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 1hb7_1_A DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.872 176.870 0.003 0.000 1.165 15 L CA 0.000 54.843 54.840 0.005 0.000 0.813 15 L CB 0.000 42.062 42.059 0.005 0.000 0.961 16 R N 0.142 120.644 120.500 0.003 0.000 2.366 16 R HA 0.245 4.585 4.340 0.000 0.000 0.201 16 R C 1.590 177.889 176.300 -0.001 0.000 1.057 16 R CA 2.224 58.324 56.100 0.001 0.000 1.086 16 R CB -1.965 28.337 30.300 0.003 0.000 0.914 16 R HN 1.968 nan 8.270 nan 0.000 0.476 17 N N -0.452 118.247 118.700 -0.002 0.000 2.135 17 N HA -0.173 4.566 4.740 0.000 0.000 0.186 17 N C 2.489 177.993 175.510 -0.009 0.000 1.027 17 N CA 1.923 54.969 53.050 -0.006 0.000 0.849 17 N CB -0.759 37.724 38.487 -0.005 0.000 1.002 17 N HN 0.745 nan 8.380 nan 0.000 0.425 18 Q N 0.240 120.036 119.800 -0.007 0.000 2.133 18 Q HA -0.327 4.013 4.340 0.000 0.000 0.208 18 Q C 2.140 178.135 176.000 -0.009 0.000 0.991 18 Q CA 2.253 58.051 55.803 -0.009 0.000 0.867 18 Q CB -1.081 27.653 28.738 -0.006 0.000 0.911 18 Q HN 0.954 nan 8.270 nan 0.000 0.417 19 Q N -0.547 119.249 119.800 -0.006 0.000 2.079 19 Q HA 0.060 4.400 4.340 0.000 0.000 0.200 19 Q C 2.567 178.563 176.000 -0.007 0.000 0.974 19 Q CA 1.203 57.003 55.803 -0.005 0.000 0.840 19 Q CB -0.240 28.497 28.738 -0.002 0.000 0.898 19 Q HN 0.724 nan 8.270 nan 0.000 0.430 20 A N 1.264 124.079 122.820 -0.008 0.000 1.877 20 A HA -0.172 4.148 4.320 0.000 0.000 0.216 20 A C 2.141 179.714 177.584 -0.018 0.000 1.186 20 A CA 1.464 53.494 52.037 -0.011 0.000 0.620 20 A CB -0.512 18.481 19.000 -0.011 0.000 0.822 20 A HN 0.269 nan 8.150 nan 0.000 0.443 21 M N -0.602 118.985 119.600 -0.022 0.000 2.132 21 M HA -0.109 4.371 4.480 0.000 0.000 0.263 21 M C 2.557 178.842 176.300 -0.026 0.000 1.065 21 M CA 1.345 56.627 55.300 -0.031 0.000 1.122 21 M CB -0.516 32.064 32.600 -0.034 0.000 1.365 21 M HN 0.479 nan 8.290 nan 0.000 0.411 22 A N 0.665 123.474 122.820 -0.018 0.000 1.902 22 A HA -0.065 4.255 4.320 0.000 0.000 0.217 22 A C 2.399 179.976 177.584 -0.012 0.000 1.181 22 A CA 2.039 54.067 52.037 -0.014 0.000 0.623 22 A CB -0.896 18.099 19.000 -0.010 0.000 0.818 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.218 123.032 122.820 -0.010 0.000 1.873 23 A HA -0.196 4.124 4.320 0.000 0.000 0.215 23 A C 1.959 179.537 177.584 -0.009 0.000 1.186 23 A CA 2.050 54.083 52.037 -0.006 0.000 0.616 23 A CB -0.849 18.150 19.000 -0.003 0.000 0.823 23 A HN 0.656 nan 8.150 nan 0.000 0.442 24 N N -0.272 118.418 118.700 -0.016 0.000 2.036 24 N HA -0.199 4.541 4.740 0.000 0.000 0.195 24 N C 1.583 177.078 175.510 -0.025 0.000 1.037 24 N CA 1.898 54.935 53.050 -0.023 0.000 0.855 24 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 24 N HN 0.294 nan 8.380 nan 0.000 0.423 25 L N 1.091 122.297 121.223 -0.028 0.000 2.079 25 L HA -0.135 4.205 4.340 0.000 0.000 0.210 25 L C 2.338 179.198 176.870 -0.018 0.000 1.081 25 L CA 1.785 56.609 54.840 -0.027 0.000 0.752 25 L CB -1.154 40.889 42.059 -0.027 0.000 0.896 25 L HN 0.432 nan 8.230 nan 0.000 0.433 26 Q N -0.917 118.876 119.800 -0.013 0.000 2.079 26 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 26 Q C 2.119 178.116 176.000 -0.005 0.000 0.974 26 Q CA 1.713 57.512 55.803 -0.007 0.000 0.840 26 Q CB -0.180 28.556 28.738 -0.003 0.000 0.898 26 Q HN 0.624 nan 8.270 nan 0.000 0.430 27 A N 1.354 124.172 122.820 -0.004 0.000 1.933 27 A HA -0.210 4.110 4.320 0.000 0.000 0.218 27 A C 2.135 179.715 177.584 -0.006 0.000 1.175 27 A CA 1.468 53.506 52.037 0.000 0.000 0.628 27 A CB -0.683 18.320 19.000 0.004 0.000 0.814 27 A HN 0.436 nan 8.150 nan 0.000 0.444 28 R N -0.279 120.213 120.500 -0.013 0.000 2.073 28 R HA -0.187 4.153 4.340 0.000 0.000 0.234 28 R C 2.287 178.577 176.300 -0.016 0.000 1.134 28 R CA 1.880 57.969 56.100 -0.018 0.000 0.952 28 R CB -0.357 29.928 30.300 -0.024 0.000 0.850 28 R HN 0.695 nan 8.270 nan 0.000 0.433 29 Q N 0.101 119.892 119.800 -0.014 0.000 2.124 29 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 29 Q C 2.275 178.269 176.000 -0.010 0.000 0.977 29 Q CA 1.529 57.324 55.803 -0.013 0.000 0.850 29 Q CB -0.093 28.639 28.738 -0.011 0.000 0.901 29 Q HN 0.475 nan 8.270 nan 0.000 0.429 30 I N 0.170 120.737 120.570 -0.005 0.000 2.252 30 I HA -0.232 3.938 4.170 0.000 0.000 0.245 30 I C 2.308 178.424 176.117 -0.002 0.000 1.102 30 I CA 0.748 62.048 61.300 0.001 0.000 1.385 30 I CB -0.268 37.737 38.000 0.008 0.000 1.064 30 I HN 0.008 nan 8.210 nan 0.000 0.414 31 V N 1.203 121.112 119.914 -0.009 0.000 2.295 31 V HA -0.276 3.844 4.120 0.000 0.000 0.246 31 V C 2.406 178.487 176.094 -0.022 0.000 1.049 31 V CA 1.760 64.049 62.300 -0.019 0.000 1.024 31 V CB -0.438 31.369 31.823 -0.027 0.000 0.648 31 V HN 0.360 nan 8.190 nan 0.000 0.447 32 L N -0.371 120.837 121.223 -0.025 0.000 2.083 32 L HA -0.239 4.101 4.340 0.000 0.000 0.209 32 L C 2.623 179.473 176.870 -0.034 0.000 1.083 32 L CA 1.987 56.805 54.840 -0.036 0.000 0.752 32 L CB -0.563 41.474 42.059 -0.036 0.000 0.899 32 L HN 0.439 nan 8.230 nan 0.000 0.433 33 Q N -0.604 119.184 119.800 -0.019 0.000 2.083 33 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 33 Q C 2.165 178.168 176.000 0.006 0.000 0.969 33 Q CA 1.138 56.935 55.803 -0.009 0.000 0.838 33 Q CB 0.213 28.949 28.738 -0.003 0.000 0.900 33 Q HN 0.457 nan 8.270 nan 0.000 0.436 34 Q N 0.299 120.105 119.800 0.010 0.000 2.250 34 Q HA 0.054 4.394 4.340 0.000 0.000 0.200 34 Q C 1.238 177.264 176.000 0.043 0.000 0.941 34 Q CA 0.748 56.568 55.803 0.028 0.000 0.872 34 Q CB 0.427 29.181 28.738 0.026 0.000 0.965 34 Q HN 0.346 nan 8.270 nan 0.000 0.480 35 S N -0.565 115.150 115.700 0.024 0.000 2.634 35 S HA 0.320 4.790 4.470 0.000 0.000 0.261 35 S C -0.580 174.065 174.600 0.075 0.000 1.271 35 S CA -0.632 57.593 58.200 0.042 0.000 0.985 35 S CB 0.782 63.984 63.200 0.004 0.000 0.968 35 S HN 0.205 nan 8.310 nan 0.000 0.568 36 Y N 0.837 121.117 120.300 -0.034 0.000 2.391 36 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 36 Y C -2.830 173.014 175.900 -0.093 0.000 0.965 36 Y CA -2.284 55.785 58.100 -0.051 0.000 1.067 36 Y CB 1.909 40.345 38.460 -0.041 0.000 1.199 36 Y HN 0.517 nan 8.280 nan 0.000 0.450 37 P HA 0.235 nan 4.420 nan 0.000 0.276 37 P C -1.402 175.742 177.300 -0.260 0.000 1.230 37 P CA 0.030 62.913 63.100 -0.361 0.000 0.776 37 P CB 1.058 32.519 31.700 -0.399 0.000 0.888 38 V N 4.731 124.431 119.914 -0.357 0.000 2.760 38 V HA 0.466 4.586 4.120 0.000 0.000 0.309 38 V C -0.277 175.627 176.094 -0.317 0.000 1.077 38 V CA -0.632 61.449 62.300 -0.364 0.000 0.910 38 V CB 2.345 33.754 31.823 -0.690 0.000 1.008 38 V HN 0.472 nan 8.190 nan 0.000 0.424 39 I N 3.705 124.227 120.570 -0.080 0.000 2.418 39 I HA 0.627 4.797 4.170 0.000 0.000 0.287 39 I C -0.744 175.491 176.117 0.196 0.000 1.008 39 I CA -0.093 61.252 61.300 0.074 0.000 1.104 39 I CB 1.518 39.554 38.000 0.061 0.000 1.264 39 I HN 0.844 nan 8.210 nan 0.000 0.438 40 Q N 6.676 126.680 119.800 0.340 0.000 2.331 40 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 40 Q C -1.445 174.780 176.000 0.376 0.000 1.062 40 Q CA -0.756 55.268 55.803 0.369 0.000 0.806 40 Q CB 2.245 31.200 28.738 0.360 0.000 1.312 40 Q HN 0.728 nan 8.270 nan 0.000 0.431 41 Q N 2.047 122.001 119.800 0.256 0.000 2.311 41 Q HA 0.166 4.506 4.340 0.000 0.000 0.272 41 Q C 0.203 176.214 176.000 0.018 0.000 1.012 41 Q CA 0.175 55.922 55.803 -0.092 0.000 0.891 41 Q CB 0.978 29.585 28.738 -0.218 0.000 1.201 41 Q HN 0.643 nan 8.270 nan 0.000 0.391 42 V N 0.092 120.012 119.914 0.011 0.000 3.570 42 V HA 0.430 4.550 4.120 0.000 0.000 0.257 42 V C 0.074 176.182 176.094 0.023 0.000 1.272 42 V CA 0.423 62.759 62.300 0.060 0.000 1.079 42 V CB 0.400 32.300 31.823 0.128 0.000 0.829 42 V HN 0.834 nan 8.190 nan 0.000 0.454 43 E N -0.620 119.571 120.200 -0.014 0.000 2.400 43 E HA 0.520 4.870 4.350 0.000 0.000 0.285 43 E C -1.581 174.963 176.600 -0.094 0.000 1.005 43 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 43 E CB 2.193 31.936 29.700 0.071 0.000 1.220 43 E HN 0.270 nan 8.360 nan 0.000 0.426 44 T N 2.558 116.993 114.554 -0.198 0.000 2.909 44 T HA 0.559 4.909 4.350 0.000 0.000 0.299 44 T C -1.392 173.005 174.700 -0.503 0.000 1.073 44 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 44 T CB 1.780 70.514 68.868 -0.223 0.000 1.098 44 T HN 0.475 nan 8.240 nan 0.000 0.477 45 Q N 0.788 120.105 119.800 -0.805 0.000 2.438 45 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 45 Q C -1.825 173.879 176.000 -0.493 0.000 0.994 45 Q CA -0.583 54.825 55.803 -0.659 0.000 0.887 45 Q CB 1.928 30.168 28.738 -0.831 0.000 1.432 45 Q HN 0.657 nan 8.270 nan 0.000 0.392 46 T N 3.629 118.053 114.554 -0.217 0.000 2.841 46 T HA 0.814 5.164 4.350 0.000 0.000 0.283 46 T C -1.157 173.562 174.700 0.031 0.000 1.000 46 T CA -0.400 61.612 62.100 -0.146 0.000 0.977 46 T CB 0.468 69.253 68.868 -0.138 0.000 0.979 46 T HN 0.475 nan 8.240 nan 0.000 0.446 47 F N -0.493 119.362 119.950 -0.158 0.000 2.745 47 F HA 0.740 5.267 4.527 0.000 0.000 0.316 47 F C -1.729 174.054 175.800 -0.028 0.000 1.155 47 F CA -1.262 56.711 58.000 -0.046 0.000 0.937 47 F CB 1.244 40.283 39.000 0.065 0.000 1.361 47 F HN 0.330 nan 8.300 nan 0.000 0.472 48 D N 1.382 121.863 120.400 0.136 0.000 2.381 48 D HA 0.426 5.066 4.640 0.000 0.000 0.235 48 D C -2.169 174.268 176.300 0.228 0.000 1.068 48 D CA -2.406 51.626 54.000 0.052 0.000 0.832 48 D CB 2.288 43.141 40.800 0.087 0.000 1.101 48 D HN 0.205 nan 8.370 nan 0.000 0.515 49 P HA -0.117 nan 4.420 nan 0.000 0.220 49 P C 0.904 178.330 177.300 0.210 0.000 1.144 49 P CA 0.999 64.237 63.100 0.230 0.000 0.800 49 P CB 0.313 32.021 31.700 0.014 0.000 0.772 50 A N -0.732 122.198 122.820 0.183 0.000 2.015 50 A HA -0.174 4.146 4.320 0.000 0.000 0.219 50 A C 2.057 179.714 177.584 0.122 0.000 1.163 50 A CA 1.581 53.708 52.037 0.149 0.000 0.646 50 A CB -0.825 18.252 19.000 0.129 0.000 0.806 50 A HN 0.163 nan 8.150 nan 0.000 0.448 51 N N -1.414 117.368 118.700 0.137 0.000 2.387 51 N HA 0.102 4.842 4.740 0.000 0.000 0.176 51 N C 0.749 176.299 175.510 0.067 0.000 1.022 51 N CA 0.576 53.686 53.050 0.100 0.000 0.883 51 N CB 0.204 38.757 38.487 0.110 0.000 1.019 51 N HN 0.558 nan 8.380 nan 0.000 0.435 52 R N -0.741 119.823 120.500 0.107 0.000 2.664 52 R HA 0.262 4.602 4.340 0.000 0.000 0.266 52 R C -0.926 175.373 176.300 -0.001 0.000 1.046 52 R CA -0.070 56.000 56.100 -0.049 0.000 0.885 52 R CB 0.731 30.890 30.300 -0.234 0.000 1.254 52 R HN 0.059 nan 8.270 nan 0.000 0.465 53 S N 0.103 115.722 115.700 -0.134 0.000 2.800 53 S HA 0.214 4.684 4.470 0.000 0.000 0.266 53 S C -0.678 173.937 174.600 0.024 0.000 1.029 53 S CA -0.318 57.933 58.200 0.085 0.000 1.302 53 S CB 0.857 64.183 63.200 0.210 0.000 1.212 53 S HN 0.146 nan 8.310 nan 0.000 0.683 54 V N 2.883 122.579 119.914 -0.363 0.000 2.448 54 V HA 0.678 4.798 4.120 0.000 0.000 0.295 54 V C -1.343 174.364 176.094 -0.645 0.000 1.025 54 V CA -0.422 61.699 62.300 -0.298 0.000 0.859 54 V CB 0.997 32.686 31.823 -0.223 0.000 0.988 54 V HN 0.425 nan 8.190 nan 0.000 0.431 55 F N 2.143 122.020 119.950 -0.121 0.000 2.576 55 F HA 0.509 5.036 4.527 0.000 0.000 0.313 55 F C -0.073 175.646 175.800 -0.135 0.000 1.078 55 F CA -0.847 57.083 58.000 -0.117 0.000 0.921 55 F CB 1.965 40.910 39.000 -0.091 0.000 1.232 55 F HN 0.382 nan 8.300 nan 0.000 0.459 56 D N 2.590 123.026 120.400 0.059 0.000 2.453 56 D HA 0.362 5.002 4.640 0.000 0.000 0.238 56 D C -1.178 175.129 176.300 0.010 0.000 1.088 56 D CA -0.086 53.904 54.000 -0.016 0.000 0.854 56 D CB 1.650 42.416 40.800 -0.056 0.000 1.076 56 D HN 0.220 nan 8.370 nan 0.000 0.533 57 V N 3.364 123.257 119.914 -0.035 0.000 2.546 57 V HA 0.276 4.396 4.120 0.000 0.000 0.284 57 V C 0.687 176.743 176.094 -0.064 0.000 1.050 57 V CA -0.227 62.056 62.300 -0.027 0.000 0.981 57 V CB 1.682 33.458 31.823 -0.077 0.000 0.990 57 V HN 0.530 nan 8.190 nan 0.000 0.474 58 T N 7.270 121.811 114.554 -0.023 0.000 2.801 58 T HA 0.384 4.734 4.350 0.000 0.000 0.306 58 T C -2.332 172.374 174.700 0.009 0.000 1.020 58 T CA -0.868 61.219 62.100 -0.022 0.000 0.948 58 T CB 1.198 70.060 68.868 -0.010 0.000 0.962 58 T HN 0.474 nan 8.240 nan 0.000 0.465 59 P HA 0.386 nan 4.420 nan 0.000 0.273 59 P C -0.712 176.647 177.300 0.098 0.000 1.250 59 P CA -0.562 62.623 63.100 0.141 0.000 0.793 59 P CB 0.473 32.360 31.700 0.311 0.000 1.011 60 A N 1.173 124.043 122.820 0.084 0.000 2.327 60 A HA 0.230 4.550 4.320 0.000 0.000 0.283 60 A C 0.011 177.571 177.584 -0.040 0.000 1.127 60 A CA -0.475 51.560 52.037 -0.004 0.000 0.810 60 A CB -0.377 18.587 19.000 -0.059 0.000 1.066 60 A HN 0.572 nan 8.150 nan 0.000 0.492 61 N N 0.917 119.595 118.700 -0.037 0.000 2.868 61 N HA 0.362 5.102 4.740 0.000 0.000 0.252 61 N C -1.166 174.297 175.510 -0.080 0.000 1.130 61 N CA -0.029 53.001 53.050 -0.033 0.000 1.026 61 N CB 0.938 39.425 38.487 0.000 0.000 1.335 61 N HN 0.391 nan 8.380 nan 0.000 0.516 62 V N 1.565 121.374 119.914 -0.176 0.000 2.733 62 V HA 0.676 4.796 4.120 0.000 0.000 0.306 62 V C 0.636 176.625 176.094 -0.175 0.000 1.084 62 V CA 0.175 62.349 62.300 -0.211 0.000 0.905 62 V CB 0.942 32.538 31.823 -0.379 0.000 1.010 62 V HN 0.759 nan 8.190 nan 0.000 0.424 63 G N 6.259 115.039 108.800 -0.032 0.000 2.594 63 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 63 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 63 G C -0.097 174.810 174.900 0.012 0.000 1.273 63 G CA 0.542 45.653 45.100 0.017 0.000 0.974 63 G HN 1.247 nan 8.290 nan 0.000 0.552 64 I N 0.764 121.362 120.570 0.047 0.000 2.312 64 I HA 0.374 4.544 4.170 0.000 0.000 0.290 64 I C 0.390 176.548 176.117 0.067 0.000 1.008 64 I CA -0.721 60.598 61.300 0.032 0.000 1.226 64 I CB 1.569 39.574 38.000 0.008 0.000 1.371 64 I HN 0.320 nan 8.210 nan 0.000 0.468 65 V N 7.708 127.633 119.914 0.018 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.924 176.957 176.094 -0.101 0.000 1.047 65 V CA -0.282 61.992 62.300 -0.044 0.000 0.955 65 V CB 1.114 32.864 31.823 -0.121 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.933 123.275 120.400 -0.097 0.000 2.276 66 K HA 0.458 4.778 4.320 0.000 0.000 0.198 66 K C 0.809 177.317 176.600 -0.153 0.000 1.052 66 K CA 0.723 56.992 56.287 -0.030 0.000 0.984 66 K CB 0.762 33.329 32.500 0.112 0.000 0.836 66 K HN 0.899 nan 8.250 nan 0.000 0.490 67 G N 0.219 108.712 108.800 -0.513 0.000 2.320 67 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 67 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 67 G C -1.975 172.059 174.900 -1.444 0.000 1.306 67 G CA -0.996 43.438 45.100 -1.110 0.000 0.836 67 G HN -0.002 nan 8.290 nan 0.000 0.517 68 F N -0.455 118.893 119.950 -1.003 0.000 2.547 68 F HA 0.642 5.169 4.527 0.000 0.000 0.316 68 F C -0.224 175.438 175.800 -0.229 0.000 1.121 68 F CA -0.807 56.950 58.000 -0.405 0.000 0.911 68 F CB 2.397 41.260 39.000 -0.228 0.000 1.179 68 F HN 0.413 nan 8.300 nan 0.000 0.443 69 L N 4.617 126.095 121.223 0.425 0.000 2.265 69 L HA 0.698 5.038 4.340 0.000 0.000 0.289 69 L C -1.034 176.174 176.870 0.563 0.000 1.033 69 L CA -0.479 54.749 54.840 0.647 0.000 0.814 69 L CB 1.076 43.568 42.059 0.721 0.000 1.203 69 L HN 0.400 nan 8.230 nan 0.000 0.423 70 V N 5.644 125.854 119.914 0.493 0.000 2.347 70 V HA 0.400 4.520 4.120 0.000 0.000 0.280 70 V C 0.041 176.330 176.094 0.325 0.000 1.021 70 V CA -0.789 61.741 62.300 0.383 0.000 0.847 70 V CB 1.182 33.163 31.823 0.263 0.000 0.990 70 V HN 0.714 nan 8.190 nan 0.000 0.444 71 K N 4.282 124.789 120.400 0.179 0.000 2.211 71 K HA 0.703 5.023 4.320 0.000 0.000 0.275 71 K C -1.388 175.210 176.600 -0.003 0.000 1.024 71 K CA -0.388 55.749 56.287 -0.251 0.000 0.887 71 K CB 1.594 33.956 32.500 -0.230 0.000 1.084 71 K HN 0.504 nan 8.250 nan 0.000 0.463 72 V N 3.529 123.426 119.914 -0.028 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.377 175.747 176.094 0.051 0.000 1.034 72 V CA -0.834 61.551 62.300 0.141 0.000 0.865 72 V CB 1.670 33.703 31.823 0.350 0.000 0.995 72 V HN 1.000 nan 8.190 nan 0.000 0.424 73 T N 1.323 115.897 114.554 0.033 0.000 2.908 73 T HA 0.957 5.307 4.350 0.000 0.000 0.290 73 T C -0.490 174.227 174.700 0.028 0.000 1.034 73 T CA -0.540 61.578 62.100 0.030 0.000 1.010 73 T CB 2.271 71.144 68.868 0.008 0.000 1.068 73 T HN 1.353 nan 8.240 nan 0.000 0.481 74 A N 0.833 123.704 122.820 0.085 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.953 176.722 177.584 0.152 0.000 1.071 74 A CA -0.807 51.311 52.037 0.135 0.000 0.685 74 A CB 1.271 20.456 19.000 0.308 0.000 1.285 74 A HN 1.657 nan 8.150 nan 0.000 0.405 75 A N 1.361 124.273 122.820 0.154 0.000 2.318 75 A HA 0.765 5.085 4.320 0.000 0.000 0.317 75 A C -0.832 176.818 177.584 0.110 0.000 1.159 75 A CA -0.288 51.808 52.037 0.099 0.000 0.799 75 A CB 0.369 19.397 19.000 0.047 0.000 1.194 75 A HN 0.747 nan 8.150 nan 0.000 0.479 76 I N 2.095 122.675 120.570 0.017 0.000 2.406 76 I HA 0.340 4.510 4.170 0.000 0.000 0.290 76 I C -0.261 175.759 176.117 -0.161 0.000 0.999 76 I CA -0.228 61.007 61.300 -0.107 0.000 1.124 76 I CB 2.411 40.325 38.000 -0.143 0.000 1.289 76 I HN 0.559 nan 8.210 nan 0.000 0.441 77 T N 4.460 118.902 114.554 -0.186 0.000 2.771 77 T HA 0.214 4.564 4.350 0.000 0.000 0.281 77 T C -0.053 174.491 174.700 -0.260 0.000 0.982 77 T CA -0.536 61.457 62.100 -0.179 0.000 0.978 77 T CB 0.798 69.600 68.868 -0.110 0.000 0.930 77 T HN 0.384 nan 8.240 nan 0.000 0.447 78 N N 2.957 121.517 118.700 -0.233 0.000 2.521 78 N HA 0.073 4.813 4.740 0.000 0.000 0.236 78 N C 0.651 176.082 175.510 -0.132 0.000 1.067 78 N CA -0.245 52.668 53.050 -0.228 0.000 0.939 78 N CB 0.191 38.555 38.487 -0.204 0.000 1.201 78 N HN 0.665 nan 8.380 nan 0.000 0.511 79 N N 2.277 120.902 118.700 -0.125 0.000 2.383 79 N HA -0.109 4.631 4.740 0.000 0.000 0.192 79 N C -0.193 175.284 175.510 -0.054 0.000 1.141 79 N CA -0.205 52.795 53.050 -0.083 0.000 0.851 79 N CB 0.104 38.538 38.487 -0.088 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 H N -0.307 118.695 119.070 -0.112 0.000 2.852 80 H HA 0.168 4.724 4.556 0.000 0.000 0.362 80 H C 1.241 176.530 175.328 -0.065 0.000 1.122 80 H CA 0.740 56.738 56.048 -0.084 0.000 1.419 80 H CB 1.345 31.056 29.762 -0.085 0.000 1.401 80 H HN 0.177 nan 8.280 nan 0.000 0.609 81 A N 2.405 125.019 122.820 -0.343 0.000 1.898 81 A HA -0.112 4.208 4.320 0.000 0.000 0.216 81 A C 1.881 179.493 177.584 0.048 0.000 1.181 81 A CA 2.077 54.033 52.037 -0.135 0.000 0.620 81 A CB -0.465 18.413 19.000 -0.204 0.000 0.819 81 A HN 0.870 nan 8.150 nan 0.000 0.442 82 T N -4.819 109.899 114.554 0.273 0.000 3.046 82 T HA 0.206 4.556 4.350 0.000 0.000 0.270 82 T C -0.076 174.701 174.700 0.129 0.000 0.920 82 T CA -0.296 61.910 62.100 0.178 0.000 0.874 82 T CB 0.205 69.140 68.868 0.111 0.000 1.214 82 T HN 0.176 nan 8.240 nan 0.000 0.536 83 E N 1.598 121.862 120.200 0.106 0.000 2.204 83 E HA 0.755 5.105 4.350 0.000 0.000 0.276 83 E C -0.251 176.237 176.600 -0.187 0.000 0.974 83 E CA -0.450 55.819 56.400 -0.218 0.000 0.815 83 E CB 2.017 31.365 29.700 -0.587 0.000 1.119 83 E HN 0.515 nan 8.360 nan 0.000 0.393 84 A N 1.909 124.655 122.820 -0.123 0.000 2.247 84 A HA 0.729 5.049 4.320 0.000 0.000 0.313 84 A C -0.115 177.415 177.584 -0.091 0.000 1.109 84 A CA -0.542 51.438 52.037 -0.095 0.000 0.890 84 A CB 0.785 19.754 19.000 -0.052 0.000 1.239 84 A HN 0.399 nan 8.150 nan 0.000 0.506 85 V N -4.087 115.792 119.914 -0.059 0.000 3.078 85 V HA 0.950 5.070 4.120 0.000 0.000 0.311 85 V C -0.245 175.932 176.094 0.138 0.000 1.138 85 V CA -0.330 61.985 62.300 0.025 0.000 1.007 85 V CB 1.125 32.965 31.823 0.028 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.440 125.399 122.820 0.231 0.000 2.454 86 A HA 0.852 5.172 4.320 0.000 0.000 0.302 86 A C -0.562 177.152 177.584 0.218 0.000 1.079 86 A CA -0.994 51.197 52.037 0.257 0.000 0.731 86 A CB 1.467 20.531 19.000 0.107 0.000 1.299 86 A HN 1.105 nan 8.150 nan 0.000 0.413 87 L N 1.880 123.120 121.223 0.029 0.000 2.543 87 L HA 0.125 4.465 4.340 0.000 0.000 0.285 87 L C 1.488 178.258 176.870 -0.167 0.000 1.236 87 L CA 0.161 54.810 54.840 -0.318 0.000 0.871 87 L CB 0.375 42.281 42.059 -0.255 0.000 1.121 87 L HN 0.996 nan 8.230 nan 0.000 0.501 88 T N -1.885 112.542 114.554 -0.213 0.000 2.770 88 T HA 0.084 4.434 4.350 0.000 0.000 0.281 88 T C 0.757 175.369 174.700 -0.147 0.000 0.981 88 T CA -0.788 61.205 62.100 -0.179 0.000 0.955 88 T CB 0.787 69.513 68.868 -0.236 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.220 120.066 120.400 -0.190 0.000 2.178 89 D HA -0.017 4.623 4.640 0.000 0.000 0.201 89 D C 1.526 177.968 176.300 0.237 0.000 0.980 89 D CA 1.066 55.046 54.000 -0.033 0.000 0.842 89 D CB -0.227 40.506 40.800 -0.112 0.000 0.948 89 D HN 0.472 nan 8.370 nan 0.000 0.472 90 F N 0.186 120.062 119.950 -0.124 0.000 2.473 90 F HA 0.245 4.772 4.527 0.000 0.000 0.294 90 F C 2.186 177.932 175.800 -0.091 0.000 1.103 90 F CA 0.412 58.375 58.000 -0.062 0.000 1.442 90 F CB -0.949 37.983 39.000 -0.113 0.000 1.097 90 F HN -0.027 nan 8.300 nan 0.000 0.547 91 G N 2.680 111.497 108.800 0.028 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.117 173.755 174.900 -0.047 0.000 1.286 91 G CA 0.558 45.595 45.100 -0.106 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.038 nan 4.420 nan 0.000 0.228 92 P C 1.604 178.915 177.300 0.019 0.000 1.151 92 P CA 2.276 65.385 63.100 0.015 0.000 0.770 92 P CB -0.379 31.323 31.700 0.004 0.000 0.786 93 A N 0.055 122.847 122.820 -0.047 0.000 2.172 93 A HA -0.095 4.225 4.320 0.000 0.000 0.216 93 A C 1.839 179.557 177.584 0.224 0.000 1.154 93 A CA 0.998 53.002 52.037 -0.055 0.000 0.701 93 A CB -0.972 17.886 19.000 -0.236 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.385 118.445 118.700 0.217 0.000 2.268 94 N HA 0.185 4.925 4.740 0.000 0.000 0.204 94 N C 1.053 176.706 175.510 0.238 0.000 1.124 94 N CA 0.076 53.276 53.050 0.251 0.000 0.838 94 N CB 0.106 38.721 38.487 0.213 0.000 0.994 94 N HN 0.467 nan 8.380 nan 0.000 0.489 95 L N -0.254 121.144 121.223 0.292 0.000 2.201 95 L HA -0.004 4.336 4.340 0.000 0.000 0.212 95 L C 0.302 177.350 176.870 0.297 0.000 1.105 95 L CA 0.786 55.826 54.840 0.333 0.000 0.775 95 L CB 0.227 42.505 42.059 0.365 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.100 119.913 119.914 0.165 0.000 2.384 96 V HA 0.130 4.250 4.120 0.000 0.000 0.287 96 V C 0.531 176.531 176.094 -0.157 0.000 1.020 96 V CA -0.550 61.615 62.300 -0.225 0.000 0.850 96 V CB 1.710 33.083 31.823 -0.750 0.000 0.987 96 V HN 0.162 nan 8.190 nan 0.000 0.436 97 Q N 3.507 123.226 119.800 -0.136 0.000 2.123 97 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 97 Q C 0.468 176.375 176.000 -0.155 0.000 0.958 97 Q CA 1.018 56.783 55.803 -0.062 0.000 0.841 97 Q CB 0.464 29.199 28.738 -0.005 0.000 0.915 97 Q HN 0.627 nan 8.270 nan 0.000 0.455 98 R N -1.055 119.303 120.500 -0.237 0.000 2.710 98 R HA 0.631 4.971 4.340 0.000 0.000 0.270 98 R C -1.378 174.734 176.300 -0.314 0.000 1.021 98 R CA -0.519 55.432 56.100 -0.249 0.000 0.889 98 R CB 2.248 32.450 30.300 -0.165 0.000 1.243 98 R HN -0.187 nan 8.270 nan 0.000 0.464 99 V N 2.565 122.311 119.914 -0.280 0.000 2.841 99 V HA 0.621 4.741 4.120 0.000 0.000 0.310 99 V C -0.768 175.213 176.094 -0.189 0.000 1.090 99 V CA -0.679 61.457 62.300 -0.273 0.000 0.930 99 V CB 2.328 33.965 31.823 -0.310 0.000 1.014 99 V HN 0.565 nan 8.190 nan 0.000 0.425 100 I N 3.683 124.162 120.570 -0.152 0.000 2.607 100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 100 I C -1.741 174.325 176.117 -0.085 0.000 1.129 100 I CA -0.704 60.517 61.300 -0.132 0.000 1.042 100 I CB 2.373 40.305 38.000 -0.113 0.000 1.242 100 I HN 0.687 nan 8.210 nan 0.000 0.421 101 Y N 6.252 126.408 120.300 -0.241 0.000 2.376 101 Y HA 0.594 5.144 4.550 0.000 0.000 0.340 101 Y C -1.710 174.065 175.900 -0.208 0.000 0.965 101 Y CA -0.698 57.295 58.100 -0.178 0.000 1.078 101 Y CB 1.285 39.648 38.460 -0.163 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.652 124.444 120.300 -0.848 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.104 175.257 175.900 -0.897 0.000 0.975 102 Y CA -1.031 56.729 58.100 -0.567 0.000 1.089 102 Y CB 1.168 39.441 38.460 -0.311 0.000 1.192 102 Y HN 0.716 nan 8.280 nan 0.000 0.454 103 D N 2.689 122.941 120.400 -0.246 0.000 2.451 103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 103 D C -2.207 174.093 176.300 0.001 0.000 1.201 103 D CA -2.287 51.666 54.000 -0.077 0.000 1.028 103 D CB 0.386 41.328 40.800 0.237 0.000 1.095 103 D HN 0.169 nan 8.370 nan 0.000 0.539 104 P HA -0.062 nan 4.420 nan 0.000 0.221 104 P C -0.041 177.284 177.300 0.043 0.000 1.145 104 P CA 1.016 64.138 63.100 0.037 0.000 0.795 104 P CB 0.103 31.836 31.700 0.054 0.000 0.775 105 D N -1.678 118.766 120.400 0.073 0.000 2.358 105 D HA 0.035 4.675 4.640 0.000 0.000 0.224 105 D C 0.464 176.809 176.300 0.075 0.000 1.123 105 D CA 0.049 54.092 54.000 0.070 0.000 0.833 105 D CB -1.063 39.788 40.800 0.085 0.000 0.946 105 D HN 0.208 nan 8.370 nan 0.000 0.505 106 N N 0.636 119.381 118.700 0.076 0.000 2.800 106 N HA -0.260 4.480 4.740 0.000 0.000 0.250 106 N C -0.162 175.463 175.510 0.191 0.000 1.078 106 N CA 0.189 53.303 53.050 0.106 0.000 0.804 106 N CB -0.423 38.093 38.487 0.049 0.000 1.135 106 N HN 0.158 nan 8.380 nan 0.000 0.565 107 Q N 1.616 121.520 119.800 0.173 0.000 2.256 107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 107 Q C -0.517 175.574 176.000 0.153 0.000 0.916 107 Q CA -0.244 55.645 55.803 0.144 0.000 0.932 107 Q CB 0.879 29.679 28.738 0.103 0.000 1.207 107 Q HN 0.182 nan 8.270 nan 0.000 0.426 108 R N 2.945 123.448 120.500 0.003 0.000 2.441 108 R HA 0.284 4.624 4.340 0.000 0.000 0.284 108 R C 0.260 176.568 176.300 0.013 0.000 1.070 108 R CA -0.143 55.860 56.100 -0.161 0.000 1.047 108 R CB 0.689 30.776 30.300 -0.355 0.000 1.016 108 R HN 0.821 nan 8.270 nan 0.000 0.477 109 H N 0.196 119.228 119.070 -0.062 0.000 5.067 109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 109 H C 0.076 175.324 175.328 -0.133 0.000 1.355 109 H CA -0.367 55.660 56.048 -0.036 0.000 0.741 109 H CB 0.277 30.088 29.762 0.081 0.000 1.615 109 H HN 0.380 nan 8.280 nan 0.000 0.266 110 T N 1.531 116.090 114.554 0.008 0.000 2.916 110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 110 T C 0.111 174.746 174.700 -0.108 0.000 1.025 110 T CA 0.465 62.491 62.100 -0.123 0.000 1.142 110 T CB 0.319 69.076 68.868 -0.184 0.000 0.947 110 T HN 0.394 nan 8.240 nan 0.000 0.544 111 E N 2.204 122.344 120.200 -0.100 0.000 2.642 111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 111 E C -0.776 175.781 176.600 -0.071 0.000 1.039 111 E CA -0.473 55.869 56.400 -0.096 0.000 0.777 111 E CB 0.909 30.561 29.700 -0.080 0.000 1.473 111 E HN 0.589 nan 8.360 nan 0.000 0.388 112 T N 0.974 115.460 114.554 -0.114 0.000 2.671 112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 112 T C -0.912 173.654 174.700 -0.223 0.000 1.238 112 T CA -0.194 61.834 62.100 -0.121 0.000 1.020 112 T CB 1.048 69.915 68.868 -0.003 0.000 1.503 112 T HN 0.419 nan 8.240 nan 0.000 0.497 113 S N -0.049 115.446 115.700 -0.342 0.000 2.617 113 S HA 0.490 4.960 4.470 0.000 0.000 0.269 113 S C 1.620 175.956 174.600 -0.439 0.000 1.292 113 S CA 0.052 57.974 58.200 -0.463 0.000 1.010 113 S CB 0.861 63.545 63.200 -0.860 0.000 0.944 113 S HN 1.071 nan 8.310 nan 0.000 0.536 114 G N 1.080 109.680 108.800 -0.333 0.000 2.418 114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 114 G C 1.322 176.211 174.900 -0.018 0.000 1.158 114 G CA 0.754 45.709 45.100 -0.241 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.195 121.452 121.300 -0.072 0.000 2.388 115 W HA -0.024 4.636 4.660 0.000 0.000 0.294 115 W C 1.786 177.994 176.519 -0.519 0.000 1.212 115 W CA 0.837 57.954 57.345 -0.381 0.000 1.271 115 W CB -1.034 28.165 29.460 -0.435 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.267 119.976 119.070 -0.601 0.000 2.357 116 H HA -0.180 4.376 4.556 0.000 0.000 0.301 116 H C 2.352 177.574 175.328 -0.176 0.000 1.082 116 H CA 1.790 57.617 56.048 -0.369 0.000 1.342 116 H CB -0.125 29.254 29.762 -0.639 0.000 1.389 116 H HN 0.118 nan 8.280 nan 0.000 0.511 117 L N 1.059 122.061 121.223 -0.369 0.000 2.042 117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 117 L C 2.589 179.361 176.870 -0.163 0.000 1.076 117 L CA 2.456 57.114 54.840 -0.304 0.000 0.749 117 L CB -1.111 40.839 42.059 -0.183 0.000 0.893 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 H N -1.042 117.954 119.070 -0.124 0.000 2.353 118 H HA -0.186 4.370 4.556 0.000 0.000 0.300 118 H C 1.929 177.238 175.328 -0.032 0.000 1.090 118 H CA 2.226 58.195 56.048 -0.131 0.000 1.327 118 H CB -0.585 29.071 29.762 -0.177 0.000 1.383 118 H HN 0.473 nan 8.280 nan 0.000 0.508 119 F N -0.731 119.104 119.950 -0.192 0.000 2.171 119 F HA -0.162 4.365 4.527 0.000 0.000 0.300 119 F C 2.538 178.272 175.800 -0.110 0.000 1.090 119 F CA 0.561 58.500 58.000 -0.102 0.000 1.293 119 F CB -0.056 38.930 39.000 -0.023 0.000 1.013 119 F HN 0.086 nan 8.300 nan 0.000 0.486 120 V N 0.255 120.155 119.914 -0.023 0.000 2.427 120 V HA -0.287 3.833 4.120 0.000 0.000 0.248 120 V C 1.668 177.702 176.094 -0.101 0.000 1.051 120 V CA 1.956 64.225 62.300 -0.052 0.000 1.048 120 V CB -0.773 30.948 31.823 -0.169 0.000 0.666 120 V HN 0.377 nan 8.190 nan 0.000 0.456 121 N N -0.302 118.251 118.700 -0.245 0.000 2.104 121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 121 N C 1.836 177.210 175.510 -0.225 0.000 1.024 121 N CA 1.831 54.615 53.050 -0.442 0.000 0.853 121 N CB -0.200 37.625 38.487 -1.103 0.000 1.008 121 N HN 0.419 nan 8.380 nan 0.000 0.424 122 T N 0.572 115.024 114.554 -0.170 0.000 2.708 122 T HA -0.090 4.261 4.350 0.000 0.000 0.266 122 T C 2.057 176.717 174.700 -0.067 0.000 1.037 122 T CA 1.190 63.259 62.100 -0.052 0.000 1.146 122 T CB -0.333 68.477 68.868 -0.096 0.000 0.865 122 T HN 0.331 nan 8.240 nan 0.000 0.435 123 A N 1.896 124.685 122.820 -0.052 0.000 1.908 123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 123 A C 2.278 179.845 177.584 -0.027 0.000 1.181 123 A CA 1.395 53.365 52.037 -0.113 0.000 0.627 123 A CB -0.332 18.562 19.000 -0.177 0.000 0.818 123 A HN 0.289 nan 8.150 nan 0.000 0.445 124 K N -0.631 119.760 120.400 -0.015 0.000 2.155 124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 124 K C 2.147 178.725 176.600 -0.035 0.000 1.052 124 K CA 1.443 57.711 56.287 -0.031 0.000 0.948 124 K CB -0.239 32.216 32.500 -0.075 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 Q N -0.062 119.735 119.800 -0.005 0.000 2.187 125 Q HA -0.078 4.262 4.340 0.000 0.000 0.199 125 Q C 0.651 176.634 176.000 -0.028 0.000 0.957 125 Q CA 1.317 57.122 55.803 0.005 0.000 0.857 125 Q CB 0.239 29.030 28.738 0.090 0.000 0.929 125 Q HN 0.442 nan 8.270 nan 0.000 0.453 126 G N -0.625 108.151 108.800 -0.040 0.000 2.141 126 G HA2 -0.162 3.798 3.960 0.000 0.000 0.231 126 G HA3 -0.162 3.798 3.960 0.000 0.000 0.231 126 G C -0.061 174.792 174.900 -0.079 0.000 0.984 126 G CA 0.187 45.254 45.100 -0.054 0.000 0.660 126 G HN 0.826 nan 8.290 nan 0.000 0.525 127 A N -1.279 121.492 122.820 -0.083 0.000 2.586 127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 127 A C -3.143 174.399 177.584 -0.069 0.000 1.062 127 A CA -0.763 51.218 52.037 -0.095 0.000 0.666 127 A CB 0.705 19.660 19.000 -0.074 0.000 1.281 127 A HN 0.151 nan 8.150 nan 0.000 0.421 128 P HA 0.118 nan 4.420 nan 0.000 0.258 128 P C -0.350 177.010 177.300 0.100 0.000 1.172 128 P CA 0.551 63.660 63.100 0.015 0.000 0.762 128 P CB -0.160 31.551 31.700 0.018 0.000 0.764 129 F N 5.763 125.714 119.950 0.002 0.000 2.604 129 F HA -0.066 4.461 4.527 0.000 0.000 0.393 129 F C 1.176 176.994 175.800 0.030 0.000 1.043 129 F CA 0.378 58.389 58.000 0.018 0.000 1.227 129 F CB -0.400 38.637 39.000 0.061 0.000 1.016 129 F HN 0.275 nan 8.300 nan 0.000 0.556 130 L N 3.583 124.435 121.223 -0.619 0.000 3.839 130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 130 L C 0.622 177.337 176.870 -0.258 0.000 1.195 130 L CA 0.557 55.051 54.840 -0.576 0.000 0.946 130 L CB -2.344 39.220 42.059 -0.825 0.000 1.891 130 L HN 0.734 nan 8.230 nan 0.000 0.963 131 S N -1.831 113.782 115.700 -0.145 0.000 2.645 131 S HA 0.531 5.001 4.470 0.000 0.000 0.266 131 S C 0.317 174.866 174.600 -0.085 0.000 1.258 131 S CA -0.028 58.126 58.200 -0.076 0.000 0.990 131 S CB 2.194 65.375 63.200 -0.031 0.000 0.967 131 S HN 0.278 nan 8.310 nan 0.000 0.556 132 S N 1.552 117.218 115.700 -0.056 0.000 2.498 132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 132 S C -0.357 174.220 174.600 -0.038 0.000 1.071 132 S CA -0.836 57.335 58.200 -0.048 0.000 1.113 132 S CB -0.043 63.140 63.200 -0.027 0.000 0.976 132 S HN 0.786 nan 8.310 nan 0.000 0.462 133 M N 5.981 125.551 119.600 -0.050 0.000 2.238 133 M HA 0.381 4.862 4.480 0.000 0.000 0.347 133 M C -1.088 175.192 176.300 -0.034 0.000 1.173 133 M CA -0.229 55.043 55.300 -0.047 0.000 1.147 133 M CB 0.636 33.198 32.600 -0.063 0.000 1.547 133 M HN 0.424 nan 8.290 nan 0.000 0.455 134 V N 4.662 124.561 119.914 -0.024 0.000 2.465 134 V HA 0.501 4.621 4.120 0.000 0.000 0.279 134 V C 0.426 176.509 176.094 -0.018 0.000 1.045 134 V CA -0.241 62.051 62.300 -0.013 0.000 0.938 134 V CB 1.066 32.886 31.823 -0.006 0.000 0.986 134 V HN 1.022 nan 8.190 nan 0.000 0.467 135 T N -0.227 114.321 114.554 -0.011 0.000 2.838 135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 135 T C 0.260 174.963 174.700 0.004 0.000 1.113 135 T CA -0.278 61.813 62.100 -0.015 0.000 1.008 135 T CB 1.903 70.747 68.868 -0.040 0.000 1.259 135 T HN 0.632 nan 8.240 nan 0.000 0.520 136 D N -0.059 120.342 120.400 0.003 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.658 176.974 176.300 0.028 0.000 1.061 136 D CA -0.177 53.831 54.000 0.012 0.000 0.875 136 D CB -0.380 40.423 40.800 0.006 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.786 117.512 115.700 0.043 0.000 2.544 137 S HA 0.080 4.550 4.470 0.000 0.000 0.290 137 S C -1.048 173.605 174.600 0.088 0.000 1.276 137 S CA -0.929 57.323 58.200 0.085 0.000 1.075 137 S CB 0.997 64.295 63.200 0.164 0.000 0.849 137 S HN 0.100 nan 8.310 nan 0.000 0.494 138 P HA 0.067 nan 4.420 nan 0.000 0.225 138 P C 0.114 177.430 177.300 0.026 0.000 1.156 138 P CA 0.323 63.445 63.100 0.037 0.000 0.787 138 P CB -0.041 31.674 31.700 0.023 0.000 0.802 139 I N 1.175 121.773 120.570 0.046 0.000 2.648 139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.322 177.379 176.117 -0.100 0.000 1.153 139 I CA 0.278 61.545 61.300 -0.056 0.000 1.426 139 I CB 0.176 38.133 38.000 -0.071 0.000 1.381 139 I HN -0.269 nan 8.210 nan 0.000 0.571 140 K N 6.640 126.933 120.400 -0.177 0.000 3.233 140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 140 K C -0.705 175.805 176.600 -0.151 0.000 1.209 140 K CA -0.005 56.209 56.287 -0.123 0.000 1.197 140 K CB -0.568 31.880 32.500 -0.088 0.000 1.431 140 K HN 0.388 nan 8.250 nan 0.000 0.326 141 Y N 0.429 120.717 120.300 -0.019 0.000 2.296 141 Y HA 0.302 4.852 4.550 0.000 0.000 0.343 141 Y C 1.547 177.433 175.900 -0.023 0.000 1.292 141 Y CA 0.576 58.661 58.100 -0.024 0.000 1.490 141 Y CB 0.913 39.356 38.460 -0.028 0.000 1.359 141 Y HN 0.448 nan 8.280 nan 0.000 0.599 142 G N 0.161 109.054 108.800 0.155 0.000 2.332 142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 142 G C -1.791 173.132 174.900 0.038 0.000 1.329 142 G CA -0.861 44.282 45.100 0.073 0.000 0.949 142 G HN 0.525 nan 8.290 nan 0.000 0.476 143 D N 0.523 120.936 120.400 0.022 0.000 2.508 143 D HA 0.444 5.084 4.640 0.000 0.000 0.224 143 D C 1.374 177.681 176.300 0.012 0.000 1.171 143 D CA 0.095 54.102 54.000 0.012 0.000 1.006 143 D CB 0.697 41.504 40.800 0.011 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.843 122.763 119.914 0.009 0.000 2.575 144 V HA -0.031 4.089 4.120 0.000 0.000 0.242 144 V C 1.880 177.977 176.094 0.006 0.000 1.045 144 V CA 0.781 63.084 62.300 0.004 0.000 1.065 144 V CB -0.123 31.699 31.823 -0.002 0.000 0.717 144 V HN 0.555 nan 8.190 nan 0.000 0.467 145 M N -0.414 119.188 119.600 0.003 0.000 2.371 145 M HA 0.282 4.763 4.480 0.000 0.000 0.246 145 M C 0.370 176.684 176.300 0.024 0.000 1.103 145 M CA 0.093 55.399 55.300 0.009 0.000 1.010 145 M CB -0.652 31.945 32.600 -0.005 0.000 1.457 145 M HN 0.387 nan 8.290 nan 0.000 0.486 146 N N 1.148 119.861 118.700 0.022 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.021 176.568 175.510 0.063 0.000 0.993 146 N CA 0.264 53.337 53.050 0.038 0.000 0.759 146 N CB -1.236 37.280 38.487 0.047 0.000 0.906 146 N HN 0.156 nan 8.380 nan 0.000 0.541 147 V N -0.198 119.736 119.914 0.033 0.000 2.287 147 V HA -0.109 4.011 4.120 0.000 0.000 0.248 147 V C 1.408 177.600 176.094 0.163 0.000 1.053 147 V CA 1.559 63.889 62.300 0.050 0.000 1.027 147 V CB 0.021 31.762 31.823 -0.137 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 0.425 121.045 120.570 0.084 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.140 175.014 176.117 0.062 0.000 1.009 148 I CA -0.305 61.056 61.300 0.101 0.000 1.111 148 I CB 1.759 39.799 38.000 0.066 0.000 1.262 148 I HN 0.223 nan 8.210 nan 0.000 0.443 149 D N 5.447 125.889 120.400 0.069 0.000 2.717 149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 149 D C -1.612 174.732 176.300 0.073 0.000 1.240 149 D CA -0.303 53.734 54.000 0.062 0.000 0.801 149 D CB 2.316 43.156 40.800 0.067 0.000 1.556 149 D HN 0.680 nan 8.370 nan 0.000 0.462 150 A N 2.625 125.490 122.820 0.075 0.000 2.555 150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 150 A C -2.847 174.815 177.584 0.130 0.000 1.060 150 A CA -1.206 50.900 52.037 0.114 0.000 0.710 150 A CB 1.158 20.209 19.000 0.084 0.000 1.282 150 A HN 0.433 nan 8.150 nan 0.000 0.399 151 P HA 0.339 nan 4.420 nan 0.000 0.268 151 P C 1.073 178.504 177.300 0.218 0.000 1.204 151 P CA 0.530 63.729 63.100 0.165 0.000 0.768 151 P CB 1.120 32.903 31.700 0.139 0.000 0.842 152 A N 3.024 125.926 122.820 0.138 0.000 1.978 152 A HA -0.020 4.300 4.320 0.000 0.000 0.220 152 A C 1.005 178.707 177.584 0.196 0.000 1.170 152 A CA 1.995 54.107 52.037 0.124 0.000 0.636 152 A CB -0.903 18.141 19.000 0.073 0.000 0.810 152 A HN 0.643 nan 8.150 nan 0.000 0.448 153 T N -3.858 110.803 114.554 0.178 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.874 173.848 174.700 0.038 0.000 1.158 153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 153 T CB 1.492 70.401 68.868 0.068 0.000 1.186 153 T HN 0.167 nan 8.240 nan 0.000 0.499 154 I N 1.734 122.248 120.570 -0.093 0.000 2.439 154 I HA 0.572 4.742 4.170 0.000 0.000 0.283 154 I C 0.614 176.651 176.117 -0.133 0.000 1.023 154 I CA -1.105 60.086 61.300 -0.182 0.000 1.100 154 I CB 1.446 39.201 38.000 -0.408 0.000 1.238 154 I HN 1.034 nan 8.210 nan 0.000 0.445 155 A N 4.728 127.499 122.820 -0.082 0.000 2.346 155 A HA 0.704 5.024 4.320 0.000 0.000 0.252 155 A C 0.642 178.187 177.584 -0.066 0.000 1.089 155 A CA -0.270 51.731 52.037 -0.060 0.000 0.797 155 A CB 0.440 19.419 19.000 -0.035 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.029 122.768 122.820 -0.039 0.000 2.566 156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 156 A C 1.622 179.191 177.584 -0.024 0.000 1.056 156 A CA 0.960 52.991 52.037 -0.011 0.000 0.757 156 A CB -1.115 17.911 19.000 0.042 0.000 0.979 156 A HN 2.751 nan 8.150 nan 0.000 0.508 157 G N 0.883 109.659 108.800 -0.039 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.564 175.431 174.900 -0.055 0.000 0.982 157 G CA 0.570 45.643 45.100 -0.044 0.000 0.632 157 G HN 2.180 nan 8.290 nan 0.000 0.529 158 A N -0.482 122.297 122.820 -0.068 0.000 2.264 158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 158 A C 0.258 177.787 177.584 -0.092 0.000 1.100 158 A CA 0.683 52.678 52.037 -0.070 0.000 0.839 158 A CB 1.053 20.014 19.000 -0.066 0.000 1.121 158 A HN 0.709 nan 8.150 nan 0.000 0.496 159 T N 0.537 115.048 114.554 -0.073 0.000 2.812 159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 159 T C 0.154 174.820 174.700 -0.058 0.000 0.990 159 T CA 0.056 62.112 62.100 -0.074 0.000 0.960 159 T CB 1.497 70.337 68.868 -0.047 0.000 0.948 159 T HN 1.044 nan 8.240 nan 0.000 0.438 160 G N 1.906 110.664 108.800 -0.070 0.000 2.400 160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 160 G C -0.883 174.033 174.900 0.027 0.000 1.143 160 G CA -0.576 44.510 45.100 -0.024 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.632 120.864 120.200 0.053 0.000 2.158 161 E HA 0.479 4.829 4.350 0.000 0.000 0.271 161 E C -0.910 175.750 176.600 0.100 0.000 0.911 161 E CA -0.517 55.925 56.400 0.070 0.000 0.767 161 E CB 2.382 32.112 29.700 0.050 0.000 1.120 161 E HN 0.133 nan 8.360 nan 0.000 0.405 162 L N 1.406 122.701 121.223 0.121 0.000 2.341 162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 162 L C 0.053 176.988 176.870 0.108 0.000 1.009 162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 162 L CB 2.103 44.273 42.059 0.185 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.231 116.843 114.554 0.097 0.000 2.921 163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 163 T C -1.092 173.653 174.700 0.076 0.000 1.013 163 T CA -0.364 61.785 62.100 0.081 0.000 0.990 163 T CB 1.639 70.574 68.868 0.113 0.000 1.023 163 T HN 0.439 nan 8.240 nan 0.000 0.447 164 M N 3.174 122.787 119.600 0.022 0.000 2.501 164 M HA 0.684 5.164 4.480 0.000 0.000 0.293 164 M C -2.375 173.878 176.300 -0.079 0.000 1.192 164 M CA -0.760 54.530 55.300 -0.017 0.000 0.886 164 M CB 1.695 34.261 32.600 -0.056 0.000 1.710 164 M HN 0.619 nan 8.290 nan 0.000 0.457 165 Y N 2.717 122.985 120.300 -0.053 0.000 2.462 165 Y HA 0.706 5.256 4.550 0.000 0.000 0.346 165 Y C -1.529 174.415 175.900 0.073 0.000 0.976 165 Y CA -0.328 57.853 58.100 0.136 0.000 1.044 165 Y CB 2.063 40.658 38.460 0.224 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.205 121.799 120.300 0.491 0.000 2.477 166 Y HA 0.283 4.833 4.550 0.000 0.000 0.347 166 Y C -1.021 175.096 175.900 0.363 0.000 0.981 166 Y CA -1.553 56.728 58.100 0.303 0.000 1.033 166 Y CB 2.038 40.562 38.460 0.108 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.008 126.391 121.300 0.140 0.000 2.361 167 W HA 0.666 5.326 4.660 0.000 0.000 0.314 167 W C -1.902 174.642 176.519 0.041 0.000 1.041 167 W CA -1.020 56.398 57.345 0.122 0.000 1.241 167 W CB 1.449 30.940 29.460 0.051 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.396 129.024 119.914 -0.477 0.000 2.334 168 V HA 0.190 4.310 4.120 0.000 0.000 0.267 168 V C -1.587 174.015 176.094 -0.821 0.000 1.040 168 V CA -1.521 60.511 62.300 -0.447 0.000 0.866 168 V CB 0.941 32.631 31.823 -0.221 0.000 1.019 168 V HN 0.357 nan 8.190 nan 0.000 0.468 169 P HA 0.393 nan 4.420 nan 0.000 0.286 169 P C 0.035 177.232 177.300 -0.171 0.000 1.261 169 P CA -0.312 62.623 63.100 -0.275 0.000 0.821 169 P CB 2.531 34.391 31.700 0.268 0.000 1.013 170 L N 1.310 122.474 121.223 -0.099 0.000 2.675 170 L HA 0.323 4.663 4.340 0.000 0.000 0.178 170 L C 1.363 178.362 176.870 0.215 0.000 1.135 170 L CA 0.101 54.901 54.840 -0.067 0.000 0.855 170 L CB -0.779 41.105 42.059 -0.292 0.000 1.235 170 L HN 0.325 nan 8.230 nan 0.000 0.499 171 A N -0.907 122.008 122.820 0.159 0.000 2.445 171 A HA -0.014 4.306 4.320 0.000 0.000 0.242 171 A C 0.525 178.262 177.584 0.255 0.000 1.075 171 A CA 0.027 52.179 52.037 0.192 0.000 0.777 171 A CB -0.016 19.060 19.000 0.126 0.000 1.013 171 A HN 0.361 nan 8.150 nan 0.000 0.493 172 Y N 2.251 122.540 120.300 -0.018 0.000 2.181 172 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 172 Y C 1.277 177.131 175.900 -0.077 0.000 1.146 172 Y CA 1.788 59.706 58.100 -0.304 0.000 1.164 172 Y CB 0.021 38.324 38.460 -0.260 0.000 0.982 172 Y HN 0.878 nan 8.280 nan 0.000 0.515 173 S N -2.423 113.254 115.700 -0.037 0.000 2.790 173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 173 S C 0.349 174.932 174.600 -0.028 0.000 1.197 173 S CA -0.622 57.513 58.200 -0.108 0.000 0.851 173 S CB 1.080 64.202 63.200 -0.130 0.000 1.217 173 S HN 0.082 nan 8.310 nan 0.000 0.526 174 E N 1.098 121.253 120.200 -0.076 0.000 2.274 174 E HA 0.002 4.352 4.350 0.000 0.000 0.194 174 E C 1.692 178.265 176.600 -0.044 0.000 0.996 174 E CA 1.817 58.174 56.400 -0.072 0.000 0.840 174 E CB -0.321 29.308 29.700 -0.118 0.000 0.772 174 E HN 0.847 nan 8.360 nan 0.000 0.491 175 T N -2.433 112.107 114.554 -0.024 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.444 175.152 174.700 0.014 0.000 1.021 175 T CA -0.306 61.787 62.100 -0.011 0.000 0.957 175 T CB 0.440 69.300 68.868 -0.012 0.000 1.047 175 T HN -0.208 nan 8.240 nan 0.000 0.511 176 D N 1.197 121.628 120.400 0.051 0.000 2.453 176 D HA 0.311 4.951 4.640 0.000 0.000 0.238 176 D C 0.626 176.963 176.300 0.062 0.000 1.088 176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 176 D CB 1.021 41.925 40.800 0.173 0.000 1.076 176 D HN 0.215 nan 8.370 nan 0.000 0.533 177 L N 2.500 123.732 121.223 0.014 0.000 2.627 177 L HA 0.085 4.425 4.340 0.000 0.000 0.233 177 L C 0.773 177.642 176.870 -0.002 0.000 1.144 177 L CA 0.159 55.009 54.840 0.016 0.000 0.892 177 L CB -0.345 41.714 42.059 0.001 0.000 1.039 177 L HN 0.255 nan 8.230 nan 0.000 0.442 178 T N 0.858 115.377 114.554 -0.058 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.259 175.951 174.700 -0.014 0.000 0.998 178 T CA 1.055 63.051 62.100 -0.174 0.000 1.162 178 T CB 0.846 69.397 68.868 -0.527 0.000 0.947 178 T HN 0.632 nan 8.240 nan 0.000 0.536 179 G N 2.051 110.871 108.800 0.034 0.000 2.195 179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 179 G C 0.363 175.376 174.900 0.189 0.000 0.984 179 G CA -0.030 45.191 45.100 0.202 0.000 0.633 179 G HN 1.159 nan 8.290 nan 0.000 0.525 180 A N -0.476 122.408 122.820 0.106 0.000 2.386 180 A HA 0.650 4.970 4.320 0.000 0.000 0.246 180 A C 0.403 178.029 177.584 0.070 0.000 1.089 180 A CA 0.747 52.821 52.037 0.060 0.000 0.790 180 A CB 0.874 19.897 19.000 0.037 0.000 1.042 180 A HN 1.195 nan 8.150 nan 0.000 0.497 181 V N 1.869 121.801 119.914 0.030 0.000 2.448 181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 181 V C -0.478 175.647 176.094 0.052 0.000 1.025 181 V CA -0.510 61.828 62.300 0.063 0.000 0.859 181 V CB 1.344 33.202 31.823 0.059 0.000 0.988 181 V HN 0.768 nan 8.190 nan 0.000 0.431 182 L N 5.177 126.438 121.223 0.064 0.000 2.325 182 L HA 0.589 4.929 4.340 0.000 0.000 0.284 182 L C 0.866 177.771 176.870 0.058 0.000 1.089 182 L CA 0.699 55.568 54.840 0.048 0.000 0.836 182 L CB 0.992 43.084 42.059 0.055 0.000 1.184 182 L HN 0.748 nan 8.230 nan 0.000 0.444 183 A N 2.621 125.465 122.820 0.040 0.000 2.469 183 A HA 0.246 4.566 4.320 0.000 0.000 0.245 183 A C 1.548 179.149 177.584 0.028 0.000 1.221 183 A CA 0.484 52.545 52.037 0.039 0.000 0.946 183 A CB -0.806 18.215 19.000 0.034 0.000 1.049 183 A HN 0.766 nan 8.150 nan 0.000 0.529 184 N N 0.366 119.088 118.700 0.038 0.000 2.459 184 N HA 0.341 5.081 4.740 0.000 0.000 0.181 184 N C 1.298 176.855 175.510 0.079 0.000 1.046 184 N CA 1.073 54.158 53.050 0.058 0.000 0.904 184 N CB -0.908 37.637 38.487 0.097 0.000 0.964 184 N HN 0.781 nan 8.380 nan 0.000 0.444 185 V N 0.315 120.277 119.914 0.080 0.000 4.119 185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 185 V C -1.141 174.985 176.094 0.054 0.000 0.996 185 V CA -0.513 61.833 62.300 0.076 0.000 1.027 185 V CB -1.132 30.735 31.823 0.074 0.000 1.193 185 V HN 0.306 nan 8.190 nan 0.000 0.454 186 P HA 0.189 nan 4.420 nan 0.000 0.274 186 P C 0.737 178.053 177.300 0.026 0.000 1.209 186 P CA 1.456 64.575 63.100 0.032 0.000 0.790 186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 187 Q N 0.951 120.762 119.800 0.017 0.000 2.369 187 Q HA -0.041 4.299 4.340 0.000 0.000 0.206 187 Q C 1.252 177.256 176.000 0.006 0.000 0.963 187 Q CA 1.300 57.110 55.803 0.011 0.000 0.894 187 Q CB -0.883 27.859 28.738 0.007 0.000 0.965 187 Q HN 0.514 nan 8.270 nan 0.000 0.475 188 S N 1.304 117.007 115.700 0.006 0.000 2.702 188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 188 S C 0.398 174.995 174.600 -0.005 0.000 1.244 188 S CA 0.181 58.379 58.200 -0.003 0.000 1.058 188 S CB 0.006 63.208 63.200 0.002 0.000 0.783 188 S HN 0.722 nan 8.310 nan 0.000 0.503 189 K N 4.347 124.734 120.400 -0.021 0.000 2.202 189 K HA 0.280 4.601 4.320 0.000 0.000 0.264 189 K C -0.068 176.505 176.600 -0.046 0.000 1.010 189 K CA -0.605 55.666 56.287 -0.027 0.000 0.940 189 K CB 0.543 33.020 32.500 -0.038 0.000 0.983 189 K HN 0.634 nan 8.250 nan 0.000 0.475 190 Q N 1.091 120.870 119.800 -0.035 0.000 2.212 190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 190 Q C -0.772 175.146 176.000 -0.137 0.000 0.955 190 Q CA -0.724 55.026 55.803 -0.088 0.000 0.906 190 Q CB 1.526 30.294 28.738 0.049 0.000 1.215 190 Q HN 0.462 nan 8.270 nan 0.000 0.478 191 R N 1.219 121.572 120.500 -0.246 0.000 2.483 191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 191 R C -1.627 174.557 176.300 -0.193 0.000 0.987 191 R CA -0.736 55.259 56.100 -0.176 0.000 0.881 191 R CB 1.190 31.402 30.300 -0.147 0.000 1.177 191 R HN 0.330 nan 8.270 nan 0.000 0.451 192 L N 3.787 124.906 121.223 -0.173 0.000 2.301 192 L HA 0.391 4.731 4.340 0.000 0.000 0.278 192 L C -0.865 175.906 176.870 -0.165 0.000 1.022 192 L CA -0.256 54.468 54.840 -0.194 0.000 0.854 192 L CB 0.810 42.606 42.059 -0.438 0.000 1.226 192 L HN 0.398 nan 8.230 nan 0.000 0.429 193 K N 6.147 126.478 120.400 -0.114 0.000 2.201 193 K HA 0.598 4.918 4.320 0.000 0.000 0.278 193 K C -1.220 175.258 176.600 -0.204 0.000 1.027 193 K CA -0.409 55.808 56.287 -0.117 0.000 0.909 193 K CB 1.345 33.818 32.500 -0.043 0.000 1.062 193 K HN 0.542 nan 8.250 nan 0.000 0.465 194 L N 2.470 123.546 121.223 -0.244 0.000 2.381 194 L HA 0.359 4.699 4.340 0.000 0.000 0.274 194 L C -0.435 176.199 176.870 -0.393 0.000 0.988 194 L CA -0.621 53.955 54.840 -0.439 0.000 0.824 194 L CB 1.937 43.596 42.059 -0.667 0.000 1.263 194 L HN 0.649 nan 8.230 nan 0.000 0.410 195 E N 3.208 123.156 120.200 -0.420 0.000 2.129 195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 195 E C -1.301 175.121 176.600 -0.297 0.000 0.900 195 E CA -0.609 55.650 56.400 -0.236 0.000 0.755 195 E CB 1.031 30.647 29.700 -0.139 0.000 1.117 195 E HN 0.300 nan 8.360 nan 0.000 0.410 196 F N 1.902 121.864 119.950 0.021 0.000 2.370 196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 196 F C 1.075 176.903 175.800 0.046 0.000 1.129 196 F CA -0.546 57.492 58.000 0.063 0.000 1.109 196 F CB 0.836 39.967 39.000 0.219 0.000 1.262 196 F HN 0.507 nan 8.300 nan 0.000 0.534 197 A N 1.657 124.623 122.820 0.244 0.000 2.448 197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 197 A C -0.260 177.382 177.584 0.097 0.000 1.080 197 A CA -0.168 51.971 52.037 0.169 0.000 0.779 197 A CB -0.195 18.954 19.000 0.249 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.707 118.105 118.700 0.188 0.000 3.102 198 N HA 0.255 4.995 4.740 0.000 0.000 0.299 198 N C -0.119 175.639 175.510 0.414 0.000 1.482 198 N CA -0.822 52.366 53.050 0.231 0.000 0.785 198 N CB 0.351 38.948 38.487 0.182 0.000 1.680 198 N HN 0.298 nan 8.380 nan 0.000 0.594 199 N N -0.569 118.398 118.700 0.445 0.000 2.520 199 N HA -0.036 4.704 4.740 0.000 0.000 0.185 199 N C -0.028 175.694 175.510 0.352 0.000 1.068 199 N CA 0.665 54.018 53.050 0.504 0.000 0.911 199 N CB -0.535 38.202 38.487 0.417 0.000 0.961 199 N HN 0.579 nan 8.380 nan 0.000 0.446 200 N N -1.029 117.809 118.700 0.229 0.000 2.388 200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 200 N C 1.504 177.084 175.510 0.117 0.000 1.062 200 N CA 0.802 53.952 53.050 0.166 0.000 0.895 200 N CB 0.389 38.954 38.487 0.130 0.000 1.018 200 N HN 0.244 nan 8.380 nan 0.000 0.456 201 T N -2.844 111.763 114.554 0.088 0.000 3.000 201 T HA 0.310 4.660 4.350 0.000 0.000 0.248 201 T C 1.849 176.514 174.700 -0.058 0.000 1.034 201 T CA 0.160 62.287 62.100 0.046 0.000 1.060 201 T CB 0.098 69.012 68.868 0.077 0.000 0.983 201 T HN 0.039 nan 8.240 nan 0.000 0.482 202 A N 0.803 123.478 122.820 -0.242 0.000 2.066 202 A HA 0.410 4.730 4.320 0.000 0.000 0.218 202 A C 0.287 177.365 177.584 -0.843 0.000 1.157 202 A CA 0.172 51.830 52.037 -0.632 0.000 0.670 202 A CB -0.626 17.773 19.000 -1.002 0.000 0.804 202 A HN 0.600 nan 8.150 nan 0.000 0.453 203 F N -0.849 119.160 119.950 0.098 0.000 2.477 203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 203 F C 0.221 176.055 175.800 0.057 0.000 1.130 203 F CA -0.810 57.231 58.000 0.069 0.000 0.948 203 F CB 1.748 40.767 39.000 0.032 0.000 1.154 203 F HN 0.050 nan 8.300 nan 0.000 0.439 204 A N 2.209 125.141 122.820 0.186 0.000 2.304 204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 204 A C -0.214 177.428 177.584 0.096 0.000 1.195 204 A CA -0.633 51.470 52.037 0.109 0.000 0.826 204 A CB 0.679 19.711 19.000 0.054 0.000 1.184 204 A HN 0.943 nan 8.150 nan 0.000 0.496 205 A N 1.800 124.665 122.820 0.076 0.000 2.366 205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 205 A C 0.431 178.034 177.584 0.032 0.000 1.084 205 A CA -0.294 51.772 52.037 0.049 0.000 0.794 205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 205 A HN 1.214 nan 8.150 nan 0.000 0.491 206 V N 1.370 121.293 119.914 0.016 0.000 2.694 206 V HA 0.354 4.474 4.120 0.000 0.000 0.306 206 V C 1.704 177.804 176.094 0.011 0.000 1.054 206 V CA 1.853 64.159 62.300 0.009 0.000 1.161 206 V CB 0.015 31.837 31.823 -0.002 0.000 0.916 206 V HN 1.981 nan 8.190 nan 0.000 0.490 207 G N 3.137 111.942 108.800 0.009 0.000 2.225 207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 207 G C 0.383 175.289 174.900 0.010 0.000 0.988 207 G CA 0.288 45.391 45.100 0.006 0.000 0.625 207 G HN 1.524 nan 8.290 nan 0.000 0.527 208 A N -0.233 122.599 122.820 0.019 0.000 2.264 208 A HA 0.674 4.994 4.320 0.000 0.000 0.304 208 A C 0.471 178.073 177.584 0.029 0.000 1.100 208 A CA 0.020 52.072 52.037 0.026 0.000 0.839 208 A CB 0.453 19.475 19.000 0.037 0.000 1.121 208 A HN 0.491 nan 8.150 nan 0.000 0.496 209 N N 1.170 119.892 118.700 0.036 0.000 2.452 209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 209 N C -1.773 173.761 175.510 0.040 0.000 1.209 209 N CA -1.283 51.804 53.050 0.061 0.000 0.929 209 N CB 1.007 39.533 38.487 0.065 0.000 1.063 209 N HN 0.351 nan 8.380 nan 0.000 0.472 210 P HA -0.000 nan 4.420 nan 0.000 0.261 210 P C 1.507 178.638 177.300 -0.282 0.000 1.268 210 P CA -0.135 62.899 63.100 -0.111 0.000 0.833 210 P CB 0.472 32.087 31.700 -0.141 0.000 1.231 211 L N 1.557 122.631 121.223 -0.248 0.000 2.010 211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 211 L C 1.737 178.404 176.870 -0.338 0.000 1.077 211 L CA 2.207 56.772 54.840 -0.459 0.000 0.773 211 L CB -0.887 41.145 42.059 -0.045 0.000 0.892 211 L HN -0.119 nan 8.230 nan 0.000 0.436 212 E N -0.008 120.154 120.200 -0.064 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.685 177.307 176.600 0.036 0.000 1.039 212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 212 E CB -0.065 29.719 29.700 0.139 0.000 0.970 212 E HN 0.577 nan 8.360 nan 0.000 0.486 213 A N 0.748 123.538 122.820 -0.050 0.000 2.271 213 A HA 0.506 4.826 4.320 0.000 0.000 0.288 213 A C 1.108 178.646 177.584 -0.077 0.000 1.094 213 A CA -0.444 51.557 52.037 -0.059 0.000 0.828 213 A CB 0.530 19.501 19.000 -0.048 0.000 1.091 213 A HN 0.047 nan 8.150 nan 0.000 0.493 214 I N -1.571 118.945 120.570 -0.091 0.000 3.039 214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 214 I C -0.353 175.578 176.117 -0.309 0.000 1.150 214 I CA 0.657 61.871 61.300 -0.142 0.000 1.448 214 I CB -0.011 37.966 38.000 -0.038 0.000 1.197 214 I HN 0.585 nan 8.210 nan 0.000 0.450 215 Y N 0.349 120.669 120.300 0.035 0.000 2.499 215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 215 Y C -0.237 175.717 175.900 0.091 0.000 0.987 215 Y CA -0.737 57.419 58.100 0.092 0.000 1.044 215 Y CB 1.764 40.331 38.460 0.179 0.000 1.245 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.305 121.229 119.800 0.206 0.000 2.359 216 Q HA 0.771 5.111 4.340 0.000 0.000 0.274 216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 216 Q CA -0.641 55.234 55.803 0.120 0.000 0.810 216 Q CB 2.693 31.457 28.738 0.044 0.000 1.342 216 Q HN 0.969 nan 8.270 nan 0.000 0.427 217 G N 0.340 109.172 108.800 0.053 0.000 2.336 217 G HA2 0.351 4.311 3.960 0.000 0.000 0.300 217 G HA3 0.351 4.311 3.960 0.000 0.000 0.300 217 G C -0.206 174.667 174.900 -0.044 0.000 1.375 217 G CA -0.129 44.974 45.100 0.004 0.000 0.885 217 G HN 0.739 nan 8.290 nan 0.000 0.599 218 A N -0.837 121.927 122.820 -0.093 0.000 2.024 218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 218 A C 2.280 179.673 177.584 -0.319 0.000 1.164 218 A CA 2.802 54.743 52.037 -0.159 0.000 0.643 218 A CB -0.492 18.410 19.000 -0.163 0.000 0.806 218 A HN 2.033 nan 8.150 nan 0.000 0.451 219 G N -1.698 106.888 108.800 -0.356 0.000 3.189 219 G HA2 0.348 4.308 3.960 0.000 0.000 0.225 219 G HA3 0.348 4.308 3.960 0.000 0.000 0.225 219 G C 1.266 176.072 174.900 -0.156 0.000 1.159 219 G CA 0.863 45.687 45.100 -0.460 0.000 0.763 219 G HN 0.626 nan 8.290 nan 0.000 0.549 220 A N 1.450 124.217 122.820 -0.087 0.000 1.892 220 A HA 0.103 4.423 4.320 0.000 0.000 0.218 220 A C 2.771 180.346 177.584 -0.016 0.000 1.188 220 A CA 2.232 54.259 52.037 -0.017 0.000 0.631 220 A CB -0.733 18.319 19.000 0.088 0.000 0.822 220 A HN 0.805 nan 8.150 nan 0.000 0.447 221 A N -0.646 122.192 122.820 0.030 0.000 2.032 221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 221 A C 1.344 178.934 177.584 0.011 0.000 1.165 221 A CA 1.806 53.873 52.037 0.050 0.000 0.645 221 A CB -0.357 18.686 19.000 0.071 0.000 0.807 221 A HN 0.488 nan 8.150 nan 0.000 0.453 222 D N -1.234 119.165 120.400 -0.003 0.000 2.424 222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 222 D C -0.363 175.821 176.300 -0.194 0.000 1.150 222 D CA -0.043 53.926 54.000 -0.052 0.000 0.831 222 D CB -0.096 40.712 40.800 0.013 0.000 0.981 222 D HN 0.290 nan 8.370 nan 0.000 0.500 223 C N 1.540 120.601 119.300 -0.398 0.000 2.398 223 C HA 0.571 5.031 4.460 0.000 0.000 0.364 223 C C 0.528 175.008 174.990 -0.850 0.000 1.219 223 C CA -0.508 58.031 59.018 -0.797 0.000 2.312 223 C CB 0.875 27.758 27.740 -1.428 0.000 2.428 223 C HN 0.399 nan 8.230 nan 0.000 0.564 224 E N 0.607 120.401 120.200 -0.677 0.000 2.407 224 E HA 0.458 4.808 4.350 0.000 0.000 0.279 224 E C -1.733 174.819 176.600 -0.079 0.000 1.012 224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 224 E CB 0.626 30.302 29.700 -0.039 0.000 1.276 224 E HN 0.401 nan 8.360 nan 0.000 0.452 225 F N 1.460 121.529 119.950 0.197 0.000 2.427 225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 225 F C 1.781 177.602 175.800 0.036 0.000 1.100 225 F CA 0.044 58.128 58.000 0.139 0.000 1.191 225 F CB 1.442 40.514 39.000 0.120 0.000 1.128 225 F HN 0.764 nan 8.300 nan 0.000 0.533 226 E N 2.425 122.735 120.200 0.183 0.000 2.076 226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 226 E C -0.241 176.396 176.600 0.061 0.000 0.979 226 E CA 0.889 57.339 56.400 0.083 0.000 0.807 226 E CB 0.367 30.090 29.700 0.038 0.000 0.761 226 E HN 0.806 nan 8.360 nan 0.000 0.454 227 E N -1.012 119.223 120.200 0.059 0.000 2.398 227 E HA 0.351 4.701 4.350 0.000 0.000 0.280 227 E C -1.304 175.162 176.600 -0.223 0.000 1.122 227 E CA -0.689 55.639 56.400 -0.120 0.000 0.873 227 E CB 0.543 30.163 29.700 -0.132 0.000 1.294 227 E HN 0.045 nan 8.360 nan 0.000 0.435 228 I N 0.956 121.158 120.570 -0.612 0.000 2.647 228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 228 I C -0.897 174.794 176.117 -0.711 0.000 1.078 228 I CA -0.945 59.930 61.300 -0.709 0.000 1.048 228 I CB 2.217 39.532 38.000 -1.142 0.000 1.239 228 I HN 0.562 nan 8.210 nan 0.000 0.421 229 S N 4.170 119.649 115.700 -0.369 0.000 2.549 229 S HA 0.782 5.252 4.470 0.000 0.000 0.280 229 S C -1.591 172.947 174.600 -0.103 0.000 1.109 229 S CA -0.435 57.609 58.200 -0.260 0.000 0.905 229 S CB 1.446 64.533 63.200 -0.188 0.000 1.081 229 S HN 0.484 nan 8.310 nan 0.000 0.477 230 Y N -0.179 120.037 120.300 -0.140 0.000 2.562 230 Y HA 0.829 5.379 4.550 0.000 0.000 0.345 230 Y C -0.867 175.006 175.900 -0.044 0.000 1.045 230 Y CA -0.841 57.236 58.100 -0.038 0.000 1.028 230 Y CB 1.411 39.917 38.460 0.077 0.000 1.297 230 Y HN 0.435 nan 8.280 nan 0.000 0.463 231 T N 2.883 117.550 114.554 0.189 0.000 2.928 231 T HA 0.536 4.886 4.350 0.000 0.000 0.296 231 T C -1.451 173.333 174.700 0.140 0.000 1.000 231 T CA -0.654 61.469 62.100 0.038 0.000 0.989 231 T CB 1.527 70.359 68.868 -0.060 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.067 124.037 119.914 0.092 0.000 2.398 232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 232 V C -1.147 174.980 176.094 0.055 0.000 1.026 232 V CA -0.768 61.629 62.300 0.161 0.000 0.868 232 V CB 0.906 32.825 31.823 0.160 0.000 0.982 232 V HN 0.818 nan 8.190 nan 0.000 0.443 233 Y N 2.979 123.460 120.300 0.303 0.000 2.352 233 Y HA 0.500 5.050 4.550 0.000 0.000 0.339 233 Y C 0.298 176.395 175.900 0.329 0.000 0.992 233 Y CA -0.330 57.946 58.100 0.292 0.000 1.100 233 Y CB 1.728 40.357 38.460 0.282 0.000 1.192 233 Y HN 0.566 nan 8.280 nan 0.000 0.458 234 Q N 2.166 122.233 119.800 0.445 0.000 2.271 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.258 234 Q C -0.887 175.281 176.000 0.279 0.000 0.936 234 Q CA -0.573 55.409 55.803 0.298 0.000 0.909 234 Q CB 1.326 30.267 28.738 0.339 0.000 1.253 234 Q HN 0.653 nan 8.270 nan 0.000 0.440 235 S N 4.387 120.155 115.700 0.114 0.000 2.433 235 S HA 0.621 5.091 4.470 0.000 0.000 0.310 235 S C -1.369 173.313 174.600 0.136 0.000 1.097 235 S CA -0.378 57.914 58.200 0.154 0.000 1.103 235 S CB 0.227 63.624 63.200 0.328 0.000 0.992 235 S HN 0.572 nan 8.310 nan 0.000 0.469 236 Y N 2.084 122.384 120.300 -0.000 0.000 2.689 236 Y HA 0.726 5.276 4.550 0.000 0.000 0.333 236 Y C -1.810 174.088 175.900 -0.004 0.000 1.190 236 Y CA -1.584 56.503 58.100 -0.022 0.000 1.063 236 Y CB 0.884 39.330 38.460 -0.023 0.000 1.294 236 Y HN 0.414 nan 8.280 nan 0.000 0.466 237 L N 2.406 123.709 121.223 0.132 0.000 2.313 237 L HA 0.478 4.818 4.340 0.000 0.000 0.283 237 L C -0.852 176.114 176.870 0.160 0.000 1.013 237 L CA -0.568 54.295 54.840 0.038 0.000 0.816 237 L CB 1.433 43.497 42.059 0.008 0.000 1.236 237 L HN 0.688 nan 8.230 nan 0.000 0.419 238 D N 1.808 122.281 120.400 0.122 0.000 2.449 238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 238 D C -0.339 176.023 176.300 0.103 0.000 1.050 238 D CA -0.017 54.090 54.000 0.179 0.000 1.024 238 D CB 1.427 42.370 40.800 0.237 0.000 1.218 238 D HN 0.362 nan 8.370 nan 0.000 0.566 239 Q N 0.160 120.014 119.800 0.089 0.000 2.463 239 Q HA -0.172 4.168 4.340 0.000 0.000 0.299 239 Q C -0.480 175.536 176.000 0.028 0.000 1.353 239 Q CA 0.363 56.208 55.803 0.070 0.000 0.828 239 Q CB -1.843 26.945 28.738 0.083 0.000 1.157 239 Q HN 0.470 nan 8.270 nan 0.000 0.436 240 L N 2.010 123.202 121.223 -0.052 0.000 2.490 240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 240 L C -1.054 175.790 176.870 -0.043 0.000 1.201 240 L CA -1.090 53.658 54.840 -0.153 0.000 0.869 240 L CB -0.206 41.554 42.059 -0.498 0.000 1.123 240 L HN 0.010 nan 8.230 nan 0.000 0.484 241 P HA 0.138 nan 4.420 nan 0.000 0.271 241 P C -0.822 176.572 177.300 0.158 0.000 1.216 241 P CA -0.177 62.964 63.100 0.069 0.000 0.771 241 P CB 1.385 33.110 31.700 0.041 0.000 0.864 242 V N 2.438 122.456 119.914 0.174 0.000 2.667 242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 242 V C 0.901 177.056 176.094 0.101 0.000 1.048 242 V CA -0.153 62.262 62.300 0.192 0.000 0.928 242 V CB 1.711 33.630 31.823 0.160 0.000 1.004 242 V HN 0.903 nan 8.190 nan 0.000 0.444 243 G N 1.164 110.012 108.800 0.080 0.000 3.247 243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 243 G C 0.545 175.462 174.900 0.029 0.000 1.220 243 G CA 0.572 45.701 45.100 0.049 0.000 0.875 243 G HN 0.745 nan 8.290 nan 0.000 0.606 244 Q N -1.447 118.366 119.800 0.022 0.000 1.921 244 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 244 Q C 2.560 178.563 176.000 0.006 0.000 0.994 244 Q CA 2.967 58.778 55.803 0.012 0.000 0.857 244 Q CB -1.988 26.757 28.738 0.011 0.000 0.925 244 Q HN 1.338 nan 8.270 nan 0.000 0.421 245 N N -0.092 118.614 118.700 0.010 0.000 2.519 245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 245 N C 1.466 176.972 175.510 -0.007 0.000 1.062 245 N CA 1.781 54.833 53.050 0.003 0.000 0.910 245 N CB -0.136 38.358 38.487 0.012 0.000 0.958 245 N HN 1.582 nan 8.380 nan 0.000 0.445 246 G N -1.875 106.926 108.800 0.001 0.000 2.250 246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 246 G C -0.807 174.140 174.900 0.077 0.000 1.308 246 G CA -0.415 44.667 45.100 -0.029 0.000 1.207 246 G HN 0.454 nan 8.290 nan 0.000 0.505 247 Y N 0.914 121.225 120.300 0.018 0.000 2.805 247 Y HA 0.223 4.773 4.550 0.000 0.000 0.331 247 Y C 1.341 177.252 175.900 0.018 0.000 1.241 247 Y CA -0.088 58.025 58.100 0.021 0.000 1.546 247 Y CB 0.198 38.673 38.460 0.024 0.000 1.248 247 Y HN 0.238 nan 8.280 nan 0.000 0.559 248 I N 6.725 127.405 120.570 0.184 0.000 2.308 248 I HA 0.122 4.292 4.170 0.000 0.000 0.293 248 I C -0.476 175.676 176.117 0.057 0.000 1.078 248 I CA 0.265 61.620 61.300 0.092 0.000 1.292 248 I CB 0.056 38.093 38.000 0.063 0.000 1.423 248 I HN 0.365 nan 8.210 nan 0.000 0.493 249 L N 8.628 129.883 121.223 0.054 0.000 2.401 249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 249 L C -2.421 174.459 176.870 0.017 0.000 0.991 249 L CA -1.877 52.980 54.840 0.028 0.000 0.818 249 L CB 2.526 44.612 42.059 0.045 0.000 1.321 249 L HN 0.344 nan 8.230 nan 0.000 0.413 250 P HA 0.166 nan 4.420 nan 0.000 0.273 250 P C 0.648 177.944 177.300 -0.007 0.000 1.428 250 P CA -0.233 62.862 63.100 -0.009 0.000 0.995 250 P CB 0.653 32.340 31.700 -0.020 0.000 1.286 251 L N 2.680 123.903 121.223 -0.001 0.000 2.131 251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 251 L C 2.371 179.234 176.870 -0.012 0.000 1.092 251 L CA 1.309 56.151 54.840 0.003 0.000 0.759 251 L CB -0.522 41.542 42.059 0.009 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.425 120.126 120.570 -0.031 0.000 2.233 252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 252 I C 2.110 178.181 176.117 -0.076 0.000 1.093 252 I CA 1.009 62.276 61.300 -0.055 0.000 1.380 252 I CB -0.418 37.538 38.000 -0.072 0.000 1.067 252 I HN 0.200 nan 8.210 nan 0.000 0.413 253 D N 1.334 121.688 120.400 -0.077 0.000 2.106 253 D HA -0.176 4.464 4.640 0.000 0.000 0.191 253 D C 2.194 178.469 176.300 -0.041 0.000 0.997 253 D CA 1.473 55.421 54.000 -0.087 0.000 0.834 253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.406 121.624 121.223 -0.009 0.000 2.465 254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 254 L C 1.706 178.599 176.870 0.038 0.000 1.145 254 L CA 0.737 55.593 54.840 0.028 0.000 0.834 254 L CB -0.240 41.839 42.059 0.033 0.000 0.944 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.018 112.689 115.700 0.010 0.000 2.568 255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 255 S C 0.563 175.159 174.600 -0.006 0.000 0.975 255 S CA -0.537 57.672 58.200 0.014 0.000 0.949 255 S CB 0.082 63.287 63.200 0.008 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.479 256 T N 2.747 117.286 114.554 -0.026 0.000 2.855 256 T HA 0.602 4.952 4.350 0.000 0.000 0.281 256 T C -0.606 174.088 174.700 -0.010 0.000 1.007 256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 256 T CB 1.406 70.170 68.868 -0.174 0.000 0.983 256 T HN 0.240 nan 8.240 nan 0.000 0.455 257 L N 2.949 124.166 121.223 -0.009 0.000 2.295 257 L HA 0.505 4.845 4.340 0.000 0.000 0.285 257 L C -1.025 175.933 176.870 0.147 0.000 1.035 257 L CA -1.129 53.687 54.840 -0.040 0.000 0.806 257 L CB 0.869 42.784 42.059 -0.239 0.000 1.214 257 L HN 0.627 nan 8.230 nan 0.000 0.426 258 Y N 4.071 124.425 120.300 0.090 0.000 2.388 258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 258 Y C -0.928 174.926 175.900 -0.076 0.000 0.963 258 Y CA -1.138 57.063 58.100 0.168 0.000 1.240 258 Y CB 0.650 39.342 38.460 0.386 0.000 1.118 258 Y HN 0.531 nan 8.280 nan 0.000 0.484 259 N N 5.858 124.112 118.700 -0.743 0.000 2.312 259 N HA 0.572 5.312 4.740 0.000 0.000 0.296 259 N C -1.520 173.474 175.510 -0.860 0.000 1.193 259 N CA -0.660 51.893 53.050 -0.827 0.000 0.773 259 N CB 2.368 40.361 38.487 -0.823 0.000 1.435 259 N HN 0.567 nan 8.380 nan 0.000 0.484 260 L N 0.493 121.420 121.223 -0.492 0.000 2.346 260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 260 L C 0.018 176.883 176.870 -0.007 0.000 1.006 260 L CA -0.546 54.181 54.840 -0.189 0.000 0.817 260 L CB 1.712 43.647 42.059 -0.207 0.000 1.272 260 L HN 0.379 nan 8.230 nan 0.000 0.421 261 E N 2.081 122.414 120.200 0.221 0.000 2.390 261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 261 E C -1.506 175.193 176.600 0.165 0.000 0.939 261 E CA -0.820 55.711 56.400 0.218 0.000 0.769 261 E CB 3.088 33.000 29.700 0.354 0.000 1.251 261 E HN 0.669 nan 8.360 nan 0.000 0.450 262 N N -0.006 118.726 118.700 0.054 0.000 2.453 262 N HA 0.566 5.306 4.740 0.000 0.000 0.290 262 N C -1.085 174.462 175.510 0.062 0.000 1.250 262 N CA -0.609 52.401 53.050 -0.066 0.000 0.815 262 N CB 1.853 40.202 38.487 -0.230 0.000 1.381 262 N HN 0.472 nan 8.380 nan 0.000 0.510 263 S N -1.989 113.748 115.700 0.062 0.000 2.615 263 S HA 0.863 5.333 4.470 0.000 0.000 0.269 263 S C -1.656 173.010 174.600 0.110 0.000 1.161 263 S CA -0.899 57.369 58.200 0.113 0.000 0.817 263 S CB 1.099 64.407 63.200 0.181 0.000 1.131 263 S HN 1.092 nan 8.310 nan 0.000 0.467 264 A N 0.864 123.757 122.820 0.121 0.000 2.414 264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 264 A C -1.161 176.510 177.584 0.144 0.000 1.054 264 A CA -0.683 51.437 52.037 0.138 0.000 0.724 264 A CB 1.609 20.691 19.000 0.136 0.000 1.267 264 A HN 0.689 nan 8.150 nan 0.000 0.418 265 Q N 0.096 120.006 119.800 0.183 0.000 2.372 265 Q HA 0.726 5.066 4.340 0.000 0.000 0.273 265 Q C -0.700 175.469 176.000 0.281 0.000 1.078 265 Q CA -0.598 55.360 55.803 0.259 0.000 0.806 265 Q CB 2.517 31.455 28.738 0.333 0.000 1.332 265 Q HN 1.085 nan 8.270 nan 0.000 0.435 266 A N -0.434 122.558 122.820 0.285 0.000 2.486 266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 266 A C 0.209 177.909 177.584 0.194 0.000 1.176 266 A CA -0.138 51.968 52.037 0.115 0.000 0.757 266 A CB 1.611 20.650 19.000 0.064 0.000 1.337 266 A HN 1.004 nan 8.150 nan 0.000 0.423 267 G N -0.915 107.884 108.800 -0.002 0.000 2.155 267 G HA2 0.014 3.974 3.960 0.000 0.000 0.135 267 G HA3 0.014 3.974 3.960 0.000 0.000 0.135 267 G C -0.400 174.483 174.900 -0.029 0.000 1.023 267 G CA -0.079 45.078 45.100 0.096 0.000 0.688 267 G HN 0.780 nan 8.290 nan 0.000 0.499 268 L N 1.376 122.358 121.223 -0.403 0.000 2.397 268 L HA 0.684 5.024 4.340 0.000 0.000 0.271 268 L C 0.585 177.357 176.870 -0.163 0.000 1.148 268 L CA 0.292 54.859 54.840 -0.456 0.000 0.825 268 L CB 1.447 43.112 42.059 -0.658 0.000 1.117 268 L HN 0.162 nan 8.230 nan 0.000 0.456 269 T N 2.403 116.898 114.554 -0.099 0.000 2.916 269 T HA 0.372 4.722 4.350 0.000 0.000 0.298 269 T C -2.636 172.030 174.700 -0.057 0.000 1.031 269 T CA -1.389 60.680 62.100 -0.051 0.000 0.993 269 T CB 1.919 70.778 68.868 -0.014 0.000 1.045 269 T HN 0.214 nan 8.240 nan 0.000 0.454 270 P HA 0.054 nan 4.420 nan 0.000 0.261 270 P C 0.363 177.635 177.300 -0.047 0.000 1.173 270 P CA 0.439 63.512 63.100 -0.044 0.000 0.760 270 P CB 0.146 31.830 31.700 -0.026 0.000 0.783 271 N N -0.903 117.755 118.700 -0.069 0.000 2.753 271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 271 N C -0.608 174.867 175.510 -0.058 0.000 1.097 271 N CA 0.755 53.766 53.050 -0.066 0.000 0.786 271 N CB -1.651 36.820 38.487 -0.027 0.000 1.137 271 N HN 0.186 nan 8.380 nan 0.000 0.566 272 V N 0.923 120.798 119.914 -0.065 0.000 2.555 272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 272 V C 0.092 176.157 176.094 -0.048 0.000 1.038 272 V CA -0.847 61.433 62.300 -0.033 0.000 0.887 272 V CB 2.160 33.981 31.823 -0.003 0.000 0.991 272 V HN -0.053 nan 8.190 nan 0.000 0.434 273 D N 3.316 123.699 120.400 -0.029 0.000 2.434 273 D HA 0.127 4.767 4.640 0.000 0.000 0.252 273 D C -0.572 175.744 176.300 0.026 0.000 1.185 273 D CA 0.495 54.474 54.000 -0.035 0.000 0.886 273 D CB 0.419 41.221 40.800 0.004 0.000 1.148 273 D HN 0.342 nan 8.370 nan 0.000 0.483 274 F N 3.596 123.452 119.950 -0.157 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.722 175.020 175.800 -0.096 0.000 1.122 274 F CA -0.805 57.120 58.000 -0.125 0.000 1.090 274 F CB 0.811 39.709 39.000 -0.171 0.000 1.150 274 F HN -0.000 nan 8.300 nan 0.000 0.472 275 V N 6.965 126.608 119.914 -0.452 0.000 2.384 275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 275 V C -0.571 175.270 176.094 -0.422 0.000 1.020 275 V CA -0.893 61.215 62.300 -0.320 0.000 0.850 275 V CB 1.421 33.134 31.823 -0.183 0.000 0.987 275 V HN 0.492 nan 8.190 nan 0.000 0.436 276 V N 5.465 125.229 119.914 -0.251 0.000 2.328 276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 276 V C 0.227 176.185 176.094 -0.227 0.000 1.021 276 V CA -0.590 61.574 62.300 -0.226 0.000 0.838 276 V CB 1.083 32.838 31.823 -0.112 0.000 0.999 276 V HN 0.925 nan 8.190 nan 0.000 0.447 277 Q N 3.218 122.895 119.800 -0.205 0.000 2.352 277 Q HA 0.344 4.684 4.340 0.000 0.000 0.260 277 Q C -1.143 174.609 176.000 -0.413 0.000 0.976 277 Q CA -0.022 55.648 55.803 -0.222 0.000 0.881 277 Q CB 0.980 29.645 28.738 -0.122 0.000 1.235 277 Q HN 0.655 nan 8.270 nan 0.000 0.419 278 Y N 0.206 120.251 120.300 -0.426 0.000 2.320 278 Y HA 0.403 4.953 4.550 0.000 0.000 0.324 278 Y C 0.480 175.937 175.900 -0.740 0.000 1.190 278 Y CA -0.565 57.151 58.100 -0.639 0.000 1.215 278 Y CB 1.080 39.127 38.460 -0.689 0.000 1.221 278 Y HN 0.668 nan 8.280 nan 0.000 0.486 279 A N 2.412 124.960 122.820 -0.454 0.000 2.272 279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 279 A C -0.257 177.123 177.584 -0.340 0.000 1.096 279 A CA -0.730 50.872 52.037 -0.726 0.000 0.822 279 A CB 0.058 18.820 19.000 -0.397 0.000 1.088 279 A HN 0.876 nan 8.150 nan 0.000 0.495 280 N N -1.421 117.112 118.700 -0.279 0.000 2.447 280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 280 N C 0.203 175.607 175.510 -0.176 0.000 1.226 280 N CA -0.021 52.915 53.050 -0.190 0.000 0.980 280 N CB 1.037 39.444 38.487 -0.133 0.000 1.206 280 N HN 1.417 nan 8.380 nan 0.000 0.558 281 L N -3.361 117.808 121.223 -0.089 0.000 3.121 281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 281 L C -1.050 176.101 176.870 0.468 0.000 0.695 281 L CA 1.596 56.541 54.840 0.176 0.000 3.096 281 L CB -1.767 40.337 42.059 0.074 0.000 0.683 281 L HN 0.745 nan 8.230 nan 0.000 0.743 282 Y N 1.910 122.223 120.300 0.021 0.000 2.309 282 Y HA 0.481 5.031 4.550 0.000 0.000 0.327 282 Y C 0.803 176.709 175.900 0.011 0.000 1.172 282 Y CA -0.922 57.053 58.100 -0.209 0.000 1.280 282 Y CB 0.504 38.364 38.460 -1.000 0.000 1.234 282 Y HN 0.069 nan 8.280 nan 0.000 0.512 283 R N 3.862 124.459 120.500 0.161 0.000 2.280 283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 283 R C -1.695 174.668 176.300 0.104 0.000 1.080 283 R CA -0.643 55.550 56.100 0.155 0.000 1.002 283 R CB 0.271 30.598 30.300 0.045 0.000 1.136 283 R HN 0.578 nan 8.270 nan 0.000 0.509 284 Y N 2.959 123.363 120.300 0.173 0.000 2.531 284 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 284 Y C 1.562 177.522 175.900 0.099 0.000 1.024 284 Y CA -0.189 58.027 58.100 0.193 0.000 1.306 284 Y CB 0.607 39.191 38.460 0.207 0.000 1.149 284 Y HN 0.440 nan 8.280 nan 0.000 0.527 285 L N 1.911 123.253 121.223 0.198 0.000 2.162 285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 285 L C 0.769 177.749 176.870 0.183 0.000 1.086 285 L CA 0.628 55.527 54.840 0.098 0.000 0.778 285 L CB -0.128 41.911 42.059 -0.034 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.967 113.903 115.700 0.283 0.000 2.570 286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 286 S C -0.615 174.172 174.600 0.311 0.000 1.149 286 S CA -0.684 57.653 58.200 0.230 0.000 0.837 286 S CB 2.380 65.768 63.200 0.313 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.982 116.630 114.554 0.157 0.000 2.886 287 T HA 0.612 4.962 4.350 0.000 0.000 0.292 287 T C -0.933 173.737 174.700 -0.050 0.000 1.012 287 T CA -0.421 61.719 62.100 0.066 0.000 0.982 287 T CB 0.884 69.830 68.868 0.131 0.000 1.018 287 T HN 0.660 nan 8.240 nan 0.000 0.451 288 I N 2.275 122.746 120.570 -0.164 0.000 2.465 288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 288 I C -0.379 175.595 176.117 -0.238 0.000 1.014 288 I CA -0.979 60.280 61.300 -0.069 0.000 1.093 288 I CB 1.751 39.814 38.000 0.105 0.000 1.267 288 I HN 0.727 nan 8.210 nan 0.000 0.431 289 A N 6.368 129.110 122.820 -0.130 0.000 2.335 289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 289 A C -1.100 176.589 177.584 0.175 0.000 1.118 289 A CA -0.472 51.506 52.037 -0.099 0.000 0.757 289 A CB 1.378 20.209 19.000 -0.282 0.000 1.188 289 A HN 0.394 nan 8.150 nan 0.000 0.460 290 V N 3.307 123.351 119.914 0.217 0.000 2.370 290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 290 V C -0.661 175.650 176.094 0.361 0.000 1.023 290 V CA -0.389 62.086 62.300 0.292 0.000 0.857 290 V CB 1.208 33.170 31.823 0.232 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.320 125.387 119.950 0.196 0.000 2.406 291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 291 F C 0.439 176.143 175.800 -0.161 0.000 1.161 291 F CA -1.854 56.174 58.000 0.046 0.000 1.185 291 F CB 0.180 39.225 39.000 0.076 0.000 1.421 291 F HN 0.607 nan 8.300 nan 0.000 0.576 292 D N 4.135 124.534 120.400 -0.002 0.000 2.435 292 D HA -0.027 4.613 4.640 0.000 0.000 0.230 292 D C -0.067 175.907 176.300 -0.543 0.000 1.215 292 D CA 0.090 53.773 54.000 -0.527 0.000 0.947 292 D CB -0.314 40.426 40.800 -0.101 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.863 120.989 118.700 -0.958 0.000 3.178 293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 293 N C 0.739 175.954 175.510 -0.493 0.000 1.242 293 N CA 0.454 52.995 53.050 -0.848 0.000 1.192 293 N CB -0.463 37.328 38.487 -1.160 0.000 1.463 293 N HN 0.617 nan 8.380 nan 0.000 0.539 294 G N 0.789 109.397 108.800 -0.321 0.000 2.295 294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 294 G C 0.966 175.741 174.900 -0.208 0.000 1.055 294 G CA 0.514 45.492 45.100 -0.203 0.000 0.922 294 G HN 1.084 nan 8.290 nan 0.000 0.503 295 G N -2.335 106.299 108.800 -0.278 0.000 2.195 295 G HA2 -0.054 3.906 3.960 0.000 0.000 0.246 295 G HA3 -0.054 3.906 3.960 0.000 0.000 0.246 295 G C 0.461 175.239 174.900 -0.204 0.000 0.984 295 G CA 0.683 45.689 45.100 -0.157 0.000 0.633 295 G HN 1.751 nan 8.290 nan 0.000 0.525 296 S N 0.113 115.561 115.700 -0.420 0.000 2.489 296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 296 S C -0.820 173.388 174.600 -0.653 0.000 1.151 296 S CA -0.335 57.666 58.200 -0.332 0.000 1.082 296 S CB 0.929 63.969 63.200 -0.267 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.914 122.762 119.950 -0.170 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.468 176.208 175.800 -0.100 0.000 1.125 297 F CA -0.853 57.056 58.000 -0.153 0.000 0.983 297 F CB 1.172 40.084 39.000 -0.147 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.421 120.121 118.700 -0.001 0.000 2.430 298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 298 N C -0.486 175.092 175.510 0.114 0.000 1.130 298 N CA -0.706 52.365 53.050 0.034 0.000 0.894 298 N CB 2.197 40.669 38.487 -0.024 0.000 1.209 298 N HN 0.563 nan 8.380 nan 0.000 0.503 299 A N 0.523 123.406 122.820 0.105 0.000 3.037 299 A HA 0.469 4.789 4.320 0.000 0.000 0.272 299 A C 1.330 179.024 177.584 0.183 0.000 1.723 299 A CA 0.281 52.398 52.037 0.134 0.000 1.413 299 A CB -1.395 17.663 19.000 0.096 0.000 1.112 299 A HN 0.906 nan 8.150 nan 0.000 0.606 300 G N 1.119 110.092 108.800 0.288 0.000 2.257 300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 300 G C 1.279 176.266 174.900 0.145 0.000 0.984 300 G CA 1.606 46.868 45.100 0.269 0.000 0.626 300 G HN 1.496 nan 8.290 nan 0.000 0.540 301 T N -0.736 113.884 114.554 0.110 0.000 3.007 301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 301 T C 1.507 176.238 174.700 0.051 0.000 1.107 301 T CA 1.797 63.938 62.100 0.067 0.000 1.118 301 T CB -0.197 68.698 68.868 0.046 0.000 0.889 301 T HN 0.606 nan 8.240 nan 0.000 0.506 302 D N 0.411 120.852 120.400 0.070 0.000 2.368 302 D HA 0.228 4.868 4.640 0.000 0.000 0.218 302 D C 0.216 176.600 176.300 0.139 0.000 1.112 302 D CA -0.468 53.581 54.000 0.081 0.000 0.834 302 D CB -0.274 40.535 40.800 0.016 0.000 0.953 302 D HN 0.471 nan 8.370 nan 0.000 0.505 303 I N 0.429 121.037 120.570 0.064 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.643 176.711 176.117 -0.083 0.000 1.040 303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 303 I CB 2.123 40.024 38.000 -0.166 0.000 1.251 303 I HN -0.270 nan 8.210 nan 0.000 0.424 304 N N 3.694 122.296 118.700 -0.162 0.000 2.197 304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 304 N C -0.592 174.922 175.510 0.006 0.000 1.030 304 N CA 1.371 54.369 53.050 -0.087 0.000 0.851 304 N CB 0.286 38.678 38.487 -0.157 0.000 1.003 304 N HN 0.632 nan 8.380 nan 0.000 0.430 305 Y N -1.934 118.283 120.300 -0.137 0.000 2.713 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 305 Y C -1.783 173.935 175.900 -0.305 0.000 1.222 305 Y CA -1.429 56.571 58.100 -0.166 0.000 1.061 305 Y CB 0.474 38.879 38.460 -0.091 0.000 1.314 305 Y HN -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.694 122.832 121.223 -0.141 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.093 176.635 176.870 -0.236 0.000 1.014 306 L CA -0.543 53.968 54.840 -0.547 0.000 0.820 306 L CB 2.203 43.426 42.059 -1.393 0.000 1.352 306 L HN 0.902 nan 8.230 nan 0.000 0.421 307 S N -0.178 115.298 115.700 -0.374 0.000 2.636 307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 307 S C -2.102 172.390 174.600 -0.180 0.000 1.147 307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 307 S CB 1.536 64.748 63.200 0.021 0.000 1.119 307 S HN 0.577 nan 8.310 nan 0.000 0.470 308 Q N 1.128 120.936 119.800 0.013 0.000 2.321 308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 308 Q C -1.017 175.003 176.000 0.034 0.000 1.032 308 Q CA -0.596 55.239 55.803 0.054 0.000 0.784 308 Q CB 2.353 31.175 28.738 0.140 0.000 1.264 308 Q HN 0.558 nan 8.270 nan 0.000 0.448 309 R N 1.020 121.542 120.500 0.036 0.000 2.686 309 R HA 0.549 4.889 4.340 0.000 0.000 0.283 309 R C -1.185 175.124 176.300 0.015 0.000 0.978 309 R CA -0.339 55.770 56.100 0.015 0.000 0.897 309 R CB 1.735 32.036 30.300 0.001 0.000 1.192 309 R HN 0.698 nan 8.270 nan 0.000 0.457 310 T N 0.759 115.313 114.554 0.000 0.000 2.794 310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 310 T C 0.243 174.938 174.700 -0.009 0.000 0.987 310 T CA -0.753 61.343 62.100 -0.007 0.000 0.993 310 T CB 1.672 70.531 68.868 -0.013 0.000 0.939 310 T HN 0.694 nan 8.240 nan 0.000 0.449 311 A N 2.506 125.320 122.820 -0.010 0.000 2.566 311 A HA 0.456 4.776 4.320 0.000 0.000 0.245 311 A C 1.461 179.039 177.584 -0.011 0.000 1.056 311 A CA 0.563 52.593 52.037 -0.010 0.000 0.757 311 A CB -1.949 17.045 19.000 -0.010 0.000 0.979 311 A HN 2.486 nan 8.150 nan 0.000 0.508 312 N N -1.034 117.660 118.700 -0.010 0.000 2.756 312 N HA 0.237 4.977 4.740 0.000 0.000 0.248 312 N C 0.325 175.828 175.510 -0.010 0.000 1.062 312 N CA 2.086 55.130 53.050 -0.010 0.000 0.696 312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 312 N HN 2.497 nan 8.380 nan 0.000 0.548 313 F N -1.947 117.996 119.950 -0.011 0.000 3.281 313 F HA 0.753 5.280 4.527 0.000 0.000 0.339 313 F C 1.330 177.122 175.800 -0.014 0.000 1.275 313 F CA 1.314 59.307 58.000 -0.012 0.000 0.843 313 F CB -0.834 38.160 39.000 -0.011 0.000 1.717 313 F HN 1.988 nan 8.300 nan 0.000 0.480 314 S N 0.175 115.866 115.700 -0.015 0.000 3.160 314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 314 S C -0.365 174.224 174.600 -0.018 0.000 2.861 314 S CA 1.517 59.706 58.200 -0.019 0.000 3.097 314 S CB -1.141 62.044 63.200 -0.025 0.000 0.331 314 S HN 1.122 nan 8.310 nan 0.000 1.767 315 D N 0.779 121.163 120.400 -0.026 0.000 2.302 315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 315 D C 1.215 177.506 176.300 -0.016 0.000 1.094 315 D CA 0.405 54.393 54.000 -0.021 0.000 0.897 315 D CB 1.051 41.827 40.800 -0.039 0.000 1.200 315 D HN 0.639 nan 8.370 nan 0.000 0.429 316 T N -1.211 113.342 114.554 -0.003 0.000 3.044 316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 316 T C 0.691 175.391 174.700 -0.001 0.000 1.081 316 T CA -0.364 61.734 62.100 -0.005 0.000 1.040 316 T CB -0.057 68.808 68.868 -0.004 0.000 0.962 316 T HN 0.596 nan 8.240 nan 0.000 0.506 317 R N 0.283 120.794 120.500 0.020 0.000 2.747 317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 317 R C -0.949 175.422 176.300 0.117 0.000 1.438 317 R CA -0.653 55.472 56.100 0.041 0.000 1.334 317 R CB -0.333 29.967 30.300 0.000 0.000 1.523 317 R HN 0.084 nan 8.270 nan 0.000 0.741 318 K N 3.011 123.435 120.400 0.039 0.000 2.310 318 K HA 0.322 4.642 4.320 0.000 0.000 0.290 318 K C -0.966 175.654 176.600 0.034 0.000 1.077 318 K CA -0.175 56.110 56.287 -0.003 0.000 0.922 318 K CB 0.520 32.906 32.500 -0.189 0.000 1.057 318 K HN 0.453 nan 8.250 nan 0.000 0.479 319 L N 3.324 124.655 121.223 0.180 0.000 2.388 319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 319 L C -0.422 176.581 176.870 0.221 0.000 0.998 319 L CA -1.369 53.597 54.840 0.209 0.000 0.817 319 L CB 2.048 44.304 42.059 0.329 0.000 1.338 319 L HN 0.745 nan 8.230 nan 0.000 0.414 320 D N 0.520 121.023 120.400 0.171 0.000 2.368 320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 320 D C -2.110 174.302 176.300 0.188 0.000 1.169 320 D CA -1.149 52.945 54.000 0.157 0.000 0.906 320 D CB 0.620 41.492 40.800 0.120 0.000 1.187 320 D HN 0.195 nan 8.370 nan 0.000 0.435 321 P HA -0.200 nan 4.420 nan 0.000 0.216 321 P C 1.002 178.473 177.300 0.286 0.000 1.153 321 P CA 1.533 64.737 63.100 0.173 0.000 0.858 321 P CB 0.110 31.880 31.700 0.117 0.000 0.789 322 K N -1.199 119.329 120.400 0.214 0.000 2.097 322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 322 K C 1.953 178.678 176.600 0.208 0.000 1.050 322 K CA 1.602 58.008 56.287 0.200 0.000 0.938 322 K CB -0.703 31.880 32.500 0.138 0.000 0.718 322 K HN 0.157 nan 8.250 nan 0.000 0.442 323 T N 0.517 115.191 114.554 0.199 0.000 2.904 323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 323 T C 1.178 176.012 174.700 0.222 0.000 1.059 323 T CA 0.647 62.849 62.100 0.171 0.000 1.137 323 T CB -0.133 68.817 68.868 0.135 0.000 0.879 323 T HN 0.430 nan 8.240 nan 0.000 0.467 324 W N 2.150 123.520 121.300 0.117 0.000 2.381 324 W HA -0.062 4.598 4.660 0.000 0.000 0.301 324 W C 2.445 179.082 176.519 0.198 0.000 1.205 324 W CA 1.217 58.651 57.345 0.150 0.000 1.285 324 W CB -0.562 28.994 29.460 0.161 0.000 1.133 324 W HN 0.288 nan 8.180 nan 0.000 0.521 325 A N 0.881 123.994 122.820 0.489 0.000 1.972 325 A HA -0.057 4.263 4.320 0.000 0.000 0.219 325 A C 2.178 179.882 177.584 0.201 0.000 1.169 325 A CA 2.461 54.720 52.037 0.369 0.000 0.635 325 A CB -1.192 17.999 19.000 0.319 0.000 0.810 325 A HN 0.286 nan 8.150 nan 0.000 0.446 326 A N -0.733 122.179 122.820 0.153 0.000 1.902 326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 326 A C 2.095 179.711 177.584 0.053 0.000 1.181 326 A CA 1.691 53.781 52.037 0.088 0.000 0.623 326 A CB -0.463 18.581 19.000 0.073 0.000 0.818 326 A HN 0.509 nan 8.150 nan 0.000 0.443 327 Q N -0.441 119.368 119.800 0.014 0.000 2.124 327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 327 Q C 2.115 178.132 176.000 0.027 0.000 0.977 327 Q CA 2.014 57.795 55.803 -0.036 0.000 0.850 327 Q CB -1.326 27.305 28.738 -0.178 0.000 0.901 327 Q HN 0.637 nan 8.270 nan 0.000 0.429 328 T N 1.242 115.850 114.554 0.090 0.000 2.821 328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 328 T C 1.819 176.582 174.700 0.105 0.000 1.046 328 T CA 0.819 63.045 62.100 0.210 0.000 1.139 328 T CB -0.062 69.027 68.868 0.368 0.000 0.871 328 T HN 0.268 nan 8.240 nan 0.000 0.454 329 R N 0.726 121.267 120.500 0.069 0.000 2.159 329 R HA 0.016 4.356 4.340 0.000 0.000 0.237 329 R C 2.446 178.750 176.300 0.006 0.000 1.131 329 R CA 0.795 56.906 56.100 0.018 0.000 0.982 329 R CB -0.084 30.232 30.300 0.026 0.000 0.868 329 R HN 0.242 nan 8.270 nan 0.000 0.453 330 R N 0.152 120.666 120.500 0.024 0.000 2.235 330 R HA 0.015 4.355 4.340 0.000 0.000 0.213 330 R C 1.851 178.165 176.300 0.023 0.000 1.059 330 R CA 0.697 56.808 56.100 0.017 0.000 0.997 330 R CB 0.030 30.342 30.300 0.019 0.000 0.884 330 R HN 0.170 nan 8.270 nan 0.000 0.462 331 R N 0.452 120.979 120.500 0.045 0.000 2.146 331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 331 R C 2.031 178.314 176.300 -0.028 0.000 1.049 331 R CA 0.773 56.907 56.100 0.056 0.000 1.029 331 R CB 0.029 30.442 30.300 0.188 0.000 0.949 331 R HN 0.314 nan 8.270 nan 0.000 0.471 332 I N -3.942 116.571 120.570 -0.095 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.485 176.507 176.117 -0.158 0.000 1.473 332 I CA 0.099 61.288 61.300 -0.185 0.000 1.124 332 I CB 0.889 38.645 38.000 -0.406 0.000 1.129 332 I HN -0.036 nan 8.210 nan 0.000 0.428 333 A N 0.256 123.017 122.820 -0.098 0.000 2.861 333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 333 A C 0.645 178.178 177.584 -0.084 0.000 1.351 333 A CA 1.687 53.678 52.037 -0.076 0.000 0.904 333 A CB -2.305 16.653 19.000 -0.070 0.000 1.076 333 A HN 0.815 nan 8.150 nan 0.000 0.729 334 T N -1.869 112.617 114.554 -0.114 0.000 2.654 334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 334 T C -2.143 172.478 174.700 -0.133 0.000 1.656 334 T CA 0.134 62.170 62.100 -0.106 0.000 0.971 334 T CB 0.929 69.726 68.868 -0.119 0.000 1.811 334 T HN 0.283 nan 8.240 nan 0.000 0.483 335 D N 0.609 120.951 120.400 -0.097 0.000 2.181 335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 335 D C -0.253 175.964 176.300 -0.139 0.000 1.020 335 D CA -0.113 53.852 54.000 -0.058 0.000 0.891 335 D CB 0.815 41.629 40.800 0.023 0.000 1.187 335 D HN 0.330 nan 8.370 nan 0.000 0.443 336 F N 0.637 120.519 119.950 -0.113 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 336 F CA -1.255 56.600 58.000 -0.241 0.000 1.192 336 F CB 0.033 38.785 39.000 -0.412 0.000 1.256 336 F HN 0.079 nan 8.300 nan 0.000 0.558 337 P HA -0.004 nan 4.420 nan 0.000 0.270 337 P C -1.197 176.128 177.300 0.042 0.000 1.227 337 P CA -0.269 62.887 63.100 0.094 0.000 0.788 337 P CB 0.326 32.176 31.700 0.250 0.000 0.926 338 K N 1.100 121.534 120.400 0.058 0.000 2.530 338 K HA 0.142 4.462 4.320 0.000 0.000 0.280 338 K C 1.284 177.941 176.600 0.095 0.000 1.004 338 K CA 1.237 57.559 56.287 0.059 0.000 1.071 338 K CB -0.733 31.823 32.500 0.093 0.000 0.876 338 K HN 0.857 nan 8.250 nan 0.000 0.487 339 G N 1.176 109.981 108.800 0.009 0.000 2.179 339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 339 G C 0.019 174.864 174.900 -0.092 0.000 0.977 339 G CA 0.042 45.211 45.100 0.115 0.000 0.641 339 G HN 0.428 nan 8.290 nan 0.000 0.533 340 V N 1.040 120.732 119.914 -0.370 0.000 2.370 340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 340 V C -0.301 175.421 176.094 -0.620 0.000 1.029 340 V CA -0.768 61.318 62.300 -0.356 0.000 0.870 340 V CB 0.820 32.413 31.823 -0.384 0.000 0.984 340 V HN 0.253 nan 8.190 nan 0.000 0.451 341 Y N 4.264 124.608 120.300 0.073 0.000 2.364 341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 341 Y C -0.485 175.600 175.900 0.309 0.000 0.975 341 Y CA -0.773 57.473 58.100 0.244 0.000 1.089 341 Y CB 1.743 40.289 38.460 0.143 0.000 1.192 341 Y HN 0.638 nan 8.280 nan 0.000 0.454 342 Y N 2.441 123.031 120.300 0.483 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.126 175.058 175.900 0.474 0.000 1.021 342 Y CA -1.798 56.487 58.100 0.309 0.000 1.079 342 Y CB 1.698 40.257 38.460 0.164 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.550 125.565 119.300 -0.475 0.000 2.505 343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 343 C C -1.389 173.189 174.990 -0.687 0.000 1.121 343 C CA -0.700 58.097 59.018 -0.368 0.000 1.306 343 C CB -0.021 27.892 27.740 0.288 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.976 124.060 120.400 -0.526 0.000 2.274 344 D HA 0.323 4.963 4.640 0.000 0.000 0.239 344 D C 0.036 176.293 176.300 -0.071 0.000 1.104 344 D CA 0.236 54.104 54.000 -0.221 0.000 0.840 344 D CB 0.791 41.600 40.800 0.016 0.000 1.100 344 D HN 0.709 nan 8.370 nan 0.000 0.477 345 N N 3.442 122.142 118.700 -0.000 0.000 2.451 345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 345 N C 1.086 176.618 175.510 0.037 0.000 1.410 345 N CA -0.160 52.901 53.050 0.019 0.000 0.884 345 N CB 0.710 39.216 38.487 0.031 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.482 121.014 120.500 0.053 0.000 2.081 346 R HA -0.044 4.296 4.340 0.000 0.000 0.235 346 R C 0.774 177.086 176.300 0.021 0.000 1.131 346 R CA 1.149 57.278 56.100 0.048 0.000 0.960 346 R CB 0.098 30.463 30.300 0.108 0.000 0.856 346 R HN 0.117 nan 8.270 nan 0.000 0.436 347 D N 0.385 120.801 120.400 0.027 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.183 176.489 176.300 0.010 0.000 0.965 347 D CA 1.251 55.261 54.000 0.017 0.000 0.852 347 D CB 0.241 41.051 40.800 0.018 0.000 0.947 347 D HN 0.116 nan 8.370 nan 0.000 0.494 348 K N 0.825 121.232 120.400 0.012 0.000 2.752 348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 348 K C -2.754 173.859 176.600 0.022 0.000 1.069 348 K CA -1.427 54.869 56.287 0.015 0.000 1.033 348 K CB 2.477 34.983 32.500 0.011 0.000 1.229 348 K HN -0.127 nan 8.250 nan 0.000 0.572 349 P HA -0.028 nan 4.420 nan 0.000 0.266 349 P C -0.095 177.256 177.300 0.085 0.000 1.195 349 P CA -0.194 62.940 63.100 0.058 0.000 0.768 349 P CB 0.461 32.190 31.700 0.049 0.000 0.838 350 I N 3.745 124.355 120.570 0.066 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.047 176.195 176.117 0.209 0.000 1.134 350 I CA 0.414 61.701 61.300 -0.022 0.000 1.410 350 I CB -1.161 36.579 38.000 -0.433 0.000 1.392 350 I HN 0.419 nan 8.210 nan 0.000 0.545 351 Y N 6.239 126.542 120.300 0.006 0.000 2.317 351 Y HA 0.158 4.708 4.550 0.000 0.000 0.329 351 Y C 1.097 177.002 175.900 0.009 0.000 1.101 351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 351 Y CB 1.343 39.833 38.460 0.050 0.000 1.123 351 Y HN 0.725 nan 8.280 nan 0.000 0.457 352 T N 1.361 115.785 114.554 -0.216 0.000 2.770 352 T HA 0.062 4.412 4.350 0.000 0.000 0.263 352 T C 1.945 176.457 174.700 -0.313 0.000 1.039 352 T CA 2.371 64.337 62.100 -0.225 0.000 1.142 352 T CB -0.627 68.137 68.868 -0.173 0.000 0.868 352 T HN 1.591 nan 8.240 nan 0.000 0.435 353 L N -2.135 118.801 121.223 -0.479 0.000 3.211 353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 353 L C 0.847 177.608 176.870 -0.181 0.000 0.707 353 L CA 2.510 57.124 54.840 -0.377 0.000 2.938 353 L CB -2.631 39.264 42.059 -0.273 0.000 0.825 353 L HN 1.426 nan 8.230 nan 0.000 0.704 354 Q N -1.851 117.866 119.800 -0.138 0.000 2.310 354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 354 Q C -0.495 175.485 176.000 -0.033 0.000 1.025 354 Q CA -0.277 55.493 55.803 -0.055 0.000 0.772 354 Q CB 0.850 29.565 28.738 -0.039 0.000 1.253 354 Q HN 1.701 nan 8.270 nan 0.000 0.450 355 Y N 1.554 121.800 120.300 -0.090 0.000 2.852 355 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 355 Y C 1.608 177.472 175.900 -0.060 0.000 1.280 355 Y CA 2.275 60.326 58.100 -0.081 0.000 1.604 355 Y CB 0.142 38.550 38.460 -0.087 0.000 1.216 355 Y HN 1.374 nan 8.280 nan 0.000 0.541 356 G N 2.068 110.681 108.800 -0.311 0.000 2.157 356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 356 G C 0.799 175.664 174.900 -0.058 0.000 0.979 356 G CA 0.690 45.708 45.100 -0.136 0.000 0.650 356 G HN 1.080 nan 8.290 nan 0.000 0.529 357 N N -1.054 117.606 118.700 -0.067 0.000 2.364 357 N HA 0.321 5.061 4.740 0.000 0.000 0.183 357 N C 0.986 176.476 175.510 -0.033 0.000 1.022 357 N CA 2.024 55.047 53.050 -0.045 0.000 0.883 357 N CB 0.153 38.604 38.487 -0.060 0.000 0.965 357 N HN 1.058 nan 8.380 nan 0.000 0.438 358 V N -1.050 118.847 119.914 -0.027 0.000 2.789 358 V HA 0.821 4.941 4.120 0.000 0.000 0.311 358 V C 0.371 176.568 176.094 0.172 0.000 1.073 358 V CA -0.657 61.661 62.300 0.030 0.000 0.921 358 V CB 1.506 33.294 31.823 -0.057 0.000 1.009 358 V HN 0.526 nan 8.190 nan 0.000 0.426 359 G N 1.606 110.519 108.800 0.188 0.000 2.619 359 G HA2 0.673 4.633 3.960 0.000 0.000 0.296 359 G HA3 0.673 4.633 3.960 0.000 0.000 0.296 359 G C -1.939 173.106 174.900 0.242 0.000 1.334 359 G CA -0.638 44.562 45.100 0.166 0.000 0.934 359 G HN 0.488 nan 8.290 nan 0.000 0.476 360 F N 1.838 121.784 119.950 -0.007 0.000 2.410 360 F HA 0.637 5.164 4.527 0.000 0.000 0.349 360 F C -0.221 175.553 175.800 -0.044 0.000 1.117 360 F CA -0.511 57.512 58.000 0.040 0.000 1.104 360 F CB 1.650 40.613 39.000 -0.062 0.000 1.122 360 F HN 0.271 nan 8.300 nan 0.000 0.483 361 V N 6.546 126.151 119.914 -0.516 0.000 2.513 361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 361 V C -0.811 175.031 176.094 -0.420 0.000 1.035 361 V CA -0.871 61.240 62.300 -0.314 0.000 0.889 361 V CB 1.611 33.337 31.823 -0.160 0.000 0.988 361 V HN 0.561 nan 8.190 nan 0.000 0.440 362 V N 3.937 123.714 119.914 -0.229 0.000 2.482 362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 362 V C -0.380 175.498 176.094 -0.359 0.000 1.026 362 V CA -0.632 61.467 62.300 -0.335 0.000 0.856 362 V CB 1.937 33.591 31.823 -0.282 0.000 1.001 362 V HN 0.896 nan 8.190 nan 0.000 0.424 363 N N 7.084 125.426 118.700 -0.597 0.000 2.546 363 N HA 0.370 5.110 4.740 0.000 0.000 0.238 363 N C -2.728 172.488 175.510 -0.490 0.000 0.984 363 N CA -1.616 51.067 53.050 -0.611 0.000 0.935 363 N CB 2.499 40.306 38.487 -1.134 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.144 nan 4.420 nan 0.000 0.279 364 P C 0.199 177.426 177.300 -0.121 0.000 1.239 364 P CA -0.196 62.766 63.100 -0.230 0.000 0.789 364 P CB 2.086 33.643 31.700 -0.238 0.000 0.933 365 K N 1.627 122.000 120.400 -0.043 0.000 2.128 365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 365 K C 0.515 177.114 176.600 -0.002 0.000 1.050 365 K CA 1.035 57.307 56.287 -0.025 0.000 0.966 365 K CB 0.159 32.656 32.500 -0.006 0.000 0.759 365 K HN 0.646 nan 8.250 nan 0.000 0.454 366 T N -1.425 113.149 114.554 0.032 0.000 2.886 366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 366 T C -0.861 173.870 174.700 0.051 0.000 1.012 366 T CA -0.927 61.182 62.100 0.016 0.000 0.982 366 T CB 2.021 70.881 68.868 -0.013 0.000 1.018 366 T HN -0.181 nan 8.240 nan 0.000 0.451 367 V N 4.153 124.078 119.914 0.019 0.000 2.443 367 V HA 0.467 4.587 4.120 0.000 0.000 0.293 367 V C -0.321 175.753 176.094 -0.033 0.000 1.021 367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 367 V CB 1.313 33.144 31.823 0.013 0.000 0.998 367 V HN 0.900 nan 8.190 nan 0.000 0.424 368 N N 2.559 121.211 118.700 -0.080 0.000 2.413 368 N HA 0.305 5.045 4.740 0.000 0.000 0.266 368 N C -0.021 175.445 175.510 -0.073 0.000 1.238 368 N CA -0.654 52.341 53.050 -0.092 0.000 0.972 368 N CB 0.519 38.920 38.487 -0.143 0.000 1.210 368 N HN 0.541 nan 8.380 nan 0.000 0.547 369 Q N 1.223 120.984 119.800 -0.064 0.000 2.337 369 Q HA 0.066 4.406 4.340 0.000 0.000 0.270 369 Q C -0.095 175.873 176.000 -0.054 0.000 1.002 369 Q CA 0.368 56.142 55.803 -0.048 0.000 0.888 369 Q CB 0.095 28.811 28.738 -0.037 0.000 1.222 369 Q HN 0.471 nan 8.270 nan 0.000 0.400 370 N N -1.129 117.548 118.700 -0.038 0.000 2.776 370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 370 N C -0.729 174.754 175.510 -0.044 0.000 1.111 370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 370 N CB -1.290 37.181 38.487 -0.027 0.000 1.065 370 N HN 0.676 nan 8.380 nan 0.000 0.556 371 A N 0.776 123.569 122.820 -0.046 0.000 2.351 371 A HA 0.702 5.022 4.320 0.000 0.000 0.257 371 A C 0.869 178.449 177.584 -0.007 0.000 1.087 371 A CA 0.176 52.200 52.037 -0.021 0.000 0.798 371 A CB 0.676 19.702 19.000 0.044 0.000 1.033 371 A HN 0.478 nan 8.150 nan 0.000 0.488 372 R N 0.552 121.082 120.500 0.051 0.000 2.709 372 R HA 0.576 4.916 4.340 0.000 0.000 0.270 372 R C -2.142 174.220 176.300 0.104 0.000 1.038 372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 372 R CB 0.786 31.121 30.300 0.058 0.000 1.259 372 R HN 0.452 nan 8.270 nan 0.000 0.473 373 L N 2.524 123.796 121.223 0.081 0.000 2.296 373 L HA 0.485 4.825 4.340 0.000 0.000 0.286 373 L C -0.678 176.294 176.870 0.170 0.000 1.023 373 L CA -1.045 53.877 54.840 0.135 0.000 0.812 373 L CB 1.645 43.786 42.059 0.138 0.000 1.223 373 L HN 0.448 nan 8.230 nan 0.000 0.421 374 L N 4.772 126.122 121.223 0.212 0.000 2.262 374 L HA 0.421 4.761 4.340 0.000 0.000 0.288 374 L C -0.099 176.875 176.870 0.173 0.000 1.035 374 L CA -0.285 54.713 54.840 0.263 0.000 0.820 374 L CB 1.126 43.462 42.059 0.461 0.000 1.204 374 L HN 0.488 nan 8.230 nan 0.000 0.424 375 M N 2.407 122.009 119.600 0.003 0.000 2.367 375 M HA 0.548 5.028 4.480 0.000 0.000 0.339 375 M C 0.379 176.388 176.300 -0.484 0.000 1.177 375 M CA -0.380 54.739 55.300 -0.301 0.000 1.068 375 M CB 1.447 33.824 32.600 -0.372 0.000 1.602 375 M HN 0.564 nan 8.290 nan 0.000 0.457 376 G N 2.452 110.775 108.800 -0.794 0.000 2.687 376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 376 G C -2.034 172.396 174.900 -0.782 0.000 1.416 376 G CA -0.285 44.135 45.100 -1.134 0.000 1.005 376 G HN 0.581 nan 8.290 nan 0.000 0.509 377 Y N 0.196 120.498 120.300 0.003 0.000 2.499 377 Y HA 0.568 5.118 4.550 0.000 0.000 0.347 377 Y C 0.285 176.418 175.900 0.389 0.000 0.987 377 Y CA -0.909 57.399 58.100 0.347 0.000 1.044 377 Y CB 2.738 41.525 38.460 0.545 0.000 1.245 377 Y HN 0.420 nan 8.280 nan 0.000 0.461 378 E N 2.373 122.882 120.200 0.514 0.000 2.176 378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 378 E C -1.724 175.020 176.600 0.239 0.000 0.893 378 E CA -0.757 55.786 56.400 0.238 0.000 0.761 378 E CB 1.687 31.560 29.700 0.289 0.000 1.133 378 E HN 0.560 nan 8.360 nan 0.000 0.409 379 Y N 0.854 121.139 120.300 -0.025 0.000 2.670 379 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 379 Y C -1.700 174.135 175.900 -0.108 0.000 1.185 379 Y CA -1.446 56.546 58.100 -0.180 0.000 1.053 379 Y CB 1.018 39.221 38.460 -0.430 0.000 1.298 379 Y HN 0.306 nan 8.280 nan 0.000 0.459 380 F N 0.647 120.694 119.950 0.163 0.000 2.522 380 F HA 0.715 5.242 4.527 0.000 0.000 0.324 380 F C 0.118 175.970 175.800 0.086 0.000 1.077 380 F CA -0.945 57.100 58.000 0.074 0.000 0.944 380 F CB 2.563 41.558 39.000 -0.008 0.000 1.175 380 F HN 0.722 nan 8.300 nan 0.000 0.468 381 T N 1.122 115.821 114.554 0.241 0.000 2.957 381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 381 T C -1.061 173.688 174.700 0.083 0.000 1.462 381 T CA -0.779 61.411 62.100 0.150 0.000 1.073 381 T CB 1.211 70.126 68.868 0.077 0.000 1.319 381 T HN 0.695 nan 8.240 nan 0.000 0.485 382 S N 3.255 119.003 115.700 0.080 0.000 2.576 382 S HA 0.355 4.825 4.470 0.000 0.000 0.276 382 S C 1.258 175.884 174.600 0.044 0.000 1.339 382 S CA -0.568 57.657 58.200 0.041 0.000 1.039 382 S CB 0.943 64.169 63.200 0.043 0.000 0.902 382 S HN 0.805 nan 8.310 nan 0.000 0.516 383 R N 1.627 122.140 120.500 0.021 0.000 2.193 383 R HA 0.044 4.384 4.340 0.000 0.000 0.229 383 R C 1.640 177.963 176.300 0.039 0.000 1.110 383 R CA 1.039 57.152 56.100 0.021 0.000 0.988 383 R CB -1.761 28.552 30.300 0.021 0.000 0.871 383 R HN 1.083 nan 8.270 nan 0.000 0.458 384 T N -0.553 114.026 114.554 0.043 0.000 0.543 384 T HA -0.185 4.165 4.350 0.000 0.000 0.774 384 T C 0.284 175.008 174.700 0.039 0.000 0.992 384 T CA 1.751 63.878 62.100 0.046 0.000 4.076 384 T CB -0.834 68.070 68.868 0.060 0.000 2.302 384 T HN 0.573 nan 8.240 nan 0.000 0.398 385 E N 0.000 120.223 120.200 0.038 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440