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 1ybg_1_A 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 AFPTDMQAQF 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 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 D N 4.406 124.782 120.400 -0.040 0.000 2.400 2 D HA 0.547 5.187 4.640 0.000 0.000 0.238 2 D C -0.291 175.925 176.300 -0.139 0.000 1.157 2 D CA 0.764 54.708 54.000 -0.094 0.000 0.889 2 D CB 0.690 41.410 40.800 -0.133 0.000 1.199 2 D HN 0.630 nan 8.370 nan 0.000 0.436 3 K N -0.328 119.954 120.400 -0.196 0.000 2.578 3 K HA 0.465 4.785 4.320 0.000 0.000 0.287 3 K C -1.413 175.068 176.600 -0.198 0.000 1.010 3 K CA -0.892 55.269 56.287 -0.209 0.000 0.889 3 K CB 1.014 33.479 32.500 -0.059 0.000 1.514 3 K HN 0.240 nan 8.250 nan 0.000 0.424 4 F N 1.040 120.993 119.950 0.005 0.000 2.427 4 F HA 0.417 4.944 4.527 0.000 0.000 0.346 4 F C 0.357 176.155 175.800 -0.002 0.000 1.120 4 F CA -0.998 57.001 58.000 -0.001 0.000 1.033 4 F CB 2.072 41.064 39.000 -0.013 0.000 1.126 4 F HN 0.351 nan 8.300 nan 0.000 0.462 5 R N 4.044 124.679 120.500 0.225 0.000 2.229 5 R HA 0.636 4.976 4.340 0.000 0.000 0.332 5 R C -1.704 174.640 176.300 0.073 0.000 0.989 5 R CA -0.354 55.814 56.100 0.113 0.000 0.842 5 R CB 1.060 31.409 30.300 0.082 0.000 1.119 5 R HN 0.532 nan 8.270 nan 0.000 0.456 6 V N 4.078 124.018 119.914 0.043 0.000 2.715 6 V HA 0.385 4.505 4.120 0.000 0.000 0.310 6 V C -0.386 175.709 176.094 0.001 0.000 1.054 6 V CA -0.857 61.445 62.300 0.002 0.000 0.928 6 V CB 2.014 33.825 31.823 -0.020 0.000 1.007 6 V HN 0.749 nan 8.190 nan 0.000 0.437 7 Q N 1.535 121.329 119.800 -0.009 0.000 2.330 7 Q HA 0.673 5.013 4.340 0.000 0.000 0.269 7 Q C -0.171 175.821 176.000 -0.012 0.000 1.022 7 Q CA -0.411 55.389 55.803 -0.006 0.000 0.796 7 Q CB 2.731 31.466 28.738 -0.003 0.000 1.271 7 Q HN 0.977 nan 8.270 nan 0.000 0.450 8 G N 2.198 110.992 108.800 -0.010 0.000 2.818 8 G HA2 0.733 4.693 3.960 0.000 0.000 0.286 8 G HA3 0.733 4.693 3.960 0.000 0.000 0.286 8 G C -2.863 172.031 174.900 -0.010 0.000 1.364 8 G CA -1.245 43.848 45.100 -0.013 0.000 0.938 8 G HN 0.317 nan 8.290 nan 0.000 0.490 9 P HA 0.379 nan 4.420 nan 0.000 0.286 9 P C -0.744 176.549 177.300 -0.013 0.000 1.261 9 P CA -0.158 62.935 63.100 -0.013 0.000 0.821 9 P CB 1.686 33.379 31.700 -0.011 0.000 1.013 10 T N -0.812 113.733 114.554 -0.015 0.000 2.921 10 T HA 0.444 4.794 4.350 0.000 0.000 0.297 10 T C -0.272 174.419 174.700 -0.014 0.000 1.013 10 T CA -1.028 61.063 62.100 -0.014 0.000 0.990 10 T CB 1.579 70.436 68.868 -0.018 0.000 1.023 10 T HN 0.420 nan 8.240 nan 0.000 0.447 11 R N 2.871 123.365 120.500 -0.011 0.000 2.389 11 R HA 0.473 4.813 4.340 0.000 0.000 0.295 11 R C -0.720 175.575 176.300 -0.009 0.000 1.075 11 R CA -0.631 55.463 56.100 -0.010 0.000 1.005 11 R CB 0.226 30.521 30.300 -0.008 0.000 0.987 11 R HN 0.704 nan 8.270 nan 0.000 0.452 12 L N 6.470 127.690 121.223 -0.005 0.000 2.255 12 L HA 0.292 4.632 4.340 0.000 0.000 0.289 12 L C -0.160 176.711 176.870 0.003 0.000 1.046 12 L CA -0.213 54.630 54.840 0.004 0.000 0.816 12 L CB 0.955 43.026 42.059 0.021 0.000 1.197 12 L HN 0.751 nan 8.230 nan 0.000 0.427 13 Q N 2.862 122.658 119.800 -0.006 0.000 2.482 13 Q HA 0.845 5.185 4.340 0.000 0.000 0.286 13 Q C -0.344 175.640 176.000 -0.026 0.000 1.007 13 Q CA -0.469 55.325 55.803 -0.014 0.000 0.801 13 Q CB 3.036 31.764 28.738 -0.018 0.000 1.455 13 Q HN 0.604 nan 8.270 nan 0.000 0.398 14 G N 0.867 109.647 108.800 -0.033 0.000 2.204 14 G HA2 0.006 3.966 3.960 0.000 0.000 0.153 14 G HA3 0.006 3.966 3.960 0.000 0.000 0.153 14 G C -1.440 173.425 174.900 -0.057 0.000 1.295 14 G CA -0.266 44.806 45.100 -0.047 0.000 1.257 14 G HN 0.673 nan 8.290 nan 0.000 0.495 15 E N -1.357 118.797 120.200 -0.077 0.000 2.408 15 E HA 0.629 4.979 4.350 0.000 0.000 0.275 15 E C -1.599 174.915 176.600 -0.145 0.000 0.935 15 E CA -0.751 55.594 56.400 -0.092 0.000 0.775 15 E CB 3.126 32.776 29.700 -0.083 0.000 1.277 15 E HN 0.983 nan 8.360 nan 0.000 0.455 16 V N 0.778 120.590 119.914 -0.170 0.000 2.932 16 V HA 0.376 4.496 4.120 0.000 0.000 0.307 16 V C -1.374 174.615 176.094 -0.176 0.000 1.147 16 V CA -0.262 61.872 62.300 -0.275 0.000 0.951 16 V CB 2.412 33.876 31.823 -0.599 0.000 1.031 16 V HN 0.716 nan 8.190 nan 0.000 0.426 17 T N 7.636 122.102 114.554 -0.146 0.000 2.749 17 T HA 0.511 4.861 4.350 0.000 0.000 0.287 17 T C -0.076 174.592 174.700 -0.053 0.000 0.970 17 T CA -0.235 61.823 62.100 -0.070 0.000 0.980 17 T CB 0.495 69.335 68.868 -0.047 0.000 0.924 17 T HN 0.458 nan 8.240 nan 0.000 0.456 18 I N 3.420 123.985 120.570 -0.009 0.000 2.556 18 I HA 0.121 4.291 4.170 0.000 0.000 0.284 18 I C 1.226 177.360 176.117 0.027 0.000 1.114 18 I CA 0.118 61.440 61.300 0.036 0.000 1.418 18 I CB 0.365 38.401 38.000 0.059 0.000 1.394 18 I HN 0.576 nan 8.210 nan 0.000 0.552 19 S N 4.312 120.037 115.700 0.043 0.000 2.634 19 S HA 0.420 4.890 4.470 0.000 0.000 0.261 19 S C 0.634 175.235 174.600 0.001 0.000 1.271 19 S CA -0.560 57.653 58.200 0.021 0.000 0.985 19 S CB 0.985 64.206 63.200 0.033 0.000 0.968 19 S HN 0.834 nan 8.310 nan 0.000 0.568 20 G N 0.012 108.804 108.800 -0.015 0.000 2.432 20 G HA2 0.487 4.447 3.960 0.000 0.000 0.257 20 G HA3 0.487 4.447 3.960 0.000 0.000 0.257 20 G C -0.229 174.652 174.900 -0.033 0.000 1.238 20 G CA -0.524 44.560 45.100 -0.028 0.000 0.838 20 G HN 0.861 nan 8.290 nan 0.000 0.547 21 A N 2.226 125.023 122.820 -0.038 0.000 2.444 21 A HA 0.299 4.619 4.320 0.000 0.000 0.273 21 A C 1.606 179.166 177.584 -0.040 0.000 1.136 21 A CA -0.044 51.964 52.037 -0.049 0.000 0.799 21 A CB 0.318 19.287 19.000 -0.052 0.000 1.081 21 A HN 0.908 nan 8.150 nan 0.000 0.509 22 K N 2.668 123.046 120.400 -0.036 0.000 2.147 22 K HA -0.180 4.140 4.320 0.000 0.000 0.205 22 K C 0.492 177.104 176.600 0.019 0.000 1.049 22 K CA 1.808 58.090 56.287 -0.009 0.000 0.936 22 K CB -0.162 32.338 32.500 0.001 0.000 0.722 22 K HN 0.633 nan 8.250 nan 0.000 0.446 23 N N 1.006 119.711 118.700 0.008 0.000 2.443 23 N HA -0.105 4.635 4.740 0.000 0.000 0.184 23 N C 1.457 176.977 175.510 0.017 0.000 1.037 23 N CA 1.302 54.379 53.050 0.045 0.000 0.896 23 N CB -0.010 38.486 38.487 0.015 0.000 0.959 23 N HN 0.459 nan 8.380 nan 0.000 0.442 24 A N 0.270 123.073 122.820 -0.027 0.000 1.963 24 A HA 0.424 4.744 4.320 0.000 0.000 0.207 24 A C 2.255 179.777 177.584 -0.103 0.000 1.243 24 A CA 0.832 52.827 52.037 -0.069 0.000 0.728 24 A CB -0.565 18.404 19.000 -0.051 0.000 0.895 24 A HN 0.197 nan 8.150 nan 0.000 0.467 25 A N 0.457 123.231 122.820 -0.076 0.000 1.883 25 A HA -0.110 4.210 4.320 0.000 0.000 0.217 25 A C 2.143 179.674 177.584 -0.088 0.000 1.186 25 A CA 1.619 53.592 52.037 -0.107 0.000 0.624 25 A CB -0.813 18.142 19.000 -0.076 0.000 0.822 25 A HN 0.457 nan 8.150 nan 0.000 0.444 26 L N -0.055 121.186 121.223 0.030 0.000 1.956 26 L HA -0.172 4.168 4.340 0.000 0.000 0.216 26 L C -0.212 176.764 176.870 0.177 0.000 1.073 26 L CA 2.201 57.164 54.840 0.204 0.000 0.762 26 L CB -1.565 40.745 42.059 0.418 0.000 0.889 26 L HN 0.309 nan 8.230 nan 0.000 0.433 27 P HA -0.179 nan 4.420 nan 0.000 0.219 27 P C 1.794 178.907 177.300 -0.312 0.000 1.146 27 P CA 1.667 64.404 63.100 -0.605 0.000 0.808 27 P CB 0.005 31.137 31.700 -0.947 0.000 0.779 28 I N -0.705 119.677 120.570 -0.315 0.000 2.233 28 I HA -0.182 3.988 4.170 0.000 0.000 0.243 28 I C 2.643 178.495 176.117 -0.441 0.000 1.093 28 I CA 1.014 61.994 61.300 -0.533 0.000 1.380 28 I CB -0.608 36.941 38.000 -0.752 0.000 1.067 28 I HN -0.157 nan 8.210 nan 0.000 0.413 29 L N -0.209 120.837 121.223 -0.294 0.000 2.043 29 L HA -0.252 4.088 4.340 0.000 0.000 0.212 29 L C 2.469 179.231 176.870 -0.180 0.000 1.075 29 L CA 1.717 56.404 54.840 -0.255 0.000 0.752 29 L CB -0.575 41.312 42.059 -0.287 0.000 0.891 29 L HN 0.160 nan 8.230 nan 0.000 0.432 30 F N -0.609 119.328 119.950 -0.022 0.000 2.259 30 F HA -0.091 4.436 4.527 0.000 0.000 0.298 30 F C 2.538 178.370 175.800 0.053 0.000 1.088 30 F CA 0.807 58.841 58.000 0.058 0.000 1.358 30 F CB -0.410 38.673 39.000 0.138 0.000 1.040 30 F HN -0.005 nan 8.300 nan 0.000 0.505 31 A N 0.170 123.095 122.820 0.175 0.000 1.972 31 A HA -0.086 4.234 4.320 0.000 0.000 0.219 31 A C 2.368 180.116 177.584 0.274 0.000 1.169 31 A CA 1.423 53.576 52.037 0.193 0.000 0.635 31 A CB -1.187 17.941 19.000 0.214 0.000 0.810 31 A HN 0.288 nan 8.150 nan 0.000 0.446 32 A N -0.155 122.825 122.820 0.266 0.000 2.084 32 A HA -0.111 4.209 4.320 0.000 0.000 0.221 32 A C 2.001 179.700 177.584 0.191 0.000 1.161 32 A CA 1.453 53.657 52.037 0.278 0.000 0.653 32 A CB -0.674 18.424 19.000 0.164 0.000 0.802 32 A HN 0.516 nan 8.150 nan 0.000 0.457 33 L N -0.925 120.412 121.223 0.189 0.000 2.261 33 L HA -0.186 4.154 4.340 0.000 0.000 0.216 33 L C 2.158 179.151 176.870 0.205 0.000 1.114 33 L CA 0.864 55.839 54.840 0.225 0.000 0.777 33 L CB -0.383 41.845 42.059 0.281 0.000 0.910 33 L HN 0.427 nan 8.230 nan 0.000 0.440 34 L N -0.553 120.750 121.223 0.134 0.000 2.395 34 L HA 0.068 4.408 4.340 0.000 0.000 0.218 34 L C 1.382 178.256 176.870 0.007 0.000 1.130 34 L CA -0.336 54.527 54.840 0.038 0.000 0.826 34 L CB -0.435 41.628 42.059 0.006 0.000 0.941 34 L HN 0.121 nan 8.230 nan 0.000 0.451 35 A N 0.366 123.214 122.820 0.047 0.000 2.451 35 A HA 0.046 4.366 4.320 0.000 0.000 0.266 35 A C 1.109 178.719 177.584 0.043 0.000 1.119 35 A CA -0.120 51.931 52.037 0.023 0.000 0.786 35 A CB 0.214 19.247 19.000 0.054 0.000 1.061 35 A HN 0.302 nan 8.150 nan 0.000 0.503 36 E N 1.485 121.692 120.200 0.012 0.000 2.230 36 E HA -0.044 4.306 4.350 0.000 0.000 0.192 36 E C 0.181 176.807 176.600 0.043 0.000 0.987 36 E CA 0.750 57.166 56.400 0.027 0.000 0.841 36 E CB 0.247 29.945 29.700 -0.003 0.000 0.783 36 E HN 0.875 nan 8.360 nan 0.000 0.481 37 E N 0.025 120.247 120.200 0.036 0.000 2.249 37 E HA 0.278 4.628 4.350 0.000 0.000 0.263 37 E C -2.574 174.067 176.600 0.068 0.000 0.950 37 E CA -2.435 53.993 56.400 0.046 0.000 0.827 37 E CB 1.445 31.164 29.700 0.032 0.000 1.220 37 E HN -0.141 nan 8.360 nan 0.000 0.411 38 P HA -0.049 nan 4.420 nan 0.000 0.266 38 P C -1.172 176.208 177.300 0.133 0.000 1.193 38 P CA 0.255 63.425 63.100 0.117 0.000 0.770 38 P CB 0.460 32.232 31.700 0.120 0.000 0.836 39 V N 2.492 122.505 119.914 0.164 0.000 2.709 39 V HA 0.300 4.420 4.120 0.000 0.000 0.308 39 V C -0.101 176.076 176.094 0.138 0.000 1.062 39 V CA -0.512 61.887 62.300 0.165 0.000 0.901 39 V CB 1.985 33.929 31.823 0.202 0.000 1.003 39 V HN 0.477 nan 8.190 nan 0.000 0.425 40 E N 4.415 124.664 120.200 0.083 0.000 2.092 40 E HA 0.503 4.853 4.350 0.000 0.000 0.271 40 E C -1.258 175.256 176.600 -0.144 0.000 0.919 40 E CA -0.506 55.797 56.400 -0.162 0.000 0.760 40 E CB 1.163 30.793 29.700 -0.115 0.000 1.106 40 E HN 0.629 nan 8.360 nan 0.000 0.408 41 I N 4.931 125.356 120.570 -0.242 0.000 2.307 41 I HA 0.134 4.304 4.170 0.000 0.000 0.289 41 I C 0.231 176.196 176.117 -0.254 0.000 1.021 41 I CA -0.421 60.781 61.300 -0.162 0.000 1.224 41 I CB 1.174 39.057 38.000 -0.194 0.000 1.376 41 I HN 0.373 nan 8.210 nan 0.000 0.470 42 Q N 4.572 124.267 119.800 -0.175 0.000 2.214 42 Q HA 0.315 4.655 4.340 0.000 0.000 0.251 42 Q C 0.146 176.066 176.000 -0.134 0.000 0.936 42 Q CA -0.760 54.931 55.803 -0.188 0.000 0.894 42 Q CB 0.995 29.645 28.738 -0.147 0.000 1.252 42 Q HN 0.572 nan 8.270 nan 0.000 0.448 43 N N -0.314 118.312 118.700 -0.122 0.000 2.814 43 N HA -0.151 4.589 4.740 0.000 0.000 0.247 43 N C -1.930 173.534 175.510 -0.077 0.000 1.089 43 N CA 0.224 53.224 53.050 -0.084 0.000 0.682 43 N CB -0.936 37.508 38.487 -0.072 0.000 0.970 43 N HN 0.342 nan 8.380 nan 0.000 0.554 44 V N 1.615 121.475 119.914 -0.091 0.000 2.394 44 V HA 0.574 4.694 4.120 0.000 0.000 0.282 44 V C -1.451 174.613 176.094 -0.049 0.000 1.031 44 V CA -1.186 61.067 62.300 -0.078 0.000 0.881 44 V CB 1.599 33.359 31.823 -0.104 0.000 0.982 44 V HN 0.195 nan 8.190 nan 0.000 0.451 45 P HA 0.244 nan 4.420 nan 0.000 0.274 45 P C -0.955 176.344 177.300 -0.001 0.000 1.246 45 P CA -0.589 62.506 63.100 -0.007 0.000 0.795 45 P CB 1.009 32.709 31.700 -0.000 0.000 1.006 46 K N 1.782 122.191 120.400 0.016 0.000 2.296 46 K HA 0.479 4.799 4.320 0.000 0.000 0.257 46 K C -0.384 176.235 176.600 0.033 0.000 1.088 46 K CA -0.245 56.055 56.287 0.021 0.000 0.980 46 K CB 0.108 32.624 32.500 0.026 0.000 1.430 46 K HN 0.405 nan 8.250 nan 0.000 0.441 47 L N 1.156 122.396 121.223 0.028 0.000 2.376 47 L HA 0.332 4.672 4.340 0.000 0.000 0.258 47 L C 1.427 178.316 176.870 0.031 0.000 1.013 47 L CA -0.973 53.890 54.840 0.038 0.000 0.822 47 L CB 1.640 43.724 42.059 0.041 0.000 1.388 47 L HN 0.365 nan 8.230 nan 0.000 0.413 48 K N 0.756 121.177 120.400 0.035 0.000 2.052 48 K HA -0.255 4.065 4.320 0.000 0.000 0.215 48 K C 0.929 177.544 176.600 0.024 0.000 1.053 48 K CA 2.550 58.852 56.287 0.025 0.000 0.934 48 K CB 0.005 32.521 32.500 0.026 0.000 0.717 48 K HN 0.706 nan 8.250 nan 0.000 0.450 49 D N 0.614 121.036 120.400 0.037 0.000 2.218 49 D HA -0.141 4.499 4.640 0.000 0.000 0.204 49 D C 1.970 178.295 176.300 0.042 0.000 0.976 49 D CA 0.747 54.777 54.000 0.050 0.000 0.853 49 D CB -0.031 40.813 40.800 0.072 0.000 0.939 49 D HN 0.264 nan 8.370 nan 0.000 0.481 50 I N 1.496 122.079 120.570 0.023 0.000 2.286 50 I HA -0.171 3.999 4.170 0.000 0.000 0.245 50 I C 1.803 177.910 176.117 -0.016 0.000 1.104 50 I CA 1.053 62.350 61.300 -0.005 0.000 1.397 50 I CB -0.807 37.187 38.000 -0.010 0.000 1.072 50 I HN -0.059 nan 8.210 nan 0.000 0.417 51 D N 0.701 121.099 120.400 -0.003 0.000 2.084 51 D HA -0.149 4.491 4.640 0.000 0.000 0.194 51 D C 2.118 178.411 176.300 -0.012 0.000 0.990 51 D CA 1.770 55.766 54.000 -0.007 0.000 0.826 51 D CB -0.407 40.393 40.800 -0.000 0.000 0.971 51 D HN 0.238 nan 8.370 nan 0.000 0.453 52 T N 0.717 115.270 114.554 -0.001 0.000 2.699 52 T HA -0.139 4.211 4.350 0.000 0.000 0.268 52 T C 2.033 176.733 174.700 -0.000 0.000 1.036 52 T CA 1.870 63.973 62.100 0.004 0.000 1.147 52 T CB -0.511 68.368 68.868 0.019 0.000 0.862 52 T HN 0.171 nan 8.240 nan 0.000 0.446 53 T N 2.048 116.592 114.554 -0.017 0.000 2.746 53 T HA 0.000 4.350 4.350 0.000 0.000 0.267 53 T C 2.049 176.650 174.700 -0.164 0.000 1.039 53 T CA 1.111 63.136 62.100 -0.125 0.000 1.142 53 T CB -0.345 68.388 68.868 -0.225 0.000 0.866 53 T HN 0.327 nan 8.240 nan 0.000 0.444 54 M N 0.490 120.026 119.600 -0.106 0.000 2.159 54 M HA -0.097 4.383 4.480 0.000 0.000 0.263 54 M C 2.332 178.601 176.300 -0.051 0.000 1.063 54 M CA 1.572 56.825 55.300 -0.078 0.000 1.110 54 M CB -0.298 32.277 32.600 -0.042 0.000 1.374 54 M HN 0.165 nan 8.290 nan 0.000 0.411 55 K N 0.401 120.779 120.400 -0.035 0.000 2.001 55 K HA -0.114 4.206 4.320 0.000 0.000 0.208 55 K C 1.953 178.540 176.600 -0.020 0.000 1.048 55 K CA 1.144 57.417 56.287 -0.022 0.000 0.932 55 K CB -0.370 32.120 32.500 -0.016 0.000 0.715 55 K HN 0.280 nan 8.250 nan 0.000 0.437 56 L N 1.542 122.758 121.223 -0.012 0.000 2.013 56 L HA -0.246 4.094 4.340 0.000 0.000 0.212 56 L C 2.205 179.077 176.870 0.003 0.000 1.073 56 L CA 1.316 56.166 54.840 0.017 0.000 0.753 56 L CB -0.208 41.900 42.059 0.082 0.000 0.890 56 L HN 0.208 nan 8.230 nan 0.000 0.432 57 L N -1.078 120.118 121.223 -0.045 0.000 1.989 57 L HA -0.257 4.083 4.340 0.000 0.000 0.211 57 L C 2.515 179.372 176.870 -0.022 0.000 1.071 57 L CA 2.003 56.819 54.840 -0.040 0.000 0.749 57 L CB -1.096 40.909 42.059 -0.089 0.000 0.890 57 L HN 0.286 nan 8.230 nan 0.000 0.431 58 T N -0.904 113.635 114.554 -0.026 0.000 2.699 58 T HA -0.279 4.071 4.350 0.000 0.000 0.268 58 T C 1.675 176.357 174.700 -0.031 0.000 1.036 58 T CA 1.341 63.428 62.100 -0.021 0.000 1.147 58 T CB -0.250 68.608 68.868 -0.017 0.000 0.862 58 T HN 0.394 nan 8.240 nan 0.000 0.446 59 Q N 0.062 119.845 119.800 -0.029 0.000 2.466 59 Q HA 0.191 4.532 4.340 0.000 0.000 0.210 59 Q C 1.341 177.305 176.000 -0.060 0.000 0.961 59 Q CA 0.350 56.129 55.803 -0.040 0.000 0.953 59 Q CB -0.102 28.619 28.738 -0.028 0.000 1.011 59 Q HN 0.505 nan 8.270 nan 0.000 0.516 60 L N -1.851 119.337 121.223 -0.059 0.000 2.766 60 L HA 0.279 4.619 4.340 0.000 0.000 0.242 60 L C 1.013 177.797 176.870 -0.144 0.000 1.136 60 L CA 0.263 55.044 54.840 -0.098 0.000 0.933 60 L CB 0.707 42.748 42.059 -0.029 0.000 1.241 60 L HN 0.321 nan 8.230 nan 0.000 0.522 61 G N 0.403 109.144 108.800 -0.098 0.000 2.179 61 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 61 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 61 G C 0.406 175.283 174.900 -0.038 0.000 0.990 61 G CA 0.245 45.291 45.100 -0.090 0.000 0.646 61 G HN 0.284 nan 8.290 nan 0.000 0.517 62 T N 0.198 114.744 114.554 -0.014 0.000 2.856 62 T HA 0.575 4.925 4.350 0.000 0.000 0.292 62 T C 0.371 175.082 174.700 0.018 0.000 0.980 62 T CA -0.113 62.000 62.100 0.021 0.000 1.091 62 T CB 0.715 69.608 68.868 0.042 0.000 0.936 62 T HN 0.295 nan 8.240 nan 0.000 0.503 63 K N 3.333 123.753 120.400 0.033 0.000 2.312 63 K HA 0.527 4.847 4.320 0.000 0.000 0.287 63 K C -0.829 175.802 176.600 0.052 0.000 1.062 63 K CA -0.589 55.718 56.287 0.033 0.000 0.934 63 K CB 1.124 33.644 32.500 0.034 0.000 1.027 63 K HN 0.407 nan 8.250 nan 0.000 0.478 64 V N 3.152 123.094 119.914 0.045 0.000 2.735 64 V HA 0.421 4.541 4.120 0.000 0.000 0.310 64 V C -0.630 175.513 176.094 0.083 0.000 1.061 64 V CA -0.821 61.518 62.300 0.065 0.000 0.913 64 V CB 1.726 33.565 31.823 0.027 0.000 1.005 64 V HN 0.933 nan 8.190 nan 0.000 0.428 65 E N 4.077 124.368 120.200 0.152 0.000 2.363 65 E HA 0.746 5.096 4.350 0.000 0.000 0.281 65 E C -1.117 175.684 176.600 0.335 0.000 0.953 65 E CA -1.195 55.310 56.400 0.176 0.000 0.778 65 E CB 2.619 32.384 29.700 0.109 0.000 1.220 65 E HN 0.745 nan 8.360 nan 0.000 0.431 66 R N 0.773 121.434 120.500 0.267 0.000 2.947 66 R HA 0.500 4.840 4.340 0.000 0.000 0.253 66 R C -0.578 175.901 176.300 0.298 0.000 1.208 66 R CA -0.308 55.968 56.100 0.292 0.000 1.012 66 R CB 0.516 30.879 30.300 0.105 0.000 1.267 66 R HN 0.562 nan 8.270 nan 0.000 0.473 67 D N -0.216 120.322 120.400 0.230 0.000 2.432 67 D HA 0.118 4.758 4.640 0.000 0.000 0.270 67 D C 1.324 177.682 176.300 0.097 0.000 1.256 67 D CA 0.668 54.779 54.000 0.184 0.000 1.022 67 D CB -0.937 39.975 40.800 0.187 0.000 0.916 67 D HN 0.610 nan 8.370 nan 0.000 0.253 68 G N -1.150 107.667 108.800 0.028 0.000 2.887 68 G HA2 0.258 4.218 3.960 0.000 0.000 0.211 68 G HA3 0.258 4.218 3.960 0.000 0.000 0.211 68 G C 0.359 175.182 174.900 -0.129 0.000 1.152 68 G CA 0.593 45.672 45.100 -0.035 0.000 0.769 68 G HN 0.604 nan 8.290 nan 0.000 0.541 69 S N -1.136 114.409 115.700 -0.259 0.000 2.671 69 S HA 0.744 5.214 4.470 0.000 0.000 0.299 69 S C -1.200 173.076 174.600 -0.540 0.000 1.116 69 S CA -0.782 57.133 58.200 -0.475 0.000 0.912 69 S CB 2.507 65.274 63.200 -0.722 0.000 1.130 69 S HN 0.023 nan 8.310 nan 0.000 0.501 70 V N 1.560 121.178 119.914 -0.492 0.000 2.448 70 V HA 0.434 4.554 4.120 0.000 0.000 0.295 70 V C -0.926 174.990 176.094 -0.298 0.000 1.025 70 V CA -0.555 61.594 62.300 -0.252 0.000 0.859 70 V CB 1.235 32.974 31.823 -0.139 0.000 0.988 70 V HN 0.837 nan 8.190 nan 0.000 0.431 71 W N 5.187 126.488 121.300 0.002 0.000 2.390 71 W HA 0.592 5.252 4.660 -0.000 0.000 0.312 71 W C -0.753 175.773 176.519 0.013 0.000 1.123 71 W CA -0.613 56.741 57.345 0.015 0.000 1.202 71 W CB 1.730 31.199 29.460 0.015 0.000 1.251 71 W HN 0.285 nan 8.180 nan 0.000 0.511 72 I N 3.161 123.858 120.570 0.212 0.000 2.466 72 I HA 0.126 4.296 4.170 0.000 0.000 0.289 72 I C -0.624 175.578 176.117 0.142 0.000 1.026 72 I CA -0.524 60.859 61.300 0.140 0.000 1.078 72 I CB 1.843 39.897 38.000 0.089 0.000 1.249 72 I HN 0.272 nan 8.210 nan 0.000 0.429 73 D N 5.460 125.929 120.400 0.115 0.000 2.440 73 D HA 0.534 5.174 4.640 0.000 0.000 0.252 73 D C 0.068 176.426 176.300 0.096 0.000 1.180 73 D CA -0.256 53.806 54.000 0.102 0.000 0.894 73 D CB 1.758 42.608 40.800 0.084 0.000 1.111 73 D HN 0.616 nan 8.370 nan 0.000 0.544 74 A N 2.562 125.452 122.820 0.116 0.000 2.545 74 A HA 0.140 4.460 4.320 0.000 0.000 0.277 74 A C 1.711 179.403 177.584 0.180 0.000 1.301 74 A CA 0.278 52.403 52.037 0.147 0.000 0.935 74 A CB -0.181 18.925 19.000 0.176 0.000 1.093 74 A HN 0.456 nan 8.150 nan 0.000 0.519 75 S N 0.154 115.934 115.700 0.133 0.000 2.419 75 S HA -0.083 4.387 4.470 0.000 0.000 0.233 75 S C 0.984 175.678 174.600 0.156 0.000 1.016 75 S CA 1.307 59.585 58.200 0.130 0.000 0.974 75 S CB -0.258 62.994 63.200 0.088 0.000 0.786 75 S HN 0.503 nan 8.310 nan 0.000 0.492 76 N N 1.181 119.958 118.700 0.127 0.000 2.401 76 N HA 0.271 5.011 4.740 0.000 0.000 0.264 76 N C -0.983 174.554 175.510 0.045 0.000 1.238 76 N CA -0.046 53.063 53.050 0.097 0.000 0.889 76 N CB 1.311 39.829 38.487 0.051 0.000 1.196 76 N HN 0.176 nan 8.380 nan 0.000 0.511 77 V N 2.848 122.804 119.914 0.069 0.000 2.509 77 V HA -0.093 4.027 4.120 0.000 0.000 0.297 77 V C 1.037 176.942 176.094 -0.315 0.000 1.014 77 V CA 0.616 62.846 62.300 -0.116 0.000 1.127 77 V CB 0.190 31.945 31.823 -0.112 0.000 0.925 77 V HN 0.506 nan 8.190 nan 0.000 0.480 78 N N 2.364 120.814 118.700 -0.418 0.000 2.143 78 N HA 0.095 4.835 4.740 0.000 0.000 0.222 78 N C -0.093 174.817 175.510 -1.000 0.000 1.264 78 N CA -0.372 52.330 53.050 -0.581 0.000 0.897 78 N CB 0.197 38.520 38.487 -0.273 0.000 1.092 78 N HN 0.562 nan 8.380 nan 0.000 0.516 79 N N 0.283 118.413 118.700 -0.950 0.000 2.399 79 N HA 0.296 5.036 4.740 0.000 0.000 0.280 79 N C -1.482 173.562 175.510 -0.778 0.000 1.008 79 N CA -0.795 51.781 53.050 -0.791 0.000 0.894 79 N CB 0.666 38.933 38.487 -0.366 0.000 1.273 79 N HN 0.036 nan 8.380 nan 0.000 0.486 80 F N 0.621 120.500 119.950 -0.118 0.000 2.772 80 F HA 0.393 4.920 4.527 0.000 0.000 0.302 80 F C 0.807 176.577 175.800 -0.050 0.000 1.136 80 F CA -0.523 57.422 58.000 -0.091 0.000 1.322 80 F CB 0.163 39.116 39.000 -0.079 0.000 0.967 80 F HN 0.294 nan 8.300 nan 0.000 0.513 81 S N 1.276 116.991 115.700 0.026 0.000 2.669 81 S HA 0.728 5.198 4.470 0.000 0.000 0.315 81 S C -0.027 174.569 174.600 -0.006 0.000 1.106 81 S CA -0.623 57.576 58.200 -0.002 0.000 1.107 81 S CB 0.347 63.514 63.200 -0.056 0.000 0.990 81 S HN 0.247 nan 8.310 nan 0.000 0.471 82 A N 6.976 129.810 122.820 0.023 0.000 2.484 82 A HA 0.422 4.742 4.320 0.000 0.000 0.268 82 A C -2.121 175.474 177.584 0.019 0.000 1.114 82 A CA -0.967 51.091 52.037 0.036 0.000 0.780 82 A CB -0.325 18.712 19.000 0.062 0.000 1.061 82 A HN 0.622 nan 8.150 nan 0.000 0.505 83 P HA -0.091 nan 4.420 nan 0.000 0.267 83 P C 0.299 177.629 177.300 0.051 0.000 1.205 83 P CA 0.201 63.319 63.100 0.029 0.000 0.765 83 P CB 0.407 32.114 31.700 0.013 0.000 0.828 84 Y N 4.979 125.261 120.300 -0.029 0.000 2.151 84 Y HA -0.325 4.225 4.550 0.000 0.000 0.284 84 Y C 1.938 177.830 175.900 -0.013 0.000 1.166 84 Y CA 2.606 60.694 58.100 -0.020 0.000 1.163 84 Y CB -0.622 37.828 38.460 -0.018 0.000 0.974 84 Y HN 0.387 nan 8.280 nan 0.000 0.511 85 D N 0.185 120.544 120.400 -0.069 0.000 2.133 85 D HA -0.274 4.366 4.640 0.000 0.000 0.192 85 D C 2.162 178.348 176.300 -0.189 0.000 1.001 85 D CA 2.089 55.999 54.000 -0.149 0.000 0.844 85 D CB -0.874 39.918 40.800 -0.014 0.000 0.944 85 D HN 0.482 nan 8.370 nan 0.000 0.447 86 L N 0.360 121.514 121.223 -0.115 0.000 2.127 86 L HA -0.063 4.277 4.340 0.000 0.000 0.203 86 L C 2.888 179.695 176.870 -0.105 0.000 1.080 86 L CA 0.255 55.046 54.840 -0.083 0.000 0.768 86 L CB -0.210 41.834 42.059 -0.025 0.000 0.924 86 L HN -0.098 nan 8.230 nan 0.000 0.444 87 V N 1.345 121.189 119.914 -0.116 0.000 2.324 87 V HA -0.349 3.771 4.120 0.000 0.000 0.250 87 V C 2.579 178.562 176.094 -0.184 0.000 1.060 87 V CA 2.400 64.632 62.300 -0.114 0.000 1.042 87 V CB -0.796 30.981 31.823 -0.077 0.000 0.650 87 V HN 0.612 nan 8.190 nan 0.000 0.450 88 K N 1.098 121.290 120.400 -0.347 0.000 2.281 88 K HA -0.205 4.115 4.320 0.000 0.000 0.203 88 K C 1.807 178.291 176.600 -0.193 0.000 1.046 88 K CA 1.905 57.986 56.287 -0.345 0.000 0.938 88 K CB -0.761 31.357 32.500 -0.638 0.000 0.737 88 K HN 0.626 nan 8.250 nan 0.000 0.458 89 T N -0.993 113.467 114.554 -0.158 0.000 3.055 89 T HA 0.044 4.394 4.350 0.000 0.000 0.265 89 T C 0.852 175.517 174.700 -0.059 0.000 1.111 89 T CA 0.258 62.302 62.100 -0.093 0.000 1.118 89 T CB -0.452 68.372 68.868 -0.074 0.000 0.909 89 T HN 0.479 nan 8.240 nan 0.000 0.501 90 M N -1.466 118.093 119.600 -0.069 0.000 2.465 90 M HA 0.576 5.056 4.480 0.000 0.000 0.284 90 M C 0.290 176.517 176.300 -0.122 0.000 1.212 90 M CA -1.114 54.149 55.300 -0.061 0.000 0.910 90 M CB 2.051 34.644 32.600 -0.012 0.000 1.725 90 M HN -0.397 nan 8.290 nan 0.000 0.477 91 R N 1.035 121.443 120.500 -0.153 0.000 2.120 91 R HA -0.006 4.334 4.340 0.000 0.000 0.234 91 R C 1.925 177.952 176.300 -0.455 0.000 1.123 91 R CA 1.780 57.723 56.100 -0.262 0.000 0.975 91 R CB -0.358 29.801 30.300 -0.235 0.000 0.866 91 R HN 0.911 nan 8.270 nan 0.000 0.446 92 A N 0.755 123.335 122.820 -0.399 0.000 2.178 92 A HA -0.101 4.219 4.320 0.000 0.000 0.218 92 A C 2.010 179.244 177.584 -0.583 0.000 1.157 92 A CA 1.186 52.885 52.037 -0.563 0.000 0.689 92 A CB -0.285 18.742 19.000 0.044 0.000 0.787 92 A HN 0.205 nan 8.150 nan 0.000 0.465 93 S N -0.131 115.350 115.700 -0.365 0.000 2.383 93 S HA -0.199 4.271 4.470 0.000 0.000 0.229 93 S C 1.747 176.075 174.600 -0.454 0.000 1.030 93 S CA 1.429 59.449 58.200 -0.301 0.000 1.002 93 S CB -0.432 62.686 63.200 -0.137 0.000 0.829 93 S HN 0.609 nan 8.310 nan 0.000 0.467 94 I N 1.173 121.438 120.570 -0.508 0.000 2.399 94 I HA -0.142 4.028 4.170 0.000 0.000 0.254 94 I C 1.471 177.392 176.117 -0.327 0.000 1.146 94 I CA 0.986 62.011 61.300 -0.459 0.000 1.412 94 I CB -0.412 37.181 38.000 -0.679 0.000 1.076 94 I HN 0.368 nan 8.210 nan 0.000 0.432 95 W N 0.486 121.469 121.300 -0.529 0.000 2.538 95 W HA 0.035 4.695 4.660 0.000 0.000 0.254 95 W C 2.339 178.634 176.519 -0.373 0.000 1.249 95 W CA 0.806 57.867 57.345 -0.472 0.000 1.253 95 W CB -1.255 27.854 29.460 -0.585 0.000 1.130 95 W HN 0.317 nan 8.180 nan 0.000 0.618 96 A N -0.498 122.204 122.820 -0.197 0.000 2.169 96 A HA 0.012 4.332 4.320 0.000 0.000 0.212 96 A C 1.896 179.574 177.584 0.157 0.000 1.153 96 A CA 0.571 52.716 52.037 0.181 0.000 0.756 96 A CB -0.371 18.810 19.000 0.302 0.000 0.813 96 A HN 0.132 nan 8.150 nan 0.000 0.471 97 L N 0.080 121.353 121.223 0.084 0.000 2.007 97 L HA 0.073 4.413 4.340 0.000 0.000 0.205 97 L C 2.398 179.338 176.870 0.117 0.000 1.073 97 L CA 2.442 57.337 54.840 0.091 0.000 0.744 97 L CB -1.280 40.808 42.059 0.047 0.000 0.898 97 L HN 0.275 nan 8.230 nan 0.000 0.435 98 G N -0.434 108.445 108.800 0.131 0.000 2.446 98 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 98 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 98 G C -0.635 174.332 174.900 0.112 0.000 1.168 98 G CA 0.980 46.149 45.100 0.116 0.000 0.771 98 G HN 0.386 nan 8.290 nan 0.000 0.551 99 P HA -0.066 nan 4.420 nan 0.000 0.215 99 P C 2.095 179.508 177.300 0.187 0.000 1.157 99 P CA 0.743 63.934 63.100 0.152 0.000 0.868 99 P CB -0.132 31.694 31.700 0.209 0.000 0.788 100 L N -1.079 120.289 121.223 0.241 0.000 2.042 100 L HA -0.155 4.185 4.340 0.000 0.000 0.210 100 L C 2.506 179.475 176.870 0.165 0.000 1.076 100 L CA 1.379 56.401 54.840 0.304 0.000 0.749 100 L CB -1.146 41.059 42.059 0.244 0.000 0.893 100 L HN -0.076 nan 8.230 nan 0.000 0.432 101 V N -0.309 119.658 119.914 0.088 0.000 2.453 101 V HA -0.190 3.930 4.120 0.000 0.000 0.247 101 V C 2.552 178.648 176.094 0.003 0.000 1.048 101 V CA 1.731 64.049 62.300 0.030 0.000 1.049 101 V CB 0.033 31.877 31.823 0.035 0.000 0.672 101 V HN 0.407 nan 8.190 nan 0.000 0.457 102 A N 0.043 122.869 122.820 0.010 0.000 1.898 102 A HA -0.189 4.131 4.320 0.000 0.000 0.216 102 A C 2.434 179.956 177.584 -0.103 0.000 1.181 102 A CA 1.959 53.977 52.037 -0.031 0.000 0.620 102 A CB -0.563 18.427 19.000 -0.017 0.000 0.819 102 A HN 0.574 nan 8.150 nan 0.000 0.442 103 R N -2.213 118.190 120.500 -0.161 0.000 2.112 103 R HA 0.109 4.449 4.340 0.000 0.000 0.216 103 R C 0.524 176.441 176.300 -0.638 0.000 1.080 103 R CA 0.963 56.797 56.100 -0.444 0.000 0.996 103 R CB -0.017 29.884 30.300 -0.666 0.000 0.902 103 R HN 0.483 nan 8.270 nan 0.000 0.449 104 F N -1.007 118.849 119.950 -0.156 0.000 2.688 104 F HA 0.398 4.925 4.527 0.000 0.000 0.310 104 F C 1.267 176.858 175.800 -0.349 0.000 1.098 104 F CA 0.275 58.090 58.000 -0.308 0.000 1.228 104 F CB 1.471 40.081 39.000 -0.649 0.000 1.042 104 F HN 0.230 nan 8.300 nan 0.000 0.557 105 G N 1.109 109.861 108.800 -0.080 0.000 2.184 105 G HA2 -0.277 3.683 3.960 0.000 0.000 0.264 105 G HA3 -0.277 3.683 3.960 0.000 0.000 0.264 105 G C 0.090 174.940 174.900 -0.083 0.000 0.975 105 G CA 0.511 45.567 45.100 -0.073 0.000 0.642 105 G HN 0.530 nan 8.290 nan 0.000 0.536 106 Q N -1.581 118.130 119.800 -0.148 0.000 2.438 106 Q HA 0.617 4.957 4.340 0.000 0.000 0.272 106 Q C -0.597 175.372 176.000 -0.052 0.000 0.994 106 Q CA -0.565 55.182 55.803 -0.094 0.000 0.887 106 Q CB 1.685 30.372 28.738 -0.084 0.000 1.432 106 Q HN 1.456 nan 8.270 nan 0.000 0.392 107 G N 1.137 109.966 108.800 0.049 0.000 2.759 107 G HA2 0.483 4.443 3.960 0.000 0.000 0.297 107 G HA3 0.483 4.443 3.960 0.000 0.000 0.297 107 G C -2.136 172.819 174.900 0.092 0.000 1.434 107 G CA -0.501 44.661 45.100 0.104 0.000 0.980 107 G HN 0.556 nan 8.290 nan 0.000 0.531 108 Q N 0.860 120.708 119.800 0.081 0.000 2.274 108 Q HA 0.656 4.996 4.340 0.000 0.000 0.268 108 Q C -1.687 174.321 176.000 0.012 0.000 1.015 108 Q CA -0.609 55.215 55.803 0.035 0.000 0.775 108 Q CB 2.635 31.337 28.738 -0.061 0.000 1.256 108 Q HN 0.457 nan 8.270 nan 0.000 0.442 109 V N 2.249 122.186 119.914 0.039 0.000 2.760 109 V HA 0.425 4.545 4.120 0.000 0.000 0.309 109 V C -0.343 175.795 176.094 0.072 0.000 1.077 109 V CA -0.774 61.543 62.300 0.028 0.000 0.910 109 V CB 2.316 34.139 31.823 0.001 0.000 1.008 109 V HN 0.855 nan 8.190 nan 0.000 0.424 110 S N 4.256 120.007 115.700 0.085 0.000 2.579 110 S HA 0.599 5.069 4.470 0.000 0.000 0.275 110 S C -0.313 174.343 174.600 0.093 0.000 1.345 110 S CA -0.255 58.038 58.200 0.154 0.000 1.031 110 S CB 0.360 63.717 63.200 0.262 0.000 0.892 110 S HN 0.460 nan 8.310 nan 0.000 0.529 111 L N 1.918 123.196 121.223 0.090 0.000 2.323 111 L HA 0.516 4.856 4.340 0.000 0.000 0.265 111 L C -2.346 174.546 176.870 0.036 0.000 1.012 111 L CA -2.440 52.414 54.840 0.023 0.000 0.820 111 L CB 0.804 42.858 42.059 -0.008 0.000 1.334 111 L HN 0.369 nan 8.230 nan 0.000 0.427 112 P HA 0.089 nan 4.420 nan 0.000 0.266 112 P C -0.005 177.306 177.300 0.019 0.000 1.195 112 P CA -0.043 63.066 63.100 0.015 0.000 0.768 112 P CB 0.542 32.234 31.700 -0.014 0.000 0.838 113 G N 1.892 110.710 108.800 0.031 0.000 4.464 113 G HA2 0.429 4.389 3.960 0.000 0.000 0.297 113 G HA3 0.429 4.389 3.960 0.000 0.000 0.297 113 G C 0.700 175.608 174.900 0.013 0.000 1.342 113 G CA -0.173 44.938 45.100 0.018 0.000 1.335 113 G HN 0.645 nan 8.290 nan 0.000 0.609 114 G N -0.350 108.456 108.800 0.009 0.000 2.803 114 G HA2 0.219 4.179 3.960 0.000 0.000 0.177 114 G HA3 0.219 4.179 3.960 0.000 0.000 0.177 114 G C 0.764 175.667 174.900 0.006 0.000 1.629 114 G CA 0.815 45.920 45.100 0.008 0.000 1.077 114 G HN 0.381 nan 8.290 nan 0.000 0.556 115 C N -1.168 118.136 119.300 0.006 0.000 3.913 115 C HA 0.646 5.106 4.460 0.000 0.000 0.535 115 C C 1.361 176.355 174.990 0.007 0.000 1.470 115 C CA 0.108 59.130 59.018 0.005 0.000 2.358 115 C CB -0.404 27.339 27.740 0.006 0.000 3.527 115 C HN 0.816 nan 8.230 nan 0.000 0.611 116 A N 1.914 124.738 122.820 0.008 0.000 2.450 116 A HA 0.552 4.872 4.320 0.000 0.000 0.255 116 A C -0.348 177.244 177.584 0.014 0.000 1.096 116 A CA 0.631 52.675 52.037 0.010 0.000 0.778 116 A CB 0.005 19.011 19.000 0.010 0.000 1.031 116 A HN 0.368 nan 8.150 nan 0.000 0.494 117 I N 1.514 122.094 120.570 0.018 0.000 2.412 117 I HA 0.514 4.684 4.170 0.000 0.000 0.296 117 I C 1.103 177.241 176.117 0.034 0.000 0.987 117 I CA 0.347 61.663 61.300 0.027 0.000 1.180 117 I CB 0.441 38.456 38.000 0.025 0.000 1.340 117 I HN 1.144 nan 8.210 nan 0.000 0.455 118 G N 4.640 113.472 108.800 0.054 0.000 2.417 118 G HA2 0.114 4.074 3.960 0.000 0.000 0.291 118 G HA3 0.114 4.074 3.960 0.000 0.000 0.291 118 G C 0.286 175.214 174.900 0.047 0.000 1.094 118 G CA 0.530 45.667 45.100 0.062 0.000 1.146 118 G HN 1.221 nan 8.290 nan 0.000 0.519 119 A N -0.193 122.657 122.820 0.049 0.000 1.547 119 A HA 0.572 4.892 4.320 0.000 0.000 0.206 119 A C 1.034 178.638 177.584 0.033 0.000 1.773 119 A CA 1.001 53.058 52.037 0.033 0.000 1.530 119 A CB -0.130 18.882 19.000 0.019 0.000 1.435 119 A HN 1.399 nan 8.150 nan 0.000 0.420 120 R N 1.733 122.247 120.500 0.023 0.000 3.853 120 R HA -0.019 4.321 4.340 0.000 0.000 0.254 120 R C -2.095 174.215 176.300 0.017 0.000 0.565 120 R CA -0.295 55.809 56.100 0.007 0.000 1.000 120 R CB -0.354 29.942 30.300 -0.007 0.000 0.943 120 R HN 0.311 nan 8.270 nan 0.000 0.331 121 P HA -0.237 nan 4.420 nan 0.000 0.217 121 P C 1.049 178.406 177.300 0.096 0.000 1.148 121 P CA 0.865 63.996 63.100 0.053 0.000 0.834 121 P CB 0.126 31.846 31.700 0.033 0.000 0.783 122 V N 0.242 120.146 119.914 -0.015 0.000 2.568 122 V HA -0.257 3.863 4.120 0.000 0.000 0.253 122 V C 1.727 177.809 176.094 -0.019 0.000 1.072 122 V CA 2.057 64.294 62.300 -0.106 0.000 1.084 122 V CB -1.120 30.588 31.823 -0.192 0.000 0.676 122 V HN 0.166 nan 8.190 nan 0.000 0.469 123 D N -0.088 120.293 120.400 -0.032 0.000 2.182 123 D HA -0.162 4.478 4.640 0.000 0.000 0.201 123 D C 2.088 178.328 176.300 -0.101 0.000 0.986 123 D CA 1.163 55.067 54.000 -0.159 0.000 0.847 123 D CB -0.208 40.601 40.800 0.016 0.000 0.942 123 D HN 0.391 nan 8.370 nan 0.000 0.467 124 L N 0.442 121.740 121.223 0.126 0.000 2.083 124 L HA -0.178 4.162 4.340 0.000 0.000 0.209 124 L C 2.497 179.408 176.870 0.069 0.000 1.083 124 L CA 1.112 56.040 54.840 0.146 0.000 0.752 124 L CB -0.614 41.488 42.059 0.072 0.000 0.899 124 L HN 0.207 nan 8.230 nan 0.000 0.433 125 H N -0.021 119.031 119.070 -0.030 0.000 2.353 125 H HA -0.130 4.426 4.556 0.000 0.000 0.300 125 H C 2.430 177.718 175.328 -0.066 0.000 1.090 125 H CA 1.716 57.749 56.048 -0.024 0.000 1.327 125 H CB 0.008 29.746 29.762 -0.040 0.000 1.383 125 H HN 0.366 nan 8.280 nan 0.000 0.508 126 I N 0.234 120.773 120.570 -0.052 0.000 2.179 126 I HA -0.256 3.914 4.170 0.000 0.000 0.242 126 I C 2.116 178.137 176.117 -0.160 0.000 1.088 126 I CA 1.387 62.565 61.300 -0.202 0.000 1.357 126 I CB -0.443 37.282 38.000 -0.458 0.000 1.051 126 I HN 0.082 nan 8.210 nan 0.000 0.409 127 F N 0.791 120.774 119.950 0.056 0.000 2.259 127 F HA -0.044 4.483 4.527 0.000 0.000 0.298 127 F C 2.591 178.409 175.800 0.029 0.000 1.088 127 F CA 0.690 58.711 58.000 0.035 0.000 1.358 127 F CB -0.698 38.319 39.000 0.027 0.000 1.040 127 F HN 0.049 nan 8.300 nan 0.000 0.505 128 G N 0.615 109.518 108.800 0.173 0.000 2.421 128 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 128 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 128 G C 1.664 176.613 174.900 0.082 0.000 1.171 128 G CA 0.603 45.762 45.100 0.098 0.000 0.775 128 G HN 0.247 nan 8.290 nan 0.000 0.543 129 L N 0.215 121.483 121.223 0.075 0.000 2.046 129 L HA -0.062 4.278 4.340 0.000 0.000 0.208 129 L C 2.790 179.701 176.870 0.069 0.000 1.077 129 L CA 1.553 56.431 54.840 0.063 0.000 0.747 129 L CB -0.413 41.681 42.059 0.057 0.000 0.896 129 L HN 0.391 nan 8.230 nan 0.000 0.432 130 E N 0.391 120.648 120.200 0.095 0.000 2.085 130 E HA -0.255 4.095 4.350 0.000 0.000 0.194 130 E C 2.108 178.762 176.600 0.089 0.000 0.994 130 E CA 1.105 57.568 56.400 0.104 0.000 0.801 130 E CB 0.180 29.981 29.700 0.169 0.000 0.743 130 E HN 0.215 nan 8.360 nan 0.000 0.453 131 K N 0.450 120.909 120.400 0.097 0.000 2.103 131 K HA -0.123 4.197 4.320 0.000 0.000 0.207 131 K C 2.075 178.706 176.600 0.052 0.000 1.048 131 K CA 0.868 57.198 56.287 0.072 0.000 0.930 131 K CB -0.331 32.212 32.500 0.073 0.000 0.716 131 K HN 0.328 nan 8.250 nan 0.000 0.444 132 L N -0.178 121.074 121.223 0.048 0.000 2.610 132 L HA 0.014 4.354 4.340 0.000 0.000 0.232 132 L C 0.988 177.875 176.870 0.029 0.000 1.149 132 L CA 0.534 55.393 54.840 0.032 0.000 0.872 132 L CB -0.283 41.792 42.059 0.026 0.000 0.992 132 L HN 0.385 nan 8.230 nan 0.000 0.447 133 G N -0.235 108.587 108.800 0.036 0.000 2.131 133 G HA2 -0.199 3.761 3.960 0.000 0.000 0.223 133 G HA3 -0.199 3.761 3.960 0.000 0.000 0.223 133 G C 0.241 175.160 174.900 0.031 0.000 0.990 133 G CA -0.112 45.007 45.100 0.031 0.000 0.671 133 G HN 0.459 nan 8.290 nan 0.000 0.521 134 A N 0.051 122.893 122.820 0.038 0.000 2.327 134 A HA 0.676 4.996 4.320 0.000 0.000 0.283 134 A C 0.425 178.034 177.584 0.041 0.000 1.127 134 A CA -0.195 51.864 52.037 0.035 0.000 0.810 134 A CB 0.454 19.476 19.000 0.037 0.000 1.066 134 A HN 0.459 nan 8.150 nan 0.000 0.492 135 E N 1.394 121.615 120.200 0.036 0.000 2.338 135 E HA 0.323 4.673 4.350 0.000 0.000 0.272 135 E C -0.684 175.940 176.600 0.041 0.000 1.029 135 E CA -0.144 56.279 56.400 0.038 0.000 0.872 135 E CB 0.853 30.572 29.700 0.032 0.000 1.015 135 E HN 0.414 nan 8.360 nan 0.000 0.417 136 I N 2.756 123.351 120.570 0.042 0.000 2.474 136 I HA 0.289 4.459 4.170 0.000 0.000 0.294 136 I C -0.111 176.022 176.117 0.026 0.000 1.005 136 I CA -0.627 60.694 61.300 0.034 0.000 1.113 136 I CB 1.531 39.551 38.000 0.032 0.000 1.289 136 I HN 0.441 nan 8.210 nan 0.000 0.436 137 K N 6.615 127.026 120.400 0.018 0.000 2.463 137 K HA 0.464 4.784 4.320 0.000 0.000 0.255 137 K C -1.763 174.798 176.600 -0.064 0.000 0.942 137 K CA -0.610 55.672 56.287 -0.009 0.000 0.814 137 K CB 1.612 34.120 32.500 0.013 0.000 1.122 137 K HN 0.381 nan 8.250 nan 0.000 0.425 138 L N 5.661 126.828 121.223 -0.094 0.000 2.283 138 L HA 0.378 4.718 4.340 0.000 0.000 0.281 138 L C -0.188 176.551 176.870 -0.218 0.000 1.033 138 L CA -0.033 54.717 54.840 -0.149 0.000 0.848 138 L CB 0.670 42.678 42.059 -0.086 0.000 1.226 138 L HN 0.838 nan 8.230 nan 0.000 0.429 139 E N 2.019 121.969 120.200 -0.417 0.000 2.413 139 E HA 0.339 4.689 4.350 0.000 0.000 0.277 139 E C -0.797 175.463 176.600 -0.567 0.000 0.958 139 E CA -0.776 55.373 56.400 -0.419 0.000 0.779 139 E CB 1.382 30.867 29.700 -0.358 0.000 1.278 139 E HN 0.418 nan 8.360 nan 0.000 0.456 140 E N 0.423 120.452 120.200 -0.285 0.000 2.257 140 E HA -0.310 4.040 4.350 0.000 0.000 0.224 140 E C 0.633 177.180 176.600 -0.089 0.000 1.286 140 E CA 0.701 57.014 56.400 -0.144 0.000 0.716 140 E CB -1.968 27.717 29.700 -0.026 0.000 1.159 140 E HN 1.076 nan 8.360 nan 0.000 0.367 141 G N -0.658 108.071 108.800 -0.119 0.000 2.153 141 G HA2 -0.354 3.606 3.960 0.000 0.000 0.252 141 G HA3 -0.354 3.606 3.960 0.000 0.000 0.252 141 G C -0.092 174.838 174.900 0.050 0.000 0.994 141 G CA 1.087 46.166 45.100 -0.035 0.000 0.698 141 G HN 0.670 nan 8.290 nan 0.000 0.521 142 Y N -2.784 117.504 120.300 -0.021 0.000 2.705 142 Y HA 0.824 5.374 4.550 0.000 0.000 0.332 142 Y C -0.500 175.387 175.900 -0.021 0.000 1.157 142 Y CA -1.983 56.109 58.100 -0.015 0.000 1.091 142 Y CB 1.110 39.569 38.460 -0.002 0.000 1.301 142 Y HN 0.380 nan 8.280 nan 0.000 0.488 143 V N 1.657 121.759 119.914 0.314 0.000 2.531 143 V HA 0.476 4.596 4.120 0.000 0.000 0.301 143 V C -1.083 175.185 176.094 0.290 0.000 1.034 143 V CA -0.823 61.577 62.300 0.168 0.000 0.865 143 V CB 1.498 33.349 31.823 0.048 0.000 0.995 143 V HN 0.730 nan 8.190 nan 0.000 0.424 144 K N 4.201 124.743 120.400 0.237 0.000 2.425 144 K HA 0.813 5.133 4.320 0.000 0.000 0.259 144 K C -0.656 176.009 176.600 0.109 0.000 0.978 144 K CA -0.110 56.304 56.287 0.212 0.000 0.883 144 K CB 1.531 34.209 32.500 0.298 0.000 1.110 144 K HN 0.822 nan 8.250 nan 0.000 0.436 145 A N 3.184 126.054 122.820 0.083 0.000 2.318 145 A HA 0.741 5.061 4.320 0.000 0.000 0.324 145 A C -0.824 176.787 177.584 0.046 0.000 1.170 145 A CA -0.377 51.694 52.037 0.056 0.000 0.810 145 A CB 0.792 19.821 19.000 0.048 0.000 1.198 145 A HN 0.919 nan 8.150 nan 0.000 0.484 146 S N 0.366 116.088 115.700 0.036 0.000 2.656 146 S HA 0.817 5.287 4.470 0.000 0.000 0.273 146 S C -1.168 173.441 174.600 0.016 0.000 1.168 146 S CA -0.490 57.722 58.200 0.020 0.000 0.817 146 S CB 1.378 64.591 63.200 0.022 0.000 1.146 146 S HN 2.036 nan 8.310 nan 0.000 0.475 147 V N 0.567 120.483 119.914 0.004 0.000 2.969 147 V HA 0.535 4.655 4.120 0.000 0.000 0.304 147 V C -1.915 174.178 176.094 -0.002 0.000 1.192 147 V CA -0.819 61.483 62.300 0.004 0.000 0.962 147 V CB 2.035 33.858 31.823 0.000 0.000 1.045 147 V HN 1.048 nan 8.190 nan 0.000 0.428 148 N N 4.934 123.635 118.700 0.003 0.000 2.420 148 N HA 0.645 5.385 4.740 0.000 0.000 0.249 148 N C 0.268 175.777 175.510 -0.003 0.000 1.033 148 N CA 0.467 53.519 53.050 0.002 0.000 0.944 148 N CB 1.313 39.804 38.487 0.007 0.000 1.113 148 N HN 1.379 nan 8.380 nan 0.000 0.502 149 G N 1.544 110.338 108.800 -0.009 0.000 2.615 149 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 149 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 149 G C -0.520 174.367 174.900 -0.021 0.000 1.339 149 G CA -0.816 44.276 45.100 -0.013 0.000 0.884 149 G HN 0.496 nan 8.290 nan 0.000 0.559 150 R N -0.773 119.713 120.500 -0.022 0.000 2.637 150 R HA 0.538 4.878 4.340 0.000 0.000 0.269 150 R C 0.827 177.116 176.300 -0.017 0.000 1.089 150 R CA -0.480 55.603 56.100 -0.028 0.000 1.177 150 R CB 0.245 30.527 30.300 -0.030 0.000 1.091 150 R HN 0.458 nan 8.270 nan 0.000 0.540 151 L N 1.287 122.499 121.223 -0.017 0.000 2.475 151 L HA 0.234 4.574 4.340 0.000 0.000 0.253 151 L C 0.018 176.885 176.870 -0.005 0.000 1.198 151 L CA -0.277 54.559 54.840 -0.007 0.000 0.814 151 L CB 0.302 42.358 42.059 -0.005 0.000 1.134 151 L HN 0.226 nan 8.230 nan 0.000 0.478 152 K N 0.455 120.856 120.400 0.002 0.000 2.292 152 K HA 0.415 4.735 4.320 0.000 0.000 0.257 152 K C -0.172 176.431 176.600 0.006 0.000 0.940 152 K CA -0.434 55.855 56.287 0.003 0.000 0.811 152 K CB 1.772 34.276 32.500 0.007 0.000 1.120 152 K HN 0.607 nan 8.250 nan 0.000 0.428 153 G N 1.076 109.877 108.800 0.002 0.000 2.414 153 G HA2 0.416 4.376 3.960 0.000 0.000 0.236 153 G HA3 0.416 4.376 3.960 0.000 0.000 0.236 153 G C -0.622 174.287 174.900 0.015 0.000 1.293 153 G CA 0.110 45.211 45.100 0.002 0.000 0.869 153 G HN 0.607 nan 8.290 nan 0.000 0.556 154 A N 1.413 124.244 122.820 0.018 0.000 2.566 154 A HA 0.671 4.991 4.320 0.000 0.000 0.292 154 A C -0.980 176.638 177.584 0.057 0.000 1.112 154 A CA -0.778 51.286 52.037 0.045 0.000 0.707 154 A CB 1.315 20.343 19.000 0.046 0.000 1.302 154 A HN 0.968 nan 8.150 nan 0.000 0.409 155 H N 0.592 119.663 119.070 0.002 0.000 2.690 155 H HA 0.641 5.197 4.556 0.000 0.000 0.289 155 H C -0.968 174.361 175.328 0.002 0.000 1.089 155 H CA -0.197 55.851 56.048 0.000 0.000 1.299 155 H CB 0.186 29.947 29.762 -0.001 0.000 1.405 155 H HN 0.471 nan 8.280 nan 0.000 0.463 156 I N 6.056 126.674 120.570 0.080 0.000 2.378 156 I HA 0.187 4.357 4.170 0.000 0.000 0.291 156 I C -0.619 175.555 176.117 0.095 0.000 0.992 156 I CA -1.026 60.329 61.300 0.092 0.000 1.154 156 I CB 1.897 39.918 38.000 0.036 0.000 1.315 156 I HN 0.338 nan 8.210 nan 0.000 0.448 157 V N 6.807 126.787 119.914 0.110 0.000 2.333 157 V HA 0.319 4.439 4.120 0.000 0.000 0.274 157 V C 0.396 176.517 176.094 0.045 0.000 1.028 157 V CA -0.578 61.771 62.300 0.082 0.000 0.851 157 V CB 1.186 33.057 31.823 0.080 0.000 1.000 157 V HN 0.608 nan 8.190 nan 0.000 0.456 158 M N 3.120 122.739 119.600 0.032 0.000 2.188 158 M HA 0.166 4.646 4.480 0.000 0.000 0.354 158 M C 1.014 177.326 176.300 0.021 0.000 1.342 158 M CA 0.130 55.444 55.300 0.024 0.000 1.117 158 M CB 0.440 33.049 32.600 0.015 0.000 1.670 158 M HN 0.687 nan 8.290 nan 0.000 0.466 159 D N 3.053 123.464 120.400 0.019 0.000 2.137 159 D HA 0.007 4.647 4.640 0.000 0.000 0.202 159 D C -0.100 176.205 176.300 0.009 0.000 0.970 159 D CA 1.404 55.411 54.000 0.012 0.000 0.837 159 D CB 0.640 41.445 40.800 0.008 0.000 0.981 159 D HN 0.468 nan 8.370 nan 0.000 0.475 160 K N 0.077 120.485 120.400 0.013 0.000 2.164 160 K HA 0.415 4.735 4.320 0.000 0.000 0.258 160 K C -0.997 175.610 176.600 0.011 0.000 0.951 160 K CA -0.906 55.385 56.287 0.007 0.000 0.844 160 K CB 2.977 35.481 32.500 0.007 0.000 1.099 160 K HN -0.206 nan 8.250 nan 0.000 0.435 161 V N 2.262 122.182 119.914 0.011 0.000 2.439 161 V HA 0.044 4.164 4.120 0.000 0.000 0.271 161 V C 0.110 176.221 176.094 0.027 0.000 1.040 161 V CA 0.131 62.443 62.300 0.020 0.000 1.002 161 V CB 0.801 32.640 31.823 0.027 0.000 1.000 161 V HN 0.741 nan 8.190 nan 0.000 0.477 162 S N 4.133 119.850 115.700 0.027 0.000 2.561 162 S HA 0.416 4.887 4.470 0.000 0.000 0.303 162 S C 0.596 175.231 174.600 0.057 0.000 1.110 162 S CA -0.643 57.581 58.200 0.040 0.000 1.034 162 S CB 1.904 65.115 63.200 0.019 0.000 1.010 162 S HN 0.347 nan 8.310 nan 0.000 0.482 163 V N 5.390 125.362 119.914 0.097 0.000 2.307 163 V HA -0.004 4.116 4.120 0.000 0.000 0.245 163 V C 2.595 178.819 176.094 0.218 0.000 1.045 163 V CA 2.533 64.911 62.300 0.130 0.000 1.024 163 V CB -1.135 30.779 31.823 0.152 0.000 0.651 163 V HN 0.960 nan 8.190 nan 0.000 0.449 164 G N -0.484 108.477 108.800 0.270 0.000 2.421 164 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 164 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 164 G C 1.748 176.770 174.900 0.204 0.000 1.171 164 G CA 1.029 46.399 45.100 0.450 0.000 0.775 164 G HN 0.602 nan 8.290 nan 0.000 0.543 165 A N 0.112 122.827 122.820 -0.174 0.000 1.930 165 A HA 0.048 4.368 4.320 0.000 0.000 0.217 165 A C 2.511 180.015 177.584 -0.133 0.000 1.175 165 A CA 2.293 54.082 52.037 -0.414 0.000 0.627 165 A CB -0.826 17.996 19.000 -0.297 0.000 0.815 165 A HN 0.284 nan 8.150 nan 0.000 0.443 166 T N -0.273 114.260 114.554 -0.036 0.000 2.720 166 T HA -0.136 4.214 4.350 0.000 0.000 0.268 166 T C 1.871 176.555 174.700 -0.027 0.000 1.037 166 T CA 1.670 63.757 62.100 -0.021 0.000 1.144 166 T CB -0.401 68.465 68.868 -0.003 0.000 0.864 166 T HN 0.152 nan 8.240 nan 0.000 0.444 167 V N 1.292 121.202 119.914 -0.007 0.000 2.307 167 V HA -0.184 3.936 4.120 0.000 0.000 0.245 167 V C 2.792 178.850 176.094 -0.060 0.000 1.045 167 V CA 2.011 64.241 62.300 -0.117 0.000 1.024 167 V CB -1.060 30.541 31.823 -0.370 0.000 0.651 167 V HN 0.520 nan 8.190 nan 0.000 0.449 168 T N 0.393 115.001 114.554 0.091 0.000 2.652 168 T HA -0.162 4.188 4.350 0.000 0.000 0.267 168 T C 1.806 176.535 174.700 0.047 0.000 1.039 168 T CA 2.046 64.231 62.100 0.141 0.000 1.153 168 T CB -0.307 68.710 68.868 0.249 0.000 0.863 168 T HN 0.336 nan 8.240 nan 0.000 0.428 169 I N 0.845 121.417 120.570 0.003 0.000 2.179 169 I HA -0.200 3.970 4.170 0.000 0.000 0.242 169 I C 2.608 178.717 176.117 -0.013 0.000 1.088 169 I CA 1.389 62.687 61.300 -0.003 0.000 1.357 169 I CB -0.407 37.584 38.000 -0.016 0.000 1.051 169 I HN 0.265 nan 8.210 nan 0.000 0.409 170 M N 0.358 119.941 119.600 -0.028 0.000 2.117 170 M HA -0.215 4.265 4.480 0.000 0.000 0.262 170 M C 2.447 178.725 176.300 -0.037 0.000 1.065 170 M CA 1.949 57.226 55.300 -0.039 0.000 1.114 170 M CB -0.024 32.545 32.600 -0.051 0.000 1.361 170 M HN 0.125 nan 8.290 nan 0.000 0.408 171 S N 0.925 116.603 115.700 -0.036 0.000 2.348 171 S HA -0.079 4.391 4.470 0.000 0.000 0.221 171 S C 2.076 176.672 174.600 -0.007 0.000 1.033 171 S CA 1.353 59.539 58.200 -0.023 0.000 1.010 171 S CB -0.641 62.549 63.200 -0.017 0.000 0.891 171 S HN 0.697 nan 8.310 nan 0.000 0.442 172 A N 1.758 124.584 122.820 0.009 0.000 1.908 172 A HA 0.047 4.367 4.320 0.000 0.000 0.218 172 A C 2.377 179.956 177.584 -0.009 0.000 1.181 172 A CA 1.811 53.855 52.037 0.011 0.000 0.627 172 A CB -1.203 17.814 19.000 0.028 0.000 0.818 172 A HN 0.530 nan 8.150 nan 0.000 0.445 173 A N -0.094 122.718 122.820 -0.014 0.000 1.986 173 A HA -0.161 4.159 4.320 0.000 0.000 0.220 173 A C 2.373 179.937 177.584 -0.032 0.000 1.171 173 A CA 2.592 54.616 52.037 -0.022 0.000 0.640 173 A CB -1.614 17.370 19.000 -0.026 0.000 0.811 173 A HN 0.946 nan 8.150 nan 0.000 0.451 174 T N -2.223 112.307 114.554 -0.039 0.000 2.918 174 T HA -0.051 4.299 4.350 0.000 0.000 0.271 174 T C 1.213 175.881 174.700 -0.054 0.000 1.104 174 T CA 1.586 63.656 62.100 -0.051 0.000 1.114 174 T CB -0.360 68.469 68.868 -0.064 0.000 0.855 174 T HN 0.353 nan 8.240 nan 0.000 0.518 175 L N 0.070 121.263 121.223 -0.050 0.000 2.906 175 L HA 0.558 4.898 4.340 0.000 0.000 0.255 175 L C 1.234 178.076 176.870 -0.047 0.000 1.166 175 L CA -0.509 54.297 54.840 -0.057 0.000 0.977 175 L CB -0.077 41.937 42.059 -0.075 0.000 1.313 175 L HN 0.295 nan 8.230 nan 0.000 0.549 176 A N 0.200 122.999 122.820 -0.036 0.000 2.271 176 A HA 0.365 4.685 4.320 0.000 0.000 0.288 176 A C 0.003 177.572 177.584 -0.025 0.000 1.094 176 A CA -0.302 51.719 52.037 -0.027 0.000 0.828 176 A CB 0.410 19.399 19.000 -0.018 0.000 1.091 176 A HN 0.229 nan 8.150 nan 0.000 0.493 177 E N -0.006 120.183 120.200 -0.019 0.000 2.180 177 E HA 0.453 4.803 4.350 0.000 0.000 0.283 177 E C 0.611 177.204 176.600 -0.011 0.000 1.061 177 E CA 0.941 57.331 56.400 -0.016 0.000 0.861 177 E CB 0.617 30.310 29.700 -0.012 0.000 1.056 177 E HN 1.247 nan 8.360 nan 0.000 0.407 178 G N 2.670 111.462 108.800 -0.013 0.000 2.548 178 G HA2 -0.192 3.768 3.960 0.000 0.000 0.208 178 G HA3 -0.192 3.768 3.960 0.000 0.000 0.208 178 G C -0.434 174.458 174.900 -0.013 0.000 1.308 178 G CA -0.767 44.328 45.100 -0.009 0.000 0.924 178 G HN 0.457 nan 8.290 nan 0.000 0.540 179 T N 0.993 115.542 114.554 -0.009 0.000 2.829 179 T HA 0.695 5.045 4.350 0.000 0.000 0.282 179 T C -0.028 174.660 174.700 -0.021 0.000 0.990 179 T CA 0.278 62.368 62.100 -0.017 0.000 1.028 179 T CB 1.561 70.421 68.868 -0.014 0.000 0.951 179 T HN 0.745 nan 8.240 nan 0.000 0.460 180 T N 3.438 117.969 114.554 -0.037 0.000 2.807 180 T HA 0.616 4.966 4.350 0.000 0.000 0.279 180 T C -0.365 174.278 174.700 -0.096 0.000 0.993 180 T CA -0.472 61.598 62.100 -0.051 0.000 0.970 180 T CB 0.588 69.433 68.868 -0.038 0.000 0.950 180 T HN 0.399 nan 8.240 nan 0.000 0.441 181 I N 3.657 124.125 120.570 -0.170 0.000 2.436 181 I HA 0.486 4.656 4.170 0.000 0.000 0.289 181 I C -0.638 175.337 176.117 -0.237 0.000 1.010 181 I CA -0.847 60.297 61.300 -0.261 0.000 1.098 181 I CB 1.824 39.517 38.000 -0.511 0.000 1.266 181 I HN 0.467 nan 8.210 nan 0.000 0.434 182 I N 6.137 126.619 120.570 -0.147 0.000 2.354 182 I HA 0.269 4.439 4.170 0.000 0.000 0.286 182 I C -0.049 176.026 176.117 -0.071 0.000 1.007 182 I CA -0.495 60.752 61.300 -0.088 0.000 1.167 182 I CB 0.999 38.967 38.000 -0.053 0.000 1.320 182 I HN 0.502 nan 8.210 nan 0.000 0.458 183 E N 5.421 125.594 120.200 -0.046 0.000 2.266 183 E HA 0.276 4.626 4.350 0.000 0.000 0.277 183 E C -0.347 176.257 176.600 0.007 0.000 1.018 183 E CA -0.483 55.913 56.400 -0.007 0.000 0.840 183 E CB 0.861 30.587 29.700 0.043 0.000 1.082 183 E HN 0.558 nan 8.360 nan 0.000 0.395 184 N N 0.106 118.812 118.700 0.010 0.000 2.756 184 N HA -0.200 4.540 4.740 0.000 0.000 0.248 184 N C -0.853 174.664 175.510 0.011 0.000 1.062 184 N CA 0.251 53.309 53.050 0.014 0.000 0.696 184 N CB -0.867 37.631 38.487 0.017 0.000 0.946 184 N HN 0.553 nan 8.380 nan 0.000 0.548 185 A N 0.137 122.960 122.820 0.006 0.000 2.371 185 A HA 0.723 5.043 4.320 0.000 0.000 0.257 185 A C 0.944 178.538 177.584 0.017 0.000 1.089 185 A CA 0.146 52.185 52.037 0.004 0.000 0.794 185 A CB 0.540 19.536 19.000 -0.007 0.000 1.029 185 A HN 0.566 nan 8.150 nan 0.000 0.488 186 A N 1.227 124.059 122.820 0.021 0.000 2.498 186 A HA 0.353 4.673 4.320 0.000 0.000 0.239 186 A C 0.991 178.595 177.584 0.033 0.000 1.068 186 A CA -0.001 52.057 52.037 0.034 0.000 0.766 186 A CB -0.025 18.998 19.000 0.038 0.000 1.003 186 A HN 0.854 nan 8.150 nan 0.000 0.497 187 R N 0.722 121.256 120.500 0.057 0.000 2.362 187 R HA 0.081 4.421 4.340 0.000 0.000 0.227 187 R C -0.399 175.939 176.300 0.063 0.000 0.905 187 R CA -0.147 56.001 56.100 0.081 0.000 1.067 187 R CB 0.147 30.525 30.300 0.130 0.000 1.078 187 R HN 0.802 nan 8.270 nan 0.000 0.516 188 E N 1.617 121.805 120.200 -0.020 0.000 2.534 188 E HA -0.090 4.260 4.350 0.000 0.000 0.264 188 E C -1.725 174.745 176.600 -0.216 0.000 0.981 188 E CA -0.679 55.602 56.400 -0.198 0.000 0.948 188 E CB 0.429 30.055 29.700 -0.123 0.000 0.934 188 E HN -0.093 nan 8.360 nan 0.000 0.459 189 P HA -0.186 nan 4.420 nan 0.000 0.218 189 P C 0.286 177.524 177.300 -0.105 0.000 1.146 189 P CA 1.225 64.208 63.100 -0.195 0.000 0.813 189 P CB 0.275 31.843 31.700 -0.221 0.000 0.778 190 E N -1.291 118.842 120.200 -0.111 0.000 2.208 190 E HA -0.100 4.250 4.350 0.000 0.000 0.193 190 E C 1.888 178.441 176.600 -0.077 0.000 0.988 190 E CA 0.691 57.045 56.400 -0.077 0.000 0.828 190 E CB -0.672 28.988 29.700 -0.066 0.000 0.763 190 E HN 0.196 nan 8.360 nan 0.000 0.478 191 I N 0.076 120.603 120.570 -0.071 0.000 2.233 191 I HA -0.177 3.993 4.170 0.000 0.000 0.243 191 I C 2.124 178.211 176.117 -0.051 0.000 1.093 191 I CA 0.823 62.084 61.300 -0.065 0.000 1.380 191 I CB -0.961 37.015 38.000 -0.039 0.000 1.067 191 I HN 0.013 nan 8.210 nan 0.000 0.413 192 V N 1.208 121.102 119.914 -0.033 0.000 2.324 192 V HA -0.321 3.799 4.120 0.000 0.000 0.250 192 V C 2.281 178.382 176.094 0.013 0.000 1.060 192 V CA 2.293 64.589 62.300 -0.006 0.000 1.042 192 V CB -0.715 31.111 31.823 0.005 0.000 0.650 192 V HN 0.345 nan 8.190 nan 0.000 0.450 193 D N -0.619 119.790 120.400 0.014 0.000 2.144 193 D HA -0.129 4.511 4.640 0.000 0.000 0.200 193 D C 2.240 178.528 176.300 -0.020 0.000 0.978 193 D CA 1.590 55.634 54.000 0.072 0.000 0.833 193 D CB -0.062 40.782 40.800 0.075 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.470 194 T N -0.502 114.007 114.554 -0.075 0.000 2.777 194 T HA -0.051 4.300 4.350 0.000 0.000 0.266 194 T C 1.916 176.579 174.700 -0.062 0.000 1.040 194 T CA 1.226 63.262 62.100 -0.106 0.000 1.141 194 T CB -0.379 68.394 68.868 -0.158 0.000 0.868 194 T HN 0.207 nan 8.240 nan 0.000 0.444 195 A N 2.614 125.400 122.820 -0.056 0.000 1.883 195 A HA -0.180 4.140 4.320 0.000 0.000 0.217 195 A C 2.228 179.780 177.584 -0.054 0.000 1.186 195 A CA 1.612 53.620 52.037 -0.049 0.000 0.624 195 A CB -0.666 18.315 19.000 -0.032 0.000 0.822 195 A HN 0.387 nan 8.150 nan 0.000 0.444 196 N N -1.068 117.620 118.700 -0.019 0.000 2.223 196 N HA -0.126 4.614 4.740 0.000 0.000 0.185 196 N C 1.383 176.810 175.510 -0.139 0.000 1.016 196 N CA 1.442 54.510 53.050 0.030 0.000 0.863 196 N CB -0.589 38.028 38.487 0.217 0.000 0.983 196 N HN 0.576 nan 8.380 nan 0.000 0.429 197 F N 1.815 121.356 119.950 -0.682 0.000 2.113 197 F HA -0.020 4.507 4.527 -0.000 0.000 0.297 197 F C 2.003 177.559 175.800 -0.407 0.000 1.103 197 F CA 1.004 58.390 58.000 -1.024 0.000 1.248 197 F CB -0.494 37.916 39.000 -0.984 0.000 0.999 197 F HN -0.098 nan 8.300 nan 0.000 0.475 198 L N -0.404 120.576 121.223 -0.406 0.000 2.079 198 L HA -0.235 4.105 4.340 0.000 0.000 0.210 198 L C 2.395 179.081 176.870 -0.306 0.000 1.081 198 L CA 1.117 55.722 54.840 -0.392 0.000 0.752 198 L CB -0.986 40.972 42.059 -0.168 0.000 0.896 198 L HN 0.063 nan 8.230 nan 0.000 0.433 199 V N 0.099 119.892 119.914 -0.201 0.000 2.358 199 V HA -0.266 3.854 4.120 0.000 0.000 0.246 199 V C 2.767 178.784 176.094 -0.128 0.000 1.047 199 V CA 1.716 63.942 62.300 -0.124 0.000 1.035 199 V CB -0.864 30.925 31.823 -0.057 0.000 0.658 199 V HN 0.487 nan 8.190 nan 0.000 0.452 200 A N -0.335 122.403 122.820 -0.136 0.000 2.024 200 A HA -0.139 4.181 4.320 0.000 0.000 0.220 200 A C 2.029 179.519 177.584 -0.157 0.000 1.164 200 A CA 1.594 53.588 52.037 -0.072 0.000 0.643 200 A CB -0.507 18.536 19.000 0.070 0.000 0.806 200 A HN 0.559 nan 8.150 nan 0.000 0.451 201 L N -1.763 119.277 121.223 -0.304 0.000 2.592 201 L HA 0.259 4.599 4.340 0.000 0.000 0.227 201 L C 1.551 178.317 176.870 -0.174 0.000 1.127 201 L CA 0.516 55.189 54.840 -0.278 0.000 0.884 201 L CB -0.037 41.758 42.059 -0.439 0.000 1.065 201 L HN 0.570 nan 8.230 nan 0.000 0.457 202 G N -0.371 108.345 108.800 -0.139 0.000 2.192 202 G HA2 -0.180 3.780 3.960 0.000 0.000 0.193 202 G HA3 -0.180 3.780 3.960 0.000 0.000 0.193 202 G C 0.341 175.186 174.900 -0.093 0.000 0.999 202 G CA -0.151 44.891 45.100 -0.097 0.000 0.659 202 G HN 0.416 nan 8.290 nan 0.000 0.503 203 A N 0.032 122.783 122.820 -0.115 0.000 2.313 203 A HA 0.714 5.034 4.320 0.000 0.000 0.261 203 A C 0.395 177.935 177.584 -0.072 0.000 1.090 203 A CA 0.134 52.114 52.037 -0.095 0.000 0.807 203 A CB 0.467 19.400 19.000 -0.112 0.000 1.055 203 A HN 0.315 nan 8.150 nan 0.000 0.492 204 K N 1.067 121.432 120.400 -0.059 0.000 2.404 204 K HA 0.567 4.887 4.320 0.000 0.000 0.257 204 K C -1.491 175.083 176.600 -0.044 0.000 1.026 204 K CA 0.321 56.581 56.287 -0.046 0.000 0.951 204 K CB 0.824 33.301 32.500 -0.038 0.000 1.203 204 K HN 0.576 nan 8.250 nan 0.000 0.446 205 I N 1.546 122.091 120.570 -0.042 0.000 2.619 205 I HA 0.273 4.444 4.170 0.000 0.000 0.292 205 I C -0.318 175.781 176.117 -0.029 0.000 1.100 205 I CA -0.661 60.616 61.300 -0.039 0.000 1.043 205 I CB 2.273 40.246 38.000 -0.045 0.000 1.239 205 I HN 0.538 nan 8.210 nan 0.000 0.420 206 S N 2.465 118.148 115.700 -0.027 0.000 2.651 206 S HA 0.834 5.304 4.470 0.000 0.000 0.279 206 S C 0.366 174.955 174.600 -0.019 0.000 1.148 206 S CA -0.047 58.141 58.200 -0.019 0.000 0.837 206 S CB 1.943 65.133 63.200 -0.017 0.000 1.138 206 S HN 1.391 nan 8.310 nan 0.000 0.478 207 G N 0.727 109.520 108.800 -0.012 0.000 2.179 207 G HA2 -0.249 3.711 3.960 0.000 0.000 0.260 207 G HA3 -0.249 3.711 3.960 0.000 0.000 0.260 207 G C 0.135 175.031 174.900 -0.006 0.000 0.977 207 G CA 0.331 45.425 45.100 -0.010 0.000 0.641 207 G HN 1.255 nan 8.290 nan 0.000 0.533 208 Q N 0.128 119.924 119.800 -0.006 0.000 2.361 208 Q HA 0.403 4.743 4.340 0.000 0.000 0.276 208 Q C 1.237 177.243 176.000 0.011 0.000 1.022 208 Q CA 0.915 56.716 55.803 -0.003 0.000 0.898 208 Q CB 0.952 29.686 28.738 -0.007 0.000 1.246 208 Q HN 1.770 nan 8.270 nan 0.000 0.410 209 G N 1.919 110.731 108.800 0.020 0.000 2.234 209 G HA2 -0.309 3.651 3.960 0.000 0.000 0.235 209 G HA3 -0.309 3.651 3.960 0.000 0.000 0.235 209 G C 0.337 175.265 174.900 0.046 0.000 0.997 209 G CA 0.452 45.580 45.100 0.045 0.000 0.623 209 G HN 1.140 nan 8.290 nan 0.000 0.514 210 T N -2.707 111.862 114.554 0.025 0.000 2.876 210 T HA 0.595 4.945 4.350 0.000 0.000 0.277 210 T C 0.762 175.472 174.700 0.016 0.000 0.997 210 T CA 0.481 62.592 62.100 0.019 0.000 0.966 210 T CB 1.367 70.240 68.868 0.009 0.000 1.312 210 T HN -0.119 nan 8.240 nan 0.000 0.598 211 D N 0.362 120.769 120.400 0.012 0.000 2.347 211 D HA 0.055 4.695 4.640 0.000 0.000 0.215 211 D C 0.821 177.121 176.300 0.000 0.000 0.976 211 D CA 0.658 54.664 54.000 0.010 0.000 0.884 211 D CB 0.145 40.952 40.800 0.012 0.000 0.915 211 D HN 0.613 nan 8.370 nan 0.000 0.526 212 R N 0.083 120.578 120.500 -0.008 0.000 2.533 212 R HA 0.552 4.892 4.340 0.000 0.000 0.288 212 R C -1.284 174.997 176.300 -0.032 0.000 1.039 212 R CA -0.573 55.512 56.100 -0.026 0.000 0.909 212 R CB 1.004 31.284 30.300 -0.034 0.000 1.195 212 R HN -0.226 nan 8.270 nan 0.000 0.438 213 I N 2.511 123.055 120.570 -0.043 0.000 2.437 213 I HA 0.358 4.528 4.170 0.000 0.000 0.298 213 I C -0.287 175.795 176.117 -0.060 0.000 0.984 213 I CA -0.862 60.413 61.300 -0.042 0.000 1.214 213 I CB 2.487 40.464 38.000 -0.038 0.000 1.365 213 I HN 0.680 nan 8.210 nan 0.000 0.469 214 T N 6.659 121.182 114.554 -0.051 0.000 2.812 214 T HA 0.624 4.974 4.350 0.000 0.000 0.282 214 T C -0.480 174.191 174.700 -0.048 0.000 0.990 214 T CA -0.314 61.752 62.100 -0.057 0.000 0.960 214 T CB 1.075 69.914 68.868 -0.048 0.000 0.948 214 T HN 0.147 nan 8.240 nan 0.000 0.438 215 I N 2.615 123.155 120.570 -0.050 0.000 2.474 215 I HA 0.362 4.532 4.170 0.000 0.000 0.294 215 I C 0.189 176.283 176.117 -0.039 0.000 1.005 215 I CA -0.572 60.702 61.300 -0.044 0.000 1.113 215 I CB 1.842 39.816 38.000 -0.044 0.000 1.289 215 I HN 0.381 nan 8.210 nan 0.000 0.436 216 E N 4.493 124.671 120.200 -0.036 0.000 2.101 216 E HA 0.352 4.702 4.350 0.000 0.000 0.260 216 E C -0.029 176.551 176.600 -0.034 0.000 0.897 216 E CA -0.421 55.960 56.400 -0.031 0.000 0.744 216 E CB 1.642 31.325 29.700 -0.028 0.000 1.140 216 E HN 0.806 nan 8.360 nan 0.000 0.419 217 G N 2.056 110.837 108.800 -0.032 0.000 2.321 217 G HA2 0.219 4.179 3.960 0.000 0.000 0.237 217 G HA3 0.219 4.179 3.960 0.000 0.000 0.237 217 G C 0.355 175.233 174.900 -0.037 0.000 1.282 217 G CA -0.020 45.059 45.100 -0.036 0.000 0.886 217 G HN 0.287 nan 8.290 nan 0.000 0.528 218 V N -0.256 119.631 119.914 -0.044 0.000 3.046 218 V HA 0.572 4.692 4.120 0.000 0.000 0.316 218 V C 0.996 177.061 176.094 -0.049 0.000 1.104 218 V CA -0.835 61.438 62.300 -0.045 0.000 1.006 218 V CB 2.010 33.803 31.823 -0.049 0.000 1.058 218 V HN 0.602 nan 8.190 nan 0.000 0.440 219 E N 1.714 121.887 120.200 -0.045 0.000 2.033 219 E HA -0.140 4.210 4.350 0.000 0.000 0.199 219 E C 0.684 177.248 176.600 -0.061 0.000 1.011 219 E CA 2.313 58.685 56.400 -0.047 0.000 0.815 219 E CB -0.082 29.595 29.700 -0.039 0.000 0.755 219 E HN 0.876 nan 8.360 nan 0.000 0.451 220 R N -1.669 118.794 120.500 -0.062 0.000 2.733 220 R HA 0.592 4.932 4.340 0.000 0.000 0.272 220 R C -1.020 175.236 176.300 -0.074 0.000 1.029 220 R CA -0.709 55.346 56.100 -0.074 0.000 0.888 220 R CB 0.804 31.063 30.300 -0.069 0.000 1.251 220 R HN -0.136 nan 8.270 nan 0.000 0.464 221 L N 0.958 122.132 121.223 -0.082 0.000 2.334 221 L HA 0.609 4.949 4.340 0.000 0.000 0.276 221 L C 0.727 177.552 176.870 -0.076 0.000 1.014 221 L CA -0.710 54.074 54.840 -0.092 0.000 0.815 221 L CB 1.994 43.981 42.059 -0.119 0.000 1.268 221 L HN 0.987 nan 8.230 nan 0.000 0.428 222 G N 1.236 109.990 108.800 -0.077 0.000 3.022 222 G HA2 0.594 4.554 3.960 0.000 0.000 0.157 222 G HA3 0.594 4.554 3.960 0.000 0.000 0.157 222 G C 0.017 174.890 174.900 -0.045 0.000 1.691 222 G CA 0.387 45.457 45.100 -0.050 0.000 1.079 222 G HN 0.777 nan 8.290 nan 0.000 0.549 223 G N -3.480 105.304 108.800 -0.028 0.000 2.870 223 G HA2 0.720 4.680 3.960 0.000 0.000 0.299 223 G HA3 0.720 4.680 3.960 0.000 0.000 0.299 223 G C -0.307 174.599 174.900 0.010 0.000 1.324 223 G CA 0.196 45.297 45.100 0.001 0.000 0.808 223 G HN 1.891 nan 8.290 nan 0.000 0.535 224 G N -2.461 106.373 108.800 0.057 0.000 2.332 224 G HA2 0.494 4.454 3.960 0.000 0.000 0.265 224 G HA3 0.494 4.454 3.960 0.000 0.000 0.265 224 G C -1.730 173.239 174.900 0.114 0.000 1.329 224 G CA 0.212 45.355 45.100 0.071 0.000 0.949 224 G HN 1.473 nan 8.290 nan 0.000 0.476 225 V N 0.223 120.207 119.914 0.116 0.000 2.680 225 V HA 0.805 4.925 4.120 0.000 0.000 0.309 225 V C -0.930 175.283 176.094 0.198 0.000 1.052 225 V CA -0.584 61.790 62.300 0.123 0.000 0.908 225 V CB 1.599 33.462 31.823 0.067 0.000 1.001 225 V HN 1.045 nan 8.190 nan 0.000 0.431 226 Y N 3.107 123.448 120.300 0.069 0.000 2.519 226 Y HA 0.599 5.149 4.550 0.000 0.000 0.336 226 Y C -0.433 175.470 175.900 0.005 0.000 1.089 226 Y CA -0.799 57.357 58.100 0.093 0.000 1.025 226 Y CB 1.773 40.414 38.460 0.303 0.000 1.318 226 Y HN 0.628 nan 8.280 nan 0.000 0.452 227 R N 4.733 124.955 120.500 -0.464 0.000 2.338 227 R HA 0.631 4.971 4.340 0.000 0.000 0.317 227 R C -1.466 174.711 176.300 -0.205 0.000 0.968 227 R CA -0.644 55.296 56.100 -0.267 0.000 0.849 227 R CB 1.156 31.301 30.300 -0.258 0.000 1.128 227 R HN 0.610 nan 8.270 nan 0.000 0.448 228 V N 6.446 126.344 119.914 -0.027 0.000 2.655 228 V HA 0.016 4.136 4.120 0.000 0.000 0.300 228 V C 0.844 176.929 176.094 -0.015 0.000 1.044 228 V CA -0.164 62.156 62.300 0.032 0.000 1.095 228 V CB 0.733 32.542 31.823 -0.022 0.000 0.952 228 V HN 0.684 nan 8.190 nan 0.000 0.485 229 L N 6.072 127.304 121.223 0.014 0.000 2.467 229 L HA 0.436 4.776 4.340 0.000 0.000 0.270 229 L C -2.325 174.532 176.870 -0.022 0.000 1.205 229 L CA -1.339 53.493 54.840 -0.013 0.000 0.828 229 L CB 0.062 42.121 42.059 0.001 0.000 1.101 229 L HN 0.366 nan 8.230 nan 0.000 0.479 230 P HA -0.026 nan 4.420 nan 0.000 0.268 230 P C -1.114 176.174 177.300 -0.020 0.000 1.208 230 P CA 0.028 63.119 63.100 -0.015 0.000 0.777 230 P CB 0.336 32.033 31.700 -0.004 0.000 0.875 231 D N 2.372 122.761 120.400 -0.018 0.000 2.359 231 D HA -0.015 4.625 4.640 0.000 0.000 0.250 231 D C 1.398 177.683 176.300 -0.025 0.000 1.264 231 D CA -0.065 53.911 54.000 -0.040 0.000 0.911 231 D CB 0.381 41.146 40.800 -0.059 0.000 1.056 231 D HN 0.314 nan 8.370 nan 0.000 0.499 232 R N 3.746 124.222 120.500 -0.039 0.000 2.120 232 R HA -0.134 4.206 4.340 0.000 0.000 0.234 232 R C 1.264 177.546 176.300 -0.031 0.000 1.123 232 R CA 0.644 56.726 56.100 -0.030 0.000 0.975 232 R CB -0.177 30.092 30.300 -0.051 0.000 0.866 232 R HN 0.334 nan 8.270 nan 0.000 0.446 233 I N 1.676 122.207 120.570 -0.064 0.000 2.500 233 I HA -0.092 4.078 4.170 0.000 0.000 0.252 233 I C 2.475 178.577 176.117 -0.025 0.000 1.142 233 I CA 0.995 62.257 61.300 -0.064 0.000 1.451 233 I CB -1.154 36.780 38.000 -0.110 0.000 1.093 233 I HN 0.342 nan 8.210 nan 0.000 0.430 234 E N 0.928 121.100 120.200 -0.046 0.000 2.072 234 E HA -0.185 4.165 4.350 0.000 0.000 0.191 234 E C 2.012 178.736 176.600 0.207 0.000 0.985 234 E CA 1.878 58.324 56.400 0.076 0.000 0.801 234 E CB 0.208 29.969 29.700 0.102 0.000 0.750 234 E HN 0.383 nan 8.360 nan 0.000 0.452 235 T N -0.102 114.551 114.554 0.166 0.000 2.652 235 T HA -0.163 4.187 4.350 0.000 0.000 0.267 235 T C 1.747 176.549 174.700 0.170 0.000 1.039 235 T CA 1.371 63.587 62.100 0.194 0.000 1.153 235 T CB -0.736 68.197 68.868 0.109 0.000 0.863 235 T HN 0.400 nan 8.240 nan 0.000 0.428 236 G N 1.065 109.927 108.800 0.104 0.000 2.440 236 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 236 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 236 G C 1.730 176.683 174.900 0.088 0.000 1.154 236 G CA 1.536 46.703 45.100 0.113 0.000 0.767 236 G HN 0.465 nan 8.290 nan 0.000 0.552 237 T N 1.093 115.661 114.554 0.023 0.000 2.635 237 T HA -0.146 4.204 4.350 0.000 0.000 0.267 237 T C 2.075 176.657 174.700 -0.196 0.000 1.040 237 T CA 1.430 63.459 62.100 -0.119 0.000 1.156 237 T CB -0.410 68.337 68.868 -0.202 0.000 0.863 237 T HN 0.297 nan 8.240 nan 0.000 0.430 238 F N 0.786 120.777 119.950 0.067 0.000 2.234 238 F HA 0.092 4.619 4.527 0.000 0.000 0.299 238 F C 2.176 177.988 175.800 0.020 0.000 1.087 238 F CA 0.537 58.557 58.000 0.033 0.000 1.340 238 F CB -0.489 38.537 39.000 0.042 0.000 1.031 238 F HN 0.063 nan 8.300 nan 0.000 0.500 239 L N -0.683 120.651 121.223 0.185 0.000 2.083 239 L HA -0.196 4.144 4.340 0.000 0.000 0.209 239 L C 2.248 179.144 176.870 0.043 0.000 1.083 239 L CA 0.672 55.583 54.840 0.119 0.000 0.752 239 L CB -0.679 41.456 42.059 0.127 0.000 0.899 239 L HN -0.001 nan 8.230 nan 0.000 0.433 240 V N -0.190 119.720 119.914 -0.007 0.000 2.667 240 V HA -0.179 3.941 4.120 0.000 0.000 0.252 240 V C 2.677 178.724 176.094 -0.078 0.000 1.065 240 V CA 1.420 63.649 62.300 -0.118 0.000 1.083 240 V CB -0.586 31.122 31.823 -0.192 0.000 0.692 240 V HN 0.447 nan 8.190 nan 0.000 0.468 241 A N 0.139 122.943 122.820 -0.027 0.000 1.933 241 A HA -0.092 4.228 4.320 0.000 0.000 0.218 241 A C 2.364 179.955 177.584 0.011 0.000 1.175 241 A CA 2.071 54.105 52.037 -0.004 0.000 0.628 241 A CB -0.521 18.522 19.000 0.072 0.000 0.814 241 A HN 0.551 nan 8.150 nan 0.000 0.444 242 A N -0.556 122.282 122.820 0.029 0.000 1.935 242 A HA 0.385 4.705 4.320 0.000 0.000 0.214 242 A C 2.409 179.984 177.584 -0.014 0.000 1.178 242 A CA 1.405 53.449 52.037 0.013 0.000 0.640 242 A CB -0.815 18.200 19.000 0.026 0.000 0.825 242 A HN 0.978 nan 8.150 nan 0.000 0.447 243 A N 0.543 123.347 122.820 -0.027 0.000 2.019 243 A HA -0.020 4.300 4.320 0.000 0.000 0.219 243 A C 1.936 179.485 177.584 -0.058 0.000 1.164 243 A CA 1.419 53.429 52.037 -0.046 0.000 0.644 243 A CB -0.723 18.233 19.000 -0.074 0.000 0.805 243 A HN 0.967 nan 8.150 nan 0.000 0.449 244 I N -3.287 117.245 120.570 -0.064 0.000 3.883 244 I HA 0.166 4.336 4.170 0.000 0.000 0.326 244 I C 1.039 177.134 176.117 -0.037 0.000 1.283 244 I CA 0.924 62.188 61.300 -0.060 0.000 1.161 244 I CB 0.395 38.350 38.000 -0.075 0.000 1.012 244 I HN 0.195 nan 8.210 nan 0.000 0.421 245 S N -0.077 115.606 115.700 -0.028 0.000 2.741 245 S HA 0.477 4.947 4.470 0.000 0.000 0.247 245 S C 1.333 175.926 174.600 -0.013 0.000 1.050 245 S CA 0.086 58.274 58.200 -0.019 0.000 1.025 245 S CB 0.184 63.373 63.200 -0.017 0.000 0.897 245 S HN 0.717 nan 8.310 nan 0.000 0.508 246 G N 0.461 109.254 108.800 -0.012 0.000 2.187 246 G HA2 -0.174 3.786 3.960 0.000 0.000 0.261 246 G HA3 -0.174 3.786 3.960 0.000 0.000 0.261 246 G C 0.562 175.454 174.900 -0.014 0.000 1.000 246 G CA 0.121 45.217 45.100 -0.006 0.000 0.718 246 G HN 1.129 nan 8.290 nan 0.000 0.519 247 G N -1.003 107.785 108.800 -0.019 0.000 2.537 247 G HA2 0.619 4.579 3.960 0.000 0.000 0.297 247 G HA3 0.619 4.579 3.960 0.000 0.000 0.297 247 G C -0.221 174.654 174.900 -0.043 0.000 1.310 247 G CA 0.023 45.108 45.100 -0.023 0.000 1.027 247 G HN 0.625 nan 8.290 nan 0.000 0.505 248 K N -0.655 119.722 120.400 -0.039 0.000 2.507 248 K HA 0.584 4.904 4.320 0.000 0.000 0.251 248 K C -1.812 174.773 176.600 -0.025 0.000 0.943 248 K CA -0.660 55.596 56.287 -0.050 0.000 0.794 248 K CB 1.991 34.450 32.500 -0.069 0.000 1.188 248 K HN 0.456 nan 8.250 nan 0.000 0.428 249 I N 3.271 123.837 120.570 -0.007 0.000 2.994 249 I HA 0.481 4.651 4.170 0.000 0.000 0.306 249 I C -1.667 174.464 176.117 0.024 0.000 1.195 249 I CA -1.019 60.284 61.300 0.004 0.000 1.001 249 I CB 2.414 40.431 38.000 0.028 0.000 1.244 249 I HN 0.399 nan 8.210 nan 0.000 0.437 250 V N 4.950 124.871 119.914 0.012 0.000 2.531 250 V HA 0.363 4.483 4.120 0.000 0.000 0.301 250 V C -0.705 175.420 176.094 0.052 0.000 1.034 250 V CA -0.619 61.712 62.300 0.053 0.000 0.865 250 V CB 1.471 33.282 31.823 -0.020 0.000 0.995 250 V HN 0.768 nan 8.190 nan 0.000 0.424 251 C N 5.980 125.351 119.300 0.118 0.000 2.285 251 C HA 0.618 5.078 4.460 0.000 0.000 0.335 251 C C 0.565 175.632 174.990 0.129 0.000 1.267 251 C CA -0.967 58.104 59.018 0.089 0.000 1.762 251 C CB -0.051 27.756 27.740 0.111 0.000 2.365 251 C HN 0.752 nan 8.230 nan 0.000 0.527 252 R N 2.540 123.082 120.500 0.070 0.000 2.596 252 R HA 0.295 4.635 4.340 0.000 0.000 0.267 252 R C 0.280 176.620 176.300 0.066 0.000 1.026 252 R CA -0.446 55.708 56.100 0.090 0.000 1.087 252 R CB 0.286 30.604 30.300 0.030 0.000 1.132 252 R HN 0.763 nan 8.270 nan 0.000 0.531 253 N N -1.194 117.550 118.700 0.073 0.000 2.740 253 N HA -0.196 4.544 4.740 0.000 0.000 0.248 253 N C -1.067 174.464 175.510 0.035 0.000 1.062 253 N CA 1.174 54.248 53.050 0.040 0.000 0.704 253 N CB -0.955 37.541 38.487 0.016 0.000 0.968 253 N HN 0.724 nan 8.380 nan 0.000 0.547 254 A N -0.251 122.599 122.820 0.050 0.000 2.288 254 A HA 0.733 5.053 4.320 0.000 0.000 0.328 254 A C 0.096 177.678 177.584 -0.002 0.000 1.123 254 A CA -0.461 51.595 52.037 0.032 0.000 0.861 254 A CB 1.331 20.363 19.000 0.053 0.000 1.272 254 A HN 0.196 nan 8.150 nan 0.000 0.490 255 Q N 0.408 120.201 119.800 -0.012 0.000 2.771 255 Q HA 0.313 4.653 4.340 0.000 0.000 0.247 255 Q C -2.232 173.748 176.000 -0.034 0.000 0.986 255 Q CA -1.830 53.955 55.803 -0.030 0.000 0.713 255 Q CB 1.266 29.990 28.738 -0.024 0.000 1.241 255 Q HN 0.447 nan 8.270 nan 0.000 0.488 256 P HA -0.246 nan 4.420 nan 0.000 0.217 256 P C 0.590 177.868 177.300 -0.037 0.000 1.158 256 P CA 1.791 64.853 63.100 -0.063 0.000 0.887 256 P CB 0.160 31.786 31.700 -0.124 0.000 0.792 257 D N -1.354 119.025 120.400 -0.034 0.000 2.403 257 D HA -0.115 4.525 4.640 0.000 0.000 0.227 257 D C 1.118 177.432 176.300 0.023 0.000 0.995 257 D CA 1.396 55.389 54.000 -0.011 0.000 0.928 257 D CB -1.413 39.380 40.800 -0.012 0.000 0.887 257 D HN 0.253 nan 8.370 nan 0.000 0.529 258 T N -2.865 111.703 114.554 0.023 0.000 3.086 258 T HA 0.200 4.550 4.350 0.000 0.000 0.250 258 T C 1.142 175.882 174.700 0.066 0.000 1.074 258 T CA -0.286 61.850 62.100 0.060 0.000 0.988 258 T CB -0.242 68.627 68.868 0.002 0.000 0.988 258 T HN 0.204 nan 8.240 nan 0.000 0.530 259 L N 0.944 122.182 121.223 0.025 0.000 3.288 259 L HA 0.371 4.711 4.340 0.000 0.000 0.293 259 L C 0.749 177.617 176.870 -0.004 0.000 1.294 259 L CA -0.348 54.493 54.840 0.002 0.000 1.006 259 L CB 0.522 42.581 42.059 -0.000 0.000 1.407 259 L HN -0.009 nan 8.230 nan 0.000 0.592 260 D N 1.541 121.938 120.400 -0.004 0.000 2.116 260 D HA -0.237 4.403 4.640 0.000 0.000 0.193 260 D C 2.124 178.425 176.300 0.001 0.000 0.998 260 D CA 1.804 55.799 54.000 -0.009 0.000 0.836 260 D CB 0.238 41.024 40.800 -0.023 0.000 0.951 260 D HN 0.429 nan 8.370 nan 0.000 0.449 261 A N 0.709 123.521 122.820 -0.013 0.000 1.877 261 A HA -0.130 4.190 4.320 0.000 0.000 0.216 261 A C 2.615 180.234 177.584 0.059 0.000 1.186 261 A CA 1.346 53.398 52.037 0.025 0.000 0.620 261 A CB -0.799 18.211 19.000 0.017 0.000 0.822 261 A HN 0.155 nan 8.150 nan 0.000 0.443 262 V N 0.281 120.169 119.914 -0.044 0.000 2.343 262 V HA -0.241 3.879 4.120 0.000 0.000 0.247 262 V C 2.572 178.749 176.094 0.139 0.000 1.051 262 V CA 1.873 64.166 62.300 -0.012 0.000 1.036 262 V CB -0.706 31.061 31.823 -0.094 0.000 0.654 262 V HN 0.556 nan 8.190 nan 0.000 0.451 263 L N -0.023 121.254 121.223 0.090 0.000 2.017 263 L HA -0.148 4.192 4.340 0.000 0.000 0.208 263 L C 2.770 179.706 176.870 0.111 0.000 1.073 263 L CA 1.644 56.545 54.840 0.102 0.000 0.745 263 L CB -0.927 41.164 42.059 0.053 0.000 0.894 263 L HN 0.370 nan 8.230 nan 0.000 0.432 264 A N 0.153 123.025 122.820 0.087 0.000 1.902 264 A HA -0.255 4.065 4.320 0.000 0.000 0.217 264 A C 2.300 179.950 177.584 0.111 0.000 1.181 264 A CA 1.971 54.056 52.037 0.080 0.000 0.623 264 A CB -0.390 18.644 19.000 0.057 0.000 0.818 264 A HN 0.199 nan 8.150 nan 0.000 0.443 265 K N -0.087 120.402 120.400 0.149 0.000 2.148 265 K HA 0.067 4.387 4.320 0.000 0.000 0.204 265 K C 1.658 178.438 176.600 0.299 0.000 1.050 265 K CA 1.091 57.488 56.287 0.182 0.000 0.942 265 K CB -0.497 32.078 32.500 0.125 0.000 0.724 265 K HN 0.497 nan 8.250 nan 0.000 0.446 266 L N -0.167 121.250 121.223 0.324 0.000 2.109 266 L HA -0.067 4.273 4.340 0.000 0.000 0.207 266 L C 2.355 179.319 176.870 0.158 0.000 1.086 266 L CA 1.019 56.023 54.840 0.272 0.000 0.760 266 L CB -0.241 41.958 42.059 0.235 0.000 0.910 266 L HN 0.113 nan 8.230 nan 0.000 0.437 267 R N 0.150 120.728 120.500 0.130 0.000 2.081 267 R HA -0.163 4.177 4.340 0.000 0.000 0.235 267 R C 2.084 178.436 176.300 0.087 0.000 1.131 267 R CA 1.335 57.492 56.100 0.094 0.000 0.960 267 R CB -0.261 30.086 30.300 0.077 0.000 0.856 267 R HN 0.423 nan 8.270 nan 0.000 0.436 268 E N 0.414 120.670 120.200 0.094 0.000 2.204 268 E HA -0.141 4.209 4.350 0.000 0.000 0.195 268 E C 1.601 178.250 176.600 0.080 0.000 0.990 268 E CA 1.030 57.476 56.400 0.077 0.000 0.821 268 E CB 0.007 29.750 29.700 0.072 0.000 0.750 268 E HN 0.343 nan 8.360 nan 0.000 0.477 269 A N -0.020 122.863 122.820 0.104 0.000 2.238 269 A HA 0.238 4.558 4.320 0.000 0.000 0.208 269 A C 1.697 179.318 177.584 0.061 0.000 1.177 269 A CA 0.840 52.928 52.037 0.084 0.000 0.804 269 A CB -0.205 18.851 19.000 0.094 0.000 0.823 269 A HN 0.338 nan 8.150 nan 0.000 0.482 270 G N -2.233 106.607 108.800 0.067 0.000 2.176 270 G HA2 0.119 4.079 3.960 0.000 0.000 0.232 270 G HA3 0.119 4.079 3.960 0.000 0.000 0.232 270 G C 0.417 175.359 174.900 0.069 0.000 0.986 270 G CA 0.151 45.289 45.100 0.064 0.000 0.643 270 G HN 1.544 nan 8.290 nan 0.000 0.522 271 A N 0.166 123.025 122.820 0.065 0.000 2.425 271 A HA 0.515 4.835 4.320 0.000 0.000 0.249 271 A C 0.237 177.861 177.584 0.067 0.000 1.084 271 A CA 0.652 52.721 52.037 0.054 0.000 0.781 271 A CB 0.479 19.512 19.000 0.054 0.000 1.019 271 A HN 0.466 nan 8.150 nan 0.000 0.490 272 D N 2.108 122.539 120.400 0.052 0.000 2.428 272 D HA 0.449 5.089 4.640 0.000 0.000 0.221 272 D C -0.677 175.661 176.300 0.063 0.000 1.123 272 D CA 0.078 54.128 54.000 0.083 0.000 0.869 272 D CB -0.038 40.835 40.800 0.121 0.000 1.032 272 D HN 0.348 nan 8.370 nan 0.000 0.506 273 I N 3.007 123.622 120.570 0.076 0.000 2.404 273 I HA 0.289 4.459 4.170 0.000 0.000 0.293 273 I C 0.263 176.430 176.117 0.083 0.000 0.992 273 I CA -0.792 60.555 61.300 0.078 0.000 1.149 273 I CB 1.767 39.808 38.000 0.069 0.000 1.315 273 I HN 0.117 nan 8.210 nan 0.000 0.446 274 E N 3.988 124.260 120.200 0.120 0.000 2.238 274 E HA 0.539 4.890 4.350 0.000 0.000 0.267 274 E C -0.813 175.778 176.600 -0.015 0.000 0.887 274 E CA -0.440 56.034 56.400 0.123 0.000 0.769 274 E CB 2.605 32.478 29.700 0.287 0.000 1.187 274 E HN 0.679 nan 8.360 nan 0.000 0.416 275 T N -1.240 113.143 114.554 -0.286 0.000 2.907 275 T HA 0.829 5.179 4.350 0.000 0.000 0.292 275 T C 0.252 174.248 174.700 -1.174 0.000 1.043 275 T CA -0.771 60.919 62.100 -0.683 0.000 1.003 275 T CB 2.088 70.734 68.868 -0.369 0.000 1.084 275 T HN 0.383 nan 8.240 nan 0.000 0.483 276 G N 0.189 107.887 108.800 -1.836 0.000 3.209 276 G HA2 0.490 4.450 3.960 0.000 0.000 0.236 276 G HA3 0.490 4.450 3.960 0.000 0.000 0.236 276 G C 0.287 174.762 174.900 -0.708 0.000 1.329 276 G CA -0.522 43.708 45.100 -1.451 0.000 1.015 276 G HN 0.713 nan 8.290 nan 0.000 0.571 277 E N -0.536 119.454 120.200 -0.350 0.000 2.106 277 E HA -0.080 4.271 4.350 0.000 0.000 0.192 277 E C 1.024 177.537 176.600 -0.145 0.000 0.984 277 E CA 1.907 58.208 56.400 -0.165 0.000 0.806 277 E CB 0.204 29.879 29.700 -0.041 0.000 0.750 277 E HN 0.476 nan 8.360 nan 0.000 0.458 278 D N -1.090 119.244 120.400 -0.110 0.000 2.692 278 D HA 0.036 4.676 4.640 0.000 0.000 0.290 278 D C -0.513 175.847 176.300 0.100 0.000 1.455 278 D CA -0.564 53.432 54.000 -0.006 0.000 0.796 278 D CB -0.745 40.091 40.800 0.059 0.000 1.131 278 D HN 0.288 nan 8.370 nan 0.000 0.467 279 W N -0.001 121.297 121.300 -0.002 0.000 3.075 279 W HA 0.697 5.357 4.660 0.000 0.000 0.334 279 W C -1.955 174.568 176.519 0.007 0.000 1.243 279 W CA -1.322 56.023 57.345 -0.001 0.000 1.170 279 W CB 0.566 30.022 29.460 -0.006 0.000 1.452 279 W HN -0.285 nan 8.180 nan 0.000 0.572 280 I N 2.748 123.509 120.570 0.319 0.000 2.607 280 I HA 0.295 4.465 4.170 0.000 0.000 0.290 280 I C -0.242 176.089 176.117 0.355 0.000 1.129 280 I CA -0.651 60.762 61.300 0.188 0.000 1.042 280 I CB 2.540 40.587 38.000 0.078 0.000 1.242 280 I HN 0.463 nan 8.210 nan 0.000 0.421 281 S N 6.713 122.637 115.700 0.374 0.000 2.536 281 S HA 0.867 5.337 4.470 0.000 0.000 0.298 281 S C -1.036 173.653 174.600 0.149 0.000 1.083 281 S CA -0.749 57.606 58.200 0.257 0.000 0.995 281 S CB 2.409 65.767 63.200 0.263 0.000 1.058 281 S HN 0.647 nan 8.310 nan 0.000 0.488 282 L N 1.934 123.207 121.223 0.083 0.000 2.438 282 L HA 0.675 5.015 4.340 0.000 0.000 0.270 282 L C -1.964 174.890 176.870 -0.026 0.000 0.972 282 L CA -0.301 54.563 54.840 0.040 0.000 0.831 282 L CB 1.914 44.004 42.059 0.052 0.000 1.273 282 L HN 0.816 nan 8.230 nan 0.000 0.405 283 D N 4.734 125.078 120.400 -0.093 0.000 2.629 283 D HA 0.341 4.981 4.640 0.000 0.000 0.250 283 D C 0.230 176.351 176.300 -0.299 0.000 1.126 283 D CA -0.426 53.419 54.000 -0.257 0.000 0.852 283 D CB 1.866 42.393 40.800 -0.455 0.000 1.335 283 D HN 0.478 nan 8.370 nan 0.000 0.518 284 M N 1.539 121.013 119.600 -0.209 0.000 2.465 284 M HA 0.046 4.526 4.480 0.000 0.000 0.249 284 M C 0.144 176.437 176.300 -0.012 0.000 1.130 284 M CA 0.148 55.397 55.300 -0.086 0.000 1.067 284 M CB -0.611 31.971 32.600 -0.030 0.000 1.394 284 M HN 0.485 nan 8.290 nan 0.000 0.483 285 H N 0.349 119.430 119.070 0.017 0.000 2.791 285 H HA -0.152 4.404 4.556 0.000 0.000 0.302 285 H C 1.333 176.667 175.328 0.010 0.000 1.198 285 H CA 0.970 57.026 56.048 0.014 0.000 1.145 285 H CB -2.151 27.620 29.762 0.016 0.000 1.385 285 H HN 0.660 nan 8.280 nan 0.000 0.409 286 G N -0.437 108.406 108.800 0.071 0.000 2.168 286 G HA2 -0.351 3.609 3.960 0.000 0.000 0.263 286 G HA3 -0.351 3.609 3.960 0.000 0.000 0.263 286 G C 0.397 175.323 174.900 0.044 0.000 0.977 286 G CA 0.975 46.103 45.100 0.048 0.000 0.659 286 G HN 0.549 nan 8.290 nan 0.000 0.533 287 K N -0.037 120.396 120.400 0.055 0.000 2.095 287 K HA 0.584 4.904 4.320 0.000 0.000 0.252 287 K C 0.897 177.512 176.600 0.025 0.000 0.977 287 K CA -0.875 55.438 56.287 0.043 0.000 0.900 287 K CB 1.103 33.639 32.500 0.059 0.000 1.060 287 K HN 0.197 nan 8.250 nan 0.000 0.449 288 R N 1.819 122.331 120.500 0.020 0.000 2.679 288 R HA 0.154 4.494 4.340 0.000 0.000 0.269 288 R C -2.040 174.267 176.300 0.012 0.000 1.076 288 R CA -1.370 54.736 56.100 0.010 0.000 1.160 288 R CB 0.100 30.406 30.300 0.010 0.000 1.054 288 R HN 0.465 nan 8.270 nan 0.000 0.507 289 P HA 0.115 nan 4.420 nan 0.000 0.276 289 P C -1.219 176.088 177.300 0.013 0.000 1.244 289 P CA -0.232 62.869 63.100 0.002 0.000 0.801 289 P CB 0.876 32.561 31.700 -0.024 0.000 1.006 290 K N 0.980 121.395 120.400 0.024 0.000 2.183 290 K HA 0.494 4.814 4.320 0.000 0.000 0.274 290 K C 0.235 176.854 176.600 0.032 0.000 1.009 290 K CA -0.623 55.681 56.287 0.029 0.000 0.888 290 K CB 1.305 33.826 32.500 0.035 0.000 1.078 290 K HN 0.521 nan 8.250 nan 0.000 0.459 291 A N 2.391 125.227 122.820 0.028 0.000 2.561 291 A HA 0.170 4.490 4.320 0.000 0.000 0.234 291 A C 0.264 177.869 177.584 0.035 0.000 1.055 291 A CA -0.198 51.855 52.037 0.028 0.000 0.756 291 A CB -0.137 18.876 19.000 0.022 0.000 0.986 291 A HN 0.549 nan 8.150 nan 0.000 0.505 292 V N -0.163 119.777 119.914 0.044 0.000 3.074 292 V HA 0.867 4.987 4.120 0.000 0.000 0.314 292 V C -0.031 176.062 176.094 -0.000 0.000 1.117 292 V CA -0.669 61.655 62.300 0.040 0.000 1.014 292 V CB 1.741 33.621 31.823 0.094 0.000 1.057 292 V HN 0.789 nan 8.190 nan 0.000 0.438 293 T N 1.863 116.399 114.554 -0.031 0.000 2.771 293 T HA 0.716 5.066 4.350 0.000 0.000 0.281 293 T C -0.449 174.168 174.700 -0.139 0.000 0.982 293 T CA -0.324 61.737 62.100 -0.065 0.000 0.978 293 T CB 1.295 70.135 68.868 -0.047 0.000 0.930 293 T HN 0.733 nan 8.240 nan 0.000 0.447 294 V N 4.266 124.067 119.914 -0.188 0.000 2.604 294 V HA 0.587 4.707 4.120 0.000 0.000 0.305 294 V C -0.193 175.760 176.094 -0.234 0.000 1.043 294 V CA -1.049 61.028 62.300 -0.371 0.000 0.888 294 V CB 2.067 33.533 31.823 -0.595 0.000 0.995 294 V HN 0.752 nan 8.190 nan 0.000 0.429 295 R N 1.988 122.354 120.500 -0.223 0.000 2.468 295 R HA 0.450 4.790 4.340 0.000 0.000 0.302 295 R C -0.231 176.071 176.300 0.004 0.000 1.041 295 R CA -0.492 55.569 56.100 -0.065 0.000 0.899 295 R CB 1.947 32.231 30.300 -0.027 0.000 1.167 295 R HN 0.906 nan 8.270 nan 0.000 0.483 296 T N -0.090 114.511 114.554 0.078 0.000 2.919 296 T HA 0.677 5.027 4.350 0.000 0.000 0.302 296 T C 0.284 175.075 174.700 0.151 0.000 1.031 296 T CA -0.429 61.785 62.100 0.191 0.000 1.127 296 T CB 1.633 70.616 68.868 0.192 0.000 0.952 296 T HN 0.629 nan 8.240 nan 0.000 0.540 297 A N 3.344 126.257 122.820 0.155 0.000 2.564 297 A HA 0.784 5.104 4.320 0.000 0.000 0.291 297 A C -3.104 174.550 177.584 0.116 0.000 1.102 297 A CA -1.823 50.287 52.037 0.121 0.000 0.660 297 A CB 0.327 19.377 19.000 0.085 0.000 1.283 297 A HN 0.644 nan 8.150 nan 0.000 0.430 298 P HA 0.206 nan 4.420 nan 0.000 0.267 298 P C -0.385 176.973 177.300 0.097 0.000 1.200 298 P CA 0.484 63.649 63.100 0.109 0.000 0.772 298 P CB 0.135 31.886 31.700 0.086 0.000 0.855 299 H N 4.803 123.887 119.070 0.024 0.000 2.948 299 H HA 0.009 4.565 4.556 0.000 0.000 0.351 299 H C -1.111 174.222 175.328 0.008 0.000 1.079 299 H CA -0.656 55.393 56.048 0.002 0.000 1.407 299 H CB 0.229 29.987 29.762 -0.006 0.000 1.373 299 H HN 0.339 nan 8.280 nan 0.000 0.605 300 P HA 0.127 nan 4.420 nan 0.000 0.255 300 P C -0.410 176.685 177.300 -0.343 0.000 1.357 300 P CA 0.179 62.701 63.100 -0.962 0.000 0.839 300 P CB -0.078 31.196 31.700 -0.710 0.000 1.356 301 A N 0.423 123.158 122.820 -0.141 0.000 2.267 301 A HA 0.267 4.587 4.320 0.000 0.000 0.271 301 A C -0.206 177.395 177.584 0.029 0.000 1.131 301 A CA -0.581 51.444 52.037 -0.020 0.000 0.818 301 A CB -0.482 18.535 19.000 0.028 0.000 1.118 301 A HN 0.162 nan 8.150 nan 0.000 0.501 302 F N 1.722 121.634 119.950 -0.063 0.000 2.602 302 F HA 0.230 4.757 4.527 -0.000 0.000 0.385 302 F C -1.589 174.180 175.800 -0.052 0.000 1.063 302 F CA -1.225 56.721 58.000 -0.089 0.000 1.233 302 F CB 0.554 39.471 39.000 -0.140 0.000 1.067 302 F HN 0.260 nan 8.300 nan 0.000 0.564 303 P HA -0.010 nan 4.420 nan 0.000 0.276 303 P C 0.291 177.505 177.300 -0.143 0.000 1.235 303 P CA -0.093 62.861 63.100 -0.244 0.000 0.772 303 P CB 1.559 33.086 31.700 -0.289 0.000 0.871 304 T N 1.566 116.092 114.554 -0.047 0.000 2.803 304 T HA -0.132 4.218 4.350 0.000 0.000 0.269 304 T C 0.983 175.612 174.700 -0.119 0.000 1.052 304 T CA 1.582 63.639 62.100 -0.072 0.000 1.136 304 T CB -0.627 68.087 68.868 -0.257 0.000 0.864 304 T HN 0.329 nan 8.240 nan 0.000 0.467 305 D N 0.336 120.648 120.400 -0.147 0.000 2.378 305 D HA 0.041 4.681 4.640 0.000 0.000 0.227 305 D C 1.322 177.580 176.300 -0.070 0.000 1.012 305 D CA 0.478 54.402 54.000 -0.126 0.000 0.905 305 D CB 0.067 40.793 40.800 -0.124 0.000 0.895 305 D HN 0.381 nan 8.370 nan 0.000 0.532 306 M N -0.240 119.325 119.600 -0.058 0.000 2.313 306 M HA 0.057 4.537 4.480 0.000 0.000 0.273 306 M C 1.633 178.123 176.300 0.316 0.000 1.049 306 M CA 0.116 55.448 55.300 0.053 0.000 1.004 306 M CB 0.368 32.836 32.600 -0.220 0.000 1.461 306 M HN -0.017 nan 8.290 nan 0.000 0.514 307 Q N 0.904 120.859 119.800 0.259 0.000 2.020 307 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 307 Q C 1.756 177.914 176.000 0.263 0.000 0.982 307 Q CA 2.198 58.189 55.803 0.312 0.000 0.838 307 Q CB 0.060 28.907 28.738 0.182 0.000 0.899 307 Q HN 0.452 nan 8.270 nan 0.000 0.423 308 A N 0.532 123.395 122.820 0.071 0.000 1.940 308 A HA -0.257 4.063 4.320 0.000 0.000 0.219 308 A C 1.992 179.625 177.584 0.082 0.000 1.176 308 A CA 1.848 53.835 52.037 -0.082 0.000 0.631 308 A CB -0.504 18.129 19.000 -0.611 0.000 0.814 308 A HN 0.493 nan 8.150 nan 0.000 0.446 309 Q N -1.246 118.620 119.800 0.109 0.000 2.046 309 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 309 Q C 1.678 177.741 176.000 0.106 0.000 0.975 309 Q CA 1.658 57.516 55.803 0.092 0.000 0.836 309 Q CB -0.443 28.351 28.738 0.093 0.000 0.896 309 Q HN 0.673 nan 8.270 nan 0.000 0.428 310 F N 0.212 120.244 119.950 0.137 0.000 2.293 310 F HA -0.125 4.402 4.527 0.000 0.000 0.300 310 F C 2.238 178.088 175.800 0.083 0.000 1.086 310 F CA 1.154 59.227 58.000 0.121 0.000 1.375 310 F CB -0.550 38.538 39.000 0.147 0.000 1.045 310 F HN 0.026 nan 8.300 nan 0.000 0.516 311 T N 0.632 115.350 114.554 0.272 0.000 2.684 311 T HA -0.215 4.135 4.350 0.000 0.000 0.267 311 T C 2.056 176.823 174.700 0.113 0.000 1.036 311 T CA 1.522 63.742 62.100 0.201 0.000 1.148 311 T CB -0.583 68.475 68.868 0.317 0.000 0.863 311 T HN 0.177 nan 8.240 nan 0.000 0.436 312 L N 1.216 122.502 121.223 0.105 0.000 2.012 312 L HA 0.027 4.367 4.340 0.000 0.000 0.210 312 L C 2.227 179.086 176.870 -0.019 0.000 1.073 312 L CA 1.552 56.415 54.840 0.038 0.000 0.748 312 L CB -0.900 41.172 42.059 0.021 0.000 0.891 312 L HN 0.277 nan 8.230 nan 0.000 0.431 313 L N -0.237 120.944 121.223 -0.070 0.000 2.013 313 L HA -0.299 4.041 4.340 0.000 0.000 0.212 313 L C 2.279 179.117 176.870 -0.054 0.000 1.073 313 L CA 1.992 56.758 54.840 -0.122 0.000 0.753 313 L CB -0.581 41.297 42.059 -0.301 0.000 0.890 313 L HN 0.418 nan 8.230 nan 0.000 0.432 314 N N -0.119 118.573 118.700 -0.014 0.000 2.166 314 N HA -0.158 4.582 4.740 0.000 0.000 0.186 314 N C 1.821 177.326 175.510 -0.010 0.000 1.019 314 N CA 1.407 54.456 53.050 -0.002 0.000 0.856 314 N CB -0.380 38.110 38.487 0.005 0.000 0.993 314 N HN 0.376 nan 8.380 nan 0.000 0.426 315 L N 0.312 121.529 121.223 -0.011 0.000 2.275 315 L HA -0.055 4.285 4.340 0.000 0.000 0.215 315 L C 1.409 178.269 176.870 -0.017 0.000 1.119 315 L CA 0.612 55.443 54.840 -0.015 0.000 0.790 315 L CB -0.107 41.940 42.059 -0.019 0.000 0.919 315 L HN 0.078 nan 8.230 nan 0.000 0.443 316 V N -4.564 115.338 119.914 -0.019 0.000 3.176 316 V HA 0.554 4.674 4.120 0.000 0.000 0.332 316 V C 0.692 176.779 176.094 -0.012 0.000 1.414 316 V CA -0.235 62.053 62.300 -0.020 0.000 1.133 316 V CB -0.436 31.370 31.823 -0.028 0.000 1.088 316 V HN 0.112 nan 8.190 nan 0.000 0.473 317 A N 0.634 123.451 122.820 -0.004 0.000 2.247 317 A HA 0.793 5.113 4.320 0.000 0.000 0.313 317 A C -0.072 177.523 177.584 0.018 0.000 1.109 317 A CA -0.543 51.496 52.037 0.003 0.000 0.890 317 A CB 0.968 19.970 19.000 0.003 0.000 1.239 317 A HN 0.431 nan 8.150 nan 0.000 0.506 318 E N -0.426 119.786 120.200 0.021 0.000 2.089 318 E HA 0.489 4.839 4.350 0.000 0.000 0.284 318 E C 0.384 177.005 176.600 0.035 0.000 1.023 318 E CA 1.151 57.568 56.400 0.028 0.000 0.819 318 E CB -0.029 29.686 29.700 0.025 0.000 1.076 318 E HN 1.639 nan 8.360 nan 0.000 0.396 319 G N 2.745 111.573 108.800 0.047 0.000 2.526 319 G HA2 -0.135 3.825 3.960 0.000 0.000 0.250 319 G HA3 -0.135 3.825 3.960 0.000 0.000 0.250 319 G C -0.525 174.419 174.900 0.075 0.000 1.289 319 G CA -0.453 44.681 45.100 0.057 0.000 0.947 319 G HN 0.585 nan 8.290 nan 0.000 0.517 320 T N 0.274 114.873 114.554 0.076 0.000 2.888 320 T HA 0.770 5.120 4.350 0.000 0.000 0.284 320 T C 0.443 175.142 174.700 -0.002 0.000 1.017 320 T CA 0.479 62.615 62.100 0.061 0.000 1.022 320 T CB 1.663 70.621 68.868 0.151 0.000 1.013 320 T HN 1.868 nan 8.240 nan 0.000 0.465 321 G N 0.716 109.481 108.800 -0.058 0.000 2.746 321 G HA2 0.583 4.543 3.960 0.000 0.000 0.297 321 G HA3 0.583 4.543 3.960 0.000 0.000 0.297 321 G C -1.633 173.212 174.900 -0.092 0.000 1.426 321 G CA -0.480 44.589 45.100 -0.051 0.000 0.989 321 G HN 0.688 nan 8.290 nan 0.000 0.520 322 V N 3.129 122.996 119.914 -0.078 0.000 2.448 322 V HA 0.455 4.575 4.120 0.000 0.000 0.295 322 V C -0.265 175.782 176.094 -0.079 0.000 1.025 322 V CA -0.923 61.318 62.300 -0.098 0.000 0.859 322 V CB 1.596 33.368 31.823 -0.085 0.000 0.988 322 V HN 0.599 nan 8.190 nan 0.000 0.431 323 I N 3.739 124.262 120.570 -0.079 0.000 2.315 323 I HA 0.389 4.559 4.170 0.000 0.000 0.291 323 I C 0.345 176.490 176.117 0.047 0.000 1.006 323 I CA 0.156 61.448 61.300 -0.013 0.000 1.265 323 I CB 1.351 39.405 38.000 0.089 0.000 1.387 323 I HN 0.561 nan 8.210 nan 0.000 0.475 324 T N 5.120 119.712 114.554 0.063 0.000 2.797 324 T HA 0.260 4.610 4.350 0.000 0.000 0.279 324 T C -0.005 174.807 174.700 0.186 0.000 0.991 324 T CA -0.485 61.692 62.100 0.128 0.000 0.979 324 T CB 1.661 70.564 68.868 0.057 0.000 0.943 324 T HN 0.362 nan 8.240 nan 0.000 0.444 325 E N 2.069 122.438 120.200 0.282 0.000 2.014 325 E HA 0.264 4.614 4.350 0.000 0.000 0.275 325 E C 1.269 177.966 176.600 0.162 0.000 0.997 325 E CA -0.359 56.159 56.400 0.196 0.000 0.804 325 E CB 0.467 30.236 29.700 0.116 0.000 1.090 325 E HN 0.726 nan 8.360 nan 0.000 0.401 326 T N 1.608 116.243 114.554 0.135 0.000 3.014 326 T HA -0.057 4.293 4.350 0.000 0.000 0.263 326 T C 1.587 176.348 174.700 0.102 0.000 1.078 326 T CA 1.071 63.234 62.100 0.104 0.000 1.135 326 T CB -0.305 68.612 68.868 0.081 0.000 0.895 326 T HN 0.507 nan 8.240 nan 0.000 0.480 327 I N -2.630 118.031 120.570 0.153 0.000 2.834 327 I HA 0.401 4.571 4.170 0.000 0.000 0.239 327 I C 0.739 176.901 176.117 0.075 0.000 1.073 327 I CA -0.400 60.971 61.300 0.118 0.000 1.459 327 I CB -0.600 37.524 38.000 0.207 0.000 1.288 327 I HN -0.029 nan 8.210 nan 0.000 0.455 328 F N 1.949 121.893 119.950 -0.009 0.000 2.352 328 F HA 0.424 4.951 4.527 0.000 0.000 0.304 328 F C 0.601 176.374 175.800 -0.045 0.000 1.215 328 F CA -0.341 57.639 58.000 -0.032 0.000 1.121 328 F CB 0.279 39.244 39.000 -0.058 0.000 1.329 328 F HN 0.119 nan 8.300 nan 0.000 0.528 329 E N -1.056 119.246 120.200 0.171 0.000 2.445 329 E HA 0.200 4.550 4.350 0.000 0.000 0.273 329 E C -0.996 175.623 176.600 0.032 0.000 0.961 329 E CA -1.221 55.224 56.400 0.074 0.000 0.807 329 E CB 1.149 30.885 29.700 0.060 0.000 1.362 329 E HN 0.439 nan 8.360 nan 0.000 0.453 330 N N 0.656 119.375 118.700 0.031 0.000 2.698 330 N HA -0.219 4.521 4.740 0.000 0.000 0.258 330 N C 0.115 175.598 175.510 -0.045 0.000 0.978 330 N CA 0.523 53.590 53.050 0.028 0.000 0.777 330 N CB -0.398 38.113 38.487 0.041 0.000 0.907 330 N HN 0.393 nan 8.380 nan 0.000 0.543 331 R N -0.648 119.718 120.500 -0.223 0.000 2.365 331 R HA 0.338 4.678 4.340 0.000 0.000 0.223 331 R C 0.396 176.475 176.300 -0.369 0.000 0.899 331 R CA 0.470 56.356 56.100 -0.357 0.000 1.059 331 R CB 0.176 30.165 30.300 -0.517 0.000 1.086 331 R HN 0.306 nan 8.270 nan 0.000 0.522 332 F N -0.378 119.626 119.950 0.089 0.000 2.819 332 F HA 0.265 4.792 4.527 0.000 0.000 0.294 332 F C 1.247 177.015 175.800 -0.054 0.000 1.166 332 F CA -0.215 57.801 58.000 0.027 0.000 1.374 332 F CB 0.155 39.135 39.000 -0.034 0.000 0.956 332 F HN -0.104 nan 8.300 nan 0.000 0.509 333 M N 0.088 119.775 119.600 0.145 0.000 2.319 333 M HA -0.148 4.332 4.480 0.000 0.000 0.265 333 M C 2.520 178.854 176.300 0.057 0.000 1.068 333 M CA 1.093 56.444 55.300 0.085 0.000 1.118 333 M CB -0.504 32.137 32.600 0.068 0.000 1.395 333 M HN 0.399 nan 8.290 nan 0.000 0.435 334 H N -0.998 118.099 119.070 0.044 0.000 2.521 334 H HA 0.024 4.580 4.556 -0.000 0.000 0.286 334 H C 1.885 177.241 175.328 0.047 0.000 1.034 334 H CA 0.939 57.005 56.048 0.029 0.000 1.278 334 H CB -1.227 28.544 29.762 0.017 0.000 1.386 334 H HN 0.207 nan 8.280 nan 0.000 0.567 335 V N 2.135 121.728 119.914 -0.536 0.000 2.392 335 V HA -0.165 3.955 4.120 0.000 0.000 0.249 335 V C -0.366 175.655 176.094 -0.121 0.000 1.059 335 V CA 2.007 64.107 62.300 -0.333 0.000 1.051 335 V CB -1.270 30.405 31.823 -0.248 0.000 0.658 335 V HN 0.422 nan 8.190 nan 0.000 0.455 336 P HA -0.066 nan 4.420 nan 0.000 0.223 336 P C 1.577 178.871 177.300 -0.010 0.000 1.151 336 P CA 0.887 63.973 63.100 -0.024 0.000 0.787 336 P CB 0.046 31.742 31.700 -0.006 0.000 0.788 337 E N -0.416 119.782 120.200 -0.004 0.000 2.072 337 E HA -0.063 4.287 4.350 0.000 0.000 0.190 337 E C 2.045 178.649 176.600 0.007 0.000 0.982 337 E CA 0.932 57.340 56.400 0.013 0.000 0.803 337 E CB -0.781 28.940 29.700 0.036 0.000 0.755 337 E HN 0.317 nan 8.360 nan 0.000 0.453 338 L N 0.534 121.757 121.223 -0.001 0.000 2.093 338 L HA -0.126 4.214 4.340 0.000 0.000 0.208 338 L C 2.541 179.398 176.870 -0.023 0.000 1.085 338 L CA 0.711 55.547 54.840 -0.006 0.000 0.755 338 L CB -0.342 41.715 42.059 -0.005 0.000 0.904 338 L HN 0.081 nan 8.230 nan 0.000 0.435 339 I N -0.376 120.180 120.570 -0.023 0.000 2.208 339 I HA -0.309 3.861 4.170 0.000 0.000 0.245 339 I C 2.559 178.668 176.117 -0.012 0.000 1.097 339 I CA 1.269 62.560 61.300 -0.016 0.000 1.363 339 I CB -0.215 37.787 38.000 0.003 0.000 1.051 339 I HN 0.171 nan 8.210 nan 0.000 0.413 340 R N -0.025 120.472 120.500 -0.005 0.000 2.241 340 R HA -0.043 4.297 4.340 0.000 0.000 0.224 340 R C 1.780 178.075 176.300 -0.008 0.000 1.101 340 R CA 0.952 57.052 56.100 -0.001 0.000 0.995 340 R CB -0.072 30.232 30.300 0.005 0.000 0.870 340 R HN 0.369 nan 8.270 nan 0.000 0.463 341 M N -1.190 118.400 119.600 -0.017 0.000 2.431 341 M HA 0.191 4.671 4.480 0.000 0.000 0.237 341 M C 0.605 176.876 176.300 -0.048 0.000 1.130 341 M CA 0.381 55.667 55.300 -0.024 0.000 1.002 341 M CB 1.383 33.973 32.600 -0.018 0.000 1.524 341 M HN 0.377 nan 8.290 nan 0.000 0.482 342 G N 0.461 109.222 108.800 -0.064 0.000 2.163 342 G HA2 -0.158 3.802 3.960 0.000 0.000 0.213 342 G HA3 -0.158 3.802 3.960 0.000 0.000 0.213 342 G C 0.135 174.880 174.900 -0.257 0.000 0.991 342 G CA -0.084 44.941 45.100 -0.125 0.000 0.653 342 G HN 0.631 nan 8.290 nan 0.000 0.518 343 A N 0.504 123.216 122.820 -0.179 0.000 2.351 343 A HA 0.645 4.965 4.320 0.000 0.000 0.257 343 A C 0.037 177.518 177.584 -0.171 0.000 1.087 343 A CA -0.151 51.770 52.037 -0.193 0.000 0.798 343 A CB 0.258 19.210 19.000 -0.080 0.000 1.033 343 A HN 0.460 nan 8.150 nan 0.000 0.488 344 H N 0.345 119.436 119.070 0.035 0.000 2.595 344 H HA 0.668 5.224 4.556 -0.000 0.000 0.313 344 H C -0.109 175.261 175.328 0.071 0.000 1.023 344 H CA 0.238 56.329 56.048 0.072 0.000 1.218 344 H CB 1.128 30.958 29.762 0.113 0.000 1.403 344 H HN 0.890 nan 8.280 nan 0.000 0.477 345 A N 3.009 125.921 122.820 0.153 0.000 2.574 345 A HA 0.597 4.917 4.320 0.000 0.000 0.297 345 A C -1.043 176.543 177.584 0.003 0.000 1.062 345 A CA -0.846 51.199 52.037 0.014 0.000 0.686 345 A CB 1.767 20.728 19.000 -0.064 0.000 1.285 345 A HN 0.531 nan 8.150 nan 0.000 0.403 346 E N 0.611 120.779 120.200 -0.054 0.000 2.222 346 E HA 0.629 4.979 4.350 0.000 0.000 0.267 346 E C -1.087 175.437 176.600 -0.128 0.000 0.884 346 E CA -0.217 56.154 56.400 -0.049 0.000 0.764 346 E CB 2.088 31.785 29.700 -0.005 0.000 1.169 346 E HN 0.532 nan 8.360 nan 0.000 0.413 347 I N 2.224 122.725 120.570 -0.115 0.000 2.336 347 I HA 0.326 4.496 4.170 0.000 0.000 0.292 347 I C -0.375 175.682 176.117 -0.099 0.000 0.991 347 I CA -0.469 60.730 61.300 -0.168 0.000 1.227 347 I CB 1.339 39.278 38.000 -0.101 0.000 1.366 347 I HN 0.428 nan 8.210 nan 0.000 0.466 348 E N 4.580 124.710 120.200 -0.117 0.000 2.316 348 E HA 0.452 4.802 4.350 0.000 0.000 0.254 348 E C -0.500 176.086 176.600 -0.023 0.000 0.902 348 E CA 0.034 56.404 56.400 -0.050 0.000 0.801 348 E CB 1.312 30.985 29.700 -0.047 0.000 1.270 348 E HN 0.710 nan 8.360 nan 0.000 0.414 349 S N 2.338 118.055 115.700 0.028 0.000 3.790 349 S HA -0.352 4.119 4.470 0.000 0.000 0.628 349 S C 0.546 175.243 174.600 0.163 0.000 2.348 349 S CA 1.183 59.428 58.200 0.075 0.000 3.927 349 S CB -0.938 62.295 63.200 0.055 0.000 0.236 349 S HN 0.871 nan 8.310 nan 0.000 0.953 350 N N 1.004 119.819 118.700 0.191 0.000 2.509 350 N HA 0.341 5.081 4.740 0.000 0.000 0.239 350 N C -0.366 175.368 175.510 0.374 0.000 1.215 350 N CA 0.218 53.481 53.050 0.355 0.000 0.882 350 N CB 0.244 38.861 38.487 0.217 0.000 1.189 350 N HN 0.366 nan 8.380 nan 0.000 0.490 351 T N 0.152 114.749 114.554 0.072 0.000 2.916 351 T HA 0.325 4.675 4.350 0.000 0.000 0.305 351 T C -1.577 172.711 174.700 -0.687 0.000 1.119 351 T CA -0.666 61.290 62.100 -0.240 0.000 1.008 351 T CB 2.394 71.200 68.868 -0.103 0.000 1.129 351 T HN 0.003 nan 8.240 nan 0.000 0.480 352 V N 5.041 124.497 119.914 -0.764 0.000 2.447 352 V HA 0.598 4.718 4.120 0.000 0.000 0.292 352 V C -1.179 174.702 176.094 -0.356 0.000 1.021 352 V CA -0.807 61.100 62.300 -0.654 0.000 0.850 352 V CB 0.860 32.207 31.823 -0.794 0.000 1.005 352 V HN 0.791 nan 8.190 nan 0.000 0.426 353 I N 7.408 127.808 120.570 -0.283 0.000 2.379 353 I HA 0.319 4.489 4.170 0.000 0.000 0.290 353 I C 0.326 176.192 176.117 -0.418 0.000 1.063 353 I CA 0.506 61.632 61.300 -0.290 0.000 1.351 353 I CB 0.431 38.299 38.000 -0.220 0.000 1.410 353 I HN 0.534 nan 8.210 nan 0.000 0.505 354 C N 6.289 125.353 119.300 -0.393 0.000 2.307 354 C HA 0.410 4.870 4.460 0.000 0.000 0.340 354 C C 0.011 174.739 174.990 -0.435 0.000 1.275 354 C CA -0.634 58.181 59.018 -0.339 0.000 1.811 354 C CB -0.313 27.337 27.740 -0.149 0.000 2.372 354 C HN 0.575 nan 8.230 nan 0.000 0.531 355 H N 1.709 120.797 119.070 0.030 0.000 2.718 355 H HA 0.309 4.865 4.556 -0.000 0.000 0.295 355 H C 0.624 175.989 175.328 0.061 0.000 1.051 355 H CA -0.046 56.032 56.048 0.051 0.000 1.260 355 H CB 1.011 30.819 29.762 0.077 0.000 1.403 355 H HN 0.934 nan 8.280 nan 0.000 0.488 356 G N 2.006 110.876 108.800 0.117 0.000 2.474 356 G HA2 0.285 4.245 3.960 0.000 0.000 0.233 356 G HA3 0.285 4.245 3.960 0.000 0.000 0.233 356 G C 0.423 175.370 174.900 0.078 0.000 1.278 356 G CA -0.013 45.128 45.100 0.068 0.000 0.861 356 G HN 0.455 nan 8.290 nan 0.000 0.567 357 V N -0.102 119.827 119.914 0.025 0.000 3.126 357 V HA 0.643 4.763 4.120 0.000 0.000 0.314 357 V C 1.050 177.143 176.094 -0.002 0.000 1.138 357 V CA -0.686 61.620 62.300 0.010 0.000 1.034 357 V CB 1.888 33.662 31.823 -0.080 0.000 1.075 357 V HN 0.641 nan 8.190 nan 0.000 0.442 358 E N 0.834 121.035 120.200 0.002 0.000 2.017 358 E HA 0.042 4.392 4.350 0.000 0.000 0.193 358 E C 0.380 176.973 176.600 -0.012 0.000 0.997 358 E CA 1.652 58.052 56.400 -0.000 0.000 0.804 358 E CB 0.154 29.857 29.700 0.005 0.000 0.757 358 E HN 0.636 nan 8.360 nan 0.000 0.448 359 K N -0.422 119.965 120.400 -0.022 0.000 2.502 359 K HA 0.359 4.679 4.320 0.000 0.000 0.257 359 K C -0.788 175.788 176.600 -0.041 0.000 0.938 359 K CA -0.592 55.680 56.287 -0.026 0.000 0.819 359 K CB 1.714 34.204 32.500 -0.017 0.000 1.333 359 K HN 0.044 nan 8.250 nan 0.000 0.434 360 L N 0.714 121.913 121.223 -0.039 0.000 2.416 360 L HA 0.461 4.801 4.340 0.000 0.000 0.262 360 L C 0.277 177.128 176.870 -0.032 0.000 1.093 360 L CA -0.582 54.231 54.840 -0.046 0.000 0.801 360 L CB 1.349 43.385 42.059 -0.039 0.000 1.191 360 L HN 0.456 nan 8.230 nan 0.000 0.459 361 S N -0.447 115.235 115.700 -0.030 0.000 2.482 361 S HA 0.495 4.965 4.470 0.000 0.000 0.303 361 S C 0.114 174.707 174.600 -0.012 0.000 1.091 361 S CA -0.689 57.500 58.200 -0.018 0.000 1.057 361 S CB 1.782 64.972 63.200 -0.016 0.000 1.031 361 S HN 0.784 nan 8.310 nan 0.000 0.485 362 G N 1.255 110.052 108.800 -0.006 0.000 2.474 362 G HA2 0.468 4.428 3.960 0.000 0.000 0.233 362 G HA3 0.468 4.428 3.960 0.000 0.000 0.233 362 G C -0.164 174.737 174.900 0.002 0.000 1.278 362 G CA 0.337 45.437 45.100 -0.001 0.000 0.861 362 G HN 1.057 nan 8.290 nan 0.000 0.567 363 A N 1.384 124.208 122.820 0.007 0.000 2.540 363 A HA 0.646 4.966 4.320 0.000 0.000 0.291 363 A C -0.671 176.922 177.584 0.015 0.000 1.083 363 A CA -0.716 51.327 52.037 0.009 0.000 0.650 363 A CB 0.875 19.879 19.000 0.006 0.000 1.292 363 A HN 0.633 nan 8.150 nan 0.000 0.435 364 Q N 0.558 120.368 119.800 0.017 0.000 2.322 364 Q HA 0.519 4.859 4.340 0.000 0.000 0.256 364 Q C -0.380 175.633 176.000 0.021 0.000 0.960 364 Q CA -0.492 55.323 55.803 0.021 0.000 0.934 364 Q CB 1.548 30.298 28.738 0.020 0.000 1.200 364 Q HN 0.990 nan 8.270 nan 0.000 0.435 365 V N -0.198 119.731 119.914 0.025 0.000 3.102 365 V HA 0.793 4.913 4.120 0.000 0.000 0.312 365 V C -0.727 175.383 176.094 0.027 0.000 1.135 365 V CA -1.040 61.275 62.300 0.026 0.000 1.022 365 V CB 2.655 34.494 31.823 0.027 0.000 1.056 365 V HN 0.753 nan 8.190 nan 0.000 0.436 366 M N 1.815 121.430 119.600 0.025 0.000 2.465 366 M HA 0.855 5.335 4.480 0.000 0.000 0.284 366 M C -1.807 174.499 176.300 0.010 0.000 1.212 366 M CA -0.183 55.128 55.300 0.019 0.000 0.910 366 M CB 2.046 34.660 32.600 0.023 0.000 1.725 366 M HN 1.566 nan 8.290 nan 0.000 0.477 367 A N 1.695 124.505 122.820 -0.016 0.000 2.488 367 A HA 0.558 4.878 4.320 0.000 0.000 0.295 367 A C 0.313 177.788 177.584 -0.181 0.000 1.045 367 A CA 0.160 52.165 52.037 -0.053 0.000 0.703 367 A CB 0.963 19.950 19.000 -0.022 0.000 1.271 367 A HN 0.962 nan 8.150 nan 0.000 0.400 368 T N -0.997 113.397 114.554 -0.268 0.000 2.985 368 T HA 0.010 4.360 4.350 0.000 0.000 0.266 368 T C 0.507 174.799 174.700 -0.679 0.000 1.076 368 T CA 1.392 63.099 62.100 -0.656 0.000 1.135 368 T CB -0.450 68.182 68.868 -0.394 0.000 0.890 368 T HN 0.658 nan 8.240 nan 0.000 0.480 369 D N 0.853 121.064 120.400 -0.316 0.000 2.383 369 D HA 0.182 4.822 4.640 0.000 0.000 0.252 369 D C 1.221 177.422 176.300 -0.165 0.000 1.166 369 D CA -0.465 53.404 54.000 -0.218 0.000 0.879 369 D CB 0.868 41.577 40.800 -0.152 0.000 1.164 369 D HN 0.059 nan 8.370 nan 0.000 0.462 370 L N 5.150 126.320 121.223 -0.088 0.000 1.991 370 L HA -0.254 4.086 4.340 0.000 0.000 0.221 370 L C 1.878 178.772 176.870 0.039 0.000 1.079 370 L CA 1.856 56.714 54.840 0.029 0.000 0.778 370 L CB -0.433 41.677 42.059 0.084 0.000 0.893 370 L HN 0.477 nan 8.230 nan 0.000 0.437 371 R N 0.082 120.582 120.500 0.001 0.000 2.090 371 R HA 0.071 4.411 4.340 0.000 0.000 0.228 371 R C 2.270 178.491 176.300 -0.132 0.000 1.110 371 R CA 1.322 57.410 56.100 -0.020 0.000 0.973 371 R CB -1.591 28.679 30.300 -0.049 0.000 0.869 371 R HN 0.569 nan 8.270 nan 0.000 0.440 372 A N 0.626 123.322 122.820 -0.207 0.000 1.902 372 A HA -0.164 4.156 4.320 0.000 0.000 0.217 372 A C 2.439 179.939 177.584 -0.140 0.000 1.181 372 A CA 1.996 53.850 52.037 -0.305 0.000 0.623 372 A CB -0.608 18.238 19.000 -0.257 0.000 0.818 372 A HN 0.333 nan 8.150 nan 0.000 0.443 373 S N -0.546 115.094 115.700 -0.100 0.000 2.355 373 S HA -0.006 4.464 4.470 0.000 0.000 0.222 373 S C 2.207 176.758 174.600 -0.081 0.000 1.031 373 S CA 1.445 59.607 58.200 -0.062 0.000 0.993 373 S CB -0.477 62.696 63.200 -0.046 0.000 0.859 373 S HN 0.819 nan 8.310 nan 0.000 0.453 374 A N 0.622 123.357 122.820 -0.142 0.000 1.978 374 A HA -0.039 4.281 4.320 0.000 0.000 0.220 374 A C 2.356 179.830 177.584 -0.183 0.000 1.170 374 A CA 2.047 53.929 52.037 -0.257 0.000 0.636 374 A CB -0.978 17.735 19.000 -0.479 0.000 0.810 374 A HN 0.554 nan 8.150 nan 0.000 0.448 375 S N -0.256 115.366 115.700 -0.130 0.000 2.383 375 S HA -0.047 4.423 4.470 0.000 0.000 0.227 375 S C 1.722 176.294 174.600 -0.047 0.000 1.026 375 S CA 1.247 59.395 58.200 -0.086 0.000 0.981 375 S CB -0.375 62.784 63.200 -0.067 0.000 0.818 375 S HN 0.548 nan 8.310 nan 0.000 0.472 376 L N 0.878 122.083 121.223 -0.030 0.000 2.201 376 L HA -0.042 4.298 4.340 0.000 0.000 0.212 376 L C 2.171 179.030 176.870 -0.017 0.000 1.105 376 L CA 0.637 55.477 54.840 -0.001 0.000 0.775 376 L CB -0.532 41.538 42.059 0.018 0.000 0.913 376 L HN 0.211 nan 8.230 nan 0.000 0.440 377 V N 0.068 119.955 119.914 -0.044 0.000 2.379 377 V HA -0.234 3.886 4.120 0.000 0.000 0.245 377 V C 2.348 178.388 176.094 -0.089 0.000 1.044 377 V CA 1.364 63.626 62.300 -0.064 0.000 1.036 377 V CB -0.277 31.482 31.823 -0.107 0.000 0.664 377 V HN 0.338 nan 8.190 nan 0.000 0.453 378 L N 0.320 121.480 121.223 -0.105 0.000 2.083 378 L HA -0.138 4.202 4.340 0.000 0.000 0.209 378 L C 2.769 179.603 176.870 -0.060 0.000 1.083 378 L CA 1.492 56.276 54.840 -0.092 0.000 0.752 378 L CB -0.945 41.050 42.059 -0.106 0.000 0.899 378 L HN 0.357 nan 8.230 nan 0.000 0.433 379 A N 0.736 123.529 122.820 -0.045 0.000 1.908 379 A HA -0.149 4.171 4.320 0.000 0.000 0.218 379 A C 2.434 180.003 177.584 -0.025 0.000 1.181 379 A CA 1.852 53.873 52.037 -0.028 0.000 0.627 379 A CB -1.268 17.726 19.000 -0.010 0.000 0.818 379 A HN 0.443 nan 8.150 nan 0.000 0.445 380 G N -1.035 107.750 108.800 -0.024 0.000 2.422 380 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 380 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 380 G C 1.516 176.400 174.900 -0.027 0.000 1.146 380 G CA 1.267 46.356 45.100 -0.019 0.000 0.769 380 G HN 0.537 nan 8.290 nan 0.000 0.547 381 C N 0.727 120.003 119.300 -0.040 0.000 2.419 381 C HA 0.045 4.505 4.460 0.000 0.000 0.281 381 C C 2.459 177.432 174.990 -0.029 0.000 1.336 381 C CA 0.865 59.860 59.018 -0.039 0.000 1.770 381 C CB -0.949 26.763 27.740 -0.046 0.000 1.929 381 C HN 0.665 nan 8.230 nan 0.000 0.509 382 I N -1.762 118.791 120.570 -0.028 0.000 4.082 382 I HA 0.432 4.602 4.170 0.000 0.000 0.337 382 I C 0.882 176.987 176.117 -0.021 0.000 1.352 382 I CA -0.246 61.040 61.300 -0.024 0.000 1.097 382 I CB -0.348 37.636 38.000 -0.026 0.000 1.048 382 I HN 0.037 nan 8.210 nan 0.000 0.393 383 A N 1.619 124.427 122.820 -0.020 0.000 2.332 383 A HA 0.391 4.711 4.320 0.000 0.000 0.258 383 A C -0.127 177.448 177.584 -0.014 0.000 1.087 383 A CA -0.185 51.841 52.037 -0.018 0.000 0.802 383 A CB 0.432 19.423 19.000 -0.016 0.000 1.042 383 A HN 0.407 nan 8.150 nan 0.000 0.489 384 E N 0.082 120.274 120.200 -0.013 0.000 2.223 384 E HA 0.485 4.835 4.350 0.000 0.000 0.282 384 E C 0.707 177.304 176.600 -0.006 0.000 1.046 384 E CA 1.409 57.803 56.400 -0.009 0.000 0.857 384 E CB 0.173 29.868 29.700 -0.009 0.000 1.055 384 E HN 1.564 nan 8.360 nan 0.000 0.409 385 G N 3.052 111.849 108.800 -0.004 0.000 2.451 385 G HA2 -0.178 3.782 3.960 0.000 0.000 0.208 385 G HA3 -0.178 3.782 3.960 0.000 0.000 0.208 385 G C -0.568 174.333 174.900 0.000 0.000 1.248 385 G CA -0.365 44.734 45.100 -0.001 0.000 0.989 385 G HN 0.614 nan 8.290 nan 0.000 0.559 386 T N 1.424 115.981 114.554 0.004 0.000 2.767 386 T HA 0.671 5.021 4.350 0.000 0.000 0.284 386 T C -0.065 174.642 174.700 0.012 0.000 0.973 386 T CA 0.400 62.505 62.100 0.009 0.000 0.996 386 T CB 1.437 70.313 68.868 0.012 0.000 0.927 386 T HN 0.735 nan 8.240 nan 0.000 0.456 387 T N 2.708 117.271 114.554 0.016 0.000 2.863 387 T HA 0.572 4.922 4.350 0.000 0.000 0.285 387 T C -0.590 174.132 174.700 0.037 0.000 1.009 387 T CA -0.546 61.566 62.100 0.021 0.000 0.989 387 T CB 1.335 70.211 68.868 0.014 0.000 1.004 387 T HN 0.326 nan 8.240 nan 0.000 0.455 388 V N 3.578 123.516 119.914 0.040 0.000 2.380 388 V HA 0.355 4.475 4.120 0.000 0.000 0.286 388 V C -0.255 175.873 176.094 0.055 0.000 1.015 388 V CA -0.845 61.487 62.300 0.054 0.000 0.834 388 V CB 1.546 33.394 31.823 0.041 0.000 1.009 388 V HN 0.734 nan 8.190 nan 0.000 0.428 389 V N 3.702 123.666 119.914 0.083 0.000 2.385 389 V HA 0.327 4.447 4.120 0.000 0.000 0.269 389 V C 0.095 176.212 176.094 0.038 0.000 1.043 389 V CA -0.227 62.116 62.300 0.072 0.000 0.906 389 V CB 1.358 33.252 31.823 0.118 0.000 0.995 389 V HN 0.883 nan 8.190 nan 0.000 0.467 390 D N 3.256 123.669 120.400 0.020 0.000 2.388 390 D HA 0.400 5.040 4.640 0.000 0.000 0.254 390 D C 0.647 176.942 176.300 -0.010 0.000 1.111 390 D CA -0.447 53.556 54.000 0.004 0.000 0.993 390 D CB 0.617 41.430 40.800 0.021 0.000 1.118 390 D HN 0.467 nan 8.370 nan 0.000 0.502 391 R N 0.755 121.253 120.500 -0.002 0.000 3.251 391 R HA -0.164 4.176 4.340 0.000 0.000 0.249 391 R C 1.068 177.255 176.300 -0.188 0.000 0.949 391 R CA 0.606 56.692 56.100 -0.024 0.000 0.645 391 R CB -1.873 28.438 30.300 0.017 0.000 1.065 391 R HN 0.542 nan 8.270 nan 0.000 0.452 392 I N -2.339 118.128 120.570 -0.172 0.000 3.334 392 I HA -0.168 4.002 4.170 0.000 0.000 0.282 392 I C 1.932 177.934 176.117 -0.191 0.000 1.313 392 I CA 0.604 61.775 61.300 -0.214 0.000 1.396 392 I CB -0.458 37.263 38.000 -0.466 0.000 1.054 392 I HN 0.335 nan 8.210 nan 0.000 0.495 393 Y N 0.392 120.579 120.300 -0.188 0.000 2.384 393 Y HA -0.187 4.363 4.550 0.000 0.000 0.289 393 Y C 2.336 178.144 175.900 -0.152 0.000 1.152 393 Y CA 1.112 59.098 58.100 -0.189 0.000 1.258 393 Y CB -1.493 36.826 38.460 -0.235 0.000 0.979 393 Y HN 0.182 nan 8.280 nan 0.000 0.549 394 H N 0.636 119.411 119.070 -0.491 0.000 2.387 394 H HA -0.084 4.472 4.556 0.000 0.000 0.299 394 H C 2.199 177.500 175.328 -0.045 0.000 1.090 394 H CA 1.944 57.824 56.048 -0.281 0.000 1.332 394 H CB -0.057 29.492 29.762 -0.355 0.000 1.386 394 H HN 0.487 nan 8.280 nan 0.000 0.516 395 I N 0.584 121.203 120.570 0.082 0.000 2.333 395 I HA -0.182 3.988 4.170 0.000 0.000 0.246 395 I C 1.936 178.181 176.117 0.213 0.000 1.106 395 I CA 0.810 62.201 61.300 0.152 0.000 1.411 395 I CB -0.107 37.940 38.000 0.077 0.000 1.082 395 I HN 0.008 nan 8.210 nan 0.000 0.420 396 D N 0.813 121.297 120.400 0.140 0.000 2.221 396 D HA -0.201 4.439 4.640 0.000 0.000 0.204 396 D C 2.176 178.561 176.300 0.143 0.000 0.982 396 D CA 0.878 54.965 54.000 0.145 0.000 0.857 396 D CB -0.327 40.530 40.800 0.095 0.000 0.934 396 D HN 0.192 nan 8.370 nan 0.000 0.475 397 R N 0.679 121.262 120.500 0.138 0.000 2.193 397 R HA -0.004 4.336 4.340 0.000 0.000 0.213 397 R C 1.650 178.012 176.300 0.103 0.000 1.055 397 R CA 1.084 57.253 56.100 0.115 0.000 0.995 397 R CB -0.060 30.313 30.300 0.122 0.000 0.893 397 R HN 0.231 nan 8.270 nan 0.000 0.459 398 G N -1.297 107.588 108.800 0.142 0.000 2.781 398 G HA2 0.063 4.023 3.960 0.000 0.000 0.208 398 G HA3 0.063 4.023 3.960 0.000 0.000 0.208 398 G C -0.377 174.499 174.900 -0.040 0.000 1.099 398 G CA -0.135 44.995 45.100 0.051 0.000 0.776 398 G HN 0.139 nan 8.290 nan 0.000 0.532 399 Y N 0.365 120.700 120.300 0.059 0.000 2.393 399 Y HA 0.492 5.042 4.550 0.000 0.000 0.341 399 Y C -0.111 175.844 175.900 0.092 0.000 0.988 399 Y CA -1.431 56.714 58.100 0.076 0.000 1.078 399 Y CB 1.913 40.419 38.460 0.076 0.000 1.203 399 Y HN -0.019 nan 8.280 nan 0.000 0.453 400 E N 4.007 124.347 120.200 0.233 0.000 2.052 400 E HA 0.262 4.612 4.350 0.000 0.000 0.283 400 E C -0.512 176.198 176.600 0.183 0.000 1.071 400 E CA -0.350 56.149 56.400 0.165 0.000 0.851 400 E CB 0.153 29.918 29.700 0.107 0.000 1.066 400 E HN 0.604 nan 8.360 nan 0.000 0.396 401 R N 3.658 124.259 120.500 0.169 0.000 3.059 401 R HA -0.224 4.116 4.340 0.000 0.000 0.251 401 R C 0.877 177.279 176.300 0.169 0.000 0.886 401 R CA 0.297 56.489 56.100 0.153 0.000 0.634 401 R CB -1.557 28.806 30.300 0.104 0.000 1.282 401 R HN 0.773 nan 8.270 nan 0.000 0.487 402 I N 1.103 121.789 120.570 0.193 0.000 2.315 402 I HA -0.262 3.908 4.170 0.000 0.000 0.248 402 I C 2.301 178.440 176.117 0.038 0.000 1.117 402 I CA 1.830 63.224 61.300 0.156 0.000 1.404 402 I CB 0.068 38.077 38.000 0.016 0.000 1.071 402 I HN 0.505 nan 8.210 nan 0.000 0.419 403 E N 0.029 120.199 120.200 -0.051 0.000 2.110 403 E HA -0.261 4.089 4.350 0.000 0.000 0.193 403 E C 1.367 177.932 176.600 -0.058 0.000 0.988 403 E CA 1.456 57.747 56.400 -0.181 0.000 0.804 403 E CB -0.446 29.148 29.700 -0.177 0.000 0.745 403 E HN 0.462 nan 8.360 nan 0.000 0.458 404 D N 1.440 121.845 120.400 0.009 0.000 2.144 404 D HA -0.088 4.552 4.640 0.000 0.000 0.200 404 D C 1.769 178.061 176.300 -0.013 0.000 0.978 404 D CA 1.086 55.089 54.000 0.005 0.000 0.833 404 D CB -0.068 40.747 40.800 0.024 0.000 0.961 404 D HN 0.233 nan 8.370 nan 0.000 0.470 405 K N 0.164 120.566 120.400 0.003 0.000 2.062 405 K HA 0.032 4.352 4.320 0.000 0.000 0.205 405 K C 2.308 178.881 176.600 -0.044 0.000 1.051 405 K CA 0.415 56.661 56.287 -0.068 0.000 0.941 405 K CB -0.028 32.409 32.500 -0.106 0.000 0.719 405 K HN 0.130 nan 8.250 nan 0.000 0.440 406 L N 0.586 121.844 121.223 0.059 0.000 2.056 406 L HA -0.137 4.203 4.340 0.000 0.000 0.207 406 L C 2.735 179.595 176.870 -0.017 0.000 1.078 406 L CA 1.063 55.938 54.840 0.057 0.000 0.749 406 L CB -0.341 41.718 42.059 0.000 0.000 0.901 406 L HN 0.184 nan 8.230 nan 0.000 0.433 407 R N 0.449 120.925 120.500 -0.040 0.000 2.081 407 R HA -0.171 4.169 4.340 0.000 0.000 0.235 407 R C 2.224 178.503 176.300 -0.035 0.000 1.131 407 R CA 1.428 57.504 56.100 -0.041 0.000 0.960 407 R CB -0.220 30.058 30.300 -0.038 0.000 0.856 407 R HN 0.333 nan 8.270 nan 0.000 0.436 408 A N 0.370 123.165 122.820 -0.042 0.000 2.125 408 A HA -0.047 4.273 4.320 0.000 0.000 0.219 408 A C 1.781 179.334 177.584 -0.051 0.000 1.156 408 A CA 0.869 52.876 52.037 -0.050 0.000 0.671 408 A CB -0.169 18.791 19.000 -0.066 0.000 0.794 408 A HN 0.355 nan 8.150 nan 0.000 0.459 409 L N -1.958 119.238 121.223 -0.044 0.000 2.607 409 L HA 0.293 4.633 4.340 0.000 0.000 0.228 409 L C 1.558 178.415 176.870 -0.020 0.000 1.123 409 L CA 0.553 55.373 54.840 -0.033 0.000 0.890 409 L CB 0.234 42.285 42.059 -0.014 0.000 1.103 409 L HN 0.529 nan 8.230 nan 0.000 0.468 410 G N -0.261 108.525 108.800 -0.023 0.000 2.211 410 G HA2 -0.203 3.757 3.960 0.000 0.000 0.201 410 G HA3 -0.203 3.757 3.960 0.000 0.000 0.201 410 G C 0.423 175.310 174.900 -0.022 0.000 0.997 410 G CA -0.177 44.910 45.100 -0.021 0.000 0.652 410 G HN 0.392 nan 8.290 nan 0.000 0.500 411 A N 0.230 123.034 122.820 -0.027 0.000 2.445 411 A HA 0.534 4.854 4.320 0.000 0.000 0.242 411 A C 0.498 178.057 177.584 -0.041 0.000 1.075 411 A CA 0.448 52.462 52.037 -0.038 0.000 0.777 411 A CB 0.290 19.257 19.000 -0.054 0.000 1.013 411 A HN 0.559 nan 8.150 nan 0.000 0.493 412 N N 1.754 120.431 118.700 -0.038 0.000 2.527 412 N HA 0.424 5.164 4.740 0.000 0.000 0.236 412 N C -1.331 174.154 175.510 -0.042 0.000 0.999 412 N CA -0.036 52.995 53.050 -0.030 0.000 0.935 412 N CB 0.489 38.965 38.487 -0.019 0.000 1.132 412 N HN 0.665 nan 8.380 nan 0.000 0.511 413 I N 1.089 121.627 120.570 -0.053 0.000 2.722 413 I HA 0.415 4.585 4.170 0.000 0.000 0.295 413 I C -1.443 174.659 176.117 -0.023 0.000 1.161 413 I CA -0.590 60.664 61.300 -0.076 0.000 1.032 413 I CB 2.206 40.082 38.000 -0.206 0.000 1.244 413 I HN 0.359 nan 8.210 nan 0.000 0.421 414 E N 6.728 126.956 120.200 0.047 0.000 2.304 414 E HA 0.302 4.652 4.350 0.000 0.000 0.277 414 E C -1.519 175.225 176.600 0.240 0.000 0.898 414 E CA -0.845 55.620 56.400 0.109 0.000 0.764 414 E CB 2.343 32.086 29.700 0.072 0.000 1.216 414 E HN 0.627 nan 8.360 nan 0.000 0.419 415 R N 2.810 123.476 120.500 0.276 0.000 2.410 415 R HA 0.444 4.784 4.340 0.000 0.000 0.288 415 R C -0.518 175.842 176.300 0.100 0.000 1.051 415 R CA -0.313 55.942 56.100 0.258 0.000 1.021 415 R CB 0.924 31.356 30.300 0.220 0.000 1.032 415 R HN 0.308 nan 8.270 nan 0.000 0.481 416 V N 0.935 120.873 119.914 0.039 0.000 2.962 416 V HA 0.589 4.709 4.120 0.000 0.000 0.313 416 V C -0.875 175.212 176.094 -0.011 0.000 1.099 416 V CA -1.158 61.154 62.300 0.020 0.000 0.971 416 V CB 2.133 33.974 31.823 0.030 0.000 1.028 416 V HN 0.707 nan 8.190 nan 0.000 0.430 417 K N 1.415 121.812 120.400 -0.005 0.000 2.762 417 K HA 0.650 4.970 4.320 0.000 0.000 0.292 417 K C 0.746 177.341 176.600 -0.008 0.000 1.008 417 K CA -0.049 56.230 56.287 -0.013 0.000 1.142 417 K CB -0.013 32.481 32.500 -0.010 0.000 1.490 417 K HN 2.214 nan 8.250 nan 0.000 0.581 418 G N 2.977 111.771 108.800 -0.009 0.000 2.392 418 G HA2 -0.271 3.689 3.960 0.000 0.000 0.256 418 G HA3 -0.271 3.689 3.960 0.000 0.000 0.256 418 G C 0.148 175.046 174.900 -0.002 0.000 0.920 418 G CA 1.019 46.116 45.100 -0.005 0.000 1.316 418 G HN 0.697 nan 8.290 nan 0.000 0.416 419 E N 0.000 120.198 120.200 -0.003 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.402 56.400 0.003 0.000 0.976 419 E CB 0.000 29.703 29.700 0.006 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440