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 1xet_1_C DATA FIRST_RESID 4 DATA SEQUENCE VDFEGFRKLQ RADGFASILA IGTANPPNAV DQSTYPDFYF RITGNEHNXX DATA SEQUENCE XXXXFKRICE RSAIKQRYMY LTEEILKKNP DVCAFVEVPS LDARQAMLAM DATA SEQUENCE EVPRLAKEAA EKAIQEWGQS KSGITHLIFC STTTPDLPGA DFEVAKLLGL DATA SEQUENCE HPSVKRVGVF QHGCFAGGTV LRMAKDLAEN NRGARVLVIC SETTAVTFRG DATA SEQUENCE PSETHXDSLV GQALFGDGAS ALIVGADPIP QVEKACFEIV WTAQTVVPNS DATA SEQUENCE EGAIGGKVRE VGLTFQLKGA VPDLISANIE NCMVEAFSQF KISDWNKLFW DATA SEQUENCE VVHPGGRAIL DRVEAKLNLD PTKLIPTRHV MSEYGNMSSA CVHFILDQTR DATA SEQUENCE KASLQNGCST TGEGLEMGVL FGFGPGLTIE TVVLKSVPI 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.019 176.094 -0.125 0.000 1.182 4 V CA 0.000 62.193 62.300 -0.179 0.000 1.235 4 V CB 0.000 31.549 31.823 -0.457 0.000 1.184 5 D N 1.148 121.465 120.400 -0.138 0.000 2.453 5 D HA 0.443 5.084 4.640 0.001 0.000 0.223 5 D C 0.474 176.761 176.300 -0.022 0.000 1.183 5 D CA -0.047 53.949 54.000 -0.007 0.000 0.933 5 D CB 0.089 40.894 40.800 0.009 0.000 1.038 5 D HN 0.412 nan 8.370 nan 0.000 0.513 6 F N 2.247 122.233 119.950 0.060 0.000 2.293 6 F HA -0.004 4.524 4.527 0.001 0.000 0.300 6 F C 2.643 178.540 175.800 0.162 0.000 1.086 6 F CA 1.377 59.460 58.000 0.138 0.000 1.375 6 F CB -0.620 38.439 39.000 0.098 0.000 1.045 6 F HN 0.527 nan 8.300 nan 0.000 0.516 7 E N 0.648 121.001 120.200 0.256 0.000 2.017 7 E HA -0.121 4.230 4.350 0.001 0.000 0.193 7 E C 2.531 179.206 176.600 0.125 0.000 0.997 7 E CA 1.297 57.792 56.400 0.159 0.000 0.804 7 E CB -1.735 28.030 29.700 0.109 0.000 0.757 7 E HN 0.382 nan 8.360 nan 0.000 0.448 8 G N -0.867 107.999 108.800 0.110 0.000 2.450 8 G HA2 -0.148 3.812 3.960 0.001 0.000 0.220 8 G HA3 -0.148 3.812 3.960 0.001 0.000 0.220 8 G C 1.583 176.556 174.900 0.122 0.000 1.130 8 G CA 0.919 46.070 45.100 0.085 0.000 0.760 8 G HN 0.493 nan 8.290 nan 0.000 0.557 9 F N 1.046 120.977 119.950 -0.033 0.000 2.102 9 F HA -0.052 4.476 4.527 0.001 0.000 0.298 9 F C 2.850 178.647 175.800 -0.005 0.000 1.105 9 F CA 1.528 59.498 58.000 -0.051 0.000 1.239 9 F CB 0.113 39.038 39.000 -0.125 0.000 0.991 9 F HN 0.117 nan 8.300 nan 0.000 0.474 10 R N 1.458 121.952 120.500 -0.009 0.000 2.083 10 R HA -0.175 4.165 4.340 0.001 0.000 0.237 10 R C 2.422 178.652 176.300 -0.116 0.000 1.137 10 R CA 2.518 58.554 56.100 -0.106 0.000 0.951 10 R CB -0.999 29.312 30.300 0.019 0.000 0.851 10 R HN 0.263 nan 8.270 nan 0.000 0.434 11 K N 0.443 120.814 120.400 -0.049 0.000 2.097 11 K HA -0.049 4.271 4.320 0.001 0.000 0.206 11 K C 1.999 178.558 176.600 -0.068 0.000 1.049 11 K CA 1.572 57.832 56.287 -0.045 0.000 0.933 11 K CB -1.043 31.450 32.500 -0.012 0.000 0.717 11 K HN 0.292 nan 8.250 nan 0.000 0.442 12 L N 0.681 121.857 121.223 -0.078 0.000 2.156 12 L HA 0.016 4.356 4.340 0.001 0.000 0.208 12 L C 2.606 179.394 176.870 -0.137 0.000 1.095 12 L CA 2.226 57.020 54.840 -0.077 0.000 0.770 12 L CB -0.365 41.678 42.059 -0.027 0.000 0.914 12 L HN 0.600 nan 8.230 nan 0.000 0.439 13 Q N 0.361 120.004 119.800 -0.262 0.000 2.084 13 Q HA -0.166 4.175 4.340 0.001 0.000 0.202 13 Q C 0.804 176.707 176.000 -0.162 0.000 0.978 13 Q CA 1.078 56.705 55.803 -0.294 0.000 0.844 13 Q CB -0.030 28.410 28.738 -0.497 0.000 0.898 13 Q HN 0.626 nan 8.270 nan 0.000 0.426 14 R N -0.240 120.179 120.500 -0.135 0.000 2.560 14 R HA 0.561 4.902 4.340 0.001 0.000 0.270 14 R C -0.557 175.698 176.300 -0.075 0.000 1.074 14 R CA -0.021 56.021 56.100 -0.096 0.000 1.140 14 R CB 0.707 30.954 30.300 -0.089 0.000 1.073 14 R HN 0.042 nan 8.270 nan 0.000 0.527 15 A N 0.981 123.760 122.820 -0.068 0.000 2.259 15 A HA 0.179 4.499 4.320 0.001 0.000 0.278 15 A C -0.029 177.514 177.584 -0.068 0.000 1.107 15 A CA -0.593 51.410 52.037 -0.056 0.000 0.828 15 A CB 0.480 19.451 19.000 -0.049 0.000 1.111 15 A HN 0.926 nan 8.150 nan 0.000 0.498 16 D N -0.098 120.267 120.400 -0.059 0.000 2.290 16 D HA 0.132 4.773 4.640 0.001 0.000 0.224 16 D C 1.307 177.541 176.300 -0.111 0.000 0.967 16 D CA 1.477 55.434 54.000 -0.072 0.000 0.893 16 D CB -0.309 40.464 40.800 -0.045 0.000 1.037 16 D HN 0.611 nan 8.370 nan 0.000 0.477 17 G N -0.327 108.423 108.800 -0.084 0.000 2.543 17 G HA2 0.389 4.350 3.960 0.001 0.000 0.267 17 G HA3 0.389 4.350 3.960 0.001 0.000 0.267 17 G C -0.644 174.165 174.900 -0.151 0.000 1.406 17 G CA -0.535 44.501 45.100 -0.106 0.000 1.048 17 G HN -0.081 nan 8.290 nan 0.000 0.548 18 F N 0.722 120.676 119.950 0.007 0.000 2.399 18 F HA 0.495 5.023 4.527 0.001 0.000 0.342 18 F C 1.176 176.974 175.800 -0.002 0.000 1.106 18 F CA -0.188 57.816 58.000 0.007 0.000 1.196 18 F CB 1.188 40.200 39.000 0.019 0.000 1.163 18 F HN 0.454 nan 8.300 nan 0.000 0.547 19 A N 2.638 125.576 122.820 0.196 0.000 2.520 19 A HA 0.449 4.769 4.320 0.001 0.000 0.245 19 A C -0.142 177.501 177.584 0.098 0.000 1.072 19 A CA -0.034 52.055 52.037 0.087 0.000 0.761 19 A CB -0.241 18.782 19.000 0.038 0.000 1.004 19 A HN 0.667 nan 8.150 nan 0.000 0.499 20 S N 1.457 117.191 115.700 0.056 0.000 2.542 20 S HA 0.556 5.026 4.470 0.001 0.000 0.293 20 S C -0.293 174.318 174.600 0.017 0.000 1.089 20 S CA -0.454 57.779 58.200 0.056 0.000 0.961 20 S CB 1.328 64.564 63.200 0.060 0.000 1.062 20 S HN 0.571 nan 8.310 nan 0.000 0.483 21 I N 2.991 123.587 120.570 0.044 0.000 2.379 21 I HA 0.148 4.318 4.170 0.001 0.000 0.290 21 I C 0.448 176.569 176.117 0.007 0.000 1.063 21 I CA -0.045 61.265 61.300 0.017 0.000 1.351 21 I CB 0.409 38.468 38.000 0.098 0.000 1.410 21 I HN 0.578 nan 8.210 nan 0.000 0.505 22 L N 6.509 127.709 121.223 -0.039 0.000 2.585 22 L HA 0.482 4.823 4.340 0.001 0.000 0.226 22 L C 0.657 177.543 176.870 0.027 0.000 1.113 22 L CA 0.025 54.870 54.840 0.009 0.000 0.876 22 L CB -0.105 41.975 42.059 0.036 0.000 1.072 22 L HN 0.716 nan 8.230 nan 0.000 0.468 23 A N 0.585 123.386 122.820 -0.031 0.000 2.590 23 A HA 0.722 5.043 4.320 0.001 0.000 0.296 23 A C -1.470 176.076 177.584 -0.062 0.000 1.050 23 A CA -0.381 51.647 52.037 -0.015 0.000 0.697 23 A CB 1.149 20.169 19.000 0.032 0.000 1.277 23 A HN 0.033 nan 8.150 nan 0.000 0.411 24 I N 1.233 121.770 120.570 -0.055 0.000 2.512 24 I HA 0.614 4.785 4.170 0.001 0.000 0.287 24 I C 0.383 176.429 176.117 -0.118 0.000 1.069 24 I CA -0.508 60.734 61.300 -0.097 0.000 1.056 24 I CB 2.428 40.388 38.000 -0.068 0.000 1.229 24 I HN 0.884 nan 8.210 nan 0.000 0.429 25 G N 2.975 111.683 108.800 -0.154 0.000 2.519 25 G HA2 0.813 4.773 3.960 0.001 0.000 0.307 25 G HA3 0.813 4.773 3.960 0.001 0.000 0.307 25 G C -0.851 173.890 174.900 -0.264 0.000 1.266 25 G CA -0.499 44.502 45.100 -0.166 0.000 0.970 25 G HN 0.568 nan 8.290 nan 0.000 0.481 26 T N -2.377 111.986 114.554 -0.318 0.000 2.864 26 T HA 0.889 5.239 4.350 0.001 0.000 0.299 26 T C -0.494 174.076 174.700 -0.217 0.000 1.166 26 T CA -0.300 61.520 62.100 -0.467 0.000 1.007 26 T CB 2.015 70.162 68.868 -1.202 0.000 1.219 26 T HN 2.009 nan 8.240 nan 0.000 0.506 27 A N 1.315 124.089 122.820 -0.078 0.000 2.612 27 A HA 0.869 5.190 4.320 0.001 0.000 0.293 27 A C -1.541 176.073 177.584 0.049 0.000 1.075 27 A CA -1.089 50.941 52.037 -0.012 0.000 0.680 27 A CB 1.346 20.343 19.000 -0.005 0.000 1.279 27 A HN 0.971 nan 8.150 nan 0.000 0.411 28 N N -0.180 118.494 118.700 -0.044 0.000 2.610 28 N HA 0.697 5.438 4.740 0.001 0.000 0.264 28 N C -3.184 172.314 175.510 -0.019 0.000 1.348 28 N CA -1.207 51.798 53.050 -0.076 0.000 0.819 28 N CB 1.689 39.921 38.487 -0.425 0.000 1.521 28 N HN 0.383 nan 8.380 nan 0.000 0.497 29 P HA 0.110 nan 4.420 nan 0.000 0.269 29 P C -1.694 175.735 177.300 0.215 0.000 1.215 29 P CA -0.850 62.365 63.100 0.191 0.000 0.780 29 P CB 0.404 32.264 31.700 0.265 0.000 0.898 30 P HA -0.154 nan 4.420 nan 0.000 0.221 30 P C 0.130 177.566 177.300 0.228 0.000 1.150 30 P CA 1.122 64.330 63.100 0.181 0.000 0.800 30 P CB 0.009 31.779 31.700 0.116 0.000 0.787 31 N N 0.678 119.493 118.700 0.192 0.000 2.400 31 N HA 0.225 4.965 4.740 0.001 0.000 0.267 31 N C -0.521 175.044 175.510 0.092 0.000 1.208 31 N CA -0.367 52.751 53.050 0.113 0.000 0.951 31 N CB 0.098 38.616 38.487 0.052 0.000 1.227 31 N HN -0.047 nan 8.380 nan 0.000 0.488 32 A N 3.893 126.706 122.820 -0.012 0.000 2.309 32 A HA 0.343 4.663 4.320 0.001 0.000 0.290 32 A C -0.120 177.321 177.584 -0.239 0.000 1.206 32 A CA -0.491 51.358 52.037 -0.313 0.000 0.850 32 A CB 0.709 19.532 19.000 -0.294 0.000 1.118 32 A HN 0.476 nan 8.150 nan 0.000 0.523 33 V N 3.573 123.322 119.914 -0.274 0.000 2.347 33 V HA 0.178 4.298 4.120 0.001 0.000 0.280 33 V C -0.161 175.834 176.094 -0.166 0.000 1.021 33 V CA -0.630 61.566 62.300 -0.173 0.000 0.847 33 V CB 1.325 33.078 31.823 -0.117 0.000 0.990 33 V HN 0.943 nan 8.190 nan 0.000 0.444 34 D N 3.209 123.549 120.400 -0.101 0.000 2.343 34 D HA 0.129 4.769 4.640 0.001 0.000 0.255 34 D C 0.988 177.288 176.300 0.000 0.000 1.187 34 D CA 0.075 54.034 54.000 -0.069 0.000 0.875 34 D CB 1.599 42.373 40.800 -0.043 0.000 1.136 34 D HN 0.573 nan 8.370 nan 0.000 0.469 35 Q N 2.268 122.046 119.800 -0.037 0.000 2.170 35 Q HA -0.157 4.183 4.340 0.001 0.000 0.203 35 Q C 1.750 177.793 176.000 0.071 0.000 0.976 35 Q CA 1.806 57.610 55.803 0.002 0.000 0.858 35 Q CB -0.112 28.584 28.738 -0.070 0.000 0.907 35 Q HN 0.541 nan 8.270 nan 0.000 0.433 36 S N -1.528 114.194 115.700 0.037 0.000 2.399 36 S HA -0.123 4.348 4.470 0.001 0.000 0.231 36 S C 1.728 176.383 174.600 0.093 0.000 1.022 36 S CA 1.338 59.565 58.200 0.046 0.000 0.983 36 S CB -0.629 62.581 63.200 0.016 0.000 0.803 36 S HN 0.517 nan 8.310 nan 0.000 0.480 37 T N -3.164 111.464 114.554 0.122 0.000 3.092 37 T HA 0.300 4.651 4.350 0.001 0.000 0.258 37 T C 1.041 175.900 174.700 0.266 0.000 1.031 37 T CA -0.464 61.728 62.100 0.154 0.000 0.925 37 T CB -0.573 68.357 68.868 0.102 0.000 1.036 37 T HN 0.424 nan 8.240 nan 0.000 0.544 38 Y N 2.775 123.189 120.300 0.189 0.000 2.220 38 Y HA 0.110 4.660 4.550 0.001 0.000 0.291 38 Y C -0.901 175.301 175.900 0.503 0.000 1.129 38 Y CA 0.751 59.052 58.100 0.334 0.000 1.161 38 Y CB -0.732 37.890 38.460 0.270 0.000 0.997 38 Y HN 0.215 nan 8.280 nan 0.000 0.522 39 P HA -0.194 nan 4.420 nan 0.000 0.215 39 P C 1.041 178.559 177.300 0.363 0.000 1.163 39 P CA 2.382 65.822 63.100 0.566 0.000 0.894 39 P CB 0.001 31.945 31.700 0.407 0.000 0.791 40 D N -1.808 118.735 120.400 0.238 0.000 2.097 40 D HA -0.167 4.473 4.640 0.001 0.000 0.195 40 D C 1.726 178.131 176.300 0.176 0.000 0.989 40 D CA 0.986 55.090 54.000 0.172 0.000 0.827 40 D CB -1.015 39.869 40.800 0.140 0.000 0.966 40 D HN 0.112 nan 8.370 nan 0.000 0.456 41 F N 0.383 120.363 119.950 0.051 0.000 2.102 41 F HA -0.229 4.299 4.527 0.001 0.000 0.298 41 F C 2.322 178.102 175.800 -0.033 0.000 1.105 41 F CA 1.322 59.327 58.000 0.007 0.000 1.239 41 F CB -0.777 38.229 39.000 0.010 0.000 0.991 41 F HN 0.020 nan 8.300 nan 0.000 0.474 42 Y N -0.420 119.657 120.300 -0.372 0.000 2.070 42 Y HA -0.333 4.218 4.550 0.001 0.000 0.280 42 Y C 2.293 177.958 175.900 -0.392 0.000 1.148 42 Y CA 2.210 59.996 58.100 -0.523 0.000 1.125 42 Y CB -0.803 37.265 38.460 -0.653 0.000 0.975 42 Y HN 0.068 nan 8.280 nan 0.000 0.492 43 F N 0.762 120.450 119.950 -0.437 0.000 2.269 43 F HA -0.193 4.334 4.527 0.001 0.000 0.301 43 F C 2.550 178.155 175.800 -0.325 0.000 1.082 43 F CA 1.728 59.461 58.000 -0.445 0.000 1.360 43 F CB -0.205 38.656 39.000 -0.231 0.000 1.041 43 F HN 0.142 nan 8.300 nan 0.000 0.512 44 R N -0.158 120.274 120.500 -0.114 0.000 2.127 44 R HA -0.020 4.320 4.340 0.001 0.000 0.217 44 R C 1.889 178.060 176.300 -0.215 0.000 1.074 44 R CA 1.114 57.143 56.100 -0.120 0.000 0.991 44 R CB -0.768 29.497 30.300 -0.058 0.000 0.895 44 R HN 0.264 nan 8.270 nan 0.000 0.450 45 I N 1.430 121.775 120.570 -0.374 0.000 2.761 45 I HA -0.073 4.098 4.170 0.001 0.000 0.261 45 I C 1.756 177.714 176.117 -0.264 0.000 1.198 45 I CA 1.316 62.394 61.300 -0.369 0.000 1.482 45 I CB 0.153 37.766 38.000 -0.646 0.000 1.100 45 I HN 0.269 nan 8.210 nan 0.000 0.445 46 T N -0.571 113.773 114.554 -0.350 0.000 3.107 46 T HA 0.218 4.569 4.350 0.001 0.000 0.249 46 T C 1.272 175.817 174.700 -0.259 0.000 1.096 46 T CA 0.602 62.495 62.100 -0.345 0.000 1.012 46 T CB -0.576 67.882 68.868 -0.684 0.000 0.977 46 T HN 0.592 nan 8.240 nan 0.000 0.527 47 G N 1.888 110.566 108.800 -0.203 0.000 2.198 47 G HA2 -0.199 3.761 3.960 0.001 0.000 0.257 47 G HA3 -0.199 3.761 3.960 0.001 0.000 0.257 47 G C -0.174 174.666 174.900 -0.101 0.000 1.042 47 G CA -0.070 44.957 45.100 -0.122 0.000 0.791 47 G HN 0.556 nan 8.290 nan 0.000 0.502 48 N N 0.221 118.851 118.700 -0.116 0.000 2.381 48 N HA 0.695 5.435 4.740 0.001 0.000 0.294 48 N C -0.510 175.110 175.510 0.182 0.000 1.216 48 N CA -0.055 52.995 53.050 0.001 0.000 0.803 48 N CB 2.045 40.435 38.487 -0.162 0.000 1.372 48 N HN 0.599 nan 8.380 nan 0.000 0.500 49 E N -0.077 120.296 120.200 0.289 0.000 2.406 49 E HA 0.479 4.829 4.350 0.001 0.000 0.297 49 E C -1.584 175.181 176.600 0.276 0.000 0.917 49 E CA -0.348 56.177 56.400 0.208 0.000 0.795 49 E CB 0.751 30.497 29.700 0.077 0.000 1.285 49 E HN 0.618 nan 8.360 nan 0.000 0.400 50 H N 1.649 120.700 119.070 -0.032 0.000 4.408 50 H HA 0.614 5.170 4.556 0.001 0.000 0.433 50 H C -0.885 174.386 175.328 -0.096 0.000 1.166 50 H CA 0.214 56.240 56.048 -0.037 0.000 0.670 50 H CB 0.476 30.259 29.762 0.035 0.000 1.054 50 H HN 0.720 nan 8.280 nan 0.000 0.780 59 K N 1.339 121.780 120.400 0.068 0.000 2.057 59 K HA 0.023 4.343 4.320 0.001 0.000 0.207 59 K C 1.923 178.467 176.600 -0.093 0.000 1.049 59 K CA 2.358 58.633 56.287 -0.020 0.000 0.931 59 K CB -1.762 30.747 32.500 0.015 0.000 0.714 59 K HN 0.539 nan 8.250 nan 0.000 0.440 60 R N 0.866 121.328 120.500 -0.063 0.000 2.083 60 R HA 0.073 4.413 4.340 0.001 0.000 0.237 60 R C 2.551 178.787 176.300 -0.108 0.000 1.137 60 R CA 1.699 57.760 56.100 -0.064 0.000 0.951 60 R CB -1.189 29.091 30.300 -0.033 0.000 0.851 60 R HN 0.628 nan 8.270 nan 0.000 0.434 61 I N 0.374 120.854 120.570 -0.152 0.000 2.118 61 I HA -0.389 3.781 4.170 0.001 0.000 0.241 61 I C 2.764 178.732 176.117 -0.248 0.000 1.070 61 I CA 1.818 63.002 61.300 -0.193 0.000 1.327 61 I CB -0.502 37.357 38.000 -0.236 0.000 1.034 61 I HN 0.411 nan 8.210 nan 0.000 0.405 62 C N 0.667 119.741 119.300 -0.376 0.000 2.413 62 C HA -0.176 4.284 4.460 0.001 0.000 0.276 62 C C 2.661 177.556 174.990 -0.158 0.000 1.236 62 C CA 1.000 59.842 59.018 -0.294 0.000 1.735 62 C CB -1.189 26.376 27.740 -0.292 0.000 2.031 62 C HN 0.504 nan 8.230 nan 0.000 0.474 63 E N -0.056 120.070 120.200 -0.124 0.000 2.153 63 E HA -0.172 4.178 4.350 0.001 0.000 0.194 63 E C 1.994 178.551 176.600 -0.071 0.000 0.988 63 E CA 0.922 57.275 56.400 -0.078 0.000 0.811 63 E CB -0.120 29.546 29.700 -0.057 0.000 0.746 63 E HN 0.624 nan 8.360 nan 0.000 0.466 64 R N 0.168 120.620 120.500 -0.080 0.000 2.393 64 R HA 0.072 4.412 4.340 0.001 0.000 0.244 64 R C 2.042 178.302 176.300 -0.068 0.000 0.920 64 R CA 0.409 56.471 56.100 -0.064 0.000 1.076 64 R CB 0.417 30.685 30.300 -0.055 0.000 1.119 64 R HN 0.077 nan 8.270 nan 0.000 0.524 65 S N 0.300 115.947 115.700 -0.088 0.000 2.461 65 S HA 0.036 4.506 4.470 0.001 0.000 0.228 65 S C 1.429 175.988 174.600 -0.068 0.000 1.005 65 S CA 0.421 58.569 58.200 -0.087 0.000 0.942 65 S CB 0.324 63.452 63.200 -0.120 0.000 0.776 65 S HN 0.301 nan 8.310 nan 0.000 0.514 66 A N 0.293 123.075 122.820 -0.064 0.000 2.860 66 A HA -0.141 4.179 4.320 0.001 0.000 0.267 66 A C 0.171 177.718 177.584 -0.063 0.000 1.421 66 A CA 1.087 53.091 52.037 -0.054 0.000 0.831 66 A CB -2.594 16.383 19.000 -0.039 0.000 1.041 66 A HN 0.671 nan 8.150 nan 0.000 0.623 67 I N -1.596 118.927 120.570 -0.079 0.000 2.389 67 I HA 0.538 4.708 4.170 0.001 0.000 0.288 67 I C 1.069 177.125 176.117 -0.103 0.000 0.999 67 I CA 0.083 61.328 61.300 -0.090 0.000 1.129 67 I CB 1.651 39.593 38.000 -0.098 0.000 1.288 67 I HN 0.286 nan 8.210 nan 0.000 0.444 68 K N 4.986 125.317 120.400 -0.115 0.000 2.354 68 K HA 0.277 4.598 4.320 0.001 0.000 0.194 68 K C 0.494 177.007 176.600 -0.144 0.000 1.038 68 K CA 0.431 56.649 56.287 -0.116 0.000 1.052 68 K CB 0.730 33.161 32.500 -0.114 0.000 0.861 68 K HN 0.732 nan 8.250 nan 0.000 0.535 69 Q N -0.779 118.915 119.800 -0.178 0.000 2.527 69 Q HA 0.502 4.843 4.340 0.001 0.000 0.280 69 Q C -1.792 174.066 176.000 -0.236 0.000 0.977 69 Q CA -0.783 54.877 55.803 -0.238 0.000 0.837 69 Q CB 1.759 30.315 28.738 -0.304 0.000 1.454 69 Q HN 0.342 nan 8.270 nan 0.000 0.387 70 R N 1.520 121.853 120.500 -0.279 0.000 2.668 70 R HA 0.400 4.740 4.340 0.001 0.000 0.272 70 R C -1.746 174.417 176.300 -0.228 0.000 1.019 70 R CA -0.646 55.356 56.100 -0.163 0.000 0.894 70 R CB 1.732 31.958 30.300 -0.123 0.000 1.228 70 R HN 0.510 nan 8.270 nan 0.000 0.460 71 Y N 2.142 122.479 120.300 0.061 0.000 2.320 71 Y HA 0.484 5.035 4.550 0.001 0.000 0.334 71 Y C 0.362 176.317 175.900 0.091 0.000 1.055 71 Y CA -0.276 57.875 58.100 0.085 0.000 1.143 71 Y CB 1.538 40.084 38.460 0.143 0.000 1.193 71 Y HN 0.219 nan 8.280 nan 0.000 0.477 72 M N 3.064 122.793 119.600 0.216 0.000 2.326 72 M HA 0.163 4.643 4.480 0.001 0.000 0.292 72 M C -0.157 176.261 176.300 0.198 0.000 1.081 72 M CA -0.845 54.574 55.300 0.199 0.000 0.919 72 M CB 1.851 34.545 32.600 0.157 0.000 1.634 72 M HN 0.815 nan 8.290 nan 0.000 0.451 73 Y N 3.591 123.957 120.300 0.110 0.000 2.181 73 Y HA 0.088 4.638 4.550 0.001 0.000 0.288 73 Y C 0.302 176.236 175.900 0.058 0.000 1.146 73 Y CA 1.395 59.545 58.100 0.084 0.000 1.164 73 Y CB 0.204 38.709 38.460 0.075 0.000 0.982 73 Y HN 0.546 nan 8.280 nan 0.000 0.515 74 L N 3.230 124.406 121.223 -0.079 0.000 2.530 74 L HA 0.117 4.458 4.340 0.001 0.000 0.273 74 L C 0.603 177.403 176.870 -0.117 0.000 1.141 74 L CA 0.176 54.889 54.840 -0.211 0.000 0.905 74 L CB -0.205 41.740 42.059 -0.190 0.000 1.202 74 L HN 0.282 nan 8.230 nan 0.000 0.473 75 T N -1.950 112.511 114.554 -0.155 0.000 2.937 75 T HA 0.187 4.538 4.350 0.001 0.000 0.283 75 T C 0.861 175.600 174.700 0.066 0.000 1.012 75 T CA -0.808 61.273 62.100 -0.032 0.000 0.997 75 T CB 1.833 70.657 68.868 -0.072 0.000 1.136 75 T HN 0.620 nan 8.240 nan 0.000 0.551 76 E N 0.309 120.615 120.200 0.176 0.000 2.118 76 E HA -0.172 4.179 4.350 0.001 0.000 0.195 76 E C 2.363 179.013 176.600 0.083 0.000 0.992 76 E CA 1.671 58.218 56.400 0.246 0.000 0.804 76 E CB -0.470 29.422 29.700 0.321 0.000 0.741 76 E HN 0.855 nan 8.360 nan 0.000 0.458 77 E N 0.985 121.206 120.200 0.036 0.000 2.051 77 E HA -0.173 4.177 4.350 0.001 0.000 0.192 77 E C 1.880 178.467 176.600 -0.022 0.000 0.991 77 E CA 1.491 57.894 56.400 0.004 0.000 0.799 77 E CB -0.821 28.875 29.700 -0.006 0.000 0.748 77 E HN 0.422 nan 8.360 nan 0.000 0.449 78 I N 0.114 120.648 120.570 -0.061 0.000 2.226 78 I HA -0.188 3.982 4.170 0.001 0.000 0.245 78 I C 2.742 178.819 176.117 -0.067 0.000 1.100 78 I CA 1.062 62.311 61.300 -0.085 0.000 1.374 78 I CB -0.122 37.766 38.000 -0.187 0.000 1.057 78 I HN 0.224 nan 8.210 nan 0.000 0.413 79 L N 0.922 122.099 121.223 -0.075 0.000 2.141 79 L HA -0.209 4.131 4.340 0.001 0.000 0.209 79 L C 3.082 179.925 176.870 -0.044 0.000 1.094 79 L CA 1.519 56.309 54.840 -0.084 0.000 0.763 79 L CB -0.862 41.126 42.059 -0.118 0.000 0.908 79 L HN 0.226 nan 8.230 nan 0.000 0.437 80 K N 0.771 121.156 120.400 -0.026 0.000 2.148 80 K HA -0.093 4.227 4.320 0.001 0.000 0.204 80 K C 2.247 178.840 176.600 -0.012 0.000 1.050 80 K CA 1.628 57.905 56.287 -0.018 0.000 0.942 80 K CB -1.020 31.477 32.500 -0.004 0.000 0.724 80 K HN 0.426 nan 8.250 nan 0.000 0.446 81 K N 0.992 121.386 120.400 -0.011 0.000 2.459 81 K HA 0.096 4.417 4.320 0.001 0.000 0.193 81 K C 0.694 177.294 176.600 -0.000 0.000 1.030 81 K CA 0.557 56.841 56.287 -0.004 0.000 1.026 81 K CB -0.068 32.431 32.500 -0.002 0.000 0.809 81 K HN 0.525 nan 8.250 nan 0.000 0.504 82 N N 0.456 119.153 118.700 -0.004 0.000 2.765 82 N HA 0.164 4.905 4.740 0.001 0.000 0.277 82 N C -2.586 172.931 175.510 0.012 0.000 1.750 82 N CA -1.204 51.850 53.050 0.008 0.000 0.827 82 N CB 1.912 40.407 38.487 0.014 0.000 1.200 82 N HN -0.021 nan 8.380 nan 0.000 0.494 83 P HA -0.140 nan 4.420 nan 0.000 0.221 83 P C 1.073 178.387 177.300 0.022 0.000 1.145 83 P CA 1.174 64.278 63.100 0.008 0.000 0.795 83 P CB 0.281 31.980 31.700 -0.002 0.000 0.775 84 D N -0.931 119.484 120.400 0.025 0.000 2.178 84 D HA -0.106 4.534 4.640 0.001 0.000 0.201 84 D C 1.662 177.995 176.300 0.055 0.000 0.980 84 D CA 1.003 55.020 54.000 0.029 0.000 0.842 84 D CB -1.216 39.597 40.800 0.022 0.000 0.948 84 D HN 0.071 nan 8.370 nan 0.000 0.472 85 V N 0.362 120.324 119.914 0.081 0.000 2.871 85 V HA -0.131 3.989 4.120 0.001 0.000 0.256 85 V C 2.358 178.609 176.094 0.260 0.000 1.082 85 V CA 0.954 63.346 62.300 0.154 0.000 1.105 85 V CB -0.238 31.662 31.823 0.127 0.000 0.713 85 V HN 0.353 nan 8.190 nan 0.000 0.473 86 C N 0.164 119.574 119.300 0.182 0.000 2.539 86 C HA 0.488 4.948 4.460 0.001 0.000 0.268 86 C C 1.632 176.654 174.990 0.054 0.000 1.395 86 C CA -0.452 58.679 59.018 0.189 0.000 1.757 86 C CB -1.334 26.451 27.740 0.075 0.000 1.851 86 C HN 0.523 nan 8.230 nan 0.000 0.545 87 A N -0.074 122.776 122.820 0.050 0.000 2.259 87 A HA 0.540 4.860 4.320 0.001 0.000 0.278 87 A C 0.509 178.135 177.584 0.069 0.000 1.107 87 A CA -0.224 51.830 52.037 0.029 0.000 0.828 87 A CB 0.116 19.128 19.000 0.020 0.000 1.111 87 A HN 0.278 nan 8.150 nan 0.000 0.498 88 F N 0.549 120.440 119.950 -0.098 0.000 2.084 88 F HA 0.159 4.686 4.527 0.001 0.000 0.283 88 F C 1.520 177.262 175.800 -0.096 0.000 1.141 88 F CA 2.366 60.295 58.000 -0.118 0.000 1.146 88 F CB -0.085 38.830 39.000 -0.143 0.000 1.035 88 F HN 0.457 nan 8.300 nan 0.000 0.485 89 V N -2.560 117.212 119.914 -0.236 0.000 3.355 89 V HA 0.348 4.468 4.120 0.001 0.000 0.330 89 V C 0.696 176.729 176.094 -0.102 0.000 1.479 89 V CA 0.064 62.183 62.300 -0.301 0.000 1.150 89 V CB -0.047 31.479 31.823 -0.495 0.000 1.044 89 V HN 0.252 nan 8.190 nan 0.000 0.501 90 E N 2.198 122.385 120.200 -0.022 0.000 2.150 90 E HA 0.066 4.417 4.350 0.001 0.000 0.193 90 E C 0.928 177.519 176.600 -0.014 0.000 0.985 90 E CA 1.611 58.011 56.400 -0.000 0.000 0.814 90 E CB 0.003 29.715 29.700 0.019 0.000 0.752 90 E HN 0.858 nan 8.360 nan 0.000 0.466 91 V N -2.139 117.763 119.914 -0.021 0.000 2.914 91 V HA 0.539 4.660 4.120 0.001 0.000 0.314 91 V C -2.596 173.482 176.094 -0.026 0.000 1.084 91 V CA -2.817 59.473 62.300 -0.017 0.000 0.963 91 V CB 1.815 33.635 31.823 -0.006 0.000 1.025 91 V HN -0.159 nan 8.190 nan 0.000 0.432 92 P HA 0.323 nan 4.420 nan 0.000 0.272 92 P C 0.114 177.408 177.300 -0.009 0.000 1.230 92 P CA 0.221 63.309 63.100 -0.021 0.000 0.788 92 P CB 1.619 33.309 31.700 -0.016 0.000 0.949 93 S N -0.739 114.958 115.700 -0.005 0.000 2.702 93 S HA -0.008 4.462 4.470 0.001 0.000 0.257 93 S C 1.139 175.750 174.600 0.019 0.000 0.981 93 S CA -0.306 57.902 58.200 0.014 0.000 1.414 93 S CB -0.832 62.384 63.200 0.027 0.000 1.239 93 S HN 0.242 nan 8.310 nan 0.000 0.676 94 L N 3.140 124.367 121.223 0.007 0.000 1.994 94 L HA 0.056 4.397 4.340 0.001 0.000 0.208 94 L C 1.686 178.562 176.870 0.010 0.000 1.071 94 L CA 2.422 57.268 54.840 0.009 0.000 0.745 94 L CB -0.896 41.162 42.059 -0.002 0.000 0.892 94 L HN 0.163 nan 8.230 nan 0.000 0.431 95 D N 0.073 120.476 120.400 0.005 0.000 2.158 95 D HA -0.203 4.437 4.640 0.001 0.000 0.197 95 D C 2.164 178.471 176.300 0.012 0.000 0.995 95 D CA 1.653 55.655 54.000 0.004 0.000 0.846 95 D CB -0.298 40.503 40.800 0.001 0.000 0.941 95 D HN 0.553 nan 8.370 nan 0.000 0.456 96 A N 0.682 123.514 122.820 0.021 0.000 1.897 96 A HA -0.127 4.193 4.320 0.001 0.000 0.215 96 A C 2.172 179.783 177.584 0.044 0.000 1.181 96 A CA 1.057 53.113 52.037 0.033 0.000 0.620 96 A CB -0.328 18.694 19.000 0.038 0.000 0.821 96 A HN 0.113 nan 8.150 nan 0.000 0.443 97 R N -0.589 119.938 120.500 0.046 0.000 2.092 97 R HA -0.100 4.240 4.340 0.001 0.000 0.231 97 R C 2.317 178.633 176.300 0.027 0.000 1.119 97 R CA 1.289 57.422 56.100 0.055 0.000 0.970 97 R CB -0.242 30.097 30.300 0.065 0.000 0.864 97 R HN 0.508 nan 8.270 nan 0.000 0.440 98 Q N 0.350 120.157 119.800 0.012 0.000 2.084 98 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 98 Q C 2.204 178.197 176.000 -0.012 0.000 0.978 98 Q CA 1.765 57.563 55.803 -0.008 0.000 0.844 98 Q CB -0.299 28.430 28.738 -0.015 0.000 0.898 98 Q HN 0.365 nan 8.270 nan 0.000 0.426 99 A N 0.638 123.459 122.820 0.002 0.000 1.933 99 A HA -0.142 4.179 4.320 0.001 0.000 0.218 99 A C 2.180 179.764 177.584 -0.000 0.000 1.175 99 A CA 1.381 53.420 52.037 0.004 0.000 0.628 99 A CB -0.460 18.552 19.000 0.019 0.000 0.814 99 A HN 0.300 nan 8.150 nan 0.000 0.444 100 M N -0.646 118.959 119.600 0.009 0.000 2.132 100 M HA -0.070 4.410 4.480 0.001 0.000 0.263 100 M C 2.065 178.269 176.300 -0.159 0.000 1.065 100 M CA 1.260 56.541 55.300 -0.032 0.000 1.122 100 M CB -0.476 32.157 32.600 0.056 0.000 1.365 100 M HN 0.359 nan 8.290 nan 0.000 0.411 101 L N -0.175 120.991 121.223 -0.094 0.000 2.046 101 L HA -0.150 4.191 4.340 0.001 0.000 0.208 101 L C 2.874 179.700 176.870 -0.074 0.000 1.077 101 L CA 1.118 55.904 54.840 -0.089 0.000 0.747 101 L CB -0.987 41.049 42.059 -0.039 0.000 0.896 101 L HN 0.299 nan 8.230 nan 0.000 0.432 102 A N -0.182 122.604 122.820 -0.057 0.000 1.948 102 A HA -0.245 4.075 4.320 0.001 0.000 0.220 102 A C 2.276 179.832 177.584 -0.045 0.000 1.177 102 A CA 2.046 54.056 52.037 -0.046 0.000 0.636 102 A CB -0.402 18.577 19.000 -0.035 0.000 0.815 102 A HN 0.396 nan 8.150 nan 0.000 0.449 103 M N -2.292 117.272 119.600 -0.059 0.000 2.276 103 M HA 0.001 4.481 4.480 0.001 0.000 0.262 103 M C 2.226 178.477 176.300 -0.083 0.000 1.098 103 M CA 1.520 56.790 55.300 -0.050 0.000 1.167 103 M CB -0.231 32.356 32.600 -0.022 0.000 1.337 103 M HN 0.412 nan 8.290 nan 0.000 0.446 104 E N 0.722 120.802 120.200 -0.200 0.000 2.072 104 E HA -0.101 4.249 4.350 0.001 0.000 0.191 104 E C 1.805 178.352 176.600 -0.089 0.000 0.985 104 E CA 1.268 57.521 56.400 -0.244 0.000 0.801 104 E CB -0.231 29.072 29.700 -0.662 0.000 0.750 104 E HN 0.186 nan 8.360 nan 0.000 0.452 105 V N 1.302 121.190 119.914 -0.044 0.000 2.255 105 V HA -0.190 3.930 4.120 0.001 0.000 0.247 105 V C -0.750 175.422 176.094 0.130 0.000 1.051 105 V CA 2.390 64.739 62.300 0.082 0.000 1.018 105 V CB -1.421 30.494 31.823 0.153 0.000 0.641 105 V HN 0.284 nan 8.190 nan 0.000 0.445 106 P HA -0.150 nan 4.420 nan 0.000 0.217 106 P C 1.755 179.080 177.300 0.041 0.000 1.150 106 P CA 1.371 64.485 63.100 0.024 0.000 0.832 106 P CB -0.100 31.576 31.700 -0.039 0.000 0.787 107 R N 0.073 120.590 120.500 0.027 0.000 2.080 107 R HA -0.135 4.206 4.340 0.001 0.000 0.236 107 R C 2.168 178.498 176.300 0.050 0.000 1.137 107 R CA 1.620 57.739 56.100 0.033 0.000 0.943 107 R CB -1.041 29.278 30.300 0.031 0.000 0.846 107 R HN 0.145 nan 8.270 nan 0.000 0.431 108 L N 0.239 121.499 121.223 0.061 0.000 2.046 108 L HA -0.130 4.211 4.340 0.001 0.000 0.208 108 L C 2.787 179.703 176.870 0.077 0.000 1.077 108 L CA 1.233 56.114 54.840 0.068 0.000 0.747 108 L CB -0.611 41.492 42.059 0.073 0.000 0.896 108 L HN 0.366 nan 8.230 nan 0.000 0.432 109 A N 0.332 123.226 122.820 0.123 0.000 1.883 109 A HA -0.288 4.032 4.320 0.001 0.000 0.217 109 A C 2.412 180.053 177.584 0.095 0.000 1.186 109 A CA 2.208 54.343 52.037 0.163 0.000 0.624 109 A CB -0.527 18.702 19.000 0.382 0.000 0.822 109 A HN 0.367 nan 8.150 nan 0.000 0.444 110 K N -0.131 120.310 120.400 0.068 0.000 2.032 110 K HA -0.225 4.096 4.320 0.001 0.000 0.209 110 K C 1.907 178.520 176.600 0.022 0.000 1.048 110 K CA 1.867 58.173 56.287 0.032 0.000 0.927 110 K CB -0.254 32.256 32.500 0.018 0.000 0.712 110 K HN 0.637 nan 8.250 nan 0.000 0.441 111 E N 0.041 120.256 120.200 0.024 0.000 2.077 111 E HA -0.190 4.160 4.350 0.001 0.000 0.193 111 E C 2.012 178.610 176.600 -0.003 0.000 0.989 111 E CA 1.138 57.545 56.400 0.012 0.000 0.800 111 E CB -0.153 29.557 29.700 0.018 0.000 0.746 111 E HN 0.462 nan 8.360 nan 0.000 0.452 112 A N 1.517 124.336 122.820 -0.003 0.000 1.898 112 A HA -0.075 4.246 4.320 0.001 0.000 0.216 112 A C 2.409 179.969 177.584 -0.039 0.000 1.181 112 A CA 1.595 53.611 52.037 -0.036 0.000 0.620 112 A CB -0.648 18.334 19.000 -0.030 0.000 0.819 112 A HN 0.287 nan 8.150 nan 0.000 0.442 113 A N -0.175 122.636 122.820 -0.015 0.000 1.933 113 A HA -0.173 4.148 4.320 0.001 0.000 0.218 113 A C 1.900 179.480 177.584 -0.007 0.000 1.175 113 A CA 1.647 53.674 52.037 -0.018 0.000 0.628 113 A CB -0.531 18.469 19.000 0.000 0.000 0.814 113 A HN 0.639 nan 8.150 nan 0.000 0.444 114 E N -0.303 119.897 120.200 0.000 0.000 2.110 114 E HA -0.178 4.173 4.350 0.001 0.000 0.193 114 E C 1.865 178.470 176.600 0.010 0.000 0.988 114 E CA 1.076 57.482 56.400 0.010 0.000 0.804 114 E CB -0.059 29.645 29.700 0.006 0.000 0.745 114 E HN 0.329 nan 8.360 nan 0.000 0.458 115 K N 0.345 120.740 120.400 -0.009 0.000 2.097 115 K HA -0.045 4.276 4.320 0.001 0.000 0.205 115 K C 1.989 178.584 176.600 -0.008 0.000 1.050 115 K CA 1.020 57.298 56.287 -0.016 0.000 0.938 115 K CB -0.280 32.193 32.500 -0.045 0.000 0.718 115 K HN 0.082 nan 8.250 nan 0.000 0.442 116 A N 1.232 124.042 122.820 -0.018 0.000 1.897 116 A HA -0.049 4.271 4.320 0.001 0.000 0.215 116 A C 2.258 179.885 177.584 0.071 0.000 1.181 116 A CA 0.947 52.976 52.037 -0.013 0.000 0.620 116 A CB -0.492 18.466 19.000 -0.071 0.000 0.821 116 A HN 0.176 nan 8.150 nan 0.000 0.443 117 I N -0.375 120.252 120.570 0.094 0.000 2.361 117 I HA -0.291 3.879 4.170 0.001 0.000 0.251 117 I C 2.764 179.011 176.117 0.217 0.000 1.133 117 I CA 1.691 63.135 61.300 0.239 0.000 1.413 117 I CB -0.295 37.813 38.000 0.182 0.000 1.073 117 I HN 0.555 nan 8.210 nan 0.000 0.424 118 Q N 1.174 121.037 119.800 0.105 0.000 2.046 118 Q HA -0.272 4.069 4.340 0.001 0.000 0.200 118 Q C 2.205 178.241 176.000 0.061 0.000 0.975 118 Q CA 1.793 57.631 55.803 0.058 0.000 0.836 118 Q CB -0.075 28.679 28.738 0.026 0.000 0.896 118 Q HN 0.482 nan 8.270 nan 0.000 0.428 119 E N -0.526 119.720 120.200 0.075 0.000 2.077 119 E HA -0.214 4.136 4.350 0.001 0.000 0.193 119 E C 1.635 178.315 176.600 0.133 0.000 0.989 119 E CA 1.204 57.646 56.400 0.070 0.000 0.800 119 E CB -0.342 29.388 29.700 0.050 0.000 0.746 119 E HN 0.548 nan 8.360 nan 0.000 0.452 120 W N 1.066 122.343 121.300 -0.038 0.000 2.342 120 W HA -0.128 4.533 4.660 0.001 0.000 0.297 120 W C 1.401 177.902 176.519 -0.029 0.000 1.213 120 W CA 2.492 59.817 57.345 -0.033 0.000 1.251 120 W CB -0.589 28.851 29.460 -0.033 0.000 1.136 120 W HN 0.302 nan 8.180 nan 0.000 0.526 121 G N 0.431 109.205 108.800 -0.044 0.000 2.168 121 G HA2 -0.271 3.690 3.960 0.001 0.000 0.257 121 G HA3 -0.271 3.690 3.960 0.001 0.000 0.257 121 G C 0.259 174.907 174.900 -0.421 0.000 0.997 121 G CA 0.618 45.600 45.100 -0.197 0.000 0.708 121 G HN 0.401 nan 8.290 nan 0.000 0.520 122 Q N -0.228 119.082 119.800 -0.817 0.000 2.306 122 Q HA 0.652 4.992 4.340 0.001 0.000 0.269 122 Q C 0.352 175.973 176.000 -0.632 0.000 1.053 122 Q CA -0.391 54.827 55.803 -0.975 0.000 0.879 122 Q CB 1.292 28.926 28.738 -1.840 0.000 1.344 122 Q HN 0.319 nan 8.270 nan 0.000 0.464 123 S N 0.490 115.948 115.700 -0.403 0.000 2.537 123 S HA -0.024 4.446 4.470 0.001 0.000 0.286 123 S C 1.054 175.631 174.600 -0.038 0.000 1.299 123 S CA -0.084 58.017 58.200 -0.164 0.000 1.067 123 S CB 0.274 63.418 63.200 -0.093 0.000 0.864 123 S HN 0.590 nan 8.310 nan 0.000 0.494 124 K N 2.808 123.231 120.400 0.039 0.000 2.442 124 K HA -0.056 4.265 4.320 0.001 0.000 0.198 124 K C 1.685 178.292 176.600 0.012 0.000 1.042 124 K CA 1.398 57.758 56.287 0.122 0.000 0.958 124 K CB -0.362 32.160 32.500 0.037 0.000 0.766 124 K HN 0.606 nan 8.250 nan 0.000 0.474 125 S N 0.393 116.073 115.700 -0.033 0.000 2.507 125 S HA -0.021 4.449 4.470 0.001 0.000 0.235 125 S C 1.933 176.623 174.600 0.150 0.000 0.988 125 S CA 0.494 58.668 58.200 -0.043 0.000 0.944 125 S CB -0.277 63.064 63.200 0.235 0.000 0.762 125 S HN 0.500 nan 8.310 nan 0.000 0.526 126 G N 0.766 109.678 108.800 0.185 0.000 2.880 126 G HA2 0.300 4.261 3.960 0.001 0.000 0.209 126 G HA3 0.300 4.261 3.960 0.001 0.000 0.209 126 G C 0.401 175.467 174.900 0.278 0.000 1.157 126 G CA -0.431 44.825 45.100 0.260 0.000 0.779 126 G HN 0.545 nan 8.290 nan 0.000 0.539 127 I N 2.427 123.118 120.570 0.202 0.000 2.505 127 I HA 0.059 4.230 4.170 0.001 0.000 0.287 127 I C 1.780 177.927 176.117 0.049 0.000 1.104 127 I CA 0.067 61.405 61.300 0.064 0.000 1.387 127 I CB 1.453 39.449 38.000 -0.007 0.000 1.404 127 I HN 0.110 nan 8.210 nan 0.000 0.528 128 T N 1.976 116.566 114.554 0.061 0.000 3.037 128 T HA 0.172 4.523 4.350 0.001 0.000 0.252 128 T C 0.690 175.252 174.700 -0.231 0.000 1.073 128 T CA 0.353 62.442 62.100 -0.018 0.000 1.091 128 T CB 0.124 69.036 68.868 0.072 0.000 0.935 128 T HN 0.504 nan 8.240 nan 0.000 0.488 129 H N -0.228 118.823 119.070 -0.032 0.000 2.946 129 H HA 0.697 5.254 4.556 0.001 0.000 0.365 129 H C -1.801 173.497 175.328 -0.050 0.000 1.197 129 H CA -1.103 54.925 56.048 -0.034 0.000 1.131 129 H CB 2.468 32.205 29.762 -0.041 0.000 1.849 129 H HN 0.083 nan 8.280 nan 0.000 0.555 130 L N 2.236 123.515 121.223 0.093 0.000 2.439 130 L HA 0.445 4.785 4.340 0.001 0.000 0.270 130 L C -1.550 175.349 176.870 0.049 0.000 0.972 130 L CA -0.291 54.576 54.840 0.045 0.000 0.836 130 L CB 1.121 43.199 42.059 0.033 0.000 1.255 130 L HN 0.520 nan 8.230 nan 0.000 0.404 131 I N 5.692 126.269 120.570 0.011 0.000 2.359 131 I HA 0.325 4.495 4.170 0.001 0.000 0.284 131 I C -1.174 174.933 176.117 -0.017 0.000 1.018 131 I CA -0.390 60.893 61.300 -0.028 0.000 1.173 131 I CB 1.162 39.109 38.000 -0.088 0.000 1.326 131 I HN 0.551 nan 8.210 nan 0.000 0.462 132 F N 7.732 127.597 119.950 -0.142 0.000 2.444 132 F HA 0.584 5.112 4.527 0.001 0.000 0.342 132 F C -0.397 175.252 175.800 -0.251 0.000 1.121 132 F CA -0.649 57.272 58.000 -0.131 0.000 0.997 132 F CB 1.113 40.088 39.000 -0.043 0.000 1.130 132 F HN 0.472 nan 8.300 nan 0.000 0.454 133 C N 5.496 124.245 119.300 -0.918 0.000 2.498 133 C HA 0.875 5.335 4.460 0.001 0.000 0.316 133 C C -0.951 173.652 174.990 -0.644 0.000 1.209 133 C CA -0.114 58.499 59.018 -0.674 0.000 1.518 133 C CB 0.555 28.021 27.740 -0.458 0.000 2.147 133 C HN 0.919 nan 8.230 nan 0.000 0.483 134 S N 2.855 118.422 115.700 -0.221 0.000 2.535 134 S HA 0.380 4.850 4.470 0.001 0.000 0.272 134 S C 0.733 175.392 174.600 0.098 0.000 1.149 134 S CA 0.001 58.195 58.200 -0.010 0.000 0.888 134 S CB 1.704 65.052 63.200 0.247 0.000 1.110 134 S HN 0.872 nan 8.310 nan 0.000 0.463 135 T N 2.463 117.023 114.554 0.009 0.000 2.685 135 T HA -0.037 4.314 4.350 0.001 0.000 0.268 135 T C 0.966 175.723 174.700 0.094 0.000 1.034 135 T CA 2.144 64.246 62.100 0.003 0.000 1.149 135 T CB -0.474 68.359 68.868 -0.059 0.000 0.860 135 T HN 0.996 nan 8.240 nan 0.000 0.449 136 T N -2.092 112.533 114.554 0.117 0.000 2.843 136 T HA 0.571 4.922 4.350 0.001 0.000 0.302 136 T C -1.100 173.613 174.700 0.022 0.000 1.232 136 T CA -0.845 61.304 62.100 0.081 0.000 1.009 136 T CB 2.506 71.390 68.868 0.027 0.000 1.254 136 T HN -0.095 nan 8.240 nan 0.000 0.504 137 T N 1.796 116.237 114.554 -0.187 0.000 2.916 137 T HA 0.604 4.955 4.350 0.001 0.000 0.298 137 T C -1.740 172.816 174.700 -0.240 0.000 1.031 137 T CA -1.567 60.344 62.100 -0.316 0.000 0.993 137 T CB 1.737 70.052 68.868 -0.921 0.000 1.045 137 T HN 0.586 nan 8.240 nan 0.000 0.454 138 P HA 0.118 nan 4.420 nan 0.000 0.217 138 P C -0.218 177.011 177.300 -0.118 0.000 1.151 138 P CA 0.990 64.024 63.100 -0.110 0.000 0.828 138 P CB 0.463 32.118 31.700 -0.074 0.000 0.788 139 D N -0.749 119.565 120.400 -0.144 0.000 2.801 139 D HA 0.506 5.147 4.640 0.001 0.000 0.277 139 D C -0.493 175.719 176.300 -0.148 0.000 1.125 139 D CA -0.481 53.444 54.000 -0.125 0.000 1.102 139 D CB 0.727 41.467 40.800 -0.100 0.000 1.400 139 D HN -0.139 nan 8.370 nan 0.000 0.601 140 L N 1.392 122.542 121.223 -0.121 0.000 2.406 140 L HA 0.368 4.708 4.340 0.001 0.000 0.272 140 L C -2.053 174.728 176.870 -0.150 0.000 0.980 140 L CA -1.183 53.586 54.840 -0.117 0.000 0.831 140 L CB 1.359 43.366 42.059 -0.087 0.000 1.253 140 L HN 0.206 nan 8.230 nan 0.000 0.406 141 P HA 0.266 nan 4.420 nan 0.000 0.272 141 P C 0.083 177.325 177.300 -0.096 0.000 1.240 141 P CA -0.410 62.599 63.100 -0.150 0.000 0.791 141 P CB 0.709 32.241 31.700 -0.279 0.000 0.978 142 G N -0.635 108.148 108.800 -0.029 0.000 2.651 142 G HA2 0.324 4.284 3.960 0.001 0.000 0.260 142 G HA3 0.324 4.284 3.960 0.001 0.000 0.260 142 G C 1.085 175.965 174.900 -0.034 0.000 1.216 142 G CA -0.083 44.955 45.100 -0.103 0.000 0.913 142 G HN 0.585 nan 8.290 nan 0.000 0.535 143 A N -0.172 122.581 122.820 -0.113 0.000 2.131 143 A HA -0.102 4.219 4.320 0.001 0.000 0.220 143 A C 2.020 179.250 177.584 -0.589 0.000 1.158 143 A CA 2.096 53.951 52.037 -0.303 0.000 0.665 143 A CB -0.482 18.326 19.000 -0.320 0.000 0.795 143 A HN 0.765 nan 8.150 nan 0.000 0.460 144 D N -0.816 119.338 120.400 -0.409 0.000 2.149 144 D HA -0.236 4.404 4.640 0.001 0.000 0.198 144 D C 1.775 177.995 176.300 -0.134 0.000 0.990 144 D CA 1.368 55.171 54.000 -0.328 0.000 0.839 144 D CB -0.659 40.172 40.800 0.051 0.000 0.948 144 D HN 0.484 nan 8.370 nan 0.000 0.460 145 F N 2.013 121.880 119.950 -0.137 0.000 2.075 145 F HA -0.174 4.353 4.527 0.001 0.000 0.297 145 F C 2.512 178.244 175.800 -0.112 0.000 1.113 145 F CA 1.863 59.809 58.000 -0.090 0.000 1.218 145 F CB -0.154 38.810 39.000 -0.061 0.000 0.984 145 F HN -0.156 nan 8.300 nan 0.000 0.472 146 E N 0.237 120.467 120.200 0.051 0.000 2.085 146 E HA -0.162 4.188 4.350 0.001 0.000 0.194 146 E C 2.081 178.588 176.600 -0.155 0.000 0.994 146 E CA 1.771 58.148 56.400 -0.037 0.000 0.801 146 E CB -0.654 29.035 29.700 -0.017 0.000 0.743 146 E HN 0.293 nan 8.360 nan 0.000 0.453 147 V N 0.849 120.630 119.914 -0.221 0.000 2.295 147 V HA -0.279 3.841 4.120 0.001 0.000 0.246 147 V C 2.416 178.417 176.094 -0.154 0.000 1.049 147 V CA 1.921 64.111 62.300 -0.183 0.000 1.024 147 V CB -1.102 30.576 31.823 -0.243 0.000 0.648 147 V HN 0.468 nan 8.190 nan 0.000 0.447 148 A N -0.126 122.575 122.820 -0.199 0.000 1.940 148 A HA -0.302 4.019 4.320 0.001 0.000 0.219 148 A C 2.356 179.802 177.584 -0.230 0.000 1.176 148 A CA 2.368 54.284 52.037 -0.202 0.000 0.631 148 A CB -0.528 18.327 19.000 -0.242 0.000 0.814 148 A HN 0.569 nan 8.150 nan 0.000 0.446 149 K N -0.753 119.461 120.400 -0.310 0.000 2.002 149 K HA -0.137 4.184 4.320 0.001 0.000 0.209 149 K C 1.776 178.293 176.600 -0.138 0.000 1.048 149 K CA 1.536 57.670 56.287 -0.256 0.000 0.930 149 K CB -0.339 31.996 32.500 -0.276 0.000 0.714 149 K HN 0.266 nan 8.250 nan 0.000 0.438 150 L N 1.431 122.588 121.223 -0.110 0.000 2.127 150 L HA -0.143 4.198 4.340 0.001 0.000 0.211 150 L C 2.123 178.959 176.870 -0.057 0.000 1.089 150 L CA 1.457 56.258 54.840 -0.065 0.000 0.757 150 L CB -0.488 41.542 42.059 -0.048 0.000 0.899 150 L HN 0.243 nan 8.230 nan 0.000 0.434 151 L N -0.946 120.235 121.223 -0.070 0.000 2.591 151 L HA 0.177 4.518 4.340 0.001 0.000 0.228 151 L C 1.240 178.067 176.870 -0.071 0.000 1.133 151 L CA 0.391 55.196 54.840 -0.058 0.000 0.880 151 L CB -0.566 41.461 42.059 -0.053 0.000 1.033 151 L HN 0.462 nan 8.230 nan 0.000 0.450 152 G N 1.225 109.974 108.800 -0.085 0.000 2.323 152 G HA2 -0.280 3.681 3.960 0.001 0.000 0.292 152 G HA3 -0.280 3.681 3.960 0.001 0.000 0.292 152 G C 0.133 174.964 174.900 -0.116 0.000 1.040 152 G CA 0.008 45.058 45.100 -0.084 0.000 0.942 152 G HN 0.253 nan 8.290 nan 0.000 0.506 153 L N 0.284 121.427 121.223 -0.134 0.000 2.439 153 L HA 0.394 4.735 4.340 0.001 0.000 0.261 153 L C 1.216 178.015 176.870 -0.119 0.000 1.153 153 L CA -1.360 53.375 54.840 -0.174 0.000 0.808 153 L CB 0.427 42.407 42.059 -0.132 0.000 1.126 153 L HN 0.194 nan 8.230 nan 0.000 0.460 154 H N 1.582 120.628 119.070 -0.041 0.000 2.948 154 H HA 0.001 4.558 4.556 0.001 0.000 0.351 154 H C -1.551 173.743 175.328 -0.056 0.000 1.079 154 H CA -1.612 54.412 56.048 -0.040 0.000 1.407 154 H CB 0.222 29.968 29.762 -0.027 0.000 1.373 154 H HN 0.338 nan 8.280 nan 0.000 0.605 155 P HA -0.121 nan 4.420 nan 0.000 0.220 155 P C 1.148 178.463 177.300 0.025 0.000 1.148 155 P CA 1.648 64.763 63.100 0.025 0.000 0.803 155 P CB 0.241 31.957 31.700 0.026 0.000 0.782 156 S N -2.032 113.688 115.700 0.034 0.000 2.603 156 S HA 0.055 4.526 4.470 0.001 0.000 0.220 156 S C 0.712 175.301 174.600 -0.019 0.000 0.967 156 S CA -0.268 57.935 58.200 0.005 0.000 0.920 156 S CB -1.105 62.089 63.200 -0.011 0.000 0.773 156 S HN -0.156 nan 8.310 nan 0.000 0.529 157 V N 3.006 122.915 119.914 -0.008 0.000 2.540 157 V HA 0.072 4.193 4.120 0.001 0.000 0.297 157 V C 0.475 176.523 176.094 -0.076 0.000 1.024 157 V CA 0.076 62.342 62.300 -0.058 0.000 1.105 157 V CB 0.138 31.935 31.823 -0.042 0.000 0.938 157 V HN 0.433 nan 8.190 nan 0.000 0.482 158 K N 6.388 126.689 120.400 -0.165 0.000 2.349 158 K HA 0.358 4.679 4.320 0.001 0.000 0.289 158 K C -0.038 176.563 176.600 0.002 0.000 1.064 158 K CA -0.090 56.139 56.287 -0.098 0.000 0.947 158 K CB 0.616 33.005 32.500 -0.184 0.000 1.007 158 K HN 0.571 nan 8.250 nan 0.000 0.478 159 R N 1.346 121.867 120.500 0.036 0.000 2.668 159 R HA 0.595 4.936 4.340 0.001 0.000 0.279 159 R C -1.070 175.271 176.300 0.068 0.000 0.976 159 R CA -0.947 55.189 56.100 0.060 0.000 0.978 159 R CB 1.984 32.325 30.300 0.070 0.000 1.133 159 R HN 0.279 nan 8.270 nan 0.000 0.484 160 V N 0.951 120.899 119.914 0.056 0.000 2.752 160 V HA 0.627 4.748 4.120 0.001 0.000 0.302 160 V C -0.900 175.175 176.094 -0.031 0.000 1.133 160 V CA -0.374 61.939 62.300 0.021 0.000 0.919 160 V CB 1.993 33.813 31.823 -0.004 0.000 1.026 160 V HN 0.883 nan 8.190 nan 0.000 0.429 161 G N 4.522 113.272 108.800 -0.082 0.000 2.356 161 G HA2 0.594 4.555 3.960 0.001 0.000 0.322 161 G HA3 0.594 4.555 3.960 0.001 0.000 0.322 161 G C -1.070 173.340 174.900 -0.815 0.000 1.125 161 G CA -0.506 44.328 45.100 -0.444 0.000 0.885 161 G HN 0.921 nan 8.290 nan 0.000 0.467 162 V N 2.892 122.184 119.914 -1.036 0.000 2.284 162 V HA 0.419 4.540 4.120 0.001 0.000 0.274 162 V C -0.826 174.781 176.094 -0.812 0.000 1.023 162 V CA -0.462 61.331 62.300 -0.845 0.000 0.808 162 V CB -0.516 30.884 31.823 -0.705 0.000 1.035 162 V HN 0.550 nan 8.190 nan 0.000 0.445 163 F N 1.417 121.387 119.950 0.033 0.000 2.538 163 F HA 0.505 5.032 4.527 0.001 0.000 0.325 163 F C 1.016 176.944 175.800 0.214 0.000 1.066 163 F CA -0.925 57.133 58.000 0.096 0.000 0.946 163 F CB 1.558 40.613 39.000 0.092 0.000 1.199 163 F HN 0.349 nan 8.300 nan 0.000 0.473 164 Q N -0.132 119.838 119.800 0.284 0.000 2.481 164 Q HA -0.276 4.065 4.340 0.001 0.000 0.272 164 Q C 0.229 176.261 176.000 0.054 0.000 1.157 164 Q CA 0.684 56.569 55.803 0.137 0.000 0.935 164 Q CB -1.337 27.471 28.738 0.117 0.000 1.338 164 Q HN 0.751 nan 8.270 nan 0.000 0.494 165 H N -1.492 117.479 119.070 -0.166 0.000 2.388 165 H HA 0.316 4.872 4.556 0.001 0.000 0.304 165 H C 1.464 176.376 175.328 -0.694 0.000 1.049 165 H CA 1.668 57.500 56.048 -0.360 0.000 1.371 165 H CB 0.437 29.945 29.762 -0.423 0.000 1.436 165 H HN 0.539 nan 8.280 nan 0.000 0.544 166 G N -0.948 107.593 108.800 -0.432 0.000 2.428 166 G HA2 -0.243 3.718 3.960 0.001 0.000 0.202 166 G HA3 -0.243 3.718 3.960 0.001 0.000 0.202 166 G C 1.012 175.596 174.900 -0.527 0.000 1.247 166 G CA -0.280 44.555 45.100 -0.441 0.000 1.020 166 G HN 0.344 nan 8.290 nan 0.000 0.529 167 C N 0.759 119.808 119.300 -0.419 0.000 2.422 167 C HA 0.136 4.596 4.460 0.001 0.000 0.286 167 C C 2.444 177.116 174.990 -0.531 0.000 1.412 167 C CA 1.817 60.548 59.018 -0.478 0.000 1.786 167 C CB -2.153 25.337 27.740 -0.417 0.000 1.835 167 C HN 0.611 nan 8.230 nan 0.000 0.533 168 F N 0.772 120.570 119.950 -0.253 0.000 2.789 168 F HA 0.441 4.969 4.527 0.001 0.000 0.300 168 F C 1.928 177.628 175.800 -0.167 0.000 1.132 168 F CA 0.233 58.109 58.000 -0.206 0.000 1.404 168 F CB -1.110 37.848 39.000 -0.070 0.000 1.114 168 F HN -0.002 nan 8.300 nan 0.000 0.584 169 A N 1.421 123.995 122.820 -0.410 0.000 2.131 169 A HA 0.060 4.380 4.320 0.001 0.000 0.220 169 A C 2.427 179.913 177.584 -0.163 0.000 1.158 169 A CA 1.304 53.183 52.037 -0.264 0.000 0.665 169 A CB -1.657 17.108 19.000 -0.392 0.000 0.795 169 A HN 0.529 nan 8.150 nan 0.000 0.460 170 G N -0.618 108.056 108.800 -0.211 0.000 2.448 170 G HA2 0.057 4.018 3.960 0.001 0.000 0.219 170 G HA3 0.057 4.018 3.960 0.001 0.000 0.219 170 G C 1.357 176.180 174.900 -0.127 0.000 1.127 170 G CA 1.167 46.096 45.100 -0.284 0.000 0.766 170 G HN 0.639 nan 8.290 nan 0.000 0.552 171 G N -0.023 108.733 108.800 -0.074 0.000 2.441 171 G HA2 -0.014 3.947 3.960 0.001 0.000 0.212 171 G HA3 -0.014 3.947 3.960 0.001 0.000 0.212 171 G C 1.788 176.683 174.900 -0.009 0.000 1.164 171 G CA 1.399 46.477 45.100 -0.038 0.000 0.811 171 G HN 0.320 nan 8.290 nan 0.000 0.535 172 T N 1.703 116.282 114.554 0.042 0.000 2.665 172 T HA -0.213 4.137 4.350 0.001 0.000 0.268 172 T C 2.688 177.363 174.700 -0.043 0.000 1.035 172 T CA 2.183 64.305 62.100 0.036 0.000 1.151 172 T CB -0.592 68.339 68.868 0.105 0.000 0.862 172 T HN 0.340 nan 8.240 nan 0.000 0.438 173 V N 0.111 119.988 119.914 -0.062 0.000 2.626 173 V HA -0.013 4.107 4.120 0.001 0.000 0.252 173 V C 2.235 178.288 176.094 -0.068 0.000 1.067 173 V CA 1.354 63.603 62.300 -0.084 0.000 1.081 173 V CB -1.125 30.646 31.823 -0.088 0.000 0.686 173 V HN 0.434 nan 8.190 nan 0.000 0.468 174 L N 0.008 121.212 121.223 -0.032 0.000 2.109 174 L HA -0.012 4.328 4.340 0.001 0.000 0.207 174 L C 2.959 179.788 176.870 -0.069 0.000 1.086 174 L CA 1.948 56.760 54.840 -0.047 0.000 0.760 174 L CB -0.560 41.488 42.059 -0.018 0.000 0.910 174 L HN 0.317 nan 8.230 nan 0.000 0.437 175 R N 0.448 120.902 120.500 -0.076 0.000 2.096 175 R HA -0.161 4.179 4.340 0.001 0.000 0.235 175 R C 2.227 178.471 176.300 -0.093 0.000 1.127 175 R CA 1.509 57.550 56.100 -0.099 0.000 0.968 175 R CB -0.111 30.123 30.300 -0.110 0.000 0.861 175 R HN 0.263 nan 8.270 nan 0.000 0.440 176 M N -0.217 119.331 119.600 -0.086 0.000 2.193 176 M HA 0.026 4.506 4.480 0.001 0.000 0.265 176 M C 2.458 178.698 176.300 -0.101 0.000 1.071 176 M CA 1.503 56.749 55.300 -0.090 0.000 1.140 176 M CB -0.084 32.460 32.600 -0.093 0.000 1.369 176 M HN 0.311 nan 8.290 nan 0.000 0.423 177 A N 0.682 123.440 122.820 -0.104 0.000 1.933 177 A HA -0.208 4.113 4.320 0.001 0.000 0.218 177 A C 2.138 179.659 177.584 -0.104 0.000 1.175 177 A CA 1.945 53.911 52.037 -0.117 0.000 0.628 177 A CB -0.680 18.248 19.000 -0.118 0.000 0.814 177 A HN 0.467 nan 8.150 nan 0.000 0.444 178 K N -0.291 120.062 120.400 -0.078 0.000 2.009 178 K HA -0.236 4.084 4.320 0.001 0.000 0.210 178 K C 1.359 177.922 176.600 -0.063 0.000 1.049 178 K CA 1.957 58.215 56.287 -0.048 0.000 0.929 178 K CB -0.284 32.199 32.500 -0.028 0.000 0.714 178 K HN 0.376 nan 8.250 nan 0.000 0.440 179 D N 0.652 121.005 120.400 -0.079 0.000 2.144 179 D HA -0.142 4.499 4.640 0.001 0.000 0.199 179 D C 2.020 178.254 176.300 -0.110 0.000 0.984 179 D CA 0.755 54.705 54.000 -0.084 0.000 0.834 179 D CB -0.166 40.587 40.800 -0.080 0.000 0.955 179 D HN 0.121 nan 8.370 nan 0.000 0.465 180 L N 1.123 122.258 121.223 -0.146 0.000 1.970 180 L HA -0.136 4.204 4.340 0.001 0.000 0.212 180 L C 2.409 179.130 176.870 -0.248 0.000 1.071 180 L CA 1.727 56.426 54.840 -0.236 0.000 0.751 180 L CB -0.901 40.968 42.059 -0.317 0.000 0.889 180 L HN -0.032 nan 8.230 nan 0.000 0.432 181 A N -1.310 121.394 122.820 -0.195 0.000 1.933 181 A HA -0.206 4.114 4.320 0.001 0.000 0.218 181 A C 2.196 179.722 177.584 -0.096 0.000 1.175 181 A CA 1.706 53.657 52.037 -0.143 0.000 0.628 181 A CB -0.507 18.430 19.000 -0.104 0.000 0.814 181 A HN 0.533 nan 8.150 nan 0.000 0.444 182 E N -0.956 119.193 120.200 -0.085 0.000 2.216 182 E HA -0.111 4.240 4.350 0.001 0.000 0.192 182 E C 1.265 177.814 176.600 -0.085 0.000 0.988 182 E CA 0.837 57.190 56.400 -0.078 0.000 0.834 182 E CB -0.063 29.593 29.700 -0.073 0.000 0.772 182 E HN 0.601 nan 8.360 nan 0.000 0.479 183 N N 0.400 119.047 118.700 -0.089 0.000 2.280 183 N HA 0.010 4.751 4.740 0.001 0.000 0.192 183 N C -0.813 174.649 175.510 -0.080 0.000 1.109 183 N CA 0.135 53.135 53.050 -0.083 0.000 0.855 183 N CB 0.520 38.962 38.487 -0.075 0.000 0.974 183 N HN -0.049 nan 8.380 nan 0.000 0.482 184 N N 0.911 119.563 118.700 -0.078 0.000 2.617 184 N HA 0.086 4.827 4.740 0.001 0.000 0.263 184 N C -1.161 174.331 175.510 -0.030 0.000 1.074 184 N CA -0.400 52.621 53.050 -0.047 0.000 0.841 184 N CB 1.658 40.135 38.487 -0.017 0.000 1.221 184 N HN 0.168 nan 8.380 nan 0.000 0.529 185 R N 0.644 121.122 120.500 -0.037 0.000 2.504 185 R HA 0.060 4.400 4.340 0.001 0.000 0.291 185 R C 1.111 177.417 176.300 0.010 0.000 0.974 185 R CA 1.665 57.752 56.100 -0.021 0.000 1.077 185 R CB -0.021 30.259 30.300 -0.032 0.000 0.926 185 R HN 0.816 nan 8.270 nan 0.000 0.407 186 G N 2.105 110.918 108.800 0.022 0.000 2.179 186 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 186 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 186 G C 0.153 175.097 174.900 0.073 0.000 0.977 186 G CA 0.162 45.293 45.100 0.050 0.000 0.641 186 G HN 0.957 nan 8.290 nan 0.000 0.533 187 A N 0.303 123.159 122.820 0.060 0.000 2.477 187 A HA 0.640 4.961 4.320 0.001 0.000 0.246 187 A C 0.651 178.262 177.584 0.045 0.000 1.078 187 A CA 0.370 52.461 52.037 0.089 0.000 0.770 187 A CB 0.293 19.306 19.000 0.022 0.000 1.011 187 A HN 0.354 nan 8.150 nan 0.000 0.494 188 R N 2.272 122.811 120.500 0.065 0.000 2.468 188 R HA 0.383 4.723 4.340 0.001 0.000 0.302 188 R C -1.489 174.755 176.300 -0.094 0.000 1.041 188 R CA -0.495 55.568 56.100 -0.062 0.000 0.899 188 R CB 1.366 31.641 30.300 -0.043 0.000 1.167 188 R HN 0.462 nan 8.270 nan 0.000 0.483 189 V N 4.686 124.510 119.914 -0.150 0.000 2.383 189 V HA 0.254 4.374 4.120 0.001 0.000 0.275 189 V C 0.132 176.109 176.094 -0.195 0.000 1.036 189 V CA -0.876 61.350 62.300 -0.123 0.000 0.889 189 V CB 1.488 33.226 31.823 -0.141 0.000 0.985 189 V HN 0.441 nan 8.190 nan 0.000 0.459 190 L N 7.668 128.802 121.223 -0.148 0.000 2.260 190 L HA 0.541 4.881 4.340 0.001 0.000 0.289 190 L C -0.283 176.517 176.870 -0.117 0.000 1.057 190 L CA 0.386 55.128 54.840 -0.163 0.000 0.811 190 L CB 1.217 43.207 42.059 -0.116 0.000 1.184 190 L HN 0.432 nan 8.230 nan 0.000 0.429 191 V N 7.160 126.981 119.914 -0.156 0.000 2.417 191 V HA 0.539 4.659 4.120 0.001 0.000 0.291 191 V C 0.075 176.073 176.094 -0.160 0.000 1.024 191 V CA -0.407 61.798 62.300 -0.159 0.000 0.861 191 V CB 1.473 33.167 31.823 -0.215 0.000 0.985 191 V HN 0.649 nan 8.190 nan 0.000 0.436 192 I N 3.706 124.191 120.570 -0.142 0.000 2.619 192 I HA 0.499 4.670 4.170 0.001 0.000 0.292 192 I C -0.922 175.000 176.117 -0.326 0.000 1.100 192 I CA -0.246 60.958 61.300 -0.160 0.000 1.043 192 I CB 2.275 40.264 38.000 -0.018 0.000 1.239 192 I HN 0.509 nan 8.210 nan 0.000 0.420 193 C N 3.538 122.706 119.300 -0.220 0.000 2.340 193 C HA 0.639 5.099 4.460 0.001 0.000 0.323 193 C C 0.165 175.043 174.990 -0.187 0.000 1.260 193 C CA -0.554 58.312 59.018 -0.253 0.000 1.464 193 C CB 0.996 28.697 27.740 -0.065 0.000 2.156 193 C HN 0.750 nan 8.230 nan 0.000 0.476 194 S N 3.321 118.863 115.700 -0.264 0.000 2.707 194 S HA 0.581 5.051 4.470 0.001 0.000 0.303 194 S C -1.024 173.550 174.600 -0.043 0.000 1.132 194 S CA -0.319 57.835 58.200 -0.076 0.000 1.046 194 S CB 0.396 63.625 63.200 0.048 0.000 1.004 194 S HN 0.759 nan 8.310 nan 0.000 0.483 195 E N 2.113 122.302 120.200 -0.019 0.000 2.288 195 E HA 0.554 4.905 4.350 0.001 0.000 0.268 195 E C -0.833 175.776 176.600 0.015 0.000 0.885 195 E CA -0.702 55.685 56.400 -0.022 0.000 0.767 195 E CB 2.076 31.736 29.700 -0.066 0.000 1.220 195 E HN 0.533 nan 8.360 nan 0.000 0.427 196 T N -0.742 113.827 114.554 0.025 0.000 2.982 196 T HA 0.201 4.551 4.350 0.001 0.000 0.321 196 T C 0.435 175.194 174.700 0.098 0.000 1.229 196 T CA -0.398 61.744 62.100 0.070 0.000 1.044 196 T CB 1.098 69.993 68.868 0.044 0.000 1.184 196 T HN 0.457 nan 8.240 nan 0.000 0.477 197 T N 1.450 116.105 114.554 0.169 0.000 3.215 197 T HA 0.224 4.575 4.350 0.001 0.000 0.254 197 T C 2.139 177.004 174.700 0.275 0.000 1.149 197 T CA 0.676 62.918 62.100 0.238 0.000 1.042 197 T CB -0.325 68.738 68.868 0.326 0.000 0.966 197 T HN 0.732 nan 8.240 nan 0.000 0.534 198 A N 0.934 123.887 122.820 0.222 0.000 1.986 198 A HA 0.008 4.329 4.320 0.001 0.000 0.220 198 A C 2.396 180.095 177.584 0.192 0.000 1.171 198 A CA 1.550 53.721 52.037 0.223 0.000 0.640 198 A CB -0.869 18.220 19.000 0.149 0.000 0.811 198 A HN 0.504 nan 8.150 nan 0.000 0.451 199 V N -0.194 119.816 119.914 0.160 0.000 3.590 199 V HA -0.013 4.107 4.120 0.001 0.000 0.265 199 V C 2.147 178.359 176.094 0.197 0.000 1.239 199 V CA 2.154 64.540 62.300 0.143 0.000 1.117 199 V CB -0.082 31.793 31.823 0.087 0.000 0.818 199 V HN 0.823 nan 8.190 nan 0.000 0.451 200 T N -3.356 111.359 114.554 0.268 0.000 2.969 200 T HA 0.199 4.550 4.350 0.001 0.000 0.250 200 T C 0.545 175.519 174.700 0.455 0.000 1.021 200 T CA -0.181 62.141 62.100 0.369 0.000 1.003 200 T CB -0.275 68.805 68.868 0.353 0.000 1.040 200 T HN 0.234 nan 8.240 nan 0.000 0.492 201 F N 4.948 125.064 119.950 0.275 0.000 2.578 201 F HA 0.445 4.973 4.527 0.001 0.000 0.376 201 F C 0.519 176.459 175.800 0.234 0.000 1.085 201 F CA -0.802 57.363 58.000 0.276 0.000 1.260 201 F CB 0.386 39.541 39.000 0.259 0.000 1.095 201 F HN 0.426 nan 8.300 nan 0.000 0.573 202 R N 3.931 124.374 120.500 -0.096 0.000 2.712 202 R HA 0.595 4.935 4.340 0.001 0.000 0.272 202 R C -0.672 175.535 176.300 -0.155 0.000 1.032 202 R CA -0.820 55.294 56.100 0.024 0.000 0.874 202 R CB 0.281 30.628 30.300 0.079 0.000 1.256 202 R HN 0.850 nan 8.270 nan 0.000 0.468 203 G N 1.151 109.912 108.800 -0.065 0.000 2.664 203 G HA2 0.356 4.316 3.960 0.001 0.000 0.242 203 G HA3 0.356 4.316 3.960 0.001 0.000 0.242 203 G C -2.132 172.668 174.900 -0.167 0.000 1.225 203 G CA -0.999 43.955 45.100 -0.243 0.000 0.849 203 G HN 0.548 nan 8.290 nan 0.000 0.581 204 P HA 0.265 nan 4.420 nan 0.000 0.281 204 P C -0.746 176.240 177.300 -0.523 0.000 1.249 204 P CA -0.289 62.562 63.100 -0.414 0.000 0.810 204 P CB 1.842 33.175 31.700 -0.611 0.000 1.008 205 S N 0.331 115.675 115.700 -0.594 0.000 2.756 205 S HA 0.422 4.893 4.470 0.001 0.000 0.303 205 S C 1.127 175.519 174.600 -0.347 0.000 1.135 205 S CA -0.105 57.684 58.200 -0.686 0.000 1.066 205 S CB 0.251 62.575 63.200 -1.460 0.000 1.008 205 S HN 0.415 nan 8.310 nan 0.000 0.482 206 E N 2.047 122.090 120.200 -0.261 0.000 2.393 206 E HA -0.108 4.242 4.350 0.001 0.000 0.201 206 E C 1.363 177.887 176.600 -0.126 0.000 1.025 206 E CA 1.713 58.023 56.400 -0.149 0.000 0.856 206 E CB -0.836 28.794 29.700 -0.116 0.000 0.771 206 E HN 0.881 nan 8.360 nan 0.000 0.526 207 T N -3.276 111.174 114.554 -0.173 0.000 3.215 207 T HA 0.319 4.669 4.350 0.001 0.000 0.271 207 T C 0.195 174.614 174.700 -0.468 0.000 1.012 207 T CA -0.392 61.561 62.100 -0.245 0.000 0.899 207 T CB -0.190 68.534 68.868 -0.240 0.000 1.089 207 T HN 0.483 nan 8.240 nan 0.000 0.552 211 S N -0.842 114.886 115.700 0.047 0.000 2.947 211 S HA -0.355 4.116 4.470 0.001 0.000 0.386 211 S C 1.880 176.563 174.600 0.139 0.000 1.575 211 S CA 2.666 60.810 58.200 -0.094 0.000 1.143 211 S CB -1.176 62.012 63.200 -0.020 0.000 1.172 211 S HN 1.461 nan 8.310 nan 0.000 0.471 212 L N 1.909 123.215 121.223 0.138 0.000 2.012 212 L HA -0.046 4.294 4.340 0.001 0.000 0.210 212 L C 2.264 179.279 176.870 0.242 0.000 1.073 212 L CA 1.913 56.867 54.840 0.190 0.000 0.748 212 L CB -0.781 41.392 42.059 0.190 0.000 0.891 212 L HN 0.347 nan 8.230 nan 0.000 0.431 213 V N 0.107 120.126 119.914 0.175 0.000 2.324 213 V HA -0.292 3.829 4.120 0.001 0.000 0.250 213 V C 2.619 178.666 176.094 -0.078 0.000 1.060 213 V CA 1.910 64.253 62.300 0.072 0.000 1.042 213 V CB -1.680 30.177 31.823 0.057 0.000 0.650 213 V HN 0.659 nan 8.190 nan 0.000 0.450 214 G N -0.940 107.814 108.800 -0.076 0.000 2.442 214 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 214 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 214 G C 1.411 175.839 174.900 -0.786 0.000 1.141 214 G CA 0.585 45.158 45.100 -0.878 0.000 0.763 214 G HN 0.480 nan 8.290 nan 0.000 0.554 215 Q N 0.254 119.971 119.800 -0.138 0.000 2.364 215 Q HA 0.066 4.407 4.340 0.001 0.000 0.209 215 Q C 2.587 178.573 176.000 -0.023 0.000 0.977 215 Q CA 1.128 56.872 55.803 -0.099 0.000 0.885 215 Q CB -0.314 28.296 28.738 -0.214 0.000 0.941 215 Q HN 0.532 nan 8.270 nan 0.000 0.464 216 A N -0.621 122.178 122.820 -0.034 0.000 2.095 216 A HA 0.133 4.453 4.320 0.001 0.000 0.212 216 A C 1.879 179.330 177.584 -0.222 0.000 1.162 216 A CA 0.211 52.170 52.037 -0.130 0.000 0.753 216 A CB 0.103 18.903 19.000 -0.333 0.000 0.840 216 A HN 0.276 nan 8.150 nan 0.000 0.468 217 L N -1.686 119.356 121.223 -0.302 0.000 2.388 217 L HA 0.279 4.619 4.340 0.001 0.000 0.209 217 L C -0.134 176.723 176.870 -0.022 0.000 1.061 217 L CA -0.297 54.424 54.840 -0.199 0.000 0.834 217 L CB -0.362 41.586 42.059 -0.185 0.000 1.029 217 L HN 0.153 nan 8.230 nan 0.000 0.473 218 F N 1.713 121.615 119.950 -0.081 0.000 2.538 218 F HA 0.457 4.985 4.527 0.001 0.000 0.371 218 F C 1.003 176.782 175.800 -0.035 0.000 1.087 218 F CA -0.948 57.010 58.000 -0.071 0.000 1.250 218 F CB -0.295 38.642 39.000 -0.104 0.000 1.110 218 F HN -0.152 nan 8.300 nan 0.000 0.570 219 G N 1.681 110.588 108.800 0.177 0.000 2.714 219 G HA2 0.553 4.514 3.960 0.001 0.000 0.292 219 G HA3 0.553 4.514 3.960 0.001 0.000 0.292 219 G C -1.656 173.309 174.900 0.109 0.000 1.308 219 G CA -0.810 44.362 45.100 0.120 0.000 0.964 219 G HN 0.379 nan 8.290 nan 0.000 0.484 220 D N -1.090 119.395 120.400 0.141 0.000 2.198 220 D HA 0.730 5.370 4.640 0.001 0.000 0.247 220 D C 0.447 176.801 176.300 0.090 0.000 1.010 220 D CA 0.466 54.542 54.000 0.125 0.000 0.880 220 D CB 1.795 42.706 40.800 0.184 0.000 1.209 220 D HN 0.844 nan 8.370 nan 0.000 0.451 221 G N -0.962 107.867 108.800 0.049 0.000 2.328 221 G HA2 0.607 4.568 3.960 0.001 0.000 0.299 221 G HA3 0.607 4.568 3.960 0.001 0.000 0.299 221 G C -1.955 172.996 174.900 0.085 0.000 1.435 221 G CA -0.278 44.851 45.100 0.049 0.000 0.865 221 G HN 0.598 nan 8.290 nan 0.000 0.601 222 A N -0.296 122.632 122.820 0.180 0.000 2.486 222 A HA 0.982 5.302 4.320 0.001 0.000 0.300 222 A C -0.020 177.673 177.584 0.181 0.000 1.048 222 A CA 0.258 52.379 52.037 0.140 0.000 0.696 222 A CB 1.701 20.746 19.000 0.075 0.000 1.278 222 A HN 2.288 nan 8.150 nan 0.000 0.405 223 S N 0.430 116.208 115.700 0.131 0.000 2.566 223 S HA 0.933 5.404 4.470 0.001 0.000 0.298 223 S C -0.360 174.205 174.600 -0.058 0.000 1.083 223 S CA -0.108 58.105 58.200 0.022 0.000 0.978 223 S CB 1.901 65.227 63.200 0.210 0.000 1.073 223 S HN 2.268 nan 8.310 nan 0.000 0.491 224 A N 1.821 124.558 122.820 -0.138 0.000 2.486 224 A HA 0.830 5.150 4.320 0.001 0.000 0.300 224 A C -1.201 176.260 177.584 -0.206 0.000 1.048 224 A CA -0.857 51.088 52.037 -0.153 0.000 0.696 224 A CB 1.025 19.965 19.000 -0.100 0.000 1.278 224 A HN 0.894 nan 8.150 nan 0.000 0.405 225 L N 1.941 123.021 121.223 -0.239 0.000 2.376 225 L HA 0.634 4.975 4.340 0.001 0.000 0.258 225 L C -1.087 175.631 176.870 -0.254 0.000 1.013 225 L CA -0.888 53.804 54.840 -0.246 0.000 0.822 225 L CB 2.027 43.900 42.059 -0.311 0.000 1.388 225 L HN 0.466 nan 8.230 nan 0.000 0.413 226 I N 2.419 122.821 120.570 -0.280 0.000 2.389 226 I HA 0.476 4.647 4.170 0.001 0.000 0.288 226 I C -0.445 175.481 176.117 -0.319 0.000 0.999 226 I CA -0.494 60.551 61.300 -0.426 0.000 1.129 226 I CB 1.900 39.464 38.000 -0.727 0.000 1.288 226 I HN 0.184 nan 8.210 nan 0.000 0.444 227 V N 5.068 124.815 119.914 -0.278 0.000 2.604 227 V HA 0.960 5.081 4.120 0.001 0.000 0.305 227 V C 0.243 176.243 176.094 -0.157 0.000 1.043 227 V CA -0.444 61.750 62.300 -0.177 0.000 0.888 227 V CB 1.988 33.725 31.823 -0.143 0.000 0.995 227 V HN 0.955 nan 8.190 nan 0.000 0.429 228 G N 2.246 110.991 108.800 -0.091 0.000 2.667 228 G HA2 0.730 4.691 3.960 0.001 0.000 0.294 228 G HA3 0.730 4.691 3.960 0.001 0.000 0.294 228 G C -1.158 173.739 174.900 -0.005 0.000 1.467 228 G CA -0.023 45.046 45.100 -0.052 0.000 0.852 228 G HN 1.038 nan 8.290 nan 0.000 0.521 229 A N 0.295 123.115 122.820 0.000 0.000 2.282 229 A HA 0.735 5.055 4.320 0.001 0.000 0.319 229 A C 0.039 177.639 177.584 0.027 0.000 1.121 229 A CA 0.132 52.180 52.037 0.018 0.000 0.836 229 A CB 0.308 19.303 19.000 -0.008 0.000 1.146 229 A HN 1.331 nan 8.150 nan 0.000 0.494 230 D N -0.220 120.201 120.400 0.034 0.000 2.828 230 D HA -0.098 4.543 4.640 0.001 0.000 0.241 230 D C -2.313 174.015 176.300 0.047 0.000 1.142 230 D CA 1.209 55.229 54.000 0.033 0.000 0.755 230 D CB -1.543 39.268 40.800 0.018 0.000 1.014 230 D HN 0.491 nan 8.370 nan 0.000 0.420 231 P HA 0.115 nan 4.420 nan 0.000 0.271 231 P C 0.476 177.808 177.300 0.053 0.000 1.216 231 P CA -0.342 62.800 63.100 0.070 0.000 0.776 231 P CB 0.732 32.473 31.700 0.068 0.000 0.881 232 I N 4.891 125.495 120.570 0.057 0.000 2.494 232 I HA 0.071 4.241 4.170 0.001 0.000 0.289 232 I C -1.520 174.607 176.117 0.017 0.000 1.106 232 I CA -1.901 59.417 61.300 0.030 0.000 1.369 232 I CB -0.010 38.001 38.000 0.019 0.000 1.410 232 I HN 0.185 nan 8.210 nan 0.000 0.523 233 P HA -0.053 nan 4.420 nan 0.000 0.265 233 P C -0.335 176.962 177.300 -0.005 0.000 1.193 233 P CA 0.199 63.302 63.100 0.004 0.000 0.765 233 P CB 0.901 32.603 31.700 0.003 0.000 0.823 234 Q N -0.056 119.739 119.800 -0.009 0.000 2.305 234 Q HA -0.179 4.161 4.340 0.001 0.000 0.203 234 Q C 0.777 176.763 176.000 -0.024 0.000 0.663 234 Q CA 1.595 57.388 55.803 -0.017 0.000 1.389 234 Q CB -2.236 26.492 28.738 -0.017 0.000 1.566 234 Q HN 0.382 nan 8.270 nan 0.000 0.755 235 V N -1.434 118.467 119.914 -0.023 0.000 3.054 235 V HA 0.150 4.270 4.120 0.001 0.000 0.227 235 V C 0.592 176.664 176.094 -0.036 0.000 1.252 235 V CA 0.852 63.126 62.300 -0.043 0.000 1.279 235 V CB 0.418 32.210 31.823 -0.051 0.000 1.118 235 V HN 0.182 nan 8.190 nan 0.000 0.504 236 E N 1.007 121.211 120.200 0.007 0.000 2.222 236 E HA 0.474 4.825 4.350 0.001 0.000 0.272 236 E C -0.576 176.058 176.600 0.056 0.000 0.982 236 E CA -0.471 55.970 56.400 0.069 0.000 0.842 236 E CB 1.903 31.697 29.700 0.157 0.000 1.144 236 E HN 0.137 nan 8.360 nan 0.000 0.397 237 K N 1.539 121.979 120.400 0.068 0.000 2.463 237 K HA 0.511 4.831 4.320 0.001 0.000 0.255 237 K C -1.444 175.166 176.600 0.016 0.000 0.942 237 K CA -0.529 55.771 56.287 0.023 0.000 0.814 237 K CB 1.511 34.010 32.500 -0.002 0.000 1.122 237 K HN 0.580 nan 8.250 nan 0.000 0.425 238 A N 2.458 125.273 122.820 -0.008 0.000 2.316 238 A HA 0.333 4.654 4.320 0.001 0.000 0.284 238 A C 0.887 178.405 177.584 -0.110 0.000 1.115 238 A CA -0.579 51.443 52.037 -0.026 0.000 0.812 238 A CB 0.111 19.107 19.000 -0.007 0.000 1.064 238 A HN 1.031 nan 8.150 nan 0.000 0.489 239 C N -1.121 118.081 119.300 -0.162 0.000 3.270 239 C HA 0.734 5.195 4.460 0.001 0.000 0.369 239 C C 0.005 174.500 174.990 -0.825 0.000 1.326 239 C CA -0.517 58.229 59.018 -0.454 0.000 1.846 239 C CB -1.331 26.168 27.740 -0.401 0.000 2.534 239 C HN 0.537 nan 8.230 nan 0.000 0.649 240 F N 0.775 120.707 119.950 -0.031 0.000 2.654 240 F HA 0.562 5.090 4.527 0.001 0.000 0.308 240 F C -0.494 175.298 175.800 -0.014 0.000 1.108 240 F CA -0.535 57.457 58.000 -0.013 0.000 0.957 240 F CB 1.211 40.218 39.000 0.012 0.000 1.309 240 F HN -0.031 nan 8.300 nan 0.000 0.446 241 E N 2.031 122.342 120.200 0.185 0.000 2.199 241 E HA 0.546 4.897 4.350 0.001 0.000 0.269 241 E C -1.100 175.510 176.600 0.017 0.000 0.899 241 E CA -0.708 55.728 56.400 0.060 0.000 0.772 241 E CB 2.512 32.177 29.700 -0.058 0.000 1.155 241 E HN 0.417 nan 8.360 nan 0.000 0.408 242 I N 3.854 124.443 120.570 0.032 0.000 2.281 242 I HA 0.045 4.215 4.170 0.001 0.000 0.293 242 I C 0.987 177.119 176.117 0.025 0.000 1.085 242 I CA -0.175 61.134 61.300 0.015 0.000 1.257 242 I CB 0.640 38.656 38.000 0.027 0.000 1.430 242 I HN 0.426 nan 8.210 nan 0.000 0.489 243 V N 5.795 125.664 119.914 -0.075 0.000 2.379 243 V HA -0.001 4.119 4.120 0.001 0.000 0.243 243 V C 0.190 176.445 176.094 0.267 0.000 1.035 243 V CA 0.882 63.130 62.300 -0.087 0.000 1.035 243 V CB -0.149 31.508 31.823 -0.277 0.000 0.673 243 V HN 0.831 nan 8.190 nan 0.000 0.457 244 W N -0.431 120.856 121.300 -0.021 0.000 3.248 244 W HA 0.523 5.184 4.660 0.001 0.000 0.311 244 W C -0.864 175.601 176.519 -0.090 0.000 1.258 244 W CA 0.033 57.375 57.345 -0.004 0.000 1.191 244 W CB 1.495 30.983 29.460 0.047 0.000 1.389 244 W HN 0.042 nan 8.180 nan 0.000 0.561 245 T N 1.280 115.400 114.554 -0.722 0.000 2.841 245 T HA 0.932 5.283 4.350 0.001 0.000 0.296 245 T C -0.958 172.996 174.700 -1.243 0.000 1.166 245 T CA -0.361 61.307 62.100 -0.720 0.000 1.007 245 T CB 1.600 70.239 68.868 -0.383 0.000 1.253 245 T HN 1.452 nan 8.240 nan 0.000 0.511 246 A N 0.588 122.984 122.820 -0.707 0.000 2.608 246 A HA 0.800 5.120 4.320 0.001 0.000 0.292 246 A C -1.544 175.899 177.584 -0.235 0.000 1.066 246 A CA -0.818 50.910 52.037 -0.515 0.000 0.676 246 A CB 1.898 20.643 19.000 -0.425 0.000 1.277 246 A HN 1.022 nan 8.150 nan 0.000 0.413 247 Q N 0.314 120.010 119.800 -0.173 0.000 2.315 247 Q HA 0.702 5.043 4.340 0.001 0.000 0.273 247 Q C -1.348 174.589 176.000 -0.105 0.000 1.053 247 Q CA -0.309 55.410 55.803 -0.139 0.000 0.817 247 Q CB 2.435 31.074 28.738 -0.166 0.000 1.326 247 Q HN 0.979 nan 8.270 nan 0.000 0.423 248 T N 1.005 115.504 114.554 -0.092 0.000 2.792 248 T HA 0.603 4.953 4.350 0.001 0.000 0.303 248 T C -1.746 172.906 174.700 -0.080 0.000 1.310 248 T CA -0.334 61.728 62.100 -0.064 0.000 1.007 248 T CB 1.757 70.620 68.868 -0.010 0.000 1.335 248 T HN 0.328 nan 8.240 nan 0.000 0.504 249 V N 2.550 122.430 119.914 -0.058 0.000 2.495 249 V HA 0.512 4.632 4.120 0.001 0.000 0.298 249 V C 0.020 176.098 176.094 -0.028 0.000 1.031 249 V CA -0.779 61.489 62.300 -0.054 0.000 0.871 249 V CB 1.803 33.595 31.823 -0.052 0.000 0.988 249 V HN 0.780 nan 8.190 nan 0.000 0.432 250 V N 7.501 127.401 119.914 -0.024 0.000 2.521 250 V HA 0.177 4.298 4.120 0.001 0.000 0.286 250 V C -2.007 174.080 176.094 -0.013 0.000 1.034 250 V CA -1.306 60.982 62.300 -0.019 0.000 1.045 250 V CB 1.037 32.843 31.823 -0.028 0.000 0.974 250 V HN 0.766 nan 8.190 nan 0.000 0.480 251 P HA 0.013 nan 4.420 nan 0.000 0.265 251 P C 0.131 177.429 177.300 -0.003 0.000 1.187 251 P CA 0.171 63.268 63.100 -0.005 0.000 0.766 251 P CB 0.119 31.817 31.700 -0.003 0.000 0.820 252 N N 0.575 119.275 118.700 0.000 0.000 2.689 252 N HA -0.177 4.564 4.740 0.001 0.000 0.263 252 N C -0.247 175.266 175.510 0.005 0.000 0.987 252 N CA 1.406 54.458 53.050 0.004 0.000 0.782 252 N CB -1.500 36.989 38.487 0.003 0.000 0.903 252 N HN 0.546 nan 8.380 nan 0.000 0.547 253 S N -3.175 112.530 115.700 0.008 0.000 3.082 253 S HA 0.204 4.674 4.470 0.001 0.000 0.253 253 S C 0.932 175.546 174.600 0.024 0.000 0.961 253 S CA -0.604 57.603 58.200 0.013 0.000 1.129 253 S CB 0.688 63.891 63.200 0.004 0.000 1.083 253 S HN 0.247 nan 8.310 nan 0.000 0.605 254 E N 2.217 122.431 120.200 0.024 0.000 2.065 254 E HA -0.131 4.220 4.350 0.001 0.000 0.201 254 E C 1.790 178.418 176.600 0.046 0.000 1.016 254 E CA 1.699 58.118 56.400 0.032 0.000 0.818 254 E CB -0.419 29.296 29.700 0.026 0.000 0.749 254 E HN 0.707 nan 8.360 nan 0.000 0.453 255 G N -0.690 108.136 108.800 0.045 0.000 3.233 255 G HA2 0.192 4.152 3.960 0.001 0.000 0.227 255 G HA3 0.192 4.152 3.960 0.001 0.000 0.227 255 G C 1.221 176.162 174.900 0.069 0.000 1.175 255 G CA 0.398 45.532 45.100 0.057 0.000 0.781 255 G HN 0.284 nan 8.290 nan 0.000 0.542 256 A N 0.373 123.231 122.820 0.063 0.000 1.933 256 A HA 0.303 4.624 4.320 0.001 0.000 0.218 256 A C 0.918 178.563 177.584 0.102 0.000 1.175 256 A CA 0.683 52.761 52.037 0.069 0.000 0.628 256 A CB -0.034 18.995 19.000 0.047 0.000 0.814 256 A HN 0.353 nan 8.150 nan 0.000 0.444 257 I N -1.678 118.960 120.570 0.113 0.000 2.548 257 I HA 0.579 4.750 4.170 0.001 0.000 0.287 257 I C -0.011 176.191 176.117 0.142 0.000 1.103 257 I CA -0.377 61.013 61.300 0.149 0.000 1.049 257 I CB 2.179 40.271 38.000 0.153 0.000 1.232 257 I HN 0.207 nan 8.210 nan 0.000 0.429 258 G N 3.195 112.094 108.800 0.166 0.000 2.660 258 G HA2 0.811 4.771 3.960 0.001 0.000 0.290 258 G HA3 0.811 4.771 3.960 0.001 0.000 0.290 258 G C -1.518 173.485 174.900 0.172 0.000 1.432 258 G CA -0.694 44.490 45.100 0.140 0.000 0.807 258 G HN 0.816 nan 8.290 nan 0.000 0.485 259 G N -0.735 108.142 108.800 0.129 0.000 2.704 259 G HA2 0.676 4.636 3.960 0.001 0.000 0.293 259 G HA3 0.676 4.636 3.960 0.001 0.000 0.293 259 G C -1.626 173.325 174.900 0.085 0.000 1.421 259 G CA -0.764 44.419 45.100 0.140 0.000 0.870 259 G HN 0.546 nan 8.290 nan 0.000 0.492 260 K N 0.529 120.972 120.400 0.071 0.000 2.507 260 K HA 0.476 4.796 4.320 0.001 0.000 0.251 260 K C -1.018 175.600 176.600 0.030 0.000 0.943 260 K CA -0.772 55.538 56.287 0.038 0.000 0.794 260 K CB 3.141 35.652 32.500 0.018 0.000 1.188 260 K HN 0.255 nan 8.250 nan 0.000 0.428 261 V N 4.978 124.906 119.914 0.024 0.000 2.372 261 V HA 0.280 4.400 4.120 0.001 0.000 0.261 261 V C 0.195 176.290 176.094 0.001 0.000 1.055 261 V CA -0.229 62.081 62.300 0.016 0.000 0.930 261 V CB -0.043 31.789 31.823 0.014 0.000 1.031 261 V HN 0.619 nan 8.190 nan 0.000 0.479 262 R N 2.929 123.424 120.500 -0.008 0.000 2.987 262 R HA 0.448 4.788 4.340 0.001 0.000 0.248 262 R C 0.940 177.225 176.300 -0.025 0.000 1.264 262 R CA -0.882 55.205 56.100 -0.021 0.000 1.026 262 R CB 0.809 31.087 30.300 -0.037 0.000 1.286 262 R HN 0.546 nan 8.270 nan 0.000 0.483 263 E N 0.523 120.705 120.200 -0.031 0.000 2.265 263 E HA -0.118 4.232 4.350 0.001 0.000 0.196 263 E C 1.278 177.856 176.600 -0.036 0.000 0.996 263 E CA 1.367 57.750 56.400 -0.029 0.000 0.832 263 E CB 0.092 29.774 29.700 -0.029 0.000 0.756 263 E HN 0.348 nan 8.360 nan 0.000 0.491 264 V N -3.104 116.776 119.914 -0.058 0.000 3.514 264 V HA 0.441 4.561 4.120 0.001 0.000 0.301 264 V C 0.769 176.834 176.094 -0.049 0.000 1.346 264 V CA 0.125 62.380 62.300 -0.075 0.000 1.156 264 V CB -0.645 31.086 31.823 -0.153 0.000 1.029 264 V HN 0.252 nan 8.190 nan 0.000 0.428 265 G N 0.760 109.548 108.800 -0.019 0.000 2.512 265 G HA2 -0.091 3.869 3.960 0.001 0.000 0.210 265 G HA3 -0.091 3.869 3.960 0.001 0.000 0.210 265 G C -0.886 174.027 174.900 0.021 0.000 1.295 265 G CA -0.244 44.865 45.100 0.015 0.000 0.934 265 G HN 0.886 nan 8.290 nan 0.000 0.554 266 L N 1.954 123.216 121.223 0.066 0.000 2.261 266 L HA 0.659 4.999 4.340 0.001 0.000 0.289 266 L C 1.261 178.214 176.870 0.138 0.000 1.059 266 L CA 0.592 55.488 54.840 0.093 0.000 0.816 266 L CB 0.519 42.645 42.059 0.112 0.000 1.191 266 L HN 1.209 nan 8.230 nan 0.000 0.431 267 T N 2.034 116.626 114.554 0.064 0.000 2.922 267 T HA 0.720 5.070 4.350 0.001 0.000 0.285 267 T C -0.259 174.508 174.700 0.113 0.000 1.005 267 T CA -0.556 61.536 62.100 -0.012 0.000 1.061 267 T CB 1.137 69.917 68.868 -0.147 0.000 1.007 267 T HN 0.434 nan 8.240 nan 0.000 0.502 268 F N -2.185 117.822 119.950 0.095 0.000 2.629 268 F HA 0.870 5.397 4.527 0.001 0.000 0.316 268 F C -0.515 175.370 175.800 0.141 0.000 1.081 268 F CA -1.423 56.653 58.000 0.126 0.000 0.954 268 F CB 0.995 40.111 39.000 0.193 0.000 1.337 268 F HN 0.836 nan 8.300 nan 0.000 0.474 269 Q N 1.700 121.687 119.800 0.311 0.000 2.347 269 Q HA 0.815 5.155 4.340 0.001 0.000 0.271 269 Q C -2.160 174.026 176.000 0.311 0.000 1.064 269 Q CA -0.837 55.098 55.803 0.220 0.000 0.800 269 Q CB 2.261 31.079 28.738 0.134 0.000 1.304 269 Q HN 0.914 nan 8.270 nan 0.000 0.438 270 L N 2.500 123.890 121.223 0.279 0.000 2.491 270 L HA 0.476 4.817 4.340 0.001 0.000 0.267 270 L C -0.729 176.235 176.870 0.157 0.000 0.971 270 L CA -1.190 53.796 54.840 0.244 0.000 0.857 270 L CB 2.157 44.401 42.059 0.308 0.000 1.226 270 L HN 0.540 nan 8.230 nan 0.000 0.408 271 K N 1.341 121.810 120.400 0.116 0.000 2.118 271 K HA 0.339 4.659 4.320 0.001 0.000 0.264 271 K C 1.102 177.739 176.600 0.062 0.000 1.000 271 K CA -0.294 56.040 56.287 0.078 0.000 0.929 271 K CB 1.480 34.015 32.500 0.059 0.000 1.021 271 K HN 0.690 nan 8.250 nan 0.000 0.463 272 G N 0.674 109.501 108.800 0.046 0.000 2.509 272 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 272 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 272 G C 1.106 176.016 174.900 0.017 0.000 1.124 272 G CA 0.798 45.917 45.100 0.031 0.000 0.776 272 G HN 0.579 nan 8.290 nan 0.000 0.547 273 A N 0.037 122.866 122.820 0.015 0.000 2.235 273 A HA 0.344 4.665 4.320 0.001 0.000 0.208 273 A C 2.354 179.930 177.584 -0.012 0.000 1.172 273 A CA 0.758 52.795 52.037 0.000 0.000 0.786 273 A CB -0.120 18.881 19.000 0.003 0.000 0.804 273 A HN 0.178 nan 8.150 nan 0.000 0.479 274 V N 0.916 120.829 119.914 -0.002 0.000 2.252 274 V HA -0.214 3.907 4.120 0.001 0.000 0.249 274 V C 0.015 176.065 176.094 -0.074 0.000 1.056 274 V CA 2.775 65.062 62.300 -0.022 0.000 1.022 274 V CB -1.424 30.409 31.823 0.017 0.000 0.641 274 V HN 0.386 nan 8.190 nan 0.000 0.445 275 P HA -0.168 nan 4.420 nan 0.000 0.215 275 P C 1.332 178.572 177.300 -0.101 0.000 1.157 275 P CA 1.880 64.926 63.100 -0.089 0.000 0.874 275 P CB -0.024 31.646 31.700 -0.050 0.000 0.790 276 D N -0.995 119.364 120.400 -0.068 0.000 2.117 276 D HA -0.127 4.513 4.640 0.001 0.000 0.197 276 D C 1.858 178.114 176.300 -0.074 0.000 0.987 276 D CA 1.029 54.992 54.000 -0.060 0.000 0.829 276 D CB -0.716 40.062 40.800 -0.037 0.000 0.961 276 D HN 0.013 nan 8.370 nan 0.000 0.460 277 L N 0.007 121.184 121.223 -0.077 0.000 2.017 277 L HA -0.149 4.192 4.340 0.001 0.000 0.208 277 L C 2.601 179.393 176.870 -0.131 0.000 1.073 277 L CA 0.847 55.638 54.840 -0.081 0.000 0.745 277 L CB -0.388 41.632 42.059 -0.064 0.000 0.894 277 L HN 0.155 nan 8.230 nan 0.000 0.432 278 I N -0.374 120.069 120.570 -0.211 0.000 2.113 278 I HA -0.295 3.875 4.170 0.001 0.000 0.238 278 I C 2.809 178.765 176.117 -0.268 0.000 1.070 278 I CA 1.673 62.764 61.300 -0.349 0.000 1.332 278 I CB -0.464 37.134 38.000 -0.670 0.000 1.044 278 I HN 0.340 nan 8.210 nan 0.000 0.402 279 S N 1.416 116.988 115.700 -0.213 0.000 2.419 279 S HA -0.147 4.324 4.470 0.001 0.000 0.235 279 S C 2.076 176.623 174.600 -0.088 0.000 1.019 279 S CA 0.962 59.078 58.200 -0.139 0.000 0.982 279 S CB -0.568 62.572 63.200 -0.101 0.000 0.789 279 S HN 0.428 nan 8.310 nan 0.000 0.490 280 A N 1.679 124.450 122.820 -0.080 0.000 2.119 280 A HA 0.184 4.504 4.320 0.001 0.000 0.216 280 A C 1.671 179.234 177.584 -0.036 0.000 1.152 280 A CA 1.087 53.098 52.037 -0.045 0.000 0.708 280 A CB -0.430 18.547 19.000 -0.038 0.000 0.805 280 A HN 0.629 nan 8.150 nan 0.000 0.460 281 N N -1.621 117.043 118.700 -0.060 0.000 2.171 281 N HA 0.155 4.896 4.740 0.001 0.000 0.212 281 N C 1.005 176.489 175.510 -0.043 0.000 1.184 281 N CA -0.108 52.919 53.050 -0.038 0.000 0.888 281 N CB 0.221 38.683 38.487 -0.041 0.000 1.038 281 N HN 0.301 nan 8.380 nan 0.000 0.517 282 I N 1.432 121.948 120.570 -0.089 0.000 2.361 282 I HA -0.181 3.989 4.170 0.001 0.000 0.251 282 I C 2.156 178.248 176.117 -0.042 0.000 1.133 282 I CA 1.296 62.518 61.300 -0.131 0.000 1.413 282 I CB 0.022 37.906 38.000 -0.193 0.000 1.073 282 I HN 0.090 nan 8.210 nan 0.000 0.424 283 E N 0.610 120.818 120.200 0.013 0.000 2.077 283 E HA -0.246 4.104 4.350 0.001 0.000 0.193 283 E C 1.920 178.578 176.600 0.096 0.000 0.989 283 E CA 1.788 58.237 56.400 0.082 0.000 0.800 283 E CB -0.315 29.473 29.700 0.146 0.000 0.746 283 E HN 0.503 nan 8.360 nan 0.000 0.452 284 N N -0.567 118.180 118.700 0.079 0.000 2.120 284 N HA -0.151 4.589 4.740 0.001 0.000 0.188 284 N C 1.696 177.265 175.510 0.100 0.000 1.024 284 N CA 1.529 54.631 53.050 0.087 0.000 0.852 284 N CB -0.576 37.950 38.487 0.064 0.000 1.003 284 N HN 0.267 nan 8.380 nan 0.000 0.424 285 C N 0.166 119.532 119.300 0.110 0.000 2.429 285 C HA -0.023 4.438 4.460 0.001 0.000 0.277 285 C C 2.599 177.694 174.990 0.175 0.000 1.262 285 C CA 0.512 59.646 59.018 0.193 0.000 1.733 285 C CB -0.796 27.132 27.740 0.314 0.000 2.010 285 C HN 0.451 nan 8.230 nan 0.000 0.483 286 M N 0.535 120.190 119.600 0.091 0.000 2.117 286 M HA -0.094 4.386 4.480 0.001 0.000 0.262 286 M C 2.217 178.545 176.300 0.047 0.000 1.065 286 M CA 1.553 56.793 55.300 -0.100 0.000 1.114 286 M CB -1.504 30.595 32.600 -0.836 0.000 1.361 286 M HN 0.269 nan 8.290 nan 0.000 0.408 287 V N 0.240 120.244 119.914 0.149 0.000 2.307 287 V HA -0.232 3.888 4.120 0.001 0.000 0.245 287 V C 2.421 178.565 176.094 0.082 0.000 1.045 287 V CA 2.084 64.526 62.300 0.237 0.000 1.024 287 V CB -0.883 31.072 31.823 0.220 0.000 0.651 287 V HN 0.390 nan 8.190 nan 0.000 0.449 288 E N 0.987 121.212 120.200 0.043 0.000 2.118 288 E HA -0.196 4.155 4.350 0.001 0.000 0.195 288 E C 1.992 178.434 176.600 -0.263 0.000 0.992 288 E CA 1.841 58.231 56.400 -0.017 0.000 0.804 288 E CB -0.370 29.389 29.700 0.098 0.000 0.741 288 E HN 0.539 nan 8.360 nan 0.000 0.458 289 A N -1.045 121.564 122.820 -0.352 0.000 1.903 289 A HA 0.074 4.394 4.320 0.001 0.000 0.213 289 A C 1.679 178.648 177.584 -1.025 0.000 1.185 289 A CA 0.859 52.295 52.037 -1.002 0.000 0.628 289 A CB -0.374 18.192 19.000 -0.722 0.000 0.830 289 A HN 0.318 nan 8.150 nan 0.000 0.446 290 F N -0.212 119.611 119.950 -0.211 0.000 2.731 290 F HA 0.135 4.662 4.527 0.000 0.000 0.298 290 F C 2.399 178.186 175.800 -0.022 0.000 1.106 290 F CA 0.569 58.570 58.000 0.002 0.000 1.329 290 F CB 0.002 39.127 39.000 0.209 0.000 1.100 290 F HN 0.059 nan 8.300 nan 0.000 0.592 291 S N 0.409 116.136 115.700 0.045 0.000 2.383 291 S HA -0.270 4.200 4.470 0.001 0.000 0.229 291 S C 2.124 176.652 174.600 -0.120 0.000 1.030 291 S CA 1.657 59.864 58.200 0.012 0.000 1.002 291 S CB -0.540 62.655 63.200 -0.009 0.000 0.829 291 S HN 0.616 nan 8.310 nan 0.000 0.467 292 Q N -0.088 119.491 119.800 -0.368 0.000 2.439 292 Q HA -0.020 4.321 4.340 0.001 0.000 0.211 292 Q C 0.835 176.536 176.000 -0.498 0.000 0.978 292 Q CA 1.205 56.697 55.803 -0.519 0.000 0.897 292 Q CB -0.446 27.788 28.738 -0.839 0.000 0.956 292 Q HN 0.614 nan 8.270 nan 0.000 0.483 293 F N 0.255 120.173 119.950 -0.052 0.000 2.653 293 F HA 0.344 4.871 4.527 0.001 0.000 0.304 293 F C 1.077 176.902 175.800 0.043 0.000 1.092 293 F CA 0.095 58.097 58.000 0.004 0.000 1.279 293 F CB 0.829 39.858 39.000 0.048 0.000 1.044 293 F HN 0.062 nan 8.300 nan 0.000 0.564 294 K N 1.232 121.723 120.400 0.150 0.000 3.129 294 K HA -0.233 4.087 4.320 0.001 0.000 0.273 294 K C -0.339 176.331 176.600 0.118 0.000 1.123 294 K CA 1.376 57.726 56.287 0.104 0.000 0.800 294 K CB -3.095 29.452 32.500 0.078 0.000 1.238 294 K HN 0.524 nan 8.250 nan 0.000 0.492 295 I N 0.710 121.395 120.570 0.190 0.000 2.406 295 I HA 0.435 4.605 4.170 0.001 0.000 0.290 295 I C 1.191 177.371 176.117 0.104 0.000 0.999 295 I CA -0.052 61.335 61.300 0.145 0.000 1.124 295 I CB 2.346 40.467 38.000 0.201 0.000 1.289 295 I HN 0.434 nan 8.210 nan 0.000 0.441 296 S N 1.525 117.127 115.700 -0.163 0.000 2.728 296 S HA 0.142 4.613 4.470 0.001 0.000 0.257 296 S C 0.036 174.010 174.600 -1.042 0.000 1.060 296 S CA -0.395 57.473 58.200 -0.553 0.000 1.126 296 S CB 0.275 63.293 63.200 -0.302 0.000 1.099 296 S HN 0.593 nan 8.310 nan 0.000 0.617 297 D N 1.081 121.138 120.400 -0.572 0.000 2.443 297 D HA 0.303 4.944 4.640 0.001 0.000 0.221 297 D C 0.102 176.297 176.300 -0.175 0.000 1.097 297 D CA -0.716 53.017 54.000 -0.444 0.000 0.865 297 D CB 0.364 41.047 40.800 -0.196 0.000 1.034 297 D HN 0.402 nan 8.370 nan 0.000 0.511 298 W N 2.594 123.925 121.300 0.051 0.000 2.421 298 W HA -0.072 4.588 4.660 0.001 0.000 0.270 298 W C 1.495 178.144 176.519 0.217 0.000 1.233 298 W CA -0.207 57.229 57.345 0.151 0.000 1.226 298 W CB -0.116 29.520 29.460 0.292 0.000 1.121 298 W HN 0.383 nan 8.180 nan 0.000 0.579 299 N N 0.379 119.241 118.700 0.270 0.000 2.521 299 N HA -0.038 4.702 4.740 0.001 0.000 0.188 299 N C 1.184 176.790 175.510 0.160 0.000 1.146 299 N CA 0.417 53.583 53.050 0.194 0.000 0.893 299 N CB -0.057 38.483 38.487 0.088 0.000 0.975 299 N HN 0.120 nan 8.380 nan 0.000 0.451 300 K N 0.266 120.743 120.400 0.129 0.000 2.404 300 K HA 0.193 4.513 4.320 0.001 0.000 0.194 300 K C -0.292 176.351 176.600 0.073 0.000 1.023 300 K CA 0.225 56.559 56.287 0.077 0.000 1.094 300 K CB 0.452 32.965 32.500 0.023 0.000 0.841 300 K HN 0.123 nan 8.250 nan 0.000 0.523 301 L N 0.630 121.916 121.223 0.106 0.000 2.319 301 L HA 0.480 4.820 4.340 0.001 0.000 0.267 301 L C -0.206 176.759 176.870 0.158 0.000 1.011 301 L CA -1.565 53.251 54.840 -0.040 0.000 0.818 301 L CB 0.926 42.751 42.059 -0.389 0.000 1.316 301 L HN -0.090 nan 8.230 nan 0.000 0.432 302 F N -1.404 118.575 119.950 0.048 0.000 2.397 302 F HA 0.662 5.190 4.527 0.001 0.000 0.331 302 F C -1.050 174.776 175.800 0.044 0.000 1.090 302 F CA -1.001 57.086 58.000 0.146 0.000 1.065 302 F CB 0.533 39.602 39.000 0.114 0.000 1.184 302 F HN 0.194 nan 8.300 nan 0.000 0.499 303 W N 2.116 123.537 121.300 0.202 0.000 2.689 303 W HA 0.713 5.373 4.660 0.000 0.000 0.340 303 W C -1.527 175.076 176.519 0.140 0.000 1.060 303 W CA -1.066 56.344 57.345 0.108 0.000 1.218 303 W CB 2.188 31.715 29.460 0.112 0.000 1.410 303 W HN 0.404 nan 8.180 nan 0.000 0.528 304 V N 3.821 123.890 119.914 0.258 0.000 2.532 304 V HA 0.451 4.571 4.120 0.001 0.000 0.294 304 V C -0.974 175.240 176.094 0.199 0.000 1.036 304 V CA -0.945 61.462 62.300 0.178 0.000 0.876 304 V CB 1.394 33.242 31.823 0.041 0.000 1.012 304 V HN 0.286 nan 8.190 nan 0.000 0.432 305 V N 3.360 123.415 119.914 0.235 0.000 2.540 305 V HA 0.389 4.510 4.120 0.001 0.000 0.302 305 V C -0.144 176.016 176.094 0.110 0.000 1.035 305 V CA -0.952 61.484 62.300 0.227 0.000 0.873 305 V CB 1.841 33.876 31.823 0.353 0.000 0.992 305 V HN 0.980 nan 8.190 nan 0.000 0.428 306 H N 7.854 126.866 119.070 -0.097 0.000 3.145 306 H HA 0.121 4.678 4.556 0.001 0.000 0.288 306 H C -1.997 173.394 175.328 0.106 0.000 0.969 306 H CA -1.198 54.813 56.048 -0.062 0.000 1.444 306 H CB 1.010 30.669 29.762 -0.173 0.000 1.500 306 H HN 0.389 nan 8.280 nan 0.000 0.552 307 P HA 0.086 nan 4.420 nan 0.000 0.220 307 P C 0.900 177.979 177.300 -0.368 0.000 1.806 307 P CA 0.151 63.096 63.100 -0.258 0.000 0.976 307 P CB 0.038 31.659 31.700 -0.131 0.000 1.952 308 G N 1.007 109.622 108.800 -0.307 0.000 2.432 308 G HA2 0.089 4.049 3.960 0.001 0.000 0.219 308 G HA3 0.089 4.049 3.960 0.001 0.000 0.219 308 G C 0.700 175.632 174.900 0.054 0.000 1.135 308 G CA 0.594 45.688 45.100 -0.010 0.000 0.767 308 G HN 0.644 nan 8.290 nan 0.000 0.550 309 G N -2.281 106.535 108.800 0.028 0.000 2.579 309 G HA2 0.392 4.352 3.960 0.001 0.000 0.292 309 G HA3 0.392 4.352 3.960 0.001 0.000 0.292 309 G C 0.262 175.166 174.900 0.007 0.000 1.484 309 G CA -0.050 45.059 45.100 0.016 0.000 0.813 309 G HN 0.050 nan 8.290 nan 0.000 0.515 310 R N 0.427 120.921 120.500 -0.009 0.000 2.096 310 R HA -0.151 4.189 4.340 0.001 0.000 0.240 310 R C 2.752 179.048 176.300 -0.007 0.000 1.139 310 R CA 2.518 58.612 56.100 -0.010 0.000 0.952 310 R CB -0.431 29.856 30.300 -0.022 0.000 0.854 310 R HN 0.673 nan 8.270 nan 0.000 0.436 311 A N 1.029 123.842 122.820 -0.010 0.000 1.940 311 A HA -0.160 4.160 4.320 0.001 0.000 0.219 311 A C 2.185 179.758 177.584 -0.019 0.000 1.176 311 A CA 1.456 53.484 52.037 -0.015 0.000 0.631 311 A CB -0.486 18.504 19.000 -0.015 0.000 0.814 311 A HN 0.375 nan 8.150 nan 0.000 0.446 312 I N -0.348 120.215 120.570 -0.011 0.000 2.179 312 I HA -0.276 3.894 4.170 0.001 0.000 0.242 312 I C 2.370 178.485 176.117 -0.004 0.000 1.088 312 I CA 1.295 62.579 61.300 -0.027 0.000 1.357 312 I CB -0.432 37.571 38.000 0.005 0.000 1.051 312 I HN 0.309 nan 8.210 nan 0.000 0.409 313 L N 0.220 121.460 121.223 0.030 0.000 2.046 313 L HA -0.236 4.104 4.340 0.001 0.000 0.208 313 L C 2.192 179.055 176.870 -0.011 0.000 1.077 313 L CA 1.271 56.130 54.840 0.032 0.000 0.747 313 L CB -0.856 41.226 42.059 0.038 0.000 0.896 313 L HN 0.259 nan 8.230 nan 0.000 0.432 314 D N -0.159 120.231 120.400 -0.017 0.000 2.097 314 D HA -0.132 4.508 4.640 0.001 0.000 0.195 314 D C 2.417 178.694 176.300 -0.038 0.000 0.989 314 D CA 0.944 54.928 54.000 -0.028 0.000 0.827 314 D CB -0.172 40.614 40.800 -0.023 0.000 0.966 314 D HN 0.126 nan 8.370 nan 0.000 0.456 315 R N 0.530 121.006 120.500 -0.040 0.000 2.092 315 R HA -0.015 4.326 4.340 0.001 0.000 0.231 315 R C 2.401 178.666 176.300 -0.059 0.000 1.119 315 R CA 0.285 56.356 56.100 -0.048 0.000 0.970 315 R CB -0.950 29.316 30.300 -0.056 0.000 0.864 315 R HN 0.185 nan 8.270 nan 0.000 0.440 316 V N 1.173 121.048 119.914 -0.065 0.000 2.307 316 V HA -0.208 3.913 4.120 0.001 0.000 0.245 316 V C 2.464 178.490 176.094 -0.113 0.000 1.045 316 V CA 1.817 64.069 62.300 -0.079 0.000 1.024 316 V CB -0.459 31.340 31.823 -0.040 0.000 0.651 316 V HN 0.368 nan 8.190 nan 0.000 0.449 317 E N 0.269 120.397 120.200 -0.120 0.000 2.049 317 E HA -0.274 4.077 4.350 0.001 0.000 0.198 317 E C 2.228 178.772 176.600 -0.094 0.000 1.007 317 E CA 1.681 57.992 56.400 -0.148 0.000 0.809 317 E CB -0.254 29.380 29.700 -0.110 0.000 0.749 317 E HN 0.554 nan 8.360 nan 0.000 0.450 318 A N 0.991 123.775 122.820 -0.060 0.000 1.877 318 A HA -0.205 4.115 4.320 0.001 0.000 0.216 318 A C 2.104 179.677 177.584 -0.018 0.000 1.186 318 A CA 1.927 53.943 52.037 -0.035 0.000 0.620 318 A CB -0.487 18.496 19.000 -0.028 0.000 0.822 318 A HN 0.148 nan 8.150 nan 0.000 0.443 319 K N 0.010 120.399 120.400 -0.018 0.000 2.063 319 K HA -0.003 4.317 4.320 0.001 0.000 0.208 319 K C 1.357 177.990 176.600 0.054 0.000 1.048 319 K CA 1.508 57.800 56.287 0.009 0.000 0.928 319 K CB -0.438 32.059 32.500 -0.006 0.000 0.713 319 K HN 0.456 nan 8.250 nan 0.000 0.442 320 L N 0.533 121.787 121.223 0.051 0.000 2.628 320 L HA 0.144 4.485 4.340 0.001 0.000 0.229 320 L C -0.200 176.757 176.870 0.144 0.000 1.137 320 L CA -0.190 54.756 54.840 0.176 0.000 0.909 320 L CB -0.280 41.871 42.059 0.153 0.000 1.137 320 L HN 0.252 nan 8.230 nan 0.000 0.470 321 N N 1.330 120.054 118.700 0.040 0.000 2.727 321 N HA -0.171 4.569 4.740 0.001 0.000 0.249 321 N C -0.227 175.276 175.510 -0.011 0.000 1.048 321 N CA 0.721 53.778 53.050 0.011 0.000 0.714 321 N CB -1.238 37.262 38.487 0.021 0.000 0.959 321 N HN 0.334 nan 8.380 nan 0.000 0.544 322 L N 0.726 121.901 121.223 -0.079 0.000 2.397 322 L HA 0.125 4.466 4.340 0.001 0.000 0.271 322 L C 1.027 177.840 176.870 -0.095 0.000 1.148 322 L CA -0.534 54.218 54.840 -0.147 0.000 0.825 322 L CB 0.385 42.211 42.059 -0.389 0.000 1.117 322 L HN 0.186 nan 8.230 nan 0.000 0.456 323 D N 1.479 121.843 120.400 -0.059 0.000 2.339 323 D HA 0.183 4.824 4.640 0.001 0.000 0.245 323 D C -1.337 174.942 176.300 -0.035 0.000 1.115 323 D CA -1.089 52.893 54.000 -0.030 0.000 0.917 323 D CB 0.461 41.260 40.800 -0.001 0.000 1.192 323 D HN 0.366 nan 8.370 nan 0.000 0.428 324 P HA -0.282 nan 4.420 nan 0.000 0.219 324 P C 1.337 178.640 177.300 0.005 0.000 1.145 324 P CA 2.556 65.650 63.100 -0.011 0.000 0.813 324 P CB -0.480 31.219 31.700 -0.001 0.000 0.771 325 T N -4.412 110.152 114.554 0.017 0.000 3.043 325 T HA -0.034 4.316 4.350 0.001 0.000 0.263 325 T C 1.778 176.516 174.700 0.063 0.000 1.094 325 T CA 1.117 63.243 62.100 0.044 0.000 1.127 325 T CB -0.339 68.561 68.868 0.054 0.000 0.905 325 T HN 0.161 nan 8.240 nan 0.000 0.490 326 K N 1.750 122.171 120.400 0.035 0.000 2.032 326 K HA 0.102 4.422 4.320 0.001 0.000 0.209 326 K C 1.895 178.555 176.600 0.099 0.000 1.048 326 K CA 0.998 57.320 56.287 0.058 0.000 0.927 326 K CB -0.708 31.694 32.500 -0.164 0.000 0.712 326 K HN 0.437 nan 8.250 nan 0.000 0.441 327 L N 0.988 122.233 121.223 0.036 0.000 2.653 327 L HA 0.168 4.508 4.340 0.001 0.000 0.231 327 L C 1.848 178.776 176.870 0.098 0.000 1.153 327 L CA -0.258 54.629 54.840 0.078 0.000 0.933 327 L CB -0.196 41.879 42.059 0.027 0.000 1.175 327 L HN 0.038 nan 8.230 nan 0.000 0.473 328 I N 1.149 121.778 120.570 0.099 0.000 2.099 328 I HA -0.205 3.965 4.170 0.001 0.000 0.239 328 I C -0.186 176.020 176.117 0.148 0.000 1.066 328 I CA 1.678 63.044 61.300 0.110 0.000 1.324 328 I CB -1.102 36.956 38.000 0.095 0.000 1.037 328 I HN 0.243 nan 8.210 nan 0.000 0.401 329 P HA -0.122 nan 4.420 nan 0.000 0.216 329 P C 1.623 179.032 177.300 0.182 0.000 1.150 329 P CA 1.518 64.700 63.100 0.136 0.000 0.837 329 P CB -0.074 31.696 31.700 0.117 0.000 0.786 330 T N -0.693 113.963 114.554 0.170 0.000 2.708 330 T HA -0.113 4.237 4.350 0.001 0.000 0.266 330 T C 1.792 176.578 174.700 0.143 0.000 1.037 330 T CA 1.226 63.420 62.100 0.156 0.000 1.146 330 T CB -0.491 68.468 68.868 0.151 0.000 0.865 330 T HN 0.144 nan 8.240 nan 0.000 0.435 331 R N -0.001 120.577 120.500 0.129 0.000 2.148 331 R HA -0.054 4.286 4.340 0.001 0.000 0.227 331 R C 2.454 178.825 176.300 0.118 0.000 1.103 331 R CA 0.881 57.038 56.100 0.096 0.000 0.983 331 R CB -0.356 29.985 30.300 0.069 0.000 0.874 331 R HN 0.489 nan 8.270 nan 0.000 0.451 332 H N 0.784 119.899 119.070 0.074 0.000 2.321 332 H HA -0.061 4.495 4.556 0.001 0.000 0.300 332 H C 1.894 177.290 175.328 0.114 0.000 1.087 332 H CA 1.660 57.756 56.048 0.081 0.000 1.319 332 H CB 0.061 29.882 29.762 0.098 0.000 1.379 332 H HN -0.046 nan 8.280 nan 0.000 0.501 333 V N 1.572 121.731 119.914 0.409 0.000 2.343 333 V HA -0.280 3.840 4.120 0.001 0.000 0.247 333 V C 3.007 179.258 176.094 0.261 0.000 1.051 333 V CA 1.984 64.548 62.300 0.441 0.000 1.036 333 V CB -0.671 31.366 31.823 0.358 0.000 0.654 333 V HN 0.407 nan 8.190 nan 0.000 0.451 334 M N -0.388 119.290 119.600 0.129 0.000 2.159 334 M HA -0.185 4.295 4.480 0.001 0.000 0.263 334 M C 2.383 178.684 176.300 0.001 0.000 1.063 334 M CA 2.218 57.547 55.300 0.048 0.000 1.110 334 M CB -0.178 32.430 32.600 0.013 0.000 1.374 334 M HN 0.418 nan 8.290 nan 0.000 0.411 335 S N 0.229 115.908 115.700 -0.033 0.000 2.368 335 S HA -0.144 4.326 4.470 0.001 0.000 0.224 335 S C 1.913 176.414 174.600 -0.165 0.000 1.029 335 S CA 1.909 60.046 58.200 -0.104 0.000 0.988 335 S CB -0.274 62.843 63.200 -0.139 0.000 0.838 335 S HN 0.698 nan 8.310 nan 0.000 0.462 336 E N -0.995 119.070 120.200 -0.225 0.000 2.385 336 E HA 0.151 4.502 4.350 0.001 0.000 0.194 336 E C 1.207 177.492 176.600 -0.525 0.000 1.013 336 E CA 0.625 56.773 56.400 -0.420 0.000 0.866 336 E CB -0.501 28.857 29.700 -0.571 0.000 0.832 336 E HN 0.900 nan 8.360 nan 0.000 0.500 337 Y N -1.628 118.678 120.300 0.010 0.000 2.441 337 Y HA 0.445 4.996 4.550 0.001 0.000 0.266 337 Y C 1.567 177.437 175.900 -0.050 0.000 1.093 337 Y CA -0.037 58.070 58.100 0.011 0.000 1.246 337 Y CB 1.290 39.694 38.460 -0.092 0.000 1.262 337 Y HN 0.500 nan 8.280 nan 0.000 0.518 338 G N 1.552 110.392 108.800 0.067 0.000 2.693 338 G HA2 -0.306 3.655 3.960 0.001 0.000 0.226 338 G HA3 -0.306 3.655 3.960 0.001 0.000 0.226 338 G C -0.639 174.273 174.900 0.020 0.000 1.354 338 G CA -0.355 44.755 45.100 0.017 0.000 0.873 338 G HN 0.277 nan 8.290 nan 0.000 0.562 339 N N 0.637 119.364 118.700 0.045 0.000 2.482 339 N HA 0.406 5.147 4.740 0.001 0.000 0.242 339 N C 1.110 176.654 175.510 0.056 0.000 1.100 339 N CA -0.190 52.894 53.050 0.057 0.000 0.946 339 N CB -0.076 38.513 38.487 0.170 0.000 1.227 339 N HN 0.476 nan 8.380 nan 0.000 0.508 340 M N 2.048 121.628 119.600 -0.033 0.000 2.631 340 M HA 0.053 4.533 4.480 0.001 0.000 0.241 340 M C 1.027 177.284 176.300 -0.073 0.000 1.255 340 M CA -0.197 55.055 55.300 -0.080 0.000 0.983 340 M CB -0.491 31.975 32.600 -0.223 0.000 1.580 340 M HN 0.658 nan 8.290 nan 0.000 0.464 341 S N 0.857 116.552 115.700 -0.008 0.000 4.059 341 S HA -0.321 4.150 4.470 0.001 0.000 0.624 341 S C 1.509 176.061 174.600 -0.081 0.000 2.019 341 S CA 2.121 60.292 58.200 -0.048 0.000 4.197 341 S CB -1.369 61.708 63.200 -0.205 0.000 0.215 341 S HN 0.728 nan 8.310 nan 0.000 0.609 342 S N 1.819 117.398 115.700 -0.202 0.000 2.400 342 S HA 0.008 4.479 4.470 0.001 0.000 0.232 342 S C 2.067 176.538 174.600 -0.216 0.000 1.025 342 S CA 2.153 60.209 58.200 -0.240 0.000 0.993 342 S CB -1.184 61.864 63.200 -0.253 0.000 0.808 342 S HN 1.706 nan 8.310 nan 0.000 0.478 343 A N 0.602 123.352 122.820 -0.118 0.000 2.067 343 A HA 0.042 4.362 4.320 0.001 0.000 0.219 343 A C 2.418 180.004 177.584 0.004 0.000 1.158 343 A CA 1.053 53.087 52.037 -0.006 0.000 0.661 343 A CB -1.520 17.542 19.000 0.102 0.000 0.801 343 A HN 0.707 nan 8.150 nan 0.000 0.452 344 C N -0.665 118.590 119.300 -0.074 0.000 2.349 344 C HA -0.212 4.249 4.460 0.001 0.000 0.274 344 C C 2.818 177.821 174.990 0.022 0.000 1.178 344 C CA 1.697 60.688 59.018 -0.046 0.000 1.769 344 C CB -1.546 26.204 27.740 0.016 0.000 2.047 344 C HN 0.711 nan 8.230 nan 0.000 0.448 345 V N -0.602 119.272 119.914 -0.067 0.000 2.568 345 V HA -0.234 3.886 4.120 0.001 0.000 0.253 345 V C 2.239 178.320 176.094 -0.023 0.000 1.072 345 V CA 2.457 64.709 62.300 -0.079 0.000 1.084 345 V CB -1.189 30.535 31.823 -0.165 0.000 0.676 345 V HN 0.604 nan 8.190 nan 0.000 0.469 346 H N -0.640 118.474 119.070 0.073 0.000 2.395 346 H HA 0.099 4.655 4.556 0.001 0.000 0.299 346 H C 2.107 177.470 175.328 0.058 0.000 1.070 346 H CA 1.573 57.639 56.048 0.030 0.000 1.356 346 H CB -0.571 29.191 29.762 -0.000 0.000 1.401 346 H HN 0.521 nan 8.280 nan 0.000 0.524 347 F N 0.833 120.798 119.950 0.024 0.000 2.171 347 F HA -0.100 4.428 4.527 0.001 0.000 0.300 347 F C 2.521 178.336 175.800 0.025 0.000 1.090 347 F CA 0.763 58.746 58.000 -0.027 0.000 1.293 347 F CB -0.470 38.452 39.000 -0.131 0.000 1.013 347 F HN 0.047 nan 8.300 nan 0.000 0.486 348 I N -0.792 119.916 120.570 0.229 0.000 2.315 348 I HA -0.282 3.888 4.170 0.001 0.000 0.248 348 I C 2.261 178.440 176.117 0.103 0.000 1.117 348 I CA 0.996 62.392 61.300 0.159 0.000 1.404 348 I CB -0.511 37.567 38.000 0.131 0.000 1.071 348 I HN 0.100 nan 8.210 nan 0.000 0.419 349 L N 0.477 121.737 121.223 0.062 0.000 2.046 349 L HA -0.259 4.082 4.340 0.001 0.000 0.208 349 L C 2.239 179.178 176.870 0.114 0.000 1.077 349 L CA 1.578 56.411 54.840 -0.012 0.000 0.747 349 L CB -0.546 41.450 42.059 -0.105 0.000 0.896 349 L HN 0.280 nan 8.230 nan 0.000 0.432 350 D N -0.584 119.868 120.400 0.086 0.000 2.117 350 D HA -0.257 4.383 4.640 0.001 0.000 0.197 350 D C 2.161 178.494 176.300 0.056 0.000 0.987 350 D CA 1.058 55.094 54.000 0.060 0.000 0.829 350 D CB 0.138 40.917 40.800 -0.035 0.000 0.961 350 D HN 0.117 nan 8.370 nan 0.000 0.460 351 Q N -0.368 119.467 119.800 0.059 0.000 2.167 351 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 351 Q C 1.886 177.899 176.000 0.022 0.000 0.970 351 Q CA 1.811 57.623 55.803 0.016 0.000 0.855 351 Q CB -0.584 28.162 28.738 0.012 0.000 0.911 351 Q HN 0.215 nan 8.270 nan 0.000 0.438 352 T N 0.868 115.467 114.554 0.074 0.000 2.737 352 T HA -0.161 4.189 4.350 0.001 0.000 0.265 352 T C 1.604 176.350 174.700 0.076 0.000 1.038 352 T CA 1.651 63.803 62.100 0.087 0.000 1.144 352 T CB -0.258 68.681 68.868 0.118 0.000 0.866 352 T HN 0.586 nan 8.240 nan 0.000 0.434 353 R N 1.485 122.068 120.500 0.138 0.000 2.092 353 R HA 0.047 4.388 4.340 0.001 0.000 0.231 353 R C 2.171 178.452 176.300 -0.033 0.000 1.119 353 R CA 1.255 57.360 56.100 0.009 0.000 0.970 353 R CB -0.251 30.032 30.300 -0.029 0.000 0.864 353 R HN 0.253 nan 8.270 nan 0.000 0.440 354 K N 0.905 121.301 120.400 -0.007 0.000 2.025 354 K HA -0.011 4.309 4.320 0.001 0.000 0.207 354 K C 2.373 178.957 176.600 -0.026 0.000 1.049 354 K CA 1.454 57.728 56.287 -0.021 0.000 0.933 354 K CB -0.221 32.270 32.500 -0.016 0.000 0.714 354 K HN 0.289 nan 8.250 nan 0.000 0.438 355 A N 1.021 123.826 122.820 -0.024 0.000 1.902 355 A HA -0.160 4.160 4.320 0.001 0.000 0.217 355 A C 2.203 179.776 177.584 -0.018 0.000 1.181 355 A CA 1.886 53.910 52.037 -0.021 0.000 0.623 355 A CB -0.573 18.416 19.000 -0.019 0.000 0.818 355 A HN 0.182 nan 8.150 nan 0.000 0.443 356 S N -0.516 115.168 115.700 -0.027 0.000 2.370 356 S HA -0.155 4.315 4.470 0.001 0.000 0.226 356 S C 1.873 176.446 174.600 -0.045 0.000 1.033 356 S CA 1.505 59.679 58.200 -0.042 0.000 1.011 356 S CB -0.445 62.707 63.200 -0.081 0.000 0.852 356 S HN 0.503 nan 8.310 nan 0.000 0.457 357 L N 1.843 123.035 121.223 -0.052 0.000 1.994 357 L HA -0.106 4.234 4.340 0.001 0.000 0.208 357 L C 2.235 179.087 176.870 -0.030 0.000 1.071 357 L CA 1.822 56.633 54.840 -0.048 0.000 0.745 357 L CB -0.884 41.144 42.059 -0.052 0.000 0.892 357 L HN 0.251 nan 8.230 nan 0.000 0.431 358 Q N -0.552 119.235 119.800 -0.022 0.000 2.181 358 Q HA -0.164 4.176 4.340 0.001 0.000 0.205 358 Q C 1.295 177.290 176.000 -0.007 0.000 0.980 358 Q CA 1.498 57.294 55.803 -0.012 0.000 0.862 358 Q CB -0.190 28.543 28.738 -0.007 0.000 0.905 358 Q HN 0.559 nan 8.270 nan 0.000 0.429 359 N N -0.705 117.990 118.700 -0.008 0.000 2.398 359 N HA 0.044 4.784 4.740 0.001 0.000 0.188 359 N C 0.554 176.062 175.510 -0.005 0.000 1.122 359 N CA 0.918 53.967 53.050 -0.002 0.000 0.866 359 N CB 0.926 39.415 38.487 0.004 0.000 0.970 359 N HN 0.357 nan 8.380 nan 0.000 0.462 360 G N 0.526 109.319 108.800 -0.012 0.000 2.160 360 G HA2 -0.309 3.652 3.960 0.001 0.000 0.251 360 G HA3 -0.309 3.652 3.960 0.001 0.000 0.251 360 G C 0.329 175.220 174.900 -0.016 0.000 1.008 360 G CA 0.150 45.242 45.100 -0.014 0.000 0.724 360 G HN 0.382 nan 8.290 nan 0.000 0.514 361 C N 0.579 119.866 119.300 -0.021 0.000 2.700 361 C HA 0.494 4.954 4.460 0.001 0.000 0.397 361 C C 2.359 177.330 174.990 -0.033 0.000 1.301 361 C CA 0.414 59.418 59.018 -0.022 0.000 2.219 361 C CB 1.172 28.896 27.740 -0.028 0.000 2.699 361 C HN 0.947 nan 8.230 nan 0.000 0.669 362 S N -0.050 115.633 115.700 -0.028 0.000 2.496 362 S HA 0.046 4.516 4.470 0.001 0.000 0.224 362 S C 0.532 175.101 174.600 -0.051 0.000 0.996 362 S CA 0.688 58.869 58.200 -0.032 0.000 0.927 362 S CB -0.439 62.750 63.200 -0.018 0.000 0.774 362 S HN 0.996 nan 8.310 nan 0.000 0.524 363 T N -1.681 112.832 114.554 -0.068 0.000 2.883 363 T HA 0.484 4.835 4.350 0.001 0.000 0.296 363 T C 0.725 175.320 174.700 -0.175 0.000 1.117 363 T CA -0.033 62.000 62.100 -0.111 0.000 1.006 363 T CB 1.260 70.077 68.868 -0.085 0.000 1.191 363 T HN 0.103 nan 8.240 nan 0.000 0.508 364 T N -1.966 112.420 114.554 -0.281 0.000 3.163 364 T HA 0.217 4.567 4.350 0.001 0.000 0.260 364 T C 1.303 175.764 174.700 -0.398 0.000 1.156 364 T CA 0.503 62.370 62.100 -0.389 0.000 1.072 364 T CB -0.558 67.885 68.868 -0.707 0.000 0.937 364 T HN 1.045 nan 8.240 nan 0.000 0.528 365 G N 0.032 108.570 108.800 -0.437 0.000 4.637 365 G HA2 0.501 4.461 3.960 0.001 0.000 0.308 365 G HA3 0.501 4.461 3.960 0.001 0.000 0.308 365 G C 0.436 175.191 174.900 -0.242 0.000 1.377 365 G CA 0.094 44.728 45.100 -0.777 0.000 1.176 365 G HN 0.687 nan 8.290 nan 0.000 0.601 366 E N -0.842 119.285 120.200 -0.122 0.000 2.586 366 E HA -0.022 4.329 4.350 0.001 0.000 0.259 366 E C 2.018 178.629 176.600 0.018 0.000 1.107 366 E CA 1.660 58.056 56.400 -0.007 0.000 0.754 366 E CB -2.134 27.609 29.700 0.071 0.000 1.335 366 E HN 2.409 nan 8.360 nan 0.000 0.411 367 G N -2.317 106.475 108.800 -0.013 0.000 2.179 367 G HA2 -0.167 3.793 3.960 0.001 0.000 0.260 367 G HA3 -0.167 3.793 3.960 0.001 0.000 0.260 367 G C 0.509 175.437 174.900 0.046 0.000 0.977 367 G CA 0.499 45.605 45.100 0.010 0.000 0.641 367 G HN 1.401 nan 8.290 nan 0.000 0.533 368 L N -0.077 121.205 121.223 0.099 0.000 2.375 368 L HA 0.557 4.898 4.340 0.001 0.000 0.268 368 L C 1.544 178.530 176.870 0.193 0.000 1.058 368 L CA -0.356 54.581 54.840 0.162 0.000 0.803 368 L CB 1.378 43.590 42.059 0.254 0.000 1.212 368 L HN 0.245 nan 8.230 nan 0.000 0.451 369 E N 1.242 121.529 120.200 0.144 0.000 2.060 369 E HA -0.002 4.348 4.350 0.001 0.000 0.189 369 E C 0.137 176.842 176.600 0.176 0.000 0.974 369 E CA 0.739 57.211 56.400 0.119 0.000 0.808 369 E CB 0.423 30.144 29.700 0.035 0.000 0.768 369 E HN 0.393 nan 8.360 nan 0.000 0.453 370 M N 0.334 119.985 119.600 0.084 0.000 2.537 370 M HA 0.521 5.002 4.480 0.001 0.000 0.324 370 M C 0.237 176.259 176.300 -0.463 0.000 1.187 370 M CA -0.581 54.671 55.300 -0.080 0.000 0.993 370 M CB 1.388 33.923 32.600 -0.108 0.000 1.666 370 M HN 0.112 nan 8.290 nan 0.000 0.461 371 G N 0.097 108.332 108.800 -0.942 0.000 2.695 371 G HA2 0.686 4.646 3.960 0.001 0.000 0.290 371 G HA3 0.686 4.646 3.960 0.001 0.000 0.290 371 G C -2.046 172.332 174.900 -0.870 0.000 1.410 371 G CA -0.588 43.439 45.100 -1.788 0.000 0.844 371 G HN 0.595 nan 8.290 nan 0.000 0.478 372 V N 0.452 119.831 119.914 -0.893 0.000 2.709 372 V HA 0.832 4.952 4.120 0.001 0.000 0.308 372 V C -1.165 174.529 176.094 -0.666 0.000 1.062 372 V CA -0.921 60.959 62.300 -0.700 0.000 0.901 372 V CB 1.630 32.958 31.823 -0.826 0.000 1.003 372 V HN 0.855 nan 8.190 nan 0.000 0.425 373 L N 6.132 127.003 121.223 -0.588 0.000 2.362 373 L HA 0.727 5.067 4.340 0.001 0.000 0.275 373 L C -1.817 174.754 176.870 -0.499 0.000 0.998 373 L CA -0.319 54.288 54.840 -0.388 0.000 0.820 373 L CB 1.692 43.599 42.059 -0.253 0.000 1.270 373 L HN 0.640 nan 8.230 nan 0.000 0.415 374 F N 2.573 122.408 119.950 -0.192 0.000 2.520 374 F HA 0.738 5.266 4.527 0.001 0.000 0.322 374 F C 0.652 176.143 175.800 -0.516 0.000 1.103 374 F CA -0.651 57.159 58.000 -0.318 0.000 0.926 374 F CB 2.275 41.083 39.000 -0.319 0.000 1.154 374 F HN 0.451 nan 8.300 nan 0.000 0.453 375 G N 2.746 111.402 108.800 -0.239 0.000 2.461 375 G HA2 0.660 4.620 3.960 0.001 0.000 0.323 375 G HA3 0.660 4.620 3.960 0.001 0.000 0.323 375 G C -1.864 172.908 174.900 -0.213 0.000 1.229 375 G CA -0.379 44.562 45.100 -0.265 0.000 0.941 375 G HN 0.273 nan 8.290 nan 0.000 0.477 376 F N 0.553 120.579 119.950 0.127 0.000 2.546 376 F HA 0.891 5.419 4.527 0.001 0.000 0.320 376 F C 0.674 176.564 175.800 0.149 0.000 1.076 376 F CA -0.896 57.191 58.000 0.145 0.000 0.928 376 F CB 2.519 41.621 39.000 0.170 0.000 1.189 376 F HN 0.842 nan 8.300 nan 0.000 0.465 377 G N 0.758 109.837 108.800 0.464 0.000 2.489 377 G HA2 0.508 4.468 3.960 0.001 0.000 0.305 377 G HA3 0.508 4.468 3.960 0.001 0.000 0.305 377 G C -3.398 171.736 174.900 0.390 0.000 1.311 377 G CA -1.320 44.041 45.100 0.435 0.000 0.813 377 G HN 0.246 nan 8.290 nan 0.000 0.480 378 P HA 0.271 nan 4.420 nan 0.000 0.259 378 P C 0.770 178.198 177.300 0.214 0.000 1.163 378 P CA 1.971 65.210 63.100 0.232 0.000 0.760 378 P CB 0.927 32.737 31.700 0.184 0.000 0.762 379 G N 2.951 111.818 108.800 0.112 0.000 4.444 379 G HA2 -0.096 3.864 3.960 0.001 0.000 0.158 379 G HA3 -0.096 3.864 3.960 0.001 0.000 0.158 379 G C -0.471 174.444 174.900 0.025 0.000 1.789 379 G CA -0.446 44.681 45.100 0.045 0.000 0.886 379 G HN 0.542 nan 8.290 nan 0.000 0.284 380 L N 3.078 124.314 121.223 0.022 0.000 2.410 380 L HA 0.587 4.927 4.340 0.001 0.000 0.273 380 L C -0.229 176.637 176.870 -0.006 0.000 1.144 380 L CA 0.148 55.009 54.840 0.035 0.000 0.863 380 L CB 1.159 43.231 42.059 0.021 0.000 1.140 380 L HN 0.279 nan 8.230 nan 0.000 0.463 381 T N 6.275 120.816 114.554 -0.023 0.000 2.829 381 T HA 0.544 4.894 4.350 0.001 0.000 0.282 381 T C -0.177 174.467 174.700 -0.093 0.000 0.990 381 T CA -0.245 61.727 62.100 -0.213 0.000 1.028 381 T CB 1.126 69.551 68.868 -0.738 0.000 0.951 381 T HN 0.372 nan 8.240 nan 0.000 0.460 382 I N 2.792 123.324 120.570 -0.063 0.000 2.410 382 I HA 0.302 4.473 4.170 0.001 0.000 0.286 382 I C -0.022 176.123 176.117 0.047 0.000 1.009 382 I CA -0.815 60.569 61.300 0.139 0.000 1.111 382 I CB 1.682 39.819 38.000 0.230 0.000 1.262 382 I HN 0.398 nan 8.210 nan 0.000 0.443 383 E N 4.887 125.122 120.200 0.058 0.000 2.174 383 E HA 0.369 4.719 4.350 0.001 0.000 0.282 383 E C -0.752 175.878 176.600 0.049 0.000 0.992 383 E CA -0.292 56.108 56.400 0.000 0.000 0.803 383 E CB 2.150 31.853 29.700 0.006 0.000 1.090 383 E HN 0.423 nan 8.360 nan 0.000 0.396 384 T N 2.006 116.542 114.554 -0.029 0.000 2.779 384 T HA 0.405 4.755 4.350 0.001 0.000 0.280 384 T C -0.279 174.287 174.700 -0.223 0.000 0.987 384 T CA -0.524 61.472 62.100 -0.173 0.000 0.966 384 T CB 1.219 70.084 68.868 -0.005 0.000 0.933 384 T HN 0.075 nan 8.240 nan 0.000 0.442 385 V N 4.100 123.823 119.914 -0.318 0.000 2.443 385 V HA 0.376 4.496 4.120 0.001 0.000 0.293 385 V C -0.142 175.808 176.094 -0.239 0.000 1.021 385 V CA -0.840 61.330 62.300 -0.217 0.000 0.848 385 V CB 1.870 33.580 31.823 -0.188 0.000 0.998 385 V HN 0.706 nan 8.190 nan 0.000 0.424 386 V N 6.956 126.803 119.914 -0.112 0.000 2.432 386 V HA 0.473 4.594 4.120 0.001 0.000 0.275 386 V C 0.013 176.019 176.094 -0.147 0.000 1.043 386 V CA -0.162 62.034 62.300 -0.173 0.000 0.925 386 V CB 1.301 33.029 31.823 -0.157 0.000 0.985 386 V HN 0.623 nan 8.190 nan 0.000 0.466 387 L N 4.463 125.571 121.223 -0.191 0.000 2.319 387 L HA 0.697 5.038 4.340 0.001 0.000 0.267 387 L C -0.279 176.578 176.870 -0.021 0.000 1.011 387 L CA -0.830 53.963 54.840 -0.077 0.000 0.818 387 L CB 2.066 44.131 42.059 0.010 0.000 1.316 387 L HN 0.505 nan 8.230 nan 0.000 0.432 388 K N 0.715 121.171 120.400 0.093 0.000 2.397 388 K HA 0.459 4.780 4.320 0.001 0.000 0.253 388 K C -0.332 176.430 176.600 0.269 0.000 0.932 388 K CA -0.472 55.874 56.287 0.098 0.000 0.795 388 K CB 1.834 34.261 32.500 -0.122 0.000 1.159 388 K HN 0.758 nan 8.250 nan 0.000 0.424 389 S N 1.411 117.294 115.700 0.305 0.000 2.633 389 S HA 0.360 4.830 4.470 0.001 0.000 0.257 389 S C 0.006 174.559 174.600 -0.078 0.000 1.265 389 S CA -0.687 57.553 58.200 0.068 0.000 0.980 389 S CB 0.998 64.167 63.200 -0.051 0.000 1.017 389 S HN 0.292 nan 8.310 nan 0.000 0.577 390 V N 1.887 121.670 119.914 -0.218 0.000 2.735 390 V HA 0.479 4.600 4.120 0.001 0.000 0.310 390 V C -2.579 173.425 176.094 -0.150 0.000 1.061 390 V CA -2.155 60.044 62.300 -0.169 0.000 0.913 390 V CB 1.632 33.328 31.823 -0.212 0.000 1.005 390 V HN 0.759 nan 8.190 nan 0.000 0.428 391 P HA 0.317 nan 4.420 nan 0.000 0.268 391 P C -0.560 176.689 177.300 -0.086 0.000 1.205 391 P CA 0.268 63.323 63.100 -0.076 0.000 0.771 391 P CB 0.597 32.268 31.700 -0.048 0.000 0.858 392 I N 0.000 120.522 120.570 -0.079 0.000 2.984 392 I HA 0.000 4.170 4.170 0.001 0.000 0.288 392 I CA 0.000 61.255 61.300 -0.075 0.000 1.566 392 I CB 0.000 37.951 38.000 -0.082 0.000 1.214 392 I HN 0.000 nan 8.210 nan 0.000 0.494