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_F 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 0.034 0.000 0.988 1 M CB 0.000 32.626 32.600 0.044 0.000 1.302 2 D N 3.761 124.187 120.400 0.044 0.000 2.443 2 D HA 0.387 5.027 4.640 -0.000 0.000 0.234 2 D C -0.352 175.955 176.300 0.011 0.000 1.172 2 D CA 0.898 54.920 54.000 0.037 0.000 0.878 2 D CB 0.719 41.537 40.800 0.030 0.000 1.204 2 D HN 0.531 nan 8.370 nan 0.000 0.453 3 K N 0.486 120.910 120.400 0.040 0.000 2.495 3 K HA 0.475 4.795 4.320 -0.000 0.000 0.268 3 K C -0.921 175.811 176.600 0.219 0.000 1.008 3 K CA -0.774 55.536 56.287 0.040 0.000 0.882 3 K CB 1.944 34.481 32.500 0.062 0.000 1.443 3 K HN 0.292 nan 8.250 nan 0.000 0.447 4 F N 1.145 121.097 119.950 0.002 0.000 2.444 4 F HA 0.417 4.944 4.527 -0.000 0.000 0.342 4 F C 0.181 175.977 175.800 -0.005 0.000 1.121 4 F CA -1.030 56.968 58.000 -0.004 0.000 0.997 4 F CB 1.981 40.971 39.000 -0.017 0.000 1.130 4 F HN 0.217 nan 8.300 nan 0.000 0.454 5 R N 3.921 124.507 120.500 0.143 0.000 2.246 5 R HA 0.554 4.894 4.340 -0.000 0.000 0.332 5 R C -1.733 174.572 176.300 0.007 0.000 0.974 5 R CA -0.373 55.764 56.100 0.062 0.000 0.837 5 R CB 1.212 31.537 30.300 0.040 0.000 1.145 5 R HN 0.464 nan 8.270 nan 0.000 0.467 6 V N 4.422 124.344 119.914 0.013 0.000 2.513 6 V HA 0.335 4.455 4.120 -0.000 0.000 0.299 6 V C -0.380 175.707 176.094 -0.012 0.000 1.035 6 V CA -0.865 61.425 62.300 -0.016 0.000 0.889 6 V CB 1.840 33.659 31.823 -0.007 0.000 0.988 6 V HN 0.683 nan 8.190 nan 0.000 0.440 7 Q N 2.793 122.579 119.800 -0.022 0.000 2.333 7 Q HA 0.647 4.987 4.340 -0.000 0.000 0.265 7 Q C 0.070 176.059 176.000 -0.017 0.000 0.989 7 Q CA -0.118 55.676 55.803 -0.016 0.000 0.842 7 Q CB 2.399 31.127 28.738 -0.018 0.000 1.262 7 Q HN 0.984 nan 8.270 nan 0.000 0.451 8 G N 2.738 111.530 108.800 -0.013 0.000 2.818 8 G HA2 0.722 4.682 3.960 -0.000 0.000 0.286 8 G HA3 0.722 4.682 3.960 -0.000 0.000 0.286 8 G C -2.817 172.077 174.900 -0.010 0.000 1.364 8 G CA -1.208 43.884 45.100 -0.013 0.000 0.938 8 G HN 0.301 nan 8.290 nan 0.000 0.490 9 P HA 0.363 nan 4.420 nan 0.000 0.281 9 P C -0.734 176.560 177.300 -0.010 0.000 1.249 9 P CA -0.075 63.018 63.100 -0.010 0.000 0.810 9 P CB 1.597 33.291 31.700 -0.009 0.000 1.008 10 T N -0.807 113.740 114.554 -0.011 0.000 2.991 10 T HA 0.394 4.744 4.350 -0.000 0.000 0.303 10 T C -0.313 174.382 174.700 -0.008 0.000 1.015 10 T CA -1.026 61.068 62.100 -0.010 0.000 1.007 10 T CB 1.308 70.168 68.868 -0.013 0.000 1.034 10 T HN 0.418 nan 8.240 nan 0.000 0.446 11 R N 3.139 123.636 120.500 -0.006 0.000 2.442 11 R HA 0.447 4.787 4.340 -0.000 0.000 0.291 11 R C -0.585 175.714 176.300 -0.002 0.000 1.069 11 R CA -0.509 55.589 56.100 -0.004 0.000 1.022 11 R CB 0.186 30.484 30.300 -0.004 0.000 0.976 11 R HN 0.702 nan 8.270 nan 0.000 0.443 12 L N 6.227 127.453 121.223 0.004 0.000 2.264 12 L HA 0.322 4.661 4.340 -0.000 0.000 0.289 12 L C -0.086 176.791 176.870 0.013 0.000 1.044 12 L CA -0.245 54.605 54.840 0.016 0.000 0.807 12 L CB 1.096 43.178 42.059 0.037 0.000 1.192 12 L HN 0.777 nan 8.230 nan 0.000 0.425 13 Q N 2.989 122.791 119.800 0.004 0.000 2.575 13 Q HA 0.785 5.124 4.340 -0.000 0.000 0.290 13 Q C -0.430 175.559 176.000 -0.019 0.000 0.963 13 Q CA -0.371 55.428 55.803 -0.006 0.000 0.783 13 Q CB 2.797 31.527 28.738 -0.013 0.000 1.467 13 Q HN 0.663 nan 8.270 nan 0.000 0.402 14 G N 0.849 109.632 108.800 -0.028 0.000 2.253 14 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.190 14 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.190 14 G C -1.442 173.425 174.900 -0.055 0.000 1.274 14 G CA -0.231 44.844 45.100 -0.043 0.000 1.275 14 G HN 0.695 nan 8.290 nan 0.000 0.518 15 E N -1.497 118.658 120.200 -0.076 0.000 2.393 15 E HA 0.656 5.006 4.350 -0.000 0.000 0.273 15 E C -1.513 174.998 176.600 -0.148 0.000 0.918 15 E CA -0.718 55.626 56.400 -0.093 0.000 0.773 15 E CB 3.203 32.854 29.700 -0.083 0.000 1.275 15 E HN 0.978 nan 8.360 nan 0.000 0.451 16 V N 0.856 120.663 119.914 -0.178 0.000 3.048 16 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 16 V C -1.543 174.444 176.094 -0.178 0.000 1.214 16 V CA -0.268 61.861 62.300 -0.284 0.000 0.984 16 V CB 2.495 33.926 31.823 -0.654 0.000 1.054 16 V HN 0.712 nan 8.190 nan 0.000 0.430 17 T N 7.415 121.883 114.554 -0.143 0.000 2.756 17 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 17 T C -0.159 174.518 174.700 -0.038 0.000 0.985 17 T CA -0.275 61.788 62.100 -0.062 0.000 0.955 17 T CB 0.634 69.479 68.868 -0.039 0.000 0.930 17 T HN 0.486 nan 8.240 nan 0.000 0.451 18 I N 3.204 123.777 120.570 0.006 0.000 2.648 18 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 18 I C 1.165 177.305 176.117 0.039 0.000 1.153 18 I CA 0.148 61.479 61.300 0.052 0.000 1.426 18 I CB 0.253 38.296 38.000 0.072 0.000 1.381 18 I HN 0.566 nan 8.210 nan 0.000 0.571 19 S N 3.979 119.711 115.700 0.054 0.000 2.681 19 S HA 0.513 4.983 4.470 -0.000 0.000 0.270 19 S C 0.645 175.251 174.600 0.009 0.000 1.209 19 S CA -0.584 57.633 58.200 0.029 0.000 0.988 19 S CB 1.217 64.442 63.200 0.042 0.000 1.006 19 S HN 0.851 nan 8.310 nan 0.000 0.558 20 G N 0.154 108.949 108.800 -0.009 0.000 2.554 20 G HA2 0.434 4.394 3.960 -0.000 0.000 0.238 20 G HA3 0.434 4.394 3.960 -0.000 0.000 0.238 20 G C -0.055 174.831 174.900 -0.023 0.000 1.259 20 G CA -0.336 44.751 45.100 -0.023 0.000 0.843 20 G HN 0.894 nan 8.290 nan 0.000 0.582 21 A N 1.433 124.238 122.820 -0.025 0.000 2.491 21 A HA 0.260 4.580 4.320 -0.000 0.000 0.261 21 A C 1.639 179.206 177.584 -0.027 0.000 1.101 21 A CA 0.305 52.325 52.037 -0.030 0.000 0.772 21 A CB 0.273 19.257 19.000 -0.026 0.000 1.043 21 A HN 0.926 nan 8.150 nan 0.000 0.501 22 K N 2.575 122.954 120.400 -0.035 0.000 2.032 22 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 22 K C 0.484 177.103 176.600 0.033 0.000 1.048 22 K CA 1.966 58.245 56.287 -0.013 0.000 0.927 22 K CB -0.120 32.356 32.500 -0.040 0.000 0.712 22 K HN 0.712 nan 8.250 nan 0.000 0.441 23 N N 0.051 118.772 118.700 0.036 0.000 2.434 23 N HA 0.023 4.763 4.740 -0.000 0.000 0.196 23 N C 0.475 176.013 175.510 0.047 0.000 1.183 23 N CA 0.715 53.822 53.050 0.095 0.000 0.849 23 N CB 0.901 39.447 38.487 0.099 0.000 0.992 23 N HN 0.374 nan 8.380 nan 0.000 0.460 24 A N -0.185 122.633 122.820 -0.004 0.000 1.997 24 A HA 0.459 4.779 4.320 -0.000 0.000 0.198 24 A C 2.092 179.624 177.584 -0.088 0.000 1.449 24 A CA 0.644 52.649 52.037 -0.053 0.000 0.908 24 A CB -0.358 18.624 19.000 -0.031 0.000 0.984 24 A HN 0.175 nan 8.150 nan 0.000 0.487 25 A N 0.455 123.240 122.820 -0.059 0.000 1.902 25 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 25 A C 2.109 179.652 177.584 -0.068 0.000 1.181 25 A CA 1.543 53.527 52.037 -0.088 0.000 0.623 25 A CB -0.722 18.241 19.000 -0.061 0.000 0.818 25 A HN 0.439 nan 8.150 nan 0.000 0.443 26 L N -0.063 121.187 121.223 0.045 0.000 1.989 26 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 26 L C -0.196 176.796 176.870 0.203 0.000 1.071 26 L CA 1.882 56.849 54.840 0.212 0.000 0.749 26 L CB -1.425 40.896 42.059 0.437 0.000 0.890 26 L HN 0.318 nan 8.230 nan 0.000 0.431 27 P HA -0.157 nan 4.420 nan 0.000 0.219 27 P C 1.798 178.935 177.300 -0.272 0.000 1.150 27 P CA 1.565 64.311 63.100 -0.590 0.000 0.814 27 P CB 0.068 31.150 31.700 -1.030 0.000 0.787 28 I N -0.698 119.708 120.570 -0.273 0.000 2.353 28 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 28 I C 2.633 178.522 176.117 -0.380 0.000 1.119 28 I CA 0.938 61.974 61.300 -0.441 0.000 1.417 28 I CB -0.523 37.053 38.000 -0.707 0.000 1.078 28 I HN -0.152 nan 8.210 nan 0.000 0.421 29 L N -0.321 120.748 121.223 -0.257 0.000 2.046 29 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 29 L C 2.431 179.202 176.870 -0.166 0.000 1.077 29 L CA 1.630 56.330 54.840 -0.234 0.000 0.747 29 L CB -0.489 41.407 42.059 -0.271 0.000 0.896 29 L HN 0.149 nan 8.230 nan 0.000 0.432 30 F N -0.492 119.453 119.950 -0.008 0.000 2.259 30 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 30 F C 2.554 178.396 175.800 0.071 0.000 1.088 30 F CA 0.882 58.922 58.000 0.067 0.000 1.358 30 F CB -0.453 38.626 39.000 0.132 0.000 1.040 30 F HN -0.004 nan 8.300 nan 0.000 0.505 31 A N 0.091 123.034 122.820 0.206 0.000 2.019 31 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 31 A C 2.327 180.085 177.584 0.289 0.000 1.164 31 A CA 1.424 53.593 52.037 0.221 0.000 0.644 31 A CB -1.122 18.032 19.000 0.257 0.000 0.805 31 A HN 0.294 nan 8.150 nan 0.000 0.449 32 A N -0.322 122.672 122.820 0.289 0.000 2.125 32 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 32 A C 1.944 179.642 177.584 0.190 0.000 1.156 32 A CA 1.172 53.374 52.037 0.276 0.000 0.671 32 A CB -0.567 18.539 19.000 0.177 0.000 0.794 32 A HN 0.498 nan 8.150 nan 0.000 0.459 33 L N -0.806 120.534 121.223 0.195 0.000 2.353 33 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 33 L C 2.061 179.071 176.870 0.232 0.000 1.133 33 L CA 0.638 55.617 54.840 0.232 0.000 0.798 33 L CB -0.306 41.924 42.059 0.284 0.000 0.922 33 L HN 0.428 nan 8.230 nan 0.000 0.445 34 L N -0.627 120.689 121.223 0.157 0.000 2.341 34 L HA 0.095 4.435 4.340 -0.000 0.000 0.214 34 L C 1.390 178.277 176.870 0.028 0.000 1.115 34 L CA -0.322 54.560 54.840 0.070 0.000 0.820 34 L CB -0.345 41.730 42.059 0.027 0.000 0.944 34 L HN 0.113 nan 8.230 nan 0.000 0.452 35 A N 0.456 123.310 122.820 0.056 0.000 2.454 35 A HA 0.093 4.413 4.320 -0.000 0.000 0.260 35 A C 0.986 178.602 177.584 0.053 0.000 1.106 35 A CA -0.154 51.902 52.037 0.031 0.000 0.780 35 A CB 0.194 19.227 19.000 0.056 0.000 1.044 35 A HN 0.315 nan 8.150 nan 0.000 0.498 36 E N 1.014 121.228 120.200 0.024 0.000 2.400 36 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 36 E C -0.147 176.481 176.600 0.046 0.000 1.012 36 E CA 0.318 56.740 56.400 0.036 0.000 0.875 36 E CB 0.370 30.073 29.700 0.006 0.000 0.859 36 E HN 0.680 nan 8.360 nan 0.000 0.498 37 E N 1.024 121.248 120.200 0.040 0.000 2.221 37 E HA 0.321 4.671 4.350 -0.000 0.000 0.268 37 E C -2.532 174.110 176.600 0.070 0.000 0.933 37 E CA -2.713 53.716 56.400 0.048 0.000 0.809 37 E CB 1.130 30.849 29.700 0.033 0.000 1.190 37 E HN -0.149 nan 8.360 nan 0.000 0.406 38 P HA -0.039 nan 4.420 nan 0.000 0.264 38 P C -0.709 176.670 177.300 0.131 0.000 1.179 38 P CA 0.274 63.442 63.100 0.114 0.000 0.763 38 P CB 0.466 32.237 31.700 0.117 0.000 0.806 39 V N 2.678 122.685 119.914 0.154 0.000 2.823 39 V HA 0.403 4.523 4.120 -0.000 0.000 0.312 39 V C -0.054 176.107 176.094 0.113 0.000 1.072 39 V CA -0.495 61.899 62.300 0.156 0.000 0.937 39 V CB 2.075 34.019 31.823 0.201 0.000 1.013 39 V HN 0.488 nan 8.190 nan 0.000 0.430 40 E N 3.569 123.797 120.200 0.046 0.000 2.216 40 E HA 0.527 4.877 4.350 -0.000 0.000 0.260 40 E C -1.570 174.918 176.600 -0.186 0.000 0.880 40 E CA -0.534 55.736 56.400 -0.216 0.000 0.765 40 E CB 1.521 31.092 29.700 -0.215 0.000 1.174 40 E HN 0.644 nan 8.360 nan 0.000 0.417 41 I N 4.607 125.000 120.570 -0.295 0.000 2.328 41 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 41 I C 0.259 176.204 176.117 -0.287 0.000 1.012 41 I CA -0.506 60.661 61.300 -0.221 0.000 1.195 41 I CB 1.355 39.205 38.000 -0.250 0.000 1.350 41 I HN 0.376 nan 8.210 nan 0.000 0.464 42 Q N 4.006 123.679 119.800 -0.211 0.000 2.221 42 Q HA 0.267 4.606 4.340 -0.000 0.000 0.242 42 Q C 0.403 176.312 176.000 -0.152 0.000 0.940 42 Q CA -0.683 54.995 55.803 -0.208 0.000 0.896 42 Q CB 0.685 29.325 28.738 -0.164 0.000 1.226 42 Q HN 0.581 nan 8.270 nan 0.000 0.463 43 N N -0.609 118.014 118.700 -0.128 0.000 2.735 43 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 43 N C -1.646 173.816 175.510 -0.080 0.000 1.083 43 N CA 0.254 53.252 53.050 -0.087 0.000 0.703 43 N CB -0.933 37.507 38.487 -0.078 0.000 1.005 43 N HN 0.330 nan 8.380 nan 0.000 0.550 44 V N 1.797 121.652 119.914 -0.098 0.000 2.432 44 V HA 0.355 4.474 4.120 -0.000 0.000 0.271 44 V C -1.375 174.690 176.094 -0.048 0.000 1.046 44 V CA -1.031 61.218 62.300 -0.084 0.000 0.945 44 V CB 1.070 32.825 31.823 -0.113 0.000 0.992 44 V HN 0.218 nan 8.190 nan 0.000 0.471 45 P HA 0.148 nan 4.420 nan 0.000 0.272 45 P C -0.756 176.546 177.300 0.003 0.000 1.223 45 P CA -0.447 62.649 63.100 -0.006 0.000 0.784 45 P CB 0.871 32.569 31.700 -0.004 0.000 0.923 46 K N 2.585 122.999 120.400 0.022 0.000 2.206 46 K HA 0.384 4.704 4.320 -0.000 0.000 0.268 46 K C -0.170 176.455 176.600 0.042 0.000 1.111 46 K CA -0.195 56.110 56.287 0.030 0.000 0.955 46 K CB -0.110 32.413 32.500 0.039 0.000 1.406 46 K HN 0.421 nan 8.250 nan 0.000 0.427 47 L N 1.112 122.355 121.223 0.033 0.000 2.323 47 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 47 L C 1.406 178.300 176.870 0.039 0.000 1.012 47 L CA -1.071 53.795 54.840 0.043 0.000 0.820 47 L CB 1.271 43.349 42.059 0.032 0.000 1.334 47 L HN 0.278 nan 8.230 nan 0.000 0.427 48 K N 0.676 121.104 120.400 0.048 0.000 2.103 48 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 48 K C 1.062 177.683 176.600 0.035 0.000 1.048 48 K CA 1.684 57.995 56.287 0.040 0.000 0.930 48 K CB 0.085 32.614 32.500 0.048 0.000 0.716 48 K HN 0.610 nan 8.250 nan 0.000 0.444 49 D N 0.586 121.012 120.400 0.043 0.000 2.219 49 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 49 D C 1.841 178.170 176.300 0.047 0.000 0.970 49 D CA 0.530 54.562 54.000 0.053 0.000 0.851 49 D CB 0.065 40.906 40.800 0.070 0.000 0.943 49 D HN 0.158 nan 8.370 nan 0.000 0.488 50 I N 1.353 121.940 120.570 0.028 0.000 2.353 50 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 50 I C 1.674 177.786 176.117 -0.009 0.000 1.119 50 I CA 1.031 62.332 61.300 0.002 0.000 1.417 50 I CB -0.723 37.273 38.000 -0.006 0.000 1.078 50 I HN -0.059 nan 8.210 nan 0.000 0.421 51 D N 0.704 121.107 120.400 0.005 0.000 2.097 51 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 51 D C 2.142 178.441 176.300 -0.002 0.000 0.984 51 D CA 1.619 55.620 54.000 0.002 0.000 0.826 51 D CB -0.299 40.507 40.800 0.009 0.000 0.973 51 D HN 0.238 nan 8.370 nan 0.000 0.460 52 T N 0.495 115.054 114.554 0.008 0.000 2.746 52 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 52 T C 2.019 176.728 174.700 0.015 0.000 1.039 52 T CA 1.640 63.749 62.100 0.015 0.000 1.142 52 T CB -0.459 68.426 68.868 0.029 0.000 0.866 52 T HN 0.148 nan 8.240 nan 0.000 0.444 53 T N 2.110 116.663 114.554 -0.002 0.000 2.746 53 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 53 T C 2.053 176.664 174.700 -0.149 0.000 1.039 53 T CA 1.121 63.160 62.100 -0.103 0.000 1.142 53 T CB -0.347 68.406 68.868 -0.192 0.000 0.866 53 T HN 0.324 nan 8.240 nan 0.000 0.444 54 M N 0.556 120.099 119.600 -0.095 0.000 2.159 54 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 54 M C 2.311 178.585 176.300 -0.044 0.000 1.063 54 M CA 1.556 56.813 55.300 -0.072 0.000 1.110 54 M CB -0.323 32.255 32.600 -0.036 0.000 1.374 54 M HN 0.140 nan 8.290 nan 0.000 0.411 55 K N 0.435 120.820 120.400 -0.026 0.000 2.026 55 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 55 K C 1.973 178.569 176.600 -0.007 0.000 1.048 55 K CA 1.241 57.521 56.287 -0.011 0.000 0.929 55 K CB -0.365 32.134 32.500 -0.003 0.000 0.713 55 K HN 0.338 nan 8.250 nan 0.000 0.439 56 L N 1.289 122.512 121.223 0.000 0.000 2.027 56 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 56 L C 2.181 179.054 176.870 0.006 0.000 1.074 56 L CA 1.163 56.021 54.840 0.030 0.000 0.745 56 L CB -0.168 41.951 42.059 0.100 0.000 0.898 56 L HN 0.196 nan 8.230 nan 0.000 0.433 57 L N -0.675 120.520 121.223 -0.047 0.000 2.012 57 L HA -0.261 4.078 4.340 -0.000 0.000 0.210 57 L C 2.531 179.382 176.870 -0.032 0.000 1.073 57 L CA 1.984 56.794 54.840 -0.050 0.000 0.748 57 L CB -1.006 40.992 42.059 -0.101 0.000 0.891 57 L HN 0.307 nan 8.230 nan 0.000 0.431 58 T N -1.185 113.351 114.554 -0.030 0.000 2.720 58 T HA -0.266 4.083 4.350 -0.000 0.000 0.268 58 T C 1.860 176.540 174.700 -0.033 0.000 1.037 58 T CA 1.296 63.381 62.100 -0.024 0.000 1.144 58 T CB -0.217 68.641 68.868 -0.016 0.000 0.864 58 T HN 0.328 nan 8.240 nan 0.000 0.444 59 Q N 0.534 120.317 119.800 -0.028 0.000 2.364 59 Q HA 0.003 4.343 4.340 -0.000 0.000 0.207 59 Q C 1.788 177.748 176.000 -0.067 0.000 0.970 59 Q CA 0.880 56.663 55.803 -0.034 0.000 0.888 59 Q CB -0.232 28.500 28.738 -0.011 0.000 0.951 59 Q HN 0.521 nan 8.270 nan 0.000 0.469 60 L N -1.130 120.048 121.223 -0.075 0.000 2.592 60 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 60 L C 1.060 177.813 176.870 -0.196 0.000 1.127 60 L CA 0.559 55.311 54.840 -0.146 0.000 0.884 60 L CB 0.257 42.262 42.059 -0.091 0.000 1.065 60 L HN 0.374 nan 8.230 nan 0.000 0.457 61 G N 0.308 109.035 108.800 -0.122 0.000 2.141 61 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.195 61 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.195 61 G C 0.107 174.973 174.900 -0.055 0.000 1.012 61 G CA -0.072 44.965 45.100 -0.105 0.000 0.696 61 G HN 0.205 nan 8.290 nan 0.000 0.508 62 T N 0.617 115.151 114.554 -0.033 0.000 2.907 62 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 62 T C 0.283 174.988 174.700 0.008 0.000 1.004 62 T CA -0.267 61.834 62.100 0.002 0.000 1.063 62 T CB 1.554 70.427 68.868 0.009 0.000 0.992 62 T HN 0.273 nan 8.240 nan 0.000 0.483 63 K N 2.173 122.590 120.400 0.028 0.000 2.264 63 K HA 0.587 4.907 4.320 -0.000 0.000 0.277 63 K C -1.022 175.609 176.600 0.052 0.000 1.067 63 K CA -0.502 55.804 56.287 0.033 0.000 0.900 63 K CB 0.984 33.506 32.500 0.037 0.000 1.124 63 K HN 0.259 nan 8.250 nan 0.000 0.469 64 V N 3.040 122.980 119.914 0.045 0.000 2.823 64 V HA 0.469 4.589 4.120 -0.000 0.000 0.312 64 V C -0.432 175.710 176.094 0.079 0.000 1.072 64 V CA -0.828 61.510 62.300 0.063 0.000 0.937 64 V CB 1.908 33.746 31.823 0.025 0.000 1.013 64 V HN 0.913 nan 8.190 nan 0.000 0.430 65 E N 3.678 123.961 120.200 0.139 0.000 2.416 65 E HA 0.744 5.094 4.350 -0.000 0.000 0.280 65 E C -1.419 175.346 176.600 0.274 0.000 1.055 65 E CA -1.173 55.320 56.400 0.155 0.000 0.825 65 E CB 3.010 32.776 29.700 0.110 0.000 1.312 65 E HN 0.775 nan 8.360 nan 0.000 0.452 66 R N -0.260 120.394 120.500 0.256 0.000 2.781 66 R HA 0.397 4.737 4.340 -0.000 0.000 0.268 66 R C -0.650 175.826 176.300 0.293 0.000 1.047 66 R CA -0.286 55.999 56.100 0.308 0.000 0.925 66 R CB 0.385 30.757 30.300 0.120 0.000 1.246 66 R HN 0.517 nan 8.270 nan 0.000 0.456 67 D N 0.195 120.757 120.400 0.270 0.000 2.256 67 D HA 0.093 4.733 4.640 -0.000 0.000 0.279 67 D C 1.399 177.764 176.300 0.109 0.000 1.209 67 D CA 0.902 55.024 54.000 0.204 0.000 0.946 67 D CB -0.997 39.934 40.800 0.218 0.000 0.914 67 D HN 0.613 nan 8.370 nan 0.000 0.278 68 G N -1.066 107.773 108.800 0.065 0.000 2.744 68 G HA2 0.177 4.137 3.960 -0.000 0.000 0.211 68 G HA3 0.177 4.137 3.960 -0.000 0.000 0.211 68 G C 0.469 175.297 174.900 -0.120 0.000 1.146 68 G CA 0.195 45.286 45.100 -0.015 0.000 0.787 68 G HN 0.358 nan 8.290 nan 0.000 0.534 69 S N -1.161 114.385 115.700 -0.256 0.000 2.718 69 S HA 0.663 5.133 4.470 -0.000 0.000 0.300 69 S C -0.852 173.406 174.600 -0.570 0.000 1.117 69 S CA -0.493 57.361 58.200 -0.576 0.000 1.002 69 S CB 2.422 64.963 63.200 -1.098 0.000 1.092 69 S HN -0.054 nan 8.310 nan 0.000 0.542 70 V N 1.834 121.415 119.914 -0.555 0.000 2.407 70 V HA 0.347 4.467 4.120 -0.000 0.000 0.291 70 V C -1.066 174.843 176.094 -0.308 0.000 1.018 70 V CA -0.617 61.528 62.300 -0.258 0.000 0.842 70 V CB 1.122 32.854 31.823 -0.151 0.000 0.996 70 V HN 0.781 nan 8.190 nan 0.000 0.426 71 W N 5.529 126.829 121.300 -0.000 0.000 2.361 71 W HA 0.566 5.226 4.660 -0.000 0.000 0.309 71 W C -0.725 175.800 176.519 0.010 0.000 1.122 71 W CA -0.570 56.783 57.345 0.013 0.000 1.208 71 W CB 1.597 31.065 29.460 0.013 0.000 1.246 71 W HN 0.301 nan 8.180 nan 0.000 0.490 72 I N 3.187 123.867 120.570 0.183 0.000 2.509 72 I HA 0.155 4.325 4.170 -0.000 0.000 0.293 72 I C -0.504 175.692 176.117 0.133 0.000 1.020 72 I CA -0.586 60.789 61.300 0.125 0.000 1.088 72 I CB 1.890 39.936 38.000 0.076 0.000 1.267 72 I HN 0.286 nan 8.210 nan 0.000 0.430 73 D N 5.031 125.495 120.400 0.107 0.000 2.346 73 D HA 0.459 5.099 4.640 -0.000 0.000 0.255 73 D C 0.037 176.389 176.300 0.087 0.000 1.276 73 D CA -0.301 53.757 54.000 0.097 0.000 0.941 73 D CB 1.414 42.264 40.800 0.084 0.000 1.199 73 D HN 0.585 nan 8.370 nan 0.000 0.537 74 A N 2.456 125.339 122.820 0.104 0.000 2.579 74 A HA 0.224 4.544 4.320 -0.000 0.000 0.273 74 A C 1.763 179.436 177.584 0.149 0.000 1.363 74 A CA -0.130 51.982 52.037 0.125 0.000 0.953 74 A CB -0.123 18.973 19.000 0.160 0.000 1.034 74 A HN 0.413 nan 8.150 nan 0.000 0.536 75 S N 0.429 116.196 115.700 0.112 0.000 2.351 75 S HA -0.152 4.318 4.470 -0.000 0.000 0.220 75 S C 1.291 175.971 174.600 0.133 0.000 1.035 75 S CA 1.374 59.640 58.200 0.110 0.000 1.031 75 S CB -0.227 63.020 63.200 0.077 0.000 0.928 75 S HN 0.838 nan 8.310 nan 0.000 0.433 76 N N 1.437 120.194 118.700 0.095 0.000 3.114 76 N HA 0.249 4.989 4.740 -0.000 0.000 0.289 76 N C -1.319 174.204 175.510 0.022 0.000 1.519 76 N CA -0.283 52.814 53.050 0.078 0.000 1.026 76 N CB 0.402 38.914 38.487 0.042 0.000 1.306 76 N HN -0.008 nan 8.380 nan 0.000 0.495 77 V N 3.482 123.418 119.914 0.036 0.000 2.439 77 V HA 0.057 4.177 4.120 -0.000 0.000 0.271 77 V C 0.952 176.824 176.094 -0.370 0.000 1.040 77 V CA -0.266 61.926 62.300 -0.180 0.000 1.002 77 V CB 0.715 32.415 31.823 -0.206 0.000 1.000 77 V HN 0.658 nan 8.190 nan 0.000 0.477 78 N N 3.246 121.683 118.700 -0.439 0.000 2.171 78 N HA 0.079 4.819 4.740 -0.000 0.000 0.212 78 N C 0.087 175.055 175.510 -0.905 0.000 1.184 78 N CA -0.228 52.532 53.050 -0.482 0.000 0.888 78 N CB 0.265 38.626 38.487 -0.210 0.000 1.038 78 N HN 0.593 nan 8.380 nan 0.000 0.517 79 N N -0.224 117.830 118.700 -1.076 0.000 2.272 79 N HA 0.440 5.179 4.740 -0.000 0.000 0.305 79 N C -1.616 173.155 175.510 -1.231 0.000 1.103 79 N CA -0.685 51.789 53.050 -0.960 0.000 0.791 79 N CB 0.955 39.192 38.487 -0.416 0.000 1.356 79 N HN -0.031 nan 8.380 nan 0.000 0.486 80 F N 0.149 120.049 119.950 -0.083 0.000 2.790 80 F HA 0.352 4.878 4.527 -0.000 0.000 0.371 80 F C -0.078 175.734 175.800 0.020 0.000 1.293 80 F CA -0.602 57.367 58.000 -0.052 0.000 1.205 80 F CB 0.004 38.971 39.000 -0.055 0.000 1.047 80 F HN 0.341 nan 8.300 nan 0.000 0.510 81 S N 0.177 115.942 115.700 0.109 0.000 2.541 81 S HA 0.877 5.347 4.470 -0.000 0.000 0.280 81 S C -0.691 173.999 174.600 0.150 0.000 1.112 81 S CA -0.836 57.455 58.200 0.151 0.000 0.925 81 S CB 2.136 65.409 63.200 0.122 0.000 1.067 81 S HN 0.245 nan 8.310 nan 0.000 0.479 82 A N 3.673 126.610 122.820 0.195 0.000 2.341 82 A HA 0.708 5.028 4.320 -0.000 0.000 0.326 82 A C -2.445 175.266 177.584 0.211 0.000 1.402 82 A CA -1.940 50.193 52.037 0.160 0.000 0.957 82 A CB -0.072 18.997 19.000 0.116 0.000 1.151 82 A HN 0.677 nan 8.150 nan 0.000 0.533 83 P HA -0.074 nan 4.420 nan 0.000 0.269 83 P C 0.395 177.789 177.300 0.156 0.000 1.209 83 P CA 0.109 63.377 63.100 0.280 0.000 0.776 83 P CB 0.635 32.446 31.700 0.185 0.000 0.876 84 Y N 4.156 124.512 120.300 0.093 0.000 2.002 84 Y HA -0.325 4.225 4.550 -0.000 0.000 0.268 84 Y C 1.732 177.618 175.900 -0.023 0.000 1.177 84 Y CA 2.920 60.984 58.100 -0.061 0.000 1.111 84 Y CB -1.049 37.402 38.460 -0.015 0.000 0.952 84 Y HN 0.372 nan 8.280 nan 0.000 0.491 85 D N -0.306 120.086 120.400 -0.012 0.000 2.392 85 D HA -0.142 4.498 4.640 -0.000 0.000 0.228 85 D C 1.764 177.989 176.300 -0.126 0.000 1.003 85 D CA 0.910 54.840 54.000 -0.116 0.000 0.917 85 D CB -0.611 40.233 40.800 0.073 0.000 0.890 85 D HN 0.554 nan 8.370 nan 0.000 0.532 86 L N 0.031 121.191 121.223 -0.106 0.000 2.349 86 L HA 0.053 4.393 4.340 -0.000 0.000 0.200 86 L C 2.128 178.935 176.870 -0.105 0.000 1.064 86 L CA 0.249 55.050 54.840 -0.065 0.000 0.821 86 L CB 0.092 42.151 42.059 -0.000 0.000 1.027 86 L HN 0.088 nan 8.230 nan 0.000 0.476 87 V N -0.617 119.210 119.914 -0.146 0.000 2.970 87 V HA -0.194 3.926 4.120 -0.000 0.000 0.260 87 V C 2.206 178.158 176.094 -0.237 0.000 1.100 87 V CA 1.730 63.932 62.300 -0.164 0.000 1.122 87 V CB -0.870 30.851 31.823 -0.170 0.000 0.721 87 V HN 0.617 nan 8.190 nan 0.000 0.483 88 K N 1.636 121.818 120.400 -0.364 0.000 2.442 88 K HA -0.080 4.240 4.320 -0.000 0.000 0.198 88 K C 1.721 178.198 176.600 -0.206 0.000 1.042 88 K CA 1.637 57.700 56.287 -0.373 0.000 0.958 88 K CB -0.640 31.502 32.500 -0.596 0.000 0.766 88 K HN 0.656 nan 8.250 nan 0.000 0.474 89 T N -2.190 112.269 114.554 -0.158 0.000 3.022 89 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 89 T C 0.552 175.215 174.700 -0.063 0.000 1.060 89 T CA -0.415 61.627 62.100 -0.097 0.000 1.013 89 T CB 0.050 68.869 68.868 -0.082 0.000 0.982 89 T HN 0.262 nan 8.240 nan 0.000 0.508 90 M N 2.210 121.766 119.600 -0.075 0.000 2.356 90 M HA 0.317 4.797 4.480 -0.000 0.000 0.215 90 M C 0.532 176.771 176.300 -0.100 0.000 0.978 90 M CA -0.610 54.659 55.300 -0.053 0.000 0.972 90 M CB 1.312 33.919 32.600 0.011 0.000 2.529 90 M HN 0.128 nan 8.290 nan 0.000 0.447 91 R N 2.126 122.537 120.500 -0.148 0.000 2.237 91 R HA 0.053 4.393 4.340 -0.000 0.000 0.219 91 R C 1.055 177.160 176.300 -0.326 0.000 1.080 91 R CA 1.467 57.436 56.100 -0.219 0.000 0.995 91 R CB -0.372 29.799 30.300 -0.215 0.000 0.875 91 R HN 0.672 nan 8.270 nan 0.000 0.462 92 A N 1.800 124.434 122.820 -0.311 0.000 2.186 92 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 92 A C 2.095 179.377 177.584 -0.504 0.000 1.159 92 A CA 1.382 53.116 52.037 -0.505 0.000 0.680 92 A CB -0.472 18.407 19.000 -0.201 0.000 0.787 92 A HN 0.621 nan 8.150 nan 0.000 0.467 93 S N -0.349 115.186 115.700 -0.275 0.000 2.547 93 S HA -0.099 4.370 4.470 -0.000 0.000 0.235 93 S C 1.528 175.898 174.600 -0.383 0.000 0.980 93 S CA 0.921 58.974 58.200 -0.245 0.000 0.941 93 S CB -0.541 62.686 63.200 0.045 0.000 0.763 93 S HN 0.468 nan 8.310 nan 0.000 0.532 94 I N 1.031 121.341 120.570 -0.433 0.000 2.454 94 I HA -0.008 4.162 4.170 -0.000 0.000 0.254 94 I C 1.465 177.421 176.117 -0.267 0.000 1.156 94 I CA 0.570 61.651 61.300 -0.365 0.000 1.433 94 I CB -0.629 37.058 38.000 -0.521 0.000 1.082 94 I HN 0.341 nan 8.210 nan 0.000 0.432 95 W N 0.596 121.581 121.300 -0.525 0.000 2.848 95 W HA 0.070 4.730 4.660 -0.000 0.000 0.241 95 W C 2.281 178.598 176.519 -0.336 0.000 1.289 95 W CA 0.740 57.816 57.345 -0.449 0.000 1.396 95 W CB -1.147 27.957 29.460 -0.593 0.000 1.138 95 W HN 0.317 nan 8.180 nan 0.000 0.677 96 A N -0.497 122.259 122.820 -0.107 0.000 2.021 96 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 96 A C 1.940 179.645 177.584 0.201 0.000 1.163 96 A CA 0.647 52.816 52.037 0.220 0.000 0.676 96 A CB -0.568 18.623 19.000 0.319 0.000 0.818 96 A HN 0.121 nan 8.150 nan 0.000 0.453 97 L N 0.415 121.717 121.223 0.130 0.000 1.989 97 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 97 L C 2.427 179.389 176.870 0.154 0.000 1.071 97 L CA 2.421 57.342 54.840 0.135 0.000 0.749 97 L CB -1.089 41.026 42.059 0.094 0.000 0.890 97 L HN 0.322 nan 8.230 nan 0.000 0.431 98 G N -0.721 108.177 108.800 0.163 0.000 2.545 98 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 98 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 98 G C -0.607 174.378 174.900 0.142 0.000 1.218 98 G CA 1.059 46.246 45.100 0.146 0.000 0.787 98 G HN 0.384 nan 8.290 nan 0.000 0.571 99 P HA -0.041 nan 4.420 nan 0.000 0.215 99 P C 2.151 179.595 177.300 0.240 0.000 1.153 99 P CA 0.726 63.937 63.100 0.184 0.000 0.853 99 P CB -0.132 31.705 31.700 0.228 0.000 0.788 100 L N -0.938 120.464 121.223 0.298 0.000 2.012 100 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 100 L C 2.490 179.530 176.870 0.283 0.000 1.073 100 L CA 1.519 56.597 54.840 0.397 0.000 0.748 100 L CB -1.232 41.030 42.059 0.338 0.000 0.891 100 L HN -0.067 nan 8.230 nan 0.000 0.431 101 V N -0.179 119.831 119.914 0.161 0.000 2.427 101 V HA -0.194 3.925 4.120 -0.000 0.000 0.248 101 V C 2.562 178.683 176.094 0.046 0.000 1.051 101 V CA 1.750 64.098 62.300 0.081 0.000 1.048 101 V CB -0.043 31.817 31.823 0.061 0.000 0.666 101 V HN 0.409 nan 8.190 nan 0.000 0.456 102 A N -0.022 122.829 122.820 0.051 0.000 1.969 102 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 102 A C 2.433 179.983 177.584 -0.057 0.000 1.169 102 A CA 1.965 54.003 52.037 0.002 0.000 0.635 102 A CB -0.498 18.509 19.000 0.011 0.000 0.810 102 A HN 0.615 nan 8.150 nan 0.000 0.445 103 R N -2.413 118.038 120.500 -0.081 0.000 2.146 103 R HA 0.168 4.508 4.340 -0.000 0.000 0.206 103 R C 0.571 176.547 176.300 -0.541 0.000 1.049 103 R CA 0.670 56.569 56.100 -0.336 0.000 1.029 103 R CB 0.058 30.075 30.300 -0.472 0.000 0.949 103 R HN 0.445 nan 8.270 nan 0.000 0.471 104 F N -0.488 119.429 119.950 -0.055 0.000 2.682 104 F HA 0.404 4.931 4.527 -0.000 0.000 0.308 104 F C 1.285 176.938 175.800 -0.244 0.000 1.093 104 F CA 0.338 58.233 58.000 -0.175 0.000 1.244 104 F CB 1.376 40.172 39.000 -0.340 0.000 1.052 104 F HN 0.256 nan 8.300 nan 0.000 0.573 105 G N 1.118 109.899 108.800 -0.031 0.000 2.168 105 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 105 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 105 G C 0.094 174.953 174.900 -0.069 0.000 0.977 105 G CA 0.669 45.738 45.100 -0.052 0.000 0.659 105 G HN 0.537 nan 8.290 nan 0.000 0.533 106 Q N -1.908 117.830 119.800 -0.103 0.000 2.575 106 Q HA 0.668 5.008 4.340 -0.000 0.000 0.290 106 Q C -0.448 175.530 176.000 -0.036 0.000 0.963 106 Q CA -0.518 55.224 55.803 -0.101 0.000 0.783 106 Q CB 1.698 30.324 28.738 -0.186 0.000 1.467 106 Q HN 1.705 nan 8.270 nan 0.000 0.402 107 G N 0.961 109.793 108.800 0.054 0.000 2.429 107 G HA2 0.439 4.399 3.960 -0.000 0.000 0.300 107 G HA3 0.439 4.399 3.960 -0.000 0.000 0.300 107 G C -2.218 172.768 174.900 0.143 0.000 1.598 107 G CA -0.540 44.650 45.100 0.149 0.000 0.863 107 G HN 0.808 nan 8.290 nan 0.000 0.614 108 Q N -0.469 119.438 119.800 0.179 0.000 2.284 108 Q HA 0.716 5.056 4.340 -0.000 0.000 0.269 108 Q C -1.616 174.523 176.000 0.231 0.000 1.026 108 Q CA -1.109 54.810 55.803 0.194 0.000 0.831 108 Q CB 2.767 31.624 28.738 0.199 0.000 1.322 108 Q HN 0.551 nan 8.270 nan 0.000 0.419 109 V N 1.274 121.295 119.914 0.180 0.000 2.656 109 V HA 0.436 4.556 4.120 -0.000 0.000 0.307 109 V C -0.093 175.979 176.094 -0.036 0.000 1.051 109 V CA -0.810 61.548 62.300 0.097 0.000 0.893 109 V CB 1.946 33.780 31.823 0.019 0.000 0.999 109 V HN 0.909 nan 8.190 nan 0.000 0.426 110 S N 4.127 119.691 115.700 -0.227 0.000 2.525 110 S HA 0.195 4.665 4.470 -0.000 0.000 0.285 110 S C -0.062 174.383 174.600 -0.258 0.000 1.283 110 S CA -0.375 57.499 58.200 -0.542 0.000 1.072 110 S CB -0.038 62.861 63.200 -0.501 0.000 0.867 110 S HN 0.646 nan 8.310 nan 0.000 0.492 111 L N 8.120 129.220 121.223 -0.204 0.000 2.562 111 L HA 0.227 4.567 4.340 -0.000 0.000 0.271 111 L C -1.666 175.140 176.870 -0.106 0.000 1.167 111 L CA -1.452 53.317 54.840 -0.118 0.000 0.917 111 L CB 0.470 42.488 42.059 -0.069 0.000 1.187 111 L HN 0.594 nan 8.230 nan 0.000 0.482 112 P HA 0.094 nan 4.420 nan 0.000 0.268 112 P C -0.006 177.249 177.300 -0.075 0.000 1.205 112 P CA -0.228 62.797 63.100 -0.125 0.000 0.771 112 P CB 0.988 32.589 31.700 -0.165 0.000 0.858 113 G N 1.889 110.659 108.800 -0.050 0.000 2.504 113 G HA2 0.469 4.429 3.960 -0.000 0.000 0.257 113 G HA3 0.469 4.429 3.960 -0.000 0.000 0.257 113 G C 0.251 175.132 174.900 -0.031 0.000 1.451 113 G CA -0.400 44.689 45.100 -0.018 0.000 1.059 113 G HN 0.622 nan 8.290 nan 0.000 0.550 114 G N -2.139 106.651 108.800 -0.016 0.000 2.606 114 G HA2 0.406 4.366 3.960 -0.000 0.000 0.252 114 G HA3 0.406 4.366 3.960 -0.000 0.000 0.252 114 G C -0.388 174.494 174.900 -0.029 0.000 1.206 114 G CA 0.088 45.178 45.100 -0.018 0.000 0.861 114 G HN 0.710 nan 8.290 nan 0.000 0.561 115 C N -0.022 119.256 119.300 -0.036 0.000 2.630 115 C HA 0.712 5.172 4.460 -0.000 0.000 0.346 115 C C 1.968 176.928 174.990 -0.050 0.000 1.245 115 C CA 0.265 59.251 59.018 -0.054 0.000 1.804 115 C CB 1.217 28.901 27.740 -0.094 0.000 2.279 115 C HN 1.027 nan 8.230 nan 0.000 0.498 116 A N 1.597 124.384 122.820 -0.056 0.000 1.877 116 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 116 A C 1.715 179.255 177.584 -0.073 0.000 1.186 116 A CA 2.142 54.148 52.037 -0.051 0.000 0.620 116 A CB -0.734 18.233 19.000 -0.055 0.000 0.822 116 A HN 1.080 nan 8.150 nan 0.000 0.443 117 I N -4.129 116.360 120.570 -0.136 0.000 3.564 117 I HA 0.450 4.620 4.170 -0.000 0.000 0.294 117 I C 0.743 176.819 176.117 -0.068 0.000 1.289 117 I CA 0.477 61.685 61.300 -0.153 0.000 1.325 117 I CB -0.368 37.433 38.000 -0.331 0.000 1.039 117 I HN 0.298 nan 8.210 nan 0.000 0.474 118 G N -0.098 108.683 108.800 -0.032 0.000 2.340 118 G HA2 0.416 4.376 3.960 -0.000 0.000 0.298 118 G HA3 0.416 4.376 3.960 -0.000 0.000 0.298 118 G C 0.022 174.947 174.900 0.042 0.000 1.498 118 G CA -0.282 44.857 45.100 0.064 0.000 0.847 118 G HN 0.034 nan 8.290 nan 0.000 0.594 119 A N 0.028 122.876 122.820 0.045 0.000 2.067 119 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 119 A C 1.563 179.161 177.584 0.024 0.000 1.158 119 A CA 1.525 53.576 52.037 0.022 0.000 0.661 119 A CB -0.522 18.487 19.000 0.016 0.000 0.801 119 A HN 1.296 nan 8.150 nan 0.000 0.452 120 R N -0.885 119.657 120.500 0.069 0.000 3.038 120 R HA -0.135 4.204 4.340 -0.000 0.000 0.242 120 R C -2.225 174.086 176.300 0.018 0.000 0.866 120 R CA 0.421 56.569 56.100 0.080 0.000 0.601 120 R CB -1.851 28.494 30.300 0.075 0.000 1.107 120 R HN 0.544 nan 8.270 nan 0.000 0.492 121 P HA -0.007 nan 4.420 nan 0.000 0.271 121 P C 0.198 177.502 177.300 0.007 0.000 1.233 121 P CA -0.160 62.941 63.100 0.001 0.000 0.789 121 P CB 0.966 32.670 31.700 0.007 0.000 0.951 122 V N 0.831 120.742 119.914 -0.005 0.000 3.070 122 V HA -0.009 4.111 4.120 -0.000 0.000 0.345 122 V C 1.644 177.811 176.094 0.123 0.000 1.403 122 V CA 0.160 62.464 62.300 0.007 0.000 1.155 122 V CB -0.539 31.153 31.823 -0.219 0.000 1.140 122 V HN 0.614 nan 8.190 nan 0.000 0.505 123 D N 0.391 120.848 120.400 0.096 0.000 2.133 123 D HA -0.269 4.371 4.640 -0.000 0.000 0.195 123 D C 1.779 178.178 176.300 0.165 0.000 0.997 123 D CA 1.538 55.600 54.000 0.104 0.000 0.840 123 D CB -0.100 40.729 40.800 0.049 0.000 0.947 123 D HN 0.510 nan 8.370 nan 0.000 0.452 124 L N -0.016 121.298 121.223 0.152 0.000 2.141 124 L HA -0.126 4.213 4.340 -0.000 0.000 0.209 124 L C 2.829 179.825 176.870 0.210 0.000 1.094 124 L CA 0.924 55.855 54.840 0.151 0.000 0.763 124 L CB -0.653 41.429 42.059 0.040 0.000 0.908 124 L HN 0.134 nan 8.230 nan 0.000 0.437 125 H N 0.078 119.218 119.070 0.116 0.000 2.293 125 H HA -0.131 4.424 4.556 -0.000 0.000 0.300 125 H C 2.461 177.853 175.328 0.107 0.000 1.082 125 H CA 1.864 57.976 56.048 0.107 0.000 1.308 125 H CB 0.034 29.833 29.762 0.062 0.000 1.375 125 H HN 0.313 nan 8.280 nan 0.000 0.495 126 I N 0.398 121.116 120.570 0.246 0.000 2.179 126 I HA -0.293 3.876 4.170 -0.000 0.000 0.242 126 I C 2.581 178.786 176.117 0.147 0.000 1.088 126 I CA 1.184 62.578 61.300 0.158 0.000 1.357 126 I CB -0.398 37.678 38.000 0.127 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 1.946 121.926 119.950 0.050 0.000 2.091 127 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 127 F C 2.289 178.104 175.800 0.025 0.000 1.103 127 F CA 1.865 59.883 58.000 0.029 0.000 1.228 127 F CB -0.892 38.119 39.000 0.018 0.000 0.984 127 F HN -0.000 nan 8.300 nan 0.000 0.477 128 G N 0.914 109.724 108.800 0.018 0.000 2.421 128 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 128 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 128 G C 1.780 176.607 174.900 -0.122 0.000 1.171 128 G CA 1.131 46.170 45.100 -0.102 0.000 0.775 128 G HN 0.456 nan 8.290 nan 0.000 0.543 129 L N 0.066 121.271 121.223 -0.029 0.000 2.046 129 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 129 L C 2.900 179.731 176.870 -0.065 0.000 1.077 129 L CA 1.337 56.166 54.840 -0.019 0.000 0.747 129 L CB -0.487 41.593 42.059 0.035 0.000 0.896 129 L HN 0.309 nan 8.230 nan 0.000 0.432 130 E N -0.019 120.126 120.200 -0.093 0.000 2.085 130 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 130 E C 2.124 178.623 176.600 -0.167 0.000 0.994 130 E CA 0.919 57.254 56.400 -0.109 0.000 0.801 130 E CB 0.061 29.703 29.700 -0.097 0.000 0.743 130 E HN 0.305 nan 8.360 nan 0.000 0.453 131 K N 0.372 120.596 120.400 -0.294 0.000 2.283 131 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 131 K C 1.854 178.364 176.600 -0.150 0.000 1.048 131 K CA 0.665 56.781 56.287 -0.285 0.000 0.948 131 K CB 0.002 32.231 32.500 -0.452 0.000 0.742 131 K HN 0.245 nan 8.250 nan 0.000 0.458 132 L N -0.400 120.754 121.223 -0.116 0.000 2.591 132 L HA 0.068 4.408 4.340 -0.000 0.000 0.228 132 L C 1.126 177.966 176.870 -0.051 0.000 1.133 132 L CA 0.430 55.231 54.840 -0.066 0.000 0.880 132 L CB 0.024 42.055 42.059 -0.046 0.000 1.033 132 L HN 0.367 nan 8.230 nan 0.000 0.450 133 G N -0.393 108.373 108.800 -0.058 0.000 2.184 133 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 133 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 133 G C 0.374 175.256 174.900 -0.030 0.000 0.995 133 G CA -0.140 44.936 45.100 -0.041 0.000 0.651 133 G HN 0.421 nan 8.290 nan 0.000 0.511 134 A N 0.138 122.941 122.820 -0.028 0.000 2.407 134 A HA 0.638 4.958 4.320 -0.000 0.000 0.248 134 A C 0.325 177.904 177.584 -0.009 0.000 1.082 134 A CA 0.615 52.645 52.037 -0.012 0.000 0.785 134 A CB 0.531 19.532 19.000 0.001 0.000 1.020 134 A HN 0.587 nan 8.150 nan 0.000 0.489 135 E N 1.218 121.418 120.200 0.000 0.000 2.134 135 E HA 0.492 4.842 4.350 -0.000 0.000 0.278 135 E C -1.524 175.086 176.600 0.017 0.000 0.959 135 E CA -0.478 55.925 56.400 0.005 0.000 0.783 135 E CB 0.549 30.252 29.700 0.004 0.000 1.095 135 E HN 0.451 nan 8.360 nan 0.000 0.399 136 I N 5.086 125.670 120.570 0.023 0.000 2.433 136 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 136 I C -0.410 175.730 176.117 0.037 0.000 1.001 136 I CA -0.447 60.874 61.300 0.035 0.000 1.119 136 I CB 1.637 39.662 38.000 0.043 0.000 1.289 136 I HN 0.429 nan 8.210 nan 0.000 0.438 137 K N 5.280 125.705 120.400 0.042 0.000 2.477 137 K HA 0.803 5.123 4.320 -0.000 0.000 0.255 137 K C -1.683 174.949 176.600 0.053 0.000 0.952 137 K CA -1.004 55.308 56.287 0.042 0.000 0.826 137 K CB 2.510 35.031 32.500 0.036 0.000 1.331 137 K HN 0.355 nan 8.250 nan 0.000 0.437 138 L N 1.666 122.919 121.223 0.050 0.000 2.296 138 L HA 0.400 4.740 4.340 -0.000 0.000 0.286 138 L C -1.301 175.607 176.870 0.064 0.000 1.023 138 L CA 0.276 55.152 54.840 0.059 0.000 0.812 138 L CB 1.040 43.125 42.059 0.044 0.000 1.223 138 L HN 0.874 nan 8.230 nan 0.000 0.421 139 E N 3.303 123.559 120.200 0.093 0.000 2.311 139 E HA 0.373 4.723 4.350 -0.000 0.000 0.281 139 E C -0.928 175.755 176.600 0.138 0.000 0.905 139 E CA -0.629 55.823 56.400 0.086 0.000 0.778 139 E CB 1.073 30.808 29.700 0.059 0.000 1.240 139 E HN 0.656 nan 8.360 nan 0.000 0.410 140 E N 1.549 121.815 120.200 0.109 0.000 2.791 140 E HA -0.294 4.056 4.350 -0.000 0.000 0.271 140 E C 0.682 177.415 176.600 0.222 0.000 1.044 140 E CA 0.668 57.151 56.400 0.138 0.000 0.814 140 E CB -1.732 28.045 29.700 0.129 0.000 1.400 140 E HN 1.300 nan 8.360 nan 0.000 0.423 141 G N -0.786 108.091 108.800 0.127 0.000 2.159 141 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.256 141 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.256 141 G C -0.319 174.534 174.900 -0.079 0.000 0.977 141 G CA 0.502 45.615 45.100 0.021 0.000 0.652 141 G HN 0.275 nan 8.290 nan 0.000 0.531 142 Y N -0.471 119.851 120.300 0.036 0.000 2.328 142 Y HA 0.524 5.073 4.550 -0.000 0.000 0.336 142 Y C 0.533 176.454 175.900 0.034 0.000 0.960 142 Y CA -0.775 57.351 58.100 0.043 0.000 1.134 142 Y CB 2.053 40.541 38.460 0.045 0.000 1.166 142 Y HN 0.357 nan 8.280 nan 0.000 0.464 143 V N 5.580 125.558 119.914 0.106 0.000 2.415 143 V HA 0.295 4.415 4.120 -0.000 0.000 0.267 143 V C -0.554 175.611 176.094 0.118 0.000 1.042 143 V CA -0.392 61.959 62.300 0.085 0.000 1.000 143 V CB -0.165 31.681 31.823 0.039 0.000 1.015 143 V HN 0.691 nan 8.190 nan 0.000 0.478 144 K N 6.353 126.818 120.400 0.110 0.000 2.240 144 K HA 0.772 5.092 4.320 -0.000 0.000 0.271 144 K C -0.284 176.357 176.600 0.070 0.000 1.018 144 K CA -0.194 56.153 56.287 0.099 0.000 0.874 144 K CB 1.926 34.478 32.500 0.087 0.000 1.098 144 K HN 0.860 nan 8.250 nan 0.000 0.458 145 A N 1.870 124.730 122.820 0.067 0.000 2.355 145 A HA 0.738 5.058 4.320 -0.000 0.000 0.324 145 A C -0.619 176.985 177.584 0.032 0.000 1.117 145 A CA -0.604 51.462 52.037 0.049 0.000 0.785 145 A CB 1.225 20.259 19.000 0.057 0.000 1.254 145 A HN 0.715 nan 8.150 nan 0.000 0.453 146 S N -0.210 115.500 115.700 0.017 0.000 2.596 146 S HA 0.788 5.258 4.470 -0.000 0.000 0.270 146 S C -1.335 173.262 174.600 -0.005 0.000 1.155 146 S CA -0.452 57.748 58.200 -0.000 0.000 0.827 146 S CB 1.340 64.538 63.200 -0.004 0.000 1.130 146 S HN 2.152 nan 8.310 nan 0.000 0.467 147 V N 0.945 120.850 119.914 -0.015 0.000 2.924 147 V HA 0.575 4.695 4.120 -0.000 0.000 0.300 147 V C -1.845 174.236 176.094 -0.022 0.000 1.227 147 V CA -0.650 61.640 62.300 -0.017 0.000 0.954 147 V CB 2.146 33.959 31.823 -0.017 0.000 1.055 147 V HN 1.050 nan 8.190 nan 0.000 0.429 148 N N 4.227 122.915 118.700 -0.019 0.000 2.415 148 N HA 0.668 5.408 4.740 -0.000 0.000 0.246 148 N C 0.274 175.771 175.510 -0.022 0.000 1.078 148 N CA 1.524 54.563 53.050 -0.019 0.000 0.942 148 N CB 1.159 39.638 38.487 -0.015 0.000 1.140 148 N HN 1.420 nan 8.380 nan 0.000 0.501 149 G N 1.874 110.659 108.800 -0.026 0.000 2.568 149 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.222 149 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.222 149 G C -0.554 174.325 174.900 -0.035 0.000 1.321 149 G CA -0.778 44.304 45.100 -0.030 0.000 0.893 149 G HN 0.571 nan 8.290 nan 0.000 0.569 150 R N -0.695 119.784 120.500 -0.037 0.000 2.577 150 R HA 0.567 4.907 4.340 -0.000 0.000 0.269 150 R C 0.695 176.976 176.300 -0.033 0.000 1.084 150 R CA -0.575 55.501 56.100 -0.040 0.000 1.163 150 R CB 0.353 30.628 30.300 -0.042 0.000 1.100 150 R HN 0.457 nan 8.270 nan 0.000 0.547 151 L N 1.457 122.661 121.223 -0.032 0.000 2.453 151 L HA 0.233 4.573 4.340 -0.000 0.000 0.261 151 L C 0.403 177.256 176.870 -0.029 0.000 1.179 151 L CA 0.100 54.923 54.840 -0.028 0.000 0.813 151 L CB 0.342 42.386 42.059 -0.025 0.000 1.110 151 L HN 0.337 nan 8.230 nan 0.000 0.466 152 K N 0.400 120.783 120.400 -0.028 0.000 2.221 152 K HA 0.404 4.724 4.320 -0.000 0.000 0.258 152 K C -0.049 176.535 176.600 -0.026 0.000 0.944 152 K CA -0.655 55.616 56.287 -0.026 0.000 0.823 152 K CB 1.795 34.281 32.500 -0.024 0.000 1.113 152 K HN 0.736 nan 8.250 nan 0.000 0.431 153 G N 0.993 109.779 108.800 -0.024 0.000 2.484 153 G HA2 0.381 4.341 3.960 -0.000 0.000 0.235 153 G HA3 0.381 4.341 3.960 -0.000 0.000 0.235 153 G C -0.665 174.227 174.900 -0.013 0.000 1.282 153 G CA -0.113 44.975 45.100 -0.021 0.000 0.857 153 G HN 0.620 nan 8.290 nan 0.000 0.571 154 A N 0.994 123.812 122.820 -0.002 0.000 2.609 154 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 154 A C -0.979 176.655 177.584 0.083 0.000 1.096 154 A CA -0.713 51.337 52.037 0.022 0.000 0.684 154 A CB 1.064 20.057 19.000 -0.011 0.000 1.282 154 A HN 0.942 nan 8.150 nan 0.000 0.412 155 H N 0.884 119.943 119.070 -0.017 0.000 2.690 155 H HA 0.606 5.162 4.556 -0.000 0.000 0.289 155 H C -1.031 174.303 175.328 0.010 0.000 1.089 155 H CA -0.462 55.586 56.048 -0.001 0.000 1.299 155 H CB 0.221 29.986 29.762 0.004 0.000 1.405 155 H HN 0.469 nan 8.280 nan 0.000 0.463 156 I N 6.275 126.938 120.570 0.154 0.000 2.362 156 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 156 I C -0.500 175.667 176.117 0.083 0.000 0.994 156 I CA -0.984 60.366 61.300 0.083 0.000 1.158 156 I CB 1.818 39.862 38.000 0.073 0.000 1.315 156 I HN 0.284 nan 8.210 nan 0.000 0.451 157 V N 6.623 126.580 119.914 0.071 0.000 2.370 157 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 157 V C 0.405 176.541 176.094 0.070 0.000 1.029 157 V CA -0.601 61.713 62.300 0.024 0.000 0.870 157 V CB 1.389 33.176 31.823 -0.060 0.000 0.984 157 V HN 0.617 nan 8.190 nan 0.000 0.451 158 M N 4.021 123.645 119.600 0.039 0.000 2.162 158 M HA 0.237 4.717 4.480 -0.000 0.000 0.356 158 M C 0.686 176.944 176.300 -0.070 0.000 1.303 158 M CA -0.220 55.075 55.300 -0.009 0.000 1.116 158 M CB 0.783 33.388 32.600 0.009 0.000 1.632 158 M HN 0.825 nan 8.290 nan 0.000 0.469 159 D N 1.075 121.389 120.400 -0.144 0.000 2.349 159 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 159 D C 0.234 176.474 176.300 -0.100 0.000 1.029 159 D CA 0.392 54.316 54.000 -0.127 0.000 0.879 159 D CB 0.368 41.066 40.800 -0.171 0.000 0.906 159 D HN 0.511 nan 8.370 nan 0.000 0.528 160 K N -0.105 120.240 120.400 -0.092 0.000 2.527 160 K HA 0.411 4.731 4.320 -0.000 0.000 0.260 160 K C -1.684 174.882 176.600 -0.056 0.000 0.937 160 K CA -0.935 55.307 56.287 -0.075 0.000 0.826 160 K CB 2.272 34.721 32.500 -0.085 0.000 1.359 160 K HN -0.167 nan 8.250 nan 0.000 0.434 161 V N 2.770 122.655 119.914 -0.048 0.000 2.427 161 V HA 0.285 4.405 4.120 -0.000 0.000 0.268 161 V C -0.292 175.781 176.094 -0.034 0.000 1.046 161 V CA -0.114 62.167 62.300 -0.031 0.000 0.970 161 V CB 0.837 32.646 31.823 -0.023 0.000 1.001 161 V HN 0.691 nan 8.190 nan 0.000 0.476 162 S N 4.176 119.865 115.700 -0.018 0.000 2.647 162 S HA 0.415 4.885 4.470 -0.000 0.000 0.300 162 S C 0.555 175.173 174.600 0.030 0.000 1.129 162 S CA -0.622 57.575 58.200 -0.004 0.000 1.029 162 S CB 1.871 65.060 63.200 -0.019 0.000 1.007 162 S HN 0.322 nan 8.310 nan 0.000 0.484 163 V N 5.482 125.441 119.914 0.075 0.000 2.261 163 V HA -0.016 4.104 4.120 -0.000 0.000 0.246 163 V C 2.693 178.920 176.094 0.221 0.000 1.047 163 V CA 2.565 64.943 62.300 0.130 0.000 1.015 163 V CB -1.293 30.629 31.823 0.165 0.000 0.642 163 V HN 0.954 nan 8.190 nan 0.000 0.446 164 G N -0.367 108.613 108.800 0.300 0.000 2.459 164 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 164 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 164 G C 1.790 176.775 174.900 0.141 0.000 1.183 164 G CA 1.202 46.614 45.100 0.519 0.000 0.776 164 G HN 0.621 nan 8.290 nan 0.000 0.552 165 A N 0.090 122.673 122.820 -0.395 0.000 1.908 165 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 165 A C 2.526 180.010 177.584 -0.167 0.000 1.181 165 A CA 2.528 54.188 52.037 -0.628 0.000 0.627 165 A CB -1.014 17.765 19.000 -0.369 0.000 0.818 165 A HN 0.317 nan 8.150 nan 0.000 0.445 166 T N -0.364 114.162 114.554 -0.046 0.000 2.720 166 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 166 T C 1.871 176.570 174.700 -0.002 0.000 1.037 166 T CA 1.578 63.676 62.100 -0.005 0.000 1.144 166 T CB -0.412 68.464 68.868 0.013 0.000 0.864 166 T HN 0.174 nan 8.240 nan 0.000 0.444 167 V N 1.351 121.278 119.914 0.022 0.000 2.295 167 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 167 V C 2.799 178.871 176.094 -0.036 0.000 1.049 167 V CA 2.036 64.292 62.300 -0.072 0.000 1.024 167 V CB -1.153 30.506 31.823 -0.274 0.000 0.648 167 V HN 0.502 nan 8.190 nan 0.000 0.447 168 T N 0.414 115.034 114.554 0.111 0.000 2.652 168 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 168 T C 1.790 176.536 174.700 0.076 0.000 1.039 168 T CA 2.110 64.314 62.100 0.174 0.000 1.153 168 T CB -0.313 68.739 68.868 0.308 0.000 0.863 168 T HN 0.347 nan 8.240 nan 0.000 0.428 169 I N 0.654 121.246 120.570 0.036 0.000 2.202 169 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 169 I C 2.607 178.728 176.117 0.008 0.000 1.091 169 I CA 1.309 62.622 61.300 0.021 0.000 1.368 169 I CB -0.410 37.599 38.000 0.016 0.000 1.058 169 I HN 0.256 nan 8.210 nan 0.000 0.410 170 M N 0.396 119.994 119.600 -0.003 0.000 2.108 170 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 170 M C 2.424 178.711 176.300 -0.021 0.000 1.066 170 M CA 1.904 57.194 55.300 -0.016 0.000 1.107 170 M CB -0.022 32.562 32.600 -0.027 0.000 1.356 170 M HN 0.126 nan 8.290 nan 0.000 0.406 171 S N 0.731 116.419 115.700 -0.019 0.000 2.348 171 S HA -0.066 4.404 4.470 -0.000 0.000 0.221 171 S C 2.031 176.634 174.600 0.004 0.000 1.033 171 S CA 1.342 59.535 58.200 -0.011 0.000 1.010 171 S CB -0.557 62.642 63.200 -0.001 0.000 0.891 171 S HN 0.699 nan 8.310 nan 0.000 0.442 172 A N 1.467 124.299 122.820 0.021 0.000 1.933 172 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 172 A C 2.294 179.876 177.584 -0.003 0.000 1.175 172 A CA 1.652 53.701 52.037 0.020 0.000 0.628 172 A CB -0.963 18.058 19.000 0.034 0.000 0.814 172 A HN 0.516 nan 8.150 nan 0.000 0.444 173 A N -0.102 122.712 122.820 -0.009 0.000 2.019 173 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 173 A C 2.340 179.906 177.584 -0.029 0.000 1.164 173 A CA 2.244 54.270 52.037 -0.019 0.000 0.644 173 A CB -1.364 17.626 19.000 -0.017 0.000 0.805 173 A HN 0.806 nan 8.150 nan 0.000 0.449 174 T N -1.906 112.627 114.554 -0.034 0.000 2.849 174 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 174 T C 1.294 175.963 174.700 -0.051 0.000 1.066 174 T CA 1.474 63.545 62.100 -0.048 0.000 1.130 174 T CB -0.359 68.472 68.868 -0.061 0.000 0.864 174 T HN 0.325 nan 8.240 nan 0.000 0.481 175 L N 0.583 121.778 121.223 -0.047 0.000 2.769 175 L HA 0.542 4.882 4.340 -0.000 0.000 0.240 175 L C 1.280 178.122 176.870 -0.048 0.000 1.163 175 L CA -0.589 54.218 54.840 -0.055 0.000 0.962 175 L CB -0.288 41.732 42.059 -0.067 0.000 1.258 175 L HN 0.306 nan 8.230 nan 0.000 0.513 176 A N 0.267 123.064 122.820 -0.039 0.000 2.287 176 A HA 0.247 4.567 4.320 -0.000 0.000 0.273 176 A C 0.090 177.653 177.584 -0.035 0.000 1.091 176 A CA -0.247 51.769 52.037 -0.035 0.000 0.817 176 A CB 0.437 19.419 19.000 -0.029 0.000 1.069 176 A HN 0.256 nan 8.150 nan 0.000 0.492 177 E N -0.048 120.132 120.200 -0.032 0.000 2.046 177 E HA 0.467 4.817 4.350 -0.000 0.000 0.279 177 E C 0.469 177.052 176.600 -0.028 0.000 0.989 177 E CA 0.741 57.123 56.400 -0.030 0.000 0.798 177 E CB 0.191 29.874 29.700 -0.028 0.000 1.086 177 E HN 1.332 nan 8.360 nan 0.000 0.399 178 G N 2.676 111.459 108.800 -0.028 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 -0.572 174.309 174.900 -0.030 0.000 1.261 178 G CA -0.598 44.485 45.100 -0.028 0.000 1.000 178 G HN 0.457 nan 8.290 nan 0.000 0.515 179 T N 1.118 115.653 114.554 -0.032 0.000 2.824 179 T HA 0.706 5.056 4.350 -0.000 0.000 0.280 179 T C -0.006 174.674 174.700 -0.034 0.000 0.995 179 T CA 0.216 62.294 62.100 -0.037 0.000 1.009 179 T CB 1.546 70.386 68.868 -0.046 0.000 0.955 179 T HN 0.741 nan 8.240 nan 0.000 0.452 180 T N 3.483 118.019 114.554 -0.029 0.000 2.855 180 T HA 0.660 5.010 4.350 -0.000 0.000 0.281 180 T C -0.372 174.319 174.700 -0.015 0.000 1.007 180 T CA -0.529 61.562 62.100 -0.014 0.000 1.009 180 T CB 0.724 69.587 68.868 -0.008 0.000 0.983 180 T HN 0.410 nan 8.240 nan 0.000 0.455 181 I N 3.184 123.762 120.570 0.014 0.000 2.478 181 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 181 I C -0.709 175.492 176.117 0.140 0.000 1.042 181 I CA -0.753 60.564 61.300 0.028 0.000 1.067 181 I CB 1.774 39.703 38.000 -0.118 0.000 1.233 181 I HN 0.465 nan 8.210 nan 0.000 0.431 182 I N 5.944 126.569 120.570 0.092 0.000 2.307 182 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 182 I C 0.110 176.285 176.117 0.097 0.000 1.021 182 I CA -0.576 60.780 61.300 0.095 0.000 1.224 182 I CB 0.803 38.835 38.000 0.054 0.000 1.376 182 I HN 0.437 nan 8.210 nan 0.000 0.470 183 E N 4.907 125.173 120.200 0.110 0.000 2.301 183 E HA 0.108 4.458 4.350 -0.000 0.000 0.275 183 E C 0.195 176.822 176.600 0.043 0.000 1.030 183 E CA -0.345 56.103 56.400 0.081 0.000 0.852 183 E CB 1.000 30.733 29.700 0.056 0.000 1.060 183 E HN 0.548 nan 8.360 nan 0.000 0.401 184 N N 0.493 119.212 118.700 0.031 0.000 2.740 184 N HA -0.226 4.514 4.740 -0.000 0.000 0.248 184 N C -1.138 174.382 175.510 0.017 0.000 1.062 184 N CA 0.795 53.855 53.050 0.015 0.000 0.704 184 N CB -0.816 37.671 38.487 -0.001 0.000 0.968 184 N HN 0.569 nan 8.380 nan 0.000 0.547 185 A N -0.084 122.752 122.820 0.026 0.000 2.332 185 A HA 0.714 5.034 4.320 -0.000 0.000 0.258 185 A C 0.877 178.475 177.584 0.023 0.000 1.087 185 A CA 0.118 52.170 52.037 0.024 0.000 0.802 185 A CB 0.375 19.391 19.000 0.026 0.000 1.042 185 A HN 0.862 nan 8.150 nan 0.000 0.489 186 A N 0.597 123.431 122.820 0.024 0.000 2.425 186 A HA 0.481 4.801 4.320 -0.000 0.000 0.249 186 A C 0.767 178.376 177.584 0.042 0.000 1.084 186 A CA -0.276 51.781 52.037 0.033 0.000 0.781 186 A CB 0.043 19.065 19.000 0.037 0.000 1.019 186 A HN 0.780 nan 8.150 nan 0.000 0.490 187 R N 0.559 121.100 120.500 0.067 0.000 2.334 187 R HA 0.150 4.490 4.340 -0.000 0.000 0.216 187 R C -0.232 176.131 176.300 0.104 0.000 0.905 187 R CA -0.073 56.083 56.100 0.092 0.000 1.064 187 R CB -0.029 30.340 30.300 0.114 0.000 1.046 187 R HN 0.791 nan 8.270 nan 0.000 0.508 188 E N 1.155 121.381 120.200 0.044 0.000 2.604 188 E HA -0.104 4.246 4.350 -0.000 0.000 0.267 188 E C -1.627 174.867 176.600 -0.177 0.000 0.970 188 E CA -0.555 55.766 56.400 -0.133 0.000 0.956 188 E CB 0.366 30.026 29.700 -0.068 0.000 0.939 188 E HN -0.052 nan 8.360 nan 0.000 0.465 189 P HA -0.157 nan 4.420 nan 0.000 0.218 189 P C 0.342 177.585 177.300 -0.094 0.000 1.148 189 P CA 1.176 64.164 63.100 -0.187 0.000 0.822 189 P CB 0.289 31.850 31.700 -0.231 0.000 0.784 190 E N -0.964 119.179 120.200 -0.094 0.000 2.150 190 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 190 E C 1.927 178.492 176.600 -0.058 0.000 0.985 190 E CA 0.790 57.155 56.400 -0.058 0.000 0.814 190 E CB -0.835 28.841 29.700 -0.039 0.000 0.752 190 E HN 0.198 nan 8.360 nan 0.000 0.466 191 I N 0.168 120.708 120.570 -0.051 0.000 2.252 191 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 191 I C 2.095 178.191 176.117 -0.035 0.000 1.102 191 I CA 0.898 62.172 61.300 -0.044 0.000 1.385 191 I CB -0.924 37.064 38.000 -0.019 0.000 1.064 191 I HN 0.023 nan 8.210 nan 0.000 0.414 192 V N 0.980 120.882 119.914 -0.021 0.000 2.343 192 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 192 V C 2.265 178.366 176.094 0.013 0.000 1.051 192 V CA 2.126 64.426 62.300 -0.000 0.000 1.036 192 V CB -0.679 31.151 31.823 0.011 0.000 0.654 192 V HN 0.304 nan 8.190 nan 0.000 0.451 193 D N -0.247 120.164 120.400 0.019 0.000 2.117 193 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 193 D C 2.274 178.543 176.300 -0.051 0.000 0.987 193 D CA 1.734 55.775 54.000 0.068 0.000 0.829 193 D CB -0.120 40.730 40.800 0.084 0.000 0.961 193 D HN 0.393 nan 8.370 nan 0.000 0.460 194 T N -0.348 114.157 114.554 -0.080 0.000 2.821 194 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 194 T C 1.914 176.572 174.700 -0.069 0.000 1.046 194 T CA 1.265 63.304 62.100 -0.100 0.000 1.139 194 T CB -0.381 68.402 68.868 -0.141 0.000 0.871 194 T HN 0.203 nan 8.240 nan 0.000 0.454 195 A N 2.674 125.454 122.820 -0.066 0.000 1.877 195 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 195 A C 2.235 179.768 177.584 -0.085 0.000 1.186 195 A CA 1.548 53.547 52.037 -0.062 0.000 0.620 195 A CB -0.651 18.326 19.000 -0.037 0.000 0.822 195 A HN 0.389 nan 8.150 nan 0.000 0.443 196 N N -1.005 117.655 118.700 -0.068 0.000 2.289 196 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 196 N C 1.358 176.732 175.510 -0.226 0.000 1.016 196 N CA 1.397 54.419 53.050 -0.045 0.000 0.872 196 N CB -0.586 37.986 38.487 0.142 0.000 0.973 196 N HN 0.568 nan 8.380 nan 0.000 0.433 197 F N 1.758 121.291 119.950 -0.695 0.000 2.113 197 F HA -0.003 4.524 4.527 -0.000 0.000 0.297 197 F C 1.990 177.576 175.800 -0.356 0.000 1.103 197 F CA 0.949 58.425 58.000 -0.873 0.000 1.248 197 F CB -0.511 37.970 39.000 -0.865 0.000 0.999 197 F HN -0.101 nan 8.300 nan 0.000 0.475 198 L N -0.413 120.547 121.223 -0.438 0.000 2.042 198 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 198 L C 2.417 179.093 176.870 -0.322 0.000 1.076 198 L CA 1.148 55.736 54.840 -0.421 0.000 0.749 198 L CB -0.945 40.997 42.059 -0.194 0.000 0.893 198 L HN 0.025 nan 8.230 nan 0.000 0.432 199 V N 0.076 119.861 119.914 -0.215 0.000 2.490 199 V HA -0.286 3.834 4.120 -0.000 0.000 0.250 199 V C 2.697 178.708 176.094 -0.138 0.000 1.061 199 V CA 1.726 63.944 62.300 -0.136 0.000 1.064 199 V CB -0.826 30.953 31.823 -0.073 0.000 0.670 199 V HN 0.495 nan 8.190 nan 0.000 0.461 200 A N -0.488 122.228 122.820 -0.172 0.000 2.015 200 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 200 A C 2.062 179.541 177.584 -0.175 0.000 1.163 200 A CA 1.285 53.255 52.037 -0.112 0.000 0.646 200 A CB -0.397 18.594 19.000 -0.015 0.000 0.806 200 A HN 0.535 nan 8.150 nan 0.000 0.448 201 L N -1.658 119.377 121.223 -0.313 0.000 2.599 201 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 201 L C 1.667 178.436 176.870 -0.168 0.000 1.141 201 L CA 0.637 55.315 54.840 -0.272 0.000 0.877 201 L CB -0.042 41.773 42.059 -0.407 0.000 1.009 201 L HN 0.591 nan 8.230 nan 0.000 0.447 202 G N -0.672 108.041 108.800 -0.144 0.000 2.229 202 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.189 202 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.189 202 G C 0.404 175.246 174.900 -0.095 0.000 1.000 202 G CA -0.173 44.868 45.100 -0.099 0.000 0.663 202 G HN 0.406 nan 8.290 nan 0.000 0.493 203 A N 0.184 122.931 122.820 -0.121 0.000 2.406 203 A HA 0.623 4.943 4.320 -0.000 0.000 0.243 203 A C 0.447 177.984 177.584 -0.078 0.000 1.082 203 A CA 0.534 52.511 52.037 -0.101 0.000 0.786 203 A CB 0.297 19.225 19.000 -0.119 0.000 1.029 203 A HN 0.378 nan 8.150 nan 0.000 0.495 204 K N 1.195 121.558 120.400 -0.062 0.000 2.404 204 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 204 K C -1.382 175.191 176.600 -0.045 0.000 1.026 204 K CA 0.291 56.549 56.287 -0.049 0.000 0.951 204 K CB 0.967 33.443 32.500 -0.042 0.000 1.203 204 K HN 0.586 nan 8.250 nan 0.000 0.446 205 I N 1.294 121.839 120.570 -0.042 0.000 2.647 205 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 205 I C -0.365 175.737 176.117 -0.026 0.000 1.078 205 I CA -0.793 60.485 61.300 -0.035 0.000 1.048 205 I CB 2.355 40.331 38.000 -0.041 0.000 1.239 205 I HN 0.550 nan 8.210 nan 0.000 0.421 206 S N 2.004 117.691 115.700 -0.020 0.000 2.556 206 S HA 0.818 5.288 4.470 -0.000 0.000 0.271 206 S C 0.136 174.731 174.600 -0.009 0.000 1.135 206 S CA 0.012 58.203 58.200 -0.013 0.000 0.858 206 S CB 2.024 65.215 63.200 -0.014 0.000 1.114 206 S HN 1.395 nan 8.310 nan 0.000 0.468 207 G N 0.811 109.609 108.800 -0.003 0.000 2.213 207 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 0.141 175.045 174.900 0.007 0.000 0.991 207 G CA 0.080 45.181 45.100 0.002 0.000 0.629 207 G HN 1.341 nan 8.290 nan 0.000 0.517 208 Q N 0.552 120.354 119.800 0.004 0.000 2.283 208 Q HA 0.364 4.704 4.340 -0.000 0.000 0.301 208 Q C 1.182 177.192 176.000 0.016 0.000 1.063 208 Q CA 1.265 57.072 55.803 0.006 0.000 0.952 208 Q CB 0.799 29.537 28.738 -0.001 0.000 1.166 208 Q HN 1.897 nan 8.270 nan 0.000 0.381 209 G N 2.241 111.055 108.800 0.024 0.000 2.232 209 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 209 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 209 G C 0.261 175.187 174.900 0.043 0.000 0.996 209 G CA 0.309 45.434 45.100 0.041 0.000 0.626 209 G HN 1.155 nan 8.290 nan 0.000 0.509 210 T N -1.494 113.078 114.554 0.030 0.000 2.919 210 T HA 0.559 4.909 4.350 -0.000 0.000 0.282 210 T C 0.670 175.385 174.700 0.026 0.000 1.020 210 T CA 0.582 62.697 62.100 0.025 0.000 0.994 210 T CB 1.650 70.529 68.868 0.018 0.000 1.180 210 T HN 0.207 nan 8.240 nan 0.000 0.566 211 D N -1.084 119.330 120.400 0.023 0.000 2.319 211 D HA 0.133 4.773 4.640 -0.000 0.000 0.230 211 D C 0.523 176.841 176.300 0.030 0.000 1.094 211 D CA -0.300 53.714 54.000 0.024 0.000 0.856 211 D CB -0.156 40.656 40.800 0.019 0.000 0.915 211 D HN 0.582 nan 8.370 nan 0.000 0.517 212 R N 0.739 121.256 120.500 0.029 0.000 2.539 212 R HA 0.434 4.774 4.340 -0.000 0.000 0.295 212 R C -1.763 174.550 176.300 0.022 0.000 1.138 212 R CA -0.512 55.609 56.100 0.035 0.000 0.936 212 R CB 0.490 30.811 30.300 0.036 0.000 1.182 212 R HN 0.028 nan 8.270 nan 0.000 0.459 213 I N 3.637 124.221 120.570 0.023 0.000 2.377 213 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 213 I C -0.318 175.801 176.117 0.003 0.000 0.987 213 I CA -0.832 60.474 61.300 0.010 0.000 1.185 213 I CB 2.389 40.394 38.000 0.008 0.000 1.341 213 I HN 0.596 nan 8.210 nan 0.000 0.455 214 T N 7.112 121.660 114.554 -0.011 0.000 2.779 214 T HA 0.631 4.981 4.350 -0.000 0.000 0.280 214 T C -0.382 174.303 174.700 -0.025 0.000 0.987 214 T CA -0.309 61.777 62.100 -0.023 0.000 0.966 214 T CB 0.998 69.846 68.868 -0.033 0.000 0.933 214 T HN 0.170 nan 8.240 nan 0.000 0.442 215 I N 2.501 123.055 120.570 -0.027 0.000 2.465 215 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 215 I C 0.163 176.260 176.117 -0.034 0.000 1.014 215 I CA -0.580 60.702 61.300 -0.030 0.000 1.093 215 I CB 1.955 39.938 38.000 -0.028 0.000 1.267 215 I HN 0.542 nan 8.210 nan 0.000 0.431 216 E N 4.730 124.909 120.200 -0.036 0.000 2.102 216 E HA 0.513 4.863 4.350 -0.000 0.000 0.263 216 E C 0.114 176.691 176.600 -0.038 0.000 0.894 216 E CA -0.632 55.746 56.400 -0.036 0.000 0.746 216 E CB 1.143 30.822 29.700 -0.035 0.000 1.129 216 E HN 0.849 nan 8.360 nan 0.000 0.416 217 G N 2.347 111.124 108.800 -0.037 0.000 2.562 217 G HA2 0.263 4.223 3.960 -0.000 0.000 0.233 217 G HA3 0.263 4.223 3.960 -0.000 0.000 0.233 217 G C 0.076 174.950 174.900 -0.042 0.000 1.266 217 G CA 0.160 45.236 45.100 -0.040 0.000 0.852 217 G HN 0.443 nan 8.290 nan 0.000 0.581 218 V N -1.209 118.676 119.914 -0.047 0.000 3.141 218 V HA 0.558 4.678 4.120 -0.000 0.000 0.312 218 V C 0.830 176.893 176.094 -0.051 0.000 1.157 218 V CA -0.761 61.511 62.300 -0.047 0.000 1.041 218 V CB 1.891 33.683 31.823 -0.051 0.000 1.071 218 V HN 0.779 nan 8.190 nan 0.000 0.441 219 E N 1.069 121.240 120.200 -0.048 0.000 2.072 219 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 219 E C 0.419 176.981 176.600 -0.063 0.000 0.985 219 E CA 1.734 58.103 56.400 -0.052 0.000 0.801 219 E CB 0.120 29.795 29.700 -0.043 0.000 0.750 219 E HN 0.768 nan 8.360 nan 0.000 0.452 220 R N -0.807 119.656 120.500 -0.062 0.000 2.716 220 R HA 0.529 4.868 4.340 -0.000 0.000 0.271 220 R C -1.380 174.879 176.300 -0.069 0.000 1.028 220 R CA -0.747 55.311 56.100 -0.070 0.000 0.883 220 R CB 0.937 31.199 30.300 -0.063 0.000 1.250 220 R HN -0.153 nan 8.270 nan 0.000 0.465 221 L N 1.161 122.339 121.223 -0.074 0.000 2.334 221 L HA 0.594 4.933 4.340 -0.000 0.000 0.276 221 L C 0.659 177.489 176.870 -0.066 0.000 1.014 221 L CA -0.658 54.131 54.840 -0.084 0.000 0.815 221 L CB 2.006 44.001 42.059 -0.107 0.000 1.268 221 L HN 1.005 nan 8.230 nan 0.000 0.428 222 G N 1.322 110.081 108.800 -0.068 0.000 3.311 222 G HA2 0.603 4.563 3.960 -0.000 0.000 0.169 222 G HA3 0.603 4.563 3.960 -0.000 0.000 0.169 222 G C 0.053 174.933 174.900 -0.033 0.000 1.852 222 G CA 0.417 45.492 45.100 -0.041 0.000 1.010 222 G HN 0.757 nan 8.290 nan 0.000 0.530 223 G N -3.142 105.645 108.800 -0.021 0.000 3.021 223 G HA2 0.712 4.672 3.960 -0.000 0.000 0.290 223 G HA3 0.712 4.672 3.960 -0.000 0.000 0.290 223 G C -0.358 174.548 174.900 0.010 0.000 1.291 223 G CA 0.147 45.252 45.100 0.008 0.000 0.834 223 G HN 1.836 nan 8.290 nan 0.000 0.564 224 G N -2.614 106.223 108.800 0.062 0.000 2.352 224 G HA2 0.505 4.465 3.960 -0.000 0.000 0.283 224 G HA3 0.505 4.465 3.960 -0.000 0.000 0.283 224 G C -2.009 172.968 174.900 0.128 0.000 1.308 224 G CA 0.189 45.336 45.100 0.078 0.000 0.892 224 G HN 1.438 nan 8.290 nan 0.000 0.504 225 V N 0.458 120.453 119.914 0.135 0.000 2.531 225 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 225 V C -1.291 174.922 176.094 0.199 0.000 1.034 225 V CA -0.572 61.807 62.300 0.131 0.000 0.865 225 V CB 1.541 33.406 31.823 0.071 0.000 0.995 225 V HN 0.948 nan 8.190 nan 0.000 0.424 226 Y N 4.196 124.535 120.300 0.066 0.000 2.457 226 Y HA 0.599 5.149 4.550 -0.000 0.000 0.343 226 Y C -0.201 175.684 175.900 -0.026 0.000 0.994 226 Y CA -0.814 57.330 58.100 0.074 0.000 1.031 226 Y CB 1.707 40.322 38.460 0.260 0.000 1.246 226 Y HN 0.619 nan 8.280 nan 0.000 0.449 227 R N 5.481 125.666 120.500 -0.526 0.000 2.255 227 R HA 0.562 4.902 4.340 -0.000 0.000 0.326 227 R C -1.372 174.732 176.300 -0.327 0.000 0.986 227 R CA -0.519 55.380 56.100 -0.336 0.000 0.847 227 R CB 0.800 30.933 30.300 -0.277 0.000 1.111 227 R HN 0.622 nan 8.270 nan 0.000 0.452 228 V N 6.457 126.311 119.914 -0.099 0.000 2.763 228 V HA -0.018 4.102 4.120 -0.000 0.000 0.306 228 V C 1.047 177.115 176.094 -0.043 0.000 1.059 228 V CA -0.068 62.226 62.300 -0.009 0.000 1.138 228 V CB 0.524 32.330 31.823 -0.029 0.000 0.940 228 V HN 0.691 nan 8.190 nan 0.000 0.489 229 L N 4.944 126.165 121.223 -0.003 0.000 2.472 229 L HA 0.524 4.864 4.340 -0.000 0.000 0.260 229 L C -2.370 174.488 176.870 -0.020 0.000 1.209 229 L CA -1.593 53.235 54.840 -0.019 0.000 0.817 229 L CB -0.098 41.961 42.059 0.000 0.000 1.106 229 L HN 0.349 nan 8.230 nan 0.000 0.479 230 P HA -0.014 nan 4.420 nan 0.000 0.269 230 P C -1.174 176.122 177.300 -0.006 0.000 1.215 230 P CA 0.033 63.130 63.100 -0.005 0.000 0.780 230 P CB 0.338 32.041 31.700 0.005 0.000 0.898 231 D N 2.615 123.014 120.400 -0.000 0.000 2.374 231 D HA 0.001 4.641 4.640 -0.000 0.000 0.240 231 D C 1.311 177.612 176.300 0.002 0.000 1.229 231 D CA -0.126 53.865 54.000 -0.014 0.000 0.895 231 D CB 0.519 41.301 40.800 -0.028 0.000 1.046 231 D HN 0.337 nan 8.370 nan 0.000 0.498 232 R N 3.676 124.169 120.500 -0.012 0.000 2.152 232 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 232 R C 1.355 177.659 176.300 0.005 0.000 1.117 232 R CA 0.569 56.668 56.100 -0.001 0.000 0.981 232 R CB -0.113 30.173 30.300 -0.024 0.000 0.870 232 R HN 0.338 nan 8.270 nan 0.000 0.451 233 I N 1.746 122.304 120.570 -0.021 0.000 2.353 233 I HA -0.118 4.052 4.170 -0.000 0.000 0.248 233 I C 2.494 178.620 176.117 0.014 0.000 1.119 233 I CA 1.139 62.427 61.300 -0.020 0.000 1.417 233 I CB -1.176 36.787 38.000 -0.060 0.000 1.078 233 I HN 0.353 nan 8.210 nan 0.000 0.421 234 E N 0.943 121.140 120.200 -0.004 0.000 2.077 234 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 234 E C 2.040 178.785 176.600 0.241 0.000 0.989 234 E CA 1.985 58.450 56.400 0.108 0.000 0.800 234 E CB 0.180 29.960 29.700 0.133 0.000 0.746 234 E HN 0.385 nan 8.360 nan 0.000 0.452 235 T N -0.162 114.508 114.554 0.194 0.000 2.652 235 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 235 T C 1.757 176.571 174.700 0.190 0.000 1.039 235 T CA 1.355 63.583 62.100 0.215 0.000 1.153 235 T CB -0.733 68.212 68.868 0.129 0.000 0.863 235 T HN 0.410 nan 8.240 nan 0.000 0.428 236 G N 0.879 109.755 108.800 0.128 0.000 2.442 236 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.219 236 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.219 236 G C 1.704 176.672 174.900 0.112 0.000 1.141 236 G CA 1.454 46.632 45.100 0.130 0.000 0.763 236 G HN 0.464 nan 8.290 nan 0.000 0.554 237 T N 0.756 115.352 114.554 0.069 0.000 2.746 237 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 237 T C 2.029 176.642 174.700 -0.145 0.000 1.039 237 T CA 0.961 63.028 62.100 -0.054 0.000 1.142 237 T CB -0.318 68.505 68.868 -0.076 0.000 0.866 237 T HN 0.299 nan 8.240 nan 0.000 0.444 238 F N 0.733 120.735 119.950 0.087 0.000 2.259 238 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 238 F C 2.075 177.894 175.800 0.032 0.000 1.088 238 F CA 0.474 58.505 58.000 0.052 0.000 1.358 238 F CB -0.383 38.655 39.000 0.063 0.000 1.040 238 F HN 0.058 nan 8.300 nan 0.000 0.505 239 L N -0.820 120.524 121.223 0.202 0.000 2.093 239 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 239 L C 2.291 179.189 176.870 0.047 0.000 1.085 239 L CA 0.645 55.561 54.840 0.126 0.000 0.755 239 L CB -0.657 41.478 42.059 0.127 0.000 0.904 239 L HN -0.021 nan 8.230 nan 0.000 0.435 240 V N -0.085 119.826 119.914 -0.004 0.000 2.427 240 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 240 V C 2.727 178.774 176.094 -0.080 0.000 1.051 240 V CA 1.534 63.763 62.300 -0.118 0.000 1.048 240 V CB -0.635 31.069 31.823 -0.199 0.000 0.666 240 V HN 0.462 nan 8.190 nan 0.000 0.456 241 A N 0.174 122.975 122.820 -0.030 0.000 1.917 241 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 241 A C 2.414 180.004 177.584 0.010 0.000 1.182 241 A CA 2.398 54.431 52.037 -0.006 0.000 0.633 241 A CB -0.754 18.286 19.000 0.066 0.000 0.819 241 A HN 0.573 nan 8.150 nan 0.000 0.448 242 A N -0.395 122.445 122.820 0.032 0.000 1.872 242 A HA 0.251 4.571 4.320 -0.000 0.000 0.214 242 A C 2.525 180.101 177.584 -0.014 0.000 1.187 242 A CA 1.904 53.950 52.037 0.016 0.000 0.614 242 A CB -1.116 17.900 19.000 0.027 0.000 0.826 242 A HN 1.148 nan 8.150 nan 0.000 0.442 243 A N 0.576 123.379 122.820 -0.027 0.000 1.986 243 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 243 A C 2.012 179.565 177.584 -0.051 0.000 1.171 243 A CA 1.651 53.662 52.037 -0.044 0.000 0.640 243 A CB -0.837 18.120 19.000 -0.071 0.000 0.811 243 A HN 1.042 nan 8.150 nan 0.000 0.451 244 I N -2.971 117.562 120.570 -0.061 0.000 3.728 244 I HA 0.123 4.293 4.170 -0.000 0.000 0.307 244 I C 1.284 177.382 176.117 -0.032 0.000 1.276 244 I CA 1.080 62.348 61.300 -0.054 0.000 1.285 244 I CB 0.245 38.203 38.000 -0.071 0.000 1.038 244 I HN 0.229 nan 8.210 nan 0.000 0.445 245 S N -0.165 115.521 115.700 -0.024 0.000 2.663 245 S HA 0.447 4.917 4.470 -0.000 0.000 0.243 245 S C 1.476 176.070 174.600 -0.010 0.000 1.009 245 S CA 0.138 58.329 58.200 -0.014 0.000 0.988 245 S CB 0.251 63.445 63.200 -0.010 0.000 0.896 245 S HN 0.711 nan 8.310 nan 0.000 0.502 246 G N 0.617 109.410 108.800 -0.011 0.000 2.180 246 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 246 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 246 G C 0.593 175.485 174.900 -0.014 0.000 0.989 246 G CA 0.189 45.285 45.100 -0.006 0.000 0.692 246 G HN 1.099 nan 8.290 nan 0.000 0.526 247 G N -0.936 107.853 108.800 -0.018 0.000 2.510 247 G HA2 0.599 4.559 3.960 -0.000 0.000 0.280 247 G HA3 0.599 4.559 3.960 -0.000 0.000 0.280 247 G C -0.139 174.735 174.900 -0.044 0.000 1.386 247 G CA 0.109 45.196 45.100 -0.022 0.000 1.047 247 G HN 0.611 nan 8.290 nan 0.000 0.527 248 K N -1.154 119.222 120.400 -0.039 0.000 2.464 248 K HA 0.665 4.985 4.320 -0.000 0.000 0.253 248 K C -1.717 174.871 176.600 -0.020 0.000 0.933 248 K CA -0.748 55.508 56.287 -0.051 0.000 0.801 248 K CB 2.264 34.721 32.500 -0.071 0.000 1.271 248 K HN 0.445 nan 8.250 nan 0.000 0.430 249 I N 2.480 123.048 120.570 -0.002 0.000 3.004 249 I HA 0.429 4.599 4.170 -0.000 0.000 0.305 249 I C -1.831 174.304 176.117 0.030 0.000 1.312 249 I CA -0.948 60.358 61.300 0.010 0.000 0.992 249 I CB 2.385 40.406 38.000 0.036 0.000 1.282 249 I HN 0.392 nan 8.210 nan 0.000 0.449 250 V N 5.030 124.953 119.914 0.014 0.000 2.483 250 V HA 0.362 4.482 4.120 -0.000 0.000 0.297 250 V C -0.735 175.386 176.094 0.045 0.000 1.027 250 V CA -0.571 61.757 62.300 0.047 0.000 0.855 250 V CB 1.456 33.258 31.823 -0.035 0.000 0.995 250 V HN 0.780 nan 8.190 nan 0.000 0.424 251 C N 6.137 125.506 119.300 0.115 0.000 2.285 251 C HA 0.618 5.078 4.460 -0.000 0.000 0.335 251 C C 0.548 175.617 174.990 0.132 0.000 1.267 251 C CA -1.048 58.023 59.018 0.087 0.000 1.762 251 C CB -0.008 27.801 27.740 0.116 0.000 2.365 251 C HN 0.737 nan 8.230 nan 0.000 0.527 252 R N 2.394 122.936 120.500 0.070 0.000 2.573 252 R HA 0.284 4.623 4.340 -0.000 0.000 0.272 252 R C 0.282 176.626 176.300 0.073 0.000 1.009 252 R CA -0.393 55.761 56.100 0.091 0.000 1.059 252 R CB 0.267 30.586 30.300 0.031 0.000 1.112 252 R HN 0.781 nan 8.270 nan 0.000 0.517 253 N N -1.284 117.466 118.700 0.082 0.000 2.754 253 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 253 N C -1.129 174.410 175.510 0.047 0.000 1.093 253 N CA 1.163 54.243 53.050 0.050 0.000 0.699 253 N CB -0.932 37.571 38.487 0.026 0.000 1.016 253 N HN 0.748 nan 8.380 nan 0.000 0.552 254 A N -0.188 122.671 122.820 0.064 0.000 2.269 254 A HA 0.718 5.038 4.320 -0.000 0.000 0.327 254 A C 0.185 177.774 177.584 0.009 0.000 1.112 254 A CA -0.393 51.671 52.037 0.045 0.000 0.865 254 A CB 1.151 20.191 19.000 0.067 0.000 1.227 254 A HN 0.218 nan 8.150 nan 0.000 0.498 255 Q N 0.656 120.455 119.800 -0.003 0.000 2.771 255 Q HA 0.309 4.649 4.340 -0.000 0.000 0.247 255 Q C -2.266 173.719 176.000 -0.026 0.000 0.986 255 Q CA -1.778 54.012 55.803 -0.022 0.000 0.713 255 Q CB 1.233 29.962 28.738 -0.015 0.000 1.241 255 Q HN 0.443 nan 8.270 nan 0.000 0.488 256 P HA -0.243 nan 4.420 nan 0.000 0.218 256 P C 0.633 177.916 177.300 -0.027 0.000 1.154 256 P CA 1.765 64.830 63.100 -0.058 0.000 0.872 256 P CB 0.181 31.805 31.700 -0.128 0.000 0.790 257 D N -1.364 119.022 120.400 -0.023 0.000 2.384 257 D HA -0.121 4.519 4.640 -0.000 0.000 0.222 257 D C 1.173 177.502 176.300 0.048 0.000 0.976 257 D CA 1.520 55.523 54.000 0.004 0.000 0.915 257 D CB -1.525 39.276 40.800 0.002 0.000 0.896 257 D HN 0.256 nan 8.370 nan 0.000 0.523 258 T N -2.694 111.886 114.554 0.044 0.000 3.086 258 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 258 T C 1.212 175.975 174.700 0.104 0.000 1.074 258 T CA -0.282 61.866 62.100 0.080 0.000 0.988 258 T CB -0.286 68.581 68.868 -0.002 0.000 0.988 258 T HN 0.199 nan 8.240 nan 0.000 0.530 259 L N 0.609 121.869 121.223 0.060 0.000 3.366 259 L HA 0.372 4.712 4.340 -0.000 0.000 0.304 259 L C 0.825 177.710 176.870 0.025 0.000 1.292 259 L CA -0.329 54.533 54.840 0.038 0.000 1.012 259 L CB 0.529 42.607 42.059 0.030 0.000 1.414 259 L HN -0.017 nan 8.230 nan 0.000 0.603 260 D N 1.634 122.046 120.400 0.020 0.000 2.106 260 D HA -0.238 4.402 4.640 -0.000 0.000 0.191 260 D C 2.156 178.462 176.300 0.010 0.000 0.997 260 D CA 1.842 55.845 54.000 0.005 0.000 0.834 260 D CB 0.188 40.979 40.800 -0.015 0.000 0.956 260 D HN 0.403 nan 8.370 nan 0.000 0.448 261 A N 0.716 123.531 122.820 -0.008 0.000 1.883 261 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 261 A C 2.627 180.241 177.584 0.049 0.000 1.186 261 A CA 1.623 53.670 52.037 0.016 0.000 0.624 261 A CB -0.851 18.149 19.000 -0.000 0.000 0.822 261 A HN 0.162 nan 8.150 nan 0.000 0.444 262 V N 0.226 120.131 119.914 -0.014 0.000 2.295 262 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 262 V C 2.575 178.772 176.094 0.173 0.000 1.049 262 V CA 1.963 64.284 62.300 0.035 0.000 1.024 262 V CB -0.786 31.034 31.823 -0.006 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.057 121.348 121.223 0.114 0.000 2.083 263 L HA -0.157 4.182 4.340 -0.000 0.000 0.209 263 L C 2.732 179.672 176.870 0.118 0.000 1.083 263 L CA 1.520 56.430 54.840 0.117 0.000 0.752 263 L CB -0.866 41.233 42.059 0.068 0.000 0.899 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N -0.042 122.835 122.820 0.095 0.000 1.902 264 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 264 A C 2.298 179.951 177.584 0.115 0.000 1.181 264 A CA 1.688 53.775 52.037 0.084 0.000 0.623 264 A CB -0.319 18.715 19.000 0.057 0.000 0.818 264 A HN 0.154 nan 8.150 nan 0.000 0.443 265 K N -0.176 120.317 120.400 0.155 0.000 2.097 265 K HA 0.101 4.421 4.320 -0.000 0.000 0.205 265 K C 1.745 178.530 176.600 0.309 0.000 1.050 265 K CA 0.929 57.338 56.287 0.203 0.000 0.938 265 K CB -0.472 32.122 32.500 0.156 0.000 0.718 265 K HN 0.510 nan 8.250 nan 0.000 0.442 266 L N -0.003 121.423 121.223 0.338 0.000 2.093 266 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 266 L C 2.301 179.265 176.870 0.156 0.000 1.085 266 L CA 1.184 56.181 54.840 0.261 0.000 0.755 266 L CB -0.253 41.940 42.059 0.222 0.000 0.904 266 L HN 0.149 nan 8.230 nan 0.000 0.435 267 R N -0.007 120.573 120.500 0.133 0.000 2.092 267 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 267 R C 2.080 178.434 176.300 0.091 0.000 1.119 267 R CA 1.190 57.349 56.100 0.098 0.000 0.970 267 R CB -0.238 30.111 30.300 0.082 0.000 0.864 267 R HN 0.429 nan 8.270 nan 0.000 0.440 268 E N 0.379 120.639 120.200 0.099 0.000 2.204 268 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 268 E C 1.660 178.310 176.600 0.084 0.000 0.990 268 E CA 1.028 57.478 56.400 0.083 0.000 0.821 268 E CB 0.031 29.779 29.700 0.080 0.000 0.750 268 E HN 0.338 nan 8.360 nan 0.000 0.477 269 A N -0.282 122.602 122.820 0.105 0.000 2.208 269 A HA 0.201 4.520 4.320 -0.000 0.000 0.209 269 A C 1.653 179.275 177.584 0.063 0.000 1.161 269 A CA 0.961 53.049 52.037 0.084 0.000 0.782 269 A CB -0.006 19.047 19.000 0.089 0.000 0.816 269 A HN 0.347 nan 8.150 nan 0.000 0.477 270 G N -2.472 106.370 108.800 0.070 0.000 2.168 270 G HA2 0.187 4.147 3.960 -0.000 0.000 0.197 270 G HA3 0.187 4.147 3.960 -0.000 0.000 0.197 270 G C 0.313 175.258 174.900 0.076 0.000 0.997 270 G CA 0.062 45.203 45.100 0.068 0.000 0.658 270 G HN 1.438 nan 8.290 nan 0.000 0.513 271 A N 0.163 123.026 122.820 0.071 0.000 2.388 271 A HA 0.577 4.896 4.320 -0.000 0.000 0.257 271 A C 0.097 177.727 177.584 0.077 0.000 1.095 271 A CA 0.539 52.612 52.037 0.060 0.000 0.791 271 A CB 0.604 19.637 19.000 0.054 0.000 1.029 271 A HN 0.529 nan 8.150 nan 0.000 0.489 272 D N 2.007 122.448 120.400 0.068 0.000 2.428 272 D HA 0.461 5.101 4.640 -0.000 0.000 0.221 272 D C -0.593 175.753 176.300 0.076 0.000 1.123 272 D CA 0.080 54.143 54.000 0.105 0.000 0.869 272 D CB -0.025 40.896 40.800 0.201 0.000 1.032 272 D HN 0.350 nan 8.370 nan 0.000 0.506 273 I N 2.793 123.415 120.570 0.086 0.000 2.441 273 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 273 I C 0.301 176.472 176.117 0.091 0.000 0.994 273 I CA -0.783 60.569 61.300 0.087 0.000 1.144 273 I CB 1.818 39.863 38.000 0.075 0.000 1.314 273 I HN 0.268 nan 8.210 nan 0.000 0.445 274 E N 3.080 123.352 120.200 0.120 0.000 2.343 274 E HA 0.586 4.936 4.350 -0.000 0.000 0.270 274 E C -1.145 175.445 176.600 -0.017 0.000 0.895 274 E CA -0.772 55.695 56.400 0.112 0.000 0.767 274 E CB 2.819 32.673 29.700 0.256 0.000 1.248 274 E HN 0.680 nan 8.360 nan 0.000 0.440 275 T N -1.461 112.921 114.554 -0.286 0.000 2.906 275 T HA 0.803 5.153 4.350 -0.000 0.000 0.295 275 T C 0.076 174.056 174.700 -1.199 0.000 1.075 275 T CA -0.741 60.928 62.100 -0.720 0.000 1.005 275 T CB 1.916 70.556 68.868 -0.380 0.000 1.136 275 T HN 0.514 nan 8.240 nan 0.000 0.498 276 G N 0.032 107.734 108.800 -1.831 0.000 3.251 276 G HA2 0.501 4.461 3.960 -0.000 0.000 0.248 276 G HA3 0.501 4.461 3.960 -0.000 0.000 0.248 276 G C 0.279 174.765 174.900 -0.691 0.000 1.320 276 G CA -0.458 43.810 45.100 -1.387 0.000 0.982 276 G HN 0.717 nan 8.290 nan 0.000 0.575 277 E N -0.341 119.662 120.200 -0.329 0.000 2.072 277 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 277 E C 0.897 177.418 176.600 -0.132 0.000 0.985 277 E CA 2.013 58.325 56.400 -0.147 0.000 0.801 277 E CB 0.151 29.840 29.700 -0.019 0.000 0.750 277 E HN 0.467 nan 8.360 nan 0.000 0.452 278 D N -1.134 119.213 120.400 -0.089 0.000 2.760 278 D HA 0.074 4.714 4.640 -0.000 0.000 0.314 278 D C -0.515 175.854 176.300 0.116 0.000 1.464 278 D CA -0.579 53.426 54.000 0.009 0.000 0.797 278 D CB -0.867 39.977 40.800 0.075 0.000 1.149 278 D HN 0.304 nan 8.370 nan 0.000 0.455 279 W N -0.149 121.155 121.300 0.006 0.000 3.137 279 W HA 0.669 5.328 4.660 -0.000 0.000 0.324 279 W C -2.119 174.409 176.519 0.014 0.000 1.253 279 W CA -1.279 56.070 57.345 0.006 0.000 1.183 279 W CB 0.457 29.917 29.460 0.000 0.000 1.424 279 W HN -0.285 nan 8.180 nan 0.000 0.566 280 I N 2.937 123.716 120.570 0.348 0.000 2.619 280 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 280 I C -0.219 176.131 176.117 0.389 0.000 1.100 280 I CA -0.740 60.693 61.300 0.221 0.000 1.043 280 I CB 2.596 40.651 38.000 0.091 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.848 122.783 115.700 0.393 0.000 2.513 281 S HA 0.834 5.304 4.470 -0.000 0.000 0.299 281 S C -1.064 173.631 174.600 0.158 0.000 1.087 281 S CA -0.729 57.634 58.200 0.272 0.000 1.012 281 S CB 2.243 65.621 63.200 0.297 0.000 1.044 281 S HN 0.645 nan 8.310 nan 0.000 0.485 282 L N 2.259 123.536 121.223 0.089 0.000 2.410 282 L HA 0.679 5.019 4.340 -0.000 0.000 0.270 282 L C -1.918 174.936 176.870 -0.027 0.000 0.983 282 L CA -0.305 54.561 54.840 0.043 0.000 0.822 282 L CB 1.892 43.983 42.059 0.053 0.000 1.285 282 L HN 0.833 nan 8.230 nan 0.000 0.409 283 D N 4.854 125.192 120.400 -0.105 0.000 2.696 283 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 283 D C 0.240 176.329 176.300 -0.351 0.000 1.188 283 D CA -0.425 53.404 54.000 -0.286 0.000 0.876 283 D CB 1.924 42.431 40.800 -0.487 0.000 1.334 283 D HN 0.489 nan 8.370 nan 0.000 0.540 284 M N 1.559 121.021 119.600 -0.231 0.000 2.509 284 M HA 0.024 4.504 4.480 -0.000 0.000 0.250 284 M C 0.138 176.422 176.300 -0.027 0.000 1.132 284 M CA 0.314 55.555 55.300 -0.099 0.000 1.080 284 M CB -0.650 31.930 32.600 -0.034 0.000 1.408 284 M HN 0.490 nan 8.290 nan 0.000 0.484 285 H N 0.036 119.119 119.070 0.020 0.000 2.770 285 H HA -0.152 4.404 4.556 -0.000 0.000 0.309 285 H C 1.319 176.654 175.328 0.013 0.000 1.206 285 H CA 0.889 56.947 56.048 0.017 0.000 1.147 285 H CB -2.247 27.526 29.762 0.018 0.000 1.422 285 H HN 0.634 nan 8.280 nan 0.000 0.420 286 G N -0.461 108.381 108.800 0.070 0.000 2.186 286 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.266 286 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.266 286 G C 0.413 175.341 174.900 0.047 0.000 0.982 286 G CA 0.897 46.026 45.100 0.048 0.000 0.670 286 G HN 0.386 nan 8.290 nan 0.000 0.533 287 K N 0.348 120.785 120.400 0.061 0.000 2.249 287 K HA 0.328 4.648 4.320 -0.000 0.000 0.280 287 K C 0.797 177.415 176.600 0.030 0.000 1.033 287 K CA -0.735 55.583 56.287 0.051 0.000 0.946 287 K CB 1.167 33.711 32.500 0.073 0.000 1.005 287 K HN 0.482 nan 8.250 nan 0.000 0.469 288 R N 3.783 124.298 120.500 0.024 0.000 2.543 288 R HA 0.118 4.458 4.340 -0.000 0.000 0.277 288 R C -1.960 174.350 176.300 0.017 0.000 1.074 288 R CA -1.012 55.097 56.100 0.015 0.000 1.076 288 R CB 0.343 30.652 30.300 0.015 0.000 0.993 288 R HN 0.358 nan 8.270 nan 0.000 0.459 289 P HA 0.075 nan 4.420 nan 0.000 0.272 289 P C -1.261 176.050 177.300 0.019 0.000 1.223 289 P CA -0.110 62.996 63.100 0.009 0.000 0.784 289 P CB 0.752 32.444 31.700 -0.014 0.000 0.923 290 K N 0.974 121.391 120.400 0.029 0.000 2.172 290 K HA 0.485 4.805 4.320 -0.000 0.000 0.276 290 K C 0.240 176.862 176.600 0.036 0.000 1.013 290 K CA -0.637 55.670 56.287 0.033 0.000 0.913 290 K CB 1.356 33.879 32.500 0.038 0.000 1.055 290 K HN 0.557 nan 8.250 nan 0.000 0.461 291 A N 2.233 125.071 122.820 0.031 0.000 2.531 291 A HA 0.281 4.601 4.320 -0.000 0.000 0.236 291 A C 0.360 177.966 177.584 0.037 0.000 1.062 291 A CA -0.250 51.804 52.037 0.029 0.000 0.760 291 A CB -0.045 18.965 19.000 0.017 0.000 0.995 291 A HN 0.549 nan 8.150 nan 0.000 0.501 292 V N -0.368 119.574 119.914 0.047 0.000 3.126 292 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 292 V C -0.127 175.967 176.094 -0.000 0.000 1.138 292 V CA -0.595 61.731 62.300 0.043 0.000 1.034 292 V CB 1.775 33.659 31.823 0.101 0.000 1.075 292 V HN 0.777 nan 8.190 nan 0.000 0.442 293 T N 1.832 116.367 114.554 -0.032 0.000 2.779 293 T HA 0.741 5.091 4.350 -0.000 0.000 0.280 293 T C -0.604 174.009 174.700 -0.146 0.000 0.987 293 T CA -0.286 61.772 62.100 -0.072 0.000 0.966 293 T CB 1.331 70.169 68.868 -0.050 0.000 0.933 293 T HN 0.761 nan 8.240 nan 0.000 0.442 294 V N 3.498 123.282 119.914 -0.217 0.000 2.823 294 V HA 0.680 4.800 4.120 -0.000 0.000 0.312 294 V C -0.242 175.693 176.094 -0.265 0.000 1.072 294 V CA -1.073 60.986 62.300 -0.401 0.000 0.937 294 V CB 2.261 33.596 31.823 -0.813 0.000 1.013 294 V HN 0.783 nan 8.190 nan 0.000 0.430 295 R N 2.212 122.573 120.500 -0.232 0.000 2.575 295 R HA 0.439 4.779 4.340 -0.000 0.000 0.292 295 R C -0.116 176.173 176.300 -0.018 0.000 1.246 295 R CA -0.256 55.791 56.100 -0.089 0.000 0.973 295 R CB 1.427 31.699 30.300 -0.047 0.000 1.187 295 R HN 0.941 nan 8.270 nan 0.000 0.478 296 T N 0.999 115.581 114.554 0.047 0.000 2.903 296 T HA 0.579 4.929 4.350 -0.000 0.000 0.314 296 T C 0.313 175.063 174.700 0.085 0.000 1.078 296 T CA 0.114 62.316 62.100 0.171 0.000 1.114 296 T CB 1.445 70.427 68.868 0.190 0.000 0.987 296 T HN 0.730 nan 8.240 nan 0.000 0.548 297 A N 2.482 125.353 122.820 0.085 0.000 2.515 297 A HA 0.703 5.023 4.320 -0.000 0.000 0.292 297 A C -3.159 174.443 177.584 0.029 0.000 1.065 297 A CA -1.659 50.395 52.037 0.028 0.000 0.641 297 A CB 0.106 19.117 19.000 0.017 0.000 1.306 297 A HN 0.659 nan 8.150 nan 0.000 0.441 298 P HA 0.279 nan 4.420 nan 0.000 0.269 298 P C -0.344 176.991 177.300 0.059 0.000 1.215 298 P CA 0.343 63.462 63.100 0.033 0.000 0.780 298 P CB 0.161 31.870 31.700 0.014 0.000 0.898 299 H N 4.054 123.119 119.070 -0.009 0.000 3.016 299 H HA 0.002 4.557 4.556 -0.000 0.000 0.345 299 H C -1.209 174.114 175.328 -0.007 0.000 1.066 299 H CA -0.606 55.435 56.048 -0.012 0.000 1.390 299 H CB 0.222 29.978 29.762 -0.011 0.000 1.344 299 H HN 0.322 nan 8.280 nan 0.000 0.605 300 P HA 0.122 nan 4.420 nan 0.000 0.255 300 P C -0.401 176.679 177.300 -0.366 0.000 1.357 300 P CA 0.205 62.705 63.100 -1.000 0.000 0.839 300 P CB -0.086 31.187 31.700 -0.711 0.000 1.356 301 A N 0.462 123.188 122.820 -0.157 0.000 2.262 301 A HA 0.257 4.577 4.320 -0.000 0.000 0.273 301 A C -0.227 177.371 177.584 0.023 0.000 1.202 301 A CA -0.565 51.451 52.037 -0.035 0.000 0.811 301 A CB -0.534 18.470 19.000 0.006 0.000 1.159 301 A HN 0.175 nan 8.150 nan 0.000 0.505 302 F N 1.847 121.753 119.950 -0.073 0.000 2.571 302 F HA 0.271 4.798 4.527 -0.000 0.000 0.384 302 F C -1.634 174.142 175.800 -0.039 0.000 1.058 302 F CA -1.503 56.444 58.000 -0.089 0.000 1.200 302 F CB 0.575 39.485 39.000 -0.149 0.000 1.077 302 F HN 0.259 nan 8.300 nan 0.000 0.558 303 P HA -0.022 nan 4.420 nan 0.000 0.276 303 P C 0.298 177.577 177.300 -0.036 0.000 1.230 303 P CA -0.061 62.944 63.100 -0.158 0.000 0.776 303 P CB 1.544 33.127 31.700 -0.196 0.000 0.888 304 T N 2.095 116.722 114.554 0.123 0.000 2.881 304 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 304 T C 1.696 176.503 174.700 0.179 0.000 1.068 304 T CA 1.551 63.781 62.100 0.216 0.000 1.131 304 T CB -0.606 68.414 68.868 0.254 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.028 122.909 122.820 0.101 0.000 2.248 305 A HA 0.217 4.537 4.320 -0.000 0.000 0.210 305 A C 1.896 179.512 177.584 0.054 0.000 1.174 305 A CA 1.041 53.116 52.037 0.063 0.000 0.750 305 A CB -0.463 18.555 19.000 0.029 0.000 0.780 305 A HN 0.559 nan 8.150 nan 0.000 0.478 306 M N -1.564 118.068 119.600 0.052 0.000 2.306 306 M HA 0.161 4.641 4.480 -0.000 0.000 0.292 306 M C 1.648 178.197 176.300 0.415 0.000 1.018 306 M CA 0.298 55.675 55.300 0.127 0.000 1.007 306 M CB 0.167 32.679 32.600 -0.146 0.000 1.510 306 M HN 0.473 nan 8.290 nan 0.000 0.537 307 Q N 0.448 120.504 119.800 0.426 0.000 2.061 307 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 307 Q C 1.655 177.831 176.000 0.294 0.000 0.984 307 Q CA 2.118 58.198 55.803 0.461 0.000 0.846 307 Q CB -0.114 28.854 28.738 0.383 0.000 0.902 307 Q HN 0.556 nan 8.270 nan 0.000 0.421 308 A N 0.605 123.461 122.820 0.060 0.000 1.908 308 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 308 A C 2.011 179.522 177.584 -0.123 0.000 1.181 308 A CA 1.842 53.648 52.037 -0.384 0.000 0.627 308 A CB -0.564 18.058 19.000 -0.630 0.000 0.818 308 A HN 0.488 nan 8.150 nan 0.000 0.445 309 Q N -1.224 118.597 119.800 0.036 0.000 2.084 309 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 309 Q C 1.636 177.682 176.000 0.077 0.000 0.978 309 Q CA 1.675 57.506 55.803 0.047 0.000 0.844 309 Q CB -0.459 28.327 28.738 0.079 0.000 0.898 309 Q HN 0.687 nan 8.270 nan 0.000 0.426 310 F N 0.007 120.030 119.950 0.123 0.000 2.407 310 F HA -0.082 4.445 4.527 -0.000 0.000 0.299 310 F C 2.079 177.916 175.800 0.062 0.000 1.097 310 F CA 1.030 59.102 58.000 0.120 0.000 1.422 310 F CB -0.211 38.902 39.000 0.188 0.000 1.067 310 F HN 0.022 nan 8.300 nan 0.000 0.539 311 T N 0.488 115.180 114.554 0.230 0.000 2.777 311 T HA -0.188 4.161 4.350 -0.000 0.000 0.266 311 T C 2.025 176.779 174.700 0.090 0.000 1.040 311 T CA 1.290 63.492 62.100 0.170 0.000 1.141 311 T CB -0.519 68.547 68.868 0.332 0.000 0.868 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.446 122.709 121.223 0.068 0.000 1.989 312 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 312 L C 2.258 179.113 176.870 -0.026 0.000 1.071 312 L CA 1.594 56.442 54.840 0.012 0.000 0.749 312 L CB -1.037 41.011 42.059 -0.019 0.000 0.890 312 L HN 0.268 nan 8.230 nan 0.000 0.431 313 L N -0.293 120.887 121.223 -0.072 0.000 2.021 313 L HA -0.318 4.022 4.340 -0.000 0.000 0.215 313 L C 2.297 179.141 176.870 -0.044 0.000 1.074 313 L CA 2.054 56.828 54.840 -0.110 0.000 0.760 313 L CB -0.587 41.311 42.059 -0.269 0.000 0.889 313 L HN 0.434 nan 8.230 nan 0.000 0.433 314 N N -0.090 118.607 118.700 -0.006 0.000 2.166 314 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 314 N C 1.819 177.324 175.510 -0.008 0.000 1.019 314 N CA 1.407 54.459 53.050 0.003 0.000 0.856 314 N CB -0.391 38.100 38.487 0.008 0.000 0.993 314 N HN 0.383 nan 8.380 nan 0.000 0.426 315 L N 0.460 121.677 121.223 -0.011 0.000 2.353 315 L HA -0.056 4.284 4.340 -0.000 0.000 0.220 315 L C 1.351 178.216 176.870 -0.008 0.000 1.133 315 L CA 0.595 55.427 54.840 -0.012 0.000 0.798 315 L CB -0.065 41.983 42.059 -0.019 0.000 0.922 315 L HN 0.089 nan 8.230 nan 0.000 0.445 316 V N -4.880 115.027 119.914 -0.012 0.000 3.159 316 V HA 0.546 4.666 4.120 -0.000 0.000 0.333 316 V C 0.639 176.732 176.094 -0.002 0.000 1.424 316 V CA -0.262 62.032 62.300 -0.009 0.000 1.125 316 V CB -0.211 31.600 31.823 -0.021 0.000 1.075 316 V HN 0.093 nan 8.190 nan 0.000 0.482 317 A N 0.658 123.480 122.820 0.004 0.000 2.248 317 A HA 0.791 5.111 4.320 -0.000 0.000 0.316 317 A C -0.104 177.494 177.584 0.023 0.000 1.101 317 A CA -0.499 51.544 52.037 0.010 0.000 0.875 317 A CB 1.100 20.105 19.000 0.009 0.000 1.207 317 A HN 0.458 nan 8.150 nan 0.000 0.504 318 E N -0.255 119.959 120.200 0.024 0.000 2.130 318 E HA 0.498 4.848 4.350 -0.000 0.000 0.284 318 E C 0.343 176.962 176.600 0.032 0.000 1.018 318 E CA 1.141 57.559 56.400 0.030 0.000 0.817 318 E CB 0.077 29.793 29.700 0.027 0.000 1.078 318 E HN 1.635 nan 8.360 nan 0.000 0.396 319 G N 2.676 111.500 108.800 0.042 0.000 2.422 319 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.607 319 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.607 319 G C -0.768 174.162 174.900 0.051 0.000 1.270 319 G CA -0.499 44.627 45.100 0.044 0.000 0.992 319 G HN 0.496 nan 8.290 nan 0.000 0.499 320 T N 1.205 115.785 114.554 0.044 0.000 2.753 320 T HA 0.629 4.979 4.350 -0.000 0.000 0.297 320 T C 0.685 175.367 174.700 -0.031 0.000 0.981 320 T CA 0.544 62.652 62.100 0.014 0.000 0.956 320 T CB 1.103 70.007 68.868 0.059 0.000 0.936 320 T HN 1.386 nan 8.240 nan 0.000 0.463 321 G N 1.840 110.601 108.800 -0.066 0.000 2.371 321 G HA2 0.601 4.561 3.960 -0.000 0.000 0.326 321 G HA3 0.601 4.561 3.960 -0.000 0.000 0.326 321 G C -0.959 173.885 174.900 -0.093 0.000 1.127 321 G CA -0.477 44.590 45.100 -0.055 0.000 0.885 321 G HN 0.625 nan 8.290 nan 0.000 0.477 322 V N 2.925 122.796 119.914 -0.073 0.000 2.487 322 V HA 0.445 4.565 4.120 -0.000 0.000 0.298 322 V C -0.273 175.778 176.094 -0.072 0.000 1.028 322 V CA -0.548 61.704 62.300 -0.081 0.000 0.860 322 V CB 1.469 33.257 31.823 -0.060 0.000 0.991 322 V HN 0.626 nan 8.190 nan 0.000 0.427 323 I N 3.552 124.082 120.570 -0.065 0.000 2.389 323 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 323 I C -0.152 176.014 176.117 0.080 0.000 0.999 323 I CA -0.191 61.093 61.300 -0.027 0.000 1.129 323 I CB 2.182 40.186 38.000 0.006 0.000 1.288 323 I HN 0.498 nan 8.210 nan 0.000 0.444 324 T N 4.356 118.951 114.554 0.068 0.000 2.772 324 T HA 0.243 4.593 4.350 -0.000 0.000 0.288 324 T C -0.360 174.407 174.700 0.111 0.000 0.994 324 T CA -0.450 61.724 62.100 0.122 0.000 0.951 324 T CB 1.196 70.093 68.868 0.047 0.000 0.933 324 T HN 0.438 nan 8.240 nan 0.000 0.447 325 E N 2.221 122.504 120.200 0.139 0.000 2.167 325 E HA 0.346 4.696 4.350 -0.000 0.000 0.284 325 E C 0.926 177.508 176.600 -0.030 0.000 1.016 325 E CA -0.488 55.929 56.400 0.028 0.000 0.817 325 E CB 0.719 30.334 29.700 -0.141 0.000 1.080 325 E HN 0.640 nan 8.360 nan 0.000 0.397 326 T N 2.096 116.636 114.554 -0.025 0.000 3.044 326 T HA 0.196 4.546 4.350 -0.000 0.000 0.260 326 T C 1.089 175.720 174.700 -0.116 0.000 1.019 326 T CA -0.177 61.889 62.100 -0.057 0.000 0.921 326 T CB -0.004 68.840 68.868 -0.039 0.000 1.053 326 T HN 0.404 nan 8.240 nan 0.000 0.533 327 I N -0.204 120.273 120.570 -0.155 0.000 2.729 327 I HA 0.403 4.573 4.170 -0.000 0.000 0.256 327 I C 0.080 175.841 176.117 -0.594 0.000 1.115 327 I CA 0.049 61.118 61.300 -0.385 0.000 1.446 327 I CB -0.556 37.179 38.000 -0.443 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 2.377 122.287 119.950 -0.067 0.000 2.482 328 F HA 0.239 4.766 4.527 -0.000 0.000 0.331 328 F C 1.571 177.291 175.800 -0.134 0.000 1.115 328 F CA -0.783 57.167 58.000 -0.084 0.000 0.955 328 F CB 1.314 40.271 39.000 -0.072 0.000 1.136 328 F HN -0.006 nan 8.300 nan 0.000 0.452 329 E N 0.868 121.110 120.200 0.069 0.000 2.338 329 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 329 E C -0.076 176.488 176.600 -0.061 0.000 1.007 329 E CA 1.015 57.402 56.400 -0.023 0.000 0.849 329 E CB -0.183 29.512 29.700 -0.008 0.000 0.774 329 E HN 0.570 nan 8.360 nan 0.000 0.506 330 N N 0.241 118.920 118.700 -0.036 0.000 2.679 330 N HA 0.142 4.882 4.740 -0.000 0.000 0.302 330 N C -0.776 174.691 175.510 -0.072 0.000 1.941 330 N CA -0.278 52.735 53.050 -0.062 0.000 0.875 330 N CB 0.434 38.908 38.487 -0.021 0.000 1.278 330 N HN -0.037 nan 8.380 nan 0.000 0.490 331 R N 0.787 121.189 120.500 -0.164 0.000 2.865 331 R HA 0.330 4.670 4.340 -0.000 0.000 0.370 331 R C -0.540 175.842 176.300 0.137 0.000 1.168 331 R CA -0.017 56.056 56.100 -0.045 0.000 1.058 331 R CB -0.159 30.140 30.300 -0.002 0.000 1.419 331 R HN 0.328 nan 8.270 nan 0.000 0.580 332 F N -0.302 119.682 119.950 0.057 0.000 2.735 332 F HA 0.161 4.688 4.527 -0.000 0.000 0.308 332 F C 1.317 176.966 175.800 -0.252 0.000 1.112 332 F CA -0.483 57.436 58.000 -0.134 0.000 1.235 332 F CB 0.692 39.627 39.000 -0.109 0.000 1.027 332 F HN 0.080 nan 8.300 nan 0.000 0.528 333 M N 0.229 119.897 119.600 0.113 0.000 2.358 333 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 333 M C 2.355 178.663 176.300 0.014 0.000 1.064 333 M CA 1.348 56.675 55.300 0.046 0.000 1.093 333 M CB -0.567 32.060 32.600 0.045 0.000 1.401 333 M HN 0.320 nan 8.290 nan 0.000 0.440 334 H N -1.261 117.836 119.070 0.044 0.000 2.470 334 H HA 0.062 4.618 4.556 -0.000 0.000 0.289 334 H C 2.063 177.395 175.328 0.005 0.000 1.033 334 H CA 0.951 57.006 56.048 0.011 0.000 1.331 334 H CB -1.170 28.601 29.762 0.015 0.000 1.414 334 H HN 0.215 nan 8.280 nan 0.000 0.545 335 V N 2.535 122.164 119.914 -0.475 0.000 2.252 335 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 335 V C -0.273 175.745 176.094 -0.126 0.000 1.056 335 V CA 2.440 64.564 62.300 -0.295 0.000 1.022 335 V CB -1.424 30.180 31.823 -0.365 0.000 0.641 335 V HN 0.408 nan 8.190 nan 0.000 0.445 336 P HA -0.106 nan 4.420 nan 0.000 0.220 336 P C 1.540 178.823 177.300 -0.028 0.000 1.148 336 P CA 1.105 64.179 63.100 -0.044 0.000 0.803 336 P CB -0.001 31.683 31.700 -0.027 0.000 0.782 337 E N -0.465 119.722 120.200 -0.022 0.000 2.072 337 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 337 E C 2.111 178.704 176.600 -0.011 0.000 0.982 337 E CA 0.888 57.284 56.400 -0.007 0.000 0.803 337 E CB -0.915 28.790 29.700 0.008 0.000 0.755 337 E HN 0.311 nan 8.360 nan 0.000 0.453 338 L N 0.618 121.835 121.223 -0.011 0.000 2.141 338 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 338 L C 2.486 179.328 176.870 -0.046 0.000 1.094 338 L CA 0.652 55.481 54.840 -0.019 0.000 0.763 338 L CB -0.357 41.700 42.059 -0.004 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.456 120.086 120.570 -0.047 0.000 2.361 339 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 339 I C 2.617 178.707 176.117 -0.046 0.000 1.133 339 I CA 1.144 62.413 61.300 -0.051 0.000 1.413 339 I CB -0.265 37.721 38.000 -0.023 0.000 1.073 339 I HN 0.212 nan 8.210 nan 0.000 0.424 340 R N 0.211 120.693 120.500 -0.030 0.000 2.193 340 R HA -0.059 4.280 4.340 -0.000 0.000 0.229 340 R C 1.811 178.093 176.300 -0.030 0.000 1.110 340 R CA 1.060 57.147 56.100 -0.021 0.000 0.988 340 R CB -0.106 30.187 30.300 -0.011 0.000 0.871 340 R HN 0.360 nan 8.270 nan 0.000 0.458 341 M N -0.734 118.841 119.600 -0.042 0.000 2.505 341 M HA 0.151 4.631 4.480 -0.000 0.000 0.230 341 M C 0.657 176.910 176.300 -0.079 0.000 1.153 341 M CA 0.393 55.665 55.300 -0.047 0.000 0.997 341 M CB 1.220 33.797 32.600 -0.037 0.000 1.606 341 M HN 0.413 nan 8.290 nan 0.000 0.481 342 G N 0.333 109.065 108.800 -0.114 0.000 2.175 342 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 342 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 342 G C 0.247 174.898 174.900 -0.414 0.000 0.982 342 G CA -0.027 44.949 45.100 -0.206 0.000 0.641 342 G HN 0.660 nan 8.290 nan 0.000 0.527 343 A N 0.337 122.987 122.820 -0.282 0.000 2.386 343 A HA 0.621 4.941 4.320 -0.000 0.000 0.246 343 A C 0.179 177.551 177.584 -0.353 0.000 1.089 343 A CA 0.183 52.057 52.037 -0.271 0.000 0.790 343 A CB 0.251 19.183 19.000 -0.114 0.000 1.042 343 A HN 0.575 nan 8.150 nan 0.000 0.497 344 H N -0.484 118.601 119.070 0.025 0.000 2.689 344 H HA 0.716 5.272 4.556 -0.000 0.000 0.346 344 H C -0.219 175.148 175.328 0.065 0.000 1.037 344 H CA 0.333 56.417 56.048 0.060 0.000 1.234 344 H CB 1.559 31.380 29.762 0.098 0.000 1.572 344 H HN 1.050 nan 8.280 nan 0.000 0.524 345 A N 2.543 125.467 122.820 0.174 0.000 2.583 345 A HA 0.555 4.875 4.320 -0.000 0.000 0.292 345 A C -1.431 176.161 177.584 0.014 0.000 1.045 345 A CA -0.836 51.218 52.037 0.029 0.000 0.672 345 A CB 1.597 20.541 19.000 -0.093 0.000 1.283 345 A HN 0.531 nan 8.150 nan 0.000 0.419 346 E N 0.127 120.304 120.200 -0.040 0.000 2.293 346 E HA 0.682 5.032 4.350 -0.000 0.000 0.270 346 E C -1.176 175.369 176.600 -0.093 0.000 0.879 346 E CA -0.285 56.098 56.400 -0.029 0.000 0.756 346 E CB 2.185 31.901 29.700 0.026 0.000 1.208 346 E HN 0.534 nan 8.360 nan 0.000 0.428 347 I N 2.345 122.872 120.570 -0.071 0.000 2.354 347 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 347 I C -0.444 175.680 176.117 0.012 0.000 0.989 347 I CA -0.687 60.574 61.300 -0.065 0.000 1.188 347 I CB 1.145 39.134 38.000 -0.020 0.000 1.342 347 I HN 0.238 nan 8.210 nan 0.000 0.457 348 E N 5.128 125.349 120.200 0.035 0.000 2.220 348 E HA 0.327 4.677 4.350 -0.000 0.000 0.256 348 E C 0.041 176.695 176.600 0.089 0.000 0.881 348 E CA -0.141 56.288 56.400 0.049 0.000 0.766 348 E CB 1.810 31.527 29.700 0.029 0.000 1.187 348 E HN 0.724 nan 8.360 nan 0.000 0.419 349 S N 3.819 119.572 115.700 0.087 0.000 4.112 349 S HA -0.301 4.169 4.470 -0.000 0.000 0.602 349 S C 0.725 175.414 174.600 0.148 0.000 1.939 349 S CA 1.937 60.189 58.200 0.087 0.000 4.230 349 S CB -0.979 62.255 63.200 0.056 0.000 0.245 349 S HN 0.765 nan 8.310 nan 0.000 0.530 350 N N 2.174 120.950 118.700 0.126 0.000 2.327 350 N HA 0.225 4.965 4.740 -0.000 0.000 0.231 350 N C -0.125 175.586 175.510 0.334 0.000 1.130 350 N CA 0.835 53.969 53.050 0.140 0.000 0.845 350 N CB 0.152 38.642 38.487 0.005 0.000 1.073 350 N HN 0.858 nan 8.380 nan 0.000 0.496 351 T N -1.991 112.794 114.554 0.386 0.000 2.933 351 T HA 0.510 4.860 4.350 -0.000 0.000 0.305 351 T C -0.942 173.763 174.700 0.008 0.000 1.092 351 T CA -0.666 61.593 62.100 0.266 0.000 1.008 351 T CB 1.680 70.609 68.868 0.103 0.000 1.102 351 T HN -0.030 nan 8.240 nan 0.000 0.469 352 V N 3.289 123.049 119.914 -0.256 0.000 2.398 352 V HA 0.590 4.710 4.120 -0.000 0.000 0.286 352 V C -0.083 175.863 176.094 -0.248 0.000 1.026 352 V CA -1.144 60.903 62.300 -0.421 0.000 0.868 352 V CB 1.075 32.480 31.823 -0.698 0.000 0.982 352 V HN 0.808 nan 8.190 nan 0.000 0.443 353 I N 3.393 123.831 120.570 -0.220 0.000 2.312 353 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 353 I C 0.148 176.020 176.117 -0.409 0.000 1.031 353 I CA 0.003 61.151 61.300 -0.254 0.000 1.293 353 I CB 0.747 38.640 38.000 -0.179 0.000 1.403 353 I HN 0.653 nan 8.210 nan 0.000 0.484 354 C N 6.318 125.378 119.300 -0.400 0.000 2.341 354 C HA 0.434 4.894 4.460 -0.000 0.000 0.338 354 C C 0.369 175.074 174.990 -0.475 0.000 1.257 354 C CA -0.531 58.272 59.018 -0.358 0.000 1.883 354 C CB 0.360 28.000 27.740 -0.167 0.000 2.334 354 C HN 0.610 nan 8.230 nan 0.000 0.524 355 H N 1.515 120.600 119.070 0.025 0.000 2.736 355 H HA 0.280 4.836 4.556 -0.000 0.000 0.271 355 H C 0.609 175.977 175.328 0.066 0.000 1.184 355 H CA -0.055 56.018 56.048 0.041 0.000 1.378 355 H CB 0.806 30.593 29.762 0.042 0.000 1.428 355 H HN 0.944 nan 8.280 nan 0.000 0.500 356 G N 1.747 110.611 108.800 0.107 0.000 2.391 356 G HA2 0.258 4.218 3.960 -0.000 0.000 0.234 356 G HA3 0.258 4.218 3.960 -0.000 0.000 0.234 356 G C 0.479 175.438 174.900 0.099 0.000 1.284 356 G CA -0.006 45.139 45.100 0.075 0.000 0.873 356 G HN 0.424 nan 8.290 nan 0.000 0.549 357 V N -0.123 119.831 119.914 0.066 0.000 3.046 357 V HA 0.572 4.691 4.120 -0.000 0.000 0.316 357 V C 0.967 177.078 176.094 0.029 0.000 1.104 357 V CA -0.703 61.636 62.300 0.065 0.000 1.006 357 V CB 1.937 33.787 31.823 0.044 0.000 1.058 357 V HN 0.808 nan 8.190 nan 0.000 0.440 358 E N 0.803 121.019 120.200 0.028 0.000 2.015 358 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 358 E C 0.225 176.827 176.600 0.003 0.000 0.991 358 E CA 1.287 57.697 56.400 0.015 0.000 0.802 358 E CB 0.217 29.927 29.700 0.017 0.000 0.759 358 E HN 0.709 nan 8.360 nan 0.000 0.447 359 K N 0.067 120.466 120.400 -0.002 0.000 2.426 359 K HA 0.407 4.727 4.320 -0.000 0.000 0.251 359 K C -1.034 175.551 176.600 -0.026 0.000 0.941 359 K CA -0.544 55.736 56.287 -0.012 0.000 0.808 359 K CB 2.260 34.756 32.500 -0.007 0.000 1.265 359 K HN -0.029 nan 8.250 nan 0.000 0.432 360 L N 1.017 122.222 121.223 -0.031 0.000 2.399 360 L HA 0.404 4.744 4.340 -0.000 0.000 0.265 360 L C -0.066 176.785 176.870 -0.032 0.000 1.089 360 L CA -0.629 54.185 54.840 -0.043 0.000 0.802 360 L CB 1.731 43.765 42.059 -0.042 0.000 1.180 360 L HN 0.571 nan 8.230 nan 0.000 0.454 361 S N -0.001 115.678 115.700 -0.035 0.000 2.454 361 S HA 0.482 4.952 4.470 -0.000 0.000 0.306 361 S C 0.190 174.779 174.600 -0.018 0.000 1.100 361 S CA -0.704 57.482 58.200 -0.022 0.000 1.087 361 S CB 1.683 64.871 63.200 -0.021 0.000 1.019 361 S HN 0.768 nan 8.310 nan 0.000 0.480 362 G N 1.377 110.170 108.800 -0.012 0.000 2.491 362 G HA2 0.521 4.481 3.960 -0.000 0.000 0.238 362 G HA3 0.521 4.481 3.960 -0.000 0.000 0.238 362 G C -0.199 174.698 174.900 -0.005 0.000 1.277 362 G CA 0.161 45.257 45.100 -0.007 0.000 0.851 362 G HN 1.019 nan 8.290 nan 0.000 0.573 363 A N 1.570 124.390 122.820 -0.001 0.000 2.511 363 A HA 0.665 4.985 4.320 -0.000 0.000 0.293 363 A C -0.752 176.836 177.584 0.006 0.000 1.098 363 A CA -0.775 51.263 52.037 0.001 0.000 0.643 363 A CB 0.758 19.755 19.000 -0.004 0.000 1.302 363 A HN 0.641 nan 8.150 nan 0.000 0.446 364 Q N 0.514 120.319 119.800 0.007 0.000 2.322 364 Q HA 0.508 4.847 4.340 -0.000 0.000 0.256 364 Q C -0.207 175.797 176.000 0.008 0.000 0.960 364 Q CA -0.541 55.269 55.803 0.011 0.000 0.934 364 Q CB 1.463 30.209 28.738 0.013 0.000 1.200 364 Q HN 0.919 nan 8.270 nan 0.000 0.435 365 V N -0.148 119.771 119.914 0.008 0.000 3.046 365 V HA 0.708 4.828 4.120 -0.000 0.000 0.316 365 V C -0.687 175.408 176.094 0.001 0.000 1.104 365 V CA -1.275 61.027 62.300 0.004 0.000 1.006 365 V CB 2.226 34.050 31.823 0.002 0.000 1.058 365 V HN 0.832 nan 8.190 nan 0.000 0.440 366 M N 2.715 122.314 119.600 -0.002 0.000 2.253 366 M HA 0.795 5.275 4.480 -0.000 0.000 0.314 366 M C -0.106 176.177 176.300 -0.028 0.000 1.019 366 M CA -0.630 54.666 55.300 -0.007 0.000 0.932 366 M CB 1.520 34.125 32.600 0.007 0.000 1.606 366 M HN 1.212 nan 8.290 nan 0.000 0.430 367 A N 2.849 125.638 122.820 -0.052 0.000 2.477 367 A HA 0.421 4.741 4.320 -0.000 0.000 0.246 367 A C 0.846 178.327 177.584 -0.171 0.000 1.078 367 A CA 0.242 52.213 52.037 -0.110 0.000 0.770 367 A CB -0.052 18.874 19.000 -0.123 0.000 1.011 367 A HN 0.961 nan 8.150 nan 0.000 0.494 368 T N -1.478 112.898 114.554 -0.297 0.000 2.959 368 T HA 0.362 4.712 4.350 -0.000 0.000 0.254 368 T C 0.030 174.301 174.700 -0.716 0.000 1.003 368 T CA 0.662 62.553 62.100 -0.348 0.000 0.950 368 T CB -0.399 68.388 68.868 -0.135 0.000 1.090 368 T HN 0.870 nan 8.240 nan 0.000 0.503 369 D N -0.842 119.089 120.400 -0.782 0.000 2.692 369 D HA 0.380 5.020 4.640 -0.000 0.000 0.290 369 D C 0.672 176.747 176.300 -0.375 0.000 1.281 369 D CA -0.928 52.693 54.000 -0.632 0.000 0.804 369 D CB 0.649 41.277 40.800 -0.286 0.000 1.331 369 D HN -0.105 nan 8.370 nan 0.000 0.432 370 L N 0.500 121.635 121.223 -0.147 0.000 1.963 370 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 370 L C 1.976 178.860 176.870 0.024 0.000 1.076 370 L CA 1.915 56.755 54.840 -0.001 0.000 0.772 370 L CB -0.692 41.390 42.059 0.038 0.000 0.892 370 L HN 0.488 nan 8.230 nan 0.000 0.435 371 R N -0.031 120.470 120.500 0.000 0.000 2.148 371 R HA 0.048 4.388 4.340 -0.000 0.000 0.227 371 R C 2.147 178.396 176.300 -0.086 0.000 1.103 371 R CA 1.159 57.266 56.100 0.011 0.000 0.983 371 R CB -1.458 28.841 30.300 -0.002 0.000 0.874 371 R HN 0.584 nan 8.270 nan 0.000 0.451 372 A N 1.321 124.066 122.820 -0.124 0.000 1.898 372 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 372 A C 2.362 179.879 177.584 -0.111 0.000 1.181 372 A CA 1.773 53.733 52.037 -0.128 0.000 0.620 372 A CB -0.557 18.409 19.000 -0.056 0.000 0.819 372 A HN 0.436 nan 8.150 nan 0.000 0.442 373 S N 0.522 116.141 115.700 -0.134 0.000 2.370 373 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 373 S C 2.109 176.623 174.600 -0.144 0.000 1.033 373 S CA 1.559 59.678 58.200 -0.134 0.000 1.011 373 S CB -0.788 62.327 63.200 -0.141 0.000 0.852 373 S HN 0.945 nan 8.310 nan 0.000 0.457 374 A N 1.547 124.253 122.820 -0.189 0.000 1.933 374 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 374 A C 2.465 179.926 177.584 -0.205 0.000 1.175 374 A CA 1.806 53.655 52.037 -0.314 0.000 0.628 374 A CB -1.165 17.522 19.000 -0.522 0.000 0.814 374 A HN 0.579 nan 8.150 nan 0.000 0.444 375 S N -0.039 115.573 115.700 -0.146 0.000 2.368 375 S HA -0.063 4.406 4.470 -0.000 0.000 0.224 375 S C 1.793 176.351 174.600 -0.070 0.000 1.029 375 S CA 1.362 59.497 58.200 -0.109 0.000 0.988 375 S CB -0.426 62.703 63.200 -0.118 0.000 0.838 375 S HN 0.524 nan 8.310 nan 0.000 0.462 376 L N 1.045 122.235 121.223 -0.054 0.000 2.141 376 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 376 L C 2.271 179.130 176.870 -0.019 0.000 1.094 376 L CA 0.737 55.562 54.840 -0.025 0.000 0.763 376 L CB -0.631 41.416 42.059 -0.020 0.000 0.908 376 L HN 0.209 nan 8.230 nan 0.000 0.437 377 V N 0.125 120.023 119.914 -0.027 0.000 2.358 377 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 377 V C 2.383 178.461 176.094 -0.026 0.000 1.047 377 V CA 1.438 63.745 62.300 0.013 0.000 1.035 377 V CB -0.258 31.596 31.823 0.052 0.000 0.658 377 V HN 0.343 nan 8.190 nan 0.000 0.452 378 L N 0.064 121.246 121.223 -0.068 0.000 2.083 378 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 378 L C 2.733 179.576 176.870 -0.044 0.000 1.083 378 L CA 1.447 56.247 54.840 -0.067 0.000 0.752 378 L CB -0.830 41.171 42.059 -0.097 0.000 0.899 378 L HN 0.371 nan 8.230 nan 0.000 0.433 379 A N 0.535 123.332 122.820 -0.037 0.000 1.902 379 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 379 A C 2.421 179.993 177.584 -0.020 0.000 1.181 379 A CA 1.787 53.808 52.037 -0.027 0.000 0.623 379 A CB -1.258 17.730 19.000 -0.019 0.000 0.818 379 A HN 0.437 nan 8.150 nan 0.000 0.443 380 G N -1.010 107.783 108.800 -0.012 0.000 2.422 380 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 380 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 380 G C 1.544 176.436 174.900 -0.013 0.000 1.146 380 G CA 1.293 46.389 45.100 -0.006 0.000 0.769 380 G HN 0.530 nan 8.290 nan 0.000 0.547 381 C N 0.695 119.984 119.300 -0.019 0.000 2.425 381 C HA 0.018 4.478 4.460 -0.000 0.000 0.277 381 C C 2.641 177.620 174.990 -0.018 0.000 1.280 381 C CA 0.937 59.943 59.018 -0.021 0.000 1.744 381 C CB -0.882 26.846 27.740 -0.022 0.000 1.989 381 C HN 0.665 nan 8.230 nan 0.000 0.491 382 I N -1.192 119.367 120.570 -0.020 0.000 3.968 382 I HA 0.380 4.550 4.170 -0.000 0.000 0.328 382 I C 1.064 177.171 176.117 -0.017 0.000 1.290 382 I CA -0.105 61.185 61.300 -0.018 0.000 1.163 382 I CB -0.402 37.585 38.000 -0.021 0.000 1.024 382 I HN 0.068 nan 8.210 nan 0.000 0.413 383 A N 1.650 124.459 122.820 -0.017 0.000 2.346 383 A HA 0.290 4.610 4.320 -0.000 0.000 0.252 383 A C -0.101 177.475 177.584 -0.013 0.000 1.089 383 A CA -0.148 51.879 52.037 -0.017 0.000 0.797 383 A CB 0.240 19.229 19.000 -0.017 0.000 1.047 383 A HN 0.420 nan 8.150 nan 0.000 0.494 384 E N -0.188 120.005 120.200 -0.012 0.000 2.044 384 E HA 0.485 4.835 4.350 -0.000 0.000 0.282 384 E C 0.597 177.192 176.600 -0.008 0.000 1.031 384 E CA 1.366 57.760 56.400 -0.009 0.000 0.824 384 E CB 0.044 29.739 29.700 -0.008 0.000 1.076 384 E HN 1.427 nan 8.360 nan 0.000 0.395 385 G N 2.770 111.566 108.800 -0.007 0.000 2.378 385 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.198 385 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.198 385 G C -0.607 174.291 174.900 -0.004 0.000 1.223 385 G CA -0.434 44.663 45.100 -0.005 0.000 1.088 385 G HN 0.499 nan 8.290 nan 0.000 0.530 386 T N 1.425 115.978 114.554 -0.001 0.000 2.767 386 T HA 0.674 5.023 4.350 -0.000 0.000 0.284 386 T C -0.113 174.591 174.700 0.005 0.000 0.973 386 T CA 0.294 62.395 62.100 0.002 0.000 0.996 386 T CB 1.463 70.333 68.868 0.004 0.000 0.927 386 T HN 0.718 nan 8.240 nan 0.000 0.456 387 T N 2.695 117.254 114.554 0.009 0.000 2.856 387 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 387 T C -0.521 174.198 174.700 0.031 0.000 1.008 387 T CA -0.548 61.562 62.100 0.015 0.000 0.997 387 T CB 1.342 70.218 68.868 0.012 0.000 0.992 387 T HN 0.321 nan 8.240 nan 0.000 0.454 388 V N 3.552 123.486 119.914 0.033 0.000 2.376 388 V HA 0.371 4.491 4.120 -0.000 0.000 0.287 388 V C -0.312 175.809 176.094 0.044 0.000 1.015 388 V CA -0.795 61.534 62.300 0.049 0.000 0.834 388 V CB 1.691 33.538 31.823 0.039 0.000 1.001 388 V HN 0.725 nan 8.190 nan 0.000 0.428 389 V N 3.929 123.881 119.914 0.063 0.000 2.318 389 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 389 V C 0.068 176.158 176.094 -0.006 0.000 1.030 389 V CA -0.376 61.939 62.300 0.025 0.000 0.844 389 V CB 1.301 33.142 31.823 0.030 0.000 1.015 389 V HN 0.903 nan 8.190 nan 0.000 0.460 390 D N 4.326 124.721 120.400 -0.009 0.000 2.313 390 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 390 D C 0.965 177.237 176.300 -0.046 0.000 1.094 390 D CA -0.065 53.929 54.000 -0.010 0.000 0.925 390 D CB 0.517 41.326 40.800 0.014 0.000 1.188 390 D HN 0.432 nan 8.370 nan 0.000 0.430 391 R N 1.878 122.356 120.500 -0.037 0.000 3.872 391 R HA -0.168 4.172 4.340 -0.000 0.000 0.341 391 R C 1.140 177.231 176.300 -0.348 0.000 1.172 391 R CA 0.783 56.818 56.100 -0.110 0.000 0.901 391 R CB -2.859 27.386 30.300 -0.092 0.000 1.422 391 R HN 0.611 nan 8.270 nan 0.000 0.523 392 I N -1.342 119.050 120.570 -0.297 0.000 3.102 392 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 392 I C 2.177 178.075 176.117 -0.364 0.000 1.316 392 I CA 1.103 62.136 61.300 -0.445 0.000 1.425 392 I CB -1.152 36.310 38.000 -0.896 0.000 1.073 392 I HN 0.309 nan 8.210 nan 0.000 0.503 393 Y N -0.037 120.139 120.300 -0.206 0.000 2.256 393 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 393 Y C 2.411 178.227 175.900 -0.139 0.000 1.155 393 Y CA 1.510 59.502 58.100 -0.181 0.000 1.203 393 Y CB -1.703 36.635 38.460 -0.202 0.000 0.980 393 Y HN 0.223 nan 8.280 nan 0.000 0.530 394 H N 0.540 119.243 119.070 -0.612 0.000 2.353 394 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 394 H C 2.367 177.628 175.328 -0.112 0.000 1.103 394 H CA 2.066 57.907 56.048 -0.344 0.000 1.293 394 H CB -0.370 29.127 29.762 -0.442 0.000 1.372 394 H HN 0.503 nan 8.280 nan 0.000 0.501 395 I N 1.036 121.596 120.570 -0.015 0.000 2.493 395 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 395 I C 1.267 177.469 176.117 0.141 0.000 1.160 395 I CA 1.022 62.354 61.300 0.053 0.000 1.445 395 I CB 0.012 37.953 38.000 -0.097 0.000 1.086 395 I HN 0.086 nan 8.210 nan 0.000 0.433 396 D N 0.510 120.957 120.400 0.078 0.000 2.348 396 D HA -0.101 4.539 4.640 -0.000 0.000 0.216 396 D C 2.054 178.420 176.300 0.111 0.000 0.970 396 D CA 0.451 54.515 54.000 0.107 0.000 0.889 396 D CB -0.097 40.752 40.800 0.082 0.000 0.912 396 D HN 0.293 nan 8.370 nan 0.000 0.524 397 R N -0.015 120.553 120.500 0.114 0.000 2.115 397 R HA 0.035 4.374 4.340 -0.000 0.000 0.226 397 R C 1.828 178.165 176.300 0.061 0.000 1.100 397 R CA 0.938 57.092 56.100 0.090 0.000 0.980 397 R CB -0.141 30.219 30.300 0.100 0.000 0.875 397 R HN 0.192 nan 8.270 nan 0.000 0.445 398 G N -1.634 107.206 108.800 0.067 0.000 3.342 398 G HA2 0.110 4.070 3.960 -0.000 0.000 0.252 398 G HA3 0.110 4.070 3.960 -0.000 0.000 0.252 398 G C -0.523 174.229 174.900 -0.247 0.000 1.011 398 G CA -0.146 44.903 45.100 -0.084 0.000 0.869 398 G HN 0.070 nan 8.290 nan 0.000 0.514 399 Y N 0.733 121.062 120.300 0.047 0.000 2.338 399 Y HA 0.425 4.975 4.550 -0.000 0.000 0.333 399 Y C -0.052 175.903 175.900 0.092 0.000 0.968 399 Y CA -1.249 56.893 58.100 0.071 0.000 1.123 399 Y CB 1.784 40.281 38.460 0.062 0.000 1.165 399 Y HN 0.062 nan 8.280 nan 0.000 0.452 400 E N 4.466 124.793 120.200 0.213 0.000 2.180 400 E HA 0.235 4.585 4.350 -0.000 0.000 0.283 400 E C -0.201 176.516 176.600 0.194 0.000 1.061 400 E CA -0.356 56.143 56.400 0.164 0.000 0.861 400 E CB 0.301 30.065 29.700 0.108 0.000 1.056 400 E HN 0.696 nan 8.360 nan 0.000 0.407 401 R N 3.564 124.167 120.500 0.172 0.000 3.322 401 R HA -0.235 4.105 4.340 -0.000 0.000 0.253 401 R C 1.093 177.509 176.300 0.193 0.000 0.987 401 R CA 0.566 56.761 56.100 0.158 0.000 0.666 401 R CB -2.033 28.332 30.300 0.108 0.000 1.072 401 R HN 0.778 nan 8.270 nan 0.000 0.447 402 I N 0.603 121.323 120.570 0.251 0.000 2.361 402 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 402 I C 2.479 178.698 176.117 0.170 0.000 1.133 402 I CA 1.863 63.323 61.300 0.266 0.000 1.413 402 I CB -0.062 38.040 38.000 0.170 0.000 1.073 402 I HN 0.453 nan 8.210 nan 0.000 0.424 403 E N 0.696 120.966 120.200 0.116 0.000 2.058 403 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 403 E C 1.605 178.185 176.600 -0.033 0.000 0.997 403 E CA 1.894 58.251 56.400 -0.071 0.000 0.801 403 E CB 0.004 29.629 29.700 -0.126 0.000 0.746 403 E HN 0.510 nan 8.360 nan 0.000 0.450 404 D N 0.437 120.850 120.400 0.022 0.000 2.097 404 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 404 D C 1.903 178.210 176.300 0.012 0.000 0.984 404 D CA 1.054 55.060 54.000 0.011 0.000 0.826 404 D CB -0.142 40.672 40.800 0.023 0.000 0.973 404 D HN 0.179 nan 8.370 nan 0.000 0.460 405 K N 0.283 120.712 120.400 0.047 0.000 2.057 405 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 405 K C 2.322 178.941 176.600 0.032 0.000 1.049 405 K CA 0.576 56.862 56.287 -0.001 0.000 0.931 405 K CB -0.128 32.369 32.500 -0.005 0.000 0.714 405 K HN 0.149 nan 8.250 nan 0.000 0.440 406 L N 0.465 121.767 121.223 0.132 0.000 2.056 406 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 406 L C 2.754 179.639 176.870 0.025 0.000 1.078 406 L CA 1.002 55.916 54.840 0.124 0.000 0.749 406 L CB -0.314 41.796 42.059 0.086 0.000 0.901 406 L HN 0.186 nan 8.230 nan 0.000 0.433 407 R N 0.479 120.971 120.500 -0.013 0.000 2.091 407 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 407 R C 2.168 178.452 176.300 -0.026 0.000 1.136 407 R CA 1.503 57.582 56.100 -0.034 0.000 0.959 407 R CB -0.263 30.009 30.300 -0.048 0.000 0.856 407 R HN 0.329 nan 8.270 nan 0.000 0.437 408 A N 0.324 123.127 122.820 -0.028 0.000 2.225 408 A HA -0.049 4.270 4.320 -0.000 0.000 0.215 408 A C 1.729 179.290 177.584 -0.038 0.000 1.164 408 A CA 0.869 52.884 52.037 -0.037 0.000 0.710 408 A CB -0.191 18.778 19.000 -0.051 0.000 0.780 408 A HN 0.371 nan 8.150 nan 0.000 0.473 409 L N -2.054 119.155 121.223 -0.024 0.000 2.640 409 L HA 0.302 4.642 4.340 -0.000 0.000 0.230 409 L C 1.473 178.338 176.870 -0.007 0.000 1.123 409 L CA 0.560 55.392 54.840 -0.014 0.000 0.900 409 L CB 0.335 42.403 42.059 0.015 0.000 1.146 409 L HN 0.513 nan 8.230 nan 0.000 0.484 410 G N -0.044 108.749 108.800 -0.013 0.000 2.168 410 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.197 410 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.197 410 G C 0.312 175.202 174.900 -0.017 0.000 0.997 410 G CA -0.155 44.937 45.100 -0.015 0.000 0.658 410 G HN 0.387 nan 8.290 nan 0.000 0.513 411 A N 0.022 122.831 122.820 -0.018 0.000 2.371 411 A HA 0.623 4.943 4.320 -0.000 0.000 0.257 411 A C 0.467 178.023 177.584 -0.046 0.000 1.089 411 A CA 0.083 52.102 52.037 -0.030 0.000 0.794 411 A CB 0.457 19.438 19.000 -0.032 0.000 1.029 411 A HN 0.490 nan 8.150 nan 0.000 0.488 412 N N 1.867 120.538 118.700 -0.048 0.000 2.817 412 N HA 0.359 5.099 4.740 -0.000 0.000 0.234 412 N C -1.362 174.101 175.510 -0.077 0.000 1.066 412 N CA -0.042 52.976 53.050 -0.053 0.000 0.926 412 N CB 0.297 38.762 38.487 -0.036 0.000 1.176 412 N HN 0.662 nan 8.380 nan 0.000 0.506 413 I N 0.885 121.384 120.570 -0.117 0.000 2.647 413 I HA 0.448 4.618 4.170 -0.000 0.000 0.295 413 I C -1.214 174.778 176.117 -0.208 0.000 1.078 413 I CA -0.668 60.516 61.300 -0.193 0.000 1.048 413 I CB 2.139 39.958 38.000 -0.303 0.000 1.239 413 I HN 0.342 nan 8.210 nan 0.000 0.421 414 E N 6.878 126.957 120.200 -0.202 0.000 2.308 414 E HA 0.317 4.667 4.350 -0.000 0.000 0.275 414 E C -1.396 175.161 176.600 -0.071 0.000 0.890 414 E CA -0.917 55.407 56.400 -0.127 0.000 0.754 414 E CB 1.848 31.518 29.700 -0.050 0.000 1.207 414 E HN 0.626 nan 8.360 nan 0.000 0.426 415 R N 4.827 125.327 120.500 -0.001 0.000 2.565 415 R HA 0.204 4.544 4.340 -0.000 0.000 0.286 415 R C -0.190 176.200 176.300 0.149 0.000 1.256 415 R CA -0.365 55.861 56.100 0.209 0.000 1.238 415 R CB 0.042 30.530 30.300 0.314 0.000 1.153 415 R HN 0.396 nan 8.270 nan 0.000 0.553 416 V N 1.804 121.798 119.914 0.133 0.000 2.715 416 V HA 0.249 4.369 4.120 -0.000 0.000 0.299 416 V C 0.199 176.344 176.094 0.084 0.000 1.054 416 V CA -0.607 61.745 62.300 0.086 0.000 1.077 416 V CB 0.850 32.715 31.823 0.070 0.000 0.972 416 V HN 0.462 nan 8.190 nan 0.000 0.484 417 K N 3.066 123.502 120.400 0.060 0.000 2.155 417 K HA 0.352 4.672 4.320 -0.000 0.000 0.237 417 K C 1.151 177.775 176.600 0.040 0.000 1.040 417 K CA 0.296 56.613 56.287 0.050 0.000 0.912 417 K CB 0.248 32.772 32.500 0.039 0.000 1.137 417 K HN 1.378 nan 8.250 nan 0.000 0.498 418 G N 2.564 111.382 108.800 0.031 0.000 2.256 418 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.269 418 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.269 418 G C -0.342 174.573 174.900 0.024 0.000 0.443 418 G CA 1.445 46.559 45.100 0.023 0.000 1.051 418 G HN 0.568 nan 8.290 nan 0.000 0.442 419 E N 0.000 120.218 120.200 0.029 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.417 56.400 0.029 0.000 0.976 419 E CB 0.000 29.714 29.700 0.023 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440