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 2pun_1_B DATA FIRST_RESID 7 DATA SEQUENCE PLYETLNESS AVALAVKLGL FPSXXTLTCQ EIGDGNLNYV FHIYDQEXXR DATA SEQUENCE ALIIKQAVPX XXXXXXXWPL 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 0.000 177.350 177.300 0.084 0.000 1.155 7 P CA 0.000 63.140 63.100 0.066 0.000 0.800 7 P CB 0.000 31.743 31.700 0.072 0.000 0.726 8 L N 0.921 122.200 121.223 0.094 0.000 2.044 8 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 8 L C 1.378 178.312 176.870 0.107 0.000 1.075 8 L CA 1.244 56.136 54.840 0.087 0.000 0.747 8 L CB -1.554 40.554 42.059 0.082 0.000 0.903 8 L HN 0.692 nan 8.230 nan 0.000 0.435 9 Y N 2.521 122.846 120.300 0.042 0.000 2.944 9 Y HA 0.224 4.774 4.550 -0.000 0.000 0.340 9 Y C 0.759 176.693 175.900 0.057 0.000 1.275 9 Y CA 0.678 58.810 58.100 0.053 0.000 1.590 9 Y CB 0.060 38.550 38.460 0.050 0.000 1.218 9 Y HN 0.657 nan 8.280 nan 0.000 0.576 10 E N 3.919 123.774 120.200 -0.575 0.000 2.308 10 E HA 0.257 4.607 4.350 -0.000 0.000 0.275 10 E C -1.264 174.984 176.600 -0.587 0.000 0.890 10 E CA -1.028 55.124 56.400 -0.414 0.000 0.754 10 E CB 1.441 31.045 29.700 -0.159 0.000 1.207 10 E HN 0.481 nan 8.360 nan 0.000 0.426 11 T N 4.085 118.465 114.554 -0.291 0.000 2.817 11 T HA 0.153 4.502 4.350 -0.000 0.000 0.295 11 T C 0.380 175.068 174.700 -0.020 0.000 0.958 11 T CA -0.035 62.044 62.100 -0.035 0.000 1.157 11 T CB -0.120 68.889 68.868 0.236 0.000 0.898 11 T HN 0.297 nan 8.240 nan 0.000 0.536 12 L N 4.732 125.973 121.223 0.031 0.000 2.436 12 L HA 0.359 4.698 4.340 -0.000 0.000 0.265 12 L C 0.786 177.576 176.870 -0.133 0.000 1.168 12 L CA -0.634 54.159 54.840 -0.079 0.000 0.815 12 L CB 0.492 42.495 42.059 -0.094 0.000 1.109 12 L HN 0.746 nan 8.230 nan 0.000 0.462 13 N N -0.378 118.155 118.700 -0.278 0.000 2.890 13 N HA 0.255 4.995 4.740 -0.000 0.000 0.317 13 N C 0.120 175.300 175.510 -0.550 0.000 1.355 13 N CA -0.876 52.025 53.050 -0.248 0.000 0.803 13 N CB 0.570 38.985 38.487 -0.119 0.000 1.465 13 N HN 0.358 nan 8.380 nan 0.000 0.591 14 E N -0.473 119.578 120.200 -0.248 0.000 2.118 14 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 14 E C 1.939 178.396 176.600 -0.239 0.000 0.992 14 E CA 2.421 58.687 56.400 -0.224 0.000 0.804 14 E CB -0.448 29.259 29.700 0.012 0.000 0.741 14 E HN 0.744 nan 8.360 nan 0.000 0.458 15 S N -0.252 115.342 115.700 -0.177 0.000 2.377 15 S HA -0.050 4.420 4.470 -0.000 0.000 0.223 15 S C 2.083 176.581 174.600 -0.168 0.000 1.030 15 S CA 1.075 59.193 58.200 -0.138 0.000 0.970 15 S CB -0.417 62.729 63.200 -0.090 0.000 0.830 15 S HN 0.103 nan 8.310 nan 0.000 0.473 16 S N 0.914 116.489 115.700 -0.207 0.000 2.370 16 S HA -0.021 4.449 4.470 -0.000 0.000 0.226 16 S C 2.258 176.709 174.600 -0.248 0.000 1.033 16 S CA 1.633 59.710 58.200 -0.206 0.000 1.011 16 S CB -0.473 62.599 63.200 -0.213 0.000 0.852 16 S HN 0.768 nan 8.310 nan 0.000 0.457 17 A N 0.418 122.990 122.820 -0.414 0.000 1.898 17 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 17 A C 2.290 179.769 177.584 -0.175 0.000 1.181 17 A CA 1.618 53.421 52.037 -0.390 0.000 0.620 17 A CB -0.849 17.685 19.000 -0.777 0.000 0.819 17 A HN 0.423 nan 8.150 nan 0.000 0.442 18 V N -0.072 119.750 119.914 -0.155 0.000 2.427 18 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 18 V C 3.042 179.104 176.094 -0.053 0.000 1.051 18 V CA 1.780 64.038 62.300 -0.069 0.000 1.048 18 V CB -1.207 30.567 31.823 -0.081 0.000 0.666 18 V HN 0.606 nan 8.190 nan 0.000 0.456 19 A N -0.025 122.746 122.820 -0.082 0.000 1.908 19 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 19 A C 2.171 179.715 177.584 -0.067 0.000 1.181 19 A CA 2.188 54.183 52.037 -0.069 0.000 0.627 19 A CB -0.580 18.374 19.000 -0.077 0.000 0.818 19 A HN 0.453 nan 8.150 nan 0.000 0.445 20 L N -0.204 120.972 121.223 -0.077 0.000 2.017 20 L HA -0.054 4.285 4.340 -0.000 0.000 0.208 20 L C 2.687 179.507 176.870 -0.083 0.000 1.073 20 L CA 2.305 57.098 54.840 -0.077 0.000 0.745 20 L CB -0.998 41.029 42.059 -0.054 0.000 0.894 20 L HN 0.342 nan 8.230 nan 0.000 0.432 21 A N -1.218 121.582 122.820 -0.032 0.000 1.908 21 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 21 A C 2.321 179.888 177.584 -0.029 0.000 1.181 21 A CA 2.156 54.187 52.037 -0.011 0.000 0.627 21 A CB -1.140 17.948 19.000 0.146 0.000 0.818 21 A HN 0.328 nan 8.150 nan 0.000 0.445 22 V N -0.036 119.883 119.914 0.007 0.000 2.453 22 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 22 V C 3.154 179.215 176.094 -0.055 0.000 1.048 22 V CA 2.368 64.667 62.300 -0.002 0.000 1.049 22 V CB -0.765 31.063 31.823 0.007 0.000 0.672 22 V HN 0.724 nan 8.190 nan 0.000 0.457 23 K N -0.031 120.323 120.400 -0.077 0.000 2.209 23 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 23 K C 1.704 178.219 176.600 -0.141 0.000 1.048 23 K CA 1.610 57.839 56.287 -0.097 0.000 0.940 23 K CB -0.752 31.691 32.500 -0.097 0.000 0.729 23 K HN 0.596 nan 8.250 nan 0.000 0.451 24 L N -0.471 120.641 121.223 -0.186 0.000 2.591 24 L HA 0.242 4.582 4.340 -0.000 0.000 0.228 24 L C 1.706 178.475 176.870 -0.169 0.000 1.133 24 L CA 0.380 55.082 54.840 -0.230 0.000 0.880 24 L CB -0.096 41.763 42.059 -0.333 0.000 1.033 24 L HN 0.524 nan 8.230 nan 0.000 0.450 25 G N 0.490 109.210 108.800 -0.134 0.000 2.187 25 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.261 25 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.261 25 G C 0.840 175.632 174.900 -0.180 0.000 1.000 25 G CA 0.607 45.636 45.100 -0.118 0.000 0.718 25 G HN 0.403 nan 8.290 nan 0.000 0.519 26 L N -1.913 119.141 121.223 -0.281 0.000 2.341 26 L HA 0.342 4.681 4.340 -0.000 0.000 0.214 26 L C 0.715 177.093 176.870 -0.820 0.000 1.115 26 L CA 0.568 55.092 54.840 -0.526 0.000 0.820 26 L CB 0.032 41.724 42.059 -0.612 0.000 0.944 26 L HN 0.268 nan 8.230 nan 0.000 0.452 27 F N -1.589 118.278 119.950 -0.139 0.000 2.529 27 F HA 0.637 5.164 4.527 -0.001 0.000 0.320 27 F C -0.906 174.832 175.800 -0.104 0.000 1.118 27 F CA -0.808 57.116 58.000 -0.126 0.000 0.915 27 F CB 1.156 40.078 39.000 -0.130 0.000 1.161 27 F HN -0.327 nan 8.300 nan 0.000 0.445 28 P HA -0.047 nan 4.420 nan 0.000 0.299 28 P C -0.533 176.786 177.300 0.032 0.000 0.886 28 P CA 1.368 64.501 63.100 0.055 0.000 0.813 28 P CB -1.299 30.475 31.700 0.123 0.000 1.002 33 L N 1.217 122.309 121.223 -0.219 0.000 2.303 33 L HA 0.938 5.278 4.340 -0.000 0.000 0.266 33 L C 0.323 177.107 176.870 -0.145 0.000 1.011 33 L CA -0.927 53.742 54.840 -0.285 0.000 0.818 33 L CB 2.075 43.870 42.059 -0.440 0.000 1.326 33 L HN 0.562 nan 8.230 nan 0.000 0.435 34 T N -0.414 114.082 114.554 -0.096 0.000 2.907 34 T HA 0.588 4.937 4.350 -0.000 0.000 0.292 34 T C -1.636 173.072 174.700 0.014 0.000 1.043 34 T CA -0.369 61.725 62.100 -0.009 0.000 1.003 34 T CB 1.528 70.429 68.868 0.054 0.000 1.084 34 T HN 0.710 nan 8.240 nan 0.000 0.483 35 C N 2.904 122.234 119.300 0.050 0.000 2.608 35 C HA 0.922 5.382 4.460 -0.000 0.000 0.325 35 C C -0.534 174.553 174.990 0.161 0.000 1.147 35 C CA 0.094 59.174 59.018 0.103 0.000 1.359 35 C CB 0.258 28.030 27.740 0.053 0.000 1.912 35 C HN 1.160 nan 8.230 nan 0.000 0.466 36 Q N 3.480 123.421 119.800 0.235 0.000 2.323 36 Q HA 0.625 4.965 4.340 -0.000 0.000 0.271 36 Q C -0.551 175.599 176.000 0.251 0.000 1.048 36 Q CA -0.400 55.534 55.803 0.218 0.000 0.792 36 Q CB 1.636 30.463 28.738 0.148 0.000 1.280 36 Q HN 0.869 nan 8.270 nan 0.000 0.441 37 E N 1.853 122.167 120.200 0.191 0.000 2.299 37 E HA 0.210 4.559 4.350 -0.000 0.000 0.272 37 E C 0.100 176.707 176.600 0.012 0.000 1.043 37 E CA 0.129 56.516 56.400 -0.022 0.000 0.895 37 E CB 0.404 30.037 29.700 -0.113 0.000 1.011 37 E HN 0.800 nan 8.360 nan 0.000 0.432 38 I N 1.487 122.059 120.570 0.003 0.000 3.966 38 I HA 0.412 4.582 4.170 -0.000 0.000 0.324 38 I C 0.740 176.880 176.117 0.038 0.000 1.517 38 I CA -0.754 60.570 61.300 0.039 0.000 1.117 38 I CB 0.673 38.711 38.000 0.063 0.000 1.190 38 I HN 0.323 nan 8.210 nan 0.000 0.466 39 G N 1.004 109.813 108.800 0.014 0.000 2.432 39 G HA2 0.307 4.266 3.960 -0.000 0.000 0.239 39 G HA3 0.307 4.266 3.960 -0.000 0.000 0.239 39 G C 0.581 175.501 174.900 0.032 0.000 1.291 39 G CA 0.502 45.617 45.100 0.026 0.000 0.863 39 G HN 0.444 nan 8.290 nan 0.000 0.560 40 D N 1.330 121.750 120.400 0.034 0.000 2.110 40 D HA 0.209 4.849 4.640 -0.000 0.000 0.202 40 D C 1.598 177.912 176.300 0.023 0.000 0.975 40 D CA 1.256 55.274 54.000 0.030 0.000 0.839 40 D CB -0.615 40.202 40.800 0.028 0.000 0.996 40 D HN 0.822 nan 8.370 nan 0.000 0.464 41 G N -0.051 108.760 108.800 0.019 0.000 2.510 41 G HA2 0.353 4.313 3.960 -0.000 0.000 0.280 41 G HA3 0.353 4.313 3.960 -0.000 0.000 0.280 41 G C 0.591 175.484 174.900 -0.012 0.000 1.386 41 G CA 0.577 45.682 45.100 0.010 0.000 1.047 41 G HN 0.515 nan 8.290 nan 0.000 0.527 42 N N -1.896 116.788 118.700 -0.026 0.000 2.177 42 N HA 0.125 4.865 4.740 -0.000 0.000 0.218 42 N C 1.295 176.742 175.510 -0.106 0.000 1.182 42 N CA 0.632 53.648 53.050 -0.058 0.000 0.882 42 N CB 0.007 38.477 38.487 -0.028 0.000 1.052 42 N HN 0.507 nan 8.380 nan 0.000 0.519 43 L N -0.893 120.279 121.223 -0.085 0.000 2.585 43 L HA 0.445 4.785 4.340 -0.000 0.000 0.226 43 L C 0.455 177.251 176.870 -0.123 0.000 1.113 43 L CA 0.389 55.175 54.840 -0.090 0.000 0.876 43 L CB -0.854 41.184 42.059 -0.035 0.000 1.072 43 L HN 0.200 nan 8.230 nan 0.000 0.468 44 N N -1.693 116.919 118.700 -0.146 0.000 2.277 44 N HA 0.482 5.222 4.740 -0.000 0.000 0.286 44 N C -1.940 173.454 175.510 -0.194 0.000 1.140 44 N CA -0.380 52.591 53.050 -0.131 0.000 0.799 44 N CB 1.892 40.373 38.487 -0.010 0.000 1.596 44 N HN 0.380 nan 8.380 nan 0.000 0.473 45 Y N 0.222 120.511 120.300 -0.019 0.000 2.310 45 Y HA 0.425 4.975 4.550 -0.000 0.000 0.326 45 Y C 0.358 176.121 175.900 -0.228 0.000 1.151 45 Y CA -0.706 57.269 58.100 -0.207 0.000 1.195 45 Y CB 1.365 39.663 38.460 -0.270 0.000 1.210 45 Y HN 0.086 nan 8.280 nan 0.000 0.483 46 V N 4.258 124.061 119.914 -0.185 0.000 2.447 46 V HA 0.288 4.408 4.120 -0.000 0.000 0.292 46 V C -1.049 174.924 176.094 -0.202 0.000 1.021 46 V CA -1.062 61.196 62.300 -0.070 0.000 0.850 46 V CB 0.771 32.627 31.823 0.055 0.000 1.005 46 V HN 0.481 nan 8.190 nan 0.000 0.426 47 F N 3.335 123.403 119.950 0.197 0.000 2.411 47 F HA 0.442 4.969 4.527 -0.000 0.000 0.352 47 F C 0.543 176.468 175.800 0.209 0.000 1.123 47 F CA -0.413 57.689 58.000 0.170 0.000 1.044 47 F CB 0.908 39.978 39.000 0.118 0.000 1.135 47 F HN 0.523 nan 8.300 nan 0.000 0.461 48 H N 5.371 124.607 119.070 0.277 0.000 2.604 48 H HA 0.478 5.033 4.556 -0.000 0.000 0.306 48 H C -0.871 174.595 175.328 0.230 0.000 1.075 48 H CA -0.230 55.956 56.048 0.229 0.000 1.357 48 H CB 0.750 30.611 29.762 0.165 0.000 1.426 48 H HN 0.566 nan 8.280 nan 0.000 0.470 49 I N 6.574 127.043 120.570 -0.169 0.000 2.389 49 I HA 0.128 4.298 4.170 -0.000 0.000 0.288 49 I C -1.126 174.868 176.117 -0.204 0.000 0.999 49 I CA -0.827 60.415 61.300 -0.097 0.000 1.129 49 I CB 1.421 39.474 38.000 0.089 0.000 1.288 49 I HN 0.500 nan 8.210 nan 0.000 0.444 50 Y N 5.408 125.517 120.300 -0.319 0.000 2.485 50 Y HA 0.488 5.037 4.550 -0.000 0.000 0.345 50 Y C -1.067 174.627 175.900 -0.343 0.000 0.998 50 Y CA -0.669 57.272 58.100 -0.265 0.000 1.059 50 Y CB 1.752 40.154 38.460 -0.096 0.000 1.234 50 Y HN 0.465 nan 8.280 nan 0.000 0.461 51 D N 3.963 123.642 120.400 -1.203 0.000 2.481 51 D HA 0.302 4.942 4.640 -0.000 0.000 0.246 51 D C -1.053 174.694 176.300 -0.921 0.000 1.109 51 D CA 0.050 53.498 54.000 -0.920 0.000 0.845 51 D CB 1.406 41.751 40.800 -0.758 0.000 1.160 51 D HN 0.870 nan 8.370 nan 0.000 0.534 52 Q N 1.826 121.367 119.800 -0.432 0.000 2.286 52 Q HA 0.642 4.981 4.340 -0.000 0.000 0.257 52 Q C 0.727 176.643 176.000 -0.140 0.000 0.941 52 Q CA 0.384 56.087 55.803 -0.166 0.000 0.912 52 Q CB -0.490 28.251 28.738 0.005 0.000 1.192 52 Q HN 1.066 nan 8.270 nan 0.000 0.410 57 A N 0.740 123.680 122.820 0.201 0.000 2.593 57 A HA 1.001 5.320 4.320 -0.000 0.000 0.290 57 A C -1.787 175.931 177.584 0.224 0.000 1.126 57 A CA -0.619 51.568 52.037 0.249 0.000 0.695 57 A CB 1.949 21.147 19.000 0.330 0.000 1.290 57 A HN 1.860 nan 8.150 nan 0.000 0.414 58 L N 0.085 121.419 121.223 0.184 0.000 2.582 58 L HA 0.651 4.991 4.340 -0.000 0.000 0.257 58 L C -1.761 175.234 176.870 0.209 0.000 0.974 58 L CA -0.277 54.678 54.840 0.190 0.000 0.851 58 L CB 2.048 44.205 42.059 0.164 0.000 1.424 58 L HN 0.626 nan 8.230 nan 0.000 0.412 59 I N 4.292 125.027 120.570 0.274 0.000 2.433 59 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 59 I C -0.581 175.711 176.117 0.291 0.000 1.001 59 I CA -0.341 61.134 61.300 0.291 0.000 1.119 59 I CB 1.766 39.938 38.000 0.287 0.000 1.289 59 I HN 0.470 nan 8.210 nan 0.000 0.438 60 I N 5.965 126.728 120.570 0.323 0.000 2.411 60 I HA 0.304 4.473 4.170 -0.000 0.000 0.284 60 I C 0.013 176.349 176.117 0.364 0.000 1.012 60 I CA -0.624 60.877 61.300 0.336 0.000 1.119 60 I CB 1.555 39.752 38.000 0.328 0.000 1.261 60 I HN 0.430 nan 8.210 nan 0.000 0.448 61 K N 6.553 127.122 120.400 0.281 0.000 2.183 61 K HA 0.446 4.766 4.320 -0.000 0.000 0.274 61 K C -0.883 175.870 176.600 0.254 0.000 1.009 61 K CA -0.460 55.968 56.287 0.236 0.000 0.888 61 K CB 1.396 34.003 32.500 0.178 0.000 1.078 61 K HN 0.570 nan 8.250 nan 0.000 0.459 62 Q N 2.910 122.875 119.800 0.275 0.000 2.323 62 Q HA 0.443 4.782 4.340 -0.000 0.000 0.271 62 Q C -1.515 174.617 176.000 0.219 0.000 1.048 62 Q CA -0.809 55.170 55.803 0.294 0.000 0.792 62 Q CB 1.998 30.980 28.738 0.408 0.000 1.280 62 Q HN 0.813 nan 8.270 nan 0.000 0.441 63 A N 2.460 125.391 122.820 0.186 0.000 2.440 63 A HA 0.457 4.777 4.320 -0.000 0.000 0.251 63 A C -0.080 177.574 177.584 0.116 0.000 1.089 63 A CA -0.365 51.728 52.037 0.092 0.000 0.779 63 A CB 0.279 19.307 19.000 0.048 0.000 1.022 63 A HN 0.594 nan 8.150 nan 0.000 0.492 64 V N 1.653 121.552 119.914 -0.025 0.000 2.427 64 V HA 0.681 4.801 4.120 -0.000 0.000 0.286 64 V C -2.014 174.049 176.094 -0.053 0.000 1.034 64 V CA -1.782 60.506 62.300 -0.020 0.000 0.893 64 V CB 0.778 32.471 31.823 -0.216 0.000 0.982 64 V HN 0.842 nan 8.190 nan 0.000 0.452 75 P HA 0.786 nan 4.420 nan 0.000 0.281 75 P C -0.558 176.724 177.300 -0.031 0.000 1.252 75 P CA -0.114 62.974 63.100 -0.021 0.000 0.778 75 P CB 1.778 33.466 31.700 -0.020 0.000 0.895 76 L N 1.812 123.009 121.223 -0.043 0.000 2.464 76 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 76 L C 0.784 177.611 176.870 -0.073 0.000 0.965 76 L CA -0.747 54.058 54.840 -0.059 0.000 0.833 76 L CB 2.565 44.584 42.059 -0.067 0.000 1.296 76 L HN 0.525 nan 8.230 nan 0.000 0.405 77 T N -0.812 113.696 114.554 -0.077 0.000 2.748 77 T HA 0.187 4.537 4.350 -0.000 0.000 0.304 77 T C 1.223 175.864 174.700 -0.100 0.000 1.041 77 T CA -0.366 61.679 62.100 -0.090 0.000 1.033 77 T CB 0.609 69.429 68.868 -0.080 0.000 0.995 77 T HN 0.597 nan 8.240 nan 0.000 0.536 78 I N -2.264 118.234 120.570 -0.121 0.000 3.684 78 I HA 0.233 4.403 4.170 -0.000 0.000 0.304 78 I C 1.488 177.565 176.117 -0.068 0.000 1.278 78 I CA 0.396 61.630 61.300 -0.110 0.000 1.272 78 I CB -0.529 37.355 38.000 -0.195 0.000 1.029 78 I HN 0.542 nan 8.210 nan 0.000 0.458 79 D N 2.790 123.149 120.400 -0.069 0.000 2.218 79 D HA -0.214 4.426 4.640 -0.000 0.000 0.204 79 D C 2.390 178.662 176.300 -0.046 0.000 0.976 79 D CA 1.277 55.245 54.000 -0.053 0.000 0.853 79 D CB 0.010 40.776 40.800 -0.056 0.000 0.939 79 D HN 0.500 nan 8.370 nan 0.000 0.481 80 R N 0.264 120.727 120.500 -0.061 0.000 2.185 80 R HA -0.172 4.167 4.340 -0.000 0.000 0.247 80 R C 2.069 178.356 176.300 -0.021 0.000 1.159 80 R CA 1.496 57.557 56.100 -0.065 0.000 0.988 80 R CB -0.693 29.540 30.300 -0.112 0.000 0.871 80 R HN 0.133 nan 8.270 nan 0.000 0.458 81 A N 1.814 124.631 122.820 -0.006 0.000 1.930 81 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 81 A C 2.302 179.898 177.584 0.020 0.000 1.175 81 A CA 1.210 53.262 52.037 0.024 0.000 0.627 81 A CB -0.537 18.492 19.000 0.048 0.000 0.815 81 A HN 0.437 nan 8.150 nan 0.000 0.443 82 R N -0.199 120.300 120.500 -0.001 0.000 2.075 82 R HA -0.092 4.247 4.340 -0.000 0.000 0.232 82 R C 1.750 178.050 176.300 -0.000 0.000 1.126 82 R CA 1.565 57.653 56.100 -0.019 0.000 0.963 82 R CB -0.293 29.979 30.300 -0.047 0.000 0.858 82 R HN 0.420 nan 8.270 nan 0.000 0.435 83 I N 1.426 122.011 120.570 0.025 0.000 2.179 83 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 83 I C 2.393 178.615 176.117 0.174 0.000 1.088 83 I CA 1.488 62.864 61.300 0.126 0.000 1.357 83 I CB -1.324 36.755 38.000 0.132 0.000 1.051 83 I HN 0.400 nan 8.210 nan 0.000 0.409 84 E N 1.065 121.324 120.200 0.097 0.000 2.038 84 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 84 E C 2.322 178.980 176.600 0.098 0.000 1.000 84 E CA 2.039 58.492 56.400 0.088 0.000 0.803 84 E CB 0.181 29.919 29.700 0.064 0.000 0.750 84 E HN 0.373 nan 8.360 nan 0.000 0.448 85 S N 0.313 116.058 115.700 0.075 0.000 2.353 85 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 85 S C 2.195 176.848 174.600 0.089 0.000 1.035 85 S CA 1.423 59.657 58.200 0.057 0.000 1.025 85 S CB -0.337 62.871 63.200 0.012 0.000 0.902 85 S HN 0.214 nan 8.310 nan 0.000 0.440 86 S N 1.636 117.413 115.700 0.128 0.000 2.368 86 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 86 S C 2.292 177.109 174.600 0.361 0.000 1.030 86 S CA 0.934 59.261 58.200 0.213 0.000 0.999 86 S CB -0.567 62.709 63.200 0.126 0.000 0.844 86 S HN 0.602 nan 8.310 nan 0.000 0.459 87 A N 1.421 124.474 122.820 0.388 0.000 1.902 87 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 87 A C 2.116 179.771 177.584 0.117 0.000 1.181 87 A CA 1.083 53.232 52.037 0.186 0.000 0.623 87 A CB -0.738 18.333 19.000 0.119 0.000 0.818 87 A HN 0.442 nan 8.150 nan 0.000 0.443 88 L N -0.518 120.777 121.223 0.120 0.000 2.083 88 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 88 L C 2.465 179.379 176.870 0.073 0.000 1.083 88 L CA 1.187 56.087 54.840 0.100 0.000 0.752 88 L CB -0.387 41.719 42.059 0.077 0.000 0.899 88 L HN 0.426 nan 8.230 nan 0.000 0.433 89 I N -1.005 119.607 120.570 0.069 0.000 2.233 89 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 89 I C 2.737 178.878 176.117 0.040 0.000 1.093 89 I CA 1.012 62.336 61.300 0.040 0.000 1.380 89 I CB -0.352 37.673 38.000 0.041 0.000 1.067 89 I HN 0.215 nan 8.210 nan 0.000 0.413 90 R N 0.620 121.170 120.500 0.082 0.000 2.083 90 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 90 R C 2.345 178.679 176.300 0.057 0.000 1.137 90 R CA 1.682 57.825 56.100 0.071 0.000 0.951 90 R CB -0.325 30.024 30.300 0.082 0.000 0.851 90 R HN 0.487 nan 8.270 nan 0.000 0.434 91 Q N -0.975 118.866 119.800 0.067 0.000 2.096 91 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 91 Q C 2.059 178.095 176.000 0.060 0.000 0.982 91 Q CA 1.505 57.356 55.803 0.081 0.000 0.850 91 Q CB -0.246 28.586 28.738 0.157 0.000 0.901 91 Q HN 0.463 nan 8.270 nan 0.000 0.422 92 G N 0.494 109.312 108.800 0.031 0.000 2.625 92 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.214 92 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.214 92 G C 0.832 175.688 174.900 -0.073 0.000 1.132 92 G CA 0.314 45.411 45.100 -0.006 0.000 0.782 92 G HN 0.343 nan 8.290 nan 0.000 0.538 93 E N -0.739 119.358 120.200 -0.172 0.000 2.358 93 E HA -0.000 4.349 4.350 -0.000 0.000 0.195 93 E C 1.610 177.887 176.600 -0.539 0.000 1.010 93 E CA 0.643 56.823 56.400 -0.366 0.000 0.856 93 E CB 0.076 29.483 29.700 -0.489 0.000 0.795 93 E HN 0.693 nan 8.360 nan 0.000 0.504 94 H N -1.472 117.556 119.070 -0.071 0.000 2.521 94 H HA 0.091 4.647 4.556 -0.000 0.000 0.267 94 H C 0.546 175.861 175.328 -0.022 0.000 0.963 94 H CA 0.389 56.372 56.048 -0.108 0.000 1.175 94 H CB 1.093 30.774 29.762 -0.134 0.000 1.450 94 H HN -0.016 nan 8.280 nan 0.000 0.472 95 V N -0.161 119.803 119.914 0.084 0.000 2.454 95 V HA 0.296 4.416 4.120 -0.000 0.000 0.255 95 V C -2.333 173.744 176.094 -0.027 0.000 1.009 95 V CA -1.456 60.845 62.300 0.002 0.000 1.149 95 V CB 1.140 32.923 31.823 -0.065 0.000 1.418 95 V HN 0.078 nan 8.190 nan 0.000 0.567 96 P HA -0.133 nan 4.420 nan 0.000 0.223 96 P C 1.209 178.559 177.300 0.084 0.000 1.151 96 P CA 1.588 64.730 63.100 0.069 0.000 0.787 96 P CB -0.088 31.655 31.700 0.072 0.000 0.788 97 H N -1.152 117.925 119.070 0.011 0.000 2.551 97 H HA 0.198 4.754 4.556 -0.001 0.000 0.266 97 H C 1.319 176.635 175.328 -0.019 0.000 0.977 97 H CA 0.247 56.289 56.048 -0.011 0.000 1.163 97 H CB -0.724 29.016 29.762 -0.038 0.000 1.381 97 H HN 0.192 nan 8.280 nan 0.000 0.581 98 L N 1.268 122.312 121.223 -0.298 0.000 2.906 98 L HA 0.226 4.566 4.340 -0.000 0.000 0.255 98 L C -0.053 176.784 176.870 -0.055 0.000 1.166 98 L CA -0.326 54.392 54.840 -0.204 0.000 0.977 98 L CB 1.109 43.042 42.059 -0.210 0.000 1.313 98 L HN 0.093 nan 8.230 nan 0.000 0.549 99 V N -4.416 115.499 119.914 0.002 0.000 3.007 99 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 99 V C -2.775 173.338 176.094 0.033 0.000 1.120 99 V CA -2.299 60.028 62.300 0.044 0.000 0.980 99 V CB 1.701 33.597 31.823 0.122 0.000 1.033 99 V HN -0.156 nan 8.190 nan 0.000 0.429 100 P HA 0.236 nan 4.420 nan 0.000 0.268 100 P C -0.490 176.779 177.300 -0.053 0.000 1.205 100 P CA -0.032 63.082 63.100 0.024 0.000 0.771 100 P CB 0.488 32.225 31.700 0.061 0.000 0.858 101 R N 1.290 121.711 120.500 -0.132 0.000 2.590 101 R HA 0.304 4.644 4.340 -0.000 0.000 0.274 101 R C -0.272 175.675 176.300 -0.589 0.000 1.061 101 R CA -0.473 55.430 56.100 -0.330 0.000 1.081 101 R CB 0.365 30.433 30.300 -0.386 0.000 0.984 101 R HN 0.305 nan 8.270 nan 0.000 0.448 102 V N 4.589 124.200 119.914 -0.505 0.000 2.398 102 V HA 0.187 4.306 4.120 -0.000 0.000 0.286 102 V C 0.142 175.972 176.094 -0.440 0.000 1.026 102 V CA -0.212 61.857 62.300 -0.386 0.000 0.868 102 V CB 1.268 33.014 31.823 -0.128 0.000 0.982 102 V HN 0.719 nan 8.190 nan 0.000 0.443 103 F N 3.396 123.395 119.950 0.082 0.000 2.678 103 F HA 0.368 4.894 4.527 -0.001 0.000 0.291 103 F C 0.367 176.267 175.800 0.167 0.000 1.123 103 F CA -0.058 57.992 58.000 0.083 0.000 1.395 103 F CB 0.413 39.436 39.000 0.039 0.000 1.121 103 F HN 0.468 nan 8.300 nan 0.000 0.592 104 Y N 0.010 120.400 120.300 0.151 0.000 2.573 104 Y HA 0.456 5.006 4.550 -0.000 0.000 0.328 104 Y C -1.097 174.853 175.900 0.083 0.000 1.170 104 Y CA -1.423 56.737 58.100 0.101 0.000 1.078 104 Y CB 1.249 39.768 38.460 0.099 0.000 1.341 104 Y HN -0.128 nan 8.280 nan 0.000 0.459 105 S N 3.119 118.410 115.700 -0.681 0.000 2.556 105 S HA 0.719 5.189 4.470 -0.000 0.000 0.271 105 S C -2.030 172.098 174.600 -0.785 0.000 1.135 105 S CA -0.698 57.182 58.200 -0.532 0.000 0.858 105 S CB 2.444 65.519 63.200 -0.208 0.000 1.114 105 S HN 0.708 nan 8.310 nan 0.000 0.468 106 D N -0.125 120.040 120.400 -0.392 0.000 2.966 106 D HA 0.493 5.133 4.640 -0.000 0.000 0.222 106 D C 0.566 176.839 176.300 -0.045 0.000 1.292 106 D CA -0.354 53.519 54.000 -0.212 0.000 0.907 106 D CB 1.974 42.724 40.800 -0.084 0.000 1.621 106 D HN 0.434 nan 8.370 nan 0.000 0.557 107 T N 1.800 116.337 114.554 -0.028 0.000 2.770 107 T HA -0.029 4.321 4.350 -0.000 0.000 0.263 107 T C 1.944 176.677 174.700 0.055 0.000 1.039 107 T CA 1.862 63.964 62.100 0.004 0.000 1.142 107 T CB -0.187 68.670 68.868 -0.018 0.000 0.868 107 T HN 0.565 nan 8.240 nan 0.000 0.435 108 E N 1.663 121.906 120.200 0.072 0.000 2.077 108 E HA -0.037 4.312 4.350 -0.000 0.000 0.193 108 E C 1.990 178.737 176.600 0.244 0.000 0.989 108 E CA 1.189 57.661 56.400 0.120 0.000 0.800 108 E CB -0.709 29.052 29.700 0.101 0.000 0.746 108 E HN 0.319 nan 8.360 nan 0.000 0.452 109 M N -1.150 118.581 119.600 0.217 0.000 2.562 109 M HA 0.365 4.845 4.480 -0.000 0.000 0.257 109 M C 1.641 178.158 176.300 0.361 0.000 1.099 109 M CA 0.911 56.366 55.300 0.258 0.000 1.099 109 M CB -0.291 32.393 32.600 0.140 0.000 1.427 109 M HN 0.748 nan 8.290 nan 0.000 0.489 110 A N 0.767 123.740 122.820 0.256 0.000 2.739 110 A HA -0.111 4.209 4.320 -0.000 0.000 0.296 110 A C -0.014 177.683 177.584 0.190 0.000 1.488 110 A CA 0.291 52.447 52.037 0.199 0.000 0.746 110 A CB -2.082 17.045 19.000 0.213 0.000 1.047 110 A HN 0.243 nan 8.150 nan 0.000 0.477 111 V N 0.610 120.614 119.914 0.149 0.000 2.540 111 V HA 0.707 4.827 4.120 -0.000 0.000 0.302 111 V C 0.345 176.507 176.094 0.113 0.000 1.035 111 V CA 0.164 62.566 62.300 0.169 0.000 0.873 111 V CB 2.256 34.208 31.823 0.215 0.000 0.992 111 V HN 0.644 nan 8.190 nan 0.000 0.428 112 T N 4.511 119.151 114.554 0.143 0.000 2.786 112 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 112 T C -0.485 174.331 174.700 0.192 0.000 0.992 112 T CA -0.369 61.805 62.100 0.124 0.000 0.954 112 T CB 1.476 70.403 68.868 0.098 0.000 0.934 112 T HN 0.314 nan 8.240 nan 0.000 0.440 113 V N 6.108 126.161 119.914 0.231 0.000 2.370 113 V HA 0.663 4.783 4.120 -0.000 0.000 0.279 113 V C 0.162 176.428 176.094 0.288 0.000 1.029 113 V CA -0.602 61.878 62.300 0.301 0.000 0.870 113 V CB 0.696 32.742 31.823 0.372 0.000 0.984 113 V HN 0.946 nan 8.190 nan 0.000 0.451 114 M N 1.980 121.763 119.600 0.305 0.000 2.716 114 M HA 0.686 5.165 4.480 -0.000 0.000 0.278 114 M C -0.438 176.082 176.300 0.366 0.000 1.281 114 M CA -0.844 54.555 55.300 0.165 0.000 0.814 114 M CB 2.036 34.686 32.600 0.084 0.000 1.719 114 M HN 0.478 nan 8.290 nan 0.000 0.457 115 E N 1.582 121.907 120.200 0.208 0.000 2.502 115 E HA -0.058 4.291 4.350 -0.000 0.000 0.261 115 E C -1.100 175.659 176.600 0.264 0.000 0.974 115 E CA 0.153 56.756 56.400 0.339 0.000 0.936 115 E CB 0.555 30.349 29.700 0.158 0.000 0.926 115 E HN 0.630 nan 8.360 nan 0.000 0.459 116 D N 4.125 124.694 120.400 0.282 0.000 2.348 116 D HA 0.061 4.701 4.640 -0.000 0.000 0.253 116 D C -0.198 176.213 176.300 0.185 0.000 1.161 116 D CA 0.069 54.224 54.000 0.258 0.000 0.876 116 D CB 0.582 41.579 40.800 0.330 0.000 1.160 116 D HN 0.424 nan 8.370 nan 0.000 0.459 117 L N 3.187 124.411 121.223 0.002 0.000 3.218 117 L HA 0.181 4.520 4.340 -0.000 0.000 0.279 117 L C 1.432 177.949 176.870 -0.588 0.000 1.287 117 L CA -0.240 54.425 54.840 -0.291 0.000 1.024 117 L CB 0.303 42.026 42.059 -0.561 0.000 1.409 117 L HN 0.305 nan 8.230 nan 0.000 0.580 118 S N -0.495 115.096 115.700 -0.181 0.000 2.474 118 S HA -0.117 4.352 4.470 -0.000 0.000 0.235 118 S C 1.873 176.401 174.600 -0.119 0.000 0.997 118 S CA 0.851 58.936 58.200 -0.192 0.000 0.949 118 S CB -0.333 62.762 63.200 -0.175 0.000 0.766 118 S HN 0.610 nan 8.310 nan 0.000 0.517 119 H N 0.361 119.348 119.070 -0.139 0.000 2.547 119 H HA 0.261 4.817 4.556 -0.001 0.000 0.272 119 H C 0.611 175.904 175.328 -0.059 0.000 0.989 119 H CA 0.120 56.126 56.048 -0.070 0.000 1.214 119 H CB -0.400 29.346 29.762 -0.027 0.000 1.389 119 H HN 0.315 nan 8.280 nan 0.000 0.577 120 L N 0.694 121.554 121.223 -0.604 0.000 2.365 120 L HA 0.401 4.741 4.340 -0.000 0.000 0.267 120 L C 0.306 177.146 176.870 -0.052 0.000 1.033 120 L CA -0.914 53.694 54.840 -0.387 0.000 0.802 120 L CB 1.618 43.346 42.059 -0.551 0.000 1.267 120 L HN -0.008 nan 8.230 nan 0.000 0.457 121 K N 1.016 121.501 120.400 0.142 0.000 2.316 121 K HA 0.416 4.735 4.320 -0.000 0.000 0.251 121 K C -0.793 175.945 176.600 0.229 0.000 0.934 121 K CA -0.874 55.553 56.287 0.233 0.000 0.802 121 K CB 1.555 34.157 32.500 0.170 0.000 1.171 121 K HN 0.324 nan 8.250 nan 0.000 0.426 122 I N 3.941 124.567 120.570 0.094 0.000 2.741 122 I HA -0.107 4.063 4.170 -0.000 0.000 0.288 122 I C 1.605 177.682 176.117 -0.067 0.000 1.192 122 I CA 0.639 61.840 61.300 -0.166 0.000 1.426 122 I CB 0.291 38.170 38.000 -0.202 0.000 1.367 122 I HN 0.904 nan 8.210 nan 0.000 0.563 123 A N 7.952 130.691 122.820 -0.136 0.000 1.892 123 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 123 A C 2.423 180.048 177.584 0.068 0.000 1.188 123 A CA 1.770 53.761 52.037 -0.077 0.000 0.631 123 A CB -0.433 18.493 19.000 -0.124 0.000 0.822 123 A HN 0.820 nan 8.150 nan 0.000 0.447 124 R N -0.362 120.146 120.500 0.012 0.000 2.083 124 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 124 R C 2.349 178.675 176.300 0.044 0.000 1.137 124 R CA 1.982 58.098 56.100 0.027 0.000 0.951 124 R CB -0.269 30.044 30.300 0.023 0.000 0.851 124 R HN 0.582 nan 8.270 nan 0.000 0.434 125 K N -0.680 119.747 120.400 0.045 0.000 2.026 125 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 125 K C 1.987 178.632 176.600 0.075 0.000 1.048 125 K CA 1.608 57.925 56.287 0.050 0.000 0.929 125 K CB -0.374 32.153 32.500 0.044 0.000 0.713 125 K HN 0.343 nan 8.250 nan 0.000 0.439 126 G N 1.524 110.415 108.800 0.152 0.000 2.440 126 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 126 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 126 G C 1.528 176.453 174.900 0.042 0.000 1.154 126 G CA 0.755 45.958 45.100 0.171 0.000 0.767 126 G HN 0.220 nan 8.290 nan 0.000 0.552 127 L N -0.094 121.193 121.223 0.106 0.000 2.046 127 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 127 L C 2.861 179.716 176.870 -0.026 0.000 1.077 127 L CA 0.645 55.495 54.840 0.017 0.000 0.747 127 L CB -0.276 41.813 42.059 0.051 0.000 0.896 127 L HN 0.211 nan 8.230 nan 0.000 0.432 128 I N -0.271 120.295 120.570 -0.007 0.000 2.286 128 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 128 I C 2.161 178.264 176.117 -0.024 0.000 1.115 128 I CA 1.292 62.581 61.300 -0.017 0.000 1.392 128 I CB -0.205 37.792 38.000 -0.005 0.000 1.065 128 I HN 0.271 nan 8.210 nan 0.000 0.418 129 E N 0.474 120.662 120.200 -0.020 0.000 2.409 129 E HA -0.046 4.304 4.350 -0.000 0.000 0.198 129 E C 1.446 178.012 176.600 -0.057 0.000 1.024 129 E CA 0.660 57.042 56.400 -0.030 0.000 0.861 129 E CB 0.003 29.693 29.700 -0.018 0.000 0.788 129 E HN 0.637 nan 8.360 nan 0.000 0.521 130 G N 1.297 110.050 108.800 -0.080 0.000 2.148 130 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.203 130 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.203 130 G C -0.117 174.685 174.900 -0.163 0.000 0.993 130 G CA -0.383 44.655 45.100 -0.103 0.000 0.661 130 G HN 0.074 nan 8.290 nan 0.000 0.518 131 E N 0.381 120.435 120.200 -0.244 0.000 2.392 131 E HA 0.230 4.580 4.350 -0.000 0.000 0.264 131 E C 0.782 177.091 176.600 -0.485 0.000 1.024 131 E CA -0.274 55.847 56.400 -0.465 0.000 0.903 131 E CB 0.493 29.687 29.700 -0.844 0.000 0.963 131 E HN 0.322 nan 8.360 nan 0.000 0.432 132 N N 1.322 119.765 118.700 -0.429 0.000 2.227 132 N HA -0.024 4.715 4.740 -0.000 0.000 0.196 132 N C -0.473 175.039 175.510 0.005 0.000 1.142 132 N CA -0.048 52.888 53.050 -0.189 0.000 0.887 132 N CB 0.176 38.585 38.487 -0.130 0.000 1.022 132 N HN 0.442 nan 8.380 nan 0.000 0.500 133 Y N 0.274 120.588 120.300 0.023 0.000 2.961 133 Y HA -0.150 4.400 4.550 -0.000 0.000 0.184 133 Y C -1.536 174.382 175.900 0.030 0.000 1.515 133 Y CA -0.862 57.237 58.100 -0.001 0.000 0.883 133 Y CB -1.129 37.321 38.460 -0.017 0.000 1.412 133 Y HN 0.176 nan 8.280 nan 0.000 0.362 134 P HA -0.155 nan 4.420 nan 0.000 0.222 134 P C 0.408 177.641 177.300 -0.112 0.000 1.147 134 P CA 1.903 64.921 63.100 -0.136 0.000 0.790 134 P CB 0.175 31.657 31.700 -0.364 0.000 0.780 135 H N -2.462 116.639 119.070 0.052 0.000 2.586 135 H HA 0.164 4.720 4.556 -0.000 0.000 0.273 135 H C 1.668 176.818 175.328 -0.296 0.000 0.997 135 H CA -0.522 55.406 56.048 -0.200 0.000 1.177 135 H CB -0.117 29.379 29.762 -0.444 0.000 1.471 135 H HN -0.029 nan 8.280 nan 0.000 0.538 136 L N 1.344 122.566 121.223 -0.002 0.000 1.990 136 L HA -0.239 4.100 4.340 -0.000 0.000 0.213 136 L C 2.304 179.153 176.870 -0.034 0.000 1.072 136 L CA 2.168 56.960 54.840 -0.080 0.000 0.755 136 L CB -0.605 41.325 42.059 -0.215 0.000 0.889 136 L HN 0.305 nan 8.230 nan 0.000 0.432 137 S N -1.681 114.049 115.700 0.050 0.000 2.383 137 S HA -0.216 4.253 4.470 -0.000 0.000 0.227 137 S C 1.864 176.553 174.600 0.148 0.000 1.026 137 S CA 1.029 59.344 58.200 0.191 0.000 0.981 137 S CB -0.687 62.739 63.200 0.377 0.000 0.818 137 S HN 0.648 nan 8.310 nan 0.000 0.472 138 Q N 0.864 120.738 119.800 0.123 0.000 2.061 138 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 138 Q C 2.156 178.262 176.000 0.177 0.000 0.984 138 Q CA 2.057 57.930 55.803 0.118 0.000 0.846 138 Q CB -0.401 28.390 28.738 0.090 0.000 0.902 138 Q HN 0.793 nan 8.270 nan 0.000 0.421 139 H N -0.302 118.826 119.070 0.096 0.000 2.326 139 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 139 H C 2.021 177.349 175.328 0.001 0.000 1.081 139 H CA 0.728 56.809 56.048 0.055 0.000 1.334 139 H CB 0.192 29.976 29.762 0.035 0.000 1.385 139 H HN 0.156 nan 8.280 nan 0.000 0.504 140 I N 0.761 121.340 120.570 0.014 0.000 2.361 140 I HA -0.150 4.019 4.170 -0.000 0.000 0.251 140 I C 2.697 178.817 176.117 0.005 0.000 1.133 140 I CA 1.224 62.410 61.300 -0.189 0.000 1.413 140 I CB -1.483 36.032 38.000 -0.809 0.000 1.073 140 I HN 0.352 nan 8.210 nan 0.000 0.424 141 G N 0.598 109.443 108.800 0.074 0.000 2.422 141 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 141 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 141 G C 1.621 176.616 174.900 0.157 0.000 1.146 141 G CA 0.868 46.054 45.100 0.143 0.000 0.769 141 G HN 0.532 nan 8.290 nan 0.000 0.547 142 E N -0.549 119.742 120.200 0.152 0.000 2.046 142 E HA -0.101 4.248 4.350 -0.000 0.000 0.190 142 E C 2.072 178.760 176.600 0.148 0.000 0.982 142 E CA 0.470 56.955 56.400 0.140 0.000 0.800 142 E CB -0.346 29.458 29.700 0.172 0.000 0.756 142 E HN 0.306 nan 8.360 nan 0.000 0.449 143 F N 1.561 121.515 119.950 0.007 0.000 2.063 143 F HA -0.288 4.239 4.527 -0.001 0.000 0.298 143 F C 1.949 177.784 175.800 0.058 0.000 1.105 143 F CA 1.980 59.971 58.000 -0.016 0.000 1.215 143 F CB -0.309 38.633 39.000 -0.097 0.000 0.972 143 F HN 0.043 nan 8.300 nan 0.000 0.483 144 L N -0.306 121.045 121.223 0.213 0.000 2.056 144 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 144 L C 2.848 179.918 176.870 0.334 0.000 1.078 144 L CA 1.366 56.340 54.840 0.223 0.000 0.749 144 L CB -1.496 40.728 42.059 0.276 0.000 0.901 144 L HN 0.353 nan 8.230 nan 0.000 0.433 145 G N -0.199 108.793 108.800 0.320 0.000 2.418 145 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 145 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 145 G C 1.715 176.707 174.900 0.152 0.000 1.158 145 G CA 0.574 45.768 45.100 0.157 0.000 0.771 145 G HN 0.284 nan 8.290 nan 0.000 0.545 146 K N 0.091 120.549 120.400 0.098 0.000 2.044 146 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 146 K C 3.003 179.664 176.600 0.102 0.000 1.049 146 K CA 1.543 57.933 56.287 0.172 0.000 0.945 146 K CB -0.427 32.178 32.500 0.176 0.000 0.724 146 K HN 0.434 nan 8.250 nan 0.000 0.440 147 T N 0.560 115.046 114.554 -0.113 0.000 2.746 147 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 147 T C 2.052 176.700 174.700 -0.087 0.000 1.039 147 T CA 1.023 62.995 62.100 -0.213 0.000 1.142 147 T CB -0.471 68.049 68.868 -0.580 0.000 0.866 147 T HN 0.048 nan 8.240 nan 0.000 0.444 148 L N -0.932 120.321 121.223 0.049 0.000 2.109 148 L HA 0.188 4.527 4.340 -0.000 0.000 0.207 148 L C 2.497 179.517 176.870 0.249 0.000 1.086 148 L CA 1.039 55.985 54.840 0.176 0.000 0.760 148 L CB -0.696 41.561 42.059 0.331 0.000 0.910 148 L HN 0.146 nan 8.230 nan 0.000 0.437 149 F N 0.167 120.158 119.950 0.068 0.000 2.075 149 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 149 F C 2.132 177.749 175.800 -0.306 0.000 1.113 149 F CA 1.596 59.438 58.000 -0.264 0.000 1.218 149 F CB -0.274 38.240 39.000 -0.810 0.000 0.984 149 F HN -0.062 nan 8.300 nan 0.000 0.472 150 Y N -0.702 119.482 120.300 -0.192 0.000 2.529 150 Y HA 0.076 4.626 4.550 -0.000 0.000 0.290 150 Y C 2.031 177.759 175.900 -0.287 0.000 1.177 150 Y CA 0.738 58.627 58.100 -0.351 0.000 1.305 150 Y CB -0.299 37.682 38.460 -0.797 0.000 1.047 150 Y HN -0.030 nan 8.280 nan 0.000 0.522 151 S N -1.244 114.381 115.700 -0.125 0.000 2.578 151 S HA 0.097 4.567 4.470 -0.000 0.000 0.231 151 S C 0.737 175.317 174.600 -0.033 0.000 0.994 151 S CA -0.096 58.070 58.200 -0.057 0.000 0.956 151 S CB -0.025 63.086 63.200 -0.147 0.000 0.870 151 S HN 0.331 nan 8.310 nan 0.000 0.494 152 S N 0.873 116.475 115.700 -0.163 0.000 2.713 152 S HA 0.343 4.812 4.470 -0.000 0.000 0.277 152 S C 0.426 174.867 174.600 -0.265 0.000 1.168 152 S CA -0.629 57.464 58.200 -0.180 0.000 0.994 152 S CB 0.572 63.652 63.200 -0.200 0.000 1.054 152 S HN 0.121 nan 8.310 nan 0.000 0.555 153 D N -0.261 119.922 120.400 -0.363 0.000 2.264 153 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 153 D C 1.236 177.316 176.300 -0.366 0.000 0.966 153 D CA 1.124 54.926 54.000 -0.330 0.000 0.864 153 D CB -0.189 40.418 40.800 -0.321 0.000 0.933 153 D HN 0.615 nan 8.370 nan 0.000 0.499 154 Y N 1.230 121.341 120.300 -0.314 0.000 2.293 154 Y HA -0.051 4.498 4.550 -0.000 0.000 0.291 154 Y C 2.486 178.061 175.900 -0.541 0.000 1.137 154 Y CA 0.776 58.595 58.100 -0.468 0.000 1.202 154 Y CB -0.453 37.639 38.460 -0.613 0.000 0.990 154 Y HN -0.055 nan 8.280 nan 0.000 0.537 155 A N -0.936 121.557 122.820 -0.545 0.000 2.085 155 A HA 0.316 4.636 4.320 -0.000 0.000 0.208 155 A C 0.576 178.086 177.584 -0.124 0.000 1.191 155 A CA 0.094 51.895 52.037 -0.393 0.000 0.799 155 A CB -0.111 18.518 19.000 -0.618 0.000 0.877 155 A HN 0.211 nan 8.150 nan 0.000 0.473 156 L N 0.622 121.766 121.223 -0.132 0.000 2.334 156 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 156 L C -0.414 176.422 176.870 -0.056 0.000 1.013 156 L CA -0.825 53.984 54.840 -0.051 0.000 0.816 156 L CB 1.757 43.801 42.059 -0.025 0.000 1.278 156 L HN 0.217 nan 8.230 nan 0.000 0.431 157 E N 2.744 122.927 120.200 -0.029 0.000 2.502 157 E HA -0.064 4.286 4.350 -0.000 0.000 0.261 157 E C -1.610 174.964 176.600 -0.043 0.000 0.974 157 E CA -1.108 55.274 56.400 -0.031 0.000 0.936 157 E CB 0.630 30.320 29.700 -0.017 0.000 0.926 157 E HN 0.354 nan 8.360 nan 0.000 0.459 158 P HA -0.186 nan 4.420 nan 0.000 0.216 158 P C 0.680 177.945 177.300 -0.057 0.000 1.150 158 P CA 1.332 64.397 63.100 -0.059 0.000 0.837 158 P CB 0.245 31.916 31.700 -0.049 0.000 0.786 159 K N -0.557 119.818 120.400 -0.042 0.000 2.097 159 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 159 K C 1.966 178.541 176.600 -0.041 0.000 1.049 159 K CA 1.167 57.431 56.287 -0.040 0.000 0.933 159 K CB -0.848 31.635 32.500 -0.028 0.000 0.717 159 K HN 0.032 nan 8.250 nan 0.000 0.442 160 V N 2.166 122.062 119.914 -0.030 0.000 2.295 160 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 160 V C 2.458 178.532 176.094 -0.033 0.000 1.049 160 V CA 1.575 63.865 62.300 -0.017 0.000 1.024 160 V CB -0.407 31.418 31.823 0.003 0.000 0.648 160 V HN 0.299 nan 8.190 nan 0.000 0.447 161 K N 0.609 120.973 120.400 -0.058 0.000 2.057 161 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 161 K C 2.201 178.655 176.600 -0.242 0.000 1.049 161 K CA 1.694 57.909 56.287 -0.120 0.000 0.931 161 K CB -0.245 32.191 32.500 -0.106 0.000 0.714 161 K HN 0.422 nan 8.250 nan 0.000 0.440 162 K N 0.185 120.482 120.400 -0.171 0.000 2.152 162 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 162 K C 2.225 178.740 176.600 -0.142 0.000 1.048 162 K CA 1.248 57.435 56.287 -0.166 0.000 0.933 162 K CB 0.034 32.472 32.500 -0.102 0.000 0.721 162 K HN 0.128 nan 8.250 nan 0.000 0.447 163 Q N 0.600 120.342 119.800 -0.097 0.000 2.079 163 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 163 Q C 2.184 178.155 176.000 -0.048 0.000 0.974 163 Q CA 1.177 56.944 55.803 -0.061 0.000 0.840 163 Q CB -0.184 28.535 28.738 -0.032 0.000 0.898 163 Q HN 0.358 nan 8.270 nan 0.000 0.430 164 L N -0.190 121.010 121.223 -0.039 0.000 2.131 164 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 164 L C 2.371 179.267 176.870 0.044 0.000 1.092 164 L CA 0.581 55.488 54.840 0.112 0.000 0.759 164 L CB -0.622 41.584 42.059 0.245 0.000 0.903 164 L HN 0.011 nan 8.230 nan 0.000 0.435 165 V N 0.204 119.882 119.914 -0.394 0.000 2.282 165 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 165 V C 2.529 178.610 176.094 -0.020 0.000 1.057 165 V CA 1.903 64.001 62.300 -0.337 0.000 1.032 165 V CB -0.590 30.990 31.823 -0.405 0.000 0.645 165 V HN 0.455 nan 8.190 nan 0.000 0.447 166 K N -0.213 120.161 120.400 -0.043 0.000 2.002 166 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 166 K C 2.320 178.909 176.600 -0.018 0.000 1.048 166 K CA 1.900 58.175 56.287 -0.021 0.000 0.930 166 K CB -0.327 32.149 32.500 -0.041 0.000 0.714 166 K HN 0.516 nan 8.250 nan 0.000 0.438 167 Q N 0.245 120.013 119.800 -0.053 0.000 2.112 167 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 167 Q C 1.101 176.896 176.000 -0.341 0.000 0.987 167 Q CA 1.706 57.383 55.803 -0.211 0.000 0.858 167 Q CB 0.013 28.591 28.738 -0.267 0.000 0.905 167 Q HN 0.277 nan 8.270 nan 0.000 0.420 168 F N 0.322 120.337 119.950 0.110 0.000 2.664 168 F HA 0.214 4.741 4.527 -0.000 0.000 0.303 168 F C 0.325 176.229 175.800 0.175 0.000 1.092 168 F CA -0.224 57.872 58.000 0.159 0.000 1.305 168 F CB 0.414 39.554 39.000 0.233 0.000 1.054 168 F HN -0.218 nan 8.300 nan 0.000 0.565 169 T N 1.722 116.411 114.554 0.226 0.000 2.866 169 T HA -0.116 4.234 4.350 -0.000 0.000 0.293 169 T C 0.503 175.271 174.700 0.113 0.000 1.005 169 T CA 0.532 62.733 62.100 0.168 0.000 1.162 169 T CB -0.066 68.852 68.868 0.083 0.000 0.968 169 T HN 0.105 nan 8.240 nan 0.000 0.530 170 N N 4.167 122.917 118.700 0.083 0.000 2.733 170 N HA 0.281 5.021 4.740 -0.000 0.000 0.271 170 N C -2.194 173.260 175.510 -0.093 0.000 1.720 170 N CA -2.042 51.010 53.050 0.003 0.000 0.803 170 N CB 1.142 39.658 38.487 0.049 0.000 1.208 170 N HN 0.200 nan 8.380 nan 0.000 0.498 171 P HA -0.062 nan 4.420 nan 0.000 0.216 171 P C 0.916 178.174 177.300 -0.070 0.000 1.153 171 P CA 1.199 64.257 63.100 -0.070 0.000 0.848 171 P CB 0.658 32.334 31.700 -0.040 0.000 0.787 172 E N -0.707 119.448 120.200 -0.074 0.000 2.072 172 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 172 E C 2.025 178.575 176.600 -0.082 0.000 0.982 172 E CA 0.818 57.177 56.400 -0.069 0.000 0.803 172 E CB -0.444 29.209 29.700 -0.078 0.000 0.755 172 E HN 0.227 nan 8.360 nan 0.000 0.453 173 L N 0.103 121.231 121.223 -0.158 0.000 2.179 173 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 173 L C 2.491 179.378 176.870 0.027 0.000 1.096 173 L CA 0.312 55.000 54.840 -0.253 0.000 0.779 173 L CB -0.150 41.512 42.059 -0.662 0.000 0.922 173 L HN 0.276 nan 8.230 nan 0.000 0.443 174 C N -0.093 119.168 119.300 -0.064 0.000 2.425 174 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 174 C C 2.471 177.528 174.990 0.111 0.000 1.280 174 C CA 1.024 60.013 59.018 -0.049 0.000 1.744 174 C CB -0.688 26.801 27.740 -0.419 0.000 1.989 174 C HN 0.575 nan 8.230 nan 0.000 0.491 175 D N 0.794 121.227 120.400 0.054 0.000 2.123 175 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 175 D C 1.836 178.211 176.300 0.125 0.000 0.992 175 D CA 1.266 55.313 54.000 0.077 0.000 0.833 175 D CB -0.220 40.601 40.800 0.035 0.000 0.954 175 D HN 0.479 nan 8.370 nan 0.000 0.455 176 I N -0.036 120.629 120.570 0.158 0.000 2.179 176 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 176 I C 2.303 178.547 176.117 0.212 0.000 1.088 176 I CA 1.396 62.819 61.300 0.206 0.000 1.357 176 I CB -0.536 37.648 38.000 0.308 0.000 1.051 176 I HN 0.071 nan 8.210 nan 0.000 0.409 177 T N 0.028 114.735 114.554 0.256 0.000 2.708 177 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 177 T C 1.723 176.496 174.700 0.121 0.000 1.037 177 T CA 1.454 63.628 62.100 0.124 0.000 1.146 177 T CB -0.375 68.541 68.868 0.080 0.000 0.865 177 T HN 0.381 nan 8.240 nan 0.000 0.435 178 E N 0.801 121.109 120.200 0.180 0.000 2.097 178 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 178 E C 2.559 179.316 176.600 0.262 0.000 1.000 178 E CA 1.153 57.697 56.400 0.240 0.000 0.804 178 E CB -0.106 29.714 29.700 0.200 0.000 0.740 178 E HN 0.409 nan 8.360 nan 0.000 0.454 179 R N -0.085 120.535 120.500 0.200 0.000 2.062 179 R HA 0.024 4.364 4.340 -0.000 0.000 0.226 179 R C 2.424 178.851 176.300 0.211 0.000 1.125 179 R CA 0.837 57.056 56.100 0.198 0.000 0.966 179 R CB -0.081 30.306 30.300 0.145 0.000 0.861 179 R HN 0.168 nan 8.270 nan 0.000 0.433 180 L N -0.027 121.291 121.223 0.158 0.000 2.168 180 L HA -0.006 4.334 4.340 -0.000 0.000 0.203 180 L C 2.460 179.372 176.870 0.070 0.000 1.078 180 L CA 0.485 55.396 54.840 0.118 0.000 0.780 180 L CB -0.298 41.813 42.059 0.088 0.000 0.939 180 L HN 0.098 nan 8.230 nan 0.000 0.451 181 V N -1.859 118.048 119.914 -0.011 0.000 2.788 181 V HA -0.097 4.023 4.120 -0.000 0.000 0.251 181 V C 1.682 177.682 176.094 -0.157 0.000 1.068 181 V CA 1.470 63.655 62.300 -0.191 0.000 1.090 181 V CB -0.056 31.538 31.823 -0.381 0.000 0.710 181 V HN 0.279 nan 8.190 nan 0.000 0.467 182 F N 0.028 120.111 119.950 0.223 0.000 2.724 182 F HA 0.332 4.858 4.527 -0.001 0.000 0.306 182 F C 1.912 177.922 175.800 0.350 0.000 1.100 182 F CA 0.949 59.109 58.000 0.267 0.000 1.255 182 F CB 0.495 39.566 39.000 0.119 0.000 1.072 182 F HN 0.146 nan 8.300 nan 0.000 0.589 183 T N -2.008 112.871 114.554 0.542 0.000 3.321 183 T HA 0.026 4.376 4.350 -0.000 0.000 0.251 183 T C 1.107 176.134 174.700 0.545 0.000 0.999 183 T CA 0.329 62.743 62.100 0.523 0.000 1.186 183 T CB -0.088 68.987 68.868 0.345 0.000 1.163 183 T HN -0.180 nan 8.240 nan 0.000 0.399 184 D N 2.043 122.678 120.400 0.391 0.000 2.144 184 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 184 D C -1.002 175.419 176.300 0.202 0.000 0.978 184 D CA 0.977 55.169 54.000 0.320 0.000 0.833 184 D CB -1.456 39.546 40.800 0.337 0.000 0.961 184 D HN 0.318 nan 8.370 nan 0.000 0.470 185 P HA -0.090 nan 4.420 nan 0.000 0.221 185 P C 0.893 178.145 177.300 -0.081 0.000 1.145 185 P CA 0.816 63.893 63.100 -0.038 0.000 0.795 185 P CB -0.205 31.294 31.700 -0.335 0.000 0.775 186 F N -2.611 117.411 119.950 0.120 0.000 2.797 186 F HA 0.216 4.743 4.527 -0.001 0.000 0.302 186 F C 0.831 176.202 175.800 -0.714 0.000 1.130 186 F CA 0.312 58.238 58.000 -0.123 0.000 1.387 186 F CB -0.271 38.597 39.000 -0.221 0.000 1.107 186 F HN -0.214 nan 8.300 nan 0.000 0.577 187 F N -1.514 118.147 119.950 -0.481 0.000 2.650 187 F HA 0.260 4.787 4.527 -0.000 0.000 0.320 187 F C 0.053 175.019 175.800 -1.390 0.000 1.091 187 F CA -1.713 55.702 58.000 -0.975 0.000 0.962 187 F CB 0.467 38.928 39.000 -0.898 0.000 1.363 187 F HN -0.487 nan 8.300 nan 0.000 0.482 188 D N 0.905 120.616 120.400 -1.148 0.000 2.600 188 D HA 0.075 4.714 4.640 -0.000 0.000 0.226 188 D C -0.475 175.766 176.300 -0.100 0.000 1.119 188 D CA 0.426 53.894 54.000 -0.887 0.000 1.051 188 D CB -0.684 39.736 40.800 -0.634 0.000 1.106 188 D HN 0.459 nan 8.370 nan 0.000 0.491 189 H N -0.166 118.841 119.070 -0.105 0.000 2.502 189 H HA 0.287 4.843 4.556 -0.000 0.000 0.338 189 H C 1.164 176.516 175.328 0.041 0.000 1.155 189 H CA -0.189 55.855 56.048 -0.006 0.000 1.237 189 H CB 1.634 31.420 29.762 0.040 0.000 1.534 189 H HN 0.360 nan 8.280 nan 0.000 0.523 190 D N 0.258 120.720 120.400 0.105 0.000 2.264 190 D HA -0.149 4.490 4.640 -0.000 0.000 0.208 190 D C 1.880 178.221 176.300 0.069 0.000 0.966 190 D CA 1.390 55.423 54.000 0.055 0.000 0.864 190 D CB -0.549 40.251 40.800 -0.001 0.000 0.933 190 D HN 0.663 nan 8.370 nan 0.000 0.499 191 T N -2.737 111.877 114.554 0.101 0.000 3.085 191 T HA 0.023 4.373 4.350 -0.000 0.000 0.263 191 T C 0.824 175.598 174.700 0.124 0.000 1.127 191 T CA -0.071 62.085 62.100 0.094 0.000 1.103 191 T CB -0.274 68.655 68.868 0.101 0.000 0.921 191 T HN 0.183 nan 8.240 nan 0.000 0.510 192 N N 2.921 121.733 118.700 0.186 0.000 2.453 192 N HA 0.384 5.124 4.740 -0.000 0.000 0.253 192 N C -0.877 174.732 175.510 0.165 0.000 1.252 192 N CA 0.129 53.341 53.050 0.270 0.000 0.917 192 N CB 0.878 39.652 38.487 0.480 0.000 1.117 192 N HN 0.467 nan 8.380 nan 0.000 0.442 193 D N 0.583 121.130 120.400 0.244 0.000 2.470 193 D HA 0.352 4.992 4.640 -0.000 0.000 0.233 193 D C -1.650 174.830 176.300 0.300 0.000 1.372 193 D CA -0.491 53.565 54.000 0.093 0.000 0.994 193 D CB -0.050 40.753 40.800 0.005 0.000 1.377 193 D HN 0.356 nan 8.370 nan 0.000 0.586 194 F N 0.009 120.057 119.950 0.164 0.000 2.645 194 F HA 0.714 5.241 4.527 -0.000 0.000 0.310 194 F C -0.388 175.474 175.800 0.104 0.000 1.102 194 F CA -1.284 56.790 58.000 0.124 0.000 0.952 194 F CB 0.788 39.817 39.000 0.048 0.000 1.326 194 F HN -0.111 nan 8.300 nan 0.000 0.456 195 E N 1.370 121.768 120.200 0.331 0.000 2.392 195 E HA 0.093 4.443 4.350 -0.000 0.000 0.264 195 E C 0.655 177.446 176.600 0.319 0.000 1.024 195 E CA -0.118 56.448 56.400 0.277 0.000 0.903 195 E CB 0.511 30.389 29.700 0.298 0.000 0.963 195 E HN 0.521 nan 8.360 nan 0.000 0.432 196 E N 2.231 122.560 120.200 0.216 0.000 2.160 196 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 196 E C 1.197 177.901 176.600 0.173 0.000 0.991 196 E CA 1.084 57.596 56.400 0.187 0.000 0.810 196 E CB 0.074 29.837 29.700 0.105 0.000 0.742 196 E HN 0.468 nan 8.360 nan 0.000 0.466 197 E N 0.197 120.520 120.200 0.205 0.000 2.265 197 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 197 E C 1.673 178.355 176.600 0.138 0.000 0.996 197 E CA 0.285 56.787 56.400 0.169 0.000 0.832 197 E CB -0.113 29.735 29.700 0.246 0.000 0.756 197 E HN 0.059 nan 8.360 nan 0.000 0.491 198 L N 0.140 121.455 121.223 0.155 0.000 2.492 198 L HA 0.103 4.443 4.340 -0.000 0.000 0.223 198 L C 2.013 178.833 176.870 -0.083 0.000 1.132 198 L CA 0.905 55.830 54.840 0.142 0.000 0.850 198 L CB -0.211 41.890 42.059 0.070 0.000 0.966 198 L HN -0.039 nan 8.230 nan 0.000 0.454 199 R N 0.347 120.799 120.500 -0.079 0.000 2.113 199 R HA -0.185 4.154 4.340 -0.000 0.000 0.244 199 R C -0.597 175.441 176.300 -0.437 0.000 1.142 199 R CA 2.155 58.127 56.100 -0.213 0.000 0.953 199 R CB -1.279 29.028 30.300 0.011 0.000 0.860 199 R HN 0.250 nan 8.270 nan 0.000 0.438 200 P HA -0.146 nan 4.420 nan 0.000 0.216 200 P C 0.603 177.484 177.300 -0.699 0.000 1.150 200 P CA 1.540 64.237 63.100 -0.671 0.000 0.837 200 P CB -0.105 31.062 31.700 -0.888 0.000 0.786 201 F N -1.706 118.074 119.950 -0.282 0.000 2.234 201 F HA -0.076 4.451 4.527 -0.001 0.000 0.296 201 F C 2.324 177.853 175.800 -0.451 0.000 1.089 201 F CA 0.441 58.255 58.000 -0.310 0.000 1.343 201 F CB -1.497 37.338 39.000 -0.274 0.000 1.040 201 F HN -0.301 nan 8.300 nan 0.000 0.498 202 V N 0.444 120.048 119.914 -0.515 0.000 2.343 202 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 202 V C 2.151 177.544 176.094 -1.169 0.000 1.051 202 V CA 2.069 63.794 62.300 -0.959 0.000 1.036 202 V CB -0.518 30.448 31.823 -1.428 0.000 0.654 202 V HN 0.326 nan 8.190 nan 0.000 0.451 203 E N -0.062 119.609 120.200 -0.882 0.000 2.208 203 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 203 E C 2.443 178.883 176.600 -0.267 0.000 0.988 203 E CA 1.214 57.292 56.400 -0.537 0.000 0.828 203 E CB -0.209 29.318 29.700 -0.289 0.000 0.763 203 E HN 0.688 nan 8.360 nan 0.000 0.478 204 K N 0.949 121.193 120.400 -0.260 0.000 2.063 204 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 204 K C 1.905 178.440 176.600 -0.109 0.000 1.048 204 K CA 1.576 57.780 56.287 -0.139 0.000 0.928 204 K CB -1.013 31.430 32.500 -0.095 0.000 0.713 204 K HN 0.127 nan 8.250 nan 0.000 0.442 205 L N -0.958 120.155 121.223 -0.183 0.000 2.072 205 L HA 0.029 4.368 4.340 -0.000 0.000 0.205 205 L C 2.353 179.260 176.870 0.061 0.000 1.079 205 L CA 1.594 56.379 54.840 -0.091 0.000 0.752 205 L CB -0.414 41.541 42.059 -0.173 0.000 0.906 205 L HN 0.568 nan 8.230 nan 0.000 0.436 206 W N 0.235 121.463 121.300 -0.120 0.000 2.374 206 W HA -0.092 4.568 4.660 -0.000 0.000 0.288 206 W C 1.953 178.403 176.519 -0.115 0.000 1.218 206 W CA 0.645 57.904 57.345 -0.144 0.000 1.245 206 W CB -1.271 28.120 29.460 -0.114 0.000 1.126 206 W HN 0.320 nan 8.180 nan 0.000 0.545 207 N N 0.285 119.066 118.700 0.134 0.000 2.398 207 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 207 N C 0.051 175.580 175.510 0.031 0.000 1.122 207 N CA 0.354 53.445 53.050 0.069 0.000 0.866 207 N CB -0.348 38.169 38.487 0.050 0.000 0.970 207 N HN -0.007 nan 8.380 nan 0.000 0.462 208 N N 1.493 120.209 118.700 0.027 0.000 2.500 208 N HA 0.056 4.795 4.740 -0.000 0.000 0.236 208 N C -0.021 175.492 175.510 0.004 0.000 1.022 208 N CA -0.109 52.949 53.050 0.013 0.000 0.935 208 N CB 0.900 39.396 38.487 0.016 0.000 1.147 208 N HN -0.118 nan 8.380 nan 0.000 0.512 209 D N 0.794 121.194 120.400 -0.000 0.000 2.149 209 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 209 D C 1.755 178.046 176.300 -0.014 0.000 0.972 209 D CA 1.273 55.270 54.000 -0.006 0.000 0.835 209 D CB 0.145 40.947 40.800 0.004 0.000 0.966 209 D HN 0.653 nan 8.370 nan 0.000 0.476 210 S N -0.375 115.318 115.700 -0.011 0.000 2.406 210 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 210 S C 2.108 176.694 174.600 -0.024 0.000 1.020 210 S CA 0.549 58.739 58.200 -0.016 0.000 0.965 210 S CB -0.378 62.813 63.200 -0.014 0.000 0.798 210 S HN 0.057 nan 8.310 nan 0.000 0.488 211 V N 1.999 121.902 119.914 -0.018 0.000 2.379 211 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 211 V C 2.655 178.695 176.094 -0.089 0.000 1.044 211 V CA 1.954 64.244 62.300 -0.017 0.000 1.036 211 V CB -0.638 31.210 31.823 0.042 0.000 0.664 211 V HN 0.470 nan 8.190 nan 0.000 0.453 212 K N -0.286 120.055 120.400 -0.099 0.000 2.057 212 K HA -0.070 4.249 4.320 -0.000 0.000 0.206 212 K C 2.069 178.582 176.600 -0.144 0.000 1.050 212 K CA 1.127 57.291 56.287 -0.205 0.000 0.935 212 K CB -0.228 32.165 32.500 -0.178 0.000 0.715 212 K HN 0.235 nan 8.250 nan 0.000 0.439 213 I N 1.955 122.485 120.570 -0.067 0.000 2.248 213 I HA -0.264 3.905 4.170 -0.000 0.000 0.248 213 I C 1.997 178.087 176.117 -0.044 0.000 1.107 213 I CA 1.653 62.933 61.300 -0.033 0.000 1.373 213 I CB -0.785 37.206 38.000 -0.015 0.000 1.055 213 I HN 0.232 nan 8.210 nan 0.000 0.418 214 E N 0.472 120.633 120.200 -0.064 0.000 2.158 214 E HA -0.005 4.344 4.350 -0.000 0.000 0.191 214 E C 2.321 178.877 176.600 -0.072 0.000 0.982 214 E CA 1.099 57.465 56.400 -0.056 0.000 0.823 214 E CB -0.177 29.496 29.700 -0.046 0.000 0.766 214 E HN 0.433 nan 8.360 nan 0.000 0.468 215 A N 1.621 124.339 122.820 -0.170 0.000 1.930 215 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 215 A C 2.414 179.962 177.584 -0.060 0.000 1.175 215 A CA 1.784 53.685 52.037 -0.226 0.000 0.627 215 A CB -0.496 17.979 19.000 -0.875 0.000 0.815 215 A HN 0.245 nan 8.150 nan 0.000 0.443 216 A N 0.134 122.914 122.820 -0.066 0.000 1.883 216 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 216 A C 2.108 179.700 177.584 0.014 0.000 1.186 216 A CA 1.936 53.976 52.037 0.004 0.000 0.624 216 A CB -0.464 18.546 19.000 0.017 0.000 0.822 216 A HN 0.556 nan 8.150 nan 0.000 0.444 217 K N -0.497 119.907 120.400 0.008 0.000 2.057 217 K HA -0.019 4.300 4.320 -0.000 0.000 0.207 217 K C 1.843 178.465 176.600 0.036 0.000 1.049 217 K CA 1.355 57.654 56.287 0.020 0.000 0.931 217 K CB -0.366 32.140 32.500 0.011 0.000 0.714 217 K HN 0.452 nan 8.250 nan 0.000 0.440 218 L N 1.124 122.375 121.223 0.047 0.000 2.093 218 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 218 L C 2.600 179.531 176.870 0.101 0.000 1.085 218 L CA 1.181 56.092 54.840 0.118 0.000 0.755 218 L CB -0.262 41.908 42.059 0.186 0.000 0.904 218 L HN 0.161 nan 8.230 nan 0.000 0.435 219 K N 0.430 120.753 120.400 -0.127 0.000 2.057 219 K HA -0.209 4.110 4.320 -0.000 0.000 0.206 219 K C 2.320 178.816 176.600 -0.173 0.000 1.050 219 K CA 1.069 57.038 56.287 -0.530 0.000 0.935 219 K CB 0.011 32.383 32.500 -0.212 0.000 0.715 219 K HN 0.022 nan 8.250 nan 0.000 0.439 220 K N 0.720 121.101 120.400 -0.031 0.000 2.103 220 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 220 K C 2.092 178.732 176.600 0.066 0.000 1.048 220 K CA 1.722 58.024 56.287 0.024 0.000 0.930 220 K CB -0.301 32.220 32.500 0.035 0.000 0.716 220 K HN 0.103 nan 8.250 nan 0.000 0.444 221 S N 0.077 115.848 115.700 0.117 0.000 2.356 221 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 221 S C 1.814 176.536 174.600 0.204 0.000 1.032 221 S CA 1.070 59.393 58.200 0.204 0.000 1.005 221 S CB -0.491 62.901 63.200 0.320 0.000 0.867 221 S HN 0.433 nan 8.310 nan 0.000 0.449 222 F N 1.802 121.752 119.950 -0.000 0.000 2.154 222 F HA -0.059 4.467 4.527 -0.000 0.000 0.301 222 F C 1.787 177.589 175.800 0.004 0.000 1.087 222 F CA 1.504 59.431 58.000 -0.122 0.000 1.274 222 F CB -0.240 38.428 39.000 -0.553 0.000 1.009 222 F HN 0.208 nan 8.300 nan 0.000 0.485 223 L N -0.918 120.352 121.223 0.078 0.000 2.240 223 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 223 L C 2.140 179.033 176.870 0.038 0.000 1.106 223 L CA 1.636 56.508 54.840 0.052 0.000 0.793 223 L CB -0.571 41.522 42.059 0.057 0.000 0.927 223 L HN 0.331 nan 8.230 nan 0.000 0.446 224 T N -7.496 107.083 114.554 0.042 0.000 2.954 224 T HA 0.117 4.466 4.350 -0.000 0.000 0.252 224 T C 0.960 175.685 174.700 0.041 0.000 0.983 224 T CA -0.165 61.961 62.100 0.043 0.000 0.941 224 T CB 0.146 69.041 68.868 0.046 0.000 1.141 224 T HN -0.051 nan 8.240 nan 0.000 0.500 225 S N 2.559 118.287 115.700 0.046 0.000 3.530 225 S HA 0.608 5.078 4.470 -0.000 0.000 0.279 225 S C 0.637 175.241 174.600 0.007 0.000 1.280 225 S CA -0.430 57.806 58.200 0.059 0.000 0.946 225 S CB -0.203 63.075 63.200 0.130 0.000 1.501 225 S HN 0.691 nan 8.310 nan 0.000 0.498 226 A N 2.852 125.680 122.820 0.015 0.000 3.048 226 A HA 0.209 4.528 4.320 -0.000 0.000 0.264 226 A C 1.154 178.792 177.584 0.089 0.000 1.796 226 A CA -0.325 51.730 52.037 0.029 0.000 1.445 226 A CB -0.279 18.740 19.000 0.032 0.000 1.074 226 A HN 0.738 nan 8.150 nan 0.000 0.621 227 E N 0.252 120.481 120.200 0.048 0.000 2.042 227 E HA 0.005 4.355 4.350 -0.000 0.000 0.189 227 E C 0.618 177.247 176.600 0.048 0.000 0.974 227 E CA 1.455 57.891 56.400 0.059 0.000 0.806 227 E CB 0.194 29.955 29.700 0.101 0.000 0.769 227 E HN 0.744 nan 8.360 nan 0.000 0.451 228 T N -1.120 113.373 114.554 -0.102 0.000 2.754 228 T HA 0.388 4.737 4.350 -0.000 0.000 0.296 228 T C -0.971 173.107 174.700 -1.038 0.000 1.205 228 T CA -0.928 60.939 62.100 -0.389 0.000 1.009 228 T CB 1.168 69.895 68.868 -0.235 0.000 1.368 228 T HN -0.036 nan 8.240 nan 0.000 0.509 229 L N 2.567 123.020 121.223 -1.283 0.000 2.325 229 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 229 L C -0.088 176.468 176.870 -0.523 0.000 1.089 229 L CA -0.609 53.575 54.840 -1.094 0.000 0.836 229 L CB -0.900 40.593 42.059 -0.944 0.000 1.184 229 L HN 0.678 nan 8.230 nan 0.000 0.444 230 I N 1.065 121.397 120.570 -0.397 0.000 2.918 230 I HA 0.308 4.478 4.170 -0.000 0.000 0.316 230 I C 0.952 177.115 176.117 0.077 0.000 1.001 230 I CA -0.636 60.602 61.300 -0.104 0.000 1.142 230 I CB 0.964 38.941 38.000 -0.039 0.000 1.356 230 I HN 0.652 nan 8.210 nan 0.000 0.524 231 H N 2.568 121.728 119.070 0.149 0.000 2.384 231 H HA 0.058 4.613 4.556 -0.000 0.000 0.300 231 H C 1.524 177.053 175.328 0.336 0.000 1.057 231 H CA 1.722 57.913 56.048 0.238 0.000 1.370 231 H CB 0.310 30.247 29.762 0.292 0.000 1.417 231 H HN 1.027 nan 8.280 nan 0.000 0.527 232 G N 0.776 109.943 108.800 0.611 0.000 2.179 232 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 232 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 232 G C 0.283 175.550 174.900 0.612 0.000 0.977 232 G CA 0.801 46.334 45.100 0.722 0.000 0.641 232 G HN 0.582 nan 8.290 nan 0.000 0.533 233 D N -0.989 119.764 120.400 0.589 0.000 3.118 233 D HA 0.227 4.867 4.640 -0.000 0.000 0.352 233 D C 0.223 176.708 176.300 0.308 0.000 1.498 233 D CA -0.564 53.618 54.000 0.304 0.000 0.759 233 D CB -0.255 40.557 40.800 0.021 0.000 1.251 233 D HN 0.183 nan 8.370 nan 0.000 0.504 234 L N 3.002 124.302 121.223 0.128 0.000 2.382 234 L HA 0.260 4.599 4.340 -0.000 0.000 0.259 234 L C -0.069 176.795 176.870 -0.010 0.000 1.291 234 L CA 0.183 54.900 54.840 -0.205 0.000 1.176 234 L CB -1.172 40.721 42.059 -0.276 0.000 1.373 234 L HN 0.250 nan 8.230 nan 0.000 0.426 235 H N -1.494 117.553 119.070 -0.039 0.000 2.585 235 H HA 0.529 5.084 4.556 -0.000 0.000 0.338 235 H C 1.196 176.527 175.328 0.005 0.000 1.295 235 H CA -0.296 55.743 56.048 -0.014 0.000 1.356 235 H CB 0.203 29.934 29.762 -0.051 0.000 1.736 235 H HN 0.253 nan 8.280 nan 0.000 0.629 236 T N -3.288 111.310 114.554 0.074 0.000 3.035 236 T HA -0.001 4.349 4.350 -0.000 0.000 0.268 236 T C 1.921 176.579 174.700 -0.071 0.000 1.109 236 T CA 0.521 62.625 62.100 0.006 0.000 1.119 236 T CB -0.657 68.204 68.868 -0.011 0.000 0.900 236 T HN 0.780 nan 8.240 nan 0.000 0.503 237 G N 0.414 109.216 108.800 0.003 0.000 2.813 237 G HA2 0.080 4.039 3.960 -0.000 0.000 0.209 237 G HA3 0.080 4.039 3.960 -0.000 0.000 0.209 237 G C 1.275 175.961 174.900 -0.357 0.000 1.150 237 G CA -0.009 45.051 45.100 -0.066 0.000 0.785 237 G HN 0.515 nan 8.290 nan 0.000 0.535 238 S N 0.103 115.404 115.700 -0.666 0.000 2.622 238 S HA 0.435 4.905 4.470 -0.000 0.000 0.236 238 S C 0.058 174.429 174.600 -0.383 0.000 0.956 238 S CA -0.256 57.648 58.200 -0.493 0.000 0.971 238 S CB -0.161 62.739 63.200 -0.501 0.000 0.782 238 S HN 0.240 nan 8.310 nan 0.000 0.468 239 I N 0.742 121.082 120.570 -0.384 0.000 2.569 239 I HA 0.415 4.584 4.170 -0.000 0.000 0.290 239 I C -1.266 174.655 176.117 -0.327 0.000 1.088 239 I CA -0.711 60.397 61.300 -0.320 0.000 1.047 239 I CB 1.906 39.747 38.000 -0.265 0.000 1.237 239 I HN -0.035 nan 8.210 nan 0.000 0.421 240 F N 4.140 123.976 119.950 -0.189 0.000 2.404 240 F HA 0.776 5.302 4.527 -0.001 0.000 0.339 240 F C 0.493 176.139 175.800 -0.257 0.000 1.105 240 F CA -0.297 57.589 58.000 -0.191 0.000 1.087 240 F CB 1.786 40.691 39.000 -0.158 0.000 1.143 240 F HN 0.457 nan 8.300 nan 0.000 0.491 241 A N 1.998 124.751 122.820 -0.112 0.000 2.539 241 A HA 0.859 5.179 4.320 -0.000 0.000 0.296 241 A C -0.871 176.549 177.584 -0.272 0.000 1.073 241 A CA -0.243 51.563 52.037 -0.385 0.000 0.700 241 A CB 1.700 20.081 19.000 -1.030 0.000 1.296 241 A HN 0.819 nan 8.150 nan 0.000 0.405 242 S N -0.764 114.861 115.700 -0.125 0.000 2.776 242 S HA 0.709 5.179 4.470 -0.000 0.000 0.292 242 S C 1.007 175.734 174.600 0.211 0.000 1.187 242 S CA 0.605 58.881 58.200 0.127 0.000 0.834 242 S CB 0.667 63.931 63.200 0.107 0.000 1.199 242 S HN 1.712 nan 8.310 nan 0.000 0.514 243 E N 0.136 120.415 120.200 0.132 0.000 2.118 243 E HA -0.183 4.166 4.350 -0.000 0.000 0.195 243 E C 1.492 178.074 176.600 -0.030 0.000 0.992 243 E CA 2.107 58.473 56.400 -0.056 0.000 0.804 243 E CB -1.109 28.386 29.700 -0.342 0.000 0.741 243 E HN 0.740 nan 8.360 nan 0.000 0.458 244 H N -0.897 118.348 119.070 0.290 0.000 2.827 244 H HA 0.398 4.954 4.556 -0.001 0.000 0.269 244 H C -0.067 175.468 175.328 0.345 0.000 1.031 244 H CA 0.175 56.428 56.048 0.341 0.000 1.202 244 H CB 0.973 30.872 29.762 0.228 0.000 1.511 244 H HN 0.515 nan 8.280 nan 0.000 0.517 245 E N 0.672 121.088 120.200 0.360 0.000 2.317 245 E HA 0.480 4.830 4.350 -0.000 0.000 0.270 245 E C -0.771 175.936 176.600 0.178 0.000 0.885 245 E CA -0.600 55.945 56.400 0.242 0.000 0.760 245 E CB 2.717 32.516 29.700 0.164 0.000 1.227 245 E HN -0.094 nan 8.360 nan 0.000 0.434 246 T N 2.186 116.806 114.554 0.109 0.000 2.952 246 T HA 0.432 4.782 4.350 -0.000 0.000 0.305 246 T C -1.047 173.620 174.700 -0.054 0.000 1.064 246 T CA -1.029 61.094 62.100 0.038 0.000 1.008 246 T CB 1.255 70.219 68.868 0.160 0.000 1.078 246 T HN 0.136 nan 8.240 nan 0.000 0.459 247 K N 2.301 122.666 120.400 -0.058 0.000 2.541 247 K HA 0.470 4.790 4.320 -0.000 0.000 0.250 247 K C -1.058 175.465 176.600 -0.128 0.000 0.950 247 K CA -0.644 55.609 56.287 -0.057 0.000 0.805 247 K CB 2.505 35.035 32.500 0.049 0.000 1.166 247 K HN 0.397 nan 8.250 nan 0.000 0.430 248 V N 5.070 124.815 119.914 -0.282 0.000 2.461 248 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 248 V C 0.643 176.663 176.094 -0.123 0.000 1.047 248 V CA -0.549 61.504 62.300 -0.412 0.000 0.955 248 V CB 0.378 31.560 31.823 -1.069 0.000 0.988 248 V HN 0.678 nan 8.190 nan 0.000 0.471 249 I N 0.756 121.295 120.570 -0.051 0.000 3.133 249 I HA 0.759 4.929 4.170 -0.000 0.000 0.311 249 I C 0.188 176.401 176.117 0.160 0.000 1.072 249 I CA -0.960 60.382 61.300 0.069 0.000 1.015 249 I CB 1.453 39.490 38.000 0.061 0.000 1.233 249 I HN 0.517 nan 8.210 nan 0.000 0.473 250 D N 1.754 122.227 120.400 0.122 0.000 2.746 250 D HA -0.091 4.548 4.640 -0.000 0.000 0.241 250 D C -2.022 174.275 176.300 -0.006 0.000 1.140 250 D CA 0.367 54.429 54.000 0.103 0.000 0.707 250 D CB -0.432 40.436 40.800 0.114 0.000 1.034 250 D HN 0.592 nan 8.370 nan 0.000 0.423 251 P HA 0.041 nan 4.420 nan 0.000 0.235 251 P C 0.719 177.972 177.300 -0.078 0.000 1.725 251 P CA 0.037 62.883 63.100 -0.424 0.000 0.894 251 P CB -0.463 31.113 31.700 -0.207 0.000 1.704 252 E N -0.924 119.299 120.200 0.039 0.000 2.274 252 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 252 E C 0.528 177.129 176.600 0.001 0.000 0.996 252 E CA 0.675 57.097 56.400 0.036 0.000 0.840 252 E CB -0.647 29.055 29.700 0.003 0.000 0.772 252 E HN 0.186 nan 8.360 nan 0.000 0.491 253 F N 1.772 121.759 119.950 0.062 0.000 2.773 253 F HA 0.310 4.836 4.527 -0.000 0.000 0.304 253 F C 1.075 177.013 175.800 0.229 0.000 1.129 253 F CA -0.110 57.978 58.000 0.146 0.000 1.378 253 F CB 0.081 39.212 39.000 0.220 0.000 1.095 253 F HN -0.002 nan 8.300 nan 0.000 0.565 254 A N 1.359 124.352 122.820 0.288 0.000 2.540 254 A HA 0.391 4.711 4.320 -0.000 0.000 0.239 254 A C -0.283 177.542 177.584 0.401 0.000 1.061 254 A CA 0.282 52.471 52.037 0.254 0.000 0.758 254 A CB -0.578 18.471 19.000 0.083 0.000 0.991 254 A HN 0.469 nan 8.150 nan 0.000 0.502 255 F N -0.140 119.824 119.950 0.023 0.000 2.858 255 F HA 0.556 5.083 4.527 -0.001 0.000 0.319 255 F C -1.545 174.233 175.800 -0.037 0.000 1.166 255 F CA -1.516 56.526 58.000 0.071 0.000 0.899 255 F CB 0.947 39.979 39.000 0.054 0.000 1.332 255 F HN 0.364 nan 8.300 nan 0.000 0.461 256 Y N 1.738 121.824 120.300 -0.355 0.000 2.539 256 Y HA 0.590 5.140 4.550 -0.001 0.000 0.352 256 Y C 0.650 176.006 175.900 -0.905 0.000 1.004 256 Y CA 0.711 58.513 58.100 -0.497 0.000 1.278 256 Y CB 0.924 39.276 38.460 -0.180 0.000 1.136 256 Y HN 0.904 nan 8.280 nan 0.000 0.528 257 G N 4.151 112.383 108.800 -0.946 0.000 2.827 257 G HA2 0.504 4.463 3.960 -0.000 0.000 0.296 257 G HA3 0.504 4.463 3.960 -0.000 0.000 0.296 257 G C -3.261 171.425 174.900 -0.356 0.000 1.362 257 G CA -1.829 42.746 45.100 -0.875 0.000 0.809 257 G HN 0.154 nan 8.290 nan 0.000 0.522 258 P HA 0.270 nan 4.420 nan 0.000 0.276 258 P C 0.973 178.347 177.300 0.123 0.000 1.230 258 P CA -0.282 62.873 63.100 0.091 0.000 0.776 258 P CB 1.282 33.166 31.700 0.306 0.000 0.888 259 I N 2.000 122.674 120.570 0.173 0.000 2.264 259 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 259 I C 2.377 178.588 176.117 0.156 0.000 1.111 259 I CA 2.018 63.422 61.300 0.172 0.000 1.382 259 I CB -0.837 37.309 38.000 0.243 0.000 1.060 259 I HN 0.495 nan 8.210 nan 0.000 0.418 260 G N -0.165 108.783 108.800 0.246 0.000 2.598 260 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 260 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 260 G C 1.506 176.630 174.900 0.374 0.000 1.131 260 G CA -0.059 45.211 45.100 0.284 0.000 0.785 260 G HN 0.322 nan 8.290 nan 0.000 0.539 261 F N 1.697 121.694 119.950 0.078 0.000 2.075 261 F HA -0.079 4.448 4.527 -0.000 0.000 0.297 261 F C 2.192 178.014 175.800 0.037 0.000 1.113 261 F CA 1.719 59.614 58.000 -0.174 0.000 1.218 261 F CB 0.186 38.991 39.000 -0.325 0.000 0.984 261 F HN 0.076 nan 8.300 nan 0.000 0.472 262 D N -0.135 120.333 120.400 0.115 0.000 2.218 262 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 262 D C 2.404 178.711 176.300 0.012 0.000 0.976 262 D CA 1.155 55.187 54.000 0.053 0.000 0.853 262 D CB -0.328 40.568 40.800 0.160 0.000 0.939 262 D HN 0.225 nan 8.370 nan 0.000 0.481 263 V N 0.637 120.557 119.914 0.009 0.000 2.323 263 V HA -0.070 4.050 4.120 -0.000 0.000 0.244 263 V C 2.570 178.714 176.094 0.083 0.000 1.041 263 V CA 1.845 64.161 62.300 0.026 0.000 1.025 263 V CB -0.957 30.813 31.823 -0.088 0.000 0.656 263 V HN 0.205 nan 8.190 nan 0.000 0.451 264 G N -0.928 107.904 108.800 0.053 0.000 2.459 264 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 264 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 264 G C 1.509 176.398 174.900 -0.019 0.000 1.183 264 G CA 0.840 45.968 45.100 0.047 0.000 0.776 264 G HN 0.505 nan 8.290 nan 0.000 0.552 265 Q N -0.842 118.856 119.800 -0.171 0.000 2.096 265 Q HA -0.124 4.215 4.340 -0.000 0.000 0.204 265 Q C 2.258 178.246 176.000 -0.021 0.000 0.982 265 Q CA 1.352 57.048 55.803 -0.178 0.000 0.850 265 Q CB -0.267 28.269 28.738 -0.336 0.000 0.901 265 Q HN 0.577 nan 8.270 nan 0.000 0.422 266 F N 0.851 120.735 119.950 -0.110 0.000 2.113 266 F HA -0.197 4.329 4.527 -0.000 0.000 0.297 266 F C 1.991 177.752 175.800 -0.066 0.000 1.103 266 F CA 1.152 59.100 58.000 -0.087 0.000 1.248 266 F CB -0.025 38.924 39.000 -0.086 0.000 0.999 266 F HN -0.046 nan 8.300 nan 0.000 0.475 267 I N 0.335 120.865 120.570 -0.066 0.000 2.226 267 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 267 I C 2.680 178.727 176.117 -0.116 0.000 1.100 267 I CA 1.212 62.414 61.300 -0.163 0.000 1.374 267 I CB -0.814 37.204 38.000 0.029 0.000 1.057 267 I HN 0.261 nan 8.210 nan 0.000 0.413 268 A N 0.546 123.383 122.820 0.028 0.000 1.933 268 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 268 A C 2.083 179.648 177.584 -0.031 0.000 1.175 268 A CA 1.789 53.886 52.037 0.099 0.000 0.628 268 A CB -0.686 18.343 19.000 0.048 0.000 0.814 268 A HN 0.460 nan 8.150 nan 0.000 0.444 269 N N -0.258 118.348 118.700 -0.157 0.000 2.331 269 N HA -0.021 4.719 4.740 -0.000 0.000 0.180 269 N C 1.650 176.989 175.510 -0.284 0.000 1.019 269 N CA 1.028 53.966 53.050 -0.187 0.000 0.881 269 N CB -0.181 38.222 38.487 -0.140 0.000 0.972 269 N HN 0.498 nan 8.380 nan 0.000 0.435 270 L N -0.322 120.616 121.223 -0.475 0.000 2.056 270 L HA -0.097 4.242 4.340 -0.000 0.000 0.207 270 L C 1.966 178.604 176.870 -0.388 0.000 1.078 270 L CA 0.953 55.497 54.840 -0.494 0.000 0.749 270 L CB -0.460 41.201 42.059 -0.663 0.000 0.901 270 L HN -0.002 nan 8.230 nan 0.000 0.433 271 F N 0.113 119.880 119.950 -0.304 0.000 2.171 271 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 271 F C 2.302 177.990 175.800 -0.186 0.000 1.090 271 F CA 1.191 58.960 58.000 -0.385 0.000 1.293 271 F CB -0.651 38.006 39.000 -0.572 0.000 1.013 271 F HN -0.079 nan 8.300 nan 0.000 0.486 272 L N -0.287 120.958 121.223 0.036 0.000 2.046 272 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 272 L C 2.479 179.336 176.870 -0.023 0.000 1.077 272 L CA 1.588 56.432 54.840 0.007 0.000 0.747 272 L CB -0.689 41.347 42.059 -0.038 0.000 0.896 272 L HN 0.256 nan 8.230 nan 0.000 0.432 273 N N 0.214 118.872 118.700 -0.070 0.000 2.188 273 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 273 N C 1.874 177.335 175.510 -0.083 0.000 1.018 273 N CA 1.206 54.209 53.050 -0.079 0.000 0.858 273 N CB 0.169 38.596 38.487 -0.100 0.000 0.989 273 N HN 0.311 nan 8.380 nan 0.000 0.426 274 A N 1.636 124.393 122.820 -0.104 0.000 1.908 274 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 274 A C 2.328 179.921 177.584 0.015 0.000 1.181 274 A CA 0.923 52.889 52.037 -0.117 0.000 0.627 274 A CB -0.763 18.126 19.000 -0.184 0.000 0.818 274 A HN 0.343 nan 8.150 nan 0.000 0.445 275 L N 0.398 121.679 121.223 0.096 0.000 2.275 275 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 275 L C 2.710 179.578 176.870 -0.003 0.000 1.119 275 L CA 1.372 56.259 54.840 0.077 0.000 0.790 275 L CB -0.225 41.881 42.059 0.078 0.000 0.919 275 L HN 0.620 nan 8.230 nan 0.000 0.443 276 S N -1.185 114.502 115.700 -0.021 0.000 2.558 276 S HA 0.082 4.551 4.470 -0.000 0.000 0.217 276 S C 0.993 175.569 174.600 -0.040 0.000 0.975 276 S CA -0.330 57.848 58.200 -0.037 0.000 0.912 276 S CB 0.097 63.274 63.200 -0.038 0.000 0.776 276 S HN 0.291 nan 8.310 nan 0.000 0.526 277 R N 0.374 120.848 120.500 -0.045 0.000 2.797 277 R HA 0.658 4.998 4.340 -0.000 0.000 0.251 277 R C -1.459 174.818 176.300 -0.037 0.000 1.107 277 R CA -0.772 55.297 56.100 -0.051 0.000 1.084 277 R CB 0.522 30.775 30.300 -0.079 0.000 1.205 277 R HN 0.190 nan 8.270 nan 0.000 0.515 278 D N -0.862 119.517 120.400 -0.035 0.000 2.457 278 D HA 0.419 5.059 4.640 -0.000 0.000 0.240 278 D C 0.537 176.829 176.300 -0.013 0.000 1.041 278 D CA 0.490 54.478 54.000 -0.020 0.000 0.861 278 D CB 1.795 42.582 40.800 -0.021 0.000 1.394 278 D HN 0.635 nan 8.370 nan 0.000 0.473 279 G N 1.241 110.045 108.800 0.008 0.000 2.634 279 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.309 279 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.309 279 G C 1.133 176.047 174.900 0.023 0.000 1.265 279 G CA 0.857 45.968 45.100 0.019 0.000 0.998 279 G HN 0.831 nan 8.290 nan 0.000 0.551 280 A N -0.768 122.059 122.820 0.011 0.000 2.172 280 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 280 A C 1.881 179.451 177.584 -0.023 0.000 1.154 280 A CA 2.263 54.305 52.037 0.008 0.000 0.701 280 A CB -0.390 18.611 19.000 0.002 0.000 0.789 280 A HN 0.583 nan 8.150 nan 0.000 0.465 281 D N -0.214 120.162 120.400 -0.039 0.000 2.312 281 D HA -0.062 4.578 4.640 -0.000 0.000 0.211 281 D C 1.948 178.180 176.300 -0.114 0.000 0.964 281 D CA 0.702 54.661 54.000 -0.068 0.000 0.877 281 D CB -0.242 40.522 40.800 -0.061 0.000 0.924 281 D HN 0.466 nan 8.370 nan 0.000 0.515 282 R N 0.479 120.899 120.500 -0.133 0.000 2.189 282 R HA -0.004 4.336 4.340 -0.000 0.000 0.218 282 R C 1.830 177.873 176.300 -0.428 0.000 1.074 282 R CA 0.429 56.343 56.100 -0.309 0.000 0.991 282 R CB 0.127 30.248 30.300 -0.299 0.000 0.883 282 R HN 0.138 nan 8.270 nan 0.000 0.457 283 E N 0.489 120.597 120.200 -0.155 0.000 2.085 283 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 283 E C -0.825 175.713 176.600 -0.105 0.000 0.994 283 E CA 1.379 57.764 56.400 -0.026 0.000 0.801 283 E CB -1.042 28.683 29.700 0.042 0.000 0.743 283 E HN 0.248 nan 8.360 nan 0.000 0.453 284 P HA -0.160 nan 4.420 nan 0.000 0.216 284 P C 1.506 178.644 177.300 -0.270 0.000 1.150 284 P CA 0.971 63.932 63.100 -0.231 0.000 0.843 284 P CB 0.002 31.596 31.700 -0.177 0.000 0.787 285 L N -2.451 118.628 121.223 -0.239 0.000 2.109 285 L HA -0.123 4.216 4.340 -0.000 0.000 0.207 285 L C 2.440 179.179 176.870 -0.218 0.000 1.086 285 L CA 1.793 56.500 54.840 -0.222 0.000 0.760 285 L CB -1.646 40.200 42.059 -0.355 0.000 0.910 285 L HN 0.123 nan 8.230 nan 0.000 0.437 286 Y N 0.135 120.340 120.300 -0.157 0.000 2.181 286 Y HA -0.209 4.340 4.550 -0.000 0.000 0.288 286 Y C 2.712 178.544 175.900 -0.115 0.000 1.146 286 Y CA 0.283 58.298 58.100 -0.142 0.000 1.164 286 Y CB 0.068 38.505 38.460 -0.038 0.000 0.982 286 Y HN 0.178 nan 8.280 nan 0.000 0.515 287 E N -0.290 119.927 120.200 0.028 0.000 2.077 287 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 287 E C 1.888 178.465 176.600 -0.038 0.000 0.989 287 E CA 1.155 57.528 56.400 -0.045 0.000 0.800 287 E CB -0.390 29.225 29.700 -0.141 0.000 0.746 287 E HN 0.573 nan 8.360 nan 0.000 0.452 288 H N -0.029 119.030 119.070 -0.018 0.000 2.387 288 H HA -0.057 4.498 4.556 -0.000 0.000 0.299 288 H C 2.284 177.607 175.328 -0.008 0.000 1.090 288 H CA 1.014 57.057 56.048 -0.009 0.000 1.332 288 H CB -0.260 29.470 29.762 -0.054 0.000 1.386 288 H HN -0.009 nan 8.280 nan 0.000 0.516 289 V N 1.235 121.154 119.914 0.009 0.000 2.307 289 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 289 V C 2.344 178.495 176.094 0.094 0.000 1.045 289 V CA 1.910 64.167 62.300 -0.072 0.000 1.024 289 V CB -0.572 31.032 31.823 -0.364 0.000 0.651 289 V HN 0.423 nan 8.190 nan 0.000 0.449 290 N N 0.214 118.972 118.700 0.096 0.000 2.069 290 N HA -0.265 4.475 4.740 -0.000 0.000 0.191 290 N C 1.870 177.492 175.510 0.186 0.000 1.031 290 N CA 1.890 55.025 53.050 0.142 0.000 0.852 290 N CB -0.207 38.335 38.487 0.092 0.000 1.018 290 N HN 0.405 nan 8.380 nan 0.000 0.423 291 Q N 0.040 119.937 119.800 0.160 0.000 2.079 291 Q HA 0.000 4.340 4.340 -0.000 0.000 0.200 291 Q C 2.001 178.118 176.000 0.196 0.000 0.974 291 Q CA 1.097 56.997 55.803 0.161 0.000 0.840 291 Q CB -0.699 28.133 28.738 0.157 0.000 0.898 291 Q HN 0.320 nan 8.270 nan 0.000 0.430 292 V N 0.224 120.290 119.914 0.254 0.000 2.407 292 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 292 V C 1.746 178.015 176.094 0.292 0.000 1.055 292 V CA 1.873 64.342 62.300 0.281 0.000 1.049 292 V CB -0.432 31.634 31.823 0.406 0.000 0.662 292 V HN 0.697 nan 8.190 nan 0.000 0.455 293 W N 0.564 121.969 121.300 0.176 0.000 2.379 293 W HA -0.131 4.529 4.660 -0.000 0.000 0.307 293 W C 2.259 178.883 176.519 0.176 0.000 1.200 293 W CA 1.800 59.261 57.345 0.194 0.000 1.297 293 W CB -0.151 29.397 29.460 0.146 0.000 1.140 293 W HN 0.352 nan 8.180 nan 0.000 0.507 294 E N -0.239 120.025 120.200 0.107 0.000 2.033 294 E HA -0.236 4.113 4.350 -0.000 0.000 0.199 294 E C 2.002 178.536 176.600 -0.111 0.000 1.011 294 E CA 2.638 59.029 56.400 -0.014 0.000 0.815 294 E CB -0.537 29.202 29.700 0.064 0.000 0.755 294 E HN 0.162 nan 8.360 nan 0.000 0.451 295 T N 1.156 115.695 114.554 -0.024 0.000 2.746 295 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 295 T C 1.563 176.205 174.700 -0.096 0.000 1.039 295 T CA 1.293 63.377 62.100 -0.027 0.000 1.142 295 T CB -0.480 68.421 68.868 0.057 0.000 0.866 295 T HN 0.215 nan 8.240 nan 0.000 0.444 296 F N 2.080 121.904 119.950 -0.209 0.000 2.126 296 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 296 F C 2.375 177.937 175.800 -0.395 0.000 1.096 296 F CA 1.786 59.619 58.000 -0.280 0.000 1.255 296 F CB -0.276 38.508 39.000 -0.361 0.000 0.997 296 F HN 0.188 nan 8.300 nan 0.000 0.479 297 E N 0.192 119.916 120.200 -0.794 0.000 2.072 297 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 297 E C 2.328 178.647 176.600 -0.470 0.000 0.982 297 E CA 1.362 57.291 56.400 -0.786 0.000 0.803 297 E CB -0.262 29.039 29.700 -0.666 0.000 0.755 297 E HN 0.603 nan 8.360 nan 0.000 0.453 298 E N 0.302 120.310 120.200 -0.321 0.000 2.051 298 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 298 E C 2.034 178.501 176.600 -0.221 0.000 0.991 298 E CA 1.865 58.138 56.400 -0.212 0.000 0.799 298 E CB -1.469 28.154 29.700 -0.129 0.000 0.748 298 E HN 0.399 nan 8.360 nan 0.000 0.449 299 T N -0.139 114.279 114.554 -0.227 0.000 2.708 299 T HA -0.079 4.270 4.350 -0.000 0.000 0.266 299 T C 1.797 176.333 174.700 -0.273 0.000 1.037 299 T CA 1.247 63.233 62.100 -0.190 0.000 1.146 299 T CB -0.500 68.301 68.868 -0.112 0.000 0.865 299 T HN 0.443 nan 8.240 nan 0.000 0.435 300 F N 2.095 121.692 119.950 -0.587 0.000 2.161 300 F HA -0.159 4.367 4.527 -0.000 0.000 0.300 300 F C 2.495 177.995 175.800 -0.500 0.000 1.089 300 F CA 1.182 58.825 58.000 -0.595 0.000 1.282 300 F CB -0.281 38.170 39.000 -0.914 0.000 1.010 300 F HN 0.054 nan 8.300 nan 0.000 0.485 301 S N 0.042 115.585 115.700 -0.261 0.000 2.368 301 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 301 S C 2.267 176.705 174.600 -0.270 0.000 1.029 301 S CA 1.311 59.349 58.200 -0.271 0.000 0.988 301 S CB -0.908 62.152 63.200 -0.234 0.000 0.838 301 S HN 0.620 nan 8.310 nan 0.000 0.462 302 E N 1.528 121.574 120.200 -0.257 0.000 2.077 302 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 302 E C 2.168 178.584 176.600 -0.306 0.000 0.989 302 E CA 1.390 57.665 56.400 -0.209 0.000 0.800 302 E CB -1.179 28.435 29.700 -0.145 0.000 0.746 302 E HN 0.598 nan 8.360 nan 0.000 0.452 303 A N -0.018 122.483 122.820 -0.532 0.000 1.902 303 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 303 A C 2.226 179.023 177.584 -1.312 0.000 1.181 303 A CA 1.681 53.166 52.037 -0.920 0.000 0.623 303 A CB -0.831 17.350 19.000 -1.366 0.000 0.818 303 A HN 0.798 nan 8.150 nan 0.000 0.443 304 W N 0.986 121.376 121.300 -1.517 0.000 2.358 304 W HA -0.175 4.484 4.660 -0.000 0.000 0.303 304 W C 1.934 178.209 176.519 -0.408 0.000 1.208 304 W CA 2.141 58.924 57.345 -0.936 0.000 1.274 304 W CB -0.388 28.670 29.460 -0.671 0.000 1.138 304 W HN 0.451 nan 8.180 nan 0.000 0.515 305 Q N 0.566 120.375 119.800 0.014 0.000 2.050 305 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 305 Q C 2.488 178.467 176.000 -0.035 0.000 0.980 305 Q CA 2.811 58.642 55.803 0.047 0.000 0.840 305 Q CB -1.321 27.422 28.738 0.008 0.000 0.898 305 Q HN 0.449 nan 8.270 nan 0.000 0.424 306 K N 1.138 121.484 120.400 -0.090 0.000 2.103 306 K HA -0.074 4.245 4.320 -0.000 0.000 0.204 306 K C 1.231 177.823 176.600 -0.013 0.000 1.052 306 K CA 1.672 57.932 56.287 -0.044 0.000 0.945 306 K CB 0.018 32.499 32.500 -0.032 0.000 0.722 306 K HN 0.172 nan 8.250 nan 0.000 0.443 307 D N -1.147 119.230 120.400 -0.038 0.000 2.539 307 D HA 0.124 4.764 4.640 -0.000 0.000 0.232 307 D C -0.454 175.941 176.300 0.159 0.000 1.256 307 D CA -0.028 54.036 54.000 0.106 0.000 0.810 307 D CB 0.597 41.579 40.800 0.303 0.000 1.090 307 D HN 0.309 nan 8.370 nan 0.000 0.519 308 S N 0.459 116.185 115.700 0.042 0.000 2.580 308 S HA 0.250 4.720 4.470 -0.000 0.000 0.274 308 S C 1.237 175.797 174.600 -0.066 0.000 1.329 308 S CA -0.315 57.871 58.200 -0.023 0.000 1.036 308 S CB 0.730 63.671 63.200 -0.432 0.000 0.919 308 S HN 0.135 nan 8.310 nan 0.000 0.515 309 L N 2.479 123.660 121.223 -0.070 0.000 2.556 309 L HA 0.236 4.575 4.340 -0.000 0.000 0.226 309 L C 0.806 177.646 176.870 -0.050 0.000 1.089 309 L CA -0.041 54.771 54.840 -0.047 0.000 0.864 309 L CB -0.105 41.932 42.059 -0.037 0.000 1.067 309 L HN 0.725 nan 8.230 nan 0.000 0.477 310 D N 0.666 121.035 120.400 -0.052 0.000 2.255 310 D HA 0.049 4.689 4.640 -0.000 0.000 0.249 310 D C 1.337 177.615 176.300 -0.036 0.000 1.078 310 D CA -0.210 53.782 54.000 -0.012 0.000 0.896 310 D CB 2.513 43.373 40.800 0.100 0.000 1.194 310 D HN -0.045 nan 8.370 nan 0.000 0.429 311 V N 1.375 121.218 119.914 -0.118 0.000 2.546 311 V HA -0.306 3.814 4.120 -0.000 0.000 0.254 311 V C 1.673 177.671 176.094 -0.159 0.000 1.076 311 V CA 1.095 63.278 62.300 -0.195 0.000 1.087 311 V CB -1.705 29.908 31.823 -0.350 0.000 0.674 311 V HN 0.614 nan 8.190 nan 0.000 0.470 312 Y N 0.704 121.032 120.300 0.045 0.000 2.544 312 Y HA 0.405 4.955 4.550 -0.001 0.000 0.286 312 Y C 2.647 178.721 175.900 0.290 0.000 1.141 312 Y CA 0.408 58.549 58.100 0.068 0.000 1.299 312 Y CB -0.301 38.101 38.460 -0.097 0.000 1.030 312 Y HN 0.275 nan 8.280 nan 0.000 0.543 313 A N 0.802 123.842 122.820 0.367 0.000 1.948 313 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 313 A C 1.705 179.647 177.584 0.598 0.000 1.177 313 A CA 1.969 54.232 52.037 0.377 0.000 0.636 313 A CB -0.421 18.450 19.000 -0.213 0.000 0.815 313 A HN 0.385 nan 8.150 nan 0.000 0.449 314 N N -0.382 118.527 118.700 0.348 0.000 2.270 314 N HA 0.193 4.933 4.740 -0.000 0.000 0.198 314 N C -0.155 175.499 175.510 0.240 0.000 1.117 314 N CA 0.015 53.232 53.050 0.279 0.000 0.845 314 N CB 0.062 38.646 38.487 0.162 0.000 0.980 314 N HN 0.489 nan 8.380 nan 0.000 0.486 315 I N 1.408 122.152 120.570 0.290 0.000 2.587 315 I HA -0.060 4.110 4.170 -0.000 0.000 0.284 315 I C 0.652 176.901 176.117 0.221 0.000 1.134 315 I CA -0.336 61.101 61.300 0.228 0.000 1.410 315 I CB 0.182 38.317 38.000 0.226 0.000 1.392 315 I HN -0.117 nan 8.210 nan 0.000 0.545 316 D N 5.253 125.740 120.400 0.144 0.000 2.493 316 D HA 0.225 4.865 4.640 -0.000 0.000 0.240 316 D C 1.039 177.405 176.300 0.111 0.000 1.142 316 D CA 1.539 55.603 54.000 0.107 0.000 0.872 316 D CB 0.794 41.635 40.800 0.069 0.000 1.173 316 D HN 0.801 nan 8.370 nan 0.000 0.467 317 G N 3.015 111.867 108.800 0.087 0.000 2.279 317 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.223 317 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.223 317 G C 0.973 175.954 174.900 0.135 0.000 1.015 317 G CA 0.401 45.551 45.100 0.084 0.000 0.621 317 G HN 0.539 nan 8.290 nan 0.000 0.506 318 Y N 1.345 121.672 120.300 0.045 0.000 2.133 318 Y HA 0.192 4.742 4.550 -0.001 0.000 0.287 318 Y C 2.661 178.524 175.900 -0.061 0.000 1.134 318 Y CA 2.182 60.330 58.100 0.080 0.000 1.133 318 Y CB -0.648 37.947 38.460 0.226 0.000 0.987 318 Y HN 0.412 nan 8.280 nan 0.000 0.502 319 L N -0.155 120.823 121.223 -0.409 0.000 2.012 319 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 319 L C 2.169 178.709 176.870 -0.551 0.000 1.073 319 L CA 2.778 57.011 54.840 -1.013 0.000 0.748 319 L CB -1.400 39.992 42.059 -1.111 0.000 0.891 319 L HN 0.266 nan 8.230 nan 0.000 0.431 320 T N -0.343 114.045 114.554 -0.277 0.000 2.684 320 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 320 T C 1.503 176.157 174.700 -0.077 0.000 1.036 320 T CA 1.698 63.713 62.100 -0.143 0.000 1.148 320 T CB -0.423 68.403 68.868 -0.070 0.000 0.863 320 T HN 0.414 nan 8.240 nan 0.000 0.436 321 D N 0.536 120.914 120.400 -0.036 0.000 2.178 321 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 321 D C 2.334 178.661 176.300 0.045 0.000 0.974 321 D CA 0.995 55.020 54.000 0.043 0.000 0.841 321 D CB -0.521 40.347 40.800 0.113 0.000 0.953 321 D HN 0.326 nan 8.370 nan 0.000 0.478 322 T N 0.776 115.279 114.554 -0.085 0.000 2.737 322 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 322 T C 2.189 176.900 174.700 0.018 0.000 1.038 322 T CA 0.518 62.585 62.100 -0.055 0.000 1.144 322 T CB -0.246 68.433 68.868 -0.315 0.000 0.866 322 T HN 0.115 nan 8.240 nan 0.000 0.434 323 L N 0.914 122.093 121.223 -0.073 0.000 2.131 323 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 323 L C 2.807 179.805 176.870 0.213 0.000 1.092 323 L CA 0.896 55.766 54.840 0.049 0.000 0.759 323 L CB -0.521 41.531 42.059 -0.011 0.000 0.903 323 L HN 0.233 nan 8.230 nan 0.000 0.435 324 S N -1.742 114.049 115.700 0.153 0.000 2.383 324 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 324 S C 1.933 176.679 174.600 0.243 0.000 1.026 324 S CA 0.912 59.229 58.200 0.195 0.000 0.981 324 S CB -0.425 62.857 63.200 0.136 0.000 0.818 324 S HN 0.508 nan 8.310 nan 0.000 0.472 325 H N 1.092 120.245 119.070 0.138 0.000 2.357 325 H HA 0.041 4.597 4.556 -0.001 0.000 0.301 325 H C 2.034 177.456 175.328 0.157 0.000 1.082 325 H CA 1.374 57.501 56.048 0.132 0.000 1.342 325 H CB -0.178 29.662 29.762 0.130 0.000 1.389 325 H HN 0.338 nan 8.280 nan 0.000 0.511 326 I N 0.247 120.898 120.570 0.136 0.000 2.163 326 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 326 I C 2.489 178.709 176.117 0.171 0.000 1.085 326 I CA 1.302 62.690 61.300 0.147 0.000 1.347 326 I CB -0.517 37.619 38.000 0.226 0.000 1.044 326 I HN 0.166 nan 8.210 nan 0.000 0.408 327 F N 1.787 121.770 119.950 0.054 0.000 2.095 327 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 327 F C 2.598 178.229 175.800 -0.282 0.000 1.104 327 F CA 2.266 60.082 58.000 -0.308 0.000 1.232 327 F CB -0.477 38.287 39.000 -0.393 0.000 0.987 327 F HN 0.142 nan 8.300 nan 0.000 0.475 328 E N -0.072 120.007 120.200 -0.202 0.000 2.051 328 E HA -0.229 4.120 4.350 -0.000 0.000 0.192 328 E C 2.133 178.534 176.600 -0.331 0.000 0.991 328 E CA 1.574 57.803 56.400 -0.285 0.000 0.799 328 E CB -0.361 29.275 29.700 -0.107 0.000 0.748 328 E HN 0.588 nan 8.360 nan 0.000 0.449 329 E N 0.216 120.220 120.200 -0.327 0.000 2.051 329 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 329 E C 2.119 178.542 176.600 -0.296 0.000 0.991 329 E CA 0.898 57.062 56.400 -0.394 0.000 0.799 329 E CB -0.179 29.368 29.700 -0.256 0.000 0.748 329 E HN 0.396 nan 8.360 nan 0.000 0.449 330 A N 1.582 124.360 122.820 -0.070 0.000 1.917 330 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 330 A C 2.101 179.608 177.584 -0.129 0.000 1.182 330 A CA 1.324 53.381 52.037 0.033 0.000 0.633 330 A CB -0.499 18.503 19.000 0.003 0.000 0.819 330 A HN 0.130 nan 8.150 nan 0.000 0.448 331 I N 0.060 120.388 120.570 -0.403 0.000 2.226 331 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 331 I C 2.690 178.688 176.117 -0.198 0.000 1.100 331 I CA 1.378 62.390 61.300 -0.481 0.000 1.374 331 I CB -2.101 35.427 38.000 -0.787 0.000 1.057 331 I HN 0.330 nan 8.210 nan 0.000 0.413 332 G N 0.278 108.952 108.800 -0.211 0.000 2.418 332 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 332 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 332 G C 1.565 176.450 174.900 -0.026 0.000 1.158 332 G CA 0.357 45.374 45.100 -0.139 0.000 0.771 332 G HN 0.220 nan 8.290 nan 0.000 0.545 333 F N 1.839 121.857 119.950 0.113 0.000 2.146 333 F HA 0.114 4.641 4.527 -0.000 0.000 0.298 333 F C 3.032 178.829 175.800 -0.004 0.000 1.096 333 F CA 0.398 58.472 58.000 0.123 0.000 1.275 333 F CB -0.885 38.224 39.000 0.181 0.000 1.008 333 F HN 0.243 nan 8.300 nan 0.000 0.480 334 A N 0.599 123.523 122.820 0.172 0.000 1.892 334 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 334 A C 2.639 180.340 177.584 0.196 0.000 1.188 334 A CA 2.149 54.285 52.037 0.165 0.000 0.631 334 A CB -1.635 17.498 19.000 0.222 0.000 0.822 334 A HN 0.414 nan 8.150 nan 0.000 0.447 335 G N -0.994 107.962 108.800 0.260 0.000 2.446 335 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.217 335 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.217 335 G C 1.622 176.587 174.900 0.109 0.000 1.168 335 G CA 1.339 46.544 45.100 0.176 0.000 0.771 335 G HN 0.544 nan 8.290 nan 0.000 0.551 336 C N 0.115 119.505 119.300 0.149 0.000 2.398 336 C HA -0.036 4.424 4.460 -0.000 0.000 0.276 336 C C 2.753 177.738 174.990 -0.008 0.000 1.222 336 C CA 1.287 60.384 59.018 0.132 0.000 1.746 336 C CB -0.705 27.078 27.740 0.072 0.000 2.039 336 C HN 0.655 nan 8.230 nan 0.000 0.470 337 E N 0.765 120.941 120.200 -0.040 0.000 2.077 337 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 337 E C 1.935 178.488 176.600 -0.079 0.000 0.989 337 E CA 1.255 57.603 56.400 -0.087 0.000 0.800 337 E CB -0.441 29.197 29.700 -0.104 0.000 0.746 337 E HN 0.595 nan 8.360 nan 0.000 0.452 338 L N -0.070 121.116 121.223 -0.062 0.000 1.989 338 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 338 L C 2.532 179.321 176.870 -0.134 0.000 1.071 338 L CA 1.397 56.179 54.840 -0.097 0.000 0.749 338 L CB -0.400 41.577 42.059 -0.136 0.000 0.890 338 L HN 0.228 nan 8.230 nan 0.000 0.431 339 I N -0.780 119.707 120.570 -0.138 0.000 2.179 339 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 339 I C 2.879 178.875 176.117 -0.202 0.000 1.088 339 I CA 1.175 62.355 61.300 -0.200 0.000 1.357 339 I CB -0.421 37.427 38.000 -0.252 0.000 1.051 339 I HN 0.291 nan 8.210 nan 0.000 0.409 340 R N 1.241 121.645 120.500 -0.161 0.000 2.081 340 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 340 R C 2.140 178.397 176.300 -0.072 0.000 1.131 340 R CA 1.476 57.507 56.100 -0.115 0.000 0.960 340 R CB -0.253 29.989 30.300 -0.096 0.000 0.856 340 R HN 0.207 nan 8.270 nan 0.000 0.436 341 R N 0.047 120.490 120.500 -0.096 0.000 2.235 341 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 341 R C 1.847 178.029 176.300 -0.196 0.000 1.059 341 R CA 1.210 57.254 56.100 -0.093 0.000 0.997 341 R CB -0.462 29.776 30.300 -0.102 0.000 0.884 341 R HN 0.328 nan 8.270 nan 0.000 0.462 342 T N 0.704 115.123 114.554 -0.225 0.000 2.983 342 T HA 0.081 4.431 4.350 -0.000 0.000 0.250 342 T C 1.739 176.237 174.700 -0.338 0.000 1.037 342 T CA 0.930 62.843 62.100 -0.312 0.000 1.142 342 T CB 0.181 68.905 68.868 -0.240 0.000 0.876 342 T HN 0.415 nan 8.240 nan 0.000 0.455 343 I N -1.536 118.945 120.570 -0.149 0.000 4.338 343 I HA 0.556 4.726 4.170 -0.000 0.000 0.329 343 I C 0.950 177.236 176.117 0.281 0.000 1.378 343 I CA -0.671 60.674 61.300 0.074 0.000 1.170 343 I CB 0.244 38.190 38.000 -0.090 0.000 1.206 343 I HN 0.051 nan 8.210 nan 0.000 0.432 344 G N 0.982 109.901 108.800 0.198 0.000 2.531 344 G HA2 0.323 4.283 3.960 -0.000 0.000 0.281 344 G HA3 0.323 4.283 3.960 -0.000 0.000 0.281 344 G C 0.531 175.584 174.900 0.254 0.000 1.382 344 G CA -0.579 44.651 45.100 0.217 0.000 1.045 344 G HN 0.170 nan 8.290 nan 0.000 0.533 345 L N -0.520 120.788 121.223 0.142 0.000 2.012 345 L HA 0.081 4.421 4.340 -0.000 0.000 0.210 345 L C 1.752 178.614 176.870 -0.013 0.000 1.073 345 L CA 1.509 56.378 54.840 0.048 0.000 0.748 345 L CB -0.310 41.777 42.059 0.046 0.000 0.891 345 L HN 0.469 nan 8.230 nan 0.000 0.431 346 A N -0.713 122.142 122.820 0.058 0.000 2.280 346 A HA 0.377 4.697 4.320 -0.000 0.000 0.320 346 A C -0.656 177.012 177.584 0.139 0.000 1.366 346 A CA -0.488 51.566 52.037 0.028 0.000 0.938 346 A CB -0.060 18.933 19.000 -0.012 0.000 1.157 346 A HN 0.473 nan 8.150 nan 0.000 0.536 347 H N 0.312 119.358 119.070 -0.040 0.000 2.580 347 H HA 0.615 5.170 4.556 -0.000 0.000 0.324 347 H C 0.056 175.344 175.328 -0.067 0.000 1.436 347 H CA -0.825 55.196 56.048 -0.044 0.000 1.464 347 H CB 1.710 31.461 29.762 -0.018 0.000 1.752 347 H HN 0.583 nan 8.280 nan 0.000 0.726 348 V N -1.481 118.471 119.914 0.063 0.000 2.715 348 V HA 0.530 4.649 4.120 -0.000 0.000 0.310 348 V C 0.763 176.868 176.094 0.019 0.000 1.054 348 V CA -0.457 61.846 62.300 0.005 0.000 0.928 348 V CB 1.208 33.007 31.823 -0.039 0.000 1.007 348 V HN 0.957 nan 8.190 nan 0.000 0.437 349 A N 1.633 124.463 122.820 0.016 0.000 2.015 349 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 349 A C 1.457 179.042 177.584 0.002 0.000 1.163 349 A CA 1.747 53.795 52.037 0.018 0.000 0.646 349 A CB -0.848 18.162 19.000 0.018 0.000 0.806 349 A HN 1.026 nan 8.150 nan 0.000 0.448 350 D N 0.426 120.819 120.400 -0.011 0.000 2.133 350 D HA -0.199 4.440 4.640 -0.000 0.000 0.192 350 D C 1.738 178.019 176.300 -0.032 0.000 1.001 350 D CA 1.503 55.488 54.000 -0.024 0.000 0.844 350 D CB -0.273 40.506 40.800 -0.035 0.000 0.944 350 D HN 0.468 nan 8.370 nan 0.000 0.447 351 L N 0.038 121.236 121.223 -0.042 0.000 2.127 351 L HA -0.032 4.307 4.340 -0.000 0.000 0.203 351 L C 1.473 178.316 176.870 -0.045 0.000 1.080 351 L CA 0.851 55.653 54.840 -0.063 0.000 0.768 351 L CB -0.152 41.844 42.059 -0.104 0.000 0.924 351 L HN -0.096 nan 8.230 nan 0.000 0.444 352 D N -0.581 119.814 120.400 -0.008 0.000 2.312 352 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 352 D C 1.921 178.241 176.300 0.033 0.000 0.964 352 D CA 1.386 55.407 54.000 0.035 0.000 0.877 352 D CB 0.098 40.956 40.800 0.097 0.000 0.924 352 D HN 0.345 nan 8.370 nan 0.000 0.515 353 T N -2.482 112.081 114.554 0.015 0.000 3.054 353 T HA 0.218 4.568 4.350 -0.000 0.000 0.255 353 T C 0.977 175.680 174.700 0.006 0.000 1.035 353 T CA -0.385 61.725 62.100 0.017 0.000 0.941 353 T CB -0.050 68.827 68.868 0.014 0.000 1.026 353 T HN -0.043 nan 8.240 nan 0.000 0.533 354 I N 3.573 124.136 120.570 -0.012 0.000 2.826 354 I HA 0.153 4.323 4.170 -0.000 0.000 0.295 354 I C 0.326 176.438 176.117 -0.009 0.000 1.213 354 I CA -0.150 61.136 61.300 -0.023 0.000 1.436 354 I CB 0.493 38.462 38.000 -0.052 0.000 1.348 354 I HN 0.179 nan 8.210 nan 0.000 0.570 355 V N 5.261 125.174 119.914 -0.002 0.000 2.823 355 V HA 0.685 4.805 4.120 -0.000 0.000 0.312 355 V C -2.325 173.772 176.094 0.006 0.000 1.072 355 V CA -1.847 60.463 62.300 0.017 0.000 0.937 355 V CB 1.305 33.143 31.823 0.026 0.000 1.013 355 V HN 0.553 nan 8.190 nan 0.000 0.430 356 P HA 0.239 nan 4.420 nan 0.000 0.275 356 P C 0.681 178.030 177.300 0.081 0.000 1.266 356 P CA -0.332 62.804 63.100 0.061 0.000 0.793 356 P CB 0.687 32.423 31.700 0.062 0.000 1.074 357 F N 0.996 120.943 119.950 -0.004 0.000 2.115 357 F HA -0.274 4.252 4.527 -0.001 0.000 0.300 357 F C 1.675 177.472 175.800 -0.005 0.000 1.092 357 F CA 2.163 60.163 58.000 -0.001 0.000 1.245 357 F CB -0.508 38.495 39.000 0.005 0.000 0.995 357 F HN 0.148 nan 8.300 nan 0.000 0.481 358 D N 0.121 120.545 120.400 0.039 0.000 2.144 358 D HA -0.183 4.456 4.640 -0.000 0.000 0.200 358 D C 2.198 178.419 176.300 -0.132 0.000 0.978 358 D CA 1.374 55.341 54.000 -0.055 0.000 0.833 358 D CB -0.347 40.482 40.800 0.049 0.000 0.961 358 D HN 0.382 nan 8.370 nan 0.000 0.470 359 K N 0.817 121.160 120.400 -0.094 0.000 2.057 359 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 359 K C 2.147 178.656 176.600 -0.152 0.000 1.050 359 K CA 0.676 56.901 56.287 -0.104 0.000 0.935 359 K CB 0.165 32.627 32.500 -0.063 0.000 0.715 359 K HN -0.097 nan 8.250 nan 0.000 0.439 360 R N 0.625 121.019 120.500 -0.177 0.000 2.094 360 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 360 R C 2.064 178.194 176.300 -0.283 0.000 1.137 360 R CA 1.838 57.810 56.100 -0.213 0.000 0.943 360 R CB -0.261 29.907 30.300 -0.220 0.000 0.850 360 R HN 0.220 nan 8.270 nan 0.000 0.433 361 I N 0.543 120.871 120.570 -0.405 0.000 2.208 361 I HA -0.160 4.009 4.170 -0.000 0.000 0.245 361 I C 2.496 178.444 176.117 -0.281 0.000 1.097 361 I CA 1.721 62.809 61.300 -0.353 0.000 1.363 361 I CB -1.806 35.974 38.000 -0.365 0.000 1.051 361 I HN 0.425 nan 8.210 nan 0.000 0.413 362 G N 0.823 109.471 108.800 -0.255 0.000 2.422 362 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.218 362 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.218 362 G C 1.788 176.531 174.900 -0.263 0.000 1.146 362 G CA 0.202 45.144 45.100 -0.262 0.000 0.769 362 G HN 0.217 nan 8.290 nan 0.000 0.547 363 R N 0.533 120.904 120.500 -0.215 0.000 2.115 363 R HA 0.095 4.434 4.340 -0.000 0.000 0.226 363 R C 2.409 178.583 176.300 -0.210 0.000 1.100 363 R CA 0.678 56.664 56.100 -0.189 0.000 0.980 363 R CB -0.379 29.839 30.300 -0.137 0.000 0.875 363 R HN 0.374 nan 8.270 nan 0.000 0.445 364 K N 0.350 120.614 120.400 -0.227 0.000 2.103 364 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 364 K C 2.134 178.568 176.600 -0.276 0.000 1.052 364 K CA 0.742 56.891 56.287 -0.231 0.000 0.945 364 K CB -0.094 32.277 32.500 -0.215 0.000 0.722 364 K HN 0.044 nan 8.250 nan 0.000 0.443 365 R N 1.484 121.774 120.500 -0.350 0.000 2.096 365 R HA -0.152 4.187 4.340 -0.000 0.000 0.240 365 R C 2.130 178.189 176.300 -0.401 0.000 1.139 365 R CA 1.387 57.199 56.100 -0.479 0.000 0.952 365 R CB -0.323 29.503 30.300 -0.791 0.000 0.854 365 R HN 0.127 nan 8.270 nan 0.000 0.436 366 L N 0.214 121.221 121.223 -0.361 0.000 2.141 366 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 366 L C 2.732 179.392 176.870 -0.350 0.000 1.094 366 L CA 1.039 55.664 54.840 -0.358 0.000 0.763 366 L CB -0.506 41.343 42.059 -0.350 0.000 0.908 366 L HN 0.346 nan 8.230 nan 0.000 0.437 367 A N 0.466 123.121 122.820 -0.276 0.000 1.877 367 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 367 A C 2.255 179.687 177.584 -0.253 0.000 1.186 367 A CA 1.398 53.298 52.037 -0.229 0.000 0.620 367 A CB -0.699 18.191 19.000 -0.183 0.000 0.822 367 A HN 0.329 nan 8.150 nan 0.000 0.443 368 L N -0.766 120.303 121.223 -0.257 0.000 2.012 368 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 368 L C 2.648 179.382 176.870 -0.227 0.000 1.073 368 L CA 1.983 56.678 54.840 -0.242 0.000 0.748 368 L CB -0.671 41.239 42.059 -0.249 0.000 0.891 368 L HN 0.486 nan 8.230 nan 0.000 0.431 369 E N -0.563 119.483 120.200 -0.256 0.000 2.107 369 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 369 E C 2.145 178.586 176.600 -0.266 0.000 0.982 369 E CA 1.667 57.927 56.400 -0.234 0.000 0.809 369 E CB -0.064 29.486 29.700 -0.251 0.000 0.756 369 E HN 0.605 nan 8.360 nan 0.000 0.459 370 T N -1.769 112.554 114.554 -0.385 0.000 2.904 370 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 370 T C 2.041 176.373 174.700 -0.612 0.000 1.059 370 T CA 0.922 62.694 62.100 -0.547 0.000 1.137 370 T CB -0.392 68.011 68.868 -0.776 0.000 0.879 370 T HN 0.176 nan 8.240 nan 0.000 0.467 371 G N 1.353 109.910 108.800 -0.405 0.000 2.402 371 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.216 371 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.216 371 G C 1.697 176.569 174.900 -0.047 0.000 1.162 371 G CA 1.249 46.208 45.100 -0.234 0.000 0.777 371 G HN 0.507 nan 8.290 nan 0.000 0.539 372 T N 1.823 116.344 114.554 -0.055 0.000 2.684 372 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 372 T C 2.817 177.545 174.700 0.047 0.000 1.036 372 T CA 1.696 63.806 62.100 0.016 0.000 1.148 372 T CB -0.437 68.416 68.868 -0.025 0.000 0.863 372 T HN 0.366 nan 8.240 nan 0.000 0.436 373 A N 1.055 123.893 122.820 0.030 0.000 1.902 373 A HA -0.031 4.288 4.320 -0.000 0.000 0.217 373 A C 1.999 179.766 177.584 0.304 0.000 1.181 373 A CA 1.312 53.419 52.037 0.116 0.000 0.623 373 A CB -0.923 18.138 19.000 0.102 0.000 0.818 373 A HN 0.392 nan 8.150 nan 0.000 0.443 374 F N 0.040 120.024 119.950 0.057 0.000 2.102 374 F HA -0.124 4.402 4.527 -0.001 0.000 0.298 374 F C 2.235 178.070 175.800 0.058 0.000 1.105 374 F CA 0.680 58.732 58.000 0.087 0.000 1.239 374 F CB -0.888 38.093 39.000 -0.031 0.000 0.991 374 F HN 0.128 nan 8.300 nan 0.000 0.474 375 I N -0.213 120.492 120.570 0.226 0.000 2.127 375 I HA -0.288 3.881 4.170 -0.000 0.000 0.241 375 I C 2.278 178.425 176.117 0.049 0.000 1.075 375 I CA 1.577 62.939 61.300 0.104 0.000 1.334 375 I CB -0.493 37.566 38.000 0.098 0.000 1.040 375 I HN 0.154 nan 8.210 nan 0.000 0.405 376 E N 0.598 120.827 120.200 0.049 0.000 2.208 376 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 376 E C 1.612 178.180 176.600 -0.053 0.000 0.988 376 E CA 0.843 57.240 56.400 -0.005 0.000 0.828 376 E CB 0.084 29.780 29.700 -0.007 0.000 0.763 376 E HN 0.481 nan 8.360 nan 0.000 0.478 377 K N 0.534 120.895 120.400 -0.064 0.000 2.358 377 K HA 0.090 4.410 4.320 -0.000 0.000 0.200 377 K C 1.754 178.150 176.600 -0.339 0.000 1.030 377 K CA -0.183 55.938 56.287 -0.277 0.000 1.097 377 K CB 0.406 32.621 32.500 -0.475 0.000 0.862 377 K HN 0.055 nan 8.250 nan 0.000 0.534 378 R N 0.911 121.378 120.500 -0.054 0.000 2.154 378 R HA -0.153 4.187 4.340 -0.000 0.000 0.248 378 R C 1.834 178.108 176.300 -0.043 0.000 1.155 378 R CA 2.139 58.252 56.100 0.022 0.000 0.979 378 R CB -0.708 29.541 30.300 -0.084 0.000 0.869 378 R HN 0.074 nan 8.270 nan 0.000 0.452 379 S N -0.512 115.129 115.700 -0.098 0.000 2.575 379 S HA 0.097 4.567 4.470 -0.000 0.000 0.215 379 S C 1.163 175.714 174.600 -0.082 0.000 0.966 379 S CA -0.109 58.057 58.200 -0.058 0.000 0.911 379 S CB 0.514 63.693 63.200 -0.036 0.000 0.780 379 S HN 0.507 nan 8.310 nan 0.000 0.514 380 E N 0.127 120.194 120.200 -0.222 0.000 2.276 380 E HA 0.249 4.598 4.350 -0.000 0.000 0.193 380 E C -0.552 175.921 176.600 -0.213 0.000 0.983 380 E CA -0.101 56.147 56.400 -0.252 0.000 0.861 380 E CB 0.069 29.548 29.700 -0.368 0.000 0.817 380 E HN 0.585 nan 8.360 nan 0.000 0.485 381 F N 0.714 120.636 119.950 -0.047 0.000 2.563 381 F HA 0.092 4.618 4.527 -0.000 0.000 0.363 381 F C 1.688 177.563 175.800 0.124 0.000 1.123 381 F CA 0.404 58.409 58.000 0.009 0.000 1.307 381 F CB 0.519 39.484 39.000 -0.059 0.000 1.115 381 F HN -0.089 nan 8.300 nan 0.000 0.592 382 K N 0.838 121.402 120.400 0.274 0.000 2.313 382 K HA 0.240 4.559 4.320 -0.000 0.000 0.197 382 K C 0.644 177.240 176.600 -0.008 0.000 1.061 382 K CA 1.167 57.533 56.287 0.130 0.000 0.980 382 K CB -0.058 32.475 32.500 0.055 0.000 0.888 382 K HN 0.750 nan 8.250 nan 0.000 0.502 383 T N -3.740 110.821 114.554 0.011 0.000 2.865 383 T HA 0.477 4.827 4.350 -0.000 0.000 0.294 383 T C 0.790 175.445 174.700 -0.076 0.000 1.119 383 T CA -0.080 61.893 62.100 -0.211 0.000 1.007 383 T CB 1.308 70.117 68.868 -0.099 0.000 1.225 383 T HN 0.043 nan 8.240 nan 0.000 0.515 384 I N 1.432 121.871 120.570 -0.218 0.000 2.264 384 I HA -0.075 4.095 4.170 -0.000 0.000 0.248 384 I C 2.381 178.497 176.117 -0.002 0.000 1.111 384 I CA 2.062 63.338 61.300 -0.040 0.000 1.382 384 I CB -0.823 37.181 38.000 0.007 0.000 1.060 384 I HN 0.924 nan 8.210 nan 0.000 0.418 385 T N 0.570 115.130 114.554 0.009 0.000 2.699 385 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 385 T C 1.556 176.274 174.700 0.029 0.000 1.036 385 T CA 1.797 63.909 62.100 0.019 0.000 1.147 385 T CB -0.433 68.446 68.868 0.020 0.000 0.862 385 T HN 0.398 nan 8.240 nan 0.000 0.446 386 D N 0.653 121.089 120.400 0.061 0.000 2.144 386 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 386 D C 2.257 178.607 176.300 0.083 0.000 0.984 386 D CA 0.622 54.707 54.000 0.142 0.000 0.834 386 D CB -0.553 40.422 40.800 0.292 0.000 0.955 386 D HN 0.235 nan 8.370 nan 0.000 0.465 387 V N 1.172 120.963 119.914 -0.205 0.000 2.261 387 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 387 V C 2.540 178.591 176.094 -0.073 0.000 1.047 387 V CA 1.229 63.192 62.300 -0.562 0.000 1.015 387 V CB -0.467 30.869 31.823 -0.811 0.000 0.642 387 V HN 0.142 nan 8.190 nan 0.000 0.446 388 I N -0.160 120.446 120.570 0.059 0.000 2.127 388 I HA -0.233 3.937 4.170 -0.000 0.000 0.241 388 I C 2.664 178.800 176.117 0.031 0.000 1.075 388 I CA 1.552 62.922 61.300 0.116 0.000 1.334 388 I CB -0.592 37.416 38.000 0.013 0.000 1.040 388 I HN 0.264 nan 8.210 nan 0.000 0.405 389 E N 0.571 120.779 120.200 0.014 0.000 2.085 389 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 389 E C 2.082 178.715 176.600 0.057 0.000 0.994 389 E CA 1.185 57.593 56.400 0.013 0.000 0.801 389 E CB -0.666 29.048 29.700 0.022 0.000 0.743 389 E HN 0.344 nan 8.360 nan 0.000 0.453 390 L N 0.050 121.348 121.223 0.125 0.000 2.017 390 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 390 L C 2.258 179.201 176.870 0.123 0.000 1.073 390 L CA 1.525 56.461 54.840 0.161 0.000 0.745 390 L CB -0.714 41.540 42.059 0.325 0.000 0.894 390 L HN 0.065 nan 8.230 nan 0.000 0.432 391 F N 0.446 120.400 119.950 0.007 0.000 2.069 391 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 391 F C 2.416 178.165 175.800 -0.085 0.000 1.113 391 F CA 2.053 59.990 58.000 -0.105 0.000 1.214 391 F CB -0.256 38.606 39.000 -0.230 0.000 0.978 391 F HN 0.023 nan 8.300 nan 0.000 0.474 392 K N -0.085 120.385 120.400 0.117 0.000 2.044 392 K HA -0.249 4.070 4.320 -0.000 0.000 0.210 392 K C 1.987 178.563 176.600 -0.040 0.000 1.049 392 K CA 1.895 58.190 56.287 0.013 0.000 0.927 392 K CB -0.792 31.651 32.500 -0.095 0.000 0.713 392 K HN 0.306 nan 8.250 nan 0.000 0.443 393 L N 1.078 122.274 121.223 -0.045 0.000 1.994 393 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 393 L C 1.999 178.805 176.870 -0.107 0.000 1.071 393 L CA 1.518 56.324 54.840 -0.057 0.000 0.745 393 L CB -0.376 41.663 42.059 -0.032 0.000 0.892 393 L HN 0.033 nan 8.230 nan 0.000 0.431 394 L N -0.721 120.404 121.223 -0.163 0.000 2.131 394 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 394 L C 2.328 179.029 176.870 -0.281 0.000 1.092 394 L CA 1.736 56.438 54.840 -0.231 0.000 0.759 394 L CB -0.947 40.933 42.059 -0.298 0.000 0.903 394 L HN 0.436 nan 8.230 nan 0.000 0.435 395 V N -4.679 115.044 119.914 -0.319 0.000 3.649 395 V HA 0.101 4.221 4.120 -0.000 0.000 0.275 395 V C 1.403 177.415 176.094 -0.135 0.000 1.281 395 V CA -0.386 61.745 62.300 -0.282 0.000 1.143 395 V CB -0.762 30.844 31.823 -0.362 0.000 0.892 395 V HN 0.152 nan 8.190 nan 0.000 0.441 396 K N 0.000 120.339 120.400 -0.102 0.000 2.780 396 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 396 K CA 0.000 56.250 56.287 -0.061 0.000 0.838 396 K CB 0.000 32.470 32.500 -0.051 0.000 1.064 396 K HN 0.000 nan 8.250 nan 0.000 0.543