 4.350 0.000 0.000 0.190 337 E C 2.122 178.710 176.600 -0.020 0.000 0.982 337 E CA 0.918 57.309 56.400 -0.014 0.000 0.803 337 E CB -0.934 28.768 29.700 0.003 0.000 0.755 337 E HN 0.315 nan 8.360 nan 0.000 0.453 338 L N 0.607 121.818 121.223 -0.020 0.000 2.141 338 L HA -0.099 4.242 4.340 0.000 0.000 0.209 338 L C 2.483 179.317 176.870 -0.061 0.000 1.094 338 L CA 0.627 55.451 54.840 -0.028 0.000 0.763 338 L CB -0.339 41.713 42.059 -0.012 0.000 0.908 338 L HN 0.076 nan 8.230 nan 0.000 0.437 339 I N -0.493 120.035 120.570 -0.070 0.000 2.361 339 I HA -0.279 3.891 4.170 0.000 0.000 0.251 339 I C 2.633 178.702 176.117 -0.080 0.000 1.133 339 I CA 1.113 62.358 61.300 -0.091 0.000 1.413 339 I CB -0.255 37.705 38.000 -0.067 0.000 1.073 339 I HN 0.215 nan 8.210 nan 0.000 0.424 340 R N 0.248 120.718 120.500 -0.051 0.000 2.152 340 R HA -0.067 4.273 4.340 0.000 0.000 0.232 340 R C 1.860 178.134 176.300 -0.043 0.000 1.117 340 R CA 1.111 57.188 56.100 -0.037 0.000 0.981 340 R CB -0.116 30.170 30.300 -0.022 0.000 0.870 340 R HN 0.352 nan 8.270 nan 0.000 0.451 341 M N -0.690 118.880 119.600 -0.050 0.000 2.568 341 M HA 0.140 4.620 4.480 0.000 0.000 0.226 341 M C 0.638 176.893 176.300 -0.074 0.000 1.148 341 M CA 0.452 55.723 55.300 -0.048 0.000 1.007 341 M CB 1.162 33.740 32.600 -0.036 0.000 1.651 341 M HN 0.421 nan 8.290 nan 0.000 0.488 342 G N 0.317 109.048 108.800 -0.115 0.000 2.176 342 G HA2 -0.184 3.776 3.960 0.000 0.000 0.232 342 G HA3 -0.184 3.776 3.960 0.000 0.000 0.232 342 G C 0.183 174.865 174.900 -0.363 0.000 0.986 342 G CA -0.043 44.943 45.100 -0.189 0.000 0.643 342 G HN 0.655 nan 8.290 nan 0.000 0.522 343 A N 0.373 123.025 122.820 -0.280 0.000 2.346 343 A HA 0.666 4.986 4.320 0.000 0.000 0.252 343 A C 0.104 177.434 177.584 -0.423 0.000 1.089 343 A CA -0.059 51.814 52.037 -0.273 0.000 0.797 343 A CB 0.322 19.249 19.000 -0.121 0.000 1.047 343 A HN 0.523 nan 8.150 nan 0.000 0.494 344 H N -0.159 118.927 119.070 0.028 0.000 2.727 344 H HA 0.672 5.228 4.556 0.000 0.000 0.330 344 H C -0.243 175.132 175.328 0.078 0.000 0.986 344 H CA 0.397 56.485 56.048 0.067 0.000 1.251 344 H CB 1.458 31.283 29.762 0.105 0.000 1.493 344 H HN 0.974 nan 8.280 nan 0.000 0.515 345 A N 2.828 125.739 122.820 0.152 0.000 2.608 345 A HA 0.585 4.905 4.320 0.000 0.000 0.292 345 A C -1.309 176.282 177.584 0.012 0.000 1.066 345 A CA -0.844 51.205 52.037 0.021 0.000 0.676 345 A CB 1.853 20.789 19.000 -0.107 0.000 1.277 345 A HN 0.540 nan 8.150 nan 0.000 0.413 346 E N 0.137 120.313 120.200 -0.041 0.000 2.266 346 E HA 0.660 5.010 4.350 0.000 0.000 0.268 346 E C -1.217 175.326 176.600 -0.096 0.000 0.879 346 E CA -0.260 56.123 56.400 -0.029 0.000 0.762 346 E CB 2.194 31.911 29.700 0.029 0.000 1.199 346 E HN 0.524 nan 8.360 nan 0.000 0.422 347 I N 2.354 122.879 120.570 -0.075 0.000 2.339 347 I HA 0.286 4.457 4.170 0.000 0.000 0.290 347 I C -0.390 175.733 176.117 0.011 0.000 0.994 347 I CA -0.606 60.652 61.300 -0.069 0.000 1.191 347 I CB 1.083 39.071 38.000 -0.020 0.000 1.343 347 I HN 0.240 nan 8.210 nan 0.000 0.458 348 E N 5.305 125.525 120.200 0.033 0.000 2.267 348 E HA 0.321 4.671 4.350 0.000 0.000 0.248 348 E C 0.015 176.665 176.600 0.084 0.000 0.899 348 E CA -0.096 56.332 56.400 0.047 0.000 0.764 348 E CB 1.729 31.445 29.700 0.027 0.000 1.227 348 E HN 0.741 nan 8.360 nan 0.000 0.421 349 S N 3.811 119.562 115.700 0.086 0.000 4.114 349 S HA -0.289 4.182 4.470 0.000 0.000 0.618 349 S C 0.677 175.365 174.600 0.147 0.000 1.937 349 S CA 1.783 60.034 58.200 0.085 0.000 4.228 349 S CB -1.031 62.203 63.200 0.056 0.000 0.216 349 S HN 0.747 nan 8.310 nan 0.000 0.528 350 N N 2.228 121.003 118.700 0.126 0.000 2.327 350 N HA 0.228 4.968 4.740 0.000 0.000 0.231 350 N C -0.114 175.593 175.510 0.330 0.000 1.130 350 N CA 0.857 53.994 53.050 0.145 0.000 0.845 350 N CB 0.168 38.662 38.487 0.013 0.000 1.073 350 N HN 0.876 nan 8.380 nan 0.000 0.496 351 T N -1.960 112.816 114.554 0.370 0.000 2.933 351 T HA 0.510 4.861 4.350 0.000 0.000 0.305 351 T C -0.918 173.785 174.700 0.004 0.000 1.092 351 T CA -0.668 61.586 62.100 0.257 0.000 1.008 351 T CB 1.686 70.614 68.868 0.100 0.000 1.102 351 T HN -0.027 nan 8.240 nan 0.000 0.469 352 V N 3.245 123.001 119.914 -0.264 0.000 2.398 352 V HA 0.592 4.712 4.120 0.000 0.000 0.286 352 V C -0.075 175.866 176.094 -0.254 0.000 1.026 352 V CA -1.144 60.898 62.300 -0.429 0.000 0.868 352 V CB 1.058 32.455 31.823 -0.711 0.000 0.982 352 V HN 0.806 nan 8.190 nan 0.000 0.443 353 I N 3.372 123.807 120.570 -0.225 0.000 2.312 353 I HA 0.332 4.502 4.170 0.000 0.000 0.291 353 I C 0.129 175.999 176.117 -0.411 0.000 1.031 353 I CA -0.009 61.136 61.300 -0.259 0.000 1.293 353 I CB 0.761 38.649 38.000 -0.187 0.000 1.403 353 I HN 0.654 nan 8.210 nan 0.000 0.484 354 C N 6.323 125.382 119.300 -0.401 0.000 2.341 354 C HA 0.423 4.884 4.460 0.000 0.000 0.338 354 C C 0.376 175.091 174.990 -0.459 0.000 1.257 354 C CA -0.543 58.261 59.018 -0.358 0.000 1.883 354 C CB 0.300 27.939 27.740 -0.168 0.000 2.334 354 C HN 0.605 nan 8.230 nan 0.000 0.524 355 H N 1.607 120.691 119.070 0.024 0.000 2.736 355 H HA 0.278 4.834 4.556 0.000 0.000 0.271 355 H C 0.638 176.004 175.328 0.063 0.000 1.184 355 H CA -0.053 56.017 56.048 0.036 0.000 1.378 355 H CB 0.788 30.571 29.762 0.035 0.000 1.428 355 H HN 0.946 nan 8.280 nan 0.000 0.500 356 G N 1.792 110.658 108.800 0.110 0.000 2.391 356 G HA2 0.245 4.205 3.960 0.000 0.000 0.234 356 G HA3 0.245 4.205 3.960 0.000 0.000 0.234 356 G C 0.483 175.448 174.900 0.108 0.000 1.284 356 G CA -0.005 45.145 45.100 0.083 0.000 0.873 356 G HN 0.431 nan 8.290 nan 0.000 0.549 357 V N 0.062 120.029 119.914 0.089 0.000 3.046 357 V HA 0.640 4.760 4.120 0.000 0.000 0.316 357 V C 1.098 177.222 176.094 0.049 0.000 1.104 357 V CA -0.586 61.770 62.300 0.092 0.000 1.006 357 V CB 1.932 33.823 31.823 0.115 0.000 1.058 357 V HN 0.707 nan 8.190 nan 0.000 0.440 358 E N 1.855 122.081 120.200 0.044 0.000 2.012 358 E HA -0.041 4.310 4.350 0.000 0.000 0.197 358 E C 0.529 177.139 176.600 0.017 0.000 1.007 358 E CA 1.931 58.347 56.400 0.027 0.000 0.816 358 E CB 0.090 29.805 29.700 0.025 0.000 0.762 358 E HN 0.768 nan 8.360 nan 0.000 0.451 359 K N -0.817 119.592 120.400 0.015 0.000 2.512 359 K HA 0.412 4.732 4.320 0.000 0.000 0.263 359 K C -1.008 175.590 176.600 -0.004 0.000 0.966 359 K CA -0.747 55.542 56.287 0.004 0.000 0.851 359 K CB 1.906 34.408 32.500 0.004 0.000 1.395 359 K HN 0.001 nan 8.250 nan 0.000 0.440 360 L N 0.828 122.044 121.223 -0.012 0.000 2.375 360 L HA 0.431 4.771 4.340 0.000 0.000 0.268 360 L C -0.145 176.714 176.870 -0.018 0.000 1.058 360 L CA -0.683 54.143 54.840 -0.024 0.000 0.803 360 L CB 1.854 43.897 42.059 -0.026 0.000 1.212 360 L HN 0.528 nan 8.230 nan 0.000 0.451 361 S N 0.058 115.745 115.700 -0.023 0.000 2.451 361 S HA 0.473 4.943 4.470 0.000 0.000 0.301 361 S C 0.209 174.800 174.600 -0.014 0.000 1.116 361 S CA -0.706 57.485 58.200 -0.015 0.000 1.093 361 S CB 1.654 64.845 63.200 -0.015 0.000 1.017 361 S HN 0.774 nan 8.310 nan 0.000 0.482 362 G N 1.507 110.302 108.800 -0.008 0.000 2.414 362 G HA2 0.499 4.459 3.960 0.000 0.000 0.236 362 G HA3 0.499 4.459 3.960 0.000 0.000 0.236 362 G C -0.174 174.724 174.900 -0.004 0.000 1.293 362 G CA 0.181 45.278 45.100 -0.005 0.000 0.869 362 G HN 1.021 nan 8.290 nan 0.000 0.556 363 A N 1.702 124.521 122.820 -0.001 0.000 2.536 363 A HA 0.664 4.984 4.320 0.000 0.000 0.293 363 A C -0.684 176.902 177.584 0.005 0.000 1.119 363 A CA -0.776 51.261 52.037 -0.000 0.000 0.654 363 A CB 0.798 19.794 19.000 -0.006 0.000 1.291 363 A HN 0.642 nan 8.150 nan 0.000 0.439 364 Q N 0.580 120.384 119.800 0.006 0.000 2.314 364 Q HA 0.494 4.835 4.340 0.000 0.000 0.257 364 Q C -0.170 175.834 176.000 0.006 0.000 0.975 364 Q CA -0.493 55.316 55.803 0.010 0.000 0.933 364 Q CB 1.323 30.068 28.738 0.011 0.000 1.195 364 Q HN 0.887 nan 8.270 nan 0.000 0.426 365 V N -0.085 119.833 119.914 0.007 0.000 3.046 365 V HA 0.699 4.820 4.120 0.000 0.000 0.316 365 V C -0.655 175.439 176.094 -0.000 0.000 1.104 365 V CA -1.290 61.011 62.300 0.002 0.000 1.006 365 V CB 2.206 34.028 31.823 -0.000 0.000 1.058 365 V HN 0.822 nan 8.190 nan 0.000 0.440 366 M N 2.760 122.357 119.600 -0.004 0.000 2.190 366 M HA 0.790 5.270 4.480 0.000 0.000 0.312 366 M C -0.073 176.208 176.300 -0.031 0.000 0.990 366 M CA -0.615 54.679 55.300 -0.009 0.000 0.927 366 M CB 1.446 34.049 32.600 0.005 0.000 1.571 366 M HN 1.204 nan 8.290 nan 0.000 0.427 367 A N 2.887 125.674 122.820 -0.055 0.000 2.477 367 A HA 0.422 4.742 4.320 0.000 0.000 0.246 367 A C 0.839 178.315 177.584 -0.180 0.000 1.078 367 A CA 0.230 52.197 52.037 -0.116 0.000 0.770 367 A CB -0.039 18.885 19.000 -0.128 0.000 1.011 367 A HN 0.959 nan 8.150 nan 0.000 0.494 368 T N -1.552 112.818 114.554 -0.307 0.000 2.959 368 T HA 0.364 4.714 4.350 0.000 0.000 0.254 368 T C 0.011 174.280 174.700 -0.719 0.000 1.003 368 T CA 0.645 62.532 62.100 -0.355 0.000 0.950 368 T CB -0.393 68.391 68.868 -0.140 0.000 1.090 368 T HN 0.876 nan 8.240 nan 0.000 0.503 369 D N -0.804 119.126 120.400 -0.783 0.000 2.692 369 D HA 0.385 5.025 4.640 0.000 0.000 0.290 369 D C 0.682 176.758 176.300 -0.372 0.000 1.281 369 D CA -0.931 52.695 54.000 -0.624 0.000 0.804 369 D CB 0.685 41.313 40.800 -0.287 0.000 1.331 369 D HN -0.102 nan 8.370 nan 0.000 0.432 370 L N 0.538 121.673 121.223 -0.148 0.000 1.951 370 L HA -0.111 4.230 4.340 0.000 0.000 0.222 370 L C 1.987 178.867 176.870 0.018 0.000 1.078 370 L CA 1.905 56.742 54.840 -0.004 0.000 0.778 370 L CB -0.670 41.411 42.059 0.036 0.000 0.893 370 L HN 0.486 nan 8.230 nan 0.000 0.436 371 R N 0.028 120.525 120.500 -0.005 0.000 2.148 371 R HA 0.030 4.370 4.340 0.000 0.000 0.227 371 R C 2.167 178.409 176.300 -0.097 0.000 1.103 371 R CA 1.198 57.300 56.100 0.003 0.000 0.983 371 R CB -1.512 28.783 30.300 -0.008 0.000 0.874 371 R HN 0.591 nan 8.270 nan 0.000 0.451 372 A N 1.318 124.056 122.820 -0.138 0.000 1.930 372 A HA -0.158 4.162 4.320 0.000 0.000 0.217 372 A C 2.361 179.873 177.584 -0.119 0.000 1.175 372 A CA 1.800 53.751 52.037 -0.144 0.000 0.627 372 A CB -0.535 18.421 19.000 -0.073 0.000 0.815 372 A HN 0.445 nan 8.150 nan 0.000 0.443 373 S N 0.439 116.054 115.700 -0.141 0.000 2.368 373 S HA -0.037 4.434 4.470 0.000 0.000 0.225 373 S C 2.108 176.621 174.600 -0.146 0.000 1.030 373 S CA 1.463 59.581 58.200 -0.138 0.000 0.999 373 S CB -0.756 62.357 63.200 -0.144 0.000 0.844 373 S HN 0.918 nan 8.310 nan 0.000 0.459 374 A N 1.569 124.273 122.820 -0.193 0.000 1.933 374 A HA 0.032 4.352 4.320 0.000 0.000 0.218 374 A C 2.461 179.921 177.584 -0.206 0.000 1.175 374 A CA 1.782 53.629 52.037 -0.315 0.000 0.628 374 A CB -1.167 17.512 19.000 -0.535 0.000 0.814 374 A HN 0.567 nan 8.150 nan 0.000 0.444 375 S N -0.077 115.534 115.700 -0.148 0.000 2.368 375 S HA -0.062 4.409 4.470 0.000 0.000 0.224 375 S C 1.786 176.345 174.600 -0.068 0.000 1.029 375 S CA 1.358 59.494 58.200 -0.108 0.000 0.988 375 S CB -0.413 62.717 63.200 -0.116 0.000 0.838 375 S HN 0.525 nan 8.310 nan 0.000 0.462 376 L N 0.981 122.172 121.223 -0.054 0.000 2.141 376 L HA -0.048 4.292 4.340 0.000 0.000 0.209 376 L C 2.242 179.101 176.870 -0.018 0.000 1.094 376 L CA 0.702 55.527 54.840 -0.025 0.000 0.763 376 L CB -0.589 41.458 42.059 -0.020 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.095 119.994 119.914 -0.026 0.000 2.379 377 V HA -0.244 3.876 4.120 0.000 0.000 0.245 377 V C 2.367 178.447 176.094 -0.024 0.000 1.044 377 V CA 1.385 63.694 62.300 0.015 0.000 1.036 377 V CB -0.218 31.640 31.823 0.058 0.000 0.664 377 V HN 0.343 nan 8.190 nan 0.000 0.453 378 L N 0.021 121.205 121.223 -0.065 0.000 2.093 378 L HA -0.135 4.206 4.340 0.000 0.000 0.208 378 L C 2.725 179.570 176.870 -0.041 0.000 1.085 378 L CA 1.409 56.210 54.840 -0.065 0.000 0.755 378 L CB -0.798 41.204 42.059 -0.095 0.000 0.904 378 L HN 0.369 nan 8.230 nan 0.000 0.435 379 A N 0.508 123.307 122.820 -0.034 0.000 1.902 379 A HA -0.143 4.178 4.320 0.000 0.000 0.217 379 A C 2.414 179.988 177.584 -0.017 0.000 1.181 379 A CA 1.766 53.789 52.037 -0.023 0.000 0.623 379 A CB -1.243 17.747 19.000 -0.016 0.000 0.818 379 A HN 0.435 nan 8.150 nan 0.000 0.443 380 G N -0.989 107.805 108.800 -0.010 0.000 2.422 380 G HA2 -0.262 3.699 3.960 0.000 0.000 0.218 380 G HA3 -0.262 3.699 3.960 0.000 0.000 0.218 380 G C 1.536 176.429 174.900 -0.011 0.000 1.146 380 G CA 1.300 46.397 45.100 -0.004 0.000 0.769 380 G HN 0.532 nan 8.290 nan 0.000 0.547 381 C N 0.715 120.005 119.300 -0.017 0.000 2.422 381 C HA 0.028 4.488 4.460 0.000 0.000 0.279 381 C C 2.623 177.603 174.990 -0.016 0.000 1.305 381 C CA 0.897 59.903 59.018 -0.019 0.000 1.757 381 C CB -0.889 26.839 27.740 -0.020 0.000 1.962 381 C HN 0.664 nan 8.230 nan 0.000 0.499 382 I N -1.173 119.387 120.570 -0.016 0.000 3.968 382 I HA 0.382 4.552 4.170 0.000 0.000 0.328 382 I C 1.046 177.156 176.117 -0.012 0.000 1.290 382 I CA -0.117 61.174 61.300 -0.014 0.000 1.163 382 I CB -0.394 37.596 38.000 -0.017 0.000 1.024 382 I HN 0.068 nan 8.210 nan 0.000 0.413 383 A N 1.847 124.659 122.820 -0.012 0.000 2.313 383 A HA 0.296 4.616 4.320 0.000 0.000 0.261 383 A C -0.018 177.561 177.584 -0.008 0.000 1.090 383 A CA -0.179 51.851 52.037 -0.011 0.000 0.807 383 A CB 0.302 19.295 19.000 -0.012 0.000 1.055 383 A HN 0.431 nan 8.150 nan 0.000 0.492 384 E N 0.107 120.303 120.200 -0.007 0.000 2.052 384 E HA 0.485 4.835 4.350 0.000 0.000 0.283 384 E C 0.560 177.157 176.600 -0.004 0.000 1.071 384 E CA 1.156 57.553 56.400 -0.005 0.000 0.851 384 E CB -0.261 29.437 29.700 -0.003 0.000 1.066 384 E HN 1.572 nan 8.360 nan 0.000 0.396 385 G N 2.976 111.774 108.800 -0.004 0.000 2.378 385 G HA2 -0.137 3.823 3.960 0.000 0.000 0.198 385 G HA3 -0.137 3.823 3.960 0.000 0.000 0.198 385 G C -0.647 174.251 174.900 -0.003 0.000 1.223 385 G CA -0.410 44.688 45.100 -0.003 0.000 1.088 385 G HN 0.543 nan 8.290 nan 0.000 0.530 386 T N 1.456 116.010 114.554 -0.000 0.000 2.767 386 T HA 0.669 5.019 4.350 0.000 0.000 0.284 386 T C -0.117 174.587 174.700 0.006 0.000 0.973 386 T CA 0.288 62.390 62.100 0.002 0.000 0.996 386 T CB 1.429 70.300 68.868 0.005 0.000 0.927 386 T HN 0.710 nan 8.240 nan 0.000 0.456 387 T N 2.773 117.332 114.554 0.010 0.000 2.829 387 T HA 0.560 4.910 4.350 0.000 0.000 0.280 387 T C -0.488 174.231 174.700 0.031 0.000 0.999 387 T CA -0.544 61.566 62.100 0.016 0.000 0.983 387 T CB 1.313 70.189 68.868 0.013 0.000 0.968 387 T HN 0.319 nan 8.240 nan 0.000 0.446 388 V N 3.661 123.595 119.914 0.033 0.000 2.376 388 V HA 0.352 4.472 4.120 0.000 0.000 0.287 388 V C -0.249 175.872 176.094 0.045 0.000 1.015 388 V CA -0.804 61.525 62.300 0.049 0.000 0.834 388 V CB 1.635 33.481 31.823 0.039 0.000 1.001 388 V HN 0.725 nan 8.190 nan 0.000 0.428 389 V N 3.966 123.920 119.914 0.066 0.000 2.334 389 V HA 0.270 4.390 4.120 0.000 0.000 0.267 389 V C 0.132 176.224 176.094 -0.002 0.000 1.040 389 V CA -0.337 61.980 62.300 0.028 0.000 0.866 389 V CB 1.240 33.083 31.823 0.034 0.000 1.019 389 V HN 0.902 nan 8.190 nan 0.000 0.468 390 D N 4.036 124.433 120.400 -0.006 0.000 2.339 390 D HA 0.324 4.964 4.640 0.000 0.000 0.245 390 D C 0.746 177.021 176.300 -0.042 0.000 1.115 390 D CA -0.117 53.879 54.000 -0.008 0.000 0.917 390 D CB 0.458 41.267 40.800 0.015 0.000 1.192 390 D HN 0.500 nan 8.370 nan 0.000 0.428 391 R N 1.706 122.187 120.500 -0.031 0.000 3.332 391 R HA -0.176 4.164 4.340 0.000 0.000 0.263 391 R C 0.746 176.856 176.300 -0.318 0.000 1.053 391 R CA 0.525 56.566 56.100 -0.099 0.000 0.705 391 R CB -2.173 28.079 30.300 -0.080 0.000 1.166 391 R HN 0.473 nan 8.270 nan 0.000 0.427 392 I N -2.187 118.210 120.570 -0.287 0.000 3.444 392 I HA -0.103 4.067 4.170 0.000 0.000 0.287 392 I C 1.989 177.891 176.117 -0.357 0.000 1.302 392 I CA 0.483 61.522 61.300 -0.434 0.000 1.368 392 I CB -0.911 36.560 38.000 -0.882 0.000 1.048 392 I HN 0.344 nan 8.210 nan 0.000 0.487 393 Y N 0.010 120.186 120.300 -0.207 0.000 2.256 393 Y HA -0.232 4.318 4.550 0.000 0.000 0.288 393 Y C 2.379 178.193 175.900 -0.143 0.000 1.155 393 Y CA 1.438 59.428 58.100 -0.184 0.000 1.203 393 Y CB -1.672 36.664 38.460 -0.206 0.000 0.980 393 Y HN 0.205 nan 8.280 nan 0.000 0.530 394 H N 0.531 119.238 119.070 -0.604 0.000 2.353 394 H HA -0.192 4.364 4.556 0.000 0.000 0.298 394 H C 2.359 177.618 175.328 -0.115 0.000 1.103 394 H CA 2.051 57.892 56.048 -0.345 0.000 1.293 394 H CB -0.359 29.136 29.762 -0.444 0.000 1.372 394 H HN 0.507 nan 8.280 nan 0.000 0.501 395 I N 1.050 121.609 120.570 -0.018 0.000 2.493 395 I HA -0.202 3.968 4.170 0.000 0.000 0.254 395 I C 1.256 177.456 176.117 0.138 0.000 1.160 395 I CA 1.020 62.349 61.300 0.048 0.000 1.445 395 I CB 0.014 37.953 38.000 -0.102 0.000 1.086 395 I HN 0.082 nan 8.210 nan 0.000 0.433 396 D N 0.439 120.884 120.400 0.076 0.000 2.348 396 D HA -0.113 4.527 4.640 0.000 0.000 0.216 396 D C 2.094 178.459 176.300 0.109 0.000 0.970 396 D CA 0.601 54.664 54.000 0.105 0.000 0.889 396 D CB -0.074 40.774 40.800 0.079 0.000 0.912 396 D HN 0.388 nan 8.370 nan 0.000 0.524 397 R N -0.193 120.374 120.500 0.111 0.000 2.093 397 R HA 0.031 4.372 4.340 0.000 0.000 0.224 397 R C 1.867 178.203 176.300 0.059 0.000 1.101 397 R CA 1.135 57.288 56.100 0.087 0.000 0.979 397 R CB 0.142 30.499 30.300 0.095 0.000 0.877 397 R HN 0.100 nan 8.270 nan 0.000 0.441 398 G N -1.658 107.181 108.800 0.065 0.000 3.342 398 G HA2 0.094 4.054 3.960 0.000 0.000 0.252 398 G HA3 0.094 4.054 3.960 0.000 0.000 0.252 398 G C -0.547 174.202 174.900 -0.251 0.000 1.011 398 G CA -0.195 44.853 45.100 -0.087 0.000 0.869 398 G HN 0.055 nan 8.290 nan 0.000 0.514 399 Y N 0.650 120.978 120.300 0.048 0.000 2.338 399 Y HA 0.410 4.960 4.550 0.000 0.000 0.333 399 Y C -0.056 175.900 175.900 0.093 0.000 0.968 399 Y CA -1.319 56.824 58.100 0.072 0.000 1.123 399 Y CB 1.758 40.257 38.460 0.064 0.000 1.165 399 Y HN 0.062 nan 8.280 nan 0.000 0.452 400 E N 4.476 124.800 120.200 0.207 0.000 2.129 400 E HA 0.249 4.600 4.350 0.000 0.000 0.283 400 E C -0.350 176.366 176.600 0.194 0.000 1.080 400 E CA -0.396 56.101 56.400 0.162 0.000 0.867 400 E CB 0.248 30.012 29.700 0.106 0.000 1.056 400 E HN 0.681 nan 8.360 nan 0.000 0.404 401 R N 3.553 124.158 120.500 0.176 0.000 3.188 401 R HA -0.221 4.119 4.340 0.000 0.000 0.247 401 R C 0.971 177.392 176.300 0.201 0.000 0.918 401 R CA 0.503 56.701 56.100 0.164 0.000 0.629 401 R CB -1.852 28.515 30.300 0.112 0.000 1.087 401 R HN 0.766 nan 8.270 nan 0.000 0.462 402 I N 0.188 120.912 120.570 0.256 0.000 2.394 402 I HA -0.232 3.938 4.170 0.000 0.000 0.251 402 I C 2.406 178.631 176.117 0.180 0.000 1.136 402 I CA 1.575 63.040 61.300 0.275 0.000 1.425 402 I CB -0.012 38.097 38.000 0.182 0.000 1.079 402 I HN 0.517 nan 8.210 nan 0.000 0.425 403 E N 0.794 121.072 120.200 0.130 0.000 2.038 403 E HA -0.294 4.056 4.350 0.000 0.000 0.195 403 E C 1.617 178.201 176.600 -0.025 0.000 1.000 403 E CA 2.018 58.387 56.400 -0.051 0.000 0.803 403 E CB 0.030 29.688 29.700 -0.070 0.000 0.750 403 E HN 0.493 nan 8.360 nan 0.000 0.448 404 D N 0.251 120.667 120.400 0.026 0.000 2.097 404 D HA -0.127 4.514 4.640 0.000 0.000 0.197 404 D C 1.884 178.192 176.300 0.014 0.000 0.984 404 D CA 1.037 55.045 54.000 0.013 0.000 0.826 404 D CB -0.143 40.672 40.800 0.025 0.000 0.973 404 D HN 0.177 nan 8.370 nan 0.000 0.460 405 K N 0.279 120.708 120.400 0.048 0.000 2.057 405 K HA -0.048 4.272 4.320 0.000 0.000 0.207 405 K C 2.326 178.946 176.600 0.033 0.000 1.049 405 K CA 0.565 56.851 56.287 -0.001 0.000 0.931 405 K CB -0.125 32.376 32.500 0.001 0.000 0.714 405 K HN 0.148 nan 8.250 nan 0.000 0.440 406 L N 0.450 121.753 121.223 0.133 0.000 2.056 406 L HA -0.140 4.200 4.340 0.000 0.000 0.207 406 L C 2.746 179.631 176.870 0.025 0.000 1.078 406 L CA 1.002 55.916 54.840 0.124 0.000 0.749 406 L CB -0.312 41.798 42.059 0.086 0.000 0.901 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.476 120.969 120.500 -0.012 0.000 2.083 407 R HA -0.180 4.161 4.340 0.000 0.000 0.237 407 R C 2.183 178.468 176.300 -0.025 0.000 1.137 407 R CA 1.509 57.590 56.100 -0.033 0.000 0.951 407 R CB -0.274 29.999 30.300 -0.046 0.000 0.851 407 R HN 0.327 nan 8.270 nan 0.000 0.434 408 A N 0.335 123.139 122.820 -0.027 0.000 2.225 408 A HA -0.057 4.263 4.320 0.000 0.000 0.215 408 A C 1.725 179.287 177.584 -0.037 0.000 1.164 408 A CA 0.903 52.918 52.037 -0.036 0.000 0.710 408 A CB -0.209 18.761 19.000 -0.050 0.000 0.780 408 A HN 0.373 nan 8.150 nan 0.000 0.473 409 L N -2.026 119.183 121.223 -0.023 0.000 2.640 409 L HA 0.305 4.645 4.340 0.000 0.000 0.230 409 L C 1.464 178.330 176.870 -0.006 0.000 1.123 409 L CA 0.542 55.375 54.840 -0.012 0.000 0.900 409 L CB 0.313 42.383 42.059 0.017 0.000 1.146 409 L HN 0.510 nan 8.230 nan 0.000 0.484 410 G N 0.003 108.796 108.800 -0.012 0.000 2.163 410 G HA2 -0.188 3.772 3.960 0.000 0.000 0.213 410 G HA3 -0.188 3.772 3.960 0.000 0.000 0.213 410 G C 0.318 175.208 174.900 -0.016 0.000 0.991 410 G CA -0.146 44.946 45.100 -0.014 0.000 0.653 410 G HN 0.396 nan 8.290 nan 0.000 0.518 411 A N 0.003 122.812 122.820 -0.018 0.000 2.371 411 A HA 0.621 4.941 4.320 0.000 0.000 0.257 411 A C 0.491 178.048 177.584 -0.046 0.000 1.089 411 A CA 0.110 52.129 52.037 -0.030 0.000 0.794 411 A CB 0.452 19.433 19.000 -0.032 0.000 1.029 411 A HN 0.502 nan 8.150 nan 0.000 0.488 412 N N 1.857 120.527 118.700 -0.049 0.000 2.817 412 N HA 0.358 5.098 4.740 0.000 0.000 0.234 412 N C -1.368 174.095 175.510 -0.079 0.000 1.066 412 N CA -0.047 52.971 53.050 -0.054 0.000 0.926 412 N CB 0.292 38.758 38.487 -0.036 0.000 1.176 412 N HN 0.665 nan 8.380 nan 0.000 0.506 413 I N 1.490 121.989 120.570 -0.119 0.000 2.730 413 I HA 0.448 4.619 4.170 0.000 0.000 0.298 413 I C -1.372 174.615 176.117 -0.217 0.000 1.089 413 I CA -0.687 60.494 61.300 -0.199 0.000 1.041 413 I CB 1.893 39.706 38.000 -0.311 0.000 1.235 413 I HN 0.427 nan 8.210 nan 0.000 0.423 414 E N 7.028 127.098 120.200 -0.216 0.000 2.321 414 E HA 0.352 4.702 4.350 0.000 0.000 0.281 414 E C -1.652 174.912 176.600 -0.060 0.000 0.910 414 E CA -1.024 55.292 56.400 -0.141 0.000 0.770 414 E CB 1.619 31.284 29.700 -0.058 0.000 1.225 414 E HN 0.615 nan 8.360 nan 0.000 0.417 415 R N 2.815 123.328 120.500 0.021 0.000 2.265 415 R HA 0.416 4.756 4.340 0.000 0.000 0.314 415 R C -0.342 176.052 176.300 0.155 0.000 1.053 415 R CA -0.362 55.891 56.100 0.255 0.000 0.931 415 R CB 1.082 31.610 30.300 0.380 0.000 1.024 415 R HN 0.512 nan 8.270 nan 0.000 0.457 416 V N 1.488 121.496 119.914 0.156 0.000 3.046 416 V HA 0.491 4.611 4.120 0.000 0.000 0.316 416 V C 0.018 176.160 176.094 0.080 0.000 1.104 416 V CA -0.909 61.447 62.300 0.093 0.000 1.006 416 V CB 2.145 34.012 31.823 0.073 0.000 1.058 416 V HN 0.643 nan 8.190 nan 0.000 0.440 417 K N 2.034 122.467 120.400 0.056 0.000 2.078 417 K HA 0.342 4.662 4.320 0.000 0.000 0.203 417 K C 1.597 178.220 176.600 0.038 0.000 1.043 417 K CA 1.294 57.607 56.287 0.044 0.000 0.960 417 K CB -0.855 31.665 32.500 0.033 0.000 0.761 417 K HN 1.529 nan 8.250 nan 0.000 0.448 418 G N 3.229 112.050 108.800 0.034 0.000 2.451 418 G HA2 -0.347 3.613 3.960 0.000 0.000 0.296 418 G HA3 -0.347 3.613 3.960 0.000 0.000 0.296 418 G C -0.339 174.577 174.900 0.026 0.000 0.922 418 G CA 1.073 46.191 45.100 0.030 0.000 1.074 418 G HN 0.521 nan 8.290 nan 0.000 0.509 419 E N 0.000 120.213 120.200 0.022 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.411 56.400 0.018 0.000 0.976 419 E CB 0.000 29.709 29.700 0.014 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440