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 2pu8_1_B DATA FIRST_RESID 7 DATA SEQUENCE PLYETLNESS AVALAVKLGL XXXXXXXTCQ EIGXXXLNYV FHIXXXXXXR DATA SEQUENCE ALIIKQAVPX XXXXXXXXPL TIDRARIESS ALIRQGEHVP HLVPRVFYSD DATA SEQUENCE TEMAVTVMED LSHLKIARKG LIEGENYPHL SQHIGEFLGK TLFYSSDYAL DATA SEQUENCE EPKVKKQLVK QFTNPELCDI TERLVFTDPF FDHDTNDFEE ELRPFVEKLW DATA SEQUENCE NNDSVKIEAA KLKKSFLTSA ETLIHGDLHT GSIFASEHET KVIDPEFAFY DATA SEQUENCE GPIGFDVGQF IANLFLNALS RDGADREPLY EHVNQVWETF EETFSEAWQK DATA SEQUENCE DSLDVYANID GYLTDTLSHI FEEAIGFAGC ELIRRTIGLA HVADLDTIVP DATA SEQUENCE FDKRIGRKRL ALETGTAFIE KRSEFKTITD VIELFKLLVK 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.346 177.300 0.076 0.000 1.155 7 P CA 0.000 63.137 63.100 0.062 0.000 0.800 7 P CB 0.000 31.742 31.700 0.071 0.000 0.726 8 L N 0.377 121.653 121.223 0.088 0.000 2.395 8 L HA 0.186 4.526 4.340 -0.001 0.000 0.218 8 L C 0.987 177.920 176.870 0.106 0.000 1.130 8 L CA 0.955 55.845 54.840 0.083 0.000 0.826 8 L CB -1.444 40.662 42.059 0.078 0.000 0.941 8 L HN 0.634 nan 8.230 nan 0.000 0.451 9 Y N 1.951 122.270 120.300 0.032 0.000 2.496 9 Y HA 0.442 4.991 4.550 -0.001 0.000 0.334 9 Y C 0.470 176.398 175.900 0.046 0.000 1.080 9 Y CA 0.422 58.547 58.100 0.041 0.000 1.355 9 Y CB -0.144 38.338 38.460 0.037 0.000 1.193 9 Y HN 0.483 nan 8.280 nan 0.000 0.523 10 E N 3.600 123.477 120.200 -0.539 0.000 2.256 10 E HA 0.369 4.718 4.350 -0.001 0.000 0.268 10 E C -0.684 175.553 176.600 -0.605 0.000 0.877 10 E CA -0.754 55.401 56.400 -0.408 0.000 0.757 10 E CB 1.425 31.021 29.700 -0.174 0.000 1.183 10 E HN 0.584 nan 8.360 nan 0.000 0.418 11 T N 2.648 116.995 114.554 -0.345 0.000 2.888 11 T HA 0.428 4.778 4.350 -0.001 0.000 0.301 11 T C 0.314 175.016 174.700 0.004 0.000 1.001 11 T CA -0.070 61.987 62.100 -0.073 0.000 1.147 11 T CB -0.579 68.419 68.868 0.216 0.000 0.931 11 T HN 0.444 nan 8.240 nan 0.000 0.541 12 L N 5.033 126.307 121.223 0.084 0.000 2.456 12 L HA 0.461 4.800 4.340 -0.001 0.000 0.257 12 L C 0.675 177.518 176.870 -0.044 0.000 1.162 12 L CA -0.803 54.014 54.840 -0.037 0.000 0.808 12 L CB 0.734 42.726 42.059 -0.112 0.000 1.136 12 L HN 0.803 nan 8.230 nan 0.000 0.466 13 N N -1.405 117.152 118.700 -0.239 0.000 2.761 13 N HA 0.249 4.989 4.740 -0.001 0.000 0.283 13 N C 0.000 175.238 175.510 -0.453 0.000 1.377 13 N CA -0.867 52.078 53.050 -0.175 0.000 0.791 13 N CB 0.725 39.160 38.487 -0.087 0.000 1.540 13 N HN 0.364 nan 8.380 nan 0.000 0.539 14 E N -0.521 119.605 120.200 -0.122 0.000 2.130 14 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 14 E C 1.260 177.737 176.600 -0.205 0.000 0.998 14 E CA 1.739 58.067 56.400 -0.119 0.000 0.806 14 E CB -0.121 29.617 29.700 0.064 0.000 0.738 14 E HN 0.561 nan 8.360 nan 0.000 0.459 15 S N -0.497 115.105 115.700 -0.164 0.000 2.362 15 S HA -0.111 4.358 4.470 -0.001 0.000 0.221 15 S C 1.997 176.494 174.600 -0.171 0.000 1.032 15 S CA 1.172 59.292 58.200 -0.133 0.000 0.973 15 S CB -0.278 62.871 63.200 -0.085 0.000 0.849 15 S HN 0.394 nan 8.310 nan 0.000 0.465 16 S N 1.573 117.147 115.700 -0.210 0.000 2.423 16 S HA 0.117 4.587 4.470 -0.001 0.000 0.231 16 S C 2.021 176.463 174.600 -0.264 0.000 1.014 16 S CA 0.942 59.019 58.200 -0.206 0.000 0.965 16 S CB -0.722 62.371 63.200 -0.179 0.000 0.785 16 S HN 0.629 nan 8.310 nan 0.000 0.495 17 A N 1.589 124.148 122.820 -0.434 0.000 1.898 17 A HA 0.087 4.407 4.320 -0.001 0.000 0.216 17 A C 2.401 179.847 177.584 -0.230 0.000 1.181 17 A CA 1.562 53.331 52.037 -0.448 0.000 0.620 17 A CB -1.082 17.387 19.000 -0.885 0.000 0.819 17 A HN 0.430 nan 8.150 nan 0.000 0.442 18 V N -0.165 119.635 119.914 -0.191 0.000 2.427 18 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 18 V C 3.045 179.075 176.094 -0.106 0.000 1.051 18 V CA 1.778 64.008 62.300 -0.116 0.000 1.048 18 V CB -1.079 30.691 31.823 -0.088 0.000 0.666 18 V HN 0.615 nan 8.190 nan 0.000 0.456 19 A N -0.083 122.668 122.820 -0.115 0.000 1.908 19 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 19 A C 2.161 179.684 177.584 -0.103 0.000 1.181 19 A CA 2.218 54.196 52.037 -0.099 0.000 0.627 19 A CB -0.575 18.368 19.000 -0.096 0.000 0.818 19 A HN 0.472 nan 8.150 nan 0.000 0.445 20 L N -0.306 120.848 121.223 -0.115 0.000 2.056 20 L HA 0.005 4.344 4.340 -0.001 0.000 0.207 20 L C 2.630 179.426 176.870 -0.125 0.000 1.078 20 L CA 2.180 56.950 54.840 -0.116 0.000 0.749 20 L CB -0.858 41.144 42.059 -0.096 0.000 0.901 20 L HN 0.328 nan 8.230 nan 0.000 0.433 21 A N -0.941 121.818 122.820 -0.102 0.000 1.917 21 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 21 A C 2.266 179.786 177.584 -0.106 0.000 1.182 21 A CA 2.245 54.226 52.037 -0.093 0.000 0.633 21 A CB -1.157 17.798 19.000 -0.075 0.000 0.819 21 A HN 0.339 nan 8.150 nan 0.000 0.448 22 V N -0.006 119.849 119.914 -0.098 0.000 2.379 22 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 22 V C 3.118 179.154 176.094 -0.097 0.000 1.044 22 V CA 2.394 64.640 62.300 -0.090 0.000 1.036 22 V CB -0.996 30.782 31.823 -0.075 0.000 0.664 22 V HN 0.702 nan 8.190 nan 0.000 0.453 23 K N -0.149 120.186 120.400 -0.107 0.000 2.360 23 K HA 0.006 4.325 4.320 -0.001 0.000 0.201 23 K C 1.728 178.241 176.600 -0.144 0.000 1.046 23 K CA 1.446 57.666 56.287 -0.113 0.000 0.945 23 K CB -0.693 31.741 32.500 -0.111 0.000 0.750 23 K HN 0.581 nan 8.250 nan 0.000 0.464 24 L N -1.319 119.799 121.223 -0.175 0.000 2.585 24 L HA 0.264 4.603 4.340 -0.001 0.000 0.226 24 L C 1.643 178.434 176.870 -0.131 0.000 1.113 24 L CA 0.456 55.174 54.840 -0.205 0.000 0.876 24 L CB 0.387 42.272 42.059 -0.291 0.000 1.072 24 L HN 0.523 nan 8.230 nan 0.000 0.468 25 G N 0.626 109.360 108.800 -0.110 0.000 2.143 25 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.248 25 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.248 25 G C 0.176 175.015 174.900 -0.101 0.000 0.991 25 G CA 0.081 45.127 45.100 -0.089 0.000 0.689 25 G HN 0.208 nan 8.290 nan 0.000 0.522 35 C N 2.556 121.905 119.300 0.081 0.000 2.481 35 C HA 1.039 5.499 4.460 -0.001 0.000 0.324 35 C C -0.279 174.806 174.990 0.159 0.000 1.170 35 C CA 0.794 59.887 59.018 0.126 0.000 1.361 35 C CB 0.370 28.160 27.740 0.083 0.000 1.977 35 C HN 1.500 nan 8.230 nan 0.000 0.459 36 Q N 3.545 123.469 119.800 0.206 0.000 2.323 36 Q HA 0.607 4.946 4.340 -0.001 0.000 0.271 36 Q C -0.575 175.520 176.000 0.158 0.000 1.048 36 Q CA -0.392 55.508 55.803 0.162 0.000 0.792 36 Q CB 1.631 30.433 28.738 0.108 0.000 1.280 36 Q HN 0.861 nan 8.270 nan 0.000 0.441 37 E N 1.990 122.239 120.200 0.081 0.000 2.299 37 E HA 0.257 4.607 4.350 -0.001 0.000 0.272 37 E C 0.040 176.606 176.600 -0.055 0.000 1.043 37 E CA 0.027 56.348 56.400 -0.131 0.000 0.895 37 E CB 0.452 29.995 29.700 -0.262 0.000 1.011 37 E HN 0.789 nan 8.360 nan 0.000 0.432 38 I N 1.626 122.168 120.570 -0.047 0.000 3.966 38 I HA 0.399 4.569 4.170 -0.001 0.000 0.324 38 I C 0.877 177.009 176.117 0.025 0.000 1.517 38 I CA -0.803 60.505 61.300 0.012 0.000 1.117 38 I CB 0.585 38.612 38.000 0.044 0.000 1.190 38 I HN 0.335 nan 8.210 nan 0.000 0.466 44 N N -0.052 118.576 118.700 -0.119 0.000 2.258 44 N HA 0.437 5.177 4.740 -0.001 0.000 0.299 44 N C -1.420 174.030 175.510 -0.101 0.000 1.047 44 N CA -0.318 52.672 53.050 -0.100 0.000 0.814 44 N CB 1.881 40.370 38.487 0.003 0.000 1.413 44 N HN -0.017 nan 8.380 nan 0.000 0.478 45 Y N 0.343 120.632 120.300 -0.018 0.000 2.308 45 Y HA 0.363 4.912 4.550 -0.001 0.000 0.329 45 Y C 0.376 176.155 175.900 -0.203 0.000 1.111 45 Y CA -0.734 57.255 58.100 -0.185 0.000 1.179 45 Y CB 1.311 39.640 38.460 -0.218 0.000 1.201 45 Y HN 0.069 nan 8.280 nan 0.000 0.483 46 V N 4.975 124.803 119.914 -0.143 0.000 2.409 46 V HA 0.254 4.373 4.120 -0.001 0.000 0.290 46 V C -0.927 175.042 176.094 -0.207 0.000 1.017 46 V CA -0.997 61.263 62.300 -0.067 0.000 0.841 46 V CB 0.659 32.511 31.823 0.049 0.000 1.003 46 V HN 0.500 nan 8.190 nan 0.000 0.426 47 F N 3.711 123.745 119.950 0.141 0.000 2.361 47 F HA 0.405 4.932 4.527 -0.000 0.000 0.364 47 F C 0.647 176.520 175.800 0.122 0.000 1.120 47 F CA -0.379 57.685 58.000 0.108 0.000 1.102 47 F CB 0.634 39.671 39.000 0.061 0.000 1.183 47 F HN 0.505 nan 8.300 nan 0.000 0.476 48 H N 5.477 124.663 119.070 0.193 0.000 2.668 48 H HA 0.484 5.040 4.556 -0.001 0.000 0.303 48 H C -0.440 174.967 175.328 0.133 0.000 1.074 48 H CA 0.101 56.233 56.048 0.140 0.000 1.406 48 H CB 0.630 30.449 29.762 0.095 0.000 1.442 48 H HN 0.615 nan 8.280 nan 0.000 0.482 57 A N 0.298 123.095 122.820 -0.039 0.000 2.602 57 A HA 1.000 5.319 4.320 -0.001 0.000 0.290 57 A C -1.796 175.733 177.584 -0.092 0.000 1.114 57 A CA -0.479 51.500 52.037 -0.096 0.000 0.683 57 A CB 1.906 20.880 19.000 -0.043 0.000 1.281 57 A HN 1.995 nan 8.150 nan 0.000 0.416 58 L N -0.041 121.075 121.223 -0.178 0.000 2.582 58 L HA 0.660 4.999 4.340 -0.001 0.000 0.257 58 L C -1.915 174.926 176.870 -0.048 0.000 0.974 58 L CA -0.247 54.572 54.840 -0.035 0.000 0.851 58 L CB 2.051 44.090 42.059 -0.033 0.000 1.424 58 L HN 0.628 nan 8.230 nan 0.000 0.412 59 I N 4.238 124.870 120.570 0.102 0.000 2.436 59 I HA 0.456 4.625 4.170 -0.001 0.000 0.289 59 I C -0.613 175.616 176.117 0.187 0.000 1.010 59 I CA -0.314 61.070 61.300 0.140 0.000 1.098 59 I CB 1.783 39.873 38.000 0.150 0.000 1.266 59 I HN 0.463 nan 8.210 nan 0.000 0.434 60 I N 6.117 126.826 120.570 0.231 0.000 2.354 60 I HA 0.305 4.475 4.170 -0.001 0.000 0.286 60 I C 0.177 176.490 176.117 0.327 0.000 1.007 60 I CA -0.640 60.823 61.300 0.271 0.000 1.167 60 I CB 1.358 39.508 38.000 0.250 0.000 1.320 60 I HN 0.422 nan 8.210 nan 0.000 0.458 61 K N 6.451 127.001 120.400 0.249 0.000 2.156 61 K HA 0.433 4.753 4.320 -0.001 0.000 0.271 61 K C -0.834 175.912 176.600 0.243 0.000 0.995 61 K CA -0.445 55.974 56.287 0.219 0.000 0.890 61 K CB 1.424 34.019 32.500 0.158 0.000 1.073 61 K HN 0.567 nan 8.250 nan 0.000 0.454 62 Q N 2.543 122.500 119.800 0.262 0.000 2.305 62 Q HA 0.447 4.786 4.340 -0.001 0.000 0.271 62 Q C -1.619 174.490 176.000 0.182 0.000 1.046 62 Q CA -0.793 55.173 55.803 0.271 0.000 0.798 62 Q CB 2.013 30.985 28.738 0.390 0.000 1.286 62 Q HN 0.788 nan 8.270 nan 0.000 0.435 63 A N 2.413 125.325 122.820 0.154 0.000 2.401 63 A HA 0.643 4.963 4.320 -0.001 0.000 0.259 63 A C -0.300 177.330 177.584 0.076 0.000 1.103 63 A CA 0.068 52.142 52.037 0.062 0.000 0.789 63 A CB 0.248 19.264 19.000 0.026 0.000 1.035 63 A HN 0.677 nan 8.150 nan 0.000 0.491 64 V N 3.014 122.893 119.914 -0.060 0.000 2.483 64 V HA 0.720 4.840 4.120 -0.001 0.000 0.295 64 V C -2.127 173.920 176.094 -0.078 0.000 1.035 64 V CA -2.182 60.080 62.300 -0.063 0.000 0.896 64 V CB 1.167 32.820 31.823 -0.283 0.000 0.986 64 V HN 0.789 nan 8.190 nan 0.000 0.447 76 L N 0.950 122.143 121.223 -0.050 0.000 2.436 76 L HA 0.528 4.868 4.340 -0.001 0.000 0.268 76 L C 0.326 177.145 176.870 -0.084 0.000 0.974 76 L CA -0.685 54.115 54.840 -0.067 0.000 0.826 76 L CB 2.555 44.570 42.059 -0.072 0.000 1.291 76 L HN 0.569 nan 8.230 nan 0.000 0.406 77 T N 2.487 116.988 114.554 -0.089 0.000 2.939 77 T HA 0.069 4.419 4.350 -0.001 0.000 0.319 77 T C 1.349 175.982 174.700 -0.113 0.000 1.082 77 T CA 0.063 62.103 62.100 -0.101 0.000 1.133 77 T CB 0.247 69.061 68.868 -0.089 0.000 1.019 77 T HN 0.532 nan 8.240 nan 0.000 0.548 78 I N 1.223 121.710 120.570 -0.140 0.000 3.444 78 I HA 0.189 4.359 4.170 -0.001 0.000 0.287 78 I C 1.733 177.799 176.117 -0.085 0.000 1.302 78 I CA 0.694 61.914 61.300 -0.133 0.000 1.368 78 I CB -0.359 37.497 38.000 -0.240 0.000 1.048 78 I HN 0.560 nan 8.210 nan 0.000 0.487 79 D N 2.563 122.912 120.400 -0.084 0.000 2.263 79 D HA -0.225 4.415 4.640 -0.001 0.000 0.208 79 D C 2.410 178.680 176.300 -0.051 0.000 0.971 79 D CA 1.194 55.156 54.000 -0.063 0.000 0.867 79 D CB -0.007 40.754 40.800 -0.065 0.000 0.929 79 D HN 0.496 nan 8.370 nan 0.000 0.492 80 R N 0.247 120.707 120.500 -0.066 0.000 2.170 80 R HA -0.144 4.196 4.340 -0.001 0.000 0.242 80 R C 2.073 178.359 176.300 -0.022 0.000 1.145 80 R CA 1.427 57.488 56.100 -0.064 0.000 0.984 80 R CB -0.662 29.567 30.300 -0.117 0.000 0.869 80 R HN 0.145 nan 8.270 nan 0.000 0.455 81 A N 1.856 124.669 122.820 -0.010 0.000 1.930 81 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 81 A C 2.321 179.914 177.584 0.015 0.000 1.175 81 A CA 1.279 53.327 52.037 0.019 0.000 0.627 81 A CB -0.581 18.444 19.000 0.042 0.000 0.815 81 A HN 0.441 nan 8.150 nan 0.000 0.443 82 R N -0.221 120.277 120.500 -0.004 0.000 2.073 82 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 82 R C 1.888 178.192 176.300 0.006 0.000 1.134 82 R CA 1.749 57.837 56.100 -0.019 0.000 0.952 82 R CB -0.349 29.922 30.300 -0.047 0.000 0.850 82 R HN 0.430 nan 8.270 nan 0.000 0.433 83 I N 1.542 122.128 120.570 0.028 0.000 2.118 83 I HA -0.301 3.869 4.170 -0.001 0.000 0.241 83 I C 2.502 178.724 176.117 0.174 0.000 1.070 83 I CA 1.770 63.148 61.300 0.129 0.000 1.327 83 I CB -1.428 36.649 38.000 0.129 0.000 1.034 83 I HN 0.434 nan 8.210 nan 0.000 0.405 84 E N 0.645 120.901 120.200 0.095 0.000 2.058 84 E HA -0.257 4.093 4.350 -0.001 0.000 0.194 84 E C 2.401 179.054 176.600 0.089 0.000 0.997 84 E CA 2.040 58.489 56.400 0.081 0.000 0.801 84 E CB -0.030 29.702 29.700 0.054 0.000 0.746 84 E HN 0.334 nan 8.360 nan 0.000 0.450 85 S N -0.460 115.282 115.700 0.070 0.000 2.356 85 S HA -0.135 4.334 4.470 -0.001 0.000 0.223 85 S C 2.162 176.813 174.600 0.085 0.000 1.032 85 S CA 1.657 59.888 58.200 0.051 0.000 1.005 85 S CB -0.339 62.867 63.200 0.011 0.000 0.867 85 S HN 0.330 nan 8.310 nan 0.000 0.449 86 S N 1.428 117.205 115.700 0.129 0.000 2.368 86 S HA 0.001 4.471 4.470 -0.001 0.000 0.225 86 S C 2.213 177.022 174.600 0.347 0.000 1.030 86 S CA 1.128 59.462 58.200 0.223 0.000 0.999 86 S CB -0.718 62.584 63.200 0.170 0.000 0.844 86 S HN 0.715 nan 8.310 nan 0.000 0.459 87 A N 1.420 124.447 122.820 0.344 0.000 1.898 87 A HA 0.026 4.346 4.320 -0.001 0.000 0.216 87 A C 2.117 179.754 177.584 0.088 0.000 1.181 87 A CA 1.054 53.172 52.037 0.135 0.000 0.620 87 A CB -0.740 18.301 19.000 0.068 0.000 0.819 87 A HN 0.439 nan 8.150 nan 0.000 0.442 88 L N -0.522 120.759 121.223 0.097 0.000 2.042 88 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 88 L C 2.501 179.404 176.870 0.054 0.000 1.076 88 L CA 1.383 56.270 54.840 0.079 0.000 0.749 88 L CB -0.504 41.588 42.059 0.054 0.000 0.893 88 L HN 0.409 nan 8.230 nan 0.000 0.432 89 I N -0.883 119.720 120.570 0.055 0.000 2.202 89 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 89 I C 2.794 178.927 176.117 0.027 0.000 1.091 89 I CA 1.169 62.489 61.300 0.033 0.000 1.368 89 I CB -0.326 37.698 38.000 0.040 0.000 1.058 89 I HN 0.201 nan 8.210 nan 0.000 0.410 90 R N 0.476 121.014 120.500 0.063 0.000 2.073 90 R HA -0.197 4.143 4.340 -0.001 0.000 0.234 90 R C 2.354 178.666 176.300 0.020 0.000 1.134 90 R CA 1.542 57.667 56.100 0.042 0.000 0.952 90 R CB -0.317 30.016 30.300 0.055 0.000 0.850 90 R HN 0.472 nan 8.270 nan 0.000 0.433 91 Q N -0.817 119.002 119.800 0.033 0.000 2.096 91 Q HA -0.132 4.208 4.340 -0.001 0.000 0.204 91 Q C 2.096 178.111 176.000 0.025 0.000 0.982 91 Q CA 1.572 57.400 55.803 0.041 0.000 0.850 91 Q CB -0.288 28.520 28.738 0.118 0.000 0.901 91 Q HN 0.472 nan 8.270 nan 0.000 0.422 92 G N 0.649 109.452 108.800 0.006 0.000 2.498 92 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 92 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 92 G C 1.115 175.962 174.900 -0.088 0.000 1.119 92 G CA 0.419 45.507 45.100 -0.019 0.000 0.766 92 G HN 0.212 nan 8.290 nan 0.000 0.552 93 E N 0.323 120.397 120.200 -0.209 0.000 2.208 93 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 93 E C 1.774 178.069 176.600 -0.508 0.000 0.988 93 E CA 0.791 56.953 56.400 -0.395 0.000 0.828 93 E CB -0.095 29.259 29.700 -0.576 0.000 0.763 93 E HN 0.595 nan 8.360 nan 0.000 0.478 94 H N -0.620 118.402 119.070 -0.079 0.000 2.545 94 H HA 0.126 4.682 4.556 -0.001 0.000 0.283 94 H C 1.203 176.518 175.328 -0.023 0.000 0.997 94 H CA 0.791 56.766 56.048 -0.122 0.000 1.269 94 H CB 0.909 30.564 29.762 -0.179 0.000 1.451 94 H HN -0.032 nan 8.280 nan 0.000 0.508 95 V N 0.641 120.615 119.914 0.100 0.000 2.454 95 V HA 0.261 4.381 4.120 -0.001 0.000 0.255 95 V C -2.122 174.014 176.094 0.070 0.000 1.009 95 V CA -1.443 60.916 62.300 0.098 0.000 1.149 95 V CB 1.458 33.284 31.823 0.005 0.000 1.418 95 V HN -0.034 nan 8.190 nan 0.000 0.567 96 P HA -0.172 nan 4.420 nan 0.000 0.222 96 P C 1.244 178.607 177.300 0.105 0.000 1.147 96 P CA 1.766 64.920 63.100 0.091 0.000 0.790 96 P CB -0.102 31.643 31.700 0.074 0.000 0.780 97 H N -1.036 118.033 119.070 -0.000 0.000 2.547 97 H HA 0.175 4.731 4.556 -0.001 0.000 0.266 97 H C 1.267 176.574 175.328 -0.036 0.000 0.988 97 H CA 0.280 56.313 56.048 -0.024 0.000 1.147 97 H CB -0.803 28.931 29.762 -0.047 0.000 1.365 97 H HN 0.200 nan 8.280 nan 0.000 0.589 98 L N 1.119 122.138 121.223 -0.340 0.000 2.906 98 L HA 0.246 4.586 4.340 -0.001 0.000 0.255 98 L C -0.053 176.773 176.870 -0.073 0.000 1.166 98 L CA -0.329 54.356 54.840 -0.257 0.000 0.977 98 L CB 1.126 43.027 42.059 -0.263 0.000 1.313 98 L HN 0.096 nan 8.230 nan 0.000 0.549 99 V N -4.080 115.825 119.914 -0.014 0.000 3.049 99 V HA 0.669 4.788 4.120 -0.001 0.000 0.309 99 V C -2.789 173.307 176.094 0.003 0.000 1.148 99 V CA -2.190 60.127 62.300 0.029 0.000 0.990 99 V CB 1.857 33.748 31.823 0.113 0.000 1.039 99 V HN -0.150 nan 8.190 nan 0.000 0.430 100 P HA 0.283 nan 4.420 nan 0.000 0.271 100 P C -0.605 176.637 177.300 -0.096 0.000 1.218 100 P CA -0.109 62.968 63.100 -0.039 0.000 0.780 100 P CB 0.540 32.224 31.700 -0.026 0.000 0.901 101 R N 1.055 121.448 120.500 -0.178 0.000 2.543 101 R HA 0.344 4.684 4.340 -0.001 0.000 0.277 101 R C -0.320 175.630 176.300 -0.584 0.000 1.074 101 R CA -0.623 55.285 56.100 -0.321 0.000 1.076 101 R CB 0.444 30.549 30.300 -0.325 0.000 0.993 101 R HN 0.292 nan 8.270 nan 0.000 0.459 102 V N 4.682 124.331 119.914 -0.442 0.000 2.394 102 V HA 0.171 4.290 4.120 -0.001 0.000 0.282 102 V C 0.272 176.154 176.094 -0.353 0.000 1.031 102 V CA -0.161 61.921 62.300 -0.364 0.000 0.881 102 V CB 1.168 32.916 31.823 -0.123 0.000 0.982 102 V HN 0.732 nan 8.190 nan 0.000 0.451 103 F N 3.501 123.507 119.950 0.094 0.000 2.582 103 F HA 0.341 4.868 4.527 -0.001 0.000 0.290 103 F C 0.392 176.308 175.800 0.194 0.000 1.115 103 F CA -0.001 58.066 58.000 0.112 0.000 1.445 103 F CB 0.397 39.452 39.000 0.093 0.000 1.126 103 F HN 0.482 nan 8.300 nan 0.000 0.574 104 Y N -0.058 120.340 120.300 0.163 0.000 2.583 104 Y HA 0.438 4.987 4.550 -0.001 0.000 0.330 104 Y C -1.327 174.623 175.900 0.084 0.000 1.185 104 Y CA -1.539 56.629 58.100 0.113 0.000 1.107 104 Y CB 1.057 39.587 38.460 0.117 0.000 1.344 104 Y HN -0.114 nan 8.280 nan 0.000 0.463 105 S N 3.304 118.579 115.700 -0.709 0.000 2.564 105 S HA 0.645 5.115 4.470 -0.001 0.000 0.274 105 S C -2.081 172.056 174.600 -0.772 0.000 1.124 105 S CA -0.824 57.050 58.200 -0.543 0.000 0.869 105 S CB 2.442 65.515 63.200 -0.211 0.000 1.105 105 S HN 0.614 nan 8.310 nan 0.000 0.472 106 D N 0.120 120.304 120.400 -0.359 0.000 2.736 106 D HA 0.471 5.111 4.640 -0.001 0.000 0.243 106 D C 0.669 176.947 176.300 -0.035 0.000 1.304 106 D CA -0.355 53.541 54.000 -0.174 0.000 0.934 106 D CB 1.893 42.699 40.800 0.010 0.000 1.382 106 D HN 0.416 nan 8.370 nan 0.000 0.571 107 T N 1.948 116.483 114.554 -0.032 0.000 2.737 107 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 107 T C 1.893 176.621 174.700 0.046 0.000 1.038 107 T CA 2.087 64.185 62.100 -0.003 0.000 1.144 107 T CB -0.157 68.696 68.868 -0.025 0.000 0.866 107 T HN 0.585 nan 8.240 nan 0.000 0.434 108 E N 1.638 121.877 120.200 0.065 0.000 2.077 108 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 108 E C 1.942 178.687 176.600 0.241 0.000 0.989 108 E CA 1.262 57.731 56.400 0.115 0.000 0.800 108 E CB -0.723 29.034 29.700 0.096 0.000 0.746 108 E HN 0.350 nan 8.360 nan 0.000 0.452 109 M N -1.025 118.703 119.600 0.213 0.000 2.618 109 M HA 0.415 4.894 4.480 -0.001 0.000 0.240 109 M C 1.601 178.110 176.300 0.349 0.000 1.123 109 M CA 0.757 56.208 55.300 0.253 0.000 1.060 109 M CB -0.322 32.352 32.600 0.124 0.000 1.535 109 M HN 0.662 nan 8.290 nan 0.000 0.507 110 A N 0.829 123.805 122.820 0.260 0.000 2.745 110 A HA -0.126 4.193 4.320 -0.001 0.000 0.296 110 A C 0.085 177.779 177.584 0.183 0.000 1.500 110 A CA 0.376 52.529 52.037 0.194 0.000 0.766 110 A CB -2.163 16.958 19.000 0.202 0.000 1.030 110 A HN 0.254 nan 8.150 nan 0.000 0.489 111 V N 0.227 120.230 119.914 0.149 0.000 2.513 111 V HA 0.753 4.873 4.120 -0.001 0.000 0.299 111 V C 0.384 176.543 176.094 0.109 0.000 1.035 111 V CA 0.187 62.584 62.300 0.163 0.000 0.889 111 V CB 2.259 34.204 31.823 0.203 0.000 0.988 111 V HN 0.639 nan 8.190 nan 0.000 0.440 112 T N 3.665 118.299 114.554 0.134 0.000 2.890 112 T HA 0.466 4.816 4.350 -0.001 0.000 0.295 112 T C -0.598 174.201 174.700 0.165 0.000 0.993 112 T CA -0.405 61.759 62.100 0.107 0.000 0.979 112 T CB 1.498 70.409 68.868 0.073 0.000 0.967 112 T HN 0.298 nan 8.240 nan 0.000 0.441 113 V N 6.059 126.100 119.914 0.212 0.000 2.383 113 V HA 0.666 4.785 4.120 -0.001 0.000 0.275 113 V C 0.214 176.437 176.094 0.214 0.000 1.036 113 V CA -0.481 61.980 62.300 0.268 0.000 0.889 113 V CB 0.526 32.569 31.823 0.367 0.000 0.985 113 V HN 0.948 nan 8.190 nan 0.000 0.459 114 M N 1.899 121.610 119.600 0.186 0.000 2.716 114 M HA 0.671 5.150 4.480 -0.001 0.000 0.278 114 M C -0.457 175.915 176.300 0.120 0.000 1.281 114 M CA -0.875 54.407 55.300 -0.030 0.000 0.814 114 M CB 1.977 34.546 32.600 -0.052 0.000 1.719 114 M HN 0.430 nan 8.290 nan 0.000 0.457 115 E N 1.598 121.761 120.200 -0.060 0.000 2.502 115 E HA -0.059 4.291 4.350 -0.001 0.000 0.261 115 E C -1.111 175.558 176.600 0.116 0.000 0.974 115 E CA 0.190 56.675 56.400 0.141 0.000 0.936 115 E CB 0.575 30.287 29.700 0.020 0.000 0.926 115 E HN 0.611 nan 8.360 nan 0.000 0.459 116 D N 4.015 124.504 120.400 0.149 0.000 2.348 116 D HA 0.062 4.702 4.640 -0.001 0.000 0.253 116 D C -0.088 176.251 176.300 0.065 0.000 1.161 116 D CA 0.098 54.166 54.000 0.114 0.000 0.876 116 D CB 0.580 41.475 40.800 0.157 0.000 1.160 116 D HN 0.399 nan 8.370 nan 0.000 0.459 117 L N 3.049 124.171 121.223 -0.168 0.000 3.202 117 L HA 0.170 4.509 4.340 -0.001 0.000 0.278 117 L C 1.730 178.124 176.870 -0.794 0.000 1.268 117 L CA -0.288 54.227 54.840 -0.541 0.000 1.034 117 L CB 0.229 41.817 42.059 -0.785 0.000 1.407 117 L HN 0.291 nan 8.230 nan 0.000 0.581 118 S N 0.045 115.568 115.700 -0.295 0.000 2.402 118 S HA -0.192 4.278 4.470 -0.001 0.000 0.233 118 S C 1.915 176.441 174.600 -0.124 0.000 1.030 118 S CA 1.705 59.809 58.200 -0.160 0.000 1.003 118 S CB -0.355 62.828 63.200 -0.027 0.000 0.813 118 S HN 0.647 nan 8.310 nan 0.000 0.477 119 H N 0.190 119.222 119.070 -0.064 0.000 2.559 119 H HA 0.233 4.788 4.556 -0.001 0.000 0.273 119 H C 0.642 175.982 175.328 0.020 0.000 1.000 119 H CA 0.268 56.312 56.048 -0.006 0.000 1.195 119 H CB -0.427 29.339 29.762 0.006 0.000 1.368 119 H HN 0.324 nan 8.280 nan 0.000 0.592 120 L N 0.667 121.621 121.223 -0.449 0.000 2.376 120 L HA 0.400 4.739 4.340 -0.001 0.000 0.267 120 L C 0.264 177.232 176.870 0.162 0.000 1.035 120 L CA -1.011 53.735 54.840 -0.155 0.000 0.800 120 L CB 1.618 43.521 42.059 -0.260 0.000 1.290 120 L HN -0.029 nan 8.230 nan 0.000 0.462 121 K N 0.985 121.533 120.400 0.247 0.000 2.316 121 K HA 0.411 4.731 4.320 -0.001 0.000 0.251 121 K C -0.733 175.923 176.600 0.094 0.000 0.934 121 K CA -0.846 55.575 56.287 0.224 0.000 0.802 121 K CB 1.408 34.019 32.500 0.183 0.000 1.171 121 K HN 0.329 nan 8.250 nan 0.000 0.426 122 I N 4.037 124.533 120.570 -0.124 0.000 2.821 122 I HA -0.124 4.046 4.170 -0.001 0.000 0.294 122 I C 1.570 177.614 176.117 -0.122 0.000 1.210 122 I CA 0.653 61.752 61.300 -0.334 0.000 1.430 122 I CB 0.261 38.070 38.000 -0.319 0.000 1.356 122 I HN 0.906 nan 8.210 nan 0.000 0.563 123 A N 7.898 130.622 122.820 -0.159 0.000 1.908 123 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 123 A C 2.422 180.052 177.584 0.077 0.000 1.181 123 A CA 1.566 53.576 52.037 -0.045 0.000 0.627 123 A CB -0.400 18.531 19.000 -0.115 0.000 0.818 123 A HN 0.822 nan 8.150 nan 0.000 0.445 124 R N -0.169 120.332 120.500 0.002 0.000 2.083 124 R HA -0.206 4.133 4.340 -0.001 0.000 0.237 124 R C 2.350 178.667 176.300 0.028 0.000 1.137 124 R CA 2.101 58.210 56.100 0.015 0.000 0.951 124 R CB -0.307 30.000 30.300 0.011 0.000 0.851 124 R HN 0.590 nan 8.270 nan 0.000 0.434 125 K N -0.670 119.743 120.400 0.023 0.000 2.032 125 K HA -0.132 4.188 4.320 -0.001 0.000 0.209 125 K C 1.993 178.628 176.600 0.058 0.000 1.048 125 K CA 1.840 58.146 56.287 0.031 0.000 0.927 125 K CB -0.475 32.039 32.500 0.023 0.000 0.712 125 K HN 0.349 nan 8.250 nan 0.000 0.441 126 G N 1.436 110.315 108.800 0.132 0.000 2.446 126 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 126 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 126 G C 1.541 176.443 174.900 0.004 0.000 1.168 126 G CA 0.916 46.106 45.100 0.150 0.000 0.771 126 G HN 0.241 nan 8.290 nan 0.000 0.551 127 L N -0.054 121.210 121.223 0.069 0.000 2.046 127 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 127 L C 2.847 179.688 176.870 -0.048 0.000 1.077 127 L CA 0.771 55.600 54.840 -0.018 0.000 0.747 127 L CB -0.335 41.739 42.059 0.025 0.000 0.896 127 L HN 0.191 nan 8.230 nan 0.000 0.432 128 I N -0.365 120.190 120.570 -0.024 0.000 2.361 128 I HA -0.260 3.910 4.170 -0.001 0.000 0.251 128 I C 2.188 178.285 176.117 -0.034 0.000 1.133 128 I CA 1.270 62.553 61.300 -0.029 0.000 1.413 128 I CB -0.192 37.800 38.000 -0.014 0.000 1.073 128 I HN 0.267 nan 8.210 nan 0.000 0.424 129 E N 0.294 120.474 120.200 -0.033 0.000 2.418 129 E HA -0.009 4.341 4.350 -0.001 0.000 0.197 129 E C 1.483 178.044 176.600 -0.065 0.000 1.026 129 E CA 0.640 57.017 56.400 -0.038 0.000 0.862 129 E CB 0.110 29.796 29.700 -0.024 0.000 0.799 129 E HN 0.608 nan 8.360 nan 0.000 0.518 130 G N 1.319 110.063 108.800 -0.093 0.000 2.163 130 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.213 130 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.213 130 G C -0.123 174.671 174.900 -0.176 0.000 0.991 130 G CA -0.418 44.613 45.100 -0.114 0.000 0.653 130 G HN 0.082 nan 8.290 nan 0.000 0.518 131 E N 0.546 120.588 120.200 -0.263 0.000 2.414 131 E HA 0.176 4.526 4.350 -0.001 0.000 0.263 131 E C 0.706 177.001 176.600 -0.509 0.000 1.000 131 E CA -0.155 55.953 56.400 -0.487 0.000 0.914 131 E CB 0.493 29.661 29.700 -0.887 0.000 0.948 131 E HN 0.316 nan 8.360 nan 0.000 0.444 132 N N 1.493 119.950 118.700 -0.405 0.000 2.250 132 N HA -0.027 4.713 4.740 -0.001 0.000 0.190 132 N C -0.460 175.059 175.510 0.016 0.000 1.116 132 N CA -0.051 52.887 53.050 -0.186 0.000 0.881 132 N CB 0.121 38.522 38.487 -0.143 0.000 1.006 132 N HN 0.451 nan 8.380 nan 0.000 0.491 133 Y N 0.655 120.979 120.300 0.039 0.000 2.961 133 Y HA -0.165 4.385 4.550 -0.001 0.000 0.184 133 Y C -1.239 174.696 175.900 0.059 0.000 1.515 133 Y CA -0.842 57.275 58.100 0.029 0.000 0.883 133 Y CB -1.115 37.355 38.460 0.017 0.000 1.412 133 Y HN 0.201 nan 8.280 nan 0.000 0.362 134 P HA -0.218 nan 4.420 nan 0.000 0.217 134 P C 0.490 177.686 177.300 -0.174 0.000 1.148 134 P CA 2.113 65.115 63.100 -0.164 0.000 0.828 134 P CB 0.106 31.544 31.700 -0.437 0.000 0.783 135 H N -2.191 116.905 119.070 0.043 0.000 2.586 135 H HA 0.162 4.717 4.556 -0.001 0.000 0.273 135 H C 1.823 176.979 175.328 -0.286 0.000 0.997 135 H CA -0.474 55.461 56.048 -0.189 0.000 1.177 135 H CB -0.171 29.356 29.762 -0.392 0.000 1.471 135 H HN -0.035 nan 8.280 nan 0.000 0.538 136 L N 1.181 122.394 121.223 -0.016 0.000 2.013 136 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 136 L C 2.231 179.050 176.870 -0.085 0.000 1.073 136 L CA 2.095 56.874 54.840 -0.101 0.000 0.753 136 L CB -0.479 41.442 42.059 -0.229 0.000 0.890 136 L HN 0.306 nan 8.230 nan 0.000 0.432 137 S N -1.670 114.011 115.700 -0.031 0.000 2.387 137 S HA -0.244 4.226 4.470 -0.001 0.000 0.226 137 S C 1.973 176.628 174.600 0.092 0.000 1.026 137 S CA 0.992 59.258 58.200 0.110 0.000 0.972 137 S CB -0.721 62.656 63.200 0.296 0.000 0.814 137 S HN 0.672 nan 8.310 nan 0.000 0.477 138 Q N 1.054 120.898 119.800 0.074 0.000 2.061 138 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 138 Q C 2.018 178.097 176.000 0.132 0.000 0.984 138 Q CA 1.883 57.734 55.803 0.080 0.000 0.846 138 Q CB -0.309 28.468 28.738 0.064 0.000 0.902 138 Q HN 0.840 nan 8.270 nan 0.000 0.421 139 H N -0.724 118.392 119.070 0.078 0.000 2.321 139 H HA -0.117 4.439 4.556 -0.001 0.000 0.300 139 H C 2.093 177.408 175.328 -0.022 0.000 1.087 139 H CA 1.241 57.309 56.048 0.034 0.000 1.319 139 H CB 0.104 29.870 29.762 0.006 0.000 1.379 139 H HN 0.235 nan 8.280 nan 0.000 0.501 140 I N 0.450 121.016 120.570 -0.006 0.000 2.394 140 I HA -0.146 4.024 4.170 -0.001 0.000 0.251 140 I C 2.726 178.817 176.117 -0.042 0.000 1.136 140 I CA 0.989 62.165 61.300 -0.206 0.000 1.425 140 I CB -0.269 37.270 38.000 -0.767 0.000 1.079 140 I HN 0.311 nan 8.210 nan 0.000 0.425 141 G N -0.100 108.719 108.800 0.031 0.000 2.476 141 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.218 141 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.218 141 G C 1.565 176.564 174.900 0.166 0.000 1.164 141 G CA 1.006 46.181 45.100 0.125 0.000 0.768 141 G HN 0.452 nan 8.290 nan 0.000 0.560 142 E N -0.482 119.810 120.200 0.154 0.000 2.051 142 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 142 E C 2.119 178.821 176.600 0.171 0.000 0.991 142 E CA 0.852 57.346 56.400 0.158 0.000 0.799 142 E CB -0.286 29.528 29.700 0.190 0.000 0.748 142 E HN 0.392 nan 8.360 nan 0.000 0.449 143 F N 1.426 121.388 119.950 0.020 0.000 2.065 143 F HA -0.267 4.259 4.527 -0.001 0.000 0.298 143 F C 2.045 177.888 175.800 0.072 0.000 1.112 143 F CA 1.738 59.737 58.000 -0.002 0.000 1.212 143 F CB -0.311 38.635 39.000 -0.090 0.000 0.975 143 F HN 0.011 nan 8.300 nan 0.000 0.476 144 L N -0.101 121.289 121.223 0.279 0.000 1.989 144 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 144 L C 2.848 179.955 176.870 0.395 0.000 1.071 144 L CA 1.548 56.555 54.840 0.279 0.000 0.749 144 L CB -1.611 40.601 42.059 0.256 0.000 0.890 144 L HN 0.373 nan 8.230 nan 0.000 0.431 145 G N -0.323 108.717 108.800 0.400 0.000 2.418 145 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 145 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 145 G C 1.717 176.733 174.900 0.193 0.000 1.158 145 G CA 0.664 45.894 45.100 0.218 0.000 0.771 145 G HN 0.305 nan 8.290 nan 0.000 0.545 146 K N 0.056 120.541 120.400 0.141 0.000 2.044 146 K HA -0.022 4.297 4.320 -0.001 0.000 0.204 146 K C 3.000 179.675 176.600 0.124 0.000 1.049 146 K CA 1.513 57.924 56.287 0.208 0.000 0.945 146 K CB -0.360 32.244 32.500 0.174 0.000 0.724 146 K HN 0.419 nan 8.250 nan 0.000 0.440 147 T N 0.472 114.962 114.554 -0.105 0.000 2.746 147 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 147 T C 1.844 176.508 174.700 -0.059 0.000 1.039 147 T CA 0.873 62.849 62.100 -0.207 0.000 1.142 147 T CB -0.214 68.287 68.868 -0.612 0.000 0.866 147 T HN -0.096 nan 8.240 nan 0.000 0.444 148 L N -0.007 121.263 121.223 0.079 0.000 2.072 148 L HA 0.280 4.619 4.340 -0.001 0.000 0.205 148 L C 2.262 179.294 176.870 0.270 0.000 1.079 148 L CA 0.935 55.897 54.840 0.204 0.000 0.752 148 L CB -1.578 40.710 42.059 0.383 0.000 0.906 148 L HN 0.290 nan 8.230 nan 0.000 0.436 149 F N -0.747 119.264 119.950 0.100 0.000 2.102 149 F HA -0.278 4.249 4.527 -0.001 0.000 0.298 149 F C 2.157 177.787 175.800 -0.282 0.000 1.105 149 F CA 1.594 59.459 58.000 -0.224 0.000 1.239 149 F CB -0.369 38.161 39.000 -0.783 0.000 0.991 149 F HN 0.072 nan 8.300 nan 0.000 0.474 150 Y N -0.682 119.496 120.300 -0.204 0.000 2.529 150 Y HA 0.071 4.621 4.550 -0.001 0.000 0.290 150 Y C 1.995 177.731 175.900 -0.273 0.000 1.177 150 Y CA 0.797 58.672 58.100 -0.375 0.000 1.305 150 Y CB -0.259 37.734 38.460 -0.779 0.000 1.047 150 Y HN -0.029 nan 8.280 nan 0.000 0.522 151 S N -1.129 114.506 115.700 -0.107 0.000 2.593 151 S HA 0.098 4.567 4.470 -0.001 0.000 0.236 151 S C 0.655 175.248 174.600 -0.010 0.000 0.991 151 S CA -0.152 58.028 58.200 -0.034 0.000 0.963 151 S CB -0.048 63.079 63.200 -0.122 0.000 0.865 151 S HN 0.323 nan 8.310 nan 0.000 0.488 152 S N 0.776 116.384 115.700 -0.153 0.000 2.730 152 S HA 0.348 4.818 4.470 -0.001 0.000 0.284 152 S C 0.458 174.907 174.600 -0.251 0.000 1.153 152 S CA -0.632 57.469 58.200 -0.165 0.000 0.995 152 S CB 0.667 63.756 63.200 -0.184 0.000 1.058 152 S HN 0.097 nan 8.310 nan 0.000 0.552 153 D N -0.078 120.129 120.400 -0.321 0.000 2.263 153 D HA -0.081 4.558 4.640 -0.001 0.000 0.208 153 D C 1.228 177.333 176.300 -0.326 0.000 0.971 153 D CA 1.276 55.096 54.000 -0.300 0.000 0.867 153 D CB -0.213 40.417 40.800 -0.283 0.000 0.929 153 D HN 0.647 nan 8.370 nan 0.000 0.492 154 Y N 0.980 121.118 120.300 -0.269 0.000 2.293 154 Y HA -0.036 4.514 4.550 -0.001 0.000 0.291 154 Y C 2.448 178.017 175.900 -0.551 0.000 1.137 154 Y CA 0.726 58.576 58.100 -0.415 0.000 1.202 154 Y CB -0.471 37.708 38.460 -0.469 0.000 0.990 154 Y HN -0.055 nan 8.280 nan 0.000 0.537 155 A N -1.031 121.431 122.820 -0.597 0.000 2.140 155 A HA 0.334 4.654 4.320 -0.001 0.000 0.209 155 A C 0.525 178.002 177.584 -0.178 0.000 1.181 155 A CA 0.098 51.820 52.037 -0.526 0.000 0.824 155 A CB -0.010 18.452 19.000 -0.897 0.000 0.879 155 A HN 0.212 nan 8.150 nan 0.000 0.480 156 L N 0.638 121.767 121.223 -0.156 0.000 2.354 156 L HA 0.357 4.697 4.340 -0.001 0.000 0.269 156 L C -0.604 176.231 176.870 -0.058 0.000 1.005 156 L CA -0.891 53.911 54.840 -0.063 0.000 0.819 156 L CB 1.912 43.949 42.059 -0.036 0.000 1.311 156 L HN 0.225 nan 8.230 nan 0.000 0.423 157 E N 2.687 122.869 120.200 -0.030 0.000 2.502 157 E HA -0.050 4.299 4.350 -0.001 0.000 0.261 157 E C -1.650 174.927 176.600 -0.040 0.000 0.974 157 E CA -1.212 55.171 56.400 -0.029 0.000 0.936 157 E CB 0.486 30.176 29.700 -0.016 0.000 0.926 157 E HN 0.350 nan 8.360 nan 0.000 0.459 158 P HA -0.180 nan 4.420 nan 0.000 0.218 158 P C 0.599 177.867 177.300 -0.054 0.000 1.148 158 P CA 1.388 64.456 63.100 -0.053 0.000 0.822 158 P CB 0.235 31.910 31.700 -0.041 0.000 0.784 159 K N -0.788 119.588 120.400 -0.040 0.000 2.148 159 K HA -0.044 4.276 4.320 -0.001 0.000 0.204 159 K C 1.930 178.506 176.600 -0.039 0.000 1.050 159 K CA 0.895 57.160 56.287 -0.038 0.000 0.942 159 K CB -0.674 31.811 32.500 -0.026 0.000 0.724 159 K HN -0.005 nan 8.250 nan 0.000 0.446 160 V N 1.870 121.766 119.914 -0.030 0.000 2.307 160 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 160 V C 2.382 178.455 176.094 -0.035 0.000 1.045 160 V CA 1.478 63.767 62.300 -0.018 0.000 1.024 160 V CB -0.350 31.475 31.823 0.003 0.000 0.651 160 V HN 0.287 nan 8.190 nan 0.000 0.449 161 K N 0.760 121.125 120.400 -0.059 0.000 2.063 161 K HA -0.225 4.095 4.320 -0.001 0.000 0.208 161 K C 2.161 178.616 176.600 -0.242 0.000 1.048 161 K CA 1.732 57.944 56.287 -0.125 0.000 0.928 161 K CB -0.227 32.209 32.500 -0.107 0.000 0.713 161 K HN 0.415 nan 8.250 nan 0.000 0.442 162 K N 0.159 120.459 120.400 -0.167 0.000 2.152 162 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 162 K C 2.246 178.762 176.600 -0.141 0.000 1.048 162 K CA 1.225 57.415 56.287 -0.162 0.000 0.933 162 K CB 0.032 32.472 32.500 -0.099 0.000 0.721 162 K HN 0.157 nan 8.250 nan 0.000 0.447 163 Q N 0.592 120.333 119.800 -0.098 0.000 2.123 163 Q HA -0.040 4.299 4.340 -0.001 0.000 0.199 163 Q C 2.193 178.158 176.000 -0.057 0.000 0.966 163 Q CA 1.108 56.871 55.803 -0.066 0.000 0.845 163 Q CB -0.133 28.583 28.738 -0.037 0.000 0.907 163 Q HN 0.365 nan 8.270 nan 0.000 0.439 164 L N -0.221 120.972 121.223 -0.049 0.000 2.093 164 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 164 L C 2.391 179.277 176.870 0.026 0.000 1.085 164 L CA 0.598 55.495 54.840 0.095 0.000 0.755 164 L CB -0.613 41.584 42.059 0.230 0.000 0.904 164 L HN 0.005 nan 8.230 nan 0.000 0.435 165 V N 0.201 119.871 119.914 -0.407 0.000 2.282 165 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 165 V C 2.527 178.610 176.094 -0.017 0.000 1.057 165 V CA 1.934 64.034 62.300 -0.334 0.000 1.032 165 V CB -0.574 31.016 31.823 -0.388 0.000 0.645 165 V HN 0.442 nan 8.190 nan 0.000 0.447 166 K N -0.300 120.069 120.400 -0.051 0.000 2.002 166 K HA -0.273 4.046 4.320 -0.001 0.000 0.209 166 K C 2.326 178.907 176.600 -0.031 0.000 1.048 166 K CA 1.955 58.224 56.287 -0.030 0.000 0.930 166 K CB -0.302 32.169 32.500 -0.049 0.000 0.714 166 K HN 0.516 nan 8.250 nan 0.000 0.438 167 Q N 0.073 119.829 119.800 -0.073 0.000 2.096 167 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 167 Q C 0.987 176.788 176.000 -0.331 0.000 0.982 167 Q CA 1.645 57.303 55.803 -0.242 0.000 0.850 167 Q CB 0.054 28.575 28.738 -0.361 0.000 0.901 167 Q HN 0.263 nan 8.270 nan 0.000 0.422 168 F N 0.258 120.275 119.950 0.112 0.000 2.641 168 F HA 0.224 4.750 4.527 -0.000 0.000 0.302 168 F C 0.277 176.182 175.800 0.176 0.000 1.098 168 F CA -0.189 57.909 58.000 0.163 0.000 1.318 168 F CB 0.476 39.625 39.000 0.248 0.000 1.035 168 F HN -0.215 nan 8.300 nan 0.000 0.551 169 T N 1.567 116.250 114.554 0.215 0.000 2.908 169 T HA -0.065 4.285 4.350 -0.001 0.000 0.301 169 T C 0.468 175.221 174.700 0.088 0.000 1.019 169 T CA 0.510 62.698 62.100 0.146 0.000 1.152 169 T CB 0.003 68.909 68.868 0.064 0.000 0.966 169 T HN 0.104 nan 8.240 nan 0.000 0.540 170 N N 4.000 122.727 118.700 0.044 0.000 2.711 170 N HA 0.287 5.027 4.740 -0.001 0.000 0.263 170 N C -2.294 173.149 175.510 -0.113 0.000 1.667 170 N CA -1.875 51.166 53.050 -0.015 0.000 0.785 170 N CB 1.105 39.624 38.487 0.053 0.000 1.231 170 N HN 0.197 nan 8.380 nan 0.000 0.503 171 P HA -0.026 nan 4.420 nan 0.000 0.217 171 P C 0.826 178.075 177.300 -0.085 0.000 1.150 171 P CA 1.157 64.201 63.100 -0.094 0.000 0.832 171 P CB 0.657 32.321 31.700 -0.060 0.000 0.787 172 E N -0.934 119.218 120.200 -0.081 0.000 2.112 172 E HA -0.048 4.302 4.350 -0.001 0.000 0.190 172 E C 1.863 178.418 176.600 -0.076 0.000 0.979 172 E CA 0.628 56.986 56.400 -0.069 0.000 0.814 172 E CB -0.347 29.308 29.700 -0.076 0.000 0.762 172 E HN 0.104 nan 8.360 nan 0.000 0.460 173 L N 0.407 121.546 121.223 -0.139 0.000 2.131 173 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 173 L C 2.411 179.317 176.870 0.059 0.000 1.087 173 L CA 0.953 55.670 54.840 -0.205 0.000 0.767 173 L CB -1.004 40.748 42.059 -0.513 0.000 0.917 173 L HN 0.344 nan 8.230 nan 0.000 0.441 174 C N 0.125 119.391 119.300 -0.056 0.000 2.413 174 C HA -0.198 4.261 4.460 -0.001 0.000 0.276 174 C C 2.578 177.625 174.990 0.096 0.000 1.248 174 C CA 1.024 59.998 59.018 -0.075 0.000 1.742 174 C CB -0.671 26.804 27.740 -0.441 0.000 2.017 174 C HN 0.560 nan 8.230 nan 0.000 0.481 175 D N 0.636 121.063 120.400 0.045 0.000 2.123 175 D HA -0.126 4.513 4.640 -0.001 0.000 0.196 175 D C 1.817 178.198 176.300 0.134 0.000 0.992 175 D CA 1.311 55.357 54.000 0.076 0.000 0.833 175 D CB -0.241 40.578 40.800 0.032 0.000 0.954 175 D HN 0.492 nan 8.370 nan 0.000 0.455 176 I N -0.083 120.586 120.570 0.165 0.000 2.179 176 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 176 I C 2.301 178.560 176.117 0.237 0.000 1.088 176 I CA 1.395 62.824 61.300 0.215 0.000 1.357 176 I CB -0.461 37.722 38.000 0.306 0.000 1.051 176 I HN 0.071 nan 8.210 nan 0.000 0.409 177 T N -0.092 114.639 114.554 0.295 0.000 2.777 177 T HA -0.159 4.190 4.350 -0.001 0.000 0.266 177 T C 1.723 176.558 174.700 0.224 0.000 1.040 177 T CA 1.275 63.497 62.100 0.204 0.000 1.141 177 T CB -0.282 68.713 68.868 0.212 0.000 0.868 177 T HN 0.386 nan 8.240 nan 0.000 0.444 178 E N 0.808 121.189 120.200 0.302 0.000 2.118 178 E HA -0.118 4.231 4.350 -0.001 0.000 0.195 178 E C 2.552 179.338 176.600 0.310 0.000 0.992 178 E CA 0.942 57.548 56.400 0.344 0.000 0.804 178 E CB -0.052 29.798 29.700 0.249 0.000 0.741 178 E HN 0.398 nan 8.360 nan 0.000 0.458 179 R N 0.070 120.707 120.500 0.228 0.000 2.055 179 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 179 R C 2.452 178.883 176.300 0.218 0.000 1.135 179 R CA 0.833 57.058 56.100 0.209 0.000 0.959 179 R CB -0.145 30.245 30.300 0.149 0.000 0.854 179 R HN 0.154 nan 8.270 nan 0.000 0.431 180 L N 0.098 121.422 121.223 0.168 0.000 2.095 180 L HA -0.057 4.283 4.340 -0.001 0.000 0.204 180 L C 2.308 179.221 176.870 0.072 0.000 1.080 180 L CA 0.773 55.686 54.840 0.122 0.000 0.759 180 L CB -0.266 41.847 42.059 0.091 0.000 0.914 180 L HN 0.021 nan 8.230 nan 0.000 0.439 181 V N -1.203 118.705 119.914 -0.010 0.000 2.488 181 V HA -0.143 3.976 4.120 -0.001 0.000 0.246 181 V C 1.700 177.690 176.094 -0.174 0.000 1.046 181 V CA 1.581 63.741 62.300 -0.233 0.000 1.053 181 V CB -0.280 31.209 31.823 -0.555 0.000 0.679 181 V HN 0.250 nan 8.190 nan 0.000 0.458 182 F N -0.974 119.121 119.950 0.241 0.000 2.724 182 F HA 0.194 4.721 4.527 -0.001 0.000 0.306 182 F C 1.840 177.848 175.800 0.346 0.000 1.100 182 F CA 0.605 58.773 58.000 0.279 0.000 1.255 182 F CB 0.325 39.414 39.000 0.148 0.000 1.072 182 F HN 0.045 nan 8.300 nan 0.000 0.589 183 T N -2.037 112.847 114.554 0.549 0.000 3.321 183 T HA 0.021 4.371 4.350 -0.001 0.000 0.251 183 T C 1.139 176.184 174.700 0.577 0.000 0.999 183 T CA 0.288 62.708 62.100 0.533 0.000 1.186 183 T CB -0.125 68.956 68.868 0.354 0.000 1.163 183 T HN -0.192 nan 8.240 nan 0.000 0.399 184 D N 2.106 122.758 120.400 0.420 0.000 2.117 184 D HA -0.025 4.615 4.640 -0.001 0.000 0.197 184 D C -0.979 175.461 176.300 0.233 0.000 0.987 184 D CA 1.147 55.361 54.000 0.356 0.000 0.829 184 D CB -1.476 39.521 40.800 0.329 0.000 0.961 184 D HN 0.315 nan 8.370 nan 0.000 0.460 185 P HA -0.102 nan 4.420 nan 0.000 0.219 185 P C 0.918 178.199 177.300 -0.031 0.000 1.146 185 P CA 0.865 63.950 63.100 -0.025 0.000 0.808 185 P CB -0.174 31.319 31.700 -0.345 0.000 0.779 186 F N -3.031 117.012 119.950 0.156 0.000 2.765 186 F HA 0.226 4.752 4.527 -0.001 0.000 0.302 186 F C 0.831 176.264 175.800 -0.612 0.000 1.111 186 F CA 0.217 58.194 58.000 -0.039 0.000 1.359 186 F CB -0.197 38.725 39.000 -0.130 0.000 1.097 186 F HN -0.212 nan 8.300 nan 0.000 0.577 187 F N -1.402 118.255 119.950 -0.488 0.000 2.675 187 F HA 0.268 4.794 4.527 -0.001 0.000 0.324 187 F C 0.202 175.080 175.800 -1.537 0.000 1.106 187 F CA -1.693 55.679 58.000 -1.048 0.000 0.970 187 F CB 0.385 38.811 39.000 -0.956 0.000 1.385 187 F HN -0.482 nan 8.300 nan 0.000 0.489 188 D N 0.804 120.445 120.400 -1.265 0.000 2.671 188 D HA 0.065 4.705 4.640 -0.001 0.000 0.228 188 D C -0.466 175.748 176.300 -0.143 0.000 1.102 188 D CA 0.362 53.796 54.000 -0.944 0.000 1.044 188 D CB -0.787 39.636 40.800 -0.628 0.000 1.113 188 D HN 0.460 nan 8.370 nan 0.000 0.480 189 H N 0.453 119.459 119.070 -0.106 0.000 2.483 189 H HA 0.109 4.665 4.556 -0.001 0.000 0.338 189 H C 0.866 176.222 175.328 0.047 0.000 1.152 189 H CA -1.100 54.945 56.048 -0.005 0.000 1.264 189 H CB 1.552 31.331 29.762 0.030 0.000 1.510 189 H HN 0.081 nan 8.280 nan 0.000 0.530 190 D N 0.810 121.290 120.400 0.133 0.000 2.190 190 D HA -0.162 4.478 4.640 -0.001 0.000 0.200 190 D C 2.064 178.414 176.300 0.084 0.000 0.992 190 D CA 1.975 56.019 54.000 0.073 0.000 0.854 190 D CB -0.261 40.549 40.800 0.017 0.000 0.936 190 D HN 0.675 nan 8.370 nan 0.000 0.462 191 T N -1.892 112.731 114.554 0.115 0.000 3.085 191 T HA -0.033 4.316 4.350 -0.001 0.000 0.263 191 T C 0.914 175.694 174.700 0.133 0.000 1.127 191 T CA -0.265 61.897 62.100 0.104 0.000 1.103 191 T CB 0.010 68.942 68.868 0.108 0.000 0.921 191 T HN -0.126 nan 8.240 nan 0.000 0.510 192 N N 3.018 121.837 118.700 0.199 0.000 2.479 192 N HA 0.319 5.058 4.740 -0.001 0.000 0.257 192 N C -0.913 174.708 175.510 0.185 0.000 1.232 192 N CA 0.204 53.426 53.050 0.287 0.000 0.920 192 N CB 0.827 39.618 38.487 0.507 0.000 1.105 192 N HN 0.427 nan 8.380 nan 0.000 0.444 193 D N 1.017 121.575 120.400 0.263 0.000 2.375 193 D HA 0.361 5.001 4.640 -0.001 0.000 0.241 193 D C -1.562 174.941 176.300 0.338 0.000 1.361 193 D CA -0.477 53.593 54.000 0.117 0.000 0.995 193 D CB -0.044 40.744 40.800 -0.019 0.000 1.312 193 D HN 0.363 nan 8.370 nan 0.000 0.576 194 F N -0.004 120.050 119.950 0.173 0.000 2.645 194 F HA 0.707 5.233 4.527 -0.001 0.000 0.310 194 F C -0.331 175.535 175.800 0.110 0.000 1.102 194 F CA -1.265 56.816 58.000 0.136 0.000 0.952 194 F CB 0.746 39.780 39.000 0.056 0.000 1.326 194 F HN -0.126 nan 8.300 nan 0.000 0.456 195 E N 0.751 121.146 120.200 0.326 0.000 2.383 195 E HA 0.138 4.487 4.350 -0.001 0.000 0.264 195 E C 0.552 177.332 176.600 0.300 0.000 1.050 195 E CA -0.112 56.447 56.400 0.263 0.000 0.896 195 E CB 0.864 30.740 29.700 0.293 0.000 0.982 195 E HN 0.687 nan 8.360 nan 0.000 0.424 196 E N 1.793 122.113 120.200 0.200 0.000 2.160 196 E HA -0.211 4.139 4.350 -0.001 0.000 0.195 196 E C 0.891 177.592 176.600 0.169 0.000 0.991 196 E CA 1.273 57.775 56.400 0.170 0.000 0.810 196 E CB 0.065 29.824 29.700 0.098 0.000 0.742 196 E HN 0.491 nan 8.360 nan 0.000 0.466 197 E N -0.666 119.652 120.200 0.198 0.000 2.265 197 E HA -0.115 4.235 4.350 -0.001 0.000 0.196 197 E C 1.415 178.108 176.600 0.155 0.000 0.996 197 E CA 0.357 56.858 56.400 0.168 0.000 0.832 197 E CB -0.080 29.759 29.700 0.231 0.000 0.756 197 E HN 0.153 nan 8.360 nan 0.000 0.491 198 L N 0.117 121.442 121.223 0.170 0.000 2.446 198 L HA 0.105 4.444 4.340 -0.001 0.000 0.219 198 L C 2.057 178.914 176.870 -0.021 0.000 1.116 198 L CA 0.931 55.860 54.840 0.148 0.000 0.844 198 L CB -0.245 41.861 42.059 0.078 0.000 0.970 198 L HN -0.031 nan 8.230 nan 0.000 0.457 199 R N 0.341 120.844 120.500 0.005 0.000 2.113 199 R HA -0.199 4.141 4.340 -0.001 0.000 0.244 199 R C -0.594 175.497 176.300 -0.348 0.000 1.142 199 R CA 2.202 58.234 56.100 -0.113 0.000 0.953 199 R CB -1.302 29.041 30.300 0.073 0.000 0.860 199 R HN 0.239 nan 8.270 nan 0.000 0.438 200 P HA -0.152 nan 4.420 nan 0.000 0.216 200 P C 0.603 177.501 177.300 -0.670 0.000 1.150 200 P CA 1.586 64.313 63.100 -0.622 0.000 0.843 200 P CB -0.106 31.057 31.700 -0.895 0.000 0.787 201 F N -2.011 117.774 119.950 -0.275 0.000 2.512 201 F HA -0.042 4.485 4.527 -0.001 0.000 0.296 201 F C 2.213 177.740 175.800 -0.454 0.000 1.110 201 F CA 0.348 58.164 58.000 -0.307 0.000 1.446 201 F CB -1.284 37.557 39.000 -0.266 0.000 1.092 201 F HN -0.280 nan 8.300 nan 0.000 0.554 202 V N 0.331 119.931 119.914 -0.524 0.000 2.323 202 V HA -0.228 3.891 4.120 -0.001 0.000 0.244 202 V C 2.127 177.501 176.094 -1.200 0.000 1.041 202 V CA 1.883 63.589 62.300 -0.990 0.000 1.025 202 V CB -0.506 30.431 31.823 -1.476 0.000 0.656 202 V HN 0.295 nan 8.190 nan 0.000 0.451 203 E N 0.338 119.996 120.200 -0.902 0.000 2.153 203 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 203 E C 2.455 178.904 176.600 -0.252 0.000 0.988 203 E CA 1.429 57.518 56.400 -0.519 0.000 0.811 203 E CB -0.238 29.313 29.700 -0.248 0.000 0.746 203 E HN 0.689 nan 8.360 nan 0.000 0.466 204 K N 1.195 121.440 120.400 -0.258 0.000 2.032 204 K HA -0.167 4.153 4.320 -0.001 0.000 0.209 204 K C 1.968 178.504 176.600 -0.107 0.000 1.048 204 K CA 1.590 57.793 56.287 -0.141 0.000 0.927 204 K CB -1.192 31.244 32.500 -0.107 0.000 0.712 204 K HN 0.102 nan 8.250 nan 0.000 0.441 205 L N -0.657 120.459 121.223 -0.179 0.000 2.017 205 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 205 L C 2.394 179.297 176.870 0.055 0.000 1.073 205 L CA 2.000 56.784 54.840 -0.093 0.000 0.745 205 L CB -0.623 41.323 42.059 -0.189 0.000 0.894 205 L HN 0.611 nan 8.230 nan 0.000 0.432 206 W N 0.153 121.378 121.300 -0.126 0.000 2.350 206 W HA -0.144 4.516 4.660 -0.001 0.000 0.289 206 W C 2.110 178.548 176.519 -0.135 0.000 1.215 206 W CA 0.884 58.133 57.345 -0.160 0.000 1.236 206 W CB -1.280 28.103 29.460 -0.127 0.000 1.130 206 W HN 0.342 nan 8.180 nan 0.000 0.541 207 N N 0.009 118.783 118.700 0.123 0.000 2.336 207 N HA -0.068 4.671 4.740 -0.001 0.000 0.189 207 N C 0.100 175.625 175.510 0.025 0.000 1.113 207 N CA 0.301 53.388 53.050 0.062 0.000 0.858 207 N CB -0.315 38.199 38.487 0.044 0.000 0.970 207 N HN -0.025 nan 8.380 nan 0.000 0.471 208 N N 1.785 120.498 118.700 0.021 0.000 2.602 208 N HA 0.038 4.777 4.740 -0.001 0.000 0.238 208 N C 0.119 175.629 175.510 0.001 0.000 1.084 208 N CA -0.085 52.971 53.050 0.009 0.000 0.952 208 N CB 0.643 39.138 38.487 0.013 0.000 1.244 208 N HN -0.077 nan 8.380 nan 0.000 0.512 209 D N 0.662 121.061 120.400 -0.002 0.000 2.123 209 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 209 D C 1.780 178.073 176.300 -0.011 0.000 0.992 209 D CA 1.549 55.545 54.000 -0.006 0.000 0.833 209 D CB 0.003 40.806 40.800 0.004 0.000 0.954 209 D HN 0.651 nan 8.370 nan 0.000 0.455 210 S N -0.130 115.565 115.700 -0.008 0.000 2.383 210 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 210 S C 2.150 176.741 174.600 -0.015 0.000 1.026 210 S CA 0.852 59.046 58.200 -0.011 0.000 0.981 210 S CB -0.539 62.655 63.200 -0.010 0.000 0.818 210 S HN 0.141 nan 8.310 nan 0.000 0.472 211 V N 1.634 121.544 119.914 -0.008 0.000 2.453 211 V HA -0.051 4.069 4.120 -0.001 0.000 0.247 211 V C 2.425 178.484 176.094 -0.058 0.000 1.048 211 V CA 1.900 64.199 62.300 -0.002 0.000 1.049 211 V CB -0.591 31.262 31.823 0.049 0.000 0.672 211 V HN 0.487 nan 8.190 nan 0.000 0.457 212 K N -0.292 120.064 120.400 -0.073 0.000 2.097 212 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 212 K C 1.944 178.471 176.600 -0.122 0.000 1.050 212 K CA 1.739 57.925 56.287 -0.169 0.000 0.938 212 K CB -0.239 32.171 32.500 -0.151 0.000 0.718 212 K HN 0.470 nan 8.250 nan 0.000 0.442 213 I N 1.266 121.803 120.570 -0.055 0.000 2.286 213 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 213 I C 2.079 178.175 176.117 -0.035 0.000 1.115 213 I CA 1.099 62.384 61.300 -0.025 0.000 1.392 213 I CB -0.147 37.848 38.000 -0.008 0.000 1.065 213 I HN 0.162 nan 8.210 nan 0.000 0.418 214 E N 0.951 121.121 120.200 -0.050 0.000 2.072 214 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 214 E C 2.368 178.932 176.600 -0.061 0.000 0.982 214 E CA 1.308 57.682 56.400 -0.044 0.000 0.803 214 E CB -0.357 29.323 29.700 -0.033 0.000 0.755 214 E HN 0.461 nan 8.360 nan 0.000 0.453 215 A N 1.723 124.451 122.820 -0.154 0.000 1.908 215 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 215 A C 2.435 179.980 177.584 -0.065 0.000 1.181 215 A CA 2.237 54.135 52.037 -0.232 0.000 0.627 215 A CB -0.635 17.809 19.000 -0.926 0.000 0.818 215 A HN 0.267 nan 8.150 nan 0.000 0.445 216 A N -0.153 122.628 122.820 -0.065 0.000 1.877 216 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 216 A C 2.107 179.707 177.584 0.026 0.000 1.186 216 A CA 1.922 53.966 52.037 0.011 0.000 0.620 216 A CB -0.462 18.553 19.000 0.024 0.000 0.822 216 A HN 0.563 nan 8.150 nan 0.000 0.443 217 K N -0.443 119.967 120.400 0.018 0.000 2.057 217 K HA -0.035 4.285 4.320 -0.001 0.000 0.207 217 K C 1.823 178.451 176.600 0.047 0.000 1.049 217 K CA 1.394 57.699 56.287 0.029 0.000 0.931 217 K CB -0.373 32.137 32.500 0.018 0.000 0.714 217 K HN 0.454 nan 8.250 nan 0.000 0.440 218 L N 1.119 122.374 121.223 0.054 0.000 2.093 218 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 218 L C 2.594 179.545 176.870 0.135 0.000 1.085 218 L CA 1.179 56.096 54.840 0.127 0.000 0.755 218 L CB -0.303 41.856 42.059 0.166 0.000 0.904 218 L HN 0.150 nan 8.230 nan 0.000 0.435 219 K N 0.484 120.852 120.400 -0.054 0.000 2.057 219 K HA -0.229 4.091 4.320 -0.001 0.000 0.207 219 K C 2.324 178.847 176.600 -0.130 0.000 1.049 219 K CA 1.206 57.249 56.287 -0.407 0.000 0.931 219 K CB -0.008 32.429 32.500 -0.106 0.000 0.714 219 K HN 0.041 nan 8.250 nan 0.000 0.440 220 K N 0.700 121.097 120.400 -0.004 0.000 2.063 220 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 220 K C 2.103 178.751 176.600 0.080 0.000 1.048 220 K CA 1.703 58.014 56.287 0.039 0.000 0.928 220 K CB -0.320 32.208 32.500 0.046 0.000 0.713 220 K HN 0.094 nan 8.250 nan 0.000 0.442 221 S N 0.020 115.801 115.700 0.135 0.000 2.368 221 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 221 S C 1.805 176.546 174.600 0.235 0.000 1.030 221 S CA 0.958 59.291 58.200 0.221 0.000 0.999 221 S CB -0.449 62.941 63.200 0.317 0.000 0.844 221 S HN 0.418 nan 8.310 nan 0.000 0.459 222 F N 1.988 121.951 119.950 0.021 0.000 2.126 222 F HA -0.043 4.484 4.527 -0.001 0.000 0.299 222 F C 1.821 177.622 175.800 0.002 0.000 1.096 222 F CA 1.479 59.408 58.000 -0.118 0.000 1.255 222 F CB -0.327 38.318 39.000 -0.592 0.000 0.997 222 F HN 0.193 nan 8.300 nan 0.000 0.479 223 L N -0.777 120.474 121.223 0.046 0.000 2.201 223 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 223 L C 2.084 178.965 176.870 0.018 0.000 1.105 223 L CA 1.760 56.607 54.840 0.011 0.000 0.775 223 L CB -0.671 41.406 42.059 0.031 0.000 0.913 223 L HN 0.376 nan 8.230 nan 0.000 0.440 224 T N -7.741 106.839 114.554 0.042 0.000 2.980 224 T HA 0.111 4.460 4.350 -0.001 0.000 0.252 224 T C 0.906 175.643 174.700 0.062 0.000 0.962 224 T CA -0.183 61.948 62.100 0.051 0.000 0.932 224 T CB 0.139 69.039 68.868 0.053 0.000 1.188 224 T HN -0.034 nan 8.240 nan 0.000 0.500 225 S N 2.566 118.312 115.700 0.077 0.000 3.072 225 S HA 0.622 5.092 4.470 -0.001 0.000 0.306 225 S C 0.543 175.178 174.600 0.058 0.000 1.207 225 S CA -0.416 57.840 58.200 0.093 0.000 1.008 225 S CB 0.019 63.315 63.200 0.160 0.000 1.390 225 S HN 0.694 nan 8.310 nan 0.000 0.523 226 A N 3.004 125.863 122.820 0.065 0.000 3.091 226 A HA 0.247 4.567 4.320 -0.001 0.000 0.264 226 A C 1.082 178.751 177.584 0.142 0.000 1.673 226 A CA -0.460 51.636 52.037 0.097 0.000 1.362 226 A CB -0.273 18.784 19.000 0.095 0.000 1.137 226 A HN 0.749 nan 8.150 nan 0.000 0.617 227 E N -0.049 120.207 120.200 0.093 0.000 2.122 227 E HA 0.035 4.385 4.350 -0.001 0.000 0.190 227 E C 0.705 177.352 176.600 0.078 0.000 0.977 227 E CA 0.999 57.449 56.400 0.082 0.000 0.820 227 E CB 0.281 30.048 29.700 0.112 0.000 0.770 227 E HN 0.547 nan 8.360 nan 0.000 0.462 228 T N -0.813 113.709 114.554 -0.054 0.000 2.739 228 T HA 0.318 4.667 4.350 -0.001 0.000 0.303 228 T C -2.071 172.024 174.700 -1.008 0.000 1.389 228 T CA -0.815 61.090 62.100 -0.325 0.000 1.001 228 T CB 1.046 69.840 68.868 -0.124 0.000 1.436 228 T HN -0.021 nan 8.240 nan 0.000 0.500 229 L N 4.330 124.827 121.223 -1.210 0.000 2.315 229 L HA 0.640 4.980 4.340 -0.001 0.000 0.283 229 L C -0.078 176.467 176.870 -0.541 0.000 1.089 229 L CA -0.145 54.026 54.840 -1.115 0.000 0.833 229 L CB -0.493 40.975 42.059 -0.984 0.000 1.170 229 L HN 0.591 nan 8.230 nan 0.000 0.442 230 I N 0.961 121.261 120.570 -0.449 0.000 2.793 230 I HA 0.346 4.516 4.170 -0.001 0.000 0.313 230 I C 0.987 177.118 176.117 0.024 0.000 0.998 230 I CA -0.677 60.526 61.300 -0.161 0.000 1.140 230 I CB 1.190 39.100 38.000 -0.149 0.000 1.327 230 I HN 0.653 nan 8.210 nan 0.000 0.491 231 H N 3.257 122.400 119.070 0.122 0.000 2.363 231 H HA 0.004 4.560 4.556 -0.001 0.000 0.301 231 H C 1.554 177.066 175.328 0.305 0.000 1.074 231 H CA 2.075 58.256 56.048 0.221 0.000 1.354 231 H CB 0.243 30.170 29.762 0.275 0.000 1.397 231 H HN 1.048 nan 8.280 nan 0.000 0.516 232 G N 0.565 109.704 108.800 0.565 0.000 2.205 232 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.261 232 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.261 232 G C 0.226 175.479 174.900 0.589 0.000 0.980 232 G CA 0.761 46.251 45.100 0.650 0.000 0.632 232 G HN 0.586 nan 8.290 nan 0.000 0.533 233 D N -0.959 119.802 120.400 0.601 0.000 3.453 233 D HA 0.253 4.893 4.640 -0.001 0.000 0.312 233 D C -0.004 176.439 176.300 0.238 0.000 1.349 233 D CA -0.544 53.636 54.000 0.300 0.000 0.739 233 D CB -0.228 40.556 40.800 -0.027 0.000 1.312 233 D HN 0.187 nan 8.370 nan 0.000 0.628 234 L N 3.076 124.334 121.223 0.058 0.000 2.480 234 L HA 0.325 4.664 4.340 -0.001 0.000 0.243 234 L C -0.282 176.553 176.870 -0.059 0.000 1.315 234 L CA -0.120 54.544 54.840 -0.292 0.000 1.231 234 L CB -1.224 40.639 42.059 -0.327 0.000 1.444 234 L HN 0.278 nan 8.230 nan 0.000 0.409 235 H N -2.012 117.020 119.070 -0.064 0.000 2.570 235 H HA 0.530 5.085 4.556 -0.001 0.000 0.342 235 H C 1.217 176.535 175.328 -0.017 0.000 1.245 235 H CA -0.237 55.791 56.048 -0.033 0.000 1.318 235 H CB 0.177 29.899 29.762 -0.066 0.000 1.694 235 H HN 0.221 nan 8.280 nan 0.000 0.592 236 T N -3.167 111.428 114.554 0.068 0.000 2.962 236 T HA -0.043 4.307 4.350 -0.001 0.000 0.270 236 T C 1.995 176.654 174.700 -0.068 0.000 1.088 236 T CA 0.621 62.721 62.100 -0.002 0.000 1.127 236 T CB -0.777 68.081 68.868 -0.016 0.000 0.883 236 T HN 0.785 nan 8.240 nan 0.000 0.493 237 G N 0.726 109.546 108.800 0.032 0.000 2.679 237 G HA2 0.046 4.006 3.960 -0.001 0.000 0.212 237 G HA3 0.046 4.006 3.960 -0.001 0.000 0.212 237 G C 1.205 175.900 174.900 -0.342 0.000 1.137 237 G CA 0.199 45.265 45.100 -0.058 0.000 0.787 237 G HN 0.554 nan 8.290 nan 0.000 0.534 238 S N 0.140 115.485 115.700 -0.592 0.000 2.561 238 S HA 0.453 4.922 4.470 -0.001 0.000 0.245 238 S C -0.001 174.405 174.600 -0.325 0.000 1.001 238 S CA -0.244 57.701 58.200 -0.425 0.000 1.002 238 S CB 0.042 62.980 63.200 -0.436 0.000 0.805 238 S HN 0.240 nan 8.310 nan 0.000 0.458 239 I N 0.911 121.280 120.570 -0.335 0.000 2.569 239 I HA 0.436 4.606 4.170 -0.001 0.000 0.290 239 I C -1.325 174.611 176.117 -0.301 0.000 1.088 239 I CA -0.677 60.459 61.300 -0.274 0.000 1.047 239 I CB 1.936 39.794 38.000 -0.238 0.000 1.237 239 I HN 0.016 nan 8.210 nan 0.000 0.421 240 F N 4.202 124.045 119.950 -0.178 0.000 2.421 240 F HA 0.776 5.303 4.527 -0.001 0.000 0.337 240 F C 0.439 176.099 175.800 -0.232 0.000 1.105 240 F CA -0.246 57.649 58.000 -0.176 0.000 1.049 240 F CB 1.894 40.802 39.000 -0.152 0.000 1.139 240 F HN 0.462 nan 8.300 nan 0.000 0.479 241 A N 2.005 124.776 122.820 -0.080 0.000 2.515 241 A HA 0.806 5.125 4.320 -0.001 0.000 0.298 241 A C -0.924 176.530 177.584 -0.216 0.000 1.059 241 A CA -0.350 51.488 52.037 -0.332 0.000 0.698 241 A CB 1.557 20.001 19.000 -0.927 0.000 1.289 241 A HN 0.769 nan 8.150 nan 0.000 0.404 242 S N -0.167 115.483 115.700 -0.083 0.000 2.851 242 S HA 0.527 4.996 4.470 -0.001 0.000 0.317 242 S C 0.801 175.524 174.600 0.206 0.000 1.144 242 S CA 0.205 58.488 58.200 0.139 0.000 0.862 242 S CB 1.002 64.310 63.200 0.181 0.000 1.259 242 S HN 0.814 nan 8.310 nan 0.000 0.564 243 E N 0.039 120.350 120.200 0.185 0.000 2.097 243 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 243 E C 1.136 177.692 176.600 -0.073 0.000 1.000 243 E CA 1.828 58.216 56.400 -0.021 0.000 0.804 243 E CB -0.185 29.317 29.700 -0.330 0.000 0.740 243 E HN 0.700 nan 8.360 nan 0.000 0.454 244 H N -1.191 118.047 119.070 0.279 0.000 2.740 244 H HA 0.313 4.869 4.556 -0.001 0.000 0.265 244 H C 0.092 175.593 175.328 0.289 0.000 0.978 244 H CA 0.205 56.424 56.048 0.284 0.000 1.198 244 H CB 0.685 30.559 29.762 0.186 0.000 1.467 244 H HN 0.128 nan 8.280 nan 0.000 0.511 245 E N 0.992 121.380 120.200 0.313 0.000 2.256 245 E HA 0.447 4.797 4.350 -0.001 0.000 0.267 245 E C -0.739 175.943 176.600 0.138 0.000 0.892 245 E CA -0.567 55.953 56.400 0.200 0.000 0.775 245 E CB 2.549 32.338 29.700 0.150 0.000 1.207 245 E HN -0.077 nan 8.360 nan 0.000 0.420 246 T N 2.368 116.951 114.554 0.048 0.000 2.916 246 T HA 0.423 4.773 4.350 -0.001 0.000 0.298 246 T C -1.038 173.604 174.700 -0.098 0.000 1.031 246 T CA -1.037 61.061 62.100 -0.003 0.000 0.993 246 T CB 1.159 70.105 68.868 0.130 0.000 1.045 246 T HN 0.145 nan 8.240 nan 0.000 0.454 247 K N 2.301 122.652 120.400 -0.082 0.000 2.507 247 K HA 0.504 4.823 4.320 -0.001 0.000 0.251 247 K C -1.028 175.497 176.600 -0.124 0.000 0.943 247 K CA -0.689 55.548 56.287 -0.083 0.000 0.794 247 K CB 2.612 35.108 32.500 -0.007 0.000 1.188 247 K HN 0.391 nan 8.250 nan 0.000 0.428 248 V N 4.788 124.552 119.914 -0.250 0.000 2.461 248 V HA 0.407 4.527 4.120 -0.001 0.000 0.275 248 V C 0.631 176.676 176.094 -0.082 0.000 1.047 248 V CA -0.627 61.459 62.300 -0.356 0.000 0.955 248 V CB 0.395 31.632 31.823 -0.976 0.000 0.988 248 V HN 0.711 nan 8.190 nan 0.000 0.471 249 I N 0.171 120.748 120.570 0.011 0.000 3.170 249 I HA 0.726 4.895 4.170 -0.001 0.000 0.312 249 I C -0.317 175.915 176.117 0.191 0.000 1.085 249 I CA -0.948 60.424 61.300 0.120 0.000 0.999 249 I CB 1.916 40.017 38.000 0.169 0.000 1.233 249 I HN 0.489 nan 8.210 nan 0.000 0.467 250 D N 0.817 121.301 120.400 0.140 0.000 2.699 250 D HA -0.097 4.543 4.640 -0.001 0.000 0.239 250 D C -2.017 174.289 176.300 0.010 0.000 1.136 250 D CA 0.437 54.509 54.000 0.120 0.000 0.668 250 D CB -1.220 39.671 40.800 0.152 0.000 1.060 250 D HN 0.604 nan 8.370 nan 0.000 0.429 251 P HA -0.025 nan 4.420 nan 0.000 0.246 251 P C 1.039 178.285 177.300 -0.090 0.000 1.686 251 P CA 0.223 63.068 63.100 -0.424 0.000 0.867 251 P CB -0.334 31.239 31.700 -0.211 0.000 1.733 252 E N -0.891 119.329 120.200 0.033 0.000 2.347 252 E HA -0.120 4.229 4.350 -0.001 0.000 0.196 252 E C 0.524 177.118 176.600 -0.010 0.000 1.008 252 E CA 0.590 57.005 56.400 0.025 0.000 0.852 252 E CB -0.620 29.071 29.700 -0.015 0.000 0.783 252 E HN 0.193 nan 8.360 nan 0.000 0.505 253 F N 1.836 121.828 119.950 0.070 0.000 2.797 253 F HA 0.297 4.824 4.527 -0.000 0.000 0.302 253 F C 1.204 177.159 175.800 0.258 0.000 1.130 253 F CA -0.037 58.064 58.000 0.167 0.000 1.387 253 F CB 0.062 39.208 39.000 0.243 0.000 1.107 253 F HN -0.006 nan 8.300 nan 0.000 0.577 254 A N 1.276 124.275 122.820 0.299 0.000 2.540 254 A HA 0.386 4.706 4.320 -0.001 0.000 0.239 254 A C -0.289 177.528 177.584 0.388 0.000 1.061 254 A CA 0.334 52.516 52.037 0.242 0.000 0.758 254 A CB -0.520 18.523 19.000 0.072 0.000 0.991 254 A HN 0.459 nan 8.150 nan 0.000 0.502 255 F N -0.643 119.315 119.950 0.013 0.000 2.900 255 F HA 0.515 5.041 4.527 -0.001 0.000 0.321 255 F C -1.548 174.220 175.800 -0.052 0.000 1.160 255 F CA -1.497 56.541 58.000 0.063 0.000 0.890 255 F CB 0.835 39.860 39.000 0.042 0.000 1.334 255 F HN 0.371 nan 8.300 nan 0.000 0.459 256 Y N 1.831 122.038 120.300 -0.155 0.000 2.539 256 Y HA 0.580 5.130 4.550 -0.001 0.000 0.352 256 Y C 0.686 176.217 175.900 -0.616 0.000 1.004 256 Y CA 0.810 58.721 58.100 -0.316 0.000 1.278 256 Y CB 0.825 39.242 38.460 -0.073 0.000 1.136 256 Y HN 0.908 nan 8.280 nan 0.000 0.528 257 G N 4.242 112.541 108.800 -0.834 0.000 2.975 257 G HA2 0.517 4.476 3.960 -0.001 0.000 0.291 257 G HA3 0.517 4.476 3.960 -0.001 0.000 0.291 257 G C -3.220 171.495 174.900 -0.309 0.000 1.334 257 G CA -1.832 42.800 45.100 -0.781 0.000 0.843 257 G HN 0.163 nan 8.290 nan 0.000 0.548 258 P HA 0.280 nan 4.420 nan 0.000 0.276 258 P C 0.886 178.290 177.300 0.173 0.000 1.230 258 P CA -0.310 62.874 63.100 0.141 0.000 0.776 258 P CB 1.553 33.479 31.700 0.377 0.000 0.888 259 I N 2.072 122.769 120.570 0.211 0.000 2.264 259 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 259 I C 2.436 178.676 176.117 0.205 0.000 1.111 259 I CA 2.060 63.487 61.300 0.213 0.000 1.382 259 I CB -0.803 37.367 38.000 0.283 0.000 1.060 259 I HN 0.501 nan 8.210 nan 0.000 0.418 260 G N -0.121 108.854 108.800 0.291 0.000 2.509 260 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 260 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 260 G C 1.520 176.645 174.900 0.375 0.000 1.124 260 G CA 0.056 45.338 45.100 0.304 0.000 0.776 260 G HN 0.314 nan 8.290 nan 0.000 0.547 261 F N 1.940 122.002 119.950 0.188 0.000 2.051 261 F HA -0.094 4.433 4.527 -0.001 0.000 0.296 261 F C 2.291 178.126 175.800 0.060 0.000 1.122 261 F CA 1.950 59.923 58.000 -0.045 0.000 1.201 261 F CB 0.047 38.905 39.000 -0.238 0.000 0.978 261 F HN 0.081 nan 8.300 nan 0.000 0.472 262 D N 0.020 120.530 120.400 0.184 0.000 2.149 262 D HA -0.170 4.470 4.640 -0.001 0.000 0.198 262 D C 2.486 178.790 176.300 0.008 0.000 0.990 262 D CA 1.641 55.698 54.000 0.095 0.000 0.839 262 D CB -0.686 40.216 40.800 0.170 0.000 0.948 262 D HN 0.234 nan 8.370 nan 0.000 0.460 263 V N 0.895 120.800 119.914 -0.015 0.000 2.295 263 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 263 V C 2.580 178.702 176.094 0.047 0.000 1.049 263 V CA 2.062 64.346 62.300 -0.027 0.000 1.024 263 V CB -1.130 30.580 31.823 -0.190 0.000 0.648 263 V HN 0.248 nan 8.190 nan 0.000 0.447 264 G N -1.420 107.391 108.800 0.018 0.000 2.418 264 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 264 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 264 G C 1.544 176.404 174.900 -0.066 0.000 1.158 264 G CA 0.690 45.794 45.100 0.005 0.000 0.771 264 G HN 0.513 nan 8.290 nan 0.000 0.545 265 Q N -0.952 118.719 119.800 -0.214 0.000 2.119 265 Q HA -0.040 4.300 4.340 -0.001 0.000 0.201 265 Q C 2.195 178.166 176.000 -0.049 0.000 0.972 265 Q CA 0.953 56.630 55.803 -0.211 0.000 0.847 265 Q CB -0.202 28.323 28.738 -0.355 0.000 0.903 265 Q HN 0.582 nan 8.270 nan 0.000 0.433 266 F N 0.928 120.798 119.950 -0.132 0.000 2.113 266 F HA -0.208 4.319 4.527 -0.001 0.000 0.297 266 F C 1.959 177.704 175.800 -0.092 0.000 1.103 266 F CA 1.178 59.111 58.000 -0.111 0.000 1.248 266 F CB -0.040 38.892 39.000 -0.115 0.000 0.999 266 F HN -0.046 nan 8.300 nan 0.000 0.475 267 I N 0.483 120.984 120.570 -0.116 0.000 2.208 267 I HA -0.355 3.814 4.170 -0.001 0.000 0.245 267 I C 2.708 178.727 176.117 -0.163 0.000 1.097 267 I CA 1.265 62.439 61.300 -0.210 0.000 1.363 267 I CB -0.859 37.134 38.000 -0.011 0.000 1.051 267 I HN 0.285 nan 8.210 nan 0.000 0.413 268 A N 0.573 123.389 122.820 -0.008 0.000 1.940 268 A HA -0.230 4.090 4.320 -0.001 0.000 0.219 268 A C 2.069 179.625 177.584 -0.047 0.000 1.176 268 A CA 1.889 53.973 52.037 0.079 0.000 0.631 268 A CB -0.717 18.303 19.000 0.032 0.000 0.814 268 A HN 0.481 nan 8.150 nan 0.000 0.446 269 N N -0.333 118.261 118.700 -0.177 0.000 2.354 269 N HA -0.001 4.738 4.740 -0.001 0.000 0.179 269 N C 1.643 176.981 175.510 -0.287 0.000 1.021 269 N CA 0.934 53.865 53.050 -0.199 0.000 0.887 269 N CB -0.156 38.237 38.487 -0.157 0.000 0.974 269 N HN 0.490 nan 8.380 nan 0.000 0.437 270 L N -0.263 120.675 121.223 -0.475 0.000 2.056 270 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 270 L C 1.955 178.583 176.870 -0.404 0.000 1.078 270 L CA 1.005 55.547 54.840 -0.496 0.000 0.749 270 L CB -0.450 41.208 42.059 -0.669 0.000 0.901 270 L HN 0.002 nan 8.230 nan 0.000 0.433 271 F N 0.121 119.872 119.950 -0.331 0.000 2.171 271 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 271 F C 2.301 177.969 175.800 -0.220 0.000 1.090 271 F CA 1.149 58.885 58.000 -0.439 0.000 1.293 271 F CB -0.668 37.961 39.000 -0.617 0.000 1.013 271 F HN -0.078 nan 8.300 nan 0.000 0.486 272 L N -0.303 120.929 121.223 0.015 0.000 2.042 272 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 272 L C 2.482 179.330 176.870 -0.037 0.000 1.076 272 L CA 1.550 56.385 54.840 -0.008 0.000 0.749 272 L CB -0.693 41.336 42.059 -0.050 0.000 0.893 272 L HN 0.244 nan 8.230 nan 0.000 0.432 273 N N 0.131 118.779 118.700 -0.087 0.000 2.188 273 N HA -0.176 4.563 4.740 -0.001 0.000 0.184 273 N C 1.894 177.344 175.510 -0.099 0.000 1.018 273 N CA 1.222 54.216 53.050 -0.094 0.000 0.858 273 N CB 0.143 38.561 38.487 -0.114 0.000 0.989 273 N HN 0.316 nan 8.380 nan 0.000 0.426 274 A N 1.762 124.502 122.820 -0.133 0.000 1.917 274 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 274 A C 2.335 179.920 177.584 0.002 0.000 1.182 274 A CA 1.048 52.993 52.037 -0.153 0.000 0.633 274 A CB -0.847 18.011 19.000 -0.236 0.000 0.819 274 A HN 0.351 nan 8.150 nan 0.000 0.448 275 L N 0.418 121.697 121.223 0.094 0.000 2.201 275 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 275 L C 2.820 179.688 176.870 -0.003 0.000 1.105 275 L CA 1.398 56.286 54.840 0.080 0.000 0.775 275 L CB -0.295 41.816 42.059 0.087 0.000 0.913 275 L HN 0.646 nan 8.230 nan 0.000 0.440 276 S N -1.073 114.612 115.700 -0.025 0.000 2.496 276 S HA 0.031 4.501 4.470 -0.001 0.000 0.224 276 S C 1.108 175.682 174.600 -0.043 0.000 0.996 276 S CA -0.185 57.991 58.200 -0.040 0.000 0.927 276 S CB 0.028 63.202 63.200 -0.043 0.000 0.774 276 S HN 0.305 nan 8.310 nan 0.000 0.524 277 R N 0.737 121.208 120.500 -0.048 0.000 2.607 277 R HA 0.629 4.968 4.340 -0.001 0.000 0.261 277 R C -1.371 174.907 176.300 -0.036 0.000 1.051 277 R CA -0.661 55.407 56.100 -0.054 0.000 1.110 277 R CB 0.342 30.591 30.300 -0.084 0.000 1.158 277 R HN 0.211 nan 8.270 nan 0.000 0.543 278 D N -0.962 119.418 120.400 -0.033 0.000 2.457 278 D HA 0.421 5.061 4.640 -0.001 0.000 0.240 278 D C 0.485 176.779 176.300 -0.011 0.000 1.041 278 D CA 0.517 54.506 54.000 -0.018 0.000 0.861 278 D CB 1.833 42.621 40.800 -0.020 0.000 1.394 278 D HN 0.640 nan 8.370 nan 0.000 0.473 279 G N 1.200 110.006 108.800 0.011 0.000 2.611 279 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.301 279 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.301 279 G C 1.139 176.055 174.900 0.026 0.000 1.233 279 G CA 0.716 45.828 45.100 0.020 0.000 0.993 279 G HN 0.833 nan 8.290 nan 0.000 0.553 280 A N -0.738 122.089 122.820 0.013 0.000 2.121 280 A HA 0.136 4.456 4.320 -0.001 0.000 0.218 280 A C 1.868 179.438 177.584 -0.023 0.000 1.154 280 A CA 2.258 54.301 52.037 0.009 0.000 0.679 280 A CB -0.421 18.580 19.000 0.002 0.000 0.795 280 A HN 0.612 nan 8.150 nan 0.000 0.458 281 D N -0.154 120.223 120.400 -0.039 0.000 2.350 281 D HA -0.084 4.555 4.640 -0.001 0.000 0.216 281 D C 1.881 178.112 176.300 -0.114 0.000 0.968 281 D CA 0.702 54.661 54.000 -0.069 0.000 0.894 281 D CB -0.269 40.494 40.800 -0.062 0.000 0.909 281 D HN 0.490 nan 8.370 nan 0.000 0.520 282 R N 0.412 120.836 120.500 -0.127 0.000 2.193 282 R HA -0.005 4.335 4.340 -0.001 0.000 0.213 282 R C 1.796 177.860 176.300 -0.393 0.000 1.055 282 R CA 0.406 56.329 56.100 -0.295 0.000 0.995 282 R CB 0.146 30.276 30.300 -0.283 0.000 0.893 282 R HN 0.100 nan 8.270 nan 0.000 0.459 283 E N 0.540 120.656 120.200 -0.139 0.000 2.070 283 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 283 E C -0.803 175.725 176.600 -0.119 0.000 1.004 283 E CA 1.444 57.829 56.400 -0.026 0.000 0.805 283 E CB -1.235 28.480 29.700 0.024 0.000 0.744 283 E HN 0.256 nan 8.360 nan 0.000 0.451 284 P HA -0.140 nan 4.420 nan 0.000 0.217 284 P C 1.490 178.589 177.300 -0.335 0.000 1.148 284 P CA 0.917 63.851 63.100 -0.276 0.000 0.828 284 P CB 0.019 31.581 31.700 -0.230 0.000 0.783 285 L N -2.318 118.735 121.223 -0.283 0.000 2.072 285 L HA -0.118 4.222 4.340 -0.001 0.000 0.205 285 L C 2.448 179.162 176.870 -0.261 0.000 1.079 285 L CA 1.823 56.503 54.840 -0.266 0.000 0.752 285 L CB -1.786 40.045 42.059 -0.379 0.000 0.906 285 L HN 0.107 nan 8.230 nan 0.000 0.436 286 Y N 0.343 120.542 120.300 -0.168 0.000 2.181 286 Y HA -0.200 4.350 4.550 -0.001 0.000 0.288 286 Y C 2.679 178.507 175.900 -0.121 0.000 1.146 286 Y CA 0.376 58.386 58.100 -0.150 0.000 1.164 286 Y CB -0.004 38.435 38.460 -0.035 0.000 0.982 286 Y HN 0.218 nan 8.280 nan 0.000 0.515 287 E N -0.335 119.873 120.200 0.013 0.000 2.085 287 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 287 E C 1.865 178.449 176.600 -0.027 0.000 0.994 287 E CA 1.206 57.579 56.400 -0.045 0.000 0.801 287 E CB -0.421 29.194 29.700 -0.142 0.000 0.743 287 E HN 0.608 nan 8.360 nan 0.000 0.453 288 H N 0.402 119.450 119.070 -0.036 0.000 2.353 288 H HA -0.056 4.499 4.556 -0.001 0.000 0.300 288 H C 2.406 177.721 175.328 -0.022 0.000 1.090 288 H CA 0.992 57.026 56.048 -0.024 0.000 1.327 288 H CB -0.441 29.281 29.762 -0.066 0.000 1.383 288 H HN -0.030 nan 8.280 nan 0.000 0.508 289 V N 1.752 121.657 119.914 -0.014 0.000 2.255 289 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 289 V C 2.529 178.674 176.094 0.084 0.000 1.051 289 V CA 2.040 64.281 62.300 -0.098 0.000 1.018 289 V CB -0.581 31.000 31.823 -0.403 0.000 0.641 289 V HN 0.558 nan 8.190 nan 0.000 0.445 290 N N -0.034 118.720 118.700 0.090 0.000 2.036 290 N HA -0.301 4.439 4.740 -0.001 0.000 0.195 290 N C 2.021 177.642 175.510 0.185 0.000 1.037 290 N CA 2.303 55.437 53.050 0.140 0.000 0.855 290 N CB -0.040 38.504 38.487 0.095 0.000 1.033 290 N HN 0.503 nan 8.380 nan 0.000 0.423 291 Q N 0.761 120.655 119.800 0.156 0.000 2.167 291 Q HA -0.013 4.327 4.340 -0.001 0.000 0.202 291 Q C 1.982 178.090 176.000 0.179 0.000 0.970 291 Q CA 0.890 56.785 55.803 0.154 0.000 0.855 291 Q CB -0.426 28.399 28.738 0.145 0.000 0.911 291 Q HN 0.268 nan 8.270 nan 0.000 0.438 292 V N 0.065 120.116 119.914 0.228 0.000 2.358 292 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 292 V C 1.750 177.989 176.094 0.242 0.000 1.047 292 V CA 1.906 64.350 62.300 0.240 0.000 1.035 292 V CB -0.456 31.582 31.823 0.358 0.000 0.658 292 V HN 0.729 nan 8.190 nan 0.000 0.452 293 W N 0.730 122.131 121.300 0.168 0.000 2.354 293 W HA -0.190 4.469 4.660 -0.001 0.000 0.315 293 W C 2.291 178.927 176.519 0.196 0.000 1.206 293 W CA 2.073 59.537 57.345 0.197 0.000 1.290 293 W CB -0.312 29.252 29.460 0.174 0.000 1.152 293 W HN 0.390 nan 8.180 nan 0.000 0.489 294 E N -0.442 119.825 120.200 0.112 0.000 2.058 294 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 294 E C 2.042 178.590 176.600 -0.086 0.000 0.997 294 E CA 2.600 59.005 56.400 0.008 0.000 0.801 294 E CB -0.193 29.562 29.700 0.093 0.000 0.746 294 E HN 0.129 nan 8.360 nan 0.000 0.450 295 T N 0.589 115.135 114.554 -0.013 0.000 2.777 295 T HA -0.147 4.203 4.350 -0.001 0.000 0.266 295 T C 1.435 176.099 174.700 -0.060 0.000 1.040 295 T CA 1.132 63.226 62.100 -0.010 0.000 1.141 295 T CB -0.440 68.464 68.868 0.059 0.000 0.868 295 T HN 0.252 nan 8.240 nan 0.000 0.444 296 F N 2.397 122.215 119.950 -0.220 0.000 2.069 296 F HA -0.136 4.390 4.527 -0.001 0.000 0.298 296 F C 2.436 178.012 175.800 -0.374 0.000 1.113 296 F CA 1.915 59.745 58.000 -0.284 0.000 1.214 296 F CB -0.417 38.343 39.000 -0.401 0.000 0.978 296 F HN 0.207 nan 8.300 nan 0.000 0.474 297 E N 0.350 120.090 120.200 -0.767 0.000 2.077 297 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 297 E C 2.106 178.430 176.600 -0.461 0.000 0.989 297 E CA 1.667 57.605 56.400 -0.771 0.000 0.800 297 E CB -0.490 28.843 29.700 -0.613 0.000 0.746 297 E HN 0.774 nan 8.360 nan 0.000 0.452 298 E N -0.350 119.663 120.200 -0.311 0.000 2.107 298 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 298 E C 1.927 178.408 176.600 -0.199 0.000 0.982 298 E CA 1.552 57.830 56.400 -0.203 0.000 0.809 298 E CB -0.290 29.337 29.700 -0.122 0.000 0.756 298 E HN 0.104 nan 8.360 nan 0.000 0.459 299 T N 0.603 115.034 114.554 -0.206 0.000 2.737 299 T HA -0.126 4.223 4.350 -0.001 0.000 0.265 299 T C 1.320 175.876 174.700 -0.239 0.000 1.038 299 T CA 1.265 63.269 62.100 -0.160 0.000 1.144 299 T CB -0.501 68.322 68.868 -0.075 0.000 0.866 299 T HN 0.236 nan 8.240 nan 0.000 0.434 300 F N 1.904 121.527 119.950 -0.544 0.000 2.161 300 F HA -0.142 4.385 4.527 -0.001 0.000 0.300 300 F C 2.515 178.014 175.800 -0.502 0.000 1.089 300 F CA 1.085 58.738 58.000 -0.579 0.000 1.282 300 F CB -0.235 38.213 39.000 -0.920 0.000 1.010 300 F HN 0.045 nan 8.300 nan 0.000 0.485 301 S N -0.098 115.447 115.700 -0.257 0.000 2.387 301 S HA -0.134 4.335 4.470 -0.001 0.000 0.226 301 S C 2.264 176.713 174.600 -0.251 0.000 1.026 301 S CA 1.204 59.244 58.200 -0.266 0.000 0.972 301 S CB -0.690 62.370 63.200 -0.233 0.000 0.814 301 S HN 0.617 nan 8.310 nan 0.000 0.477 302 E N 1.466 121.523 120.200 -0.239 0.000 2.077 302 E HA 0.033 4.383 4.350 -0.001 0.000 0.193 302 E C 2.158 178.595 176.600 -0.272 0.000 0.989 302 E CA 1.399 57.686 56.400 -0.188 0.000 0.800 302 E CB -1.159 28.463 29.700 -0.129 0.000 0.746 302 E HN 0.581 nan 8.360 nan 0.000 0.452 303 A N 0.065 122.599 122.820 -0.478 0.000 1.877 303 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 303 A C 2.234 179.079 177.584 -1.232 0.000 1.186 303 A CA 1.703 53.252 52.037 -0.814 0.000 0.620 303 A CB -0.891 17.401 19.000 -1.179 0.000 0.822 303 A HN 0.791 nan 8.150 nan 0.000 0.443 304 W N 1.054 121.420 121.300 -1.557 0.000 2.317 304 W HA -0.250 4.410 4.660 -0.001 0.000 0.318 304 W C 2.087 178.361 176.519 -0.410 0.000 1.227 304 W CA 2.296 59.056 57.345 -0.974 0.000 1.269 304 W CB -0.735 28.302 29.460 -0.704 0.000 1.155 304 W HN 0.570 nan 8.180 nan 0.000 0.484 305 Q N -0.014 119.813 119.800 0.044 0.000 2.084 305 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 305 Q C 2.348 178.332 176.000 -0.027 0.000 0.978 305 Q CA 1.958 57.799 55.803 0.063 0.000 0.844 305 Q CB -0.488 28.269 28.738 0.031 0.000 0.898 305 Q HN 0.270 nan 8.270 nan 0.000 0.426 306 K N 0.082 120.434 120.400 -0.081 0.000 2.137 306 K HA -0.094 4.226 4.320 -0.001 0.000 0.202 306 K C 0.380 176.977 176.600 -0.004 0.000 1.052 306 K CA 1.090 57.356 56.287 -0.035 0.000 0.961 306 K CB 0.514 33.000 32.500 -0.023 0.000 0.741 306 K HN 0.067 nan 8.250 nan 0.000 0.452 307 D N 0.320 120.706 120.400 -0.023 0.000 2.563 307 D HA 0.039 4.678 4.640 -0.001 0.000 0.237 307 D C -0.697 175.699 176.300 0.159 0.000 1.282 307 D CA 0.035 54.108 54.000 0.122 0.000 0.816 307 D CB 1.038 42.041 40.800 0.339 0.000 1.066 307 D HN -0.022 nan 8.370 nan 0.000 0.501 308 S N 0.523 116.242 115.700 0.031 0.000 2.565 308 S HA 0.261 4.730 4.470 -0.001 0.000 0.276 308 S C 1.288 175.848 174.600 -0.067 0.000 1.326 308 S CA -0.364 57.806 58.200 -0.050 0.000 1.045 308 S CB 0.684 63.627 63.200 -0.428 0.000 0.918 308 S HN 0.148 nan 8.310 nan 0.000 0.505 309 L N 2.302 123.486 121.223 -0.066 0.000 2.585 309 L HA 0.273 4.612 4.340 -0.001 0.000 0.226 309 L C 0.469 177.313 176.870 -0.044 0.000 1.113 309 L CA -0.056 54.758 54.840 -0.043 0.000 0.876 309 L CB -0.125 41.913 42.059 -0.035 0.000 1.072 309 L HN 0.550 nan 8.230 nan 0.000 0.468 310 D N 0.576 120.943 120.400 -0.054 0.000 2.317 310 D HA 0.085 4.725 4.640 -0.001 0.000 0.252 310 D C 1.359 177.652 176.300 -0.012 0.000 1.174 310 D CA -0.144 53.858 54.000 0.004 0.000 0.866 310 D CB 1.752 42.587 40.800 0.058 0.000 1.127 310 D HN -0.023 nan 8.370 nan 0.000 0.467 311 V N 2.875 122.751 119.914 -0.064 0.000 2.688 311 V HA -0.228 3.892 4.120 -0.001 0.000 0.256 311 V C 1.558 177.573 176.094 -0.131 0.000 1.084 311 V CA 1.228 63.442 62.300 -0.145 0.000 1.103 311 V CB -1.516 30.149 31.823 -0.264 0.000 0.688 311 V HN 0.595 nan 8.190 nan 0.000 0.480 312 Y N 0.820 121.132 120.300 0.020 0.000 2.544 312 Y HA 0.391 4.941 4.550 -0.001 0.000 0.286 312 Y C 2.673 178.705 175.900 0.220 0.000 1.141 312 Y CA 0.530 58.647 58.100 0.028 0.000 1.299 312 Y CB -0.288 38.090 38.460 -0.137 0.000 1.030 312 Y HN 0.288 nan 8.280 nan 0.000 0.543 313 A N 0.578 123.595 122.820 0.328 0.000 1.978 313 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 313 A C 1.703 179.606 177.584 0.532 0.000 1.170 313 A CA 1.953 54.195 52.037 0.342 0.000 0.636 313 A CB -0.456 18.379 19.000 -0.274 0.000 0.810 313 A HN 0.363 nan 8.150 nan 0.000 0.448 314 N N -0.545 118.338 118.700 0.305 0.000 2.398 314 N HA 0.176 4.916 4.740 -0.001 0.000 0.188 314 N C -0.204 175.440 175.510 0.222 0.000 1.122 314 N CA 0.118 53.313 53.050 0.242 0.000 0.866 314 N CB -0.143 38.422 38.487 0.131 0.000 0.970 314 N HN 0.488 nan 8.380 nan 0.000 0.462 315 I N 0.954 121.690 120.570 0.276 0.000 2.379 315 I HA -0.013 4.157 4.170 -0.001 0.000 0.290 315 I C 0.530 176.778 176.117 0.219 0.000 1.063 315 I CA -0.543 60.888 61.300 0.219 0.000 1.351 315 I CB 0.363 38.493 38.000 0.217 0.000 1.410 315 I HN -0.104 nan 8.210 nan 0.000 0.505 316 D N 5.785 126.271 120.400 0.144 0.000 2.772 316 D HA -0.044 4.596 4.640 -0.001 0.000 0.227 316 D C 1.141 177.508 176.300 0.112 0.000 1.114 316 D CA 1.826 55.888 54.000 0.104 0.000 0.832 316 D CB 0.640 41.483 40.800 0.072 0.000 1.154 316 D HN 0.909 nan 8.370 nan 0.000 0.514 317 G N 3.462 112.314 108.800 0.087 0.000 2.234 317 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.235 317 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.235 317 G C 0.954 175.932 174.900 0.129 0.000 0.997 317 G CA 0.462 45.609 45.100 0.079 0.000 0.623 317 G HN 0.559 nan 8.290 nan 0.000 0.514 318 Y N 1.124 121.453 120.300 0.050 0.000 2.153 318 Y HA 0.244 4.794 4.550 -0.001 0.000 0.289 318 Y C 2.627 178.493 175.900 -0.056 0.000 1.127 318 Y CA 2.055 60.206 58.100 0.084 0.000 1.131 318 Y CB -0.575 38.023 38.460 0.230 0.000 0.995 318 Y HN 0.378 nan 8.280 nan 0.000 0.505 319 L N -0.115 120.868 121.223 -0.400 0.000 2.042 319 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 319 L C 2.115 178.644 176.870 -0.570 0.000 1.076 319 L CA 2.740 56.965 54.840 -1.025 0.000 0.749 319 L CB -1.347 39.989 42.059 -1.203 0.000 0.893 319 L HN 0.272 nan 8.230 nan 0.000 0.432 320 T N -0.452 113.926 114.554 -0.293 0.000 2.708 320 T HA -0.165 4.185 4.350 -0.001 0.000 0.266 320 T C 1.495 176.135 174.700 -0.101 0.000 1.037 320 T CA 1.632 63.635 62.100 -0.162 0.000 1.146 320 T CB -0.393 68.425 68.868 -0.083 0.000 0.865 320 T HN 0.400 nan 8.240 nan 0.000 0.435 321 D N 0.661 121.024 120.400 -0.063 0.000 2.178 321 D HA -0.029 4.611 4.640 -0.001 0.000 0.202 321 D C 2.330 178.633 176.300 0.005 0.000 0.974 321 D CA 0.959 54.967 54.000 0.013 0.000 0.841 321 D CB -0.542 40.309 40.800 0.085 0.000 0.953 321 D HN 0.323 nan 8.370 nan 0.000 0.478 322 T N 1.018 115.484 114.554 -0.147 0.000 2.708 322 T HA -0.080 4.269 4.350 -0.001 0.000 0.266 322 T C 2.223 176.909 174.700 -0.023 0.000 1.037 322 T CA 0.609 62.636 62.100 -0.122 0.000 1.146 322 T CB -0.306 68.320 68.868 -0.403 0.000 0.865 322 T HN 0.119 nan 8.240 nan 0.000 0.435 323 L N 0.925 122.083 121.223 -0.110 0.000 2.079 323 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 323 L C 2.846 179.842 176.870 0.211 0.000 1.081 323 L CA 1.019 55.876 54.840 0.029 0.000 0.752 323 L CB -0.581 41.459 42.059 -0.031 0.000 0.896 323 L HN 0.230 nan 8.230 nan 0.000 0.433 324 S N -1.774 114.009 115.700 0.139 0.000 2.382 324 S HA -0.229 4.240 4.470 -0.001 0.000 0.228 324 S C 1.935 176.675 174.600 0.232 0.000 1.027 324 S CA 1.012 59.319 58.200 0.179 0.000 0.991 324 S CB -0.455 62.816 63.200 0.117 0.000 0.823 324 S HN 0.504 nan 8.310 nan 0.000 0.469 325 H N 0.991 120.138 119.070 0.129 0.000 2.363 325 H HA 0.089 4.644 4.556 -0.001 0.000 0.301 325 H C 2.045 177.466 175.328 0.155 0.000 1.074 325 H CA 1.222 57.344 56.048 0.124 0.000 1.354 325 H CB -0.153 29.680 29.762 0.118 0.000 1.397 325 H HN 0.336 nan 8.280 nan 0.000 0.516 326 I N 0.292 120.964 120.570 0.171 0.000 2.163 326 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 326 I C 2.462 178.700 176.117 0.202 0.000 1.085 326 I CA 1.279 62.693 61.300 0.189 0.000 1.347 326 I CB -0.494 37.673 38.000 0.278 0.000 1.044 326 I HN 0.163 nan 8.210 nan 0.000 0.408 327 F N 1.732 121.731 119.950 0.082 0.000 2.069 327 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 327 F C 2.593 178.234 175.800 -0.265 0.000 1.113 327 F CA 2.254 60.082 58.000 -0.287 0.000 1.214 327 F CB -0.461 38.279 39.000 -0.435 0.000 0.978 327 F HN 0.109 nan 8.300 nan 0.000 0.474 328 E N -0.062 120.024 120.200 -0.190 0.000 2.058 328 E HA -0.258 4.092 4.350 -0.001 0.000 0.194 328 E C 2.189 178.589 176.600 -0.333 0.000 0.997 328 E CA 1.719 57.960 56.400 -0.266 0.000 0.801 328 E CB -0.327 29.306 29.700 -0.110 0.000 0.746 328 E HN 0.593 nan 8.360 nan 0.000 0.450 329 E N -0.093 119.900 120.200 -0.346 0.000 2.077 329 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 329 E C 2.068 178.477 176.600 -0.318 0.000 0.989 329 E CA 0.813 56.962 56.400 -0.418 0.000 0.800 329 E CB -0.145 29.368 29.700 -0.311 0.000 0.746 329 E HN 0.380 nan 8.360 nan 0.000 0.452 330 A N 1.453 124.211 122.820 -0.104 0.000 1.908 330 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 330 A C 2.067 179.558 177.584 -0.155 0.000 1.181 330 A CA 1.276 53.313 52.037 -0.000 0.000 0.627 330 A CB -0.465 18.532 19.000 -0.006 0.000 0.818 330 A HN 0.145 nan 8.150 nan 0.000 0.445 331 I N -0.006 120.321 120.570 -0.405 0.000 2.315 331 I HA -0.148 4.022 4.170 -0.001 0.000 0.248 331 I C 2.659 178.644 176.117 -0.220 0.000 1.117 331 I CA 1.265 62.272 61.300 -0.489 0.000 1.404 331 I CB -2.104 35.445 38.000 -0.752 0.000 1.071 331 I HN 0.327 nan 8.210 nan 0.000 0.419 332 G N 0.544 109.213 108.800 -0.219 0.000 2.421 332 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.216 332 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.216 332 G C 1.537 176.425 174.900 -0.019 0.000 1.171 332 G CA 0.359 45.372 45.100 -0.145 0.000 0.775 332 G HN 0.211 nan 8.290 nan 0.000 0.543 333 F N 1.862 121.861 119.950 0.082 0.000 2.186 333 F HA 0.119 4.645 4.527 -0.001 0.000 0.299 333 F C 2.992 178.760 175.800 -0.053 0.000 1.090 333 F CA 0.273 58.315 58.000 0.069 0.000 1.307 333 F CB -0.795 38.252 39.000 0.078 0.000 1.019 333 F HN 0.250 nan 8.300 nan 0.000 0.489 334 A N 0.360 123.261 122.820 0.136 0.000 1.908 334 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 334 A C 2.629 180.326 177.584 0.189 0.000 1.181 334 A CA 1.871 53.987 52.037 0.132 0.000 0.627 334 A CB -1.554 17.543 19.000 0.161 0.000 0.818 334 A HN 0.396 nan 8.150 nan 0.000 0.445 335 G N -1.032 107.916 108.800 0.246 0.000 2.408 335 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 335 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 335 G C 1.552 176.524 174.900 0.121 0.000 1.150 335 G CA 1.287 46.499 45.100 0.188 0.000 0.776 335 G HN 0.537 nan 8.290 nan 0.000 0.542 336 C N 0.135 119.529 119.300 0.157 0.000 2.429 336 C HA 0.043 4.502 4.460 -0.001 0.000 0.277 336 C C 2.691 177.676 174.990 -0.008 0.000 1.262 336 C CA 1.084 60.195 59.018 0.155 0.000 1.733 336 C CB -0.519 27.284 27.740 0.105 0.000 2.010 336 C HN 0.635 nan 8.230 nan 0.000 0.483 337 E N 1.085 121.254 120.200 -0.051 0.000 2.072 337 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 337 E C 1.955 178.503 176.600 -0.088 0.000 0.985 337 E CA 1.119 57.457 56.400 -0.104 0.000 0.801 337 E CB -0.456 29.167 29.700 -0.128 0.000 0.750 337 E HN 0.577 nan 8.360 nan 0.000 0.452 338 L N 0.033 121.220 121.223 -0.060 0.000 2.013 338 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 338 L C 2.501 179.290 176.870 -0.135 0.000 1.073 338 L CA 1.442 56.226 54.840 -0.093 0.000 0.753 338 L CB -0.373 41.613 42.059 -0.122 0.000 0.890 338 L HN 0.252 nan 8.230 nan 0.000 0.432 339 I N -0.952 119.534 120.570 -0.140 0.000 2.163 339 I HA -0.265 3.904 4.170 -0.001 0.000 0.240 339 I C 2.834 178.821 176.117 -0.216 0.000 1.081 339 I CA 0.975 62.148 61.300 -0.211 0.000 1.353 339 I CB -0.419 37.418 38.000 -0.271 0.000 1.054 339 I HN 0.275 nan 8.210 nan 0.000 0.407 340 R N 1.369 121.762 120.500 -0.178 0.000 2.105 340 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 340 R C 2.026 178.273 176.300 -0.089 0.000 1.135 340 R CA 1.542 57.566 56.100 -0.127 0.000 0.967 340 R CB -0.282 29.955 30.300 -0.104 0.000 0.861 340 R HN 0.227 nan 8.270 nan 0.000 0.442 341 R N -0.088 120.342 120.500 -0.118 0.000 2.236 341 R HA 0.034 4.373 4.340 -0.001 0.000 0.208 341 R C 1.802 177.972 176.300 -0.218 0.000 1.036 341 R CA 1.161 57.190 56.100 -0.117 0.000 1.001 341 R CB -0.346 29.880 30.300 -0.123 0.000 0.896 341 R HN 0.306 nan 8.270 nan 0.000 0.464 342 T N 0.805 115.214 114.554 -0.242 0.000 2.983 342 T HA 0.106 4.456 4.350 -0.001 0.000 0.250 342 T C 1.757 176.246 174.700 -0.351 0.000 1.037 342 T CA 0.852 62.756 62.100 -0.327 0.000 1.142 342 T CB 0.207 68.925 68.868 -0.250 0.000 0.876 342 T HN 0.396 nan 8.240 nan 0.000 0.455 343 I N -1.597 118.880 120.570 -0.156 0.000 4.338 343 I HA 0.529 4.699 4.170 -0.001 0.000 0.329 343 I C 1.026 177.310 176.117 0.279 0.000 1.378 343 I CA -0.654 60.692 61.300 0.077 0.000 1.170 343 I CB 0.071 38.013 38.000 -0.097 0.000 1.206 343 I HN 0.046 nan 8.210 nan 0.000 0.432 344 G N 1.311 110.221 108.800 0.183 0.000 2.508 344 G HA2 0.288 4.247 3.960 -0.001 0.000 0.278 344 G HA3 0.288 4.247 3.960 -0.001 0.000 0.278 344 G C 0.509 175.563 174.900 0.257 0.000 1.389 344 G CA -0.431 44.791 45.100 0.203 0.000 1.050 344 G HN 0.257 nan 8.290 nan 0.000 0.522 345 L N -0.529 120.787 121.223 0.154 0.000 2.056 345 L HA 0.242 4.582 4.340 -0.001 0.000 0.207 345 L C 1.784 178.673 176.870 0.032 0.000 1.078 345 L CA 1.473 56.357 54.840 0.073 0.000 0.749 345 L CB -0.224 41.873 42.059 0.063 0.000 0.901 345 L HN 0.442 nan 8.230 nan 0.000 0.433 346 A N -0.584 122.288 122.820 0.086 0.000 2.280 346 A HA 0.351 4.670 4.320 -0.001 0.000 0.320 346 A C -0.730 176.946 177.584 0.153 0.000 1.366 346 A CA -0.481 51.589 52.037 0.056 0.000 0.938 346 A CB -0.244 18.758 19.000 0.003 0.000 1.157 346 A HN 0.485 nan 8.150 nan 0.000 0.536 347 H N 0.393 119.442 119.070 -0.035 0.000 2.505 347 H HA 0.544 5.100 4.556 -0.001 0.000 0.358 347 H C 0.165 175.453 175.328 -0.066 0.000 1.304 347 H CA -0.651 55.372 56.048 -0.041 0.000 1.393 347 H CB 1.701 31.454 29.762 -0.015 0.000 1.591 347 H HN 0.577 nan 8.280 nan 0.000 0.595 348 V N -1.316 118.624 119.914 0.043 0.000 2.715 348 V HA 0.514 4.634 4.120 -0.001 0.000 0.310 348 V C 0.807 176.907 176.094 0.009 0.000 1.054 348 V CA -0.457 61.837 62.300 -0.009 0.000 0.928 348 V CB 1.222 33.012 31.823 -0.055 0.000 1.007 348 V HN 0.950 nan 8.190 nan 0.000 0.437 349 A N 1.568 124.393 122.820 0.007 0.000 2.015 349 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 349 A C 1.441 179.023 177.584 -0.004 0.000 1.163 349 A CA 1.679 53.723 52.037 0.012 0.000 0.646 349 A CB -0.873 18.134 19.000 0.012 0.000 0.806 349 A HN 1.031 nan 8.150 nan 0.000 0.448 350 D N 0.457 120.846 120.400 -0.019 0.000 2.116 350 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 350 D C 1.750 178.027 176.300 -0.038 0.000 0.998 350 D CA 1.572 55.553 54.000 -0.032 0.000 0.836 350 D CB -0.257 40.517 40.800 -0.044 0.000 0.951 350 D HN 0.471 nan 8.370 nan 0.000 0.449 351 L N 0.092 121.286 121.223 -0.048 0.000 2.127 351 L HA -0.030 4.309 4.340 -0.001 0.000 0.203 351 L C 1.576 178.418 176.870 -0.047 0.000 1.080 351 L CA 0.829 55.628 54.840 -0.068 0.000 0.768 351 L CB -0.209 41.783 42.059 -0.111 0.000 0.924 351 L HN -0.087 nan 8.230 nan 0.000 0.444 352 D N -0.363 120.032 120.400 -0.009 0.000 2.264 352 D HA -0.128 4.512 4.640 -0.001 0.000 0.208 352 D C 2.025 178.344 176.300 0.032 0.000 0.966 352 D CA 1.599 55.621 54.000 0.037 0.000 0.864 352 D CB 0.006 40.864 40.800 0.098 0.000 0.933 352 D HN 0.335 nan 8.370 nan 0.000 0.499 353 T N -2.101 112.462 114.554 0.015 0.000 3.086 353 T HA 0.193 4.542 4.350 -0.001 0.000 0.250 353 T C 0.995 175.698 174.700 0.004 0.000 1.074 353 T CA -0.350 61.759 62.100 0.016 0.000 0.988 353 T CB -0.223 68.652 68.868 0.012 0.000 0.988 353 T HN -0.025 nan 8.240 nan 0.000 0.530 354 I N 3.378 123.940 120.570 -0.013 0.000 2.752 354 I HA 0.203 4.373 4.170 -0.001 0.000 0.289 354 I C 0.314 176.425 176.117 -0.009 0.000 1.197 354 I CA -0.275 61.010 61.300 -0.025 0.000 1.432 354 I CB 0.531 38.498 38.000 -0.054 0.000 1.359 354 I HN 0.170 nan 8.210 nan 0.000 0.571 355 V N 5.000 124.913 119.914 -0.002 0.000 2.914 355 V HA 0.686 4.806 4.120 -0.001 0.000 0.314 355 V C -2.372 173.726 176.094 0.007 0.000 1.084 355 V CA -1.760 60.550 62.300 0.018 0.000 0.963 355 V CB 1.378 33.219 31.823 0.029 0.000 1.025 355 V HN 0.569 nan 8.190 nan 0.000 0.432 356 P HA 0.254 nan 4.420 nan 0.000 0.277 356 P C 0.657 178.009 177.300 0.088 0.000 1.276 356 P CA -0.317 62.822 63.100 0.064 0.000 0.788 356 P CB 0.803 32.541 31.700 0.064 0.000 1.114 357 F N 0.884 120.831 119.950 -0.005 0.000 2.120 357 F HA -0.241 4.285 4.527 -0.001 0.000 0.300 357 F C 1.691 177.488 175.800 -0.006 0.000 1.095 357 F CA 2.090 60.089 58.000 -0.002 0.000 1.249 357 F CB -0.507 38.495 39.000 0.004 0.000 0.995 357 F HN 0.127 nan 8.300 nan 0.000 0.480 358 D N 0.165 120.612 120.400 0.078 0.000 2.178 358 D HA -0.175 4.465 4.640 -0.001 0.000 0.202 358 D C 2.213 178.442 176.300 -0.117 0.000 0.974 358 D CA 1.022 55.006 54.000 -0.028 0.000 0.841 358 D CB -0.370 40.467 40.800 0.062 0.000 0.953 358 D HN 0.328 nan 8.370 nan 0.000 0.478 359 K N 0.763 121.111 120.400 -0.086 0.000 2.097 359 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 359 K C 2.122 178.630 176.600 -0.153 0.000 1.050 359 K CA 0.597 56.824 56.287 -0.100 0.000 0.938 359 K CB 0.149 32.613 32.500 -0.060 0.000 0.718 359 K HN -0.038 nan 8.250 nan 0.000 0.442 360 R N 0.652 121.036 120.500 -0.193 0.000 2.083 360 R HA -0.128 4.212 4.340 -0.001 0.000 0.237 360 R C 2.179 178.298 176.300 -0.302 0.000 1.137 360 R CA 1.474 57.433 56.100 -0.235 0.000 0.951 360 R CB -0.159 29.986 30.300 -0.257 0.000 0.851 360 R HN 0.152 nan 8.270 nan 0.000 0.434 361 I N 0.484 120.803 120.570 -0.420 0.000 2.226 361 I HA -0.158 4.012 4.170 -0.001 0.000 0.245 361 I C 2.476 178.428 176.117 -0.275 0.000 1.100 361 I CA 1.698 62.786 61.300 -0.354 0.000 1.374 361 I CB -1.766 36.022 38.000 -0.354 0.000 1.057 361 I HN 0.407 nan 8.210 nan 0.000 0.413 362 G N 1.026 109.678 108.800 -0.247 0.000 2.418 362 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 362 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 362 G C 1.794 176.540 174.900 -0.256 0.000 1.158 362 G CA 0.253 45.203 45.100 -0.250 0.000 0.771 362 G HN 0.232 nan 8.290 nan 0.000 0.545 363 R N 0.480 120.853 120.500 -0.212 0.000 2.115 363 R HA 0.074 4.414 4.340 -0.001 0.000 0.226 363 R C 2.428 178.602 176.300 -0.209 0.000 1.100 363 R CA 0.755 56.742 56.100 -0.188 0.000 0.980 363 R CB -0.379 29.838 30.300 -0.137 0.000 0.875 363 R HN 0.369 nan 8.270 nan 0.000 0.445 364 K N 0.349 120.612 120.400 -0.228 0.000 2.103 364 K HA -0.070 4.250 4.320 -0.001 0.000 0.204 364 K C 2.158 178.591 176.600 -0.278 0.000 1.052 364 K CA 0.697 56.843 56.287 -0.234 0.000 0.945 364 K CB -0.058 32.311 32.500 -0.219 0.000 0.722 364 K HN 0.049 nan 8.250 nan 0.000 0.443 365 R N 1.398 121.690 120.500 -0.348 0.000 2.073 365 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 365 R C 2.143 178.202 176.300 -0.402 0.000 1.134 365 R CA 1.229 57.045 56.100 -0.474 0.000 0.952 365 R CB -0.285 29.551 30.300 -0.772 0.000 0.850 365 R HN 0.121 nan 8.270 nan 0.000 0.433 366 L N 0.421 121.429 121.223 -0.360 0.000 2.083 366 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 366 L C 2.776 179.443 176.870 -0.338 0.000 1.083 366 L CA 1.257 55.887 54.840 -0.350 0.000 0.752 366 L CB -0.573 41.285 42.059 -0.335 0.000 0.899 366 L HN 0.338 nan 8.230 nan 0.000 0.433 367 A N 0.224 122.883 122.820 -0.267 0.000 1.902 367 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 367 A C 2.266 179.699 177.584 -0.251 0.000 1.181 367 A CA 1.429 53.332 52.037 -0.223 0.000 0.623 367 A CB -0.673 18.223 19.000 -0.174 0.000 0.818 367 A HN 0.356 nan 8.150 nan 0.000 0.443 368 L N -0.945 120.121 121.223 -0.262 0.000 2.046 368 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 368 L C 2.629 179.358 176.870 -0.235 0.000 1.077 368 L CA 1.808 56.499 54.840 -0.249 0.000 0.747 368 L CB -0.552 41.351 42.059 -0.260 0.000 0.896 368 L HN 0.488 nan 8.230 nan 0.000 0.432 369 E N -0.591 119.448 120.200 -0.268 0.000 2.076 369 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 369 E C 2.168 178.600 176.600 -0.281 0.000 0.979 369 E CA 1.644 57.896 56.400 -0.247 0.000 0.807 369 E CB -0.031 29.512 29.700 -0.262 0.000 0.761 369 E HN 0.571 nan 8.360 nan 0.000 0.454 370 T N -1.407 112.907 114.554 -0.401 0.000 2.777 370 T HA -0.080 4.270 4.350 -0.001 0.000 0.266 370 T C 2.130 176.450 174.700 -0.633 0.000 1.040 370 T CA 1.061 62.814 62.100 -0.579 0.000 1.141 370 T CB -0.750 67.636 68.868 -0.804 0.000 0.868 370 T HN 0.187 nan 8.240 nan 0.000 0.444 371 G N 1.225 109.765 108.800 -0.433 0.000 2.440 371 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.218 371 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.218 371 G C 1.710 176.572 174.900 -0.064 0.000 1.154 371 G CA 1.436 46.388 45.100 -0.248 0.000 0.767 371 G HN 0.538 nan 8.290 nan 0.000 0.552 372 T N 1.493 116.002 114.554 -0.075 0.000 2.777 372 T HA 0.069 4.419 4.350 -0.001 0.000 0.266 372 T C 2.839 177.561 174.700 0.038 0.000 1.040 372 T CA 1.447 63.550 62.100 0.005 0.000 1.141 372 T CB -0.358 68.489 68.868 -0.035 0.000 0.868 372 T HN 0.371 nan 8.240 nan 0.000 0.444 373 A N 1.268 124.096 122.820 0.012 0.000 1.902 373 A HA -0.028 4.291 4.320 -0.001 0.000 0.217 373 A C 1.969 179.737 177.584 0.306 0.000 1.181 373 A CA 1.270 53.370 52.037 0.104 0.000 0.623 373 A CB -0.935 18.111 19.000 0.076 0.000 0.818 373 A HN 0.381 nan 8.150 nan 0.000 0.443 374 F N 0.161 120.146 119.950 0.058 0.000 2.069 374 F HA -0.172 4.354 4.527 -0.001 0.000 0.298 374 F C 2.279 178.118 175.800 0.065 0.000 1.113 374 F CA 0.780 58.827 58.000 0.078 0.000 1.214 374 F CB -1.064 37.909 39.000 -0.046 0.000 0.978 374 F HN 0.136 nan 8.300 nan 0.000 0.474 375 I N -0.227 120.481 120.570 0.230 0.000 2.127 375 I HA -0.296 3.873 4.170 -0.001 0.000 0.241 375 I C 2.272 178.424 176.117 0.059 0.000 1.075 375 I CA 1.667 63.034 61.300 0.112 0.000 1.334 375 I CB -0.500 37.565 38.000 0.109 0.000 1.040 375 I HN 0.181 nan 8.210 nan 0.000 0.405 376 E N 0.566 120.801 120.200 0.058 0.000 2.216 376 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 376 E C 1.589 178.167 176.600 -0.037 0.000 0.988 376 E CA 0.725 57.128 56.400 0.005 0.000 0.834 376 E CB 0.112 29.812 29.700 -0.000 0.000 0.772 376 E HN 0.472 nan 8.360 nan 0.000 0.479 377 K N 0.806 121.185 120.400 -0.035 0.000 2.372 377 K HA 0.081 4.400 4.320 -0.001 0.000 0.200 377 K C 1.767 178.180 176.600 -0.311 0.000 1.022 377 K CA -0.169 55.977 56.287 -0.235 0.000 1.125 377 K CB 0.324 32.596 32.500 -0.380 0.000 0.855 377 K HN 0.055 nan 8.250 nan 0.000 0.524 378 R N 0.938 121.420 120.500 -0.030 0.000 2.154 378 R HA -0.156 4.184 4.340 -0.001 0.000 0.248 378 R C 1.843 178.119 176.300 -0.041 0.000 1.155 378 R CA 2.165 58.288 56.100 0.038 0.000 0.979 378 R CB -0.698 29.562 30.300 -0.067 0.000 0.869 378 R HN 0.098 nan 8.270 nan 0.000 0.452 379 S N -0.215 115.426 115.700 -0.098 0.000 2.558 379 S HA 0.043 4.513 4.470 -0.001 0.000 0.217 379 S C 1.311 175.853 174.600 -0.096 0.000 0.975 379 S CA 0.232 58.394 58.200 -0.063 0.000 0.912 379 S CB 0.351 63.528 63.200 -0.039 0.000 0.776 379 S HN 0.533 nan 8.310 nan 0.000 0.526 380 E N 0.298 120.349 120.200 -0.249 0.000 2.170 380 E HA 0.176 4.526 4.350 -0.001 0.000 0.191 380 E C -0.490 175.960 176.600 -0.250 0.000 0.981 380 E CA 0.081 56.305 56.400 -0.293 0.000 0.830 380 E CB -0.055 29.390 29.700 -0.425 0.000 0.775 380 E HN 0.597 nan 8.360 nan 0.000 0.470 381 F N 0.665 120.594 119.950 -0.034 0.000 2.529 381 F HA 0.087 4.613 4.527 -0.001 0.000 0.365 381 F C 1.666 177.545 175.800 0.132 0.000 1.102 381 F CA 0.340 58.353 58.000 0.022 0.000 1.271 381 F CB 0.539 39.510 39.000 -0.049 0.000 1.120 381 F HN -0.090 nan 8.300 nan 0.000 0.579 382 K N 0.955 121.515 120.400 0.267 0.000 2.313 382 K HA 0.251 4.570 4.320 -0.001 0.000 0.197 382 K C 0.617 177.178 176.600 -0.063 0.000 1.061 382 K CA 1.195 57.544 56.287 0.103 0.000 0.980 382 K CB -0.097 32.426 32.500 0.039 0.000 0.888 382 K HN 0.740 nan 8.250 nan 0.000 0.502 383 T N -3.779 110.756 114.554 -0.031 0.000 2.864 383 T HA 0.479 4.829 4.350 -0.001 0.000 0.299 383 T C 0.737 175.388 174.700 -0.081 0.000 1.166 383 T CA -0.097 61.849 62.100 -0.256 0.000 1.007 383 T CB 1.282 70.084 68.868 -0.109 0.000 1.219 383 T HN 0.051 nan 8.240 nan 0.000 0.506 384 I N 1.265 121.710 120.570 -0.209 0.000 2.361 384 I HA -0.067 4.103 4.170 -0.001 0.000 0.251 384 I C 2.308 178.438 176.117 0.023 0.000 1.133 384 I CA 1.947 63.248 61.300 0.001 0.000 1.413 384 I CB -0.687 37.333 38.000 0.033 0.000 1.073 384 I HN 0.908 nan 8.210 nan 0.000 0.424 385 T N 0.364 114.931 114.554 0.021 0.000 2.759 385 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 385 T C 1.584 176.305 174.700 0.036 0.000 1.042 385 T CA 1.672 63.789 62.100 0.028 0.000 1.140 385 T CB -0.401 68.482 68.868 0.024 0.000 0.864 385 T HN 0.398 nan 8.240 nan 0.000 0.455 386 D N 0.818 121.258 120.400 0.067 0.000 2.144 386 D HA -0.053 4.586 4.640 -0.001 0.000 0.199 386 D C 2.303 178.658 176.300 0.092 0.000 0.984 386 D CA 0.674 54.761 54.000 0.144 0.000 0.834 386 D CB -0.417 40.551 40.800 0.281 0.000 0.955 386 D HN 0.229 nan 8.370 nan 0.000 0.465 387 V N 1.456 121.261 119.914 -0.181 0.000 2.261 387 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 387 V C 2.597 178.625 176.094 -0.110 0.000 1.047 387 V CA 1.176 63.118 62.300 -0.597 0.000 1.015 387 V CB -0.413 30.916 31.823 -0.823 0.000 0.642 387 V HN 0.159 nan 8.190 nan 0.000 0.446 388 I N -0.256 120.342 120.570 0.047 0.000 2.163 388 I HA -0.213 3.957 4.170 -0.001 0.000 0.243 388 I C 2.684 178.821 176.117 0.033 0.000 1.085 388 I CA 1.435 62.817 61.300 0.136 0.000 1.347 388 I CB -0.446 37.590 38.000 0.059 0.000 1.044 388 I HN 0.309 nan 8.210 nan 0.000 0.408 389 E N 0.428 120.639 120.200 0.019 0.000 2.106 389 E HA -0.200 4.150 4.350 -0.001 0.000 0.192 389 E C 2.098 178.723 176.600 0.040 0.000 0.984 389 E CA 1.022 57.426 56.400 0.007 0.000 0.806 389 E CB -0.416 29.296 29.700 0.021 0.000 0.750 389 E HN 0.329 nan 8.360 nan 0.000 0.458 390 L N 0.245 121.532 121.223 0.107 0.000 2.017 390 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 390 L C 2.250 179.165 176.870 0.074 0.000 1.073 390 L CA 1.428 56.349 54.840 0.135 0.000 0.745 390 L CB -0.709 41.535 42.059 0.308 0.000 0.894 390 L HN 0.028 nan 8.230 nan 0.000 0.432 391 F N 0.530 120.454 119.950 -0.043 0.000 2.069 391 F HA -0.286 4.241 4.527 -0.001 0.000 0.298 391 F C 2.414 178.133 175.800 -0.135 0.000 1.113 391 F CA 2.115 60.012 58.000 -0.172 0.000 1.214 391 F CB -0.259 38.535 39.000 -0.343 0.000 0.978 391 F HN 0.024 nan 8.300 nan 0.000 0.474 392 K N -0.147 120.282 120.400 0.049 0.000 2.074 392 K HA -0.239 4.080 4.320 -0.001 0.000 0.209 392 K C 1.969 178.519 176.600 -0.083 0.000 1.048 392 K CA 1.795 58.054 56.287 -0.046 0.000 0.926 392 K CB -0.733 31.681 32.500 -0.144 0.000 0.713 392 K HN 0.294 nan 8.250 nan 0.000 0.444 393 L N 1.133 122.307 121.223 -0.081 0.000 1.989 393 L HA -0.188 4.152 4.340 -0.001 0.000 0.211 393 L C 1.942 178.733 176.870 -0.132 0.000 1.071 393 L CA 1.576 56.367 54.840 -0.082 0.000 0.749 393 L CB -0.451 41.577 42.059 -0.052 0.000 0.890 393 L HN 0.035 nan 8.230 nan 0.000 0.431 394 L N -0.695 120.410 121.223 -0.196 0.000 2.131 394 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 394 L C 2.281 178.970 176.870 -0.301 0.000 1.092 394 L CA 1.767 56.450 54.840 -0.261 0.000 0.759 394 L CB -0.979 40.875 42.059 -0.342 0.000 0.903 394 L HN 0.438 nan 8.230 nan 0.000 0.435 395 V N -4.980 114.730 119.914 -0.340 0.000 3.596 395 V HA 0.144 4.264 4.120 -0.001 0.000 0.289 395 V C 1.329 177.338 176.094 -0.143 0.000 1.336 395 V CA -0.492 61.631 62.300 -0.295 0.000 1.137 395 V CB -0.727 30.866 31.823 -0.383 0.000 0.966 395 V HN 0.124 nan 8.190 nan 0.000 0.428 396 K N 0.000 120.332 120.400 -0.113 0.000 2.780 396 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 396 K CA 0.000 56.248 56.287 -0.066 0.000 0.838 396 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 396 K HN 0.000 nan 8.250 nan 0.000 0.543