REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q3g_1_Y DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTAMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 D N 3.810 124.236 120.400 0.043 0.000 2.449 2 D HA 0.375 5.015 4.640 0.000 0.000 0.236 2 D C -0.326 175.980 176.300 0.010 0.000 1.149 2 D CA 0.880 54.902 54.000 0.035 0.000 0.878 2 D CB 0.732 41.548 40.800 0.027 0.000 1.198 2 D HN 0.528 nan 8.370 nan 0.000 0.446 3 K N 0.551 120.976 120.400 0.041 0.000 2.495 3 K HA 0.498 4.818 4.320 0.000 0.000 0.268 3 K C -0.891 175.847 176.600 0.231 0.000 1.008 3 K CA -0.790 55.524 56.287 0.044 0.000 0.882 3 K CB 1.962 34.500 32.500 0.064 0.000 1.443 3 K HN 0.295 nan 8.250 nan 0.000 0.447 4 F N 1.133 121.083 119.950 0.000 0.000 2.467 4 F HA 0.415 4.942 4.527 0.000 0.000 0.336 4 F C 0.104 175.901 175.800 -0.006 0.000 1.123 4 F CA -1.038 56.959 58.000 -0.005 0.000 0.964 4 F CB 2.046 41.036 39.000 -0.017 0.000 1.136 4 F HN 0.230 nan 8.300 nan 0.000 0.447 5 R N 3.781 124.365 120.500 0.139 0.000 2.265 5 R HA 0.607 4.947 4.340 0.000 0.000 0.328 5 R C -1.780 174.521 176.300 0.001 0.000 0.969 5 R CA -0.383 55.753 56.100 0.059 0.000 0.832 5 R CB 1.360 31.683 30.300 0.037 0.000 1.139 5 R HN 0.470 nan 8.270 nan 0.000 0.457 6 V N 4.723 124.642 119.914 0.009 0.000 2.604 6 V HA 0.344 4.464 4.120 0.000 0.000 0.305 6 V C -0.531 175.555 176.094 -0.012 0.000 1.043 6 V CA -0.825 61.463 62.300 -0.019 0.000 0.888 6 V CB 1.897 33.715 31.823 -0.008 0.000 0.995 6 V HN 0.774 nan 8.190 nan 0.000 0.429 7 Q N 2.232 122.019 119.800 -0.022 0.000 2.333 7 Q HA 0.751 5.091 4.340 0.000 0.000 0.267 7 Q C 0.010 176.001 176.000 -0.015 0.000 1.012 7 Q CA -0.485 55.309 55.803 -0.014 0.000 0.824 7 Q CB 2.745 31.474 28.738 -0.015 0.000 1.290 7 Q HN 0.950 nan 8.270 nan 0.000 0.449 8 G N 1.979 110.773 108.800 -0.010 0.000 2.949 8 G HA2 0.682 4.642 3.960 0.000 0.000 0.285 8 G HA3 0.682 4.642 3.960 0.000 0.000 0.285 8 G C -2.924 171.972 174.900 -0.006 0.000 1.395 8 G CA -1.238 43.856 45.100 -0.009 0.000 0.901 8 G HN 0.351 nan 8.290 nan 0.000 0.519 9 P HA 0.367 nan 4.420 nan 0.000 0.281 9 P C -0.724 176.572 177.300 -0.006 0.000 1.249 9 P CA -0.053 63.044 63.100 -0.005 0.000 0.810 9 P CB 1.581 33.279 31.700 -0.003 0.000 1.008 10 T N -0.806 113.744 114.554 -0.007 0.000 2.991 10 T HA 0.368 4.719 4.350 0.000 0.000 0.303 10 T C -0.311 174.387 174.700 -0.004 0.000 1.015 10 T CA -1.023 61.073 62.100 -0.006 0.000 1.007 10 T CB 1.204 70.066 68.868 -0.010 0.000 1.034 10 T HN 0.422 nan 8.240 nan 0.000 0.446 11 R N 3.692 124.190 120.500 -0.002 0.000 2.351 11 R HA 0.405 4.745 4.340 0.000 0.000 0.318 11 R C -0.455 175.846 176.300 0.001 0.000 1.055 11 R CA -0.554 55.546 56.100 -0.001 0.000 0.968 11 R CB 0.077 30.376 30.300 -0.000 0.000 0.974 11 R HN 0.696 nan 8.270 nan 0.000 0.439 12 L N 6.211 127.438 121.223 0.008 0.000 2.319 12 L HA 0.258 4.598 4.340 0.000 0.000 0.280 12 L C 0.136 177.015 176.870 0.016 0.000 1.099 12 L CA -0.002 54.849 54.840 0.019 0.000 0.828 12 L CB 0.897 42.981 42.059 0.042 0.000 1.150 12 L HN 0.783 nan 8.230 nan 0.000 0.442 13 Q N 2.769 122.573 119.800 0.007 0.000 2.756 13 Q HA 0.737 5.077 4.340 0.000 0.000 0.295 13 Q C -0.388 175.601 176.000 -0.018 0.000 0.903 13 Q CA -0.398 55.403 55.803 -0.004 0.000 0.768 13 Q CB 2.401 31.132 28.738 -0.010 0.000 1.472 13 Q HN 0.680 nan 8.270 nan 0.000 0.416 14 G N 0.619 109.402 108.800 -0.027 0.000 2.317 14 G HA2 -0.029 3.931 3.960 0.000 0.000 0.196 14 G HA3 -0.029 3.931 3.960 0.000 0.000 0.196 14 G C -1.433 173.434 174.900 -0.055 0.000 1.255 14 G CA -0.185 44.890 45.100 -0.042 0.000 1.243 14 G HN 0.703 nan 8.290 nan 0.000 0.535 15 E N -1.478 118.676 120.200 -0.076 0.000 2.369 15 E HA 0.658 5.008 4.350 0.000 0.000 0.270 15 E C -1.470 175.042 176.600 -0.147 0.000 0.909 15 E CA -0.709 55.636 56.400 -0.092 0.000 0.775 15 E CB 3.173 32.824 29.700 -0.081 0.000 1.270 15 E HN 0.979 nan 8.360 nan 0.000 0.445 16 V N 0.894 120.703 119.914 -0.176 0.000 2.969 16 V HA 0.423 4.543 4.120 0.000 0.000 0.304 16 V C -1.513 174.479 176.094 -0.171 0.000 1.192 16 V CA -0.272 61.861 62.300 -0.279 0.000 0.962 16 V CB 2.488 33.924 31.823 -0.644 0.000 1.045 16 V HN 0.709 nan 8.190 nan 0.000 0.428 17 T N 7.461 121.933 114.554 -0.136 0.000 2.756 17 T HA 0.527 4.877 4.350 0.000 0.000 0.290 17 T C -0.139 174.543 174.700 -0.031 0.000 0.985 17 T CA -0.269 61.798 62.100 -0.056 0.000 0.955 17 T CB 0.590 69.438 68.868 -0.034 0.000 0.930 17 T HN 0.483 nan 8.240 nan 0.000 0.451 18 I N 3.216 123.794 120.570 0.012 0.000 2.648 18 I HA 0.124 4.294 4.170 0.000 0.000 0.284 18 I C 1.175 177.318 176.117 0.043 0.000 1.153 18 I CA 0.171 61.506 61.300 0.058 0.000 1.426 18 I CB 0.249 38.295 38.000 0.076 0.000 1.381 18 I HN 0.565 nan 8.210 nan 0.000 0.571 19 S N 3.976 119.709 115.700 0.056 0.000 2.686 19 S HA 0.511 4.982 4.470 0.000 0.000 0.270 19 S C 0.642 175.248 174.600 0.009 0.000 1.194 19 S CA -0.578 57.640 58.200 0.030 0.000 0.990 19 S CB 1.191 64.416 63.200 0.042 0.000 1.029 19 S HN 0.851 nan 8.310 nan 0.000 0.560 20 G N 0.169 108.963 108.800 -0.009 0.000 2.491 20 G HA2 0.431 4.391 3.960 0.000 0.000 0.238 20 G HA3 0.431 4.391 3.960 0.000 0.000 0.238 20 G C -0.048 174.837 174.900 -0.024 0.000 1.277 20 G CA -0.317 44.769 45.100 -0.023 0.000 0.851 20 G HN 0.891 nan 8.290 nan 0.000 0.573 21 A N 1.516 124.321 122.820 -0.026 0.000 2.491 21 A HA 0.260 4.580 4.320 0.000 0.000 0.261 21 A C 1.636 179.204 177.584 -0.027 0.000 1.101 21 A CA 0.306 52.325 52.037 -0.030 0.000 0.772 21 A CB 0.283 19.268 19.000 -0.026 0.000 1.043 21 A HN 0.926 nan 8.150 nan 0.000 0.501 22 K N 2.543 122.922 120.400 -0.035 0.000 2.032 22 K HA -0.176 4.144 4.320 0.000 0.000 0.209 22 K C 0.498 177.119 176.600 0.035 0.000 1.048 22 K CA 1.961 58.240 56.287 -0.012 0.000 0.927 22 K CB -0.124 32.352 32.500 -0.039 0.000 0.712 22 K HN 0.716 nan 8.250 nan 0.000 0.441 23 N N 0.077 118.800 118.700 0.038 0.000 2.434 23 N HA 0.016 4.756 4.740 0.000 0.000 0.196 23 N C 0.516 176.056 175.510 0.049 0.000 1.183 23 N CA 0.727 53.836 53.050 0.098 0.000 0.849 23 N CB 0.857 39.405 38.487 0.102 0.000 0.992 23 N HN 0.371 nan 8.380 nan 0.000 0.460 24 A N -0.149 122.670 122.820 -0.001 0.000 1.997 24 A HA 0.461 4.782 4.320 0.000 0.000 0.198 24 A C 2.103 179.637 177.584 -0.084 0.000 1.449 24 A CA 0.648 52.656 52.037 -0.049 0.000 0.908 24 A CB -0.370 18.613 19.000 -0.028 0.000 0.984 24 A HN 0.176 nan 8.150 nan 0.000 0.487 25 A N 0.451 123.238 122.820 -0.056 0.000 1.877 25 A HA -0.032 4.288 4.320 0.000 0.000 0.216 25 A C 2.114 179.660 177.584 -0.065 0.000 1.186 25 A CA 1.550 53.536 52.037 -0.085 0.000 0.620 25 A CB -0.721 18.244 19.000 -0.058 0.000 0.822 25 A HN 0.439 nan 8.150 nan 0.000 0.443 26 L N -0.052 121.200 121.223 0.047 0.000 1.976 26 L HA -0.123 4.218 4.340 0.000 0.000 0.209 26 L C -0.189 176.800 176.870 0.199 0.000 1.071 26 L CA 1.879 56.847 54.840 0.214 0.000 0.746 26 L CB -1.444 40.879 42.059 0.439 0.000 0.890 26 L HN 0.310 nan 8.230 nan 0.000 0.432 27 P HA -0.169 nan 4.420 nan 0.000 0.218 27 P C 1.806 178.945 177.300 -0.268 0.000 1.149 27 P CA 1.612 64.359 63.100 -0.587 0.000 0.817 27 P CB 0.045 31.138 31.700 -1.013 0.000 0.785 28 I N -0.732 119.680 120.570 -0.265 0.000 2.353 28 I HA -0.174 3.996 4.170 0.000 0.000 0.248 28 I C 2.622 178.519 176.117 -0.367 0.000 1.119 28 I CA 0.973 62.016 61.300 -0.429 0.000 1.417 28 I CB -0.509 37.083 38.000 -0.680 0.000 1.078 28 I HN -0.144 nan 8.210 nan 0.000 0.421 29 L N -0.367 120.711 121.223 -0.243 0.000 2.083 29 L HA -0.214 4.127 4.340 0.000 0.000 0.209 29 L C 2.406 179.184 176.870 -0.153 0.000 1.083 29 L CA 1.586 56.291 54.840 -0.224 0.000 0.752 29 L CB -0.479 41.421 42.059 -0.265 0.000 0.899 29 L HN 0.144 nan 8.230 nan 0.000 0.433 30 F N -0.495 119.453 119.950 -0.004 0.000 2.259 30 F HA -0.096 4.431 4.527 0.000 0.000 0.298 30 F C 2.546 178.390 175.800 0.074 0.000 1.088 30 F CA 0.852 58.895 58.000 0.071 0.000 1.358 30 F CB -0.444 38.641 39.000 0.141 0.000 1.040 30 F HN -0.007 nan 8.300 nan 0.000 0.505 31 A N 0.094 123.040 122.820 0.210 0.000 2.019 31 A HA -0.076 4.244 4.320 0.000 0.000 0.219 31 A C 2.328 180.086 177.584 0.289 0.000 1.164 31 A CA 1.411 53.581 52.037 0.222 0.000 0.644 31 A CB -1.106 18.048 19.000 0.257 0.000 0.805 31 A HN 0.291 nan 8.150 nan 0.000 0.449 32 A N -0.320 122.673 122.820 0.288 0.000 2.125 32 A HA 0.007 4.327 4.320 0.000 0.000 0.219 32 A C 1.938 179.635 177.584 0.189 0.000 1.156 32 A CA 1.154 53.355 52.037 0.274 0.000 0.671 32 A CB -0.563 18.542 19.000 0.175 0.000 0.794 32 A HN 0.497 nan 8.150 nan 0.000 0.459 33 L N -0.788 120.553 121.223 0.196 0.000 2.353 33 L HA -0.134 4.206 4.340 0.000 0.000 0.220 33 L C 2.047 179.055 176.870 0.230 0.000 1.133 33 L CA 0.615 55.593 54.840 0.231 0.000 0.798 33 L CB -0.300 41.928 42.059 0.282 0.000 0.922 33 L HN 0.430 nan 8.230 nan 0.000 0.445 34 L N -0.635 120.681 121.223 0.155 0.000 2.341 34 L HA 0.102 4.442 4.340 0.000 0.000 0.214 34 L C 1.395 178.280 176.870 0.026 0.000 1.115 34 L CA -0.322 54.559 54.840 0.067 0.000 0.820 34 L CB -0.338 41.736 42.059 0.025 0.000 0.944 34 L HN 0.111 nan 8.230 nan 0.000 0.452 35 A N 0.486 123.339 122.820 0.055 0.000 2.454 35 A HA 0.084 4.404 4.320 0.000 0.000 0.260 35 A C 1.003 178.618 177.584 0.052 0.000 1.106 35 A CA -0.142 51.913 52.037 0.030 0.000 0.780 35 A CB 0.185 19.218 19.000 0.055 0.000 1.044 35 A HN 0.314 nan 8.150 nan 0.000 0.498 36 E N 1.439 121.652 120.200 0.022 0.000 2.400 36 E HA -0.005 4.345 4.350 0.000 0.000 0.195 36 E C -0.167 176.460 176.600 0.045 0.000 1.012 36 E CA 0.563 56.984 56.400 0.035 0.000 0.875 36 E CB 0.369 30.071 29.700 0.004 0.000 0.859 36 E HN 0.839 nan 8.360 nan 0.000 0.498 37 E N 0.947 121.170 120.200 0.039 0.000 2.227 37 E HA 0.284 4.634 4.350 0.000 0.000 0.268 37 E C -2.659 173.982 176.600 0.067 0.000 0.907 37 E CA -2.588 53.841 56.400 0.047 0.000 0.786 37 E CB 1.717 31.436 29.700 0.032 0.000 1.191 37 E HN -0.174 nan 8.360 nan 0.000 0.411 38 P HA -0.137 nan 4.420 nan 0.000 0.267 38 P C -1.013 176.362 177.300 0.124 0.000 1.175 38 P CA 0.291 63.458 63.100 0.112 0.000 0.763 38 P CB 0.315 32.086 31.700 0.117 0.000 0.795 39 V N -0.718 119.285 119.914 0.149 0.000 2.962 39 V HA 0.627 4.747 4.120 0.000 0.000 0.313 39 V C -0.748 175.414 176.094 0.113 0.000 1.099 39 V CA -0.848 61.544 62.300 0.154 0.000 0.971 39 V CB 2.438 34.388 31.823 0.211 0.000 1.028 39 V HN 0.473 nan 8.190 nan 0.000 0.430 40 E N 2.695 122.924 120.200 0.048 0.000 2.216 40 E HA 0.585 4.935 4.350 0.000 0.000 0.260 40 E C -1.574 174.916 176.600 -0.184 0.000 0.880 40 E CA -0.764 55.511 56.400 -0.210 0.000 0.765 40 E CB 1.917 31.489 29.700 -0.213 0.000 1.174 40 E HN 0.822 nan 8.360 nan 0.000 0.417 41 I N 4.566 124.959 120.570 -0.295 0.000 2.330 41 I HA 0.183 4.353 4.170 0.000 0.000 0.289 41 I C 0.232 176.176 176.117 -0.289 0.000 1.001 41 I CA -0.514 60.654 61.300 -0.222 0.000 1.193 41 I CB 1.393 39.242 38.000 -0.252 0.000 1.345 41 I HN 0.383 nan 8.210 nan 0.000 0.461 42 Q N 3.996 123.669 119.800 -0.212 0.000 2.212 42 Q HA 0.285 4.625 4.340 0.000 0.000 0.238 42 Q C 0.379 176.287 176.000 -0.153 0.000 0.955 42 Q CA -0.708 54.970 55.803 -0.209 0.000 0.906 42 Q CB 0.735 29.374 28.738 -0.165 0.000 1.215 42 Q HN 0.584 nan 8.270 nan 0.000 0.478 43 N N -0.661 117.963 118.700 -0.127 0.000 2.754 43 N HA -0.167 4.573 4.740 0.000 0.000 0.248 43 N C -1.616 173.846 175.510 -0.080 0.000 1.093 43 N CA 0.263 53.261 53.050 -0.087 0.000 0.699 43 N CB -0.931 37.508 38.487 -0.079 0.000 1.016 43 N HN 0.333 nan 8.380 nan 0.000 0.552 44 V N 1.770 121.625 119.914 -0.098 0.000 2.455 44 V HA 0.338 4.458 4.120 0.000 0.000 0.273 44 V C -1.382 174.683 176.094 -0.048 0.000 1.045 44 V CA -1.018 61.232 62.300 -0.084 0.000 0.976 44 V CB 0.991 32.746 31.823 -0.113 0.000 0.993 44 V HN 0.211 nan 8.190 nan 0.000 0.475 45 P HA 0.140 nan 4.420 nan 0.000 0.269 45 P C -0.720 176.581 177.300 0.003 0.000 1.215 45 P CA -0.418 62.678 63.100 -0.006 0.000 0.780 45 P CB 0.851 32.549 31.700 -0.004 0.000 0.898 46 K N 2.753 123.166 120.400 0.022 0.000 2.206 46 K HA 0.377 4.697 4.320 0.000 0.000 0.268 46 K C -0.164 176.460 176.600 0.041 0.000 1.111 46 K CA -0.188 56.117 56.287 0.029 0.000 0.955 46 K CB -0.120 32.403 32.500 0.038 0.000 1.406 46 K HN 0.426 nan 8.250 nan 0.000 0.427 47 L N 1.195 122.438 121.223 0.032 0.000 2.323 47 L HA 0.355 4.695 4.340 0.000 0.000 0.265 47 L C 1.401 178.294 176.870 0.038 0.000 1.012 47 L CA -1.064 53.801 54.840 0.042 0.000 0.820 47 L CB 1.330 43.408 42.059 0.032 0.000 1.334 47 L HN 0.287 nan 8.230 nan 0.000 0.427 48 K N 0.705 121.133 120.400 0.046 0.000 2.103 48 K HA -0.169 4.151 4.320 0.000 0.000 0.207 48 K C 1.049 177.669 176.600 0.033 0.000 1.048 48 K CA 1.696 58.005 56.287 0.037 0.000 0.930 48 K CB 0.097 32.624 32.500 0.044 0.000 0.716 48 K HN 0.614 nan 8.250 nan 0.000 0.444 49 D N 0.578 121.004 120.400 0.043 0.000 2.178 49 D HA -0.118 4.523 4.640 0.000 0.000 0.202 49 D C 1.853 178.181 176.300 0.047 0.000 0.974 49 D CA 0.547 54.580 54.000 0.054 0.000 0.841 49 D CB 0.050 40.893 40.800 0.071 0.000 0.953 49 D HN 0.158 nan 8.370 nan 0.000 0.478 50 I N 1.380 121.967 120.570 0.028 0.000 2.315 50 I HA -0.169 4.001 4.170 0.000 0.000 0.248 50 I C 1.670 177.780 176.117 -0.010 0.000 1.117 50 I CA 1.043 62.343 61.300 0.001 0.000 1.404 50 I CB -0.733 37.263 38.000 -0.007 0.000 1.071 50 I HN -0.050 nan 8.210 nan 0.000 0.419 51 D N 0.692 121.094 120.400 0.003 0.000 2.097 51 D HA -0.131 4.509 4.640 0.000 0.000 0.195 51 D C 2.137 178.434 176.300 -0.005 0.000 0.989 51 D CA 1.614 55.614 54.000 -0.000 0.000 0.827 51 D CB -0.289 40.514 40.800 0.006 0.000 0.966 51 D HN 0.242 nan 8.370 nan 0.000 0.456 52 T N 0.542 115.099 114.554 0.006 0.000 2.720 52 T HA -0.115 4.235 4.350 0.000 0.000 0.268 52 T C 2.028 176.736 174.700 0.012 0.000 1.037 52 T CA 1.662 63.770 62.100 0.013 0.000 1.144 52 T CB -0.460 68.425 68.868 0.027 0.000 0.864 52 T HN 0.150 nan 8.240 nan 0.000 0.444 53 T N 2.132 116.683 114.554 -0.004 0.000 2.708 53 T HA -0.005 4.345 4.350 0.000 0.000 0.266 53 T C 2.058 176.666 174.700 -0.153 0.000 1.037 53 T CA 1.142 63.176 62.100 -0.109 0.000 1.146 53 T CB -0.355 68.393 68.868 -0.201 0.000 0.865 53 T HN 0.321 nan 8.240 nan 0.000 0.435 54 M N 0.527 120.068 119.600 -0.098 0.000 2.159 54 M HA -0.097 4.383 4.480 0.000 0.000 0.263 54 M C 2.399 178.671 176.300 -0.047 0.000 1.063 54 M CA 1.504 56.759 55.300 -0.074 0.000 1.110 54 M CB -0.291 32.286 32.600 -0.038 0.000 1.374 54 M HN 0.102 nan 8.290 nan 0.000 0.411 55 K N 0.876 121.258 120.400 -0.029 0.000 2.026 55 K HA -0.157 4.163 4.320 0.000 0.000 0.208 55 K C 1.876 178.470 176.600 -0.011 0.000 1.048 55 K CA 1.234 57.512 56.287 -0.015 0.000 0.929 55 K CB -0.199 32.297 32.500 -0.007 0.000 0.713 55 K HN 0.281 nan 8.250 nan 0.000 0.439 56 L N 0.912 122.134 121.223 -0.001 0.000 2.017 56 L HA -0.194 4.146 4.340 0.000 0.000 0.208 56 L C 2.125 178.998 176.870 0.005 0.000 1.073 56 L CA 1.252 56.110 54.840 0.030 0.000 0.745 56 L CB -0.216 41.904 42.059 0.101 0.000 0.894 56 L HN 0.284 nan 8.230 nan 0.000 0.432 57 L N -0.704 120.491 121.223 -0.048 0.000 2.012 57 L HA -0.264 4.076 4.340 0.000 0.000 0.210 57 L C 2.529 179.378 176.870 -0.035 0.000 1.073 57 L CA 2.013 56.822 54.840 -0.053 0.000 0.748 57 L CB -0.981 41.016 42.059 -0.103 0.000 0.891 57 L HN 0.311 nan 8.230 nan 0.000 0.431 58 T N -1.228 113.306 114.554 -0.032 0.000 2.720 58 T HA -0.207 4.143 4.350 0.000 0.000 0.268 58 T C 1.900 176.579 174.700 -0.035 0.000 1.037 58 T CA 1.044 63.128 62.100 -0.026 0.000 1.144 58 T CB -0.140 68.717 68.868 -0.018 0.000 0.864 58 T HN 0.307 nan 8.240 nan 0.000 0.444 59 Q N 0.453 120.235 119.800 -0.030 0.000 2.226 59 Q HA 0.043 4.383 4.340 0.000 0.000 0.204 59 Q C 2.135 178.092 176.000 -0.071 0.000 0.975 59 Q CA 0.884 56.666 55.803 -0.035 0.000 0.866 59 Q CB -0.324 28.408 28.738 -0.011 0.000 0.915 59 Q HN 0.523 nan 8.270 nan 0.000 0.440 60 L N -1.031 120.144 121.223 -0.080 0.000 2.599 60 L HA 0.090 4.430 4.340 0.000 0.000 0.230 60 L C 1.015 177.763 176.870 -0.204 0.000 1.141 60 L CA 0.537 55.284 54.840 -0.156 0.000 0.877 60 L CB -0.007 41.989 42.059 -0.105 0.000 1.009 60 L HN 0.309 nan 8.230 nan 0.000 0.447 61 G N 0.145 108.869 108.800 -0.127 0.000 2.141 61 G HA2 -0.205 3.755 3.960 0.000 0.000 0.195 61 G HA3 -0.205 3.755 3.960 0.000 0.000 0.195 61 G C 0.127 174.991 174.900 -0.060 0.000 1.012 61 G CA -0.055 44.980 45.100 -0.109 0.000 0.696 61 G HN 0.217 nan 8.290 nan 0.000 0.508 62 T N 0.610 115.141 114.554 -0.038 0.000 2.907 62 T HA 0.544 4.895 4.350 0.000 0.000 0.284 62 T C 0.308 175.011 174.700 0.005 0.000 1.004 62 T CA -0.229 61.870 62.100 -0.002 0.000 1.063 62 T CB 1.490 70.361 68.868 0.005 0.000 0.992 62 T HN 0.271 nan 8.240 nan 0.000 0.483 63 K N 2.181 122.597 120.400 0.026 0.000 2.264 63 K HA 0.576 4.896 4.320 0.000 0.000 0.277 63 K C -1.047 175.584 176.600 0.050 0.000 1.067 63 K CA -0.499 55.807 56.287 0.031 0.000 0.900 63 K CB 0.982 33.504 32.500 0.036 0.000 1.124 63 K HN 0.258 nan 8.250 nan 0.000 0.469 64 V N 2.976 122.916 119.914 0.043 0.000 2.735 64 V HA 0.450 4.570 4.120 0.000 0.000 0.310 64 V C -0.612 175.529 176.094 0.079 0.000 1.061 64 V CA -0.864 61.473 62.300 0.062 0.000 0.913 64 V CB 1.819 33.656 31.823 0.023 0.000 1.005 64 V HN 0.898 nan 8.190 nan 0.000 0.428 65 E N 3.791 124.076 120.200 0.142 0.000 2.378 65 E HA 0.733 5.084 4.350 0.000 0.000 0.283 65 E C -1.198 175.583 176.600 0.301 0.000 0.979 65 E CA -1.221 55.275 56.400 0.159 0.000 0.795 65 E CB 2.569 32.331 29.700 0.104 0.000 1.221 65 E HN 0.762 nan 8.360 nan 0.000 0.428 66 R N 0.659 121.310 120.500 0.251 0.000 2.947 66 R HA 0.487 4.828 4.340 0.000 0.000 0.253 66 R C -0.540 175.934 176.300 0.291 0.000 1.208 66 R CA -0.391 55.892 56.100 0.303 0.000 1.012 66 R CB 0.529 30.899 30.300 0.117 0.000 1.267 66 R HN 0.540 nan 8.270 nan 0.000 0.473 67 D N 0.071 120.633 120.400 0.270 0.000 2.256 67 D HA 0.078 4.718 4.640 0.000 0.000 0.279 67 D C 1.406 177.771 176.300 0.108 0.000 1.209 67 D CA 0.834 54.956 54.000 0.203 0.000 0.946 67 D CB -1.025 39.907 40.800 0.220 0.000 0.914 67 D HN 0.611 nan 8.370 nan 0.000 0.278 68 G N -1.059 107.783 108.800 0.070 0.000 2.744 68 G HA2 0.180 4.140 3.960 0.000 0.000 0.211 68 G HA3 0.180 4.140 3.960 0.000 0.000 0.211 68 G C 0.457 175.287 174.900 -0.116 0.000 1.146 68 G CA 0.182 45.275 45.100 -0.012 0.000 0.787 68 G HN 0.357 nan 8.290 nan 0.000 0.534 69 S N -1.116 114.436 115.700 -0.247 0.000 2.718 69 S HA 0.659 5.129 4.470 0.000 0.000 0.300 69 S C -0.835 173.410 174.600 -0.592 0.000 1.117 69 S CA -0.489 57.364 58.200 -0.579 0.000 1.002 69 S CB 2.441 64.986 63.200 -1.092 0.000 1.092 69 S HN -0.050 nan 8.310 nan 0.000 0.542 70 V N 1.897 121.469 119.914 -0.570 0.000 2.444 70 V HA 0.356 4.476 4.120 0.000 0.000 0.294 70 V C -1.039 174.854 176.094 -0.334 0.000 1.022 70 V CA -0.625 61.511 62.300 -0.274 0.000 0.850 70 V CB 1.122 32.850 31.823 -0.159 0.000 0.992 70 V HN 0.782 nan 8.190 nan 0.000 0.426 71 W N 5.502 126.802 121.300 -0.001 0.000 2.361 71 W HA 0.576 5.237 4.660 0.000 0.000 0.309 71 W C -0.737 175.788 176.519 0.010 0.000 1.122 71 W CA -0.576 56.776 57.345 0.012 0.000 1.208 71 W CB 1.628 31.096 29.460 0.013 0.000 1.246 71 W HN 0.300 nan 8.180 nan 0.000 0.490 72 I N 3.168 123.844 120.570 0.177 0.000 2.509 72 I HA 0.170 4.340 4.170 0.000 0.000 0.293 72 I C -0.584 175.611 176.117 0.130 0.000 1.020 72 I CA -0.586 60.787 61.300 0.121 0.000 1.088 72 I CB 1.918 39.961 38.000 0.072 0.000 1.267 72 I HN 0.279 nan 8.210 nan 0.000 0.430 73 D N 5.060 125.523 120.400 0.105 0.000 2.402 73 D HA 0.532 5.173 4.640 0.000 0.000 0.252 73 D C -0.234 176.117 176.300 0.084 0.000 1.294 73 D CA -0.269 53.788 54.000 0.095 0.000 0.948 73 D CB 1.620 42.470 40.800 0.083 0.000 1.202 73 D HN 0.599 nan 8.370 nan 0.000 0.561 74 A N 2.807 125.688 122.820 0.101 0.000 2.708 74 A HA 0.223 4.543 4.320 0.000 0.000 0.293 74 A C 1.734 179.407 177.584 0.148 0.000 1.303 74 A CA 0.340 52.450 52.037 0.121 0.000 0.949 74 A CB -0.283 18.810 19.000 0.154 0.000 1.121 74 A HN 0.466 nan 8.150 nan 0.000 0.542 75 S N 0.274 116.042 115.700 0.112 0.000 2.370 75 S HA -0.128 4.342 4.470 0.000 0.000 0.226 75 S C 0.812 175.499 174.600 0.145 0.000 1.033 75 S CA 1.242 59.510 58.200 0.112 0.000 1.011 75 S CB -0.277 62.970 63.200 0.078 0.000 0.852 75 S HN 0.579 nan 8.310 nan 0.000 0.457 76 N N 0.111 118.881 118.700 0.116 0.000 2.284 76 N HA 0.440 5.180 4.740 0.000 0.000 0.300 76 N C -2.060 173.476 175.510 0.044 0.000 1.047 76 N CA -0.447 52.667 53.050 0.107 0.000 0.821 76 N CB 2.360 40.883 38.487 0.060 0.000 1.337 76 N HN 0.111 nan 8.380 nan 0.000 0.482 77 V N 3.869 123.769 119.914 -0.023 0.000 2.376 77 V HA 0.176 4.296 4.120 0.000 0.000 0.287 77 V C 1.024 176.865 176.094 -0.423 0.000 1.015 77 V CA -0.724 61.406 62.300 -0.284 0.000 0.834 77 V CB 1.201 32.661 31.823 -0.604 0.000 1.001 77 V HN 0.748 nan 8.190 nan 0.000 0.428 78 N N 4.462 122.937 118.700 -0.374 0.000 2.416 78 N HA 0.013 4.753 4.740 0.000 0.000 0.177 78 N C 0.392 175.573 175.510 -0.547 0.000 1.036 78 N CA 0.861 53.703 53.050 -0.347 0.000 0.901 78 N CB 0.244 38.615 38.487 -0.194 0.000 0.976 78 N HN 0.704 nan 8.380 nan 0.000 0.444 79 N N -1.553 116.667 118.700 -0.799 0.000 2.494 79 N HA 0.289 5.030 4.740 0.000 0.000 0.270 79 N C -1.697 173.162 175.510 -1.084 0.000 1.285 79 N CA -0.572 51.992 53.050 -0.809 0.000 0.812 79 N CB 0.710 38.996 38.487 -0.334 0.000 1.557 79 N HN -0.051 nan 8.380 nan 0.000 0.487 80 F N -0.636 119.246 119.950 -0.113 0.000 2.814 80 F HA 0.463 4.990 4.527 0.000 0.000 0.326 80 F C 0.122 175.889 175.800 -0.056 0.000 1.159 80 F CA -0.313 57.629 58.000 -0.097 0.000 1.234 80 F CB 0.513 39.451 39.000 -0.104 0.000 1.016 80 F HN 0.066 nan 8.300 nan 0.000 0.510 81 S N 0.929 116.647 115.700 0.030 0.000 2.513 81 S HA 0.829 5.299 4.470 0.000 0.000 0.299 81 S C -0.288 174.380 174.600 0.113 0.000 1.087 81 S CA -0.694 57.528 58.200 0.037 0.000 1.012 81 S CB 1.959 65.134 63.200 -0.042 0.000 1.044 81 S HN 0.144 nan 8.310 nan 0.000 0.485 82 A N 4.049 126.997 122.820 0.214 0.000 2.763 82 A HA 0.611 4.931 4.320 0.000 0.000 0.325 82 A C -2.711 175.034 177.584 0.269 0.000 1.209 82 A CA -1.620 50.537 52.037 0.200 0.000 0.764 82 A CB 0.117 19.219 19.000 0.170 0.000 1.120 82 A HN 0.503 nan 8.150 nan 0.000 0.463 83 P HA -0.093 nan 4.420 nan 0.000 0.270 83 P C 0.634 177.966 177.300 0.053 0.000 1.227 83 P CA 0.046 63.230 63.100 0.139 0.000 0.788 83 P CB 0.631 32.420 31.700 0.148 0.000 0.926 84 Y N 2.307 122.511 120.300 -0.159 0.000 2.062 84 Y HA -0.317 4.233 4.550 0.000 0.000 0.276 84 Y C 1.888 177.749 175.900 -0.065 0.000 1.189 84 Y CA 2.767 60.792 58.100 -0.125 0.000 1.130 84 Y CB -1.080 37.288 38.460 -0.153 0.000 0.959 84 Y HN 0.387 nan 8.280 nan 0.000 0.499 85 D N -0.334 120.054 120.400 -0.020 0.000 2.429 85 D HA -0.206 4.434 4.640 0.000 0.000 0.230 85 D C 1.741 177.965 176.300 -0.127 0.000 1.005 85 D CA 1.169 55.108 54.000 -0.101 0.000 0.963 85 D CB -0.335 40.471 40.800 0.010 0.000 0.872 85 D HN 0.530 nan 8.370 nan 0.000 0.524 86 L N -0.058 121.091 121.223 -0.123 0.000 2.678 86 L HA -0.008 4.332 4.340 0.000 0.000 0.211 86 L C 2.132 178.945 176.870 -0.095 0.000 1.043 86 L CA 0.110 54.905 54.840 -0.076 0.000 0.881 86 L CB 0.245 42.301 42.059 -0.005 0.000 1.361 86 L HN -0.050 nan 8.230 nan 0.000 0.484 87 V N -0.386 119.467 119.914 -0.102 0.000 2.970 87 V HA -0.184 3.936 4.120 0.000 0.000 0.260 87 V C 2.129 178.114 176.094 -0.182 0.000 1.100 87 V CA 1.811 64.051 62.300 -0.100 0.000 1.122 87 V CB -0.844 30.943 31.823 -0.061 0.000 0.721 87 V HN 0.608 nan 8.190 nan 0.000 0.483 88 K N 1.621 121.816 120.400 -0.343 0.000 2.442 88 K HA -0.078 4.242 4.320 0.000 0.000 0.198 88 K C 1.708 178.166 176.600 -0.237 0.000 1.042 88 K CA 1.624 57.664 56.287 -0.412 0.000 0.958 88 K CB -0.631 31.347 32.500 -0.870 0.000 0.766 88 K HN 0.658 nan 8.250 nan 0.000 0.474 89 T N -2.234 112.213 114.554 -0.179 0.000 3.022 89 T HA 0.206 4.556 4.350 0.000 0.000 0.250 89 T C 0.537 175.199 174.700 -0.063 0.000 1.060 89 T CA -0.433 61.600 62.100 -0.112 0.000 1.013 89 T CB 0.061 68.868 68.868 -0.101 0.000 0.982 89 T HN 0.257 nan 8.240 nan 0.000 0.508 90 M N 2.240 121.801 119.600 -0.065 0.000 2.356 90 M HA 0.325 4.805 4.480 0.000 0.000 0.215 90 M C 0.445 176.701 176.300 -0.073 0.000 0.978 90 M CA -0.604 54.674 55.300 -0.037 0.000 0.972 90 M CB 1.360 33.973 32.600 0.022 0.000 2.529 90 M HN 0.137 nan 8.290 nan 0.000 0.447 91 R N 2.080 122.509 120.500 -0.118 0.000 2.285 91 R HA 0.088 4.429 4.340 0.000 0.000 0.213 91 R C 0.977 177.098 176.300 -0.299 0.000 1.068 91 R CA 1.350 57.341 56.100 -0.181 0.000 1.004 91 R CB -0.315 29.880 30.300 -0.175 0.000 0.873 91 R HN 0.649 nan 8.270 nan 0.000 0.467 92 A N 1.733 124.384 122.820 -0.282 0.000 2.216 92 A HA -0.079 4.241 4.320 0.000 0.000 0.214 92 A C 2.025 179.324 177.584 -0.475 0.000 1.160 92 A CA 1.077 52.824 52.037 -0.483 0.000 0.725 92 A CB -0.355 18.526 19.000 -0.198 0.000 0.784 92 A HN 0.583 nan 8.150 nan 0.000 0.472 93 S N -0.457 115.093 115.700 -0.250 0.000 2.603 93 S HA -0.054 4.416 4.470 0.000 0.000 0.229 93 S C 1.482 175.871 174.600 -0.351 0.000 0.972 93 S CA 0.797 58.857 58.200 -0.232 0.000 0.935 93 S CB -0.525 62.732 63.200 0.095 0.000 0.769 93 S HN 0.434 nan 8.310 nan 0.000 0.536 94 I N 0.904 121.230 120.570 -0.406 0.000 2.614 94 I HA 0.033 4.203 4.170 0.000 0.000 0.258 94 I C 1.420 177.387 176.117 -0.250 0.000 1.189 94 I CA 0.526 61.625 61.300 -0.334 0.000 1.462 94 I CB -0.619 37.087 38.000 -0.491 0.000 1.092 94 I HN 0.350 nan 8.210 nan 0.000 0.442 95 W N 0.631 121.625 121.300 -0.509 0.000 2.848 95 W HA 0.080 4.740 4.660 0.000 0.000 0.241 95 W C 2.275 178.592 176.519 -0.337 0.000 1.289 95 W CA 0.718 57.798 57.345 -0.441 0.000 1.396 95 W CB -1.146 27.973 29.460 -0.569 0.000 1.138 95 W HN 0.317 nan 8.180 nan 0.000 0.677 96 A N -0.447 122.307 122.820 -0.110 0.000 1.975 96 A HA -0.056 4.264 4.320 0.000 0.000 0.215 96 A C 1.947 179.649 177.584 0.196 0.000 1.170 96 A CA 0.679 52.844 52.037 0.214 0.000 0.656 96 A CB -0.602 18.586 19.000 0.313 0.000 0.821 96 A HN 0.118 nan 8.150 nan 0.000 0.449 97 L N 0.438 121.740 121.223 0.130 0.000 1.990 97 L HA -0.125 4.215 4.340 0.000 0.000 0.213 97 L C 2.448 179.406 176.870 0.147 0.000 1.072 97 L CA 2.452 57.370 54.840 0.130 0.000 0.755 97 L CB -1.121 40.995 42.059 0.096 0.000 0.889 97 L HN 0.332 nan 8.230 nan 0.000 0.432 98 G N -0.770 108.127 108.800 0.160 0.000 2.545 98 G HA2 -0.256 3.705 3.960 0.000 0.000 0.217 98 G HA3 -0.256 3.705 3.960 0.000 0.000 0.217 98 G C -0.616 174.366 174.900 0.137 0.000 1.218 98 G CA 1.084 46.270 45.100 0.143 0.000 0.787 98 G HN 0.390 nan 8.290 nan 0.000 0.571 99 P HA -0.031 nan 4.420 nan 0.000 0.215 99 P C 2.146 179.584 177.300 0.231 0.000 1.153 99 P CA 0.710 63.918 63.100 0.179 0.000 0.853 99 P CB -0.129 31.705 31.700 0.223 0.000 0.788 100 L N -1.036 120.359 121.223 0.286 0.000 2.012 100 L HA -0.155 4.185 4.340 0.000 0.000 0.210 100 L C 2.470 179.501 176.870 0.268 0.000 1.073 100 L CA 1.451 56.521 54.840 0.382 0.000 0.748 100 L CB -1.193 41.059 42.059 0.321 0.000 0.891 100 L HN -0.082 nan 8.230 nan 0.000 0.431 101 V N -0.259 119.742 119.914 0.145 0.000 2.548 101 V HA -0.157 3.963 4.120 0.000 0.000 0.249 101 V C 2.533 178.647 176.094 0.033 0.000 1.055 101 V CA 1.614 63.952 62.300 0.065 0.000 1.065 101 V CB 0.086 31.934 31.823 0.042 0.000 0.681 101 V HN 0.416 nan 8.190 nan 0.000 0.462 102 A N -0.098 122.747 122.820 0.042 0.000 1.969 102 A HA -0.161 4.159 4.320 0.000 0.000 0.218 102 A C 2.405 179.951 177.584 -0.065 0.000 1.169 102 A CA 1.850 53.883 52.037 -0.006 0.000 0.635 102 A CB -0.443 18.561 19.000 0.006 0.000 0.810 102 A HN 0.576 nan 8.150 nan 0.000 0.445 103 R N -2.366 118.079 120.500 -0.092 0.000 2.146 103 R HA 0.168 4.509 4.340 0.000 0.000 0.206 103 R C 0.556 176.528 176.300 -0.547 0.000 1.049 103 R CA 0.684 56.575 56.100 -0.347 0.000 1.029 103 R CB 0.053 30.060 30.300 -0.489 0.000 0.949 103 R HN 0.442 nan 8.270 nan 0.000 0.471 104 F N -0.520 119.394 119.950 -0.061 0.000 2.682 104 F HA 0.405 4.932 4.527 0.000 0.000 0.308 104 F C 1.287 176.936 175.800 -0.251 0.000 1.093 104 F CA 0.342 58.235 58.000 -0.178 0.000 1.244 104 F CB 1.390 40.193 39.000 -0.328 0.000 1.052 104 F HN 0.260 nan 8.300 nan 0.000 0.573 105 G N 1.095 109.869 108.800 -0.043 0.000 2.189 105 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 105 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 105 G C 0.095 174.942 174.900 -0.089 0.000 0.975 105 G CA 0.632 45.692 45.100 -0.066 0.000 0.644 105 G HN 0.534 nan 8.290 nan 0.000 0.537 106 Q N -1.824 117.900 119.800 -0.126 0.000 2.575 106 Q HA 0.663 5.003 4.340 0.000 0.000 0.290 106 Q C -0.487 175.469 176.000 -0.073 0.000 0.963 106 Q CA -0.556 55.166 55.803 -0.134 0.000 0.783 106 Q CB 1.735 30.338 28.738 -0.223 0.000 1.467 106 Q HN 1.651 nan 8.270 nan 0.000 0.402 107 G N 0.957 109.755 108.800 -0.002 0.000 2.473 107 G HA2 0.426 4.387 3.960 0.000 0.000 0.298 107 G HA3 0.426 4.387 3.960 0.000 0.000 0.298 107 G C -2.030 172.895 174.900 0.041 0.000 1.575 107 G CA -0.627 44.522 45.100 0.082 0.000 0.846 107 G HN 0.462 nan 8.290 nan 0.000 0.585 108 Q N 0.151 119.973 119.800 0.037 0.000 2.285 108 Q HA 0.620 4.960 4.340 0.000 0.000 0.269 108 Q C -1.191 174.868 176.000 0.097 0.000 1.030 108 Q CA -0.901 54.881 55.803 -0.035 0.000 0.788 108 Q CB 3.326 31.869 28.738 -0.325 0.000 1.266 108 Q HN 0.435 nan 8.270 nan 0.000 0.438 109 V N 1.066 121.099 119.914 0.198 0.000 2.709 109 V HA 0.339 4.459 4.120 0.000 0.000 0.308 109 V C -0.109 176.165 176.094 0.301 0.000 1.062 109 V CA -0.786 61.657 62.300 0.238 0.000 0.901 109 V CB 2.063 33.949 31.823 0.105 0.000 1.003 109 V HN 0.801 nan 8.190 nan 0.000 0.425 110 S N 4.194 120.032 115.700 0.230 0.000 2.525 110 S HA 0.217 4.688 4.470 0.000 0.000 0.285 110 S C -0.056 174.577 174.600 0.055 0.000 1.283 110 S CA -0.372 57.867 58.200 0.065 0.000 1.072 110 S CB 0.010 63.206 63.200 -0.006 0.000 0.867 110 S HN 0.653 nan 8.310 nan 0.000 0.492 111 L N 8.044 129.295 121.223 0.046 0.000 2.562 111 L HA 0.228 4.568 4.340 0.000 0.000 0.271 111 L C -1.665 175.215 176.870 0.016 0.000 1.167 111 L CA -1.451 53.402 54.840 0.022 0.000 0.917 111 L CB 0.479 42.551 42.059 0.023 0.000 1.187 111 L HN 0.597 nan 8.230 nan 0.000 0.482 112 P HA 0.097 nan 4.420 nan 0.000 0.268 112 P C -0.030 177.268 177.300 -0.002 0.000 1.205 112 P CA -0.239 62.845 63.100 -0.026 0.000 0.771 112 P CB 0.978 32.626 31.700 -0.087 0.000 0.858 113 G N 1.708 110.522 108.800 0.024 0.000 2.531 113 G HA2 0.476 4.436 3.960 0.000 0.000 0.253 113 G HA3 0.476 4.436 3.960 0.000 0.000 0.253 113 G C 0.226 175.130 174.900 0.006 0.000 1.439 113 G CA -0.435 44.683 45.100 0.030 0.000 1.056 113 G HN 0.620 nan 8.290 nan 0.000 0.555 114 G N -2.104 106.703 108.800 0.012 0.000 2.569 114 G HA2 0.401 4.361 3.960 0.000 0.000 0.249 114 G HA3 0.401 4.361 3.960 0.000 0.000 0.249 114 G C -0.307 174.590 174.900 -0.006 0.000 1.216 114 G CA 0.134 45.236 45.100 0.004 0.000 0.845 114 G HN 0.711 nan 8.290 nan 0.000 0.568 115 C N 0.175 119.466 119.300 -0.016 0.000 2.630 115 C HA 0.721 5.181 4.460 0.000 0.000 0.346 115 C C 1.981 176.951 174.990 -0.035 0.000 1.245 115 C CA 0.266 59.262 59.018 -0.036 0.000 1.804 115 C CB 1.217 28.913 27.740 -0.074 0.000 2.279 115 C HN 1.023 nan 8.230 nan 0.000 0.498 116 A N 1.444 124.237 122.820 -0.045 0.000 1.877 116 A HA -0.067 4.253 4.320 0.000 0.000 0.216 116 A C 1.716 179.261 177.584 -0.064 0.000 1.186 116 A CA 2.088 54.098 52.037 -0.044 0.000 0.620 116 A CB -0.734 18.234 19.000 -0.052 0.000 0.822 116 A HN 1.080 nan 8.150 nan 0.000 0.443 117 I N -4.066 116.430 120.570 -0.124 0.000 3.564 117 I HA 0.455 4.625 4.170 0.000 0.000 0.294 117 I C 0.729 176.818 176.117 -0.047 0.000 1.289 117 I CA 0.465 61.682 61.300 -0.137 0.000 1.325 117 I CB -0.386 37.426 38.000 -0.313 0.000 1.039 117 I HN 0.297 nan 8.210 nan 0.000 0.474 118 G N -0.147 108.646 108.800 -0.012 0.000 2.340 118 G HA2 0.407 4.367 3.960 0.000 0.000 0.298 118 G HA3 0.407 4.367 3.960 0.000 0.000 0.298 118 G C 0.055 174.989 174.900 0.056 0.000 1.498 118 G CA -0.288 44.860 45.100 0.080 0.000 0.847 118 G HN 0.040 nan 8.290 nan 0.000 0.594 119 A N 0.082 122.936 122.820 0.057 0.000 1.972 119 A HA 0.221 4.541 4.320 0.000 0.000 0.219 119 A C 1.578 179.187 177.584 0.042 0.000 1.169 119 A CA 1.796 53.854 52.037 0.036 0.000 0.635 119 A CB -0.545 18.471 19.000 0.027 0.000 0.810 119 A HN 1.476 nan 8.150 nan 0.000 0.446 120 R N -1.158 119.393 120.500 0.086 0.000 3.127 120 R HA -0.121 4.219 4.340 0.000 0.000 0.247 120 R C -2.314 174.008 176.300 0.037 0.000 0.896 120 R CA 0.409 56.567 56.100 0.098 0.000 0.624 120 R CB -2.053 28.304 30.300 0.094 0.000 1.154 120 R HN 0.551 nan 8.270 nan 0.000 0.474 121 P HA 0.007 nan 4.420 nan 0.000 0.271 121 P C 0.214 177.529 177.300 0.025 0.000 1.244 121 P CA -0.198 62.912 63.100 0.018 0.000 0.793 121 P CB 0.948 32.660 31.700 0.021 0.000 0.984 122 V N 0.762 120.685 119.914 0.015 0.000 3.070 122 V HA -0.011 4.110 4.120 0.000 0.000 0.345 122 V C 1.648 177.825 176.094 0.138 0.000 1.403 122 V CA 0.168 62.485 62.300 0.028 0.000 1.155 122 V CB -0.558 31.152 31.823 -0.188 0.000 1.140 122 V HN 0.613 nan 8.190 nan 0.000 0.505 123 D N 0.433 120.899 120.400 0.110 0.000 2.133 123 D HA -0.277 4.363 4.640 0.000 0.000 0.195 123 D C 1.795 178.201 176.300 0.176 0.000 0.997 123 D CA 1.591 55.661 54.000 0.116 0.000 0.840 123 D CB -0.139 40.697 40.800 0.059 0.000 0.947 123 D HN 0.507 nan 8.370 nan 0.000 0.452 124 L N 0.004 121.324 121.223 0.162 0.000 2.131 124 L HA -0.139 4.201 4.340 0.000 0.000 0.210 124 L C 2.843 179.845 176.870 0.219 0.000 1.092 124 L CA 0.993 55.930 54.840 0.162 0.000 0.759 124 L CB -0.674 41.415 42.059 0.050 0.000 0.903 124 L HN 0.146 nan 8.230 nan 0.000 0.435 125 H N 0.067 119.212 119.070 0.125 0.000 2.293 125 H HA -0.132 4.425 4.556 0.000 0.000 0.300 125 H C 2.465 177.861 175.328 0.113 0.000 1.082 125 H CA 1.864 57.981 56.048 0.115 0.000 1.308 125 H CB 0.025 29.831 29.762 0.075 0.000 1.375 125 H HN 0.313 nan 8.280 nan 0.000 0.495 126 I N 0.412 121.135 120.570 0.254 0.000 2.163 126 I HA -0.300 3.870 4.170 0.000 0.000 0.243 126 I C 2.581 178.788 176.117 0.149 0.000 1.085 126 I CA 1.252 62.651 61.300 0.164 0.000 1.347 126 I CB -0.413 37.668 38.000 0.135 0.000 1.044 126 I HN 0.086 nan 8.210 nan 0.000 0.408 127 F N 1.928 121.911 119.950 0.055 0.000 2.120 127 F HA -0.191 4.336 4.527 0.000 0.000 0.300 127 F C 2.249 178.066 175.800 0.027 0.000 1.095 127 F CA 1.794 59.813 58.000 0.032 0.000 1.249 127 F CB -0.808 38.205 39.000 0.022 0.000 0.995 127 F HN -0.007 nan 8.300 nan 0.000 0.480 128 G N 0.887 109.699 108.800 0.020 0.000 2.433 128 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 128 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 128 G C 1.767 176.594 174.900 -0.121 0.000 1.186 128 G CA 1.054 46.099 45.100 -0.092 0.000 0.779 128 G HN 0.445 nan 8.290 nan 0.000 0.543 129 L N 0.107 121.312 121.223 -0.030 0.000 2.046 129 L HA -0.080 4.260 4.340 0.000 0.000 0.208 129 L C 2.890 179.719 176.870 -0.069 0.000 1.077 129 L CA 1.292 56.119 54.840 -0.022 0.000 0.747 129 L CB -0.460 41.619 42.059 0.032 0.000 0.896 129 L HN 0.308 nan 8.230 nan 0.000 0.432 130 E N -0.064 120.077 120.200 -0.099 0.000 2.110 130 E HA -0.202 4.148 4.350 0.000 0.000 0.193 130 E C 2.099 178.594 176.600 -0.174 0.000 0.988 130 E CA 0.845 57.176 56.400 -0.115 0.000 0.804 130 E CB 0.085 29.725 29.700 -0.101 0.000 0.745 130 E HN 0.305 nan 8.360 nan 0.000 0.458 131 K N 0.352 120.573 120.400 -0.299 0.000 2.283 131 K HA -0.060 4.260 4.320 0.000 0.000 0.202 131 K C 1.814 178.322 176.600 -0.153 0.000 1.048 131 K CA 0.621 56.735 56.287 -0.289 0.000 0.948 131 K CB 0.054 32.282 32.500 -0.454 0.000 0.742 131 K HN 0.240 nan 8.250 nan 0.000 0.458 132 L N -0.405 120.747 121.223 -0.118 0.000 2.591 132 L HA 0.074 4.414 4.340 0.000 0.000 0.228 132 L C 1.136 177.973 176.870 -0.055 0.000 1.133 132 L CA 0.422 55.220 54.840 -0.069 0.000 0.880 132 L CB 0.051 42.080 42.059 -0.050 0.000 1.033 132 L HN 0.366 nan 8.230 nan 0.000 0.450 133 G N -0.407 108.356 108.800 -0.062 0.000 2.201 133 G HA2 -0.214 3.747 3.960 0.000 0.000 0.212 133 G HA3 -0.214 3.747 3.960 0.000 0.000 0.212 133 G C 0.402 175.280 174.900 -0.037 0.000 0.994 133 G CA -0.143 44.929 45.100 -0.046 0.000 0.644 133 G HN 0.418 nan 8.290 nan 0.000 0.508 134 A N 0.191 122.990 122.820 -0.035 0.000 2.407 134 A HA 0.619 4.939 4.320 0.000 0.000 0.248 134 A C 0.332 177.905 177.584 -0.018 0.000 1.082 134 A CA 0.717 52.742 52.037 -0.021 0.000 0.785 134 A CB 0.495 19.490 19.000 -0.009 0.000 1.020 134 A HN 0.599 nan 8.150 nan 0.000 0.489 135 E N 1.643 121.837 120.200 -0.011 0.000 2.133 135 E HA 0.558 4.908 4.350 0.000 0.000 0.274 135 E C -1.258 175.344 176.600 0.004 0.000 0.930 135 E CA -0.281 56.116 56.400 -0.006 0.000 0.770 135 E CB 0.595 30.291 29.700 -0.007 0.000 1.104 135 E HN 0.576 nan 8.360 nan 0.000 0.403 136 I N 4.820 125.397 120.570 0.012 0.000 2.509 136 I HA 0.392 4.562 4.170 0.000 0.000 0.293 136 I C -0.428 175.706 176.117 0.028 0.000 1.020 136 I CA -0.872 60.443 61.300 0.024 0.000 1.088 136 I CB 1.840 39.861 38.000 0.035 0.000 1.267 136 I HN 0.481 nan 8.210 nan 0.000 0.430 137 K N 5.211 125.630 120.400 0.032 0.000 2.482 137 K HA 0.696 5.017 4.320 0.000 0.000 0.257 137 K C -1.729 174.900 176.600 0.049 0.000 0.969 137 K CA -0.967 55.341 56.287 0.035 0.000 0.842 137 K CB 2.715 35.232 32.500 0.027 0.000 1.359 137 K HN 0.403 nan 8.250 nan 0.000 0.441 138 L N 1.713 122.966 121.223 0.050 0.000 2.294 138 L HA 0.379 4.719 4.340 0.000 0.000 0.283 138 L C -1.267 175.640 176.870 0.063 0.000 1.015 138 L CA 0.257 55.134 54.840 0.063 0.000 0.831 138 L CB 0.850 42.939 42.059 0.049 0.000 1.217 138 L HN 0.825 nan 8.230 nan 0.000 0.420 139 E N 2.862 123.117 120.200 0.092 0.000 2.275 139 E HA 0.447 4.798 4.350 0.000 0.000 0.270 139 E C -0.801 175.871 176.600 0.119 0.000 0.882 139 E CA -0.740 55.711 56.400 0.084 0.000 0.758 139 E CB 1.199 30.941 29.700 0.071 0.000 1.195 139 E HN 0.594 nan 8.360 nan 0.000 0.419 140 E N 1.592 121.829 120.200 0.063 0.000 2.389 140 E HA -0.266 4.084 4.350 0.000 0.000 0.243 140 E C 0.727 177.308 176.600 -0.031 0.000 1.154 140 E CA 0.670 57.089 56.400 0.031 0.000 0.723 140 E CB -1.697 28.056 29.700 0.088 0.000 1.261 140 E HN 1.152 nan 8.360 nan 0.000 0.390 141 G N -1.159 107.625 108.800 -0.026 0.000 2.175 141 G HA2 -0.385 3.576 3.960 0.000 0.000 0.265 141 G HA3 -0.385 3.576 3.960 0.000 0.000 0.265 141 G C -0.183 174.696 174.900 -0.035 0.000 0.979 141 G CA 0.828 45.889 45.100 -0.066 0.000 0.663 141 G HN 0.354 nan 8.290 nan 0.000 0.533 142 Y N -0.862 119.448 120.300 0.017 0.000 2.361 142 Y HA 0.531 5.081 4.550 0.000 0.000 0.332 142 Y C 0.484 176.398 175.900 0.024 0.000 1.101 142 Y CA -0.911 57.205 58.100 0.028 0.000 1.137 142 Y CB 2.072 40.550 38.460 0.031 0.000 1.207 142 Y HN 0.356 nan 8.280 nan 0.000 0.463 143 V N 5.552 125.607 119.914 0.234 0.000 2.294 143 V HA 0.437 4.557 4.120 0.000 0.000 0.272 143 V C -0.906 175.247 176.094 0.099 0.000 1.027 143 V CA -0.703 61.673 62.300 0.126 0.000 0.823 143 V CB -0.061 31.812 31.823 0.084 0.000 1.030 143 V HN 0.699 nan 8.190 nan 0.000 0.457 144 K N 6.020 126.457 120.400 0.062 0.000 2.234 144 K HA 0.790 5.110 4.320 0.000 0.000 0.277 144 K C -0.226 176.382 176.600 0.014 0.000 1.038 144 K CA -0.118 56.175 56.287 0.010 0.000 0.888 144 K CB 1.930 34.418 32.500 -0.020 0.000 1.091 144 K HN 0.836 nan 8.250 nan 0.000 0.467 145 A N 1.908 124.735 122.820 0.011 0.000 2.365 145 A HA 0.726 5.047 4.320 0.000 0.000 0.318 145 A C -0.645 176.935 177.584 -0.007 0.000 1.091 145 A CA -0.619 51.425 52.037 0.011 0.000 0.763 145 A CB 1.271 20.289 19.000 0.029 0.000 1.248 145 A HN 0.714 nan 8.150 nan 0.000 0.442 146 S N -0.205 115.487 115.700 -0.012 0.000 2.596 146 S HA 0.804 5.274 4.470 0.000 0.000 0.270 146 S C -1.313 173.273 174.600 -0.024 0.000 1.155 146 S CA -0.438 57.746 58.200 -0.027 0.000 0.827 146 S CB 1.352 64.533 63.200 -0.032 0.000 1.130 146 S HN 2.177 nan 8.310 nan 0.000 0.467 147 V N 0.950 120.845 119.914 -0.032 0.000 2.924 147 V HA 0.516 4.636 4.120 0.000 0.000 0.300 147 V C -1.982 174.091 176.094 -0.034 0.000 1.227 147 V CA -0.741 61.542 62.300 -0.029 0.000 0.954 147 V CB 2.028 33.834 31.823 -0.028 0.000 1.055 147 V HN 1.066 nan 8.190 nan 0.000 0.429 148 N N 4.994 123.677 118.700 -0.029 0.000 2.406 148 N HA 0.663 5.403 4.740 0.000 0.000 0.251 148 N C 0.352 175.844 175.510 -0.030 0.000 1.069 148 N CA 0.632 53.665 53.050 -0.029 0.000 0.947 148 N CB 1.391 39.864 38.487 -0.023 0.000 1.111 148 N HN 1.400 nan 8.380 nan 0.000 0.497 149 G N 1.676 110.455 108.800 -0.034 0.000 2.584 149 G HA2 -0.271 3.689 3.960 0.000 0.000 0.229 149 G HA3 -0.271 3.689 3.960 0.000 0.000 0.229 149 G C -0.519 174.355 174.900 -0.042 0.000 1.320 149 G CA -0.754 44.324 45.100 -0.036 0.000 0.891 149 G HN 0.544 nan 8.290 nan 0.000 0.573 150 R N -0.660 119.815 120.500 -0.042 0.000 2.577 150 R HA 0.596 4.936 4.340 0.000 0.000 0.269 150 R C 0.629 176.906 176.300 -0.038 0.000 1.084 150 R CA -0.587 55.486 56.100 -0.045 0.000 1.163 150 R CB 0.360 30.632 30.300 -0.045 0.000 1.100 150 R HN 0.454 nan 8.270 nan 0.000 0.547 151 L N 1.285 122.486 121.223 -0.038 0.000 2.439 151 L HA 0.246 4.586 4.340 0.000 0.000 0.261 151 L C 0.029 176.880 176.870 -0.033 0.000 1.153 151 L CA -0.324 54.496 54.840 -0.033 0.000 0.808 151 L CB 0.451 42.492 42.059 -0.030 0.000 1.126 151 L HN 0.299 nan 8.230 nan 0.000 0.460 152 K N 0.569 120.949 120.400 -0.033 0.000 2.274 152 K HA 0.399 4.719 4.320 0.000 0.000 0.262 152 K C -0.018 176.565 176.600 -0.029 0.000 0.961 152 K CA -0.294 55.975 56.287 -0.030 0.000 0.833 152 K CB 1.777 34.261 32.500 -0.028 0.000 1.102 152 K HN 0.619 nan 8.250 nan 0.000 0.436 153 G N 1.365 110.149 108.800 -0.027 0.000 2.474 153 G HA2 0.394 4.354 3.960 0.000 0.000 0.233 153 G HA3 0.394 4.354 3.960 0.000 0.000 0.233 153 G C -0.655 174.236 174.900 -0.016 0.000 1.278 153 G CA 0.149 45.235 45.100 -0.023 0.000 0.861 153 G HN 0.636 nan 8.290 nan 0.000 0.567 154 A N 1.222 124.040 122.820 -0.004 0.000 2.609 154 A HA 0.650 4.971 4.320 0.000 0.000 0.291 154 A C -0.925 176.706 177.584 0.080 0.000 1.096 154 A CA -0.712 51.336 52.037 0.020 0.000 0.684 154 A CB 1.060 20.052 19.000 -0.012 0.000 1.282 154 A HN 0.946 nan 8.150 nan 0.000 0.412 155 H N 1.054 120.114 119.070 -0.017 0.000 2.690 155 H HA 0.586 5.143 4.556 0.000 0.000 0.289 155 H C -0.979 174.356 175.328 0.012 0.000 1.089 155 H CA -0.430 55.617 56.048 -0.001 0.000 1.299 155 H CB 0.158 29.923 29.762 0.005 0.000 1.405 155 H HN 0.466 nan 8.280 nan 0.000 0.463 156 I N 6.251 126.916 120.570 0.159 0.000 2.339 156 I HA 0.159 4.329 4.170 0.000 0.000 0.290 156 I C -0.465 175.705 176.117 0.087 0.000 0.994 156 I CA -0.973 60.380 61.300 0.088 0.000 1.191 156 I CB 1.796 39.841 38.000 0.075 0.000 1.343 156 I HN 0.287 nan 8.210 nan 0.000 0.458 157 V N 6.688 126.645 119.914 0.072 0.000 2.350 157 V HA 0.327 4.447 4.120 0.000 0.000 0.276 157 V C 0.459 176.597 176.094 0.073 0.000 1.028 157 V CA -0.624 61.690 62.300 0.024 0.000 0.860 157 V CB 1.246 33.032 31.823 -0.061 0.000 0.990 157 V HN 0.615 nan 8.190 nan 0.000 0.453 158 M N 4.587 124.216 119.600 0.048 0.000 2.200 158 M HA 0.216 4.696 4.480 0.000 0.000 0.355 158 M C 0.968 177.226 176.300 -0.069 0.000 1.283 158 M CA -0.053 55.248 55.300 0.001 0.000 1.124 158 M CB 0.735 33.343 32.600 0.013 0.000 1.625 158 M HN 0.785 nan 8.290 nan 0.000 0.463 159 D N 1.510 121.822 120.400 -0.146 0.000 2.350 159 D HA 0.059 4.699 4.640 0.000 0.000 0.213 159 D C -0.153 176.088 176.300 -0.098 0.000 1.031 159 D CA 0.475 54.398 54.000 -0.129 0.000 0.861 159 D CB 0.643 41.339 40.800 -0.173 0.000 0.926 159 D HN 0.488 nan 8.370 nan 0.000 0.520 160 K N 0.108 120.454 120.400 -0.091 0.000 2.477 160 K HA 0.468 4.788 4.320 0.000 0.000 0.255 160 K C -1.162 175.406 176.600 -0.053 0.000 0.952 160 K CA -0.982 55.262 56.287 -0.072 0.000 0.826 160 K CB 3.393 35.846 32.500 -0.079 0.000 1.331 160 K HN -0.242 nan 8.250 nan 0.000 0.437 161 V N 1.853 121.739 119.914 -0.046 0.000 2.427 161 V HA 0.178 4.298 4.120 0.000 0.000 0.268 161 V C -0.132 175.944 176.094 -0.029 0.000 1.046 161 V CA -0.042 62.241 62.300 -0.028 0.000 0.970 161 V CB 0.949 32.760 31.823 -0.020 0.000 1.001 161 V HN 0.752 nan 8.190 nan 0.000 0.476 162 S N 4.151 119.844 115.700 -0.012 0.000 2.647 162 S HA 0.421 4.891 4.470 0.000 0.000 0.300 162 S C 0.536 175.158 174.600 0.036 0.000 1.129 162 S CA -0.620 57.582 58.200 0.003 0.000 1.029 162 S CB 1.891 65.084 63.200 -0.012 0.000 1.007 162 S HN 0.317 nan 8.310 nan 0.000 0.484 163 V N 5.438 125.402 119.914 0.083 0.000 2.270 163 V HA 0.000 4.120 4.120 0.000 0.000 0.245 163 V C 2.704 178.936 176.094 0.230 0.000 1.043 163 V CA 2.522 64.904 62.300 0.137 0.000 1.014 163 V CB -1.293 30.633 31.823 0.172 0.000 0.645 163 V HN 0.957 nan 8.190 nan 0.000 0.447 164 G N -0.333 108.652 108.800 0.309 0.000 2.446 164 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 164 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 164 G C 1.772 176.756 174.900 0.140 0.000 1.168 164 G CA 1.183 46.596 45.100 0.522 0.000 0.771 164 G HN 0.619 nan 8.290 nan 0.000 0.551 165 A N 0.058 122.648 122.820 -0.383 0.000 1.933 165 A HA -0.003 4.317 4.320 0.000 0.000 0.218 165 A C 2.525 180.011 177.584 -0.164 0.000 1.175 165 A CA 2.434 54.101 52.037 -0.617 0.000 0.628 165 A CB -0.916 17.869 19.000 -0.359 0.000 0.814 165 A HN 0.308 nan 8.150 nan 0.000 0.444 166 T N -0.335 114.194 114.554 -0.042 0.000 2.746 166 T HA -0.119 4.231 4.350 0.000 0.000 0.267 166 T C 1.875 176.575 174.700 0.001 0.000 1.039 166 T CA 1.582 63.681 62.100 -0.001 0.000 1.142 166 T CB -0.395 68.483 68.868 0.016 0.000 0.866 166 T HN 0.167 nan 8.240 nan 0.000 0.444 167 V N 1.384 121.313 119.914 0.024 0.000 2.295 167 V HA -0.190 3.930 4.120 0.000 0.000 0.246 167 V C 2.793 178.868 176.094 -0.033 0.000 1.049 167 V CA 2.011 64.269 62.300 -0.070 0.000 1.024 167 V CB -1.142 30.520 31.823 -0.268 0.000 0.648 167 V HN 0.507 nan 8.190 nan 0.000 0.447 168 T N 0.435 115.059 114.554 0.117 0.000 2.652 168 T HA -0.176 4.174 4.350 0.000 0.000 0.267 168 T C 1.802 176.549 174.700 0.079 0.000 1.039 168 T CA 2.102 64.310 62.100 0.180 0.000 1.153 168 T CB -0.313 68.748 68.868 0.321 0.000 0.863 168 T HN 0.341 nan 8.240 nan 0.000 0.428 169 I N 0.733 121.326 120.570 0.039 0.000 2.179 169 I HA -0.190 3.981 4.170 0.000 0.000 0.242 169 I C 2.619 178.741 176.117 0.009 0.000 1.088 169 I CA 1.387 62.701 61.300 0.023 0.000 1.357 169 I CB -0.419 37.592 38.000 0.018 0.000 1.051 169 I HN 0.259 nan 8.210 nan 0.000 0.409 170 M N 0.390 119.989 119.600 -0.002 0.000 2.108 170 M HA -0.226 4.254 4.480 0.000 0.000 0.261 170 M C 2.433 178.721 176.300 -0.021 0.000 1.066 170 M CA 1.924 57.215 55.300 -0.015 0.000 1.107 170 M CB -0.026 32.558 32.600 -0.026 0.000 1.356 170 M HN 0.131 nan 8.290 nan 0.000 0.406 171 S N 0.731 116.420 115.700 -0.019 0.000 2.348 171 S HA -0.071 4.399 4.470 0.000 0.000 0.221 171 S C 2.036 176.638 174.600 0.003 0.000 1.033 171 S CA 1.343 59.536 58.200 -0.011 0.000 1.010 171 S CB -0.569 62.629 63.200 -0.002 0.000 0.891 171 S HN 0.699 nan 8.310 nan 0.000 0.442 172 A N 1.526 124.358 122.820 0.019 0.000 1.933 172 A HA 0.096 4.416 4.320 0.000 0.000 0.218 172 A C 2.312 179.892 177.584 -0.006 0.000 1.175 172 A CA 1.683 53.731 52.037 0.018 0.000 0.628 172 A CB -1.013 18.006 19.000 0.031 0.000 0.814 172 A HN 0.519 nan 8.150 nan 0.000 0.444 173 A N -0.094 122.719 122.820 -0.011 0.000 2.019 173 A HA -0.087 4.233 4.320 0.000 0.000 0.219 173 A C 2.353 179.918 177.584 -0.031 0.000 1.164 173 A CA 2.315 54.339 52.037 -0.021 0.000 0.644 173 A CB -1.407 17.582 19.000 -0.018 0.000 0.805 173 A HN 0.823 nan 8.150 nan 0.000 0.449 174 T N -1.803 112.730 114.554 -0.036 0.000 2.803 174 T HA -0.068 4.282 4.350 0.000 0.000 0.269 174 T C 1.330 175.999 174.700 -0.053 0.000 1.052 174 T CA 1.528 63.598 62.100 -0.050 0.000 1.136 174 T CB -0.384 68.445 68.868 -0.064 0.000 0.864 174 T HN 0.329 nan 8.240 nan 0.000 0.467 175 L N 0.643 121.836 121.223 -0.050 0.000 2.700 175 L HA 0.534 4.874 4.340 0.000 0.000 0.234 175 L C 1.322 178.161 176.870 -0.052 0.000 1.156 175 L CA -0.581 54.224 54.840 -0.058 0.000 0.946 175 L CB -0.334 41.682 42.059 -0.071 0.000 1.216 175 L HN 0.314 nan 8.230 nan 0.000 0.493 176 A N 0.278 123.072 122.820 -0.043 0.000 2.287 176 A HA 0.224 4.544 4.320 0.000 0.000 0.273 176 A C 0.122 177.683 177.584 -0.039 0.000 1.091 176 A CA -0.244 51.770 52.037 -0.039 0.000 0.817 176 A CB 0.399 19.380 19.000 -0.033 0.000 1.069 176 A HN 0.257 nan 8.150 nan 0.000 0.492 177 E N 0.004 120.182 120.200 -0.036 0.000 2.044 177 E HA 0.464 4.815 4.350 0.000 0.000 0.282 177 E C 0.487 177.068 176.600 -0.030 0.000 1.031 177 E CA 0.750 57.130 56.400 -0.033 0.000 0.824 177 E CB 0.143 29.824 29.700 -0.031 0.000 1.076 177 E HN 1.319 nan 8.360 nan 0.000 0.395 178 G N 2.681 111.463 108.800 -0.031 0.000 2.447 178 G HA2 -0.172 3.788 3.960 0.000 0.000 0.220 178 G HA3 -0.172 3.788 3.960 0.000 0.000 0.220 178 G C -0.578 174.303 174.900 -0.032 0.000 1.261 178 G CA -0.603 44.479 45.100 -0.030 0.000 1.000 178 G HN 0.449 nan 8.290 nan 0.000 0.515 179 T N 1.132 115.666 114.554 -0.034 0.000 2.824 179 T HA 0.704 5.054 4.350 0.000 0.000 0.280 179 T C -0.018 174.661 174.700 -0.036 0.000 0.995 179 T CA 0.204 62.281 62.100 -0.039 0.000 1.009 179 T CB 1.549 70.389 68.868 -0.047 0.000 0.955 179 T HN 0.738 nan 8.240 nan 0.000 0.452 180 T N 3.504 118.040 114.554 -0.031 0.000 2.855 180 T HA 0.662 5.012 4.350 0.000 0.000 0.281 180 T C -0.372 174.319 174.700 -0.016 0.000 1.007 180 T CA -0.534 61.556 62.100 -0.015 0.000 1.009 180 T CB 0.713 69.575 68.868 -0.009 0.000 0.983 180 T HN 0.414 nan 8.240 nan 0.000 0.455 181 I N 3.242 123.820 120.570 0.013 0.000 2.478 181 I HA 0.422 4.592 4.170 0.000 0.000 0.287 181 I C -0.721 175.479 176.117 0.139 0.000 1.042 181 I CA -0.742 60.575 61.300 0.029 0.000 1.067 181 I CB 1.769 39.702 38.000 -0.111 0.000 1.233 181 I HN 0.466 nan 8.210 nan 0.000 0.431 182 I N 5.896 126.521 120.570 0.093 0.000 2.307 182 I HA 0.258 4.429 4.170 0.000 0.000 0.289 182 I C 0.111 176.286 176.117 0.097 0.000 1.021 182 I CA -0.585 60.772 61.300 0.095 0.000 1.224 182 I CB 0.820 38.853 38.000 0.055 0.000 1.376 182 I HN 0.434 nan 8.210 nan 0.000 0.470 183 E N 4.970 125.236 120.200 0.109 0.000 2.301 183 E HA 0.108 4.458 4.350 0.000 0.000 0.275 183 E C 0.195 176.821 176.600 0.044 0.000 1.030 183 E CA -0.320 56.128 56.400 0.080 0.000 0.852 183 E CB 1.021 30.752 29.700 0.053 0.000 1.060 183 E HN 0.561 nan 8.360 nan 0.000 0.401 184 N N 0.548 119.267 118.700 0.032 0.000 2.758 184 N HA -0.223 4.518 4.740 0.000 0.000 0.248 184 N C -1.108 174.414 175.510 0.019 0.000 1.076 184 N CA 0.795 53.855 53.050 0.016 0.000 0.696 184 N CB -0.847 37.641 38.487 0.001 0.000 0.979 184 N HN 0.572 nan 8.380 nan 0.000 0.550 185 A N -0.110 122.726 122.820 0.027 0.000 2.366 185 A HA 0.700 5.020 4.320 0.000 0.000 0.249 185 A C 0.907 178.507 177.584 0.026 0.000 1.084 185 A CA 0.146 52.199 52.037 0.026 0.000 0.794 185 A CB 0.336 19.353 19.000 0.028 0.000 1.034 185 A HN 0.868 nan 8.150 nan 0.000 0.491 186 A N 0.648 123.484 122.820 0.027 0.000 2.425 186 A HA 0.492 4.812 4.320 0.000 0.000 0.249 186 A C 0.729 178.340 177.584 0.045 0.000 1.084 186 A CA -0.301 51.758 52.037 0.037 0.000 0.781 186 A CB 0.055 19.079 19.000 0.041 0.000 1.019 186 A HN 0.770 nan 8.150 nan 0.000 0.490 187 R N 0.564 121.106 120.500 0.071 0.000 2.362 187 R HA 0.168 4.508 4.340 0.000 0.000 0.227 187 R C -0.321 176.041 176.300 0.103 0.000 0.905 187 R CA -0.098 56.060 56.100 0.096 0.000 1.067 187 R CB -0.022 30.352 30.300 0.124 0.000 1.078 187 R HN 0.769 nan 8.270 nan 0.000 0.516 188 E N 1.193 121.416 120.200 0.038 0.000 2.534 188 E HA -0.078 4.272 4.350 0.000 0.000 0.264 188 E C -1.604 174.888 176.600 -0.179 0.000 0.981 188 E CA -0.811 55.505 56.400 -0.138 0.000 0.948 188 E CB 0.367 30.025 29.700 -0.070 0.000 0.934 188 E HN -0.061 nan 8.360 nan 0.000 0.459 189 P HA -0.170 nan 4.420 nan 0.000 0.217 189 P C 0.346 177.590 177.300 -0.093 0.000 1.148 189 P CA 1.213 64.200 63.100 -0.188 0.000 0.828 189 P CB 0.288 31.849 31.700 -0.232 0.000 0.783 190 E N -0.981 119.163 120.200 -0.093 0.000 2.153 190 E HA -0.131 4.219 4.350 0.000 0.000 0.194 190 E C 1.938 178.504 176.600 -0.057 0.000 0.988 190 E CA 0.816 57.182 56.400 -0.056 0.000 0.811 190 E CB -0.851 28.827 29.700 -0.038 0.000 0.746 190 E HN 0.201 nan 8.360 nan 0.000 0.466 191 I N 0.194 120.734 120.570 -0.049 0.000 2.252 191 I HA -0.196 3.975 4.170 0.000 0.000 0.245 191 I C 2.119 178.215 176.117 -0.035 0.000 1.102 191 I CA 0.921 62.195 61.300 -0.043 0.000 1.385 191 I CB -0.977 37.012 38.000 -0.018 0.000 1.064 191 I HN 0.022 nan 8.210 nan 0.000 0.414 192 V N 1.007 120.909 119.914 -0.020 0.000 2.343 192 V HA -0.293 3.827 4.120 0.000 0.000 0.247 192 V C 2.265 178.367 176.094 0.014 0.000 1.051 192 V CA 2.150 64.450 62.300 0.000 0.000 1.036 192 V CB -0.698 31.132 31.823 0.011 0.000 0.654 192 V HN 0.312 nan 8.190 nan 0.000 0.451 193 D N -0.267 120.145 120.400 0.020 0.000 2.117 193 D HA -0.134 4.506 4.640 0.000 0.000 0.198 193 D C 2.272 178.543 176.300 -0.048 0.000 0.982 193 D CA 1.697 55.740 54.000 0.071 0.000 0.828 193 D CB -0.110 40.744 40.800 0.089 0.000 0.967 193 D HN 0.397 nan 8.370 nan 0.000 0.464 194 T N -0.344 114.164 114.554 -0.077 0.000 2.821 194 T HA -0.085 4.265 4.350 0.000 0.000 0.267 194 T C 1.926 176.585 174.700 -0.069 0.000 1.046 194 T CA 1.266 63.307 62.100 -0.098 0.000 1.139 194 T CB -0.391 68.395 68.868 -0.137 0.000 0.871 194 T HN 0.201 nan 8.240 nan 0.000 0.454 195 A N 2.669 125.449 122.820 -0.066 0.000 1.877 195 A HA -0.167 4.153 4.320 0.000 0.000 0.216 195 A C 2.236 179.768 177.584 -0.086 0.000 1.186 195 A CA 1.544 53.543 52.037 -0.063 0.000 0.620 195 A CB -0.635 18.343 19.000 -0.038 0.000 0.822 195 A HN 0.391 nan 8.150 nan 0.000 0.443 196 N N -1.026 117.630 118.700 -0.074 0.000 2.244 196 N HA -0.118 4.622 4.740 0.000 0.000 0.183 196 N C 1.363 176.726 175.510 -0.245 0.000 1.016 196 N CA 1.382 54.398 53.050 -0.058 0.000 0.866 196 N CB -0.580 37.983 38.487 0.127 0.000 0.980 196 N HN 0.568 nan 8.380 nan 0.000 0.430 197 F N 1.795 121.319 119.950 -0.709 0.000 2.113 197 F HA -0.002 4.525 4.527 0.000 0.000 0.297 197 F C 1.989 177.573 175.800 -0.359 0.000 1.103 197 F CA 0.942 58.418 58.000 -0.873 0.000 1.248 197 F CB -0.523 37.963 39.000 -0.857 0.000 0.999 197 F HN -0.104 nan 8.300 nan 0.000 0.475 198 L N -0.381 120.575 121.223 -0.445 0.000 2.042 198 L HA -0.239 4.102 4.340 0.000 0.000 0.210 198 L C 2.432 179.102 176.870 -0.333 0.000 1.076 198 L CA 1.220 55.802 54.840 -0.430 0.000 0.749 198 L CB -0.990 40.951 42.059 -0.197 0.000 0.893 198 L HN 0.024 nan 8.230 nan 0.000 0.432 199 V N 0.118 119.900 119.914 -0.221 0.000 2.392 199 V HA -0.310 3.810 4.120 0.000 0.000 0.249 199 V C 2.715 178.722 176.094 -0.146 0.000 1.059 199 V CA 1.779 63.994 62.300 -0.142 0.000 1.051 199 V CB -0.888 30.888 31.823 -0.078 0.000 0.658 199 V HN 0.505 nan 8.190 nan 0.000 0.455 200 A N -0.479 122.231 122.820 -0.184 0.000 1.969 200 A HA -0.076 4.244 4.320 0.000 0.000 0.218 200 A C 2.073 179.547 177.584 -0.183 0.000 1.169 200 A CA 1.353 53.317 52.037 -0.122 0.000 0.635 200 A CB -0.418 18.563 19.000 -0.031 0.000 0.810 200 A HN 0.539 nan 8.150 nan 0.000 0.445 201 L N -1.661 119.366 121.223 -0.328 0.000 2.599 201 L HA 0.172 4.512 4.340 0.000 0.000 0.230 201 L C 1.676 178.442 176.870 -0.173 0.000 1.141 201 L CA 0.642 55.313 54.840 -0.282 0.000 0.877 201 L CB -0.080 41.730 42.059 -0.416 0.000 1.009 201 L HN 0.597 nan 8.230 nan 0.000 0.447 202 G N -0.706 108.005 108.800 -0.149 0.000 2.205 202 G HA2 -0.176 3.785 3.960 0.000 0.000 0.180 202 G HA3 -0.176 3.785 3.960 0.000 0.000 0.180 202 G C 0.395 175.237 174.900 -0.098 0.000 1.004 202 G CA -0.173 44.866 45.100 -0.101 0.000 0.670 202 G HN 0.408 nan 8.290 nan 0.000 0.496 203 A N 0.165 122.911 122.820 -0.124 0.000 2.406 203 A HA 0.632 4.952 4.320 0.000 0.000 0.243 203 A C 0.444 177.980 177.584 -0.080 0.000 1.082 203 A CA 0.503 52.478 52.037 -0.103 0.000 0.786 203 A CB 0.312 19.239 19.000 -0.122 0.000 1.029 203 A HN 0.368 nan 8.150 nan 0.000 0.495 204 K N 1.141 121.503 120.400 -0.064 0.000 2.464 204 K HA 0.577 4.897 4.320 0.000 0.000 0.252 204 K C -1.388 175.184 176.600 -0.046 0.000 1.000 204 K CA 0.285 56.542 56.287 -0.050 0.000 0.951 204 K CB 0.967 33.442 32.500 -0.043 0.000 1.183 204 K HN 0.588 nan 8.250 nan 0.000 0.445 205 I N 1.241 121.785 120.570 -0.043 0.000 2.730 205 I HA 0.356 4.526 4.170 0.000 0.000 0.298 205 I C -0.379 175.723 176.117 -0.026 0.000 1.089 205 I CA -0.805 60.473 61.300 -0.036 0.000 1.041 205 I CB 2.373 40.348 38.000 -0.042 0.000 1.235 205 I HN 0.551 nan 8.210 nan 0.000 0.423 206 S N 1.897 117.585 115.700 -0.021 0.000 2.550 206 S HA 0.805 5.275 4.470 0.000 0.000 0.270 206 S C 0.108 174.703 174.600 -0.009 0.000 1.145 206 S CA 0.017 58.209 58.200 -0.014 0.000 0.852 206 S CB 1.999 65.191 63.200 -0.014 0.000 1.119 206 S HN 1.411 nan 8.310 nan 0.000 0.465 207 G N 0.851 109.649 108.800 -0.002 0.000 2.213 207 G HA2 -0.240 3.720 3.960 0.000 0.000 0.236 207 G HA3 -0.240 3.720 3.960 0.000 0.000 0.236 207 G C 0.141 175.045 174.900 0.008 0.000 0.991 207 G CA 0.088 45.190 45.100 0.003 0.000 0.629 207 G HN 1.348 nan 8.290 nan 0.000 0.517 208 Q N 0.521 120.324 119.800 0.004 0.000 2.283 208 Q HA 0.365 4.705 4.340 0.000 0.000 0.301 208 Q C 1.184 177.194 176.000 0.017 0.000 1.063 208 Q CA 1.249 57.056 55.803 0.006 0.000 0.952 208 Q CB 0.808 29.545 28.738 -0.001 0.000 1.166 208 Q HN 1.890 nan 8.270 nan 0.000 0.381 209 G N 2.198 111.013 108.800 0.025 0.000 2.213 209 G HA2 -0.284 3.676 3.960 0.000 0.000 0.226 209 G HA3 -0.284 3.676 3.960 0.000 0.000 0.226 209 G C 0.258 175.185 174.900 0.045 0.000 0.992 209 G CA 0.314 45.439 45.100 0.042 0.000 0.632 209 G HN 1.156 nan 8.290 nan 0.000 0.511 210 T N -1.576 112.997 114.554 0.031 0.000 2.919 210 T HA 0.558 4.908 4.350 0.000 0.000 0.282 210 T C 0.728 175.444 174.700 0.027 0.000 1.020 210 T CA 0.620 62.736 62.100 0.027 0.000 0.994 210 T CB 1.698 70.578 68.868 0.019 0.000 1.180 210 T HN 0.244 nan 8.240 nan 0.000 0.566 211 D N -1.102 119.313 120.400 0.024 0.000 2.324 211 D HA 0.095 4.735 4.640 0.000 0.000 0.235 211 D C 0.552 176.871 176.300 0.031 0.000 1.095 211 D CA -0.243 53.772 54.000 0.025 0.000 0.871 211 D CB -0.147 40.665 40.800 0.020 0.000 0.906 211 D HN 0.607 nan 8.370 nan 0.000 0.522 212 R N 0.598 121.116 120.500 0.030 0.000 2.518 212 R HA 0.447 4.787 4.340 0.000 0.000 0.296 212 R C -1.714 174.600 176.300 0.024 0.000 1.080 212 R CA -0.536 55.586 56.100 0.036 0.000 0.922 212 R CB 0.509 30.832 30.300 0.037 0.000 1.184 212 R HN 0.023 nan 8.270 nan 0.000 0.445 213 I N 3.633 124.218 120.570 0.024 0.000 2.377 213 I HA 0.354 4.524 4.170 0.000 0.000 0.293 213 I C -0.318 175.801 176.117 0.004 0.000 0.987 213 I CA -0.835 60.471 61.300 0.011 0.000 1.185 213 I CB 2.382 40.387 38.000 0.009 0.000 1.341 213 I HN 0.603 nan 8.210 nan 0.000 0.455 214 T N 7.072 121.620 114.554 -0.010 0.000 2.779 214 T HA 0.633 4.983 4.350 0.000 0.000 0.280 214 T C -0.396 174.289 174.700 -0.025 0.000 0.987 214 T CA -0.315 61.771 62.100 -0.022 0.000 0.966 214 T CB 1.056 69.905 68.868 -0.032 0.000 0.933 214 T HN 0.170 nan 8.240 nan 0.000 0.442 215 I N 2.494 123.048 120.570 -0.027 0.000 2.465 215 I HA 0.371 4.541 4.170 0.000 0.000 0.291 215 I C 0.161 176.257 176.117 -0.035 0.000 1.014 215 I CA -0.580 60.701 61.300 -0.031 0.000 1.093 215 I CB 1.948 39.931 38.000 -0.029 0.000 1.267 215 I HN 0.543 nan 8.210 nan 0.000 0.431 216 E N 4.722 124.900 120.200 -0.038 0.000 2.102 216 E HA 0.516 4.866 4.350 0.000 0.000 0.263 216 E C 0.114 176.689 176.600 -0.040 0.000 0.894 216 E CA -0.632 55.745 56.400 -0.038 0.000 0.746 216 E CB 1.146 30.825 29.700 -0.036 0.000 1.129 216 E HN 0.849 nan 8.360 nan 0.000 0.416 217 G N 2.321 111.097 108.800 -0.039 0.000 2.647 217 G HA2 0.264 4.224 3.960 0.000 0.000 0.234 217 G HA3 0.264 4.224 3.960 0.000 0.000 0.234 217 G C 0.071 174.944 174.900 -0.044 0.000 1.252 217 G CA 0.173 45.248 45.100 -0.043 0.000 0.846 217 G HN 0.447 nan 8.290 nan 0.000 0.589 218 V N -1.290 118.594 119.914 -0.050 0.000 3.141 218 V HA 0.557 4.677 4.120 0.000 0.000 0.312 218 V C 0.821 176.883 176.094 -0.054 0.000 1.157 218 V CA -0.763 61.507 62.300 -0.050 0.000 1.041 218 V CB 1.883 33.673 31.823 -0.054 0.000 1.071 218 V HN 0.778 nan 8.190 nan 0.000 0.441 219 E N 1.063 121.233 120.200 -0.051 0.000 2.072 219 E HA -0.032 4.318 4.350 0.000 0.000 0.191 219 E C 0.423 176.983 176.600 -0.066 0.000 0.985 219 E CA 1.742 58.109 56.400 -0.055 0.000 0.801 219 E CB 0.125 29.798 29.700 -0.046 0.000 0.750 219 E HN 0.768 nan 8.360 nan 0.000 0.452 220 R N -0.838 119.624 120.500 -0.065 0.000 2.716 220 R HA 0.538 4.878 4.340 0.000 0.000 0.271 220 R C -1.362 174.895 176.300 -0.072 0.000 1.028 220 R CA -0.758 55.298 56.100 -0.073 0.000 0.883 220 R CB 0.947 31.208 30.300 -0.066 0.000 1.250 220 R HN -0.154 nan 8.270 nan 0.000 0.465 221 L N 1.007 122.184 121.223 -0.077 0.000 2.334 221 L HA 0.598 4.939 4.340 0.000 0.000 0.276 221 L C 0.628 177.457 176.870 -0.068 0.000 1.014 221 L CA -0.662 54.125 54.840 -0.087 0.000 0.815 221 L CB 2.030 44.023 42.059 -0.110 0.000 1.268 221 L HN 1.002 nan 8.230 nan 0.000 0.428 222 G N 1.243 110.001 108.800 -0.071 0.000 3.311 222 G HA2 0.609 4.569 3.960 0.000 0.000 0.169 222 G HA3 0.609 4.569 3.960 0.000 0.000 0.169 222 G C 0.050 174.929 174.900 -0.035 0.000 1.852 222 G CA 0.416 45.491 45.100 -0.042 0.000 1.010 222 G HN 0.758 nan 8.290 nan 0.000 0.530 223 G N -3.112 105.674 108.800 -0.023 0.000 2.911 223 G HA2 0.710 4.670 3.960 0.000 0.000 0.299 223 G HA3 0.710 4.670 3.960 0.000 0.000 0.299 223 G C -0.358 174.548 174.900 0.010 0.000 1.283 223 G CA 0.148 45.252 45.100 0.007 0.000 0.805 223 G HN 1.833 nan 8.290 nan 0.000 0.548 224 G N -2.613 106.224 108.800 0.062 0.000 2.352 224 G HA2 0.505 4.465 3.960 0.000 0.000 0.283 224 G HA3 0.505 4.465 3.960 0.000 0.000 0.283 224 G C -2.015 172.963 174.900 0.129 0.000 1.308 224 G CA 0.193 45.340 45.100 0.078 0.000 0.892 224 G HN 1.439 nan 8.290 nan 0.000 0.504 225 V N 0.480 120.476 119.914 0.137 0.000 2.577 225 V HA 0.715 4.835 4.120 0.000 0.000 0.303 225 V C -1.298 174.918 176.094 0.203 0.000 1.042 225 V CA -0.571 61.808 62.300 0.132 0.000 0.872 225 V CB 1.534 33.400 31.823 0.072 0.000 0.998 225 V HN 0.944 nan 8.190 nan 0.000 0.423 226 Y N 4.215 124.555 120.300 0.067 0.000 2.457 226 Y HA 0.607 5.157 4.550 0.000 0.000 0.343 226 Y C -0.206 175.677 175.900 -0.028 0.000 0.994 226 Y CA -0.832 57.312 58.100 0.074 0.000 1.031 226 Y CB 1.730 40.343 38.460 0.256 0.000 1.246 226 Y HN 0.614 nan 8.280 nan 0.000 0.449 227 R N 5.438 125.607 120.500 -0.553 0.000 2.229 227 R HA 0.568 4.908 4.340 0.000 0.000 0.332 227 R C -1.397 174.694 176.300 -0.349 0.000 0.989 227 R CA -0.537 55.352 56.100 -0.353 0.000 0.842 227 R CB 0.819 30.949 30.300 -0.284 0.000 1.119 227 R HN 0.622 nan 8.270 nan 0.000 0.456 228 V N 6.429 126.274 119.914 -0.115 0.000 2.763 228 V HA -0.016 4.104 4.120 0.000 0.000 0.306 228 V C 1.053 177.116 176.094 -0.052 0.000 1.059 228 V CA -0.081 62.207 62.300 -0.021 0.000 1.138 228 V CB 0.504 32.307 31.823 -0.033 0.000 0.940 228 V HN 0.688 nan 8.190 nan 0.000 0.489 229 L N 4.826 126.043 121.223 -0.010 0.000 2.472 229 L HA 0.523 4.863 4.340 0.000 0.000 0.260 229 L C -2.377 174.480 176.870 -0.021 0.000 1.209 229 L CA -1.611 53.215 54.840 -0.023 0.000 0.817 229 L CB -0.118 41.940 42.059 -0.002 0.000 1.106 229 L HN 0.348 nan 8.230 nan 0.000 0.479 230 P HA -0.017 nan 4.420 nan 0.000 0.269 230 P C -1.140 176.157 177.300 -0.006 0.000 1.209 230 P CA 0.049 63.146 63.100 -0.005 0.000 0.776 230 P CB 0.335 32.039 31.700 0.006 0.000 0.876 231 D N 2.899 123.299 120.400 -0.001 0.000 2.359 231 D HA -0.007 4.633 4.640 0.000 0.000 0.250 231 D C 1.322 177.623 176.300 0.002 0.000 1.264 231 D CA -0.090 53.901 54.000 -0.014 0.000 0.911 231 D CB 0.514 41.296 40.800 -0.030 0.000 1.056 231 D HN 0.341 nan 8.370 nan 0.000 0.499 232 R N 3.661 124.155 120.500 -0.011 0.000 2.152 232 R HA -0.116 4.224 4.340 0.000 0.000 0.232 232 R C 1.361 177.665 176.300 0.007 0.000 1.117 232 R CA 0.557 56.657 56.100 0.001 0.000 0.981 232 R CB -0.105 30.182 30.300 -0.021 0.000 0.870 232 R HN 0.341 nan 8.270 nan 0.000 0.451 233 I N 1.715 122.273 120.570 -0.020 0.000 2.406 233 I HA -0.113 4.057 4.170 0.000 0.000 0.249 233 I C 2.487 178.612 176.117 0.014 0.000 1.122 233 I CA 1.120 62.408 61.300 -0.019 0.000 1.431 233 I CB -1.147 36.818 38.000 -0.059 0.000 1.087 233 I HN 0.351 nan 8.210 nan 0.000 0.424 234 E N 0.960 121.155 120.200 -0.007 0.000 2.077 234 E HA -0.189 4.161 4.350 0.000 0.000 0.193 234 E C 2.038 178.779 176.600 0.235 0.000 0.989 234 E CA 1.952 58.411 56.400 0.098 0.000 0.800 234 E CB 0.185 29.957 29.700 0.119 0.000 0.746 234 E HN 0.379 nan 8.360 nan 0.000 0.452 235 T N -0.145 114.526 114.554 0.194 0.000 2.652 235 T HA -0.158 4.192 4.350 0.000 0.000 0.267 235 T C 1.761 176.577 174.700 0.194 0.000 1.039 235 T CA 1.377 63.607 62.100 0.217 0.000 1.153 235 T CB -0.750 68.196 68.868 0.131 0.000 0.863 235 T HN 0.411 nan 8.240 nan 0.000 0.428 236 G N 0.844 109.724 108.800 0.132 0.000 2.450 236 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 236 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 236 G C 1.704 176.677 174.900 0.122 0.000 1.130 236 G CA 1.461 46.644 45.100 0.138 0.000 0.760 236 G HN 0.464 nan 8.290 nan 0.000 0.557 237 T N 0.777 115.376 114.554 0.076 0.000 2.708 237 T HA -0.058 4.292 4.350 0.000 0.000 0.266 237 T C 2.036 176.658 174.700 -0.129 0.000 1.037 237 T CA 0.989 63.062 62.100 -0.045 0.000 1.146 237 T CB -0.330 68.495 68.868 -0.073 0.000 0.865 237 T HN 0.300 nan 8.240 nan 0.000 0.435 238 F N 0.779 120.785 119.950 0.094 0.000 2.259 238 F HA 0.125 4.652 4.527 0.000 0.000 0.298 238 F C 2.091 177.914 175.800 0.038 0.000 1.088 238 F CA 0.516 58.551 58.000 0.058 0.000 1.358 238 F CB -0.393 38.648 39.000 0.068 0.000 1.040 238 F HN 0.061 nan 8.300 nan 0.000 0.505 239 L N -0.840 120.509 121.223 0.210 0.000 2.093 239 L HA -0.190 4.150 4.340 0.000 0.000 0.208 239 L C 2.277 179.180 176.870 0.056 0.000 1.085 239 L CA 0.621 55.541 54.840 0.133 0.000 0.755 239 L CB -0.643 41.497 42.059 0.135 0.000 0.904 239 L HN -0.019 nan 8.230 nan 0.000 0.435 240 V N -0.114 119.804 119.914 0.008 0.000 2.548 240 V HA -0.221 3.899 4.120 0.000 0.000 0.249 240 V C 2.714 178.766 176.094 -0.069 0.000 1.055 240 V CA 1.496 63.733 62.300 -0.105 0.000 1.065 240 V CB -0.578 31.137 31.823 -0.180 0.000 0.681 240 V HN 0.457 nan 8.190 nan 0.000 0.462 241 A N 0.200 123.010 122.820 -0.017 0.000 1.908 241 A HA -0.198 4.122 4.320 0.000 0.000 0.218 241 A C 2.415 180.010 177.584 0.018 0.000 1.181 241 A CA 2.356 54.396 52.037 0.005 0.000 0.627 241 A CB -0.746 18.303 19.000 0.082 0.000 0.818 241 A HN 0.569 nan 8.150 nan 0.000 0.445 242 A N -0.380 122.463 122.820 0.039 0.000 1.872 242 A HA 0.248 4.569 4.320 0.000 0.000 0.214 242 A C 2.521 180.100 177.584 -0.008 0.000 1.187 242 A CA 1.898 53.947 52.037 0.021 0.000 0.614 242 A CB -1.099 17.920 19.000 0.031 0.000 0.826 242 A HN 1.137 nan 8.150 nan 0.000 0.442 243 A N 0.568 123.375 122.820 -0.021 0.000 1.978 243 A HA -0.126 4.194 4.320 0.000 0.000 0.220 243 A C 2.019 179.575 177.584 -0.046 0.000 1.170 243 A CA 1.650 53.663 52.037 -0.039 0.000 0.636 243 A CB -0.826 18.134 19.000 -0.068 0.000 0.810 243 A HN 1.032 nan 8.150 nan 0.000 0.448 244 I N -3.020 117.517 120.570 -0.054 0.000 3.728 244 I HA 0.120 4.290 4.170 0.000 0.000 0.307 244 I C 1.334 177.436 176.117 -0.025 0.000 1.276 244 I CA 1.089 62.360 61.300 -0.047 0.000 1.285 244 I CB 0.243 38.206 38.000 -0.063 0.000 1.038 244 I HN 0.230 nan 8.210 nan 0.000 0.445 245 S N -0.056 115.633 115.700 -0.018 0.000 2.663 245 S HA 0.444 4.914 4.470 0.000 0.000 0.243 245 S C 1.492 176.089 174.600 -0.005 0.000 1.009 245 S CA 0.136 58.331 58.200 -0.009 0.000 0.988 245 S CB 0.190 63.387 63.200 -0.004 0.000 0.896 245 S HN 0.713 nan 8.310 nan 0.000 0.502 246 G N 0.587 109.383 108.800 -0.006 0.000 2.180 246 G HA2 -0.196 3.765 3.960 0.000 0.000 0.263 246 G HA3 -0.196 3.765 3.960 0.000 0.000 0.263 246 G C 0.592 175.485 174.900 -0.011 0.000 0.989 246 G CA 0.203 45.301 45.100 -0.003 0.000 0.692 246 G HN 1.104 nan 8.290 nan 0.000 0.526 247 G N -0.989 107.802 108.800 -0.015 0.000 2.525 247 G HA2 0.595 4.556 3.960 0.000 0.000 0.287 247 G HA3 0.595 4.556 3.960 0.000 0.000 0.287 247 G C -0.157 174.718 174.900 -0.041 0.000 1.350 247 G CA 0.097 45.186 45.100 -0.019 0.000 1.039 247 G HN 0.561 nan 8.290 nan 0.000 0.513 248 K N -1.072 119.306 120.400 -0.037 0.000 2.464 248 K HA 0.663 4.983 4.320 0.000 0.000 0.253 248 K C -1.716 174.873 176.600 -0.019 0.000 0.933 248 K CA -0.734 55.523 56.287 -0.049 0.000 0.801 248 K CB 2.308 34.765 32.500 -0.072 0.000 1.271 248 K HN 0.447 nan 8.250 nan 0.000 0.430 249 I N 2.262 122.831 120.570 -0.001 0.000 3.004 249 I HA 0.426 4.596 4.170 0.000 0.000 0.305 249 I C -1.834 174.302 176.117 0.031 0.000 1.312 249 I CA -0.936 60.371 61.300 0.011 0.000 0.992 249 I CB 2.398 40.420 38.000 0.036 0.000 1.282 249 I HN 0.375 nan 8.210 nan 0.000 0.449 250 V N 4.901 124.824 119.914 0.016 0.000 2.525 250 V HA 0.359 4.480 4.120 0.000 0.000 0.299 250 V C -0.743 175.379 176.094 0.047 0.000 1.034 250 V CA -0.574 61.755 62.300 0.048 0.000 0.863 250 V CB 1.436 33.239 31.823 -0.033 0.000 0.999 250 V HN 0.784 nan 8.190 nan 0.000 0.423 251 C N 6.086 125.456 119.300 0.117 0.000 2.285 251 C HA 0.627 5.087 4.460 0.000 0.000 0.335 251 C C 0.547 175.617 174.990 0.135 0.000 1.267 251 C CA -1.065 58.006 59.018 0.089 0.000 1.762 251 C CB 0.038 27.849 27.740 0.118 0.000 2.365 251 C HN 0.736 nan 8.230 nan 0.000 0.527 252 R N 2.355 122.899 120.500 0.074 0.000 2.573 252 R HA 0.283 4.623 4.340 0.000 0.000 0.272 252 R C 0.273 176.619 176.300 0.076 0.000 1.009 252 R CA -0.395 55.761 56.100 0.094 0.000 1.059 252 R CB 0.269 30.588 30.300 0.033 0.000 1.112 252 R HN 0.784 nan 8.270 nan 0.000 0.517 253 N N -1.274 117.477 118.700 0.084 0.000 2.754 253 N HA -0.190 4.550 4.740 0.000 0.000 0.248 253 N C -1.101 174.438 175.510 0.049 0.000 1.093 253 N CA 1.168 54.250 53.050 0.052 0.000 0.699 253 N CB -0.943 37.561 38.487 0.028 0.000 1.016 253 N HN 0.744 nan 8.380 nan 0.000 0.552 254 A N -0.209 122.650 122.820 0.065 0.000 2.269 254 A HA 0.721 5.041 4.320 0.000 0.000 0.327 254 A C 0.183 177.772 177.584 0.009 0.000 1.112 254 A CA -0.392 51.672 52.037 0.046 0.000 0.865 254 A CB 1.155 20.196 19.000 0.068 0.000 1.227 254 A HN 0.215 nan 8.150 nan 0.000 0.498 255 Q N 0.530 120.329 119.800 -0.002 0.000 2.771 255 Q HA 0.307 4.647 4.340 0.000 0.000 0.247 255 Q C -2.270 173.716 176.000 -0.025 0.000 0.986 255 Q CA -1.771 54.019 55.803 -0.021 0.000 0.713 255 Q CB 1.261 29.990 28.738 -0.014 0.000 1.241 255 Q HN 0.439 nan 8.270 nan 0.000 0.488 256 P HA -0.244 nan 4.420 nan 0.000 0.218 256 P C 0.632 177.917 177.300 -0.025 0.000 1.154 256 P CA 1.777 64.843 63.100 -0.057 0.000 0.872 256 P CB 0.190 31.814 31.700 -0.126 0.000 0.790 257 D N -1.411 118.976 120.400 -0.022 0.000 2.384 257 D HA -0.120 4.520 4.640 0.000 0.000 0.222 257 D C 1.190 177.520 176.300 0.049 0.000 0.976 257 D CA 1.514 55.518 54.000 0.006 0.000 0.915 257 D CB -1.555 39.247 40.800 0.003 0.000 0.896 257 D HN 0.253 nan 8.370 nan 0.000 0.523 258 T N -2.634 111.946 114.554 0.044 0.000 3.107 258 T HA 0.217 4.567 4.350 0.000 0.000 0.249 258 T C 1.210 175.972 174.700 0.103 0.000 1.096 258 T CA -0.272 61.876 62.100 0.079 0.000 1.012 258 T CB -0.317 68.550 68.868 -0.001 0.000 0.977 258 T HN 0.202 nan 8.240 nan 0.000 0.527 259 L N 0.503 121.763 121.223 0.061 0.000 3.358 259 L HA 0.362 4.702 4.340 0.000 0.000 0.301 259 L C 0.879 177.766 176.870 0.028 0.000 1.276 259 L CA -0.315 54.549 54.840 0.040 0.000 1.028 259 L CB 0.512 42.592 42.059 0.034 0.000 1.421 259 L HN -0.006 nan 8.230 nan 0.000 0.604 260 D N 1.634 122.048 120.400 0.023 0.000 2.126 260 D HA -0.247 4.393 4.640 0.000 0.000 0.190 260 D C 2.145 178.453 176.300 0.013 0.000 1.001 260 D CA 1.858 55.863 54.000 0.008 0.000 0.841 260 D CB 0.188 40.980 40.800 -0.012 0.000 0.949 260 D HN 0.407 nan 8.370 nan 0.000 0.446 261 A N 0.719 123.537 122.820 -0.005 0.000 1.883 261 A HA -0.154 4.166 4.320 0.000 0.000 0.217 261 A C 2.636 180.254 177.584 0.057 0.000 1.186 261 A CA 1.607 53.656 52.037 0.020 0.000 0.624 261 A CB -0.854 18.146 19.000 0.002 0.000 0.822 261 A HN 0.160 nan 8.150 nan 0.000 0.444 262 V N 0.278 120.189 119.914 -0.006 0.000 2.295 262 V HA -0.266 3.854 4.120 0.000 0.000 0.246 262 V C 2.587 178.789 176.094 0.180 0.000 1.049 262 V CA 2.008 64.337 62.300 0.047 0.000 1.024 262 V CB -0.814 31.012 31.823 0.005 0.000 0.648 262 V HN 0.572 nan 8.190 nan 0.000 0.447 263 L N 0.063 121.358 121.223 0.121 0.000 2.083 263 L HA -0.173 4.167 4.340 0.000 0.000 0.209 263 L C 2.739 179.682 176.870 0.122 0.000 1.083 263 L CA 1.563 56.476 54.840 0.122 0.000 0.752 263 L CB -0.891 41.211 42.059 0.072 0.000 0.899 263 L HN 0.380 nan 8.230 nan 0.000 0.433 264 A N -0.034 122.845 122.820 0.098 0.000 1.902 264 A HA -0.227 4.093 4.320 0.000 0.000 0.217 264 A C 2.303 179.957 177.584 0.117 0.000 1.181 264 A CA 1.754 53.843 52.037 0.086 0.000 0.623 264 A CB -0.332 18.704 19.000 0.060 0.000 0.818 264 A HN 0.161 nan 8.150 nan 0.000 0.443 265 K N -0.221 120.273 120.400 0.158 0.000 2.097 265 K HA 0.112 4.432 4.320 0.000 0.000 0.205 265 K C 1.751 178.537 176.600 0.309 0.000 1.050 265 K CA 0.898 57.307 56.287 0.204 0.000 0.938 265 K CB -0.460 32.135 32.500 0.157 0.000 0.718 265 K HN 0.508 nan 8.250 nan 0.000 0.442 266 L N 0.023 121.449 121.223 0.338 0.000 2.093 266 L HA -0.150 4.190 4.340 0.000 0.000 0.208 266 L C 2.318 179.282 176.870 0.157 0.000 1.085 266 L CA 1.196 56.193 54.840 0.262 0.000 0.755 266 L CB -0.257 41.937 42.059 0.225 0.000 0.904 266 L HN 0.150 nan 8.230 nan 0.000 0.435 267 R N 0.012 120.592 120.500 0.134 0.000 2.081 267 R HA -0.172 4.168 4.340 0.000 0.000 0.235 267 R C 2.086 178.441 176.300 0.092 0.000 1.131 267 R CA 1.277 57.437 56.100 0.099 0.000 0.960 267 R CB -0.275 30.075 30.300 0.083 0.000 0.856 267 R HN 0.435 nan 8.270 nan 0.000 0.436 268 E N 0.310 120.570 120.200 0.099 0.000 2.204 268 E HA -0.150 4.201 4.350 0.000 0.000 0.195 268 E C 1.674 178.324 176.600 0.083 0.000 0.990 268 E CA 1.037 57.486 56.400 0.083 0.000 0.821 268 E CB 0.024 29.773 29.700 0.080 0.000 0.750 268 E HN 0.345 nan 8.360 nan 0.000 0.477 269 A N -0.307 122.575 122.820 0.104 0.000 2.169 269 A HA 0.200 4.520 4.320 0.000 0.000 0.212 269 A C 1.667 179.288 177.584 0.062 0.000 1.153 269 A CA 0.979 53.066 52.037 0.082 0.000 0.756 269 A CB 0.042 19.094 19.000 0.086 0.000 0.813 269 A HN 0.347 nan 8.150 nan 0.000 0.471 270 G N -2.492 106.350 108.800 0.070 0.000 2.175 270 G HA2 0.199 4.159 3.960 0.000 0.000 0.182 270 G HA3 0.199 4.159 3.960 0.000 0.000 0.182 270 G C 0.314 175.260 174.900 0.077 0.000 1.003 270 G CA 0.059 45.200 45.100 0.068 0.000 0.666 270 G HN 1.415 nan 8.290 nan 0.000 0.506 271 A N 0.129 122.992 122.820 0.072 0.000 2.371 271 A HA 0.581 4.901 4.320 0.000 0.000 0.257 271 A C 0.088 177.720 177.584 0.080 0.000 1.089 271 A CA 0.549 52.623 52.037 0.062 0.000 0.794 271 A CB 0.610 19.643 19.000 0.056 0.000 1.029 271 A HN 0.529 nan 8.150 nan 0.000 0.488 272 D N 1.834 122.276 120.400 0.070 0.000 2.428 272 D HA 0.466 5.107 4.640 0.000 0.000 0.221 272 D C -0.594 175.753 176.300 0.079 0.000 1.123 272 D CA 0.061 54.125 54.000 0.107 0.000 0.869 272 D CB -0.043 40.880 40.800 0.205 0.000 1.032 272 D HN 0.351 nan 8.370 nan 0.000 0.506 273 I N 2.774 123.397 120.570 0.088 0.000 2.441 273 I HA 0.415 4.585 4.170 0.000 0.000 0.295 273 I C 0.088 176.262 176.117 0.095 0.000 0.994 273 I CA -0.799 60.555 61.300 0.090 0.000 1.144 273 I CB 1.814 39.861 38.000 0.079 0.000 1.314 273 I HN 0.272 nan 8.210 nan 0.000 0.445 274 E N 3.119 123.395 120.200 0.126 0.000 2.331 274 E HA 0.514 4.864 4.350 0.000 0.000 0.275 274 E C -1.137 175.471 176.600 0.013 0.000 0.895 274 E CA -0.798 55.674 56.400 0.120 0.000 0.753 274 E CB 2.613 32.455 29.700 0.237 0.000 1.216 274 E HN 0.674 nan 8.360 nan 0.000 0.434 275 T N -1.178 113.217 114.554 -0.264 0.000 2.916 275 T HA 0.848 5.198 4.350 0.000 0.000 0.292 275 T C 0.202 174.175 174.700 -1.212 0.000 1.055 275 T CA -0.712 60.962 62.100 -0.710 0.000 1.009 275 T CB 1.929 70.570 68.868 -0.379 0.000 1.118 275 T HN 0.498 nan 8.240 nan 0.000 0.497 276 G N -0.122 107.581 108.800 -1.828 0.000 3.251 276 G HA2 0.490 4.450 3.960 0.000 0.000 0.248 276 G HA3 0.490 4.450 3.960 0.000 0.000 0.248 276 G C 0.261 174.739 174.900 -0.703 0.000 1.320 276 G CA -0.483 43.763 45.100 -1.424 0.000 0.982 276 G HN 0.705 nan 8.290 nan 0.000 0.575 277 E N -0.363 119.634 120.200 -0.339 0.000 2.072 277 E HA -0.079 4.271 4.350 0.000 0.000 0.191 277 E C 0.885 177.404 176.600 -0.134 0.000 0.985 277 E CA 2.014 58.324 56.400 -0.150 0.000 0.801 277 E CB 0.160 29.847 29.700 -0.021 0.000 0.750 277 E HN 0.469 nan 8.360 nan 0.000 0.452 278 D N -1.146 119.197 120.400 -0.096 0.000 2.760 278 D HA 0.071 4.711 4.640 0.000 0.000 0.314 278 D C -0.520 175.849 176.300 0.114 0.000 1.464 278 D CA -0.581 53.422 54.000 0.006 0.000 0.797 278 D CB -0.884 39.960 40.800 0.073 0.000 1.149 278 D HN 0.303 nan 8.370 nan 0.000 0.455 279 W N -0.147 121.158 121.300 0.008 0.000 3.137 279 W HA 0.671 5.331 4.660 0.000 0.000 0.324 279 W C -2.116 174.413 176.519 0.016 0.000 1.253 279 W CA -1.274 56.076 57.345 0.008 0.000 1.183 279 W CB 0.472 29.934 29.460 0.002 0.000 1.424 279 W HN -0.282 nan 8.180 nan 0.000 0.566 280 I N 2.912 123.691 120.570 0.348 0.000 2.619 280 I HA 0.343 4.513 4.170 0.000 0.000 0.292 280 I C -0.234 176.117 176.117 0.391 0.000 1.100 280 I CA -0.751 60.683 61.300 0.224 0.000 1.043 280 I CB 2.605 40.663 38.000 0.096 0.000 1.239 280 I HN 0.456 nan 8.210 nan 0.000 0.420 281 S N 6.816 122.753 115.700 0.396 0.000 2.500 281 S HA 0.830 5.300 4.470 0.000 0.000 0.301 281 S C -1.058 173.638 174.600 0.161 0.000 1.092 281 S CA -0.731 57.634 58.200 0.274 0.000 1.030 281 S CB 2.248 65.626 63.200 0.296 0.000 1.031 281 S HN 0.643 nan 8.310 nan 0.000 0.483 282 L N 2.298 123.576 121.223 0.092 0.000 2.410 282 L HA 0.674 5.014 4.340 0.000 0.000 0.270 282 L C -1.902 174.954 176.870 -0.024 0.000 0.983 282 L CA -0.299 54.569 54.840 0.047 0.000 0.822 282 L CB 1.867 43.961 42.059 0.057 0.000 1.285 282 L HN 0.831 nan 8.230 nan 0.000 0.409 283 D N 4.901 125.240 120.400 -0.101 0.000 2.696 283 D HA 0.280 4.920 4.640 0.000 0.000 0.251 283 D C 0.257 176.348 176.300 -0.348 0.000 1.188 283 D CA -0.426 53.405 54.000 -0.281 0.000 0.876 283 D CB 1.906 42.421 40.800 -0.475 0.000 1.334 283 D HN 0.487 nan 8.370 nan 0.000 0.540 284 M N 1.589 121.052 119.600 -0.228 0.000 2.541 284 M HA 0.022 4.502 4.480 0.000 0.000 0.252 284 M C 0.136 176.418 176.300 -0.030 0.000 1.125 284 M CA 0.312 55.553 55.300 -0.098 0.000 1.091 284 M CB -0.661 31.920 32.600 -0.032 0.000 1.420 284 M HN 0.490 nan 8.290 nan 0.000 0.486 285 H N 0.036 119.119 119.070 0.022 0.000 2.770 285 H HA -0.152 4.404 4.556 0.000 0.000 0.309 285 H C 1.314 176.651 175.328 0.014 0.000 1.206 285 H CA 0.897 56.956 56.048 0.018 0.000 1.147 285 H CB -2.246 27.528 29.762 0.020 0.000 1.422 285 H HN 0.635 nan 8.280 nan 0.000 0.420 286 G N -0.507 108.335 108.800 0.070 0.000 2.186 286 G HA2 -0.357 3.603 3.960 0.000 0.000 0.266 286 G HA3 -0.357 3.603 3.960 0.000 0.000 0.266 286 G C 0.415 175.344 174.900 0.048 0.000 0.982 286 G CA 0.918 46.048 45.100 0.049 0.000 0.670 286 G HN 0.382 nan 8.290 nan 0.000 0.533 287 K N 0.231 120.667 120.400 0.061 0.000 2.174 287 K HA 0.361 4.681 4.320 0.000 0.000 0.275 287 K C 0.782 177.401 176.600 0.032 0.000 1.015 287 K CA -0.817 55.501 56.287 0.051 0.000 0.933 287 K CB 1.183 33.725 32.500 0.070 0.000 1.025 287 K HN 0.455 nan 8.250 nan 0.000 0.463 288 R N 3.578 124.093 120.500 0.026 0.000 2.543 288 R HA 0.119 4.459 4.340 0.000 0.000 0.277 288 R C -1.964 174.347 176.300 0.019 0.000 1.074 288 R CA -1.001 55.110 56.100 0.018 0.000 1.076 288 R CB 0.337 30.648 30.300 0.018 0.000 0.993 288 R HN 0.350 nan 8.270 nan 0.000 0.459 289 P HA 0.072 nan 4.420 nan 0.000 0.272 289 P C -1.265 176.047 177.300 0.020 0.000 1.223 289 P CA -0.102 63.005 63.100 0.011 0.000 0.784 289 P CB 0.763 32.456 31.700 -0.012 0.000 0.923 290 K N 1.097 121.515 120.400 0.029 0.000 2.172 290 K HA 0.470 4.790 4.320 0.000 0.000 0.276 290 K C 0.248 176.870 176.600 0.036 0.000 1.013 290 K CA -0.625 55.682 56.287 0.033 0.000 0.913 290 K CB 1.320 33.843 32.500 0.038 0.000 1.055 290 K HN 0.556 nan 8.250 nan 0.000 0.461 291 A N 2.361 125.199 122.820 0.030 0.000 2.540 291 A HA 0.251 4.571 4.320 0.000 0.000 0.239 291 A C 0.393 177.998 177.584 0.036 0.000 1.061 291 A CA -0.225 51.829 52.037 0.028 0.000 0.758 291 A CB -0.103 18.907 19.000 0.017 0.000 0.991 291 A HN 0.547 nan 8.150 nan 0.000 0.502 292 V N -0.166 119.776 119.914 0.046 0.000 3.074 292 V HA 0.881 5.001 4.120 0.000 0.000 0.314 292 V C -0.079 176.015 176.094 -0.000 0.000 1.117 292 V CA -0.601 61.725 62.300 0.042 0.000 1.014 292 V CB 1.796 33.678 31.823 0.098 0.000 1.057 292 V HN 0.767 nan 8.190 nan 0.000 0.438 293 T N 1.904 116.440 114.554 -0.031 0.000 2.779 293 T HA 0.734 5.084 4.350 0.000 0.000 0.280 293 T C -0.579 174.036 174.700 -0.141 0.000 0.987 293 T CA -0.263 61.796 62.100 -0.069 0.000 0.966 293 T CB 1.303 70.142 68.868 -0.047 0.000 0.933 293 T HN 0.749 nan 8.240 nan 0.000 0.442 294 V N 3.539 123.328 119.914 -0.209 0.000 2.823 294 V HA 0.719 4.839 4.120 0.000 0.000 0.312 294 V C -0.289 175.653 176.094 -0.254 0.000 1.072 294 V CA -1.092 60.973 62.300 -0.392 0.000 0.937 294 V CB 2.279 33.621 31.823 -0.802 0.000 1.013 294 V HN 0.800 nan 8.190 nan 0.000 0.430 295 R N 1.937 122.303 120.500 -0.224 0.000 2.569 295 R HA 0.479 4.819 4.340 0.000 0.000 0.293 295 R C -0.262 176.037 176.300 -0.002 0.000 1.186 295 R CA -0.222 55.832 56.100 -0.077 0.000 0.956 295 R CB 1.540 31.815 30.300 -0.041 0.000 1.196 295 R HN 0.922 nan 8.270 nan 0.000 0.444 296 T N 1.223 115.818 114.554 0.069 0.000 2.900 296 T HA 0.672 5.022 4.350 0.000 0.000 0.307 296 T C 0.271 175.025 174.700 0.091 0.000 1.065 296 T CA 0.140 62.352 62.100 0.185 0.000 1.105 296 T CB 1.499 70.487 68.868 0.200 0.000 0.979 296 T HN 0.777 nan 8.240 nan 0.000 0.544 297 A N 2.616 125.488 122.820 0.087 0.000 2.544 297 A HA 0.707 5.027 4.320 0.000 0.000 0.291 297 A C -3.160 174.442 177.584 0.031 0.000 1.055 297 A CA -1.662 50.393 52.037 0.031 0.000 0.651 297 A CB 0.123 19.135 19.000 0.020 0.000 1.296 297 A HN 0.656 nan 8.150 nan 0.000 0.431 298 P HA 0.250 nan 4.420 nan 0.000 0.268 298 P C -0.307 177.028 177.300 0.059 0.000 1.208 298 P CA 0.379 63.500 63.100 0.035 0.000 0.777 298 P CB 0.154 31.864 31.700 0.017 0.000 0.875 299 H N 4.095 123.161 119.070 -0.007 0.000 3.016 299 H HA -0.003 4.553 4.556 0.000 0.000 0.345 299 H C -1.205 174.119 175.328 -0.006 0.000 1.066 299 H CA -0.586 55.456 56.048 -0.011 0.000 1.390 299 H CB 0.220 29.976 29.762 -0.009 0.000 1.344 299 H HN 0.324 nan 8.280 nan 0.000 0.605 300 P HA 0.119 nan 4.420 nan 0.000 0.255 300 P C -0.333 176.743 177.300 -0.373 0.000 1.301 300 P CA 0.237 62.736 63.100 -1.002 0.000 0.817 300 P CB -0.062 31.217 31.700 -0.702 0.000 1.259 301 A N 0.529 123.251 122.820 -0.163 0.000 2.262 301 A HA 0.225 4.545 4.320 0.000 0.000 0.273 301 A C -0.196 177.397 177.584 0.014 0.000 1.202 301 A CA -0.516 51.498 52.037 -0.039 0.000 0.811 301 A CB -0.608 18.394 19.000 0.004 0.000 1.159 301 A HN 0.173 nan 8.150 nan 0.000 0.505 302 F N 1.788 121.695 119.950 -0.071 0.000 2.571 302 F HA 0.291 4.818 4.527 0.000 0.000 0.384 302 F C -1.657 174.121 175.800 -0.037 0.000 1.058 302 F CA -1.618 56.330 58.000 -0.088 0.000 1.200 302 F CB 0.599 39.511 39.000 -0.146 0.000 1.077 302 F HN 0.250 nan 8.300 nan 0.000 0.558 303 P HA -0.020 nan 4.420 nan 0.000 0.276 303 P C 0.336 177.596 177.300 -0.067 0.000 1.235 303 P CA -0.047 62.943 63.100 -0.183 0.000 0.772 303 P CB 1.537 33.111 31.700 -0.209 0.000 0.871 304 T N 2.264 116.885 114.554 0.112 0.000 2.881 304 T HA -0.152 4.198 4.350 0.000 0.000 0.270 304 T C 1.715 176.519 174.700 0.173 0.000 1.068 304 T CA 1.656 63.882 62.100 0.211 0.000 1.131 304 T CB -0.584 68.439 68.868 0.259 0.000 0.871 304 T HN 0.445 nan 8.240 nan 0.000 0.479 305 A N 0.540 123.417 122.820 0.095 0.000 2.216 305 A HA 0.165 4.485 4.320 0.000 0.000 0.214 305 A C 2.091 179.705 177.584 0.051 0.000 1.160 305 A CA 0.906 52.978 52.037 0.058 0.000 0.725 305 A CB -0.342 18.674 19.000 0.026 0.000 0.784 305 A HN 0.522 nan 8.150 nan 0.000 0.472 306 M N -1.329 118.292 119.600 0.035 0.000 2.337 306 M HA 0.066 4.546 4.480 0.000 0.000 0.256 306 M C 1.873 178.417 176.300 0.407 0.000 1.075 306 M CA 0.352 55.722 55.300 0.117 0.000 1.024 306 M CB -0.155 32.340 32.600 -0.176 0.000 1.429 306 M HN 0.594 nan 8.290 nan 0.000 0.497 307 Q N 1.203 121.259 119.800 0.427 0.000 2.077 307 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 307 Q C 1.763 177.946 176.000 0.305 0.000 0.989 307 Q CA 2.335 58.419 55.803 0.468 0.000 0.853 307 Q CB 0.002 28.975 28.738 0.391 0.000 0.907 307 Q HN 0.469 nan 8.270 nan 0.000 0.418 308 A N 0.581 123.442 122.820 0.068 0.000 1.883 308 A HA -0.261 4.059 4.320 0.000 0.000 0.217 308 A C 2.020 179.550 177.584 -0.089 0.000 1.186 308 A CA 1.879 53.700 52.037 -0.359 0.000 0.624 308 A CB -0.621 17.993 19.000 -0.643 0.000 0.822 308 A HN 0.498 nan 8.150 nan 0.000 0.444 309 Q N -1.170 118.658 119.800 0.046 0.000 2.096 309 Q HA -0.118 4.222 4.340 0.000 0.000 0.204 309 Q C 1.644 177.697 176.000 0.088 0.000 0.982 309 Q CA 1.776 57.614 55.803 0.058 0.000 0.850 309 Q CB -0.481 28.313 28.738 0.093 0.000 0.901 309 Q HN 0.690 nan 8.270 nan 0.000 0.422 310 F N -0.065 119.963 119.950 0.131 0.000 2.407 310 F HA -0.078 4.450 4.527 0.000 0.000 0.299 310 F C 2.081 177.922 175.800 0.068 0.000 1.097 310 F CA 1.025 59.100 58.000 0.124 0.000 1.422 310 F CB -0.208 38.901 39.000 0.181 0.000 1.067 310 F HN 0.021 nan 8.300 nan 0.000 0.539 311 T N 0.446 115.143 114.554 0.238 0.000 2.777 311 T HA -0.181 4.169 4.350 0.000 0.000 0.266 311 T C 2.028 176.785 174.700 0.095 0.000 1.040 311 T CA 1.245 63.451 62.100 0.177 0.000 1.141 311 T CB -0.507 68.565 68.868 0.341 0.000 0.868 311 T HN 0.141 nan 8.240 nan 0.000 0.444 312 L N 1.459 122.729 121.223 0.077 0.000 1.989 312 L HA 0.015 4.355 4.340 0.000 0.000 0.211 312 L C 2.257 179.116 176.870 -0.019 0.000 1.071 312 L CA 1.586 56.440 54.840 0.022 0.000 0.749 312 L CB -1.022 41.032 42.059 -0.008 0.000 0.890 312 L HN 0.264 nan 8.230 nan 0.000 0.431 313 L N -0.309 120.874 121.223 -0.067 0.000 2.021 313 L HA -0.316 4.024 4.340 0.000 0.000 0.215 313 L C 2.278 179.123 176.870 -0.041 0.000 1.074 313 L CA 2.036 56.812 54.840 -0.107 0.000 0.760 313 L CB -0.570 41.326 42.059 -0.271 0.000 0.889 313 L HN 0.435 nan 8.230 nan 0.000 0.433 314 N N -0.099 118.599 118.700 -0.004 0.000 2.166 314 N HA -0.150 4.590 4.740 0.000 0.000 0.186 314 N C 1.823 177.332 175.510 -0.002 0.000 1.019 314 N CA 1.377 54.430 53.050 0.005 0.000 0.856 314 N CB -0.386 38.105 38.487 0.007 0.000 0.993 314 N HN 0.379 nan 8.380 nan 0.000 0.426 315 L N 0.486 121.707 121.223 -0.003 0.000 2.353 315 L HA -0.060 4.280 4.340 0.000 0.000 0.220 315 L C 1.332 178.212 176.870 0.017 0.000 1.133 315 L CA 0.628 55.470 54.840 0.003 0.000 0.798 315 L CB -0.082 41.973 42.059 -0.006 0.000 0.922 315 L HN 0.093 nan 8.230 nan 0.000 0.445 316 V N -4.845 115.073 119.914 0.007 0.000 3.159 316 V HA 0.556 4.676 4.120 0.000 0.000 0.333 316 V C 0.579 176.680 176.094 0.011 0.000 1.424 316 V CA -0.277 62.030 62.300 0.011 0.000 1.125 316 V CB -0.164 31.658 31.823 -0.002 0.000 1.075 316 V HN 0.091 nan 8.190 nan 0.000 0.482 317 A N 0.582 123.410 122.820 0.013 0.000 2.256 317 A HA 0.798 5.118 4.320 0.000 0.000 0.318 317 A C -0.123 177.477 177.584 0.025 0.000 1.103 317 A CA -0.534 51.511 52.037 0.014 0.000 0.860 317 A CB 1.166 20.173 19.000 0.011 0.000 1.182 317 A HN 0.454 nan 8.150 nan 0.000 0.501 318 E N -0.102 120.113 120.200 0.025 0.000 2.152 318 E HA 0.488 4.838 4.350 0.000 0.000 0.285 318 E C 0.409 177.027 176.600 0.029 0.000 1.043 318 E CA 1.273 57.689 56.400 0.027 0.000 0.839 318 E CB -0.018 29.697 29.700 0.024 0.000 1.069 318 E HN 1.660 nan 8.360 nan 0.000 0.399 319 G N 2.762 111.584 108.800 0.036 0.000 2.434 319 G HA2 -0.115 3.846 3.960 0.000 0.000 0.671 319 G HA3 -0.115 3.846 3.960 0.000 0.000 0.671 319 G C -0.731 174.198 174.900 0.048 0.000 1.280 319 G CA -0.492 44.632 45.100 0.039 0.000 0.975 319 G HN 0.511 nan 8.290 nan 0.000 0.510 320 T N 1.250 115.831 114.554 0.045 0.000 2.753 320 T HA 0.626 4.976 4.350 0.000 0.000 0.297 320 T C 0.714 175.398 174.700 -0.026 0.000 0.981 320 T CA 0.560 62.674 62.100 0.023 0.000 0.956 320 T CB 1.078 69.989 68.868 0.071 0.000 0.936 320 T HN 1.384 nan 8.240 nan 0.000 0.463 321 G N 1.869 110.632 108.800 -0.063 0.000 2.371 321 G HA2 0.597 4.557 3.960 0.000 0.000 0.326 321 G HA3 0.597 4.557 3.960 0.000 0.000 0.326 321 G C -0.943 173.902 174.900 -0.091 0.000 1.127 321 G CA -0.467 44.601 45.100 -0.054 0.000 0.885 321 G HN 0.623 nan 8.290 nan 0.000 0.477 322 V N 2.922 122.794 119.914 -0.071 0.000 2.487 322 V HA 0.444 4.564 4.120 0.000 0.000 0.298 322 V C -0.259 175.794 176.094 -0.069 0.000 1.028 322 V CA -0.544 61.709 62.300 -0.079 0.000 0.860 322 V CB 1.455 33.244 31.823 -0.057 0.000 0.991 322 V HN 0.623 nan 8.190 nan 0.000 0.427 323 I N 3.612 124.144 120.570 -0.063 0.000 2.406 323 I HA 0.495 4.665 4.170 0.000 0.000 0.290 323 I C -0.178 175.990 176.117 0.085 0.000 0.999 323 I CA -0.184 61.103 61.300 -0.022 0.000 1.124 323 I CB 2.226 40.234 38.000 0.012 0.000 1.289 323 I HN 0.511 nan 8.210 nan 0.000 0.441 324 T N 4.201 118.800 114.554 0.076 0.000 2.791 324 T HA 0.263 4.613 4.350 0.000 0.000 0.288 324 T C -0.449 174.324 174.700 0.121 0.000 0.999 324 T CA -0.500 61.679 62.100 0.132 0.000 0.952 324 T CB 1.391 70.292 68.868 0.056 0.000 0.938 324 T HN 0.440 nan 8.240 nan 0.000 0.444 325 E N 2.115 122.403 120.200 0.146 0.000 2.146 325 E HA 0.372 4.722 4.350 0.000 0.000 0.282 325 E C 0.898 177.484 176.600 -0.024 0.000 0.989 325 E CA -0.523 55.899 56.400 0.037 0.000 0.799 325 E CB 0.749 30.372 29.700 -0.128 0.000 1.088 325 E HN 0.654 nan 8.360 nan 0.000 0.397 326 T N 2.085 116.627 114.554 -0.019 0.000 3.044 326 T HA 0.194 4.544 4.350 0.000 0.000 0.260 326 T C 1.096 175.727 174.700 -0.114 0.000 1.019 326 T CA -0.176 61.892 62.100 -0.054 0.000 0.921 326 T CB -0.005 68.841 68.868 -0.036 0.000 1.053 326 T HN 0.399 nan 8.240 nan 0.000 0.533 327 I N -0.142 120.335 120.570 -0.155 0.000 2.729 327 I HA 0.405 4.575 4.170 0.000 0.000 0.256 327 I C 0.146 175.896 176.117 -0.611 0.000 1.115 327 I CA 0.018 61.084 61.300 -0.389 0.000 1.446 327 I CB -0.606 37.135 38.000 -0.432 0.000 1.176 327 I HN 0.205 nan 8.210 nan 0.000 0.446 328 F N 2.108 122.020 119.950 -0.063 0.000 2.495 328 F HA 0.248 4.775 4.527 0.000 0.000 0.327 328 F C 1.588 177.310 175.800 -0.131 0.000 1.103 328 F CA -0.788 57.165 58.000 -0.080 0.000 0.949 328 F CB 1.306 40.265 39.000 -0.067 0.000 1.142 328 F HN -0.004 nan 8.300 nan 0.000 0.457 329 E N 0.962 121.206 120.200 0.073 0.000 2.418 329 E HA -0.181 4.169 4.350 0.000 0.000 0.197 329 E C -0.139 176.423 176.600 -0.063 0.000 1.026 329 E CA 0.970 57.358 56.400 -0.021 0.000 0.862 329 E CB -0.003 29.696 29.700 -0.002 0.000 0.799 329 E HN 0.716 nan 8.360 nan 0.000 0.518 330 N N 0.295 118.969 118.700 -0.043 0.000 2.664 330 N HA 0.098 4.838 4.740 0.000 0.000 0.287 330 N C -0.575 174.894 175.510 -0.068 0.000 1.869 330 N CA -0.203 52.809 53.050 -0.064 0.000 0.832 330 N CB 0.494 38.971 38.487 -0.016 0.000 1.293 330 N HN -0.060 nan 8.380 nan 0.000 0.498 331 R N 0.933 121.335 120.500 -0.164 0.000 3.039 331 R HA 0.256 4.596 4.340 0.000 0.000 0.336 331 R C -0.532 175.857 176.300 0.150 0.000 1.258 331 R CA -0.127 55.950 56.100 -0.037 0.000 1.125 331 R CB -0.140 30.162 30.300 0.004 0.000 1.427 331 R HN 0.295 nan 8.270 nan 0.000 0.588 332 F N -0.388 119.608 119.950 0.077 0.000 2.775 332 F HA 0.156 4.683 4.527 0.000 0.000 0.313 332 F C 1.268 176.939 175.800 -0.215 0.000 1.121 332 F CA -0.499 57.436 58.000 -0.107 0.000 1.206 332 F CB 0.691 39.631 39.000 -0.100 0.000 1.052 332 F HN 0.094 nan 8.300 nan 0.000 0.524 333 M N 0.221 119.909 119.600 0.145 0.000 2.446 333 M HA -0.183 4.297 4.480 0.000 0.000 0.263 333 M C 2.333 178.656 176.300 0.038 0.000 1.066 333 M CA 1.305 56.645 55.300 0.066 0.000 1.087 333 M CB -0.536 32.097 32.600 0.055 0.000 1.406 333 M HN 0.311 nan 8.290 nan 0.000 0.459 334 H N -1.317 117.778 119.070 0.042 0.000 2.470 334 H HA 0.073 4.629 4.556 0.000 0.000 0.289 334 H C 2.049 177.378 175.328 0.000 0.000 1.033 334 H CA 0.894 56.947 56.048 0.009 0.000 1.331 334 H CB -1.150 28.621 29.762 0.014 0.000 1.414 334 H HN 0.212 nan 8.280 nan 0.000 0.545 335 V N 2.514 122.143 119.914 -0.476 0.000 2.252 335 V HA -0.191 3.930 4.120 0.000 0.000 0.249 335 V C -0.254 175.754 176.094 -0.144 0.000 1.056 335 V CA 2.388 64.499 62.300 -0.314 0.000 1.022 335 V CB -1.404 30.187 31.823 -0.386 0.000 0.641 335 V HN 0.402 nan 8.190 nan 0.000 0.445 336 P HA -0.119 nan 4.420 nan 0.000 0.218 336 P C 1.574 178.847 177.300 -0.045 0.000 1.148 336 P CA 1.167 64.231 63.100 -0.060 0.000 0.822 336 P CB -0.014 31.664 31.700 -0.037 0.000 0.784 337 E N -0.422 119.759 120.200 -0.032 0.000 2.047 337 E HA -0.076 4.274 4.350 0.000 0.000 0.191 337 E C 2.123 178.711 176.600 -0.021 0.000 0.987 337 E CA 0.971 57.361 56.400 -0.016 0.000 0.799 337 E CB -0.972 28.730 29.700 0.003 0.000 0.752 337 E HN 0.313 nan 8.360 nan 0.000 0.449 338 L N 0.570 121.780 121.223 -0.021 0.000 2.141 338 L HA -0.097 4.243 4.340 0.000 0.000 0.209 338 L C 2.486 179.319 176.870 -0.062 0.000 1.094 338 L CA 0.607 55.430 54.840 -0.028 0.000 0.763 338 L CB -0.347 41.706 42.059 -0.010 0.000 0.908 338 L HN 0.073 nan 8.230 nan 0.000 0.437 339 I N -0.466 120.058 120.570 -0.077 0.000 2.361 339 I HA -0.274 3.896 4.170 0.000 0.000 0.251 339 I C 2.625 178.687 176.117 -0.093 0.000 1.133 339 I CA 1.109 62.346 61.300 -0.105 0.000 1.413 339 I CB -0.251 37.696 38.000 -0.088 0.000 1.073 339 I HN 0.210 nan 8.210 nan 0.000 0.424 340 R N 0.237 120.701 120.500 -0.059 0.000 2.152 340 R HA -0.063 4.277 4.340 0.000 0.000 0.232 340 R C 1.840 178.112 176.300 -0.045 0.000 1.117 340 R CA 1.089 57.163 56.100 -0.044 0.000 0.981 340 R CB -0.114 30.170 30.300 -0.026 0.000 0.870 340 R HN 0.356 nan 8.270 nan 0.000 0.451 341 M N -0.719 118.851 119.600 -0.050 0.000 2.568 341 M HA 0.146 4.627 4.480 0.000 0.000 0.226 341 M C 0.656 176.918 176.300 -0.065 0.000 1.148 341 M CA 0.436 55.709 55.300 -0.044 0.000 1.007 341 M CB 1.184 33.765 32.600 -0.031 0.000 1.651 341 M HN 0.417 nan 8.290 nan 0.000 0.488 342 G N 0.310 109.046 108.800 -0.108 0.000 2.176 342 G HA2 -0.191 3.770 3.960 0.000 0.000 0.232 342 G HA3 -0.191 3.770 3.960 0.000 0.000 0.232 342 G C 0.216 174.928 174.900 -0.313 0.000 0.986 342 G CA -0.037 44.961 45.100 -0.169 0.000 0.643 342 G HN 0.654 nan 8.290 nan 0.000 0.522 343 A N 0.333 123.005 122.820 -0.245 0.000 2.346 343 A HA 0.654 4.974 4.320 0.000 0.000 0.252 343 A C 0.150 177.476 177.584 -0.430 0.000 1.089 343 A CA 0.001 51.900 52.037 -0.230 0.000 0.797 343 A CB 0.297 19.236 19.000 -0.102 0.000 1.047 343 A HN 0.542 nan 8.150 nan 0.000 0.494 344 H N -0.260 118.827 119.070 0.029 0.000 2.727 344 H HA 0.650 5.206 4.556 0.000 0.000 0.330 344 H C -0.275 175.100 175.328 0.079 0.000 0.986 344 H CA 0.427 56.517 56.048 0.070 0.000 1.251 344 H CB 1.482 31.308 29.762 0.106 0.000 1.493 344 H HN 0.968 nan 8.280 nan 0.000 0.515 345 A N 2.878 125.777 122.820 0.131 0.000 2.608 345 A HA 0.575 4.895 4.320 0.000 0.000 0.292 345 A C -1.330 176.254 177.584 -0.000 0.000 1.066 345 A CA -0.846 51.193 52.037 0.004 0.000 0.676 345 A CB 1.904 20.833 19.000 -0.118 0.000 1.277 345 A HN 0.554 nan 8.150 nan 0.000 0.413 346 E N 0.126 120.295 120.200 -0.050 0.000 2.293 346 E HA 0.663 5.013 4.350 0.000 0.000 0.270 346 E C -1.243 175.299 176.600 -0.097 0.000 0.879 346 E CA -0.258 56.122 56.400 -0.033 0.000 0.756 346 E CB 2.218 31.936 29.700 0.030 0.000 1.208 346 E HN 0.528 nan 8.360 nan 0.000 0.428 347 I N 2.270 122.796 120.570 -0.074 0.000 2.339 347 I HA 0.307 4.477 4.170 0.000 0.000 0.290 347 I C -0.422 175.703 176.117 0.014 0.000 0.994 347 I CA -0.633 60.628 61.300 -0.066 0.000 1.191 347 I CB 1.137 39.125 38.000 -0.020 0.000 1.343 347 I HN 0.238 nan 8.210 nan 0.000 0.458 348 E N 5.202 125.424 120.200 0.037 0.000 2.235 348 E HA 0.332 4.682 4.350 0.000 0.000 0.252 348 E C -0.014 176.638 176.600 0.087 0.000 0.886 348 E CA -0.087 56.344 56.400 0.051 0.000 0.767 348 E CB 1.750 31.468 29.700 0.030 0.000 1.205 348 E HN 0.733 nan 8.360 nan 0.000 0.421 349 S N 3.818 119.571 115.700 0.088 0.000 4.116 349 S HA -0.288 4.182 4.470 0.000 0.000 0.623 349 S C 0.641 175.330 174.600 0.148 0.000 1.933 349 S CA 1.760 60.012 58.200 0.087 0.000 4.224 349 S CB -1.055 62.180 63.200 0.058 0.000 0.208 349 S HN 0.738 nan 8.310 nan 0.000 0.527 350 N N 2.243 121.019 118.700 0.127 0.000 2.320 350 N HA 0.235 4.975 4.740 0.000 0.000 0.237 350 N C -0.132 175.577 175.510 0.332 0.000 1.129 350 N CA 0.845 53.980 53.050 0.141 0.000 0.854 350 N CB 0.190 38.682 38.487 0.008 0.000 1.083 350 N HN 0.882 nan 8.380 nan 0.000 0.504 351 T N -1.957 112.830 114.554 0.388 0.000 2.933 351 T HA 0.505 4.856 4.350 0.000 0.000 0.305 351 T C -0.943 173.764 174.700 0.013 0.000 1.092 351 T CA -0.666 61.596 62.100 0.270 0.000 1.008 351 T CB 1.658 70.590 68.868 0.107 0.000 1.102 351 T HN -0.022 nan 8.240 nan 0.000 0.469 352 V N 3.214 122.974 119.914 -0.256 0.000 2.398 352 V HA 0.596 4.716 4.120 0.000 0.000 0.286 352 V C -0.071 175.871 176.094 -0.253 0.000 1.026 352 V CA -1.144 60.901 62.300 -0.424 0.000 0.868 352 V CB 1.066 32.461 31.823 -0.713 0.000 0.982 352 V HN 0.810 nan 8.190 nan 0.000 0.443 353 I N 3.413 123.847 120.570 -0.226 0.000 2.301 353 I HA 0.331 4.501 4.170 0.000 0.000 0.292 353 I C 0.153 176.014 176.117 -0.427 0.000 1.046 353 I CA 0.012 61.155 61.300 -0.262 0.000 1.282 353 I CB 0.703 38.591 38.000 -0.187 0.000 1.409 353 I HN 0.653 nan 8.210 nan 0.000 0.484 354 C N 6.324 125.379 119.300 -0.408 0.000 2.341 354 C HA 0.431 4.891 4.460 0.000 0.000 0.338 354 C C 0.385 175.094 174.990 -0.467 0.000 1.257 354 C CA -0.528 58.270 59.018 -0.365 0.000 1.883 354 C CB 0.336 27.974 27.740 -0.170 0.000 2.334 354 C HN 0.609 nan 8.230 nan 0.000 0.524 355 H N 1.517 120.601 119.070 0.023 0.000 2.645 355 H HA 0.278 4.834 4.556 0.000 0.000 0.257 355 H C 0.627 175.989 175.328 0.057 0.000 1.269 355 H CA -0.064 56.002 56.048 0.031 0.000 1.409 355 H CB 0.770 30.549 29.762 0.029 0.000 1.434 355 H HN 0.949 nan 8.280 nan 0.000 0.505 356 G N 1.750 110.614 108.800 0.107 0.000 2.368 356 G HA2 0.243 4.203 3.960 0.000 0.000 0.233 356 G HA3 0.243 4.203 3.960 0.000 0.000 0.233 356 G C 0.499 175.462 174.900 0.105 0.000 1.267 356 G CA 0.051 45.201 45.100 0.084 0.000 0.873 356 G HN 0.428 nan 8.290 nan 0.000 0.539 357 V N -0.016 119.957 119.914 0.099 0.000 3.046 357 V HA 0.667 4.787 4.120 0.000 0.000 0.316 357 V C 1.091 177.221 176.094 0.059 0.000 1.104 357 V CA -0.513 61.848 62.300 0.103 0.000 1.006 357 V CB 1.892 33.810 31.823 0.159 0.000 1.058 357 V HN 0.706 nan 8.190 nan 0.000 0.440 358 E N 1.934 122.164 120.200 0.050 0.000 2.005 358 E HA -0.035 4.315 4.350 0.000 0.000 0.198 358 E C 0.497 177.112 176.600 0.026 0.000 1.010 358 E CA 1.900 58.319 56.400 0.032 0.000 0.825 358 E CB 0.034 29.750 29.700 0.028 0.000 0.769 358 E HN 0.777 nan 8.360 nan 0.000 0.456 359 K N -0.474 119.942 120.400 0.026 0.000 2.385 359 K HA 0.449 4.770 4.320 0.000 0.000 0.248 359 K C -0.847 175.761 176.600 0.013 0.000 0.955 359 K CA -0.739 55.558 56.287 0.016 0.000 0.816 359 K CB 2.043 34.550 32.500 0.013 0.000 1.250 359 K HN 0.042 nan 8.250 nan 0.000 0.434 360 L N 0.894 122.118 121.223 0.002 0.000 2.375 360 L HA 0.412 4.752 4.340 0.000 0.000 0.268 360 L C -0.188 176.678 176.870 -0.007 0.000 1.058 360 L CA -0.689 54.147 54.840 -0.008 0.000 0.803 360 L CB 1.898 43.949 42.059 -0.013 0.000 1.212 360 L HN 0.568 nan 8.230 nan 0.000 0.451 361 S N 0.124 115.817 115.700 -0.012 0.000 2.451 361 S HA 0.476 4.946 4.470 0.000 0.000 0.301 361 S C 0.211 174.806 174.600 -0.009 0.000 1.116 361 S CA -0.706 57.489 58.200 -0.008 0.000 1.093 361 S CB 1.653 64.848 63.200 -0.008 0.000 1.017 361 S HN 0.771 nan 8.310 nan 0.000 0.482 362 G N 1.480 110.278 108.800 -0.004 0.000 2.491 362 G HA2 0.511 4.471 3.960 0.000 0.000 0.238 362 G HA3 0.511 4.471 3.960 0.000 0.000 0.238 362 G C -0.197 174.702 174.900 -0.002 0.000 1.277 362 G CA 0.156 45.254 45.100 -0.002 0.000 0.851 362 G HN 1.036 nan 8.290 nan 0.000 0.573 363 A N 1.538 124.358 122.820 0.000 0.000 2.540 363 A HA 0.647 4.967 4.320 0.000 0.000 0.291 363 A C -0.707 176.880 177.584 0.005 0.000 1.083 363 A CA -0.779 51.258 52.037 0.000 0.000 0.650 363 A CB 0.757 19.754 19.000 -0.006 0.000 1.292 363 A HN 0.649 nan 8.150 nan 0.000 0.435 364 Q N 0.554 120.357 119.800 0.006 0.000 2.314 364 Q HA 0.493 4.833 4.340 0.000 0.000 0.257 364 Q C -0.113 175.891 176.000 0.006 0.000 0.975 364 Q CA -0.469 55.339 55.803 0.009 0.000 0.933 364 Q CB 1.307 30.052 28.738 0.011 0.000 1.195 364 Q HN 0.920 nan 8.270 nan 0.000 0.426 365 V N -0.129 119.788 119.914 0.006 0.000 3.113 365 V HA 0.703 4.824 4.120 0.000 0.000 0.316 365 V C -0.675 175.418 176.094 -0.001 0.000 1.125 365 V CA -1.301 60.999 62.300 0.001 0.000 1.026 365 V CB 2.228 34.050 31.823 -0.001 0.000 1.080 365 V HN 0.825 nan 8.190 nan 0.000 0.444 366 M N 2.629 122.226 119.600 -0.005 0.000 2.190 366 M HA 0.794 5.274 4.480 0.000 0.000 0.312 366 M C -0.104 176.178 176.300 -0.031 0.000 0.990 366 M CA -0.615 54.679 55.300 -0.010 0.000 0.927 366 M CB 1.477 34.079 32.600 0.003 0.000 1.571 366 M HN 1.215 nan 8.290 nan 0.000 0.427 367 A N 2.846 125.633 122.820 -0.054 0.000 2.477 367 A HA 0.433 4.754 4.320 0.000 0.000 0.246 367 A C 0.828 178.312 177.584 -0.167 0.000 1.078 367 A CA 0.241 52.212 52.037 -0.110 0.000 0.770 367 A CB -0.019 18.907 19.000 -0.123 0.000 1.011 367 A HN 0.959 nan 8.150 nan 0.000 0.494 368 T N -1.648 112.729 114.554 -0.295 0.000 2.959 368 T HA 0.369 4.719 4.350 0.000 0.000 0.254 368 T C -0.011 174.268 174.700 -0.702 0.000 1.003 368 T CA 0.639 62.532 62.100 -0.345 0.000 0.950 368 T CB -0.393 68.394 68.868 -0.135 0.000 1.090 368 T HN 0.879 nan 8.240 nan 0.000 0.503 369 D N -0.791 119.150 120.400 -0.764 0.000 2.692 369 D HA 0.380 5.020 4.640 0.000 0.000 0.290 369 D C 0.680 176.757 176.300 -0.371 0.000 1.281 369 D CA -0.929 52.696 54.000 -0.625 0.000 0.804 369 D CB 0.666 41.294 40.800 -0.287 0.000 1.331 369 D HN -0.104 nan 8.370 nan 0.000 0.432 370 L N 0.503 121.637 121.223 -0.148 0.000 1.963 370 L HA -0.112 4.228 4.340 0.000 0.000 0.220 370 L C 1.977 178.861 176.870 0.023 0.000 1.076 370 L CA 1.920 56.760 54.840 -0.000 0.000 0.772 370 L CB -0.661 41.424 42.059 0.043 0.000 0.892 370 L HN 0.487 nan 8.230 nan 0.000 0.435 371 R N -0.020 120.478 120.500 -0.002 0.000 2.115 371 R HA 0.052 4.392 4.340 0.000 0.000 0.230 371 R C 2.183 178.426 176.300 -0.095 0.000 1.111 371 R CA 1.188 57.291 56.100 0.005 0.000 0.976 371 R CB -1.497 28.800 30.300 -0.006 0.000 0.870 371 R HN 0.580 nan 8.270 nan 0.000 0.445 372 A N 1.448 124.187 122.820 -0.135 0.000 1.898 372 A HA -0.182 4.138 4.320 0.000 0.000 0.216 372 A C 2.379 179.892 177.584 -0.117 0.000 1.181 372 A CA 1.988 53.940 52.037 -0.141 0.000 0.620 372 A CB -0.623 18.334 19.000 -0.073 0.000 0.819 372 A HN 0.452 nan 8.150 nan 0.000 0.442 373 S N 0.474 116.091 115.700 -0.138 0.000 2.370 373 S HA -0.073 4.397 4.470 0.000 0.000 0.226 373 S C 2.119 176.631 174.600 -0.146 0.000 1.033 373 S CA 1.591 59.710 58.200 -0.136 0.000 1.011 373 S CB -0.831 62.283 63.200 -0.143 0.000 0.852 373 S HN 0.975 nan 8.310 nan 0.000 0.457 374 A N 1.604 124.305 122.820 -0.198 0.000 1.933 374 A HA 0.011 4.332 4.320 0.000 0.000 0.218 374 A C 2.474 179.936 177.584 -0.204 0.000 1.175 374 A CA 1.854 53.700 52.037 -0.318 0.000 0.628 374 A CB -1.215 17.464 19.000 -0.535 0.000 0.814 374 A HN 0.576 nan 8.150 nan 0.000 0.444 375 S N -0.069 115.544 115.700 -0.146 0.000 2.368 375 S HA -0.075 4.395 4.470 0.000 0.000 0.225 375 S C 1.790 176.351 174.600 -0.064 0.000 1.030 375 S CA 1.408 59.545 58.200 -0.104 0.000 0.999 375 S CB -0.426 62.707 63.200 -0.112 0.000 0.844 375 S HN 0.525 nan 8.310 nan 0.000 0.459 376 L N 0.959 122.151 121.223 -0.052 0.000 2.141 376 L HA -0.050 4.290 4.340 0.000 0.000 0.209 376 L C 2.266 179.127 176.870 -0.015 0.000 1.094 376 L CA 0.710 55.536 54.840 -0.022 0.000 0.763 376 L CB -0.615 41.433 42.059 -0.018 0.000 0.908 376 L HN 0.207 nan 8.230 nan 0.000 0.437 377 V N 0.147 120.047 119.914 -0.024 0.000 2.358 377 V HA -0.252 3.868 4.120 0.000 0.000 0.246 377 V C 2.385 178.466 176.094 -0.020 0.000 1.047 377 V CA 1.439 63.749 62.300 0.017 0.000 1.035 377 V CB -0.252 31.607 31.823 0.060 0.000 0.658 377 V HN 0.341 nan 8.190 nan 0.000 0.452 378 L N 0.055 121.241 121.223 -0.060 0.000 2.083 378 L HA -0.147 4.194 4.340 0.000 0.000 0.209 378 L C 2.737 179.586 176.870 -0.036 0.000 1.083 378 L CA 1.452 56.257 54.840 -0.059 0.000 0.752 378 L CB -0.833 41.173 42.059 -0.088 0.000 0.899 378 L HN 0.370 nan 8.230 nan 0.000 0.433 379 A N 0.531 123.333 122.820 -0.030 0.000 1.908 379 A HA -0.150 4.171 4.320 0.000 0.000 0.218 379 A C 2.416 179.992 177.584 -0.012 0.000 1.181 379 A CA 1.801 53.827 52.037 -0.019 0.000 0.627 379 A CB -1.247 17.746 19.000 -0.012 0.000 0.818 379 A HN 0.441 nan 8.150 nan 0.000 0.445 380 G N -1.031 107.765 108.800 -0.006 0.000 2.422 380 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 380 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 380 G C 1.544 176.439 174.900 -0.008 0.000 1.146 380 G CA 1.283 46.382 45.100 -0.001 0.000 0.769 380 G HN 0.529 nan 8.290 nan 0.000 0.547 381 C N 0.729 120.021 119.300 -0.013 0.000 2.425 381 C HA 0.016 4.476 4.460 0.000 0.000 0.277 381 C C 2.640 177.623 174.990 -0.012 0.000 1.280 381 C CA 0.926 59.935 59.018 -0.015 0.000 1.744 381 C CB -0.880 26.851 27.740 -0.016 0.000 1.989 381 C HN 0.662 nan 8.230 nan 0.000 0.491 382 I N -1.135 119.428 120.570 -0.012 0.000 3.968 382 I HA 0.377 4.548 4.170 0.000 0.000 0.328 382 I C 1.049 177.162 176.117 -0.007 0.000 1.290 382 I CA -0.108 61.186 61.300 -0.009 0.000 1.163 382 I CB -0.400 37.593 38.000 -0.012 0.000 1.024 382 I HN 0.073 nan 8.210 nan 0.000 0.413 383 A N 1.694 124.510 122.820 -0.007 0.000 2.346 383 A HA 0.277 4.597 4.320 0.000 0.000 0.252 383 A C -0.033 177.549 177.584 -0.004 0.000 1.089 383 A CA -0.164 51.869 52.037 -0.006 0.000 0.797 383 A CB 0.266 19.262 19.000 -0.006 0.000 1.047 383 A HN 0.392 nan 8.150 nan 0.000 0.494 384 E N 0.027 120.225 120.200 -0.002 0.000 1.996 384 E HA 0.479 4.829 4.350 0.000 0.000 0.280 384 E C 0.591 177.191 176.600 -0.001 0.000 1.092 384 E CA 1.323 57.722 56.400 -0.001 0.000 0.862 384 E CB -0.327 29.374 29.700 0.002 0.000 1.066 384 E HN 1.408 nan 8.360 nan 0.000 0.396 385 G N 2.674 111.474 108.800 -0.002 0.000 2.341 385 G HA2 -0.145 3.815 3.960 0.000 0.000 0.196 385 G HA3 -0.145 3.815 3.960 0.000 0.000 0.196 385 G C -0.614 174.285 174.900 -0.001 0.000 1.231 385 G CA -0.420 44.679 45.100 -0.001 0.000 1.155 385 G HN 0.443 nan 8.290 nan 0.000 0.529 386 T N 1.449 116.004 114.554 0.001 0.000 2.767 386 T HA 0.675 5.025 4.350 0.000 0.000 0.284 386 T C -0.171 174.533 174.700 0.007 0.000 0.973 386 T CA 0.267 62.370 62.100 0.003 0.000 0.996 386 T CB 1.458 70.329 68.868 0.005 0.000 0.927 386 T HN 0.705 nan 8.240 nan 0.000 0.456 387 T N 2.674 117.234 114.554 0.010 0.000 2.829 387 T HA 0.567 4.917 4.350 0.000 0.000 0.280 387 T C -0.533 174.186 174.700 0.031 0.000 0.999 387 T CA -0.549 61.561 62.100 0.016 0.000 0.983 387 T CB 1.357 70.233 68.868 0.014 0.000 0.968 387 T HN 0.320 nan 8.240 nan 0.000 0.446 388 V N 3.580 123.514 119.914 0.033 0.000 2.376 388 V HA 0.362 4.483 4.120 0.000 0.000 0.287 388 V C -0.299 175.822 176.094 0.045 0.000 1.015 388 V CA -0.793 61.536 62.300 0.048 0.000 0.834 388 V CB 1.666 33.512 31.823 0.038 0.000 1.001 388 V HN 0.730 nan 8.190 nan 0.000 0.428 389 V N 3.928 123.881 119.914 0.065 0.000 2.334 389 V HA 0.286 4.406 4.120 0.000 0.000 0.267 389 V C 0.096 176.189 176.094 -0.003 0.000 1.040 389 V CA -0.378 61.939 62.300 0.029 0.000 0.866 389 V CB 1.282 33.126 31.823 0.035 0.000 1.019 389 V HN 0.899 nan 8.190 nan 0.000 0.468 390 D N 3.952 124.346 120.400 -0.009 0.000 2.339 390 D HA 0.323 4.963 4.640 0.000 0.000 0.245 390 D C 0.804 177.073 176.300 -0.051 0.000 1.115 390 D CA -0.103 53.889 54.000 -0.012 0.000 0.917 390 D CB 0.470 41.276 40.800 0.011 0.000 1.192 390 D HN 0.495 nan 8.370 nan 0.000 0.428 391 R N 1.648 122.121 120.500 -0.045 0.000 3.423 391 R HA -0.180 4.160 4.340 0.000 0.000 0.271 391 R C 0.860 176.948 176.300 -0.353 0.000 1.093 391 R CA 0.543 56.567 56.100 -0.127 0.000 0.730 391 R CB -2.153 28.074 30.300 -0.121 0.000 1.190 391 R HN 0.488 nan 8.270 nan 0.000 0.437 392 I N -2.061 118.328 120.570 -0.303 0.000 3.241 392 I HA -0.144 4.026 4.170 0.000 0.000 0.280 392 I C 2.001 177.896 176.117 -0.370 0.000 1.320 392 I CA 0.698 61.732 61.300 -0.444 0.000 1.413 392 I CB -0.968 36.500 38.000 -0.886 0.000 1.060 392 I HN 0.334 nan 8.210 nan 0.000 0.500 393 Y N 0.048 120.219 120.300 -0.214 0.000 2.256 393 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 393 Y C 2.375 178.185 175.900 -0.149 0.000 1.155 393 Y CA 1.459 59.444 58.100 -0.191 0.000 1.203 393 Y CB -1.703 36.630 38.460 -0.212 0.000 0.980 393 Y HN 0.217 nan 8.280 nan 0.000 0.530 394 H N 0.519 119.244 119.070 -0.576 0.000 2.353 394 H HA -0.188 4.368 4.556 0.000 0.000 0.298 394 H C 2.372 177.638 175.328 -0.104 0.000 1.103 394 H CA 2.031 57.887 56.048 -0.319 0.000 1.293 394 H CB -0.377 29.130 29.762 -0.425 0.000 1.372 394 H HN 0.507 nan 8.280 nan 0.000 0.501 395 I N 1.064 121.625 120.570 -0.016 0.000 2.493 395 I HA -0.206 3.964 4.170 0.000 0.000 0.254 395 I C 1.272 177.470 176.117 0.135 0.000 1.160 395 I CA 1.047 62.374 61.300 0.044 0.000 1.445 395 I CB 0.012 37.947 38.000 -0.110 0.000 1.086 395 I HN 0.086 nan 8.210 nan 0.000 0.433 396 D N 0.479 120.924 120.400 0.075 0.000 2.348 396 D HA -0.103 4.537 4.640 0.000 0.000 0.216 396 D C 2.091 178.457 176.300 0.110 0.000 0.970 396 D CA 0.425 54.487 54.000 0.103 0.000 0.889 396 D CB -0.081 40.765 40.800 0.076 0.000 0.912 396 D HN 0.299 nan 8.370 nan 0.000 0.524 397 R N 0.121 120.691 120.500 0.115 0.000 2.073 397 R HA 0.008 4.348 4.340 0.000 0.000 0.229 397 R C 1.953 178.292 176.300 0.065 0.000 1.120 397 R CA 1.158 57.313 56.100 0.092 0.000 0.967 397 R CB -0.510 29.851 30.300 0.102 0.000 0.862 397 R HN 0.193 nan 8.270 nan 0.000 0.436 398 G N -1.555 107.288 108.800 0.071 0.000 3.377 398 G HA2 0.113 4.073 3.960 0.000 0.000 0.257 398 G HA3 0.113 4.073 3.960 0.000 0.000 0.257 398 G C -0.509 174.246 174.900 -0.241 0.000 1.038 398 G CA -0.145 44.909 45.100 -0.078 0.000 0.809 398 G HN 0.091 nan 8.290 nan 0.000 0.526 399 Y N 0.578 120.906 120.300 0.046 0.000 2.326 399 Y HA 0.400 4.950 4.550 0.000 0.000 0.329 399 Y C -0.036 175.919 175.900 0.091 0.000 0.973 399 Y CA -1.303 56.839 58.100 0.069 0.000 1.162 399 Y CB 1.714 40.210 38.460 0.059 0.000 1.147 399 Y HN 0.067 nan 8.280 nan 0.000 0.456 400 E N 4.413 124.738 120.200 0.208 0.000 2.223 400 E HA 0.257 4.607 4.350 0.000 0.000 0.282 400 E C -0.304 176.412 176.600 0.195 0.000 1.046 400 E CA -0.427 56.070 56.400 0.162 0.000 0.857 400 E CB 0.330 30.094 29.700 0.106 0.000 1.055 400 E HN 0.683 nan 8.360 nan 0.000 0.409 401 R N 3.613 124.216 120.500 0.172 0.000 3.158 401 R HA -0.222 4.118 4.340 0.000 0.000 0.244 401 R C 0.958 177.380 176.300 0.204 0.000 0.900 401 R CA 0.490 56.687 56.100 0.161 0.000 0.618 401 R CB -1.822 28.545 30.300 0.111 0.000 1.061 401 R HN 0.763 nan 8.270 nan 0.000 0.471 402 I N 0.166 120.890 120.570 0.256 0.000 2.546 402 I HA -0.210 3.960 4.170 0.000 0.000 0.255 402 I C 2.398 178.626 176.117 0.184 0.000 1.163 402 I CA 1.500 62.965 61.300 0.276 0.000 1.457 402 I CB -0.004 38.103 38.000 0.179 0.000 1.092 402 I HN 0.487 nan 8.210 nan 0.000 0.434 403 E N 0.775 121.057 120.200 0.136 0.000 2.058 403 E HA -0.285 4.065 4.350 0.000 0.000 0.194 403 E C 1.549 178.134 176.600 -0.025 0.000 0.997 403 E CA 1.906 58.279 56.400 -0.045 0.000 0.801 403 E CB 0.051 29.707 29.700 -0.073 0.000 0.746 403 E HN 0.490 nan 8.360 nan 0.000 0.450 404 D N 0.304 120.722 120.400 0.029 0.000 2.103 404 D HA -0.110 4.531 4.640 0.000 0.000 0.199 404 D C 1.874 178.184 176.300 0.016 0.000 0.978 404 D CA 0.989 54.998 54.000 0.015 0.000 0.829 404 D CB -0.121 40.695 40.800 0.027 0.000 0.981 404 D HN 0.169 nan 8.370 nan 0.000 0.464 405 K N 0.351 120.782 120.400 0.052 0.000 2.057 405 K HA -0.058 4.262 4.320 0.000 0.000 0.207 405 K C 2.323 178.941 176.600 0.030 0.000 1.049 405 K CA 0.611 56.899 56.287 0.001 0.000 0.931 405 K CB -0.157 32.346 32.500 0.006 0.000 0.714 405 K HN 0.141 nan 8.250 nan 0.000 0.440 406 L N 0.492 121.796 121.223 0.135 0.000 2.093 406 L HA -0.149 4.191 4.340 0.000 0.000 0.208 406 L C 2.754 179.640 176.870 0.027 0.000 1.085 406 L CA 1.020 55.935 54.840 0.126 0.000 0.755 406 L CB -0.312 41.803 42.059 0.093 0.000 0.904 406 L HN 0.193 nan 8.230 nan 0.000 0.435 407 R N 0.479 120.972 120.500 -0.010 0.000 2.073 407 R HA -0.168 4.172 4.340 0.000 0.000 0.234 407 R C 2.159 178.444 176.300 -0.025 0.000 1.134 407 R CA 1.461 57.542 56.100 -0.032 0.000 0.952 407 R CB -0.260 30.013 30.300 -0.045 0.000 0.850 407 R HN 0.320 nan 8.270 nan 0.000 0.433 408 A N 0.311 123.115 122.820 -0.027 0.000 2.225 408 A HA -0.039 4.281 4.320 0.000 0.000 0.215 408 A C 1.653 179.215 177.584 -0.037 0.000 1.164 408 A CA 0.841 52.856 52.037 -0.036 0.000 0.710 408 A CB -0.184 18.786 19.000 -0.049 0.000 0.780 408 A HN 0.371 nan 8.150 nan 0.000 0.473 409 L N -2.088 119.121 121.223 -0.023 0.000 2.693 409 L HA 0.317 4.657 4.340 0.000 0.000 0.235 409 L C 1.452 178.318 176.870 -0.006 0.000 1.127 409 L CA 0.542 55.373 54.840 -0.014 0.000 0.914 409 L CB 0.370 42.437 42.059 0.013 0.000 1.193 409 L HN 0.498 nan 8.230 nan 0.000 0.502 410 G N 0.027 108.820 108.800 -0.012 0.000 2.168 410 G HA2 -0.192 3.768 3.960 0.000 0.000 0.197 410 G HA3 -0.192 3.768 3.960 0.000 0.000 0.197 410 G C 0.334 175.225 174.900 -0.015 0.000 0.997 410 G CA -0.144 44.948 45.100 -0.013 0.000 0.658 410 G HN 0.395 nan 8.290 nan 0.000 0.513 411 A N 0.030 122.840 122.820 -0.016 0.000 2.371 411 A HA 0.609 4.929 4.320 0.000 0.000 0.257 411 A C 0.498 178.055 177.584 -0.044 0.000 1.089 411 A CA 0.135 52.155 52.037 -0.028 0.000 0.794 411 A CB 0.424 19.406 19.000 -0.029 0.000 1.029 411 A HN 0.487 nan 8.150 nan 0.000 0.488 412 N N 1.919 120.591 118.700 -0.047 0.000 2.817 412 N HA 0.360 5.100 4.740 0.000 0.000 0.234 412 N C -1.327 174.136 175.510 -0.078 0.000 1.066 412 N CA -0.026 52.992 53.050 -0.052 0.000 0.926 412 N CB 0.258 38.724 38.487 -0.036 0.000 1.176 412 N HN 0.668 nan 8.380 nan 0.000 0.506 413 I N 0.881 121.380 120.570 -0.118 0.000 2.730 413 I HA 0.459 4.630 4.170 0.000 0.000 0.298 413 I C -1.246 174.740 176.117 -0.219 0.000 1.089 413 I CA -0.688 60.493 61.300 -0.199 0.000 1.041 413 I CB 2.207 40.023 38.000 -0.307 0.000 1.235 413 I HN 0.354 nan 8.210 nan 0.000 0.423 414 E N 6.964 127.025 120.200 -0.231 0.000 2.321 414 E HA 0.323 4.673 4.350 0.000 0.000 0.278 414 E C -1.581 174.966 176.600 -0.087 0.000 0.902 414 E CA -0.919 55.391 56.400 -0.149 0.000 0.758 414 E CB 1.868 31.535 29.700 -0.056 0.000 1.213 414 E HN 0.635 nan 8.360 nan 0.000 0.426 415 R N 3.715 124.219 120.500 0.007 0.000 2.216 415 R HA 0.290 4.630 4.340 0.000 0.000 0.332 415 R C -0.590 175.811 176.300 0.169 0.000 1.056 415 R CA -0.385 55.882 56.100 0.279 0.000 0.901 415 R CB 0.776 31.308 30.300 0.387 0.000 1.039 415 R HN 0.371 nan 8.270 nan 0.000 0.456 416 V N 3.238 123.253 119.914 0.169 0.000 2.333 416 V HA 0.398 4.518 4.120 0.000 0.000 0.274 416 V C 0.034 176.178 176.094 0.084 0.000 1.028 416 V CA -1.177 61.182 62.300 0.099 0.000 0.851 416 V CB 1.013 32.883 31.823 0.079 0.000 1.000 416 V HN 0.589 nan 8.190 nan 0.000 0.456 417 K N 3.115 123.554 120.400 0.066 0.000 2.159 417 K HA 0.267 4.587 4.320 0.000 0.000 0.242 417 K C 1.169 177.791 176.600 0.038 0.000 1.043 417 K CA 0.550 56.867 56.287 0.051 0.000 0.856 417 K CB -0.028 32.497 32.500 0.041 0.000 1.072 417 K HN 1.602 nan 8.250 nan 0.000 0.514 418 G N 2.623 111.440 108.800 0.028 0.000 2.196 418 G HA2 -0.320 3.640 3.960 0.000 0.000 0.261 418 G HA3 -0.320 3.640 3.960 0.000 0.000 0.261 418 G C 0.245 175.159 174.900 0.024 0.000 0.832 418 G CA 1.410 46.523 45.100 0.021 0.000 1.246 418 G HN 0.710 nan 8.290 nan 0.000 0.383 419 E N 0.000 120.216 120.200 0.027 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.417 56.400 0.029 0.000 0.976 419 E CB 0.000 29.714 29.700 0.023 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440