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 1ivx_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.589 177.584 0.009 0.000 1.274 9 A CA 0.000 52.043 52.037 0.010 0.000 0.836 9 A CB 0.000 19.012 19.000 0.020 0.000 0.831 10 S N 1.207 116.924 115.700 0.028 0.000 2.565 10 S HA 0.484 4.930 4.470 -0.040 0.000 0.276 10 S C -1.960 172.636 174.600 -0.006 0.000 1.326 10 S CA -0.760 57.474 58.200 0.056 0.000 1.045 10 S CB 0.858 64.134 63.200 0.127 0.000 0.918 10 S HN 0.247 nan 8.310 nan 0.000 0.505 11 P HA 0.133 nan 4.420 nan 0.000 0.242 11 P C -0.170 176.744 177.300 -0.644 0.000 1.197 11 P CA 0.652 63.544 63.100 -0.346 0.000 0.765 11 P CB -0.014 31.419 31.700 -0.444 0.000 0.936 12 F N -0.640 119.246 119.950 -0.107 0.000 2.682 12 F HA 0.196 4.699 4.527 -0.041 0.000 0.308 12 F C 1.394 177.148 175.800 -0.077 0.000 1.093 12 F CA -0.655 57.243 58.000 -0.171 0.000 1.244 12 F CB -0.112 38.781 39.000 -0.178 0.000 1.052 12 F HN -0.187 nan 8.300 nan 0.000 0.573 13 R N 0.879 121.413 120.500 0.058 0.000 2.784 13 R HA 0.233 4.549 4.340 -0.040 0.000 0.266 13 R C -0.141 176.187 176.300 0.047 0.000 1.044 13 R CA -0.407 55.736 56.100 0.070 0.000 1.151 13 R CB 0.375 30.705 30.300 0.050 0.000 1.037 13 R HN 0.134 nan 8.270 nan 0.000 0.478 14 L N 1.471 122.736 121.223 0.070 0.000 2.461 14 L HA 0.155 4.471 4.340 -0.040 0.000 0.272 14 L C 0.744 177.658 176.870 0.073 0.000 1.197 14 L CA -0.305 54.579 54.840 0.073 0.000 0.836 14 L CB 0.645 42.746 42.059 0.070 0.000 1.105 14 L HN 0.864 nan 8.230 nan 0.000 0.477 15 A N 2.877 125.756 122.820 0.098 0.000 2.540 15 A HA 0.200 4.496 4.320 -0.040 0.000 0.239 15 A C 0.316 177.978 177.584 0.129 0.000 1.061 15 A CA 0.114 52.262 52.037 0.186 0.000 0.758 15 A CB 0.363 19.543 19.000 0.300 0.000 0.991 15 A HN 0.660 nan 8.150 nan 0.000 0.502 16 S N 0.840 116.611 115.700 0.118 0.000 2.646 16 S HA 0.503 4.949 4.470 -0.040 0.000 0.276 16 S C 1.476 176.088 174.600 0.021 0.000 1.222 16 S CA -0.047 58.185 58.200 0.053 0.000 1.014 16 S CB 1.104 64.328 63.200 0.040 0.000 0.991 16 S HN 1.335 nan 8.310 nan 0.000 0.533 17 A N 3.141 125.963 122.820 0.003 0.000 1.908 17 A HA 0.045 4.341 4.320 -0.040 0.000 0.218 17 A C 2.095 179.658 177.584 -0.036 0.000 1.181 17 A CA 2.041 54.069 52.037 -0.015 0.000 0.627 17 A CB -1.537 17.457 19.000 -0.011 0.000 0.818 17 A HN 0.989 nan 8.150 nan 0.000 0.445 18 G N -0.461 108.321 108.800 -0.030 0.000 2.422 18 G HA2 -0.200 3.736 3.960 -0.040 0.000 0.218 18 G HA3 -0.200 3.736 3.960 -0.040 0.000 0.218 18 G C 1.395 176.243 174.900 -0.086 0.000 1.146 18 G CA 0.966 46.039 45.100 -0.045 0.000 0.769 18 G HN 0.684 nan 8.290 nan 0.000 0.547 19 E N -0.010 120.132 120.200 -0.096 0.000 2.152 19 E HA -0.035 4.291 4.350 -0.040 0.000 0.192 19 E C 2.442 178.790 176.600 -0.420 0.000 0.983 19 E CA 0.303 56.572 56.400 -0.219 0.000 0.818 19 E CB -0.000 29.641 29.700 -0.098 0.000 0.758 19 E HN 0.350 nan 8.360 nan 0.000 0.467 20 I N 0.994 121.398 120.570 -0.277 0.000 2.233 20 I HA -0.175 3.971 4.170 -0.040 0.000 0.243 20 I C 2.300 178.299 176.117 -0.196 0.000 1.093 20 I CA 1.002 62.143 61.300 -0.266 0.000 1.380 20 I CB -1.191 36.737 38.000 -0.122 0.000 1.067 20 I HN -0.019 nan 8.210 nan 0.000 0.413 21 S N 0.687 116.310 115.700 -0.129 0.000 2.359 21 S HA -0.256 4.189 4.470 -0.040 0.000 0.224 21 S C 1.945 176.482 174.600 -0.106 0.000 1.035 21 S CA 1.816 59.963 58.200 -0.088 0.000 1.018 21 S CB -0.290 62.874 63.200 -0.061 0.000 0.876 21 S HN 0.424 nan 8.310 nan 0.000 0.448 22 E N 0.966 121.085 120.200 -0.135 0.000 2.118 22 E HA -0.117 4.209 4.350 -0.040 0.000 0.195 22 E C 1.811 178.318 176.600 -0.156 0.000 0.992 22 E CA 1.075 57.396 56.400 -0.131 0.000 0.804 22 E CB -0.239 29.380 29.700 -0.136 0.000 0.741 22 E HN 0.293 nan 8.360 nan 0.000 0.458 23 V N 0.711 120.478 119.914 -0.245 0.000 2.427 23 V HA -0.240 3.856 4.120 -0.040 0.000 0.248 23 V C 2.520 178.543 176.094 -0.119 0.000 1.051 23 V CA 2.069 64.233 62.300 -0.226 0.000 1.048 23 V CB -0.615 30.990 31.823 -0.363 0.000 0.666 23 V HN 0.403 nan 8.190 nan 0.000 0.456 24 Q N 0.461 120.199 119.800 -0.104 0.000 2.020 24 Q HA -0.163 4.153 4.340 -0.040 0.000 0.202 24 Q C 2.291 178.272 176.000 -0.032 0.000 0.982 24 Q CA 2.230 58.005 55.803 -0.047 0.000 0.838 24 Q CB -0.587 28.131 28.738 -0.033 0.000 0.899 24 Q HN 0.587 nan 8.270 nan 0.000 0.423 25 G N 1.370 110.145 108.800 -0.042 0.000 2.491 25 G HA2 -0.282 3.654 3.960 -0.040 0.000 0.218 25 G HA3 -0.282 3.654 3.960 -0.040 0.000 0.218 25 G C 1.440 176.325 174.900 -0.025 0.000 1.180 25 G CA 1.224 46.306 45.100 -0.030 0.000 0.774 25 G HN 0.422 nan 8.290 nan 0.000 0.562 26 I N 0.357 120.906 120.570 -0.035 0.000 2.264 26 I HA -0.173 3.972 4.170 -0.040 0.000 0.248 26 I C 2.744 178.854 176.117 -0.011 0.000 1.111 26 I CA 0.712 61.998 61.300 -0.024 0.000 1.382 26 I CB -0.208 37.773 38.000 -0.032 0.000 1.060 26 I HN 0.151 nan 8.210 nan 0.000 0.418 27 L N -0.085 121.131 121.223 -0.011 0.000 2.027 27 L HA -0.168 4.147 4.340 -0.040 0.000 0.206 27 L C 2.805 179.681 176.870 0.009 0.000 1.074 27 L CA 1.277 56.120 54.840 0.005 0.000 0.745 27 L CB -0.516 41.549 42.059 0.010 0.000 0.898 27 L HN 0.132 nan 8.230 nan 0.000 0.433 28 R N -0.503 120.001 120.500 0.006 0.000 2.082 28 R HA -0.167 4.148 4.340 -0.040 0.000 0.234 28 R C 2.259 178.561 176.300 0.003 0.000 1.136 28 R CA 2.170 58.275 56.100 0.008 0.000 0.935 28 R CB -0.713 29.589 30.300 0.004 0.000 0.842 28 R HN 0.293 nan 8.270 nan 0.000 0.430 29 T N 0.500 115.053 114.554 -0.001 0.000 2.803 29 T HA -0.150 4.176 4.350 -0.040 0.000 0.269 29 T C 1.582 176.282 174.700 0.001 0.000 1.052 29 T CA 1.423 63.522 62.100 -0.002 0.000 1.136 29 T CB -0.135 68.730 68.868 -0.005 0.000 0.864 29 T HN 0.388 nan 8.240 nan 0.000 0.467 30 A N 0.194 123.016 122.820 0.004 0.000 2.238 30 A HA 0.520 4.816 4.320 -0.040 0.000 0.208 30 A C 1.891 179.480 177.584 0.008 0.000 1.177 30 A CA 0.731 52.772 52.037 0.007 0.000 0.804 30 A CB -0.724 18.282 19.000 0.010 0.000 0.823 30 A HN 0.695 nan 8.150 nan 0.000 0.482 31 G N -1.060 107.745 108.800 0.007 0.000 2.143 31 G HA2 -0.265 3.671 3.960 -0.040 0.000 0.248 31 G HA3 -0.265 3.671 3.960 -0.040 0.000 0.248 31 G C 0.660 175.567 174.900 0.011 0.000 0.991 31 G CA 0.569 45.673 45.100 0.007 0.000 0.689 31 G HN 0.485 nan 8.290 nan 0.000 0.522 32 L N -1.272 119.960 121.223 0.016 0.000 2.446 32 L HA 0.344 4.659 4.340 -0.040 0.000 0.219 32 L C 1.522 178.409 176.870 0.028 0.000 1.116 32 L CA 0.220 55.074 54.840 0.022 0.000 0.844 32 L CB 0.199 42.276 42.059 0.029 0.000 0.970 32 L HN 0.210 nan 8.230 nan 0.000 0.457 33 L N 0.894 122.134 121.223 0.029 0.000 2.956 33 L HA 0.402 4.718 4.340 -0.040 0.000 0.232 33 L C 0.906 177.803 176.870 0.045 0.000 1.291 33 L CA -0.210 54.656 54.840 0.044 0.000 1.122 33 L CB -0.107 41.980 42.059 0.048 0.000 1.461 33 L HN -0.068 nan 8.230 nan 0.000 0.470 34 G N 0.447 109.267 108.800 0.034 0.000 2.684 34 G HA2 0.235 4.170 3.960 -0.040 0.000 0.255 34 G HA3 0.235 4.170 3.960 -0.040 0.000 0.255 34 G C -1.563 173.363 174.900 0.043 0.000 1.219 34 G CA -0.711 44.405 45.100 0.026 0.000 0.901 34 G HN 0.359 nan 8.290 nan 0.000 0.548 35 P HA -0.067 nan 4.420 nan 0.000 0.217 35 P C 1.217 178.554 177.300 0.062 0.000 1.148 35 P CA 1.036 64.156 63.100 0.033 0.000 0.828 35 P CB 0.301 32.005 31.700 0.007 0.000 0.783 36 E N -1.098 119.122 120.200 0.035 0.000 2.463 36 E HA 0.081 4.407 4.350 -0.040 0.000 0.193 36 E C 0.148 176.748 176.600 0.001 0.000 1.041 36 E CA 0.356 56.767 56.400 0.018 0.000 0.879 36 E CB 0.035 29.720 29.700 -0.025 0.000 0.997 36 E HN 0.282 nan 8.360 nan 0.000 0.478 37 K N 1.742 122.167 120.400 0.041 0.000 2.156 37 K HA 0.360 4.656 4.320 -0.040 0.000 0.271 37 K C 0.354 177.003 176.600 0.082 0.000 0.995 37 K CA -0.479 55.827 56.287 0.032 0.000 0.890 37 K CB 1.632 34.156 32.500 0.040 0.000 1.073 37 K HN -0.141 nan 8.250 nan 0.000 0.454 38 R N 2.181 122.715 120.500 0.057 0.000 2.686 38 R HA 0.456 4.771 4.340 -0.040 0.000 0.286 38 R C 0.070 176.389 176.300 0.031 0.000 0.969 38 R CA -0.831 55.267 56.100 -0.004 0.000 0.898 38 R CB 1.303 31.610 30.300 0.012 0.000 1.183 38 R HN 0.574 nan 8.270 nan 0.000 0.456 39 I N 2.559 123.107 120.570 -0.037 0.000 2.278 39 I HA 0.055 4.201 4.170 -0.040 0.000 0.296 39 I C 1.355 177.489 176.117 0.029 0.000 1.121 39 I CA 0.091 61.399 61.300 0.014 0.000 1.267 39 I CB 1.224 39.208 38.000 -0.027 0.000 1.447 39 I HN 0.739 nan 8.210 nan 0.000 0.509 40 A N 6.705 129.603 122.820 0.130 0.000 2.066 40 A HA -0.079 4.216 4.320 -0.040 0.000 0.218 40 A C 0.417 178.144 177.584 0.238 0.000 1.157 40 A CA 1.099 53.229 52.037 0.155 0.000 0.670 40 A CB 0.039 19.154 19.000 0.192 0.000 0.804 40 A HN 0.675 nan 8.150 nan 0.000 0.453 41 Y N -2.244 118.102 120.300 0.077 0.000 2.465 41 Y HA 0.526 5.051 4.550 -0.041 0.000 0.323 41 Y C -1.826 174.002 175.900 -0.119 0.000 1.191 41 Y CA -1.136 56.932 58.100 -0.054 0.000 1.082 41 Y CB 1.004 39.365 38.460 -0.165 0.000 1.334 41 Y HN 0.152 nan 8.280 nan 0.000 0.449 42 L N 5.679 126.294 121.223 -1.014 0.000 2.470 42 L HA 0.998 5.314 4.340 -0.040 0.000 0.268 42 L C -1.229 175.145 176.870 -0.826 0.000 0.964 42 L CA -0.234 54.172 54.840 -0.723 0.000 0.839 42 L CB 1.994 43.895 42.059 -0.264 0.000 1.276 42 L HN 0.944 nan 8.230 nan 0.000 0.403 43 G N 3.073 111.532 108.800 -0.568 0.000 2.742 43 G HA2 0.445 4.381 3.960 -0.040 0.000 0.296 43 G HA3 0.445 4.381 3.960 -0.040 0.000 0.296 43 G C -1.845 172.926 174.900 -0.215 0.000 1.436 43 G CA -0.575 44.357 45.100 -0.280 0.000 0.928 43 G HN 0.489 nan 8.290 nan 0.000 0.520 44 V N 2.200 121.847 119.914 -0.444 0.000 2.637 44 V HA 0.414 4.510 4.120 -0.040 0.000 0.296 44 V C 0.051 175.884 176.094 -0.435 0.000 1.046 44 V CA -0.432 61.315 62.300 -0.922 0.000 1.066 44 V CB 0.793 31.942 31.823 -1.124 0.000 0.968 44 V HN 0.574 nan 8.190 nan 0.000 0.483 45 L N 6.247 127.239 121.223 -0.385 0.000 2.395 45 L HA 0.429 4.745 4.340 -0.040 0.000 0.269 45 L C 0.406 177.132 176.870 -0.240 0.000 1.133 45 L CA 0.350 55.066 54.840 -0.207 0.000 0.812 45 L CB 0.730 42.706 42.059 -0.140 0.000 1.125 45 L HN 0.649 nan 8.230 nan 0.000 0.452 46 D N 3.262 123.561 120.400 -0.168 0.000 2.253 46 D HA 0.299 4.915 4.640 -0.040 0.000 0.249 46 D C -2.039 174.139 176.300 -0.205 0.000 1.049 46 D CA -0.948 52.911 54.000 -0.235 0.000 0.929 46 D CB 1.032 41.763 40.800 -0.116 0.000 1.176 46 D HN 0.352 nan 8.370 nan 0.000 0.437 47 P HA 0.046 nan 4.420 nan 0.000 0.264 47 P C -0.650 176.606 177.300 -0.074 0.000 1.179 47 P CA -0.166 62.812 63.100 -0.203 0.000 0.763 47 P CB 0.472 32.001 31.700 -0.286 0.000 0.806 48 A N 3.584 126.374 122.820 -0.049 0.000 2.280 48 A HA 0.300 4.596 4.320 -0.040 0.000 0.268 48 A C 0.547 178.119 177.584 -0.021 0.000 1.111 48 A CA -0.356 51.674 52.037 -0.012 0.000 0.814 48 A CB 0.044 19.038 19.000 -0.011 0.000 1.093 48 A HN 0.440 nan 8.150 nan 0.000 0.498 49 R N -0.524 119.954 120.500 -0.037 0.000 2.585 49 R HA 0.402 4.718 4.340 -0.040 0.000 0.275 49 R C 1.314 177.582 176.300 -0.053 0.000 1.018 49 R CA 1.699 57.737 56.100 -0.103 0.000 1.072 49 R CB -0.350 29.863 30.300 -0.144 0.000 0.953 49 R HN 1.639 nan 8.270 nan 0.000 0.419 50 G N 1.911 110.689 108.800 -0.037 0.000 4.492 50 G HA2 -0.150 3.785 3.960 -0.040 0.000 0.265 50 G HA3 -0.150 3.785 3.960 -0.040 0.000 0.265 50 G C 0.310 175.220 174.900 0.017 0.000 1.702 50 G CA 0.291 45.389 45.100 -0.004 0.000 1.266 50 G HN 1.525 nan 8.290 nan 0.000 0.643 51 A N -0.086 122.738 122.820 0.006 0.000 2.872 51 A HA 0.190 4.486 4.320 -0.040 0.000 0.273 51 A C 2.858 180.450 177.584 0.013 0.000 1.442 51 A CA 1.799 53.841 52.037 0.008 0.000 0.801 51 A CB -1.803 17.210 19.000 0.023 0.000 1.031 51 A HN 2.670 nan 8.150 nan 0.000 0.582 52 G N 0.709 109.515 108.800 0.010 0.000 2.875 52 G HA2 -0.185 3.751 3.960 -0.040 0.000 0.220 52 G HA3 -0.185 3.751 3.960 -0.040 0.000 0.220 52 G C 1.125 176.029 174.900 0.006 0.000 1.293 52 G CA 1.462 46.568 45.100 0.009 0.000 0.789 52 G HN 2.090 nan 8.290 nan 0.000 0.677 53 S N 1.190 116.890 115.700 0.001 0.000 3.716 53 S HA 0.208 4.653 4.470 -0.040 0.000 0.254 53 S C 0.339 174.938 174.600 -0.003 0.000 1.209 53 S CA 0.133 58.333 58.200 -0.001 0.000 1.026 53 S CB 0.099 63.297 63.200 -0.003 0.000 1.625 53 S HN 0.539 nan 8.310 nan 0.000 0.500 54 E N 1.769 121.969 120.200 0.001 0.000 4.188 54 E HA -0.068 4.258 4.350 -0.040 0.000 0.234 54 E C 0.332 176.928 176.600 -0.007 0.000 1.232 54 E CA 0.079 56.479 56.400 -0.001 0.000 1.125 54 E CB -0.692 29.010 29.700 0.004 0.000 1.044 54 E HN 0.779 nan 8.360 nan 0.000 0.398 55 A N 2.002 124.816 122.820 -0.011 0.000 2.273 55 A HA 0.208 4.504 4.320 -0.040 0.000 0.315 55 A C -0.059 177.511 177.584 -0.024 0.000 1.256 55 A CA -0.605 51.423 52.037 -0.014 0.000 0.851 55 A CB 0.719 19.712 19.000 -0.010 0.000 1.172 55 A HN 0.280 nan 8.150 nan 0.000 0.508 56 E N 1.278 121.462 120.200 -0.027 0.000 2.415 56 E HA 0.083 4.408 4.350 -0.040 0.000 0.263 56 E C -1.041 175.537 176.600 -0.037 0.000 0.995 56 E CA 0.280 56.655 56.400 -0.042 0.000 0.915 56 E CB 0.497 30.174 29.700 -0.037 0.000 0.951 56 E HN 0.549 nan 8.360 nan 0.000 0.449 57 D N 3.868 124.238 120.400 -0.049 0.000 2.404 57 D HA 0.099 4.715 4.640 -0.040 0.000 0.267 57 D C -0.958 175.317 176.300 -0.041 0.000 1.194 57 D CA -0.598 53.383 54.000 -0.031 0.000 0.910 57 D CB 0.251 41.035 40.800 -0.026 0.000 1.090 57 D HN 0.171 nan 8.370 nan 0.000 0.511 58 R N 3.148 123.639 120.500 -0.015 0.000 2.435 58 R HA 0.190 4.505 4.340 -0.040 0.000 0.325 58 R C 0.313 176.664 176.300 0.085 0.000 1.149 58 R CA 0.073 56.173 56.100 0.002 0.000 0.995 58 R CB -0.094 30.256 30.300 0.084 0.000 1.008 58 R HN 0.369 nan 8.270 nan 0.000 0.470 59 R N 1.836 122.322 120.500 -0.023 0.000 2.573 59 R HA 0.490 4.806 4.340 -0.040 0.000 0.272 59 R C -0.491 175.774 176.300 -0.058 0.000 1.009 59 R CA -0.438 55.691 56.100 0.049 0.000 1.059 59 R CB 1.044 31.339 30.300 -0.009 0.000 1.112 59 R HN 0.170 nan 8.270 nan 0.000 0.517 60 F N 0.156 120.085 119.950 -0.035 0.000 2.569 60 F HA 0.426 4.929 4.527 -0.041 0.000 0.312 60 F C 0.180 175.964 175.800 -0.027 0.000 1.109 60 F CA -0.763 57.210 58.000 -0.046 0.000 0.919 60 F CB 1.849 40.812 39.000 -0.061 0.000 1.211 60 F HN 0.196 nan 8.300 nan 0.000 0.446 61 R N 2.073 122.640 120.500 0.111 0.000 2.604 61 R HA 0.919 5.235 4.340 -0.040 0.000 0.287 61 R C -1.844 174.482 176.300 0.044 0.000 0.970 61 R CA -0.580 55.580 56.100 0.099 0.000 0.946 61 R CB 1.767 32.128 30.300 0.100 0.000 1.127 61 R HN 0.565 nan 8.270 nan 0.000 0.473 62 V N 3.823 123.795 119.914 0.096 0.000 2.932 62 V HA 0.477 4.573 4.120 -0.040 0.000 0.307 62 V C -1.337 174.964 176.094 0.345 0.000 1.147 62 V CA -0.854 61.497 62.300 0.085 0.000 0.951 62 V CB 2.127 33.999 31.823 0.083 0.000 1.031 62 V HN 0.563 nan 8.190 nan 0.000 0.426 63 F N 3.747 123.857 119.950 0.267 0.000 2.375 63 F HA 0.635 5.138 4.527 -0.041 0.000 0.361 63 F C 0.052 175.949 175.800 0.162 0.000 1.117 63 F CA -1.642 56.511 58.000 0.255 0.000 1.037 63 F CB 1.326 40.529 39.000 0.338 0.000 1.192 63 F HN 0.207 nan 8.300 nan 0.000 0.452 64 I N 3.906 124.656 120.570 0.300 0.000 2.339 64 I HA 0.212 4.358 4.170 -0.040 0.000 0.290 64 I C -0.241 175.966 176.117 0.150 0.000 0.994 64 I CA -0.705 60.703 61.300 0.181 0.000 1.191 64 I CB 1.269 39.340 38.000 0.118 0.000 1.343 64 I HN 0.504 nan 8.210 nan 0.000 0.458 65 H N 6.013 125.107 119.070 0.040 0.000 2.481 65 H HA 0.285 4.816 4.556 -0.040 0.000 0.339 65 H C -1.014 174.310 175.328 -0.007 0.000 1.131 65 H CA -0.386 55.660 56.048 -0.003 0.000 1.301 65 H CB 1.380 31.133 29.762 -0.015 0.000 1.476 65 H HN 0.538 nan 8.280 nan 0.000 0.529 66 D N 4.515 124.455 120.400 -0.766 0.000 2.440 66 D HA 0.096 4.711 4.640 -0.040 0.000 0.239 66 D C 0.642 176.490 176.300 -0.754 0.000 1.084 66 D CA -0.393 53.278 54.000 -0.548 0.000 0.843 66 D CB 1.524 42.160 40.800 -0.273 0.000 1.097 66 D HN 0.447 nan 8.370 nan 0.000 0.531 67 V N 3.486 123.137 119.914 -0.438 0.000 2.568 67 V HA -0.225 3.870 4.120 -0.040 0.000 0.253 67 V C 2.348 178.383 176.094 -0.098 0.000 1.072 67 V CA 2.289 64.492 62.300 -0.162 0.000 1.084 67 V CB -0.321 31.500 31.823 -0.004 0.000 0.676 67 V HN 0.685 nan 8.190 nan 0.000 0.469 68 S N -0.650 114.984 115.700 -0.110 0.000 2.603 68 S HA 0.264 4.709 4.470 -0.040 0.000 0.220 68 S C 1.518 176.076 174.600 -0.071 0.000 0.967 68 S CA 0.845 59.005 58.200 -0.068 0.000 0.920 68 S CB 0.525 63.693 63.200 -0.053 0.000 0.773 68 S HN 1.077 nan 8.310 nan 0.000 0.529 69 G N 0.244 108.984 108.800 -0.100 0.000 2.195 69 G HA2 -0.061 3.874 3.960 -0.040 0.000 0.224 69 G HA3 -0.061 3.874 3.960 -0.040 0.000 0.224 69 G C 0.316 175.166 174.900 -0.083 0.000 0.990 69 G CA -0.141 44.914 45.100 -0.075 0.000 0.639 69 G HN 1.223 nan 8.290 nan 0.000 0.514 70 A N 0.661 123.421 122.820 -0.100 0.000 2.406 70 A HA 0.643 4.939 4.320 -0.040 0.000 0.243 70 A C 0.930 178.456 177.584 -0.097 0.000 1.082 70 A CA 0.032 52.017 52.037 -0.086 0.000 0.786 70 A CB 0.231 19.183 19.000 -0.080 0.000 1.029 70 A HN 0.493 nan 8.150 nan 0.000 0.495 71 R N 1.268 121.721 120.500 -0.078 0.000 2.537 71 R HA 0.209 4.525 4.340 -0.040 0.000 0.280 71 R C -2.248 174.002 176.300 -0.083 0.000 1.058 71 R CA -0.935 55.115 56.100 -0.082 0.000 1.057 71 R CB -0.048 30.208 30.300 -0.073 0.000 0.973 71 R HN 0.599 nan 8.270 nan 0.000 0.438 72 P HA 0.135 nan 4.420 nan 0.000 0.279 72 P C -1.039 176.225 177.300 -0.059 0.000 1.276 72 P CA -0.434 62.627 63.100 -0.065 0.000 0.801 72 P CB 0.997 32.661 31.700 -0.060 0.000 1.127 73 Q N -0.768 119.031 119.800 -0.001 0.000 2.389 73 Q HA 0.351 4.667 4.340 -0.040 0.000 0.277 73 Q C -0.922 175.158 176.000 0.133 0.000 1.082 73 Q CA -0.658 55.166 55.803 0.035 0.000 0.810 73 Q CB 2.636 31.401 28.738 0.045 0.000 1.374 73 Q HN 0.440 nan 8.270 nan 0.000 0.422 74 E N 1.818 122.117 120.200 0.165 0.000 2.134 74 E HA 0.462 4.788 4.350 -0.040 0.000 0.278 74 E C -1.480 175.265 176.600 0.242 0.000 0.959 74 E CA -0.485 56.116 56.400 0.335 0.000 0.783 74 E CB 1.244 31.173 29.700 0.382 0.000 1.095 74 E HN 0.280 nan 8.360 nan 0.000 0.399 75 V N 3.868 123.928 119.914 0.244 0.000 2.588 75 V HA 0.337 4.433 4.120 -0.040 0.000 0.304 75 V C -0.430 175.753 176.094 0.148 0.000 1.042 75 V CA -0.675 61.721 62.300 0.159 0.000 0.877 75 V CB 2.295 34.190 31.823 0.120 0.000 0.996 75 V HN 0.730 nan 8.190 nan 0.000 0.425 76 T N 4.445 119.070 114.554 0.118 0.000 2.770 76 T HA 0.610 4.936 4.350 -0.040 0.000 0.283 76 T C -0.368 174.386 174.700 0.090 0.000 0.988 76 T CA -0.373 61.791 62.100 0.107 0.000 0.957 76 T CB 1.451 70.372 68.868 0.088 0.000 0.930 76 T HN 0.736 nan 8.240 nan 0.000 0.443 77 V N 1.017 120.994 119.914 0.105 0.000 2.919 77 V HA 0.922 5.018 4.120 -0.040 0.000 0.316 77 V C -0.219 175.940 176.094 0.107 0.000 1.077 77 V CA -0.854 61.495 62.300 0.081 0.000 0.977 77 V CB 2.167 34.018 31.823 0.047 0.000 1.039 77 V HN 0.760 nan 8.190 nan 0.000 0.441 78 S N 2.287 118.031 115.700 0.072 0.000 2.474 78 S HA 0.455 4.901 4.470 -0.040 0.000 0.321 78 S C 0.473 175.110 174.600 0.061 0.000 1.080 78 S CA -0.294 57.953 58.200 0.078 0.000 1.106 78 S CB 1.225 64.451 63.200 0.044 0.000 0.984 78 S HN 0.858 nan 8.310 nan 0.000 0.464 79 V N 5.092 125.062 119.914 0.094 0.000 2.667 79 V HA -0.072 4.024 4.120 -0.040 0.000 0.252 79 V C 2.407 178.515 176.094 0.023 0.000 1.065 79 V CA 2.203 64.519 62.300 0.026 0.000 1.083 79 V CB -0.837 30.992 31.823 0.011 0.000 0.692 79 V HN 0.913 nan 8.190 nan 0.000 0.468 80 T N 0.579 115.157 114.554 0.040 0.000 2.821 80 T HA -0.082 4.243 4.350 -0.040 0.000 0.267 80 T C 1.333 176.039 174.700 0.010 0.000 1.046 80 T CA 1.330 63.443 62.100 0.021 0.000 1.139 80 T CB -0.204 68.674 68.868 0.017 0.000 0.871 80 T HN 0.453 nan 8.240 nan 0.000 0.454 81 N N 0.388 119.095 118.700 0.012 0.000 2.234 81 N HA 0.232 4.947 4.740 -0.040 0.000 0.227 81 N C 1.132 176.645 175.510 0.005 0.000 1.151 81 N CA 0.235 53.289 53.050 0.007 0.000 0.865 81 N CB 0.470 38.962 38.487 0.008 0.000 1.066 81 N HN 0.431 nan 8.380 nan 0.000 0.515 82 G N 1.416 110.216 108.800 0.001 0.000 2.449 82 G HA2 -0.298 3.637 3.960 -0.040 0.000 0.304 82 G HA3 -0.298 3.637 3.960 -0.040 0.000 0.304 82 G C 0.057 174.956 174.900 -0.000 0.000 0.962 82 G CA 1.186 46.282 45.100 -0.006 0.000 0.943 82 G HN 0.341 nan 8.290 nan 0.000 0.514 83 T N -1.741 112.818 114.554 0.008 0.000 2.950 83 T HA 0.590 4.915 4.350 -0.040 0.000 0.288 83 T C 0.064 174.775 174.700 0.019 0.000 1.035 83 T CA -0.732 61.375 62.100 0.012 0.000 1.028 83 T CB 2.700 71.577 68.868 0.015 0.000 1.109 83 T HN 0.292 nan 8.240 nan 0.000 0.514 84 V N 2.349 122.275 119.914 0.020 0.000 2.259 84 V HA 0.236 4.332 4.120 -0.040 0.000 0.267 84 V C 1.169 177.282 176.094 0.031 0.000 1.051 84 V CA -0.306 62.011 62.300 0.028 0.000 0.830 84 V CB -0.138 31.700 31.823 0.025 0.000 1.080 84 V HN 0.817 nan 8.190 nan 0.000 0.467 85 I N 1.920 122.512 120.570 0.037 0.000 2.361 85 I HA -0.071 4.075 4.170 -0.040 0.000 0.251 85 I C 1.167 177.306 176.117 0.038 0.000 1.133 85 I CA 1.392 62.712 61.300 0.035 0.000 1.413 85 I CB 0.151 38.173 38.000 0.036 0.000 1.073 85 I HN 0.593 nan 8.210 nan 0.000 0.424 86 S N -0.920 114.810 115.700 0.049 0.000 2.565 86 S HA 0.796 5.242 4.470 -0.040 0.000 0.269 86 S C -1.708 172.931 174.600 0.065 0.000 1.153 86 S CA -0.312 57.920 58.200 0.053 0.000 0.835 86 S CB 1.857 65.093 63.200 0.060 0.000 1.122 86 S HN 0.151 nan 8.310 nan 0.000 0.462 87 A N 2.328 125.184 122.820 0.060 0.000 2.513 87 A HA 0.636 4.932 4.320 -0.040 0.000 0.285 87 A C -1.553 176.063 177.584 0.053 0.000 1.047 87 A CA -0.385 51.690 52.037 0.064 0.000 0.864 87 A CB 0.674 19.703 19.000 0.048 0.000 1.373 87 A HN 0.760 nan 8.150 nan 0.000 0.403 88 V N 1.652 121.603 119.914 0.063 0.000 2.864 88 V HA 0.508 4.604 4.120 -0.040 0.000 0.314 88 V C 0.125 176.231 176.094 0.021 0.000 1.073 88 V CA -0.766 61.559 62.300 0.042 0.000 0.956 88 V CB 2.026 33.882 31.823 0.055 0.000 1.023 88 V HN 0.893 nan 8.190 nan 0.000 0.435 89 E N 2.247 122.445 120.200 -0.004 0.000 2.266 89 E HA 0.543 4.868 4.350 -0.040 0.000 0.277 89 E C -1.355 175.207 176.600 -0.063 0.000 1.018 89 E CA -0.483 55.898 56.400 -0.032 0.000 0.840 89 E CB 1.758 31.438 29.700 -0.033 0.000 1.082 89 E HN 0.418 nan 8.360 nan 0.000 0.395 90 L N 2.215 123.367 121.223 -0.117 0.000 2.307 90 L HA 0.270 4.586 4.340 -0.040 0.000 0.284 90 L C 0.253 177.015 176.870 -0.179 0.000 1.023 90 L CA -0.567 54.156 54.840 -0.194 0.000 0.810 90 L CB 1.285 43.114 42.059 -0.385 0.000 1.231 90 L HN 0.416 nan 8.230 nan 0.000 0.423 91 D N 2.144 122.453 120.400 -0.152 0.000 2.522 91 D HA 0.013 4.629 4.640 -0.040 0.000 0.218 91 D C 1.388 177.591 176.300 -0.161 0.000 1.149 91 D CA -0.047 53.877 54.000 -0.126 0.000 0.981 91 D CB 1.049 41.798 40.800 -0.085 0.000 1.041 91 D HN 0.754 nan 8.370 nan 0.000 0.518 92 T N 0.158 114.592 114.554 -0.199 0.000 2.778 92 T HA -0.230 4.096 4.350 -0.040 0.000 0.269 92 T C 1.836 176.437 174.700 -0.164 0.000 1.050 92 T CA 1.220 63.186 62.100 -0.223 0.000 1.137 92 T CB -0.080 68.660 68.868 -0.214 0.000 0.860 92 T HN 0.254 nan 8.240 nan 0.000 0.468 93 A N 1.045 123.785 122.820 -0.133 0.000 2.067 93 A HA 0.494 4.790 4.320 -0.040 0.000 0.219 93 A C 2.634 180.135 177.584 -0.138 0.000 1.158 93 A CA 1.520 53.482 52.037 -0.124 0.000 0.661 93 A CB -0.974 17.968 19.000 -0.097 0.000 0.801 93 A HN 0.797 nan 8.150 nan 0.000 0.452 94 A N -0.736 122.012 122.820 -0.121 0.000 1.881 94 A HA 0.113 4.408 4.320 -0.040 0.000 0.210 94 A C 2.187 179.721 177.584 -0.083 0.000 1.239 94 A CA 1.761 53.737 52.037 -0.102 0.000 0.629 94 A CB -0.804 18.156 19.000 -0.066 0.000 0.906 94 A HN 0.674 nan 8.150 nan 0.000 0.460 95 T N -3.110 111.413 114.554 -0.051 0.000 3.107 95 T HA 0.465 4.791 4.350 -0.040 0.000 0.249 95 T C 0.905 175.708 174.700 0.172 0.000 1.096 95 T CA 0.889 63.039 62.100 0.083 0.000 1.012 95 T CB -0.378 68.524 68.868 0.056 0.000 0.977 95 T HN 1.940 nan 8.240 nan 0.000 0.527 96 G N 1.098 109.892 108.800 -0.010 0.000 2.699 96 G HA2 -0.023 3.913 3.960 -0.040 0.000 0.686 96 G HA3 -0.023 3.913 3.960 -0.040 0.000 0.686 96 G C -0.962 173.853 174.900 -0.142 0.000 1.301 96 G CA -0.990 44.117 45.100 0.011 0.000 0.816 96 G HN 0.334 nan 8.290 nan 0.000 0.595 97 E N -0.606 119.530 120.200 -0.106 0.000 2.342 97 E HA 0.580 4.905 4.350 -0.040 0.000 0.257 97 E C 0.609 177.140 176.600 -0.116 0.000 1.150 97 E CA -0.673 55.632 56.400 -0.158 0.000 0.926 97 E CB 1.051 30.679 29.700 -0.121 0.000 1.074 97 E HN 0.373 nan 8.360 nan 0.000 0.449 98 L N 1.704 122.841 121.223 -0.142 0.000 2.466 98 L HA 0.232 4.547 4.340 -0.040 0.000 0.257 98 L C -2.060 174.816 176.870 0.009 0.000 1.189 98 L CA -1.445 53.382 54.840 -0.020 0.000 0.813 98 L CB -0.574 41.472 42.059 -0.021 0.000 1.118 98 L HN 0.255 nan 8.230 nan 0.000 0.471 99 P HA -0.000 nan 4.420 nan 0.000 0.267 99 P C -0.962 176.305 177.300 -0.056 0.000 1.201 99 P CA -0.197 62.943 63.100 0.067 0.000 0.775 99 P CB 0.324 32.124 31.700 0.166 0.000 0.854 100 V N 3.941 123.778 119.914 -0.129 0.000 2.572 100 V HA 0.038 4.133 4.120 -0.040 0.000 0.291 100 V C 0.836 176.748 176.094 -0.304 0.000 1.039 100 V CA -0.002 62.079 62.300 -0.365 0.000 1.055 100 V CB -0.146 31.270 31.823 -0.678 0.000 0.969 100 V HN 0.345 nan 8.190 nan 0.000 0.482 101 L N 2.976 123.975 121.223 -0.374 0.000 2.439 101 L HA 0.258 4.574 4.340 -0.040 0.000 0.261 101 L C 1.652 178.425 176.870 -0.163 0.000 1.153 101 L CA 0.032 54.755 54.840 -0.196 0.000 0.808 101 L CB 0.568 42.513 42.059 -0.191 0.000 1.126 101 L HN 0.745 nan 8.230 nan 0.000 0.460 102 E N 0.966 121.226 120.200 0.100 0.000 2.051 102 E HA -0.259 4.066 4.350 -0.040 0.000 0.192 102 E C 1.725 178.426 176.600 0.168 0.000 0.991 102 E CA 1.750 58.329 56.400 0.299 0.000 0.799 102 E CB 0.118 29.986 29.700 0.281 0.000 0.748 102 E HN 0.762 nan 8.360 nan 0.000 0.449 103 E N 0.225 120.462 120.200 0.061 0.000 2.209 103 E HA -0.251 4.075 4.350 -0.040 0.000 0.196 103 E C 1.602 178.198 176.600 -0.006 0.000 0.993 103 E CA 1.422 57.851 56.400 0.048 0.000 0.819 103 E CB -0.182 29.543 29.700 0.042 0.000 0.745 103 E HN 0.410 nan 8.360 nan 0.000 0.477 104 E N -0.121 120.002 120.200 -0.129 0.000 2.230 104 E HA -0.052 4.273 4.350 -0.040 0.000 0.192 104 E C 1.576 178.074 176.600 -0.169 0.000 0.987 104 E CA 0.502 56.782 56.400 -0.200 0.000 0.841 104 E CB -0.111 29.379 29.700 -0.349 0.000 0.783 104 E HN 0.249 nan 8.360 nan 0.000 0.481 105 F N 2.053 122.009 119.950 0.010 0.000 2.134 105 F HA -0.123 4.380 4.527 -0.041 0.000 0.299 105 F C 2.102 177.923 175.800 0.035 0.000 1.097 105 F CA 1.167 59.182 58.000 0.026 0.000 1.264 105 F CB -0.451 38.587 39.000 0.063 0.000 1.001 105 F HN -0.009 nan 8.300 nan 0.000 0.479 106 E N -0.077 120.256 120.200 0.222 0.000 2.031 106 E HA -0.182 4.144 4.350 -0.040 0.000 0.193 106 E C 2.341 178.990 176.600 0.082 0.000 0.994 106 E CA 1.569 58.055 56.400 0.143 0.000 0.800 106 E CB -0.711 29.063 29.700 0.124 0.000 0.752 106 E HN 0.113 nan 8.360 nan 0.000 0.447 107 V N 1.505 121.448 119.914 0.049 0.000 2.418 107 V HA -0.309 3.787 4.120 -0.040 0.000 0.258 107 V C 2.334 178.418 176.094 -0.017 0.000 1.088 107 V CA 1.606 63.912 62.300 0.010 0.000 1.091 107 V CB -0.539 31.277 31.823 -0.012 0.000 0.669 107 V HN 0.158 nan 8.190 nan 0.000 0.461 108 V N -0.503 119.406 119.914 -0.008 0.000 2.255 108 V HA -0.335 3.761 4.120 -0.040 0.000 0.247 108 V C 2.389 178.416 176.094 -0.110 0.000 1.051 108 V CA 2.503 64.769 62.300 -0.057 0.000 1.018 108 V CB -0.611 31.206 31.823 -0.010 0.000 0.641 108 V HN 0.672 nan 8.190 nan 0.000 0.445 109 E N -0.350 119.823 120.200 -0.044 0.000 2.077 109 E HA -0.267 4.058 4.350 -0.040 0.000 0.193 109 E C 2.313 178.879 176.600 -0.058 0.000 0.989 109 E CA 1.491 57.863 56.400 -0.047 0.000 0.800 109 E CB -0.071 29.651 29.700 0.036 0.000 0.746 109 E HN 0.696 nan 8.360 nan 0.000 0.452 110 Q N 0.213 119.997 119.800 -0.027 0.000 2.030 110 Q HA -0.185 4.131 4.340 -0.040 0.000 0.204 110 Q C 2.467 178.440 176.000 -0.045 0.000 0.986 110 Q CA 1.663 57.456 55.803 -0.016 0.000 0.843 110 Q CB -0.185 28.553 28.738 0.001 0.000 0.904 110 Q HN 0.360 nan 8.270 nan 0.000 0.420 111 L N 0.320 121.498 121.223 -0.075 0.000 2.131 111 L HA -0.181 4.135 4.340 -0.040 0.000 0.210 111 L C 2.279 179.061 176.870 -0.146 0.000 1.092 111 L CA 0.749 55.534 54.840 -0.091 0.000 0.759 111 L CB -0.353 41.647 42.059 -0.098 0.000 0.903 111 L HN 0.260 nan 8.230 nan 0.000 0.435 112 L N -0.438 120.624 121.223 -0.268 0.000 2.156 112 L HA -0.093 4.223 4.340 -0.040 0.000 0.208 112 L C 2.786 179.527 176.870 -0.215 0.000 1.095 112 L CA 0.750 55.286 54.840 -0.507 0.000 0.770 112 L CB -0.564 40.784 42.059 -1.186 0.000 0.914 112 L HN 0.216 nan 8.230 nan 0.000 0.439 113 A N -0.247 122.543 122.820 -0.049 0.000 2.125 113 A HA -0.164 4.132 4.320 -0.040 0.000 0.219 113 A C 2.048 179.693 177.584 0.102 0.000 1.156 113 A CA 1.944 54.050 52.037 0.116 0.000 0.671 113 A CB -0.664 18.386 19.000 0.082 0.000 0.794 113 A HN 0.496 nan 8.150 nan 0.000 0.459 114 T N -3.479 111.104 114.554 0.048 0.000 3.129 114 T HA 0.187 4.513 4.350 -0.040 0.000 0.267 114 T C 0.014 174.741 174.700 0.046 0.000 1.018 114 T CA -0.130 61.996 62.100 0.043 0.000 0.903 114 T CB -0.085 68.795 68.868 0.019 0.000 1.067 114 T HN 0.316 nan 8.240 nan 0.000 0.549 115 D N 1.195 121.637 120.400 0.070 0.000 2.225 115 D HA 0.171 4.786 4.640 -0.040 0.000 0.248 115 D C 0.609 176.982 176.300 0.122 0.000 1.096 115 D CA -0.206 53.839 54.000 0.075 0.000 0.863 115 D CB 1.669 42.502 40.800 0.055 0.000 1.156 115 D HN 0.270 nan 8.370 nan 0.000 0.450 116 E N 2.551 122.797 120.200 0.076 0.000 2.051 116 E HA -0.184 4.142 4.350 -0.040 0.000 0.192 116 E C 1.887 178.531 176.600 0.074 0.000 0.991 116 E CA 1.008 57.446 56.400 0.063 0.000 0.799 116 E CB 0.295 30.016 29.700 0.034 0.000 0.748 116 E HN 0.429 nan 8.360 nan 0.000 0.449 117 R N 0.238 120.788 120.500 0.083 0.000 2.081 117 R HA -0.130 4.185 4.340 -0.040 0.000 0.235 117 R C 2.193 178.572 176.300 0.131 0.000 1.131 117 R CA 1.412 57.560 56.100 0.080 0.000 0.960 117 R CB -0.360 29.982 30.300 0.071 0.000 0.856 117 R HN 0.394 nan 8.270 nan 0.000 0.436 118 W N 1.534 122.814 121.300 -0.034 0.000 2.329 118 W HA -0.209 4.444 4.660 -0.011 0.000 0.324 118 W C 1.634 178.140 176.519 -0.022 0.000 1.222 118 W CA 1.409 58.736 57.345 -0.029 0.000 1.270 118 W CB -0.359 29.087 29.460 -0.023 0.000 1.167 118 W HN 0.070 nan 8.180 nan 0.000 0.467 119 L N 0.840 122.157 121.223 0.157 0.000 2.129 119 L HA -0.293 4.022 4.340 -0.040 0.000 0.212 119 L C 2.548 179.391 176.870 -0.046 0.000 1.087 119 L CA 1.876 56.733 54.840 0.029 0.000 0.757 119 L CB -0.904 41.200 42.059 0.075 0.000 0.896 119 L HN 0.031 nan 8.230 nan 0.000 0.434 120 K N 0.325 120.708 120.400 -0.028 0.000 2.097 120 K HA -0.137 4.159 4.320 -0.040 0.000 0.205 120 K C 2.163 178.704 176.600 -0.099 0.000 1.050 120 K CA 1.149 57.408 56.287 -0.047 0.000 0.938 120 K CB -0.041 32.446 32.500 -0.021 0.000 0.718 120 K HN 0.249 nan 8.250 nan 0.000 0.442 121 A N 1.238 123.965 122.820 -0.155 0.000 1.930 121 A HA -0.066 4.230 4.320 -0.040 0.000 0.217 121 A C 2.068 179.489 177.584 -0.271 0.000 1.175 121 A CA 1.078 52.981 52.037 -0.224 0.000 0.627 121 A CB -0.510 18.301 19.000 -0.315 0.000 0.815 121 A HN 0.298 nan 8.150 nan 0.000 0.443 122 L N -0.804 120.216 121.223 -0.338 0.000 2.056 122 L HA -0.161 4.155 4.340 -0.040 0.000 0.207 122 L C 3.099 179.872 176.870 -0.161 0.000 1.078 122 L CA 1.028 55.696 54.840 -0.285 0.000 0.749 122 L CB -0.678 41.205 42.059 -0.294 0.000 0.901 122 L HN 0.421 nan 8.230 nan 0.000 0.433 123 A N 0.339 123.087 122.820 -0.121 0.000 1.940 123 A HA -0.199 4.096 4.320 -0.040 0.000 0.219 123 A C 2.511 180.051 177.584 -0.074 0.000 1.176 123 A CA 1.822 53.812 52.037 -0.078 0.000 0.631 123 A CB -0.673 18.294 19.000 -0.055 0.000 0.814 123 A HN 0.414 nan 8.150 nan 0.000 0.446 124 A N -0.548 122.221 122.820 -0.085 0.000 2.015 124 A HA -0.095 4.201 4.320 -0.040 0.000 0.219 124 A C 2.108 179.648 177.584 -0.073 0.000 1.163 124 A CA 1.386 53.379 52.037 -0.073 0.000 0.646 124 A CB -0.298 18.656 19.000 -0.076 0.000 0.806 124 A HN 0.558 nan 8.150 nan 0.000 0.448 125 R N -0.859 119.587 120.500 -0.090 0.000 2.362 125 R HA 0.118 4.434 4.340 -0.040 0.000 0.227 125 R C -0.236 176.021 176.300 -0.071 0.000 0.905 125 R CA 0.193 56.245 56.100 -0.081 0.000 1.067 125 R CB 0.170 30.409 30.300 -0.103 0.000 1.078 125 R HN 0.459 nan 8.270 nan 0.000 0.516 126 N N 0.822 119.481 118.700 -0.068 0.000 2.747 126 N HA -0.176 4.540 4.740 -0.040 0.000 0.249 126 N C -0.913 174.562 175.510 -0.057 0.000 1.107 126 N CA 0.914 53.931 53.050 -0.054 0.000 0.707 126 N CB -1.421 37.041 38.487 -0.042 0.000 1.054 126 N HN 0.262 nan 8.380 nan 0.000 0.555 127 L N 0.502 121.680 121.223 -0.076 0.000 2.307 127 L HA 0.304 4.620 4.340 -0.040 0.000 0.282 127 L C 0.766 177.602 176.870 -0.056 0.000 1.051 127 L CA -0.761 54.035 54.840 -0.073 0.000 0.804 127 L CB 1.073 43.070 42.059 -0.103 0.000 1.197 127 L HN -0.084 nan 8.230 nan 0.000 0.431 128 D N 2.264 122.644 120.400 -0.034 0.000 2.338 128 D HA 0.005 4.621 4.640 -0.040 0.000 0.255 128 D C 0.883 177.184 176.300 0.002 0.000 1.237 128 D CA -0.013 53.979 54.000 -0.013 0.000 0.883 128 D CB 1.617 42.415 40.800 -0.003 0.000 1.087 128 D HN 0.297 nan 8.370 nan 0.000 0.485 129 V N 3.957 123.880 119.914 0.015 0.000 2.428 129 V HA -0.292 3.804 4.120 -0.040 0.000 0.255 129 V C 1.985 178.123 176.094 0.073 0.000 1.080 129 V CA 2.997 65.332 62.300 0.058 0.000 1.083 129 V CB -0.551 31.325 31.823 0.088 0.000 0.665 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.732 113.999 115.700 0.051 0.000 2.555 130 S HA -0.039 4.407 4.470 -0.040 0.000 0.230 130 S C 1.639 176.265 174.600 0.044 0.000 0.978 130 S CA 0.947 59.177 58.200 0.050 0.000 0.934 130 S CB -0.287 62.938 63.200 0.040 0.000 0.766 130 S HN 0.751 nan 8.310 nan 0.000 0.533 131 K N 0.467 120.888 120.400 0.035 0.000 2.358 131 K HA 0.302 4.598 4.320 -0.040 0.000 0.200 131 K C -0.656 175.957 176.600 0.022 0.000 1.030 131 K CA -0.047 56.252 56.287 0.020 0.000 1.097 131 K CB 1.026 33.527 32.500 0.003 0.000 0.862 131 K HN 0.197 nan 8.250 nan 0.000 0.534 132 V N 3.698 123.643 119.914 0.052 0.000 2.372 132 V HA 0.149 4.245 4.120 -0.040 0.000 0.261 132 V C 0.196 176.362 176.094 0.120 0.000 1.055 132 V CA -0.480 61.869 62.300 0.083 0.000 0.930 132 V CB 0.470 32.363 31.823 0.115 0.000 1.031 132 V HN 0.159 nan 8.190 nan 0.000 0.479 133 R N 3.511 124.065 120.500 0.090 0.000 2.410 133 R HA 0.570 4.886 4.340 -0.040 0.000 0.288 133 R C -0.690 175.711 176.300 0.169 0.000 1.051 133 R CA -0.393 55.756 56.100 0.081 0.000 1.021 133 R CB 1.703 31.989 30.300 -0.024 0.000 1.032 133 R HN 0.438 nan 8.270 nan 0.000 0.481 134 V N 1.656 121.670 119.914 0.167 0.000 2.495 134 V HA 0.475 4.570 4.120 -0.040 0.000 0.298 134 V C -0.052 176.182 176.094 0.235 0.000 1.031 134 V CA -1.131 61.309 62.300 0.233 0.000 0.871 134 V CB 1.848 33.762 31.823 0.153 0.000 0.988 134 V HN 0.833 nan 8.190 nan 0.000 0.432 135 A N 7.069 130.105 122.820 0.359 0.000 2.294 135 A HA 0.702 4.998 4.320 -0.040 0.000 0.316 135 A C -2.398 175.401 177.584 0.359 0.000 1.359 135 A CA -1.520 50.753 52.037 0.394 0.000 0.956 135 A CB 0.274 19.656 19.000 0.636 0.000 1.155 135 A HN 0.580 nan 8.150 nan 0.000 0.544 136 P HA 0.374 nan 4.420 nan 0.000 0.284 136 P C -0.862 176.643 177.300 0.341 0.000 1.343 136 P CA 0.166 63.449 63.100 0.306 0.000 0.826 136 P CB 0.611 32.551 31.700 0.400 0.000 0.956 137 L N 2.216 123.616 121.223 0.295 0.000 2.330 137 L HA 0.465 4.780 4.340 -0.040 0.000 0.271 137 L C 0.997 178.013 176.870 0.243 0.000 1.013 137 L CA -1.024 53.988 54.840 0.287 0.000 0.816 137 L CB 1.487 43.699 42.059 0.254 0.000 1.287 137 L HN 0.264 nan 8.230 nan 0.000 0.435 138 S N 0.291 116.159 115.700 0.281 0.000 2.566 138 S HA 0.194 4.640 4.470 -0.040 0.000 0.280 138 S C 0.850 175.566 174.600 0.193 0.000 1.343 138 S CA -0.095 58.218 58.200 0.188 0.000 1.036 138 S CB 1.290 64.659 63.200 0.282 0.000 0.866 138 S HN 0.751 nan 8.310 nan 0.000 0.526 139 A N 2.590 125.449 122.820 0.064 0.000 1.984 139 A HA 0.551 4.847 4.320 -0.040 0.000 0.214 139 A C 1.543 179.284 177.584 0.263 0.000 1.173 139 A CA 0.716 52.755 52.037 0.003 0.000 0.673 139 A CB -1.462 17.448 19.000 -0.149 0.000 0.830 139 A HN 2.246 nan 8.150 nan 0.000 0.453 140 G N -1.789 107.135 108.800 0.207 0.000 2.645 140 G HA2 -0.057 3.879 3.960 -0.040 0.000 0.239 140 G HA3 -0.057 3.879 3.960 -0.040 0.000 0.239 140 G C -0.396 174.498 174.900 -0.011 0.000 1.331 140 G CA -0.228 44.971 45.100 0.165 0.000 0.890 140 G HN 1.140 nan 8.290 nan 0.000 0.572 141 V N 0.924 120.637 119.914 -0.336 0.000 2.419 141 V HA 0.717 4.813 4.120 -0.040 0.000 0.287 141 V C -0.302 175.397 176.094 -0.658 0.000 1.017 141 V CA -0.352 61.750 62.300 -0.329 0.000 0.844 141 V CB 0.794 32.458 31.823 -0.265 0.000 1.011 141 V HN 0.686 nan 8.190 nan 0.000 0.429 142 F N 1.544 121.484 119.950 -0.018 0.000 2.900 142 F HA 0.453 4.958 4.527 -0.038 0.000 0.375 142 F C 1.544 177.220 175.800 -0.207 0.000 1.258 142 F CA -0.891 57.053 58.000 -0.094 0.000 1.094 142 F CB 0.555 39.502 39.000 -0.087 0.000 1.505 142 F HN 0.471 nan 8.300 nan 0.000 0.510 143 E N 0.439 120.549 120.200 -0.150 0.000 2.526 143 E HA -0.197 4.129 4.350 -0.040 0.000 0.205 143 E C -0.819 175.605 176.600 -0.292 0.000 1.104 143 E CA 0.831 57.077 56.400 -0.257 0.000 0.899 143 E CB -1.244 28.303 29.700 -0.256 0.000 0.838 143 E HN 0.500 nan 8.360 nan 0.000 0.564 144 Y N 0.849 121.199 120.300 0.083 0.000 2.691 144 Y HA 0.466 4.992 4.550 -0.040 0.000 0.338 144 Y C 1.626 177.536 175.900 0.015 0.000 1.148 144 Y CA -0.336 57.794 58.100 0.051 0.000 1.430 144 Y CB 0.453 38.938 38.460 0.042 0.000 1.303 144 Y HN 0.041 nan 8.280 nan 0.000 0.499 145 A N 2.213 125.101 122.820 0.114 0.000 1.927 145 A HA -0.252 4.044 4.320 -0.040 0.000 0.220 145 A C 2.148 179.761 177.584 0.048 0.000 1.185 145 A CA 2.025 54.095 52.037 0.054 0.000 0.639 145 A CB -0.307 18.714 19.000 0.035 0.000 0.820 145 A HN 0.705 nan 8.150 nan 0.000 0.451 146 E N 0.633 120.875 120.200 0.070 0.000 2.515 146 E HA -0.152 4.174 4.350 -0.040 0.000 0.201 146 E C 1.036 177.649 176.600 0.022 0.000 1.071 146 E CA 1.187 57.610 56.400 0.039 0.000 0.880 146 E CB -0.404 29.321 29.700 0.041 0.000 0.828 146 E HN 0.782 nan 8.360 nan 0.000 0.540 147 E N 0.594 120.815 120.200 0.034 0.000 2.340 147 E HA 0.074 4.399 4.350 -0.040 0.000 0.194 147 E C 0.138 176.722 176.600 -0.027 0.000 0.996 147 E CA -0.216 56.185 56.400 0.002 0.000 0.869 147 E CB 0.184 29.898 29.700 0.024 0.000 0.835 147 E HN 0.190 nan 8.360 nan 0.000 0.493 148 R N 0.662 121.146 120.500 -0.027 0.000 2.483 148 R HA 0.097 4.413 4.340 -0.040 0.000 0.329 148 R C 0.816 177.081 176.300 -0.058 0.000 0.961 148 R CA 0.740 56.807 56.100 -0.053 0.000 1.041 148 R CB 0.060 30.328 30.300 -0.053 0.000 0.930 148 R HN 0.313 nan 8.270 nan 0.000 0.413 149 G N 2.268 111.025 108.800 -0.073 0.000 2.284 149 G HA2 -0.226 3.709 3.960 -0.040 0.000 0.216 149 G HA3 -0.226 3.709 3.960 -0.040 0.000 0.216 149 G C 0.022 174.883 174.900 -0.065 0.000 1.009 149 G CA -0.590 44.467 45.100 -0.072 0.000 0.625 149 G HN 0.423 nan 8.290 nan 0.000 0.501 150 R N 0.682 121.147 120.500 -0.058 0.000 2.500 150 R HA 0.599 4.914 4.340 -0.040 0.000 0.275 150 R C 0.197 176.455 176.300 -0.070 0.000 1.051 150 R CA -0.680 55.387 56.100 -0.055 0.000 1.088 150 R CB 0.404 30.674 30.300 -0.048 0.000 1.063 150 R HN 0.365 nan 8.270 nan 0.000 0.511 151 R N 2.129 122.586 120.500 -0.072 0.000 2.287 151 R HA 0.341 4.657 4.340 -0.040 0.000 0.327 151 R C -0.123 176.109 176.300 -0.113 0.000 1.109 151 R CA -0.349 55.689 56.100 -0.103 0.000 1.013 151 R CB 0.427 30.657 30.300 -0.116 0.000 1.126 151 R HN 0.306 nan 8.270 nan 0.000 0.503 152 I N 4.196 124.694 120.570 -0.120 0.000 2.428 152 I HA 0.372 4.518 4.170 -0.040 0.000 0.296 152 I C 0.262 176.288 176.117 -0.152 0.000 0.985 152 I CA -0.679 60.538 61.300 -0.138 0.000 1.260 152 I CB 1.227 39.127 38.000 -0.166 0.000 1.389 152 I HN 0.460 nan 8.210 nan 0.000 0.484 153 L N 5.663 126.798 121.223 -0.146 0.000 2.370 153 L HA 0.562 4.877 4.340 -0.040 0.000 0.266 153 L C -0.220 176.564 176.870 -0.144 0.000 1.002 153 L CA -0.839 53.932 54.840 -0.115 0.000 0.818 153 L CB 2.552 44.572 42.059 -0.065 0.000 1.325 153 L HN 0.536 nan 8.230 nan 0.000 0.418 154 R N 0.771 121.173 120.500 -0.164 0.000 2.562 154 R HA 0.645 4.960 4.340 -0.040 0.000 0.298 154 R C -0.347 175.958 176.300 0.008 0.000 0.961 154 R CA -0.732 55.241 56.100 -0.212 0.000 0.881 154 R CB 2.163 31.985 30.300 -0.796 0.000 1.159 154 R HN 0.748 nan 8.270 nan 0.000 0.450 155 G N 2.843 111.678 108.800 0.058 0.000 2.461 155 G HA2 0.600 4.536 3.960 -0.040 0.000 0.323 155 G HA3 0.600 4.536 3.960 -0.040 0.000 0.323 155 G C -0.842 174.249 174.900 0.319 0.000 1.229 155 G CA -0.585 44.610 45.100 0.159 0.000 0.941 155 G HN 0.292 nan 8.290 nan 0.000 0.477 156 L N 1.396 122.887 121.223 0.446 0.000 2.346 156 L HA 0.715 5.030 4.340 -0.040 0.000 0.276 156 L C 0.481 177.578 176.870 0.377 0.000 1.006 156 L CA -0.997 54.114 54.840 0.453 0.000 0.817 156 L CB 2.220 44.650 42.059 0.618 0.000 1.272 156 L HN 0.626 nan 8.230 nan 0.000 0.421 157 A N 2.831 125.733 122.820 0.138 0.000 2.303 157 A HA 0.851 5.147 4.320 -0.040 0.000 0.317 157 A C -1.200 176.106 177.584 -0.464 0.000 1.149 157 A CA -0.190 51.879 52.037 0.052 0.000 0.822 157 A CB 0.510 19.578 19.000 0.113 0.000 1.131 157 A HN 0.511 nan 8.150 nan 0.000 0.493 158 F N 0.900 120.827 119.950 -0.038 0.000 2.574 158 F HA 0.415 4.922 4.527 -0.033 0.000 0.313 158 F C -0.131 175.615 175.800 -0.090 0.000 1.130 158 F CA -0.662 57.263 58.000 -0.125 0.000 0.936 158 F CB 2.291 41.080 39.000 -0.353 0.000 1.219 158 F HN 0.327 nan 8.300 nan 0.000 0.445 159 V N 2.898 122.857 119.914 0.074 0.000 2.498 159 V HA 0.261 4.357 4.120 -0.040 0.000 0.279 159 V C -0.223 175.902 176.094 0.052 0.000 1.048 159 V CA -0.475 61.843 62.300 0.030 0.000 0.967 159 V CB 1.385 33.181 31.823 -0.045 0.000 0.988 159 V HN 0.772 nan 8.190 nan 0.000 0.473 160 Q N 2.814 122.599 119.800 -0.025 0.000 2.508 160 Q HA 0.212 4.528 4.340 -0.040 0.000 0.247 160 Q C 0.103 176.035 176.000 -0.114 0.000 1.047 160 Q CA -0.577 55.174 55.803 -0.085 0.000 0.783 160 Q CB 0.961 29.640 28.738 -0.098 0.000 1.172 160 Q HN 0.783 nan 8.270 nan 0.000 0.515 161 D N 2.917 123.213 120.400 -0.175 0.000 2.221 161 D HA -0.072 4.544 4.640 -0.040 0.000 0.204 161 D C 0.117 176.490 176.300 0.121 0.000 0.982 161 D CA 1.362 55.327 54.000 -0.058 0.000 0.857 161 D CB 0.075 40.877 40.800 0.004 0.000 0.934 161 D HN 0.448 nan 8.370 nan 0.000 0.475 162 F N -4.942 115.014 119.950 0.011 0.000 2.713 162 F HA 0.369 4.868 4.527 -0.047 0.000 0.311 162 F C -2.441 173.362 175.800 0.004 0.000 1.141 162 F CA -2.071 55.933 58.000 0.007 0.000 0.939 162 F CB 0.569 39.574 39.000 0.008 0.000 1.325 162 F HN -0.419 nan 8.300 nan 0.000 0.453 163 P HA -0.195 nan 4.420 nan 0.000 0.217 163 P C 0.509 177.847 177.300 0.063 0.000 1.162 163 P CA 2.321 65.487 63.100 0.111 0.000 0.901 163 P CB 0.129 31.905 31.700 0.127 0.000 0.793 164 E N -1.013 119.294 120.200 0.178 0.000 2.403 164 E HA 0.020 4.345 4.350 -0.040 0.000 0.187 164 E C -0.018 176.508 176.600 -0.123 0.000 1.073 164 E CA -0.126 56.324 56.400 0.082 0.000 0.888 164 E CB -0.347 29.454 29.700 0.168 0.000 1.035 164 E HN 0.331 nan 8.360 nan 0.000 0.471 165 D N 0.368 120.473 120.400 -0.492 0.000 2.264 165 D HA 0.018 4.634 4.640 -0.040 0.000 0.249 165 D C -0.609 175.480 176.300 -0.352 0.000 1.070 165 D CA -0.142 53.400 54.000 -0.763 0.000 0.912 165 D CB 1.236 41.244 40.800 -1.320 0.000 1.193 165 D HN -0.185 nan 8.370 nan 0.000 0.427 166 S N 2.260 117.804 115.700 -0.261 0.000 2.409 166 S HA 0.426 4.872 4.470 -0.040 0.000 0.308 166 S C 1.062 175.609 174.600 -0.088 0.000 1.080 166 S CA -0.247 57.889 58.200 -0.107 0.000 1.081 166 S CB 0.291 63.467 63.200 -0.039 0.000 1.009 166 S HN 0.512 nan 8.310 nan 0.000 0.502 167 A N 4.977 127.652 122.820 -0.241 0.000 2.024 167 A HA -0.053 4.243 4.320 -0.040 0.000 0.220 167 A C 1.455 178.942 177.584 -0.162 0.000 1.164 167 A CA 1.053 52.962 52.037 -0.215 0.000 0.643 167 A CB -0.788 17.993 19.000 -0.364 0.000 0.806 167 A HN 0.997 nan 8.150 nan 0.000 0.451 168 W N -0.172 121.158 121.300 0.051 0.000 2.364 168 W HA -0.068 4.573 4.660 -0.032 0.000 0.281 168 W C 2.418 179.077 176.519 0.234 0.000 1.219 168 W CA 0.873 58.257 57.345 0.066 0.000 1.220 168 W CB -0.168 29.317 29.460 0.042 0.000 1.127 168 W HN 0.371 nan 8.180 nan 0.000 0.556 169 A N -0.596 122.403 122.820 0.299 0.000 2.209 169 A HA -0.070 4.226 4.320 -0.040 0.000 0.212 169 A C 0.056 177.385 177.584 -0.424 0.000 1.158 169 A CA 0.828 52.877 52.037 0.021 0.000 0.742 169 A CB -0.890 18.108 19.000 -0.004 0.000 0.790 169 A HN 0.488 nan 8.150 nan 0.000 0.472 170 H N -0.325 118.854 119.070 0.181 0.000 2.439 170 H HA 0.251 4.793 4.556 -0.022 0.000 0.230 170 H C -2.821 172.478 175.328 -0.048 0.000 1.420 170 H CA -1.930 54.153 56.048 0.057 0.000 1.305 170 H CB 0.391 30.170 29.762 0.028 0.000 1.667 170 H HN 0.264 nan 8.280 nan 0.000 0.515 171 P HA -0.012 nan 4.420 nan 0.000 0.271 171 P C -0.023 177.066 177.300 -0.351 0.000 1.218 171 P CA -0.164 62.633 63.100 -0.506 0.000 0.780 171 P CB 2.055 33.558 31.700 -0.329 0.000 0.901 172 V N 3.521 123.164 119.914 -0.451 0.000 2.259 172 V HA 0.156 4.251 4.120 -0.040 0.000 0.267 172 V C 0.651 176.602 176.094 -0.237 0.000 1.051 172 V CA -0.284 61.859 62.300 -0.261 0.000 0.830 172 V CB 0.436 32.112 31.823 -0.245 0.000 1.080 172 V HN 0.527 nan 8.190 nan 0.000 0.467 173 D N 2.920 123.193 120.400 -0.212 0.000 2.377 173 D HA 0.408 5.024 4.640 -0.040 0.000 0.245 173 D C 1.350 177.610 176.300 -0.066 0.000 1.196 173 D CA 1.355 55.180 54.000 -0.291 0.000 0.962 173 D CB 1.737 42.092 40.800 -0.742 0.000 1.127 173 D HN 0.724 nan 8.370 nan 0.000 0.471 174 G N -0.183 108.592 108.800 -0.042 0.000 2.184 174 G HA2 -0.238 3.698 3.960 -0.040 0.000 0.264 174 G HA3 -0.238 3.698 3.960 -0.040 0.000 0.264 174 G C -0.014 174.932 174.900 0.077 0.000 0.975 174 G CA 0.724 45.939 45.100 0.193 0.000 0.642 174 G HN 0.478 nan 8.290 nan 0.000 0.536 175 L N -0.021 121.214 121.223 0.021 0.000 2.408 175 L HA 0.921 5.237 4.340 -0.040 0.000 0.268 175 L C -0.739 176.206 176.870 0.125 0.000 0.986 175 L CA -1.082 53.767 54.840 0.014 0.000 0.820 175 L CB 2.439 44.418 42.059 -0.133 0.000 1.303 175 L HN 0.629 nan 8.230 nan 0.000 0.411 176 V N 4.128 124.150 119.914 0.181 0.000 2.891 176 V HA 0.931 5.027 4.120 -0.040 0.000 0.304 176 V C -1.201 174.963 176.094 0.116 0.000 1.171 176 V CA 0.269 62.714 62.300 0.243 0.000 0.943 176 V CB 1.995 33.982 31.823 0.273 0.000 1.037 176 V HN 1.184 nan 8.190 nan 0.000 0.427 177 A N 5.606 128.496 122.820 0.117 0.000 2.355 177 A HA 0.956 5.251 4.320 -0.040 0.000 0.324 177 A C -1.807 175.768 177.584 -0.015 0.000 1.117 177 A CA -0.455 51.525 52.037 -0.095 0.000 0.785 177 A CB 1.415 20.252 19.000 -0.272 0.000 1.254 177 A HN 0.818 nan 8.150 nan 0.000 0.453 178 Y N 0.564 120.724 120.300 -0.233 0.000 2.377 178 Y HA 0.598 5.124 4.550 -0.039 0.000 0.339 178 Y C -0.140 175.628 175.900 -0.221 0.000 1.011 178 Y CA -1.640 56.294 58.100 -0.277 0.000 1.093 178 Y CB 1.761 40.019 38.460 -0.338 0.000 1.201 178 Y HN 0.350 nan 8.280 nan 0.000 0.455 179 V N 3.169 123.055 119.914 -0.045 0.000 2.638 179 V HA 0.216 4.311 4.120 -0.040 0.000 0.306 179 V C -0.609 175.435 176.094 -0.083 0.000 1.052 179 V CA -1.128 61.123 62.300 -0.082 0.000 0.885 179 V CB 2.224 33.981 31.823 -0.110 0.000 0.999 179 V HN 0.662 nan 8.190 nan 0.000 0.424 180 D N 3.377 123.734 120.400 -0.071 0.000 2.365 180 D HA 0.138 4.754 4.640 -0.040 0.000 0.237 180 D C 1.052 177.313 176.300 -0.066 0.000 1.190 180 D CA -0.179 53.781 54.000 -0.067 0.000 0.867 180 D CB 1.941 42.710 40.800 -0.051 0.000 1.050 180 D HN 0.456 nan 8.370 nan 0.000 0.491 181 V N 2.588 122.454 119.914 -0.080 0.000 3.305 181 V HA -0.108 3.988 4.120 -0.040 0.000 0.269 181 V C 1.855 177.925 176.094 -0.040 0.000 1.157 181 V CA 1.232 63.486 62.300 -0.077 0.000 1.157 181 V CB -0.774 30.973 31.823 -0.126 0.000 0.772 181 V HN 0.485 nan 8.190 nan 0.000 0.498 182 V N -0.017 119.883 119.914 -0.024 0.000 2.436 182 V HA 0.040 4.136 4.120 -0.040 0.000 0.240 182 V C 2.444 178.533 176.094 -0.008 0.000 1.040 182 V CA 1.715 64.020 62.300 0.009 0.000 1.052 182 V CB -0.381 31.460 31.823 0.031 0.000 0.707 182 V HN 0.602 nan 8.190 nan 0.000 0.469 183 S N -0.400 115.288 115.700 -0.020 0.000 2.561 183 S HA 0.088 4.533 4.470 -0.040 0.000 0.225 183 S C 1.002 175.588 174.600 -0.024 0.000 0.977 183 S CA 0.496 58.683 58.200 -0.021 0.000 0.926 183 S CB -0.740 62.445 63.200 -0.024 0.000 0.769 183 S HN 0.730 nan 8.310 nan 0.000 0.533 184 K N 1.053 121.435 120.400 -0.029 0.000 3.148 184 K HA -0.160 4.135 4.320 -0.040 0.000 0.267 184 K C -1.018 175.558 176.600 -0.040 0.000 0.996 184 K CA 0.903 57.169 56.287 -0.034 0.000 0.737 184 K CB -1.760 30.726 32.500 -0.024 0.000 1.308 184 K HN 0.713 nan 8.250 nan 0.000 0.470 185 E N -0.058 120.114 120.200 -0.045 0.000 2.238 185 E HA 0.341 4.667 4.350 -0.040 0.000 0.267 185 E C -0.362 176.201 176.600 -0.062 0.000 0.887 185 E CA -1.028 55.344 56.400 -0.047 0.000 0.769 185 E CB 2.215 31.893 29.700 -0.037 0.000 1.187 185 E HN -0.059 nan 8.360 nan 0.000 0.416 186 V N 3.057 122.929 119.914 -0.069 0.000 2.338 186 V HA -0.028 4.068 4.120 -0.040 0.000 0.255 186 V C 1.527 177.580 176.094 -0.069 0.000 1.082 186 V CA 0.365 62.611 62.300 -0.089 0.000 0.951 186 V CB 0.020 31.779 31.823 -0.107 0.000 1.102 186 V HN 0.946 nan 8.190 nan 0.000 0.489 187 T N 2.324 116.842 114.554 -0.059 0.000 2.962 187 T HA -0.001 4.324 4.350 -0.040 0.000 0.270 187 T C 0.808 175.461 174.700 -0.078 0.000 1.088 187 T CA 0.766 62.837 62.100 -0.049 0.000 1.127 187 T CB 0.288 69.139 68.868 -0.028 0.000 0.883 187 T HN 0.530 nan 8.240 nan 0.000 0.493 188 R N -1.158 119.265 120.500 -0.128 0.000 2.739 188 R HA 0.552 4.867 4.340 -0.040 0.000 0.266 188 R C -2.493 173.646 176.300 -0.268 0.000 1.044 188 R CA -0.617 55.346 56.100 -0.227 0.000 0.885 188 R CB 2.092 32.159 30.300 -0.387 0.000 1.260 188 R HN 0.096 nan 8.270 nan 0.000 0.477 189 V N 4.483 124.279 119.914 -0.196 0.000 2.623 189 V HA 0.538 4.633 4.120 -0.040 0.000 0.304 189 V C -0.584 175.440 176.094 -0.116 0.000 1.054 189 V CA -0.601 61.648 62.300 -0.085 0.000 0.882 189 V CB 2.032 33.908 31.823 0.088 0.000 1.002 189 V HN 0.540 nan 8.190 nan 0.000 0.424 190 I N 3.857 124.356 120.570 -0.119 0.000 2.406 190 I HA 0.499 4.644 4.170 -0.040 0.000 0.290 190 I C -0.993 175.115 176.117 -0.014 0.000 0.999 190 I CA -0.307 60.942 61.300 -0.085 0.000 1.124 190 I CB 2.028 39.955 38.000 -0.122 0.000 1.289 190 I HN 0.511 nan 8.210 nan 0.000 0.441 191 D N 4.641 125.035 120.400 -0.009 0.000 2.420 191 D HA 0.134 4.750 4.640 -0.040 0.000 0.255 191 D C 0.958 177.268 176.300 0.016 0.000 1.185 191 D CA -0.281 53.717 54.000 -0.003 0.000 0.904 191 D CB 1.430 42.211 40.800 -0.032 0.000 1.102 191 D HN 0.669 nan 8.370 nan 0.000 0.534 192 T N 0.080 114.667 114.554 0.053 0.000 3.085 192 T HA 0.388 4.714 4.350 -0.040 0.000 0.263 192 T C 0.989 175.720 174.700 0.051 0.000 1.127 192 T CA 0.447 62.587 62.100 0.067 0.000 1.103 192 T CB 0.265 69.201 68.868 0.114 0.000 0.921 192 T HN 0.514 nan 8.240 nan 0.000 0.510 193 G N -0.144 108.684 108.800 0.047 0.000 2.345 193 G HA2 0.348 4.284 3.960 -0.040 0.000 0.310 193 G HA3 0.348 4.284 3.960 -0.040 0.000 0.310 193 G C -1.390 173.510 174.900 -0.000 0.000 1.476 193 G CA -0.704 44.378 45.100 -0.030 0.000 0.978 193 G HN 0.254 nan 8.290 nan 0.000 0.656 194 V N 0.539 120.401 119.914 -0.087 0.000 2.649 194 V HA 0.686 4.782 4.120 -0.040 0.000 0.292 194 V C -0.234 175.787 176.094 -0.123 0.000 1.055 194 V CA 0.117 62.389 62.300 -0.047 0.000 1.023 194 V CB 0.964 32.744 31.823 -0.072 0.000 0.992 194 V HN 0.555 nan 8.190 nan 0.000 0.480 195 F N 3.599 123.510 119.950 -0.066 0.000 2.565 195 F HA 0.556 5.051 4.527 -0.053 0.000 0.313 195 F C -2.085 173.682 175.800 -0.054 0.000 1.091 195 F CA -2.182 55.784 58.000 -0.057 0.000 0.915 195 F CB 1.990 40.955 39.000 -0.060 0.000 1.208 195 F HN 0.342 nan 8.300 nan 0.000 0.453 196 P HA 0.121 nan 4.420 nan 0.000 0.267 196 P C -1.004 176.345 177.300 0.082 0.000 1.200 196 P CA -0.168 62.978 63.100 0.076 0.000 0.772 196 P CB 0.553 32.292 31.700 0.064 0.000 0.855 197 V N 5.825 125.767 119.914 0.046 0.000 2.383 197 V HA 0.203 4.299 4.120 -0.040 0.000 0.275 197 V C -1.926 174.219 176.094 0.085 0.000 1.036 197 V CA -1.668 60.657 62.300 0.043 0.000 0.889 197 V CB 0.712 32.541 31.823 0.010 0.000 0.985 197 V HN 0.571 nan 8.190 nan 0.000 0.459 198 P HA 0.011 nan 4.420 nan 0.000 0.260 198 P C 0.406 177.866 177.300 0.267 0.000 1.172 198 P CA 0.428 63.597 63.100 0.115 0.000 0.760 198 P CB 0.780 32.496 31.700 0.027 0.000 0.773 199 A N 3.372 126.311 122.820 0.198 0.000 2.044 199 A HA -0.005 4.290 4.320 -0.040 0.000 0.213 199 A C 0.994 178.755 177.584 0.295 0.000 1.169 199 A CA 0.324 52.491 52.037 0.216 0.000 0.724 199 A CB -0.436 18.625 19.000 0.103 0.000 0.840 199 A HN 0.568 nan 8.150 nan 0.000 0.463 200 E N 1.021 121.353 120.200 0.219 0.000 2.414 200 E HA 0.132 4.458 4.350 -0.040 0.000 0.263 200 E C -0.221 176.578 176.600 0.331 0.000 1.000 200 E CA -0.372 56.148 56.400 0.201 0.000 0.914 200 E CB 0.325 30.115 29.700 0.150 0.000 0.948 200 E HN 0.687 nan 8.360 nan 0.000 0.444 201 H N 1.599 120.836 119.070 0.277 0.000 2.509 201 H HA 0.448 4.978 4.556 -0.043 0.000 0.359 201 H C 0.190 175.650 175.328 0.220 0.000 1.253 201 H CA -1.044 55.148 56.048 0.240 0.000 1.373 201 H CB 1.347 31.252 29.762 0.238 0.000 1.555 201 H HN 0.442 nan 8.280 nan 0.000 0.586 202 G N 1.171 110.172 108.800 0.335 0.000 4.716 202 G HA2 0.054 3.990 3.960 -0.040 0.000 0.282 202 G HA3 0.054 3.990 3.960 -0.040 0.000 0.282 202 G C -0.763 174.010 174.900 -0.212 0.000 1.173 202 G CA -0.696 44.463 45.100 0.098 0.000 0.913 202 G HN 0.612 nan 8.290 nan 0.000 0.566 203 N N 1.808 120.218 118.700 -0.483 0.000 2.605 203 N HA 0.098 4.814 4.740 -0.040 0.000 0.258 203 N C 1.008 176.252 175.510 -0.443 0.000 1.156 203 N CA -0.497 52.164 53.050 -0.648 0.000 1.008 203 N CB 0.372 38.431 38.487 -0.713 0.000 1.354 203 N HN 0.588 nan 8.380 nan 0.000 0.509 204 Y N -0.792 119.403 120.300 -0.174 0.000 2.651 204 Y HA -0.026 4.500 4.550 -0.040 0.000 0.293 204 Y C 1.333 177.188 175.900 -0.075 0.000 1.151 204 Y CA 0.308 58.334 58.100 -0.123 0.000 1.362 204 Y CB -0.528 37.839 38.460 -0.155 0.000 0.973 204 Y HN 0.115 nan 8.280 nan 0.000 0.561 205 T N -0.931 113.532 114.554 -0.151 0.000 3.040 205 T HA -0.006 4.319 4.350 -0.040 0.000 0.250 205 T C -0.013 174.661 174.700 -0.042 0.000 1.058 205 T CA 0.070 62.139 62.100 -0.052 0.000 0.988 205 T CB -0.174 68.646 68.868 -0.080 0.000 0.993 205 T HN 0.255 nan 8.240 nan 0.000 0.519 206 D N 2.031 122.390 120.400 -0.067 0.000 2.325 206 D HA 0.170 4.786 4.640 -0.040 0.000 0.251 206 D C -1.871 174.460 176.300 0.051 0.000 1.196 206 D CA -2.432 51.566 54.000 -0.005 0.000 0.866 206 D CB 1.814 42.606 40.800 -0.012 0.000 1.101 206 D HN -0.020 nan 8.370 nan 0.000 0.476 207 P HA -0.153 nan 4.420 nan 0.000 0.221 207 P C 0.843 178.181 177.300 0.064 0.000 1.145 207 P CA 1.102 64.231 63.100 0.048 0.000 0.795 207 P CB 0.205 31.925 31.700 0.033 0.000 0.775 208 E N -1.116 119.139 120.200 0.091 0.000 2.208 208 E HA -0.135 4.191 4.350 -0.040 0.000 0.193 208 E C 1.750 178.417 176.600 0.111 0.000 0.988 208 E CA 0.780 57.237 56.400 0.095 0.000 0.828 208 E CB -1.133 28.634 29.700 0.111 0.000 0.763 208 E HN 0.124 nan 8.360 nan 0.000 0.478 209 L N 1.195 122.513 121.223 0.158 0.000 2.130 209 L HA 0.035 4.351 4.340 -0.040 0.000 0.200 209 L C 2.471 179.402 176.870 0.101 0.000 1.075 209 L CA 2.252 57.193 54.840 0.167 0.000 0.768 209 L CB -0.864 41.356 42.059 0.268 0.000 0.933 209 L HN 0.401 nan 8.230 nan 0.000 0.451 210 T N -2.160 112.443 114.554 0.082 0.000 2.708 210 T HA 0.292 4.618 4.350 -0.040 0.000 0.266 210 T C 1.222 175.950 174.700 0.048 0.000 1.037 210 T CA 0.853 62.988 62.100 0.058 0.000 1.146 210 T CB -1.027 67.870 68.868 0.049 0.000 0.865 210 T HN 0.885 nan 8.240 nan 0.000 0.435 211 G N 1.890 110.718 108.800 0.047 0.000 2.660 211 G HA2 0.029 3.965 3.960 -0.040 0.000 0.247 211 G HA3 0.029 3.965 3.960 -0.040 0.000 0.247 211 G C -2.898 172.020 174.900 0.030 0.000 1.328 211 G CA -0.570 44.552 45.100 0.037 0.000 0.884 211 G HN 0.608 nan 8.290 nan 0.000 0.531 212 P HA 0.440 nan 4.420 nan 0.000 0.271 212 P C -0.004 177.307 177.300 0.018 0.000 1.220 212 P CA -0.341 62.771 63.100 0.019 0.000 0.768 212 P CB 0.882 32.591 31.700 0.016 0.000 0.848 213 L N 4.164 125.397 121.223 0.016 0.000 2.483 213 L HA 0.048 4.364 4.340 -0.040 0.000 0.276 213 L C 1.656 178.532 176.870 0.011 0.000 1.213 213 L CA 0.364 55.213 54.840 0.014 0.000 0.843 213 L CB -0.334 41.733 42.059 0.013 0.000 1.107 213 L HN 0.485 nan 8.230 nan 0.000 0.487 214 R N 0.494 121.000 120.500 0.009 0.000 2.543 214 R HA 0.267 4.583 4.340 -0.040 0.000 0.277 214 R C 0.159 176.463 176.300 0.005 0.000 1.074 214 R CA 0.253 56.357 56.100 0.007 0.000 1.076 214 R CB -0.175 30.128 30.300 0.005 0.000 0.993 214 R HN 0.717 nan 8.270 nan 0.000 0.459 215 T N -2.741 111.816 114.554 0.005 0.000 3.174 215 T HA 0.016 4.342 4.350 -0.040 0.000 0.269 215 T C 1.195 175.896 174.700 0.003 0.000 1.017 215 T CA 0.059 62.161 62.100 0.004 0.000 0.899 215 T CB 0.281 69.152 68.868 0.005 0.000 1.077 215 T HN 0.764 nan 8.240 nan 0.000 0.552 216 T N -0.787 113.768 114.554 0.002 0.000 3.067 216 T HA 0.128 4.454 4.350 -0.040 0.000 0.257 216 T C 0.765 175.465 174.700 -0.001 0.000 1.105 216 T CA -0.084 62.016 62.100 0.000 0.000 1.104 216 T CB -0.331 68.537 68.868 -0.000 0.000 0.925 216 T HN 0.429 nan 8.240 nan 0.000 0.498 217 Q N 1.708 121.508 119.800 -0.000 0.000 2.293 217 Q HA 0.368 4.683 4.340 -0.040 0.000 0.263 217 Q C -0.782 175.219 176.000 0.000 0.000 1.002 217 Q CA -0.149 55.653 55.803 -0.001 0.000 0.910 217 Q CB 0.809 29.546 28.738 -0.001 0.000 1.185 217 Q HN 0.138 nan 8.270 nan 0.000 0.401 218 K N 3.465 123.865 120.400 -0.000 0.000 2.118 218 K HA 0.352 4.648 4.320 -0.040 0.000 0.267 218 K C -2.122 174.479 176.600 0.002 0.000 0.991 218 K CA -1.614 54.673 56.287 0.001 0.000 0.916 218 K CB 0.464 32.964 32.500 -0.000 0.000 1.041 218 K HN 0.406 nan 8.250 nan 0.000 0.455 219 P HA 0.202 nan 4.420 nan 0.000 0.272 219 P C -0.753 176.551 177.300 0.007 0.000 1.223 219 P CA -0.059 63.045 63.100 0.006 0.000 0.784 219 P CB 0.616 32.321 31.700 0.007 0.000 0.923 220 I N 1.130 121.706 120.570 0.009 0.000 2.411 220 I HA 0.130 4.276 4.170 -0.040 0.000 0.284 220 I C -0.156 175.971 176.117 0.017 0.000 1.012 220 I CA -0.450 60.857 61.300 0.012 0.000 1.119 220 I CB 1.624 39.631 38.000 0.012 0.000 1.261 220 I HN 0.184 nan 8.210 nan 0.000 0.448 221 S N 7.409 123.120 115.700 0.019 0.000 2.422 221 S HA 0.571 5.017 4.470 -0.040 0.000 0.308 221 S C -0.161 174.457 174.600 0.030 0.000 1.097 221 S CA -0.478 57.735 58.200 0.023 0.000 1.099 221 S CB 0.875 64.087 63.200 0.020 0.000 0.976 221 S HN 0.384 nan 8.310 nan 0.000 0.471 222 I N 4.074 124.666 120.570 0.037 0.000 2.359 222 I HA 0.310 4.455 4.170 -0.040 0.000 0.284 222 I C 0.527 176.674 176.117 0.050 0.000 1.018 222 I CA -0.253 61.077 61.300 0.050 0.000 1.173 222 I CB 1.093 39.132 38.000 0.065 0.000 1.326 222 I HN 0.622 nan 8.210 nan 0.000 0.462 223 T N 2.089 116.671 114.554 0.048 0.000 2.910 223 T HA 0.537 4.863 4.350 -0.040 0.000 0.287 223 T C -0.539 174.191 174.700 0.050 0.000 1.050 223 T CA -0.829 61.297 62.100 0.044 0.000 1.011 223 T CB 2.275 71.163 68.868 0.033 0.000 1.195 223 T HN 0.490 nan 8.240 nan 0.000 0.540 224 Q N 1.164 120.990 119.800 0.044 0.000 2.891 224 Q HA 0.250 4.566 4.340 -0.040 0.000 0.242 224 Q C -2.023 173.993 176.000 0.026 0.000 0.959 224 Q CA -1.903 53.925 55.803 0.042 0.000 0.707 224 Q CB 2.028 30.794 28.738 0.048 0.000 1.283 224 Q HN 0.585 nan 8.270 nan 0.000 0.480 225 P HA -0.204 nan 4.420 nan 0.000 0.219 225 P C 0.068 177.374 177.300 0.011 0.000 1.144 225 P CA 1.400 64.510 63.100 0.017 0.000 0.806 225 P CB 0.472 32.182 31.700 0.017 0.000 0.771 226 E N -0.667 119.539 120.200 0.010 0.000 2.624 226 E HA 0.395 4.721 4.350 -0.040 0.000 0.210 226 E C 0.767 177.360 176.600 -0.011 0.000 0.997 226 E CA -0.060 56.341 56.400 0.002 0.000 0.999 226 E CB 0.419 30.122 29.700 0.005 0.000 1.040 226 E HN 0.197 nan 8.360 nan 0.000 0.469 227 G N 3.003 111.794 108.800 -0.014 0.000 2.795 227 G HA2 -0.192 3.743 3.960 -0.040 0.000 0.664 227 G HA3 -0.192 3.743 3.960 -0.040 0.000 0.664 227 G C -2.705 172.160 174.900 -0.058 0.000 1.381 227 G CA -0.841 44.232 45.100 -0.045 0.000 0.853 227 G HN 0.016 nan 8.290 nan 0.000 0.545 228 P HA 0.385 nan 4.420 nan 0.000 0.277 228 P C 0.545 177.772 177.300 -0.121 0.000 1.271 228 P CA 0.095 63.097 63.100 -0.164 0.000 0.795 228 P CB 1.107 32.489 31.700 -0.530 0.000 1.101 229 S N -0.992 114.759 115.700 0.084 0.000 2.556 229 S HA 0.169 4.614 4.470 -0.040 0.000 0.216 229 S C 0.593 175.380 174.600 0.311 0.000 0.970 229 S CA -0.104 58.208 58.200 0.185 0.000 0.912 229 S CB -0.774 62.585 63.200 0.264 0.000 0.790 229 S HN 0.531 nan 8.310 nan 0.000 0.504 230 F N 1.914 122.054 119.950 0.316 0.000 2.440 230 F HA 0.779 5.281 4.527 -0.040 0.000 0.328 230 F C 0.030 175.917 175.800 0.144 0.000 1.070 230 F CA -1.033 57.134 58.000 0.278 0.000 1.011 230 F CB 0.534 39.659 39.000 0.208 0.000 1.226 230 F HN -0.131 nan 8.300 nan 0.000 0.491 231 T N -0.056 114.678 114.554 0.300 0.000 2.841 231 T HA 0.698 5.024 4.350 -0.040 0.000 0.283 231 T C -1.098 173.753 174.700 0.251 0.000 1.000 231 T CA -0.809 61.396 62.100 0.175 0.000 0.977 231 T CB 1.294 70.240 68.868 0.129 0.000 0.979 231 T HN 0.661 nan 8.240 nan 0.000 0.446 232 V N 3.768 123.807 119.914 0.209 0.000 2.370 232 V HA 0.720 4.816 4.120 -0.040 0.000 0.283 232 V C 0.514 176.703 176.094 0.158 0.000 1.023 232 V CA -0.605 61.814 62.300 0.198 0.000 0.857 232 V CB 1.003 32.944 31.823 0.196 0.000 0.985 232 V HN 1.252 nan 8.190 nan 0.000 0.443 233 T N 0.152 114.818 114.554 0.186 0.000 2.906 233 T HA 0.678 5.003 4.350 -0.040 0.000 0.295 233 T C 0.700 175.492 174.700 0.154 0.000 1.061 233 T CA -0.089 62.102 62.100 0.151 0.000 1.000 233 T CB 1.757 70.709 68.868 0.140 0.000 1.103 233 T HN 1.718 nan 8.240 nan 0.000 0.486 234 G N 0.015 108.875 108.800 0.100 0.000 2.225 234 G HA2 0.129 4.065 3.960 -0.040 0.000 0.267 234 G HA3 0.129 4.065 3.960 -0.040 0.000 0.267 234 G C 1.342 176.302 174.900 0.100 0.000 1.024 234 G CA 0.913 46.066 45.100 0.088 0.000 0.784 234 G HN 2.413 nan 8.290 nan 0.000 0.507 235 G N -0.066 108.791 108.800 0.095 0.000 2.507 235 G HA2 -0.307 3.629 3.960 -0.040 0.000 0.240 235 G HA3 -0.307 3.629 3.960 -0.040 0.000 0.240 235 G C 0.936 175.894 174.900 0.097 0.000 1.119 235 G CA 1.374 46.526 45.100 0.087 0.000 0.664 235 G HN 2.236 nan 8.290 nan 0.000 0.516 236 N N -0.548 118.224 118.700 0.119 0.000 2.217 236 N HA 0.102 4.817 4.740 -0.040 0.000 0.239 236 N C -0.314 175.266 175.510 0.116 0.000 1.330 236 N CA 0.073 53.187 53.050 0.106 0.000 0.838 236 N CB -0.358 38.191 38.487 0.104 0.000 1.287 236 N HN 0.568 nan 8.380 nan 0.000 0.498 237 H N 1.803 120.917 119.070 0.073 0.000 2.652 237 H HA 0.299 4.831 4.556 -0.040 0.000 0.298 237 H C -0.661 174.718 175.328 0.084 0.000 1.076 237 H CA -0.291 55.798 56.048 0.069 0.000 1.360 237 H CB 0.900 30.703 29.762 0.068 0.000 1.421 237 H HN -0.006 nan 8.280 nan 0.000 0.464 238 I N 4.483 124.815 120.570 -0.397 0.000 2.392 238 I HA 0.222 4.367 4.170 -0.040 0.000 0.295 238 I C 0.256 176.277 176.117 -0.158 0.000 0.985 238 I CA -0.591 60.613 61.300 -0.161 0.000 1.221 238 I CB 1.533 39.456 38.000 -0.130 0.000 1.366 238 I HN 0.546 nan 8.210 nan 0.000 0.467 239 E N 5.356 125.619 120.200 0.105 0.000 2.255 239 E HA 0.292 4.618 4.350 -0.040 0.000 0.256 239 E C -1.727 175.066 176.600 0.322 0.000 0.887 239 E CA -0.386 56.121 56.400 0.177 0.000 0.782 239 E CB 2.726 32.538 29.700 0.187 0.000 1.214 239 E HN 0.655 nan 8.360 nan 0.000 0.417 240 W N 3.667 125.041 121.300 0.123 0.000 3.211 240 W HA 0.167 4.803 4.660 -0.040 0.000 0.335 240 W C -0.346 176.280 176.519 0.179 0.000 1.113 240 W CA -0.461 56.982 57.345 0.163 0.000 1.235 240 W CB 0.998 30.552 29.460 0.156 0.000 1.365 240 W HN 0.287 nan 8.180 nan 0.000 0.476 241 E N 5.834 125.683 120.200 -0.586 0.000 2.103 241 E HA -0.326 4.000 4.350 -0.040 0.000 0.186 241 E C 0.516 176.817 176.600 -0.497 0.000 1.392 241 E CA 1.911 57.886 56.400 -0.707 0.000 0.691 241 E CB -0.969 27.898 29.700 -1.389 0.000 1.068 241 E HN 0.882 nan 8.360 nan 0.000 0.328 242 K N -3.679 116.461 120.400 -0.432 0.000 3.609 242 K HA -0.244 4.051 4.320 -0.040 0.000 0.277 242 K C 0.179 176.318 176.600 -0.768 0.000 1.196 242 K CA 1.726 57.587 56.287 -0.711 0.000 1.022 242 K CB -1.358 30.419 32.500 -1.206 0.000 1.292 242 K HN 0.271 nan 8.250 nan 0.000 0.484 243 W N 1.531 122.608 121.300 -0.370 0.000 2.237 243 W HA 0.429 5.066 4.660 -0.040 0.000 0.335 243 W C 0.636 177.128 176.519 -0.046 0.000 1.230 243 W CA -0.046 57.231 57.345 -0.113 0.000 1.253 243 W CB 1.405 30.957 29.460 0.152 0.000 1.129 243 W HN -0.042 nan 8.180 nan 0.000 0.590 244 S N 3.573 119.430 115.700 0.262 0.000 2.619 244 S HA 0.792 5.238 4.470 -0.040 0.000 0.280 244 S C -1.131 173.487 174.600 0.029 0.000 1.150 244 S CA -0.743 57.516 58.200 0.098 0.000 0.978 244 S CB 0.012 63.287 63.200 0.125 0.000 1.041 244 S HN 0.515 nan 8.310 nan 0.000 0.485 245 L N 1.203 122.316 121.223 -0.183 0.000 2.940 245 L HA 0.777 5.093 4.340 -0.040 0.000 0.270 245 L C -2.048 174.669 176.870 -0.255 0.000 1.030 245 L CA -1.062 53.676 54.840 -0.170 0.000 0.928 245 L CB 1.780 43.753 42.059 -0.142 0.000 1.506 245 L HN 0.367 nan 8.230 nan 0.000 0.405 246 D N 1.441 121.772 120.400 -0.115 0.000 2.502 246 D HA 0.438 5.053 4.640 -0.040 0.000 0.249 246 D C -0.730 175.576 176.300 0.009 0.000 1.092 246 D CA -0.284 53.718 54.000 0.002 0.000 0.839 246 D CB 3.190 44.068 40.800 0.130 0.000 1.264 246 D HN 0.363 nan 8.370 nan 0.000 0.511 247 V N 2.309 122.224 119.914 0.001 0.000 2.356 247 V HA 0.418 4.513 4.120 -0.040 0.000 0.258 247 V C 1.057 177.200 176.094 0.081 0.000 1.065 247 V CA -0.336 61.953 62.300 -0.018 0.000 0.935 247 V CB 0.826 32.626 31.823 -0.040 0.000 1.061 247 V HN 0.587 nan 8.190 nan 0.000 0.484 248 G N 3.152 112.017 108.800 0.107 0.000 2.511 248 G HA2 0.686 4.621 3.960 -0.040 0.000 0.316 248 G HA3 0.686 4.621 3.960 -0.040 0.000 0.316 248 G C -1.429 173.554 174.900 0.139 0.000 1.210 248 G CA -0.441 44.772 45.100 0.189 0.000 0.969 248 G HN 0.486 nan 8.290 nan 0.000 0.492 249 F N -0.380 119.552 119.950 -0.030 0.000 2.596 249 F HA 0.514 5.016 4.527 -0.041 0.000 0.311 249 F C -1.569 174.188 175.800 -0.071 0.000 1.116 249 F CA -0.890 57.048 58.000 -0.104 0.000 0.957 249 F CB 2.654 41.584 39.000 -0.116 0.000 1.250 249 F HN 0.524 nan 8.300 nan 0.000 0.444 250 D N 3.638 123.654 120.400 -0.640 0.000 2.780 250 D HA 0.314 4.929 4.640 -0.040 0.000 0.242 250 D C 0.163 176.148 176.300 -0.524 0.000 1.135 250 D CA -0.518 53.281 54.000 -0.335 0.000 0.859 250 D CB 2.479 43.184 40.800 -0.158 0.000 1.530 250 D HN 0.371 nan 8.370 nan 0.000 0.493 251 V N 4.402 124.218 119.914 -0.163 0.000 2.392 251 V HA -0.166 3.930 4.120 -0.040 0.000 0.249 251 V C 2.156 178.202 176.094 -0.080 0.000 1.059 251 V CA 2.350 64.603 62.300 -0.079 0.000 1.051 251 V CB -0.305 31.509 31.823 -0.015 0.000 0.658 251 V HN 0.648 nan 8.190 nan 0.000 0.455 252 R N -0.646 119.873 120.500 0.032 0.000 2.055 252 R HA -0.082 4.233 4.340 -0.040 0.000 0.226 252 R C 2.254 178.515 176.300 -0.066 0.000 1.135 252 R CA 1.843 57.950 56.100 0.012 0.000 0.959 252 R CB -0.219 30.064 30.300 -0.028 0.000 0.854 252 R HN 0.613 nan 8.270 nan 0.000 0.431 253 E N -0.746 119.390 120.200 -0.107 0.000 2.170 253 E HA 0.122 4.448 4.350 -0.040 0.000 0.191 253 E C 0.747 177.168 176.600 -0.297 0.000 0.981 253 E CA 0.486 56.822 56.400 -0.107 0.000 0.830 253 E CB 0.444 30.125 29.700 -0.032 0.000 0.775 253 E HN 0.558 nan 8.360 nan 0.000 0.470 254 G N 0.520 108.875 108.800 -0.741 0.000 2.475 254 G HA2 -0.263 3.672 3.960 -0.040 0.000 0.223 254 G HA3 -0.263 3.672 3.960 -0.040 0.000 0.223 254 G C -0.324 173.849 174.900 -1.211 0.000 1.201 254 G CA -0.384 43.893 45.100 -1.372 0.000 0.962 254 G HN 0.094 nan 8.290 nan 0.000 0.586 255 V N 0.740 120.075 119.914 -0.964 0.000 2.572 255 V HA 0.454 4.549 4.120 -0.040 0.000 0.291 255 V C 0.728 176.733 176.094 -0.148 0.000 1.039 255 V CA 0.019 62.162 62.300 -0.261 0.000 1.055 255 V CB 1.027 32.915 31.823 0.108 0.000 0.969 255 V HN 0.866 nan 8.190 nan 0.000 0.482 256 V N 6.676 126.450 119.914 -0.234 0.000 2.604 256 V HA 0.482 4.578 4.120 -0.040 0.000 0.305 256 V C -0.222 175.549 176.094 -0.538 0.000 1.043 256 V CA -0.632 61.446 62.300 -0.372 0.000 0.888 256 V CB 1.956 33.577 31.823 -0.335 0.000 0.995 256 V HN 0.609 nan 8.190 nan 0.000 0.429 257 L N 4.911 125.699 121.223 -0.725 0.000 2.295 257 L HA 0.623 4.939 4.340 -0.040 0.000 0.285 257 L C -0.507 175.971 176.870 -0.653 0.000 1.035 257 L CA -0.595 53.850 54.840 -0.657 0.000 0.806 257 L CB 1.161 42.755 42.059 -0.776 0.000 1.214 257 L HN 0.605 nan 8.230 nan 0.000 0.426 258 H N 3.597 122.512 119.070 -0.257 0.000 2.569 258 H HA 0.277 4.809 4.556 -0.040 0.000 0.357 258 H C -0.234 174.899 175.328 -0.325 0.000 1.153 258 H CA -0.723 55.154 56.048 -0.285 0.000 1.193 258 H CB 1.851 31.427 29.762 -0.310 0.000 1.602 258 H HN 0.547 nan 8.280 nan 0.000 0.523 259 N N 1.591 120.166 118.700 -0.207 0.000 2.688 259 N HA -0.207 4.509 4.740 -0.040 0.000 0.258 259 N C -0.373 175.070 175.510 -0.112 0.000 1.016 259 N CA 0.499 53.429 53.050 -0.201 0.000 0.747 259 N CB -1.283 37.034 38.487 -0.283 0.000 0.895 259 N HN 0.539 nan 8.380 nan 0.000 0.543 260 I N 0.547 121.055 120.570 -0.103 0.000 2.436 260 I HA 0.286 4.432 4.170 -0.040 0.000 0.289 260 I C 0.993 177.152 176.117 0.069 0.000 1.083 260 I CA 0.132 61.431 61.300 -0.001 0.000 1.372 260 I CB 0.630 38.610 38.000 -0.033 0.000 1.408 260 I HN 0.383 nan 8.210 nan 0.000 0.516 261 A N 6.772 129.695 122.820 0.170 0.000 2.527 261 A HA 0.806 5.102 4.320 -0.040 0.000 0.293 261 A C -1.584 176.126 177.584 0.210 0.000 1.117 261 A CA -0.444 51.684 52.037 0.151 0.000 0.723 261 A CB 1.550 20.598 19.000 0.080 0.000 1.313 261 A HN 0.507 nan 8.150 nan 0.000 0.411 262 F N 0.575 120.515 119.950 -0.017 0.000 2.539 262 F HA 0.524 5.027 4.527 -0.041 0.000 0.318 262 F C 0.264 176.071 175.800 0.011 0.000 1.135 262 F CA -0.468 57.457 58.000 -0.124 0.000 0.915 262 F CB 1.865 40.730 39.000 -0.226 0.000 1.176 262 F HN 0.590 nan 8.300 nan 0.000 0.440 263 R N 3.606 124.018 120.500 -0.147 0.000 2.441 263 R HA 0.080 4.395 4.340 -0.040 0.000 0.300 263 R C -0.864 175.533 176.300 0.161 0.000 1.284 263 R CA -0.200 55.895 56.100 -0.008 0.000 1.069 263 R CB -0.211 30.023 30.300 -0.110 0.000 1.087 263 R HN 0.439 nan 8.270 nan 0.000 0.519 264 D N 2.721 123.312 120.400 0.317 0.000 2.483 264 D HA 0.152 4.767 4.640 -0.040 0.000 0.220 264 D C 1.227 177.621 176.300 0.156 0.000 1.173 264 D CA 0.769 54.975 54.000 0.343 0.000 0.964 264 D CB 0.376 41.377 40.800 0.335 0.000 1.046 264 D HN 0.667 nan 8.370 nan 0.000 0.517 265 G N 4.878 113.743 108.800 0.110 0.000 2.675 265 G HA2 -0.408 3.527 3.960 -0.040 0.000 0.312 265 G HA3 -0.408 3.527 3.960 -0.040 0.000 0.312 265 G C 0.946 175.867 174.900 0.036 0.000 1.186 265 G CA 0.635 45.768 45.100 0.055 0.000 0.965 265 G HN 0.560 nan 8.290 nan 0.000 0.548 266 D N 1.772 122.190 120.400 0.029 0.000 2.213 266 D HA 0.045 4.661 4.640 -0.040 0.000 0.205 266 D C 1.336 177.649 176.300 0.021 0.000 0.961 266 D CA 0.897 54.908 54.000 0.018 0.000 0.853 266 D CB -0.080 40.726 40.800 0.011 0.000 0.967 266 D HN 0.667 nan 8.370 nan 0.000 0.496 267 R N 0.658 121.175 120.500 0.028 0.000 2.404 267 R HA 0.442 4.757 4.340 -0.040 0.000 0.291 267 R C -0.070 176.261 176.300 0.052 0.000 1.025 267 R CA -0.725 55.391 56.100 0.027 0.000 0.991 267 R CB 1.650 31.956 30.300 0.009 0.000 1.053 267 R HN 0.071 nan 8.270 nan 0.000 0.479 268 L N 4.195 125.444 121.223 0.044 0.000 2.255 268 L HA 0.358 4.673 4.340 -0.040 0.000 0.289 268 L C -0.683 176.227 176.870 0.067 0.000 1.046 268 L CA -0.251 54.624 54.840 0.059 0.000 0.816 268 L CB 0.379 42.463 42.059 0.042 0.000 1.197 268 L HN 0.659 nan 8.230 nan 0.000 0.427 269 R N 6.917 127.491 120.500 0.123 0.000 2.265 269 R HA 0.472 4.788 4.340 -0.040 0.000 0.319 269 R C -2.348 174.040 176.300 0.147 0.000 1.006 269 R CA -1.745 54.432 56.100 0.129 0.000 0.880 269 R CB 1.087 31.480 30.300 0.157 0.000 1.077 269 R HN 0.515 nan 8.270 nan 0.000 0.454 270 P HA 0.129 nan 4.420 nan 0.000 0.278 270 P C -0.193 177.080 177.300 -0.044 0.000 1.238 270 P CA -0.059 63.022 63.100 -0.031 0.000 0.794 270 P CB 1.304 32.911 31.700 -0.155 0.000 0.955 271 I N 1.135 121.614 120.570 -0.152 0.000 3.650 271 I HA 0.245 4.391 4.170 -0.040 0.000 0.261 271 I C 0.721 176.667 176.117 -0.285 0.000 1.154 271 I CA 0.252 61.348 61.300 -0.340 0.000 1.418 271 I CB 0.345 38.016 38.000 -0.549 0.000 1.539 271 I HN 0.144 nan 8.210 nan 0.000 0.449 272 I N 1.220 121.662 120.570 -0.214 0.000 2.466 272 I HA 0.171 4.316 4.170 -0.040 0.000 0.289 272 I C 0.640 176.654 176.117 -0.171 0.000 1.026 272 I CA -0.247 60.942 61.300 -0.185 0.000 1.078 272 I CB 2.093 39.994 38.000 -0.165 0.000 1.249 272 I HN 0.117 nan 8.210 nan 0.000 0.429 273 N N 5.269 123.881 118.700 -0.148 0.000 2.135 273 N HA 0.031 4.747 4.740 -0.040 0.000 0.186 273 N C 0.553 176.006 175.510 -0.095 0.000 1.027 273 N CA 0.980 53.973 53.050 -0.094 0.000 0.849 273 N CB 0.514 39.042 38.487 0.069 0.000 1.002 273 N HN 0.521 nan 8.380 nan 0.000 0.425 274 R N 0.030 120.453 120.500 -0.129 0.000 2.533 274 R HA 0.489 4.805 4.340 -0.040 0.000 0.288 274 R C -1.955 174.182 176.300 -0.271 0.000 1.039 274 R CA -0.495 55.483 56.100 -0.202 0.000 0.909 274 R CB 1.970 32.205 30.300 -0.109 0.000 1.195 274 R HN 0.094 nan 8.270 nan 0.000 0.438 275 A N 2.319 124.898 122.820 -0.401 0.000 2.330 275 A HA 0.704 5.000 4.320 -0.040 0.000 0.313 275 A C -0.934 176.400 177.584 -0.416 0.000 1.124 275 A CA -0.476 51.314 52.037 -0.411 0.000 0.774 275 A CB 1.417 20.032 19.000 -0.642 0.000 1.198 275 A HN 0.789 nan 8.150 nan 0.000 0.465 276 S N 1.414 117.052 115.700 -0.103 0.000 2.615 276 S HA 0.672 5.118 4.470 -0.040 0.000 0.269 276 S C -1.123 173.600 174.600 0.205 0.000 1.161 276 S CA -0.721 57.514 58.200 0.058 0.000 0.817 276 S CB 0.904 64.070 63.200 -0.057 0.000 1.131 276 S HN 0.527 nan 8.310 nan 0.000 0.467 277 I N 2.253 122.978 120.570 0.257 0.000 2.287 277 I HA 0.395 4.541 4.170 -0.040 0.000 0.290 277 I C 1.354 177.583 176.117 0.187 0.000 1.069 277 I CA -0.506 60.918 61.300 0.206 0.000 1.237 277 I CB 0.282 38.473 38.000 0.317 0.000 1.418 277 I HN 0.992 nan 8.210 nan 0.000 0.481 278 A N 5.154 128.052 122.820 0.129 0.000 2.119 278 A HA 0.056 4.351 4.320 -0.040 0.000 0.216 278 A C 0.799 178.452 177.584 0.115 0.000 1.152 278 A CA 1.011 53.148 52.037 0.165 0.000 0.708 278 A CB 0.090 19.209 19.000 0.198 0.000 0.805 278 A HN 0.673 nan 8.150 nan 0.000 0.460 279 E N -2.122 118.080 120.200 0.004 0.000 2.416 279 E HA 0.595 4.921 4.350 -0.040 0.000 0.280 279 E C -1.488 175.081 176.600 -0.052 0.000 1.055 279 E CA -0.382 55.974 56.400 -0.074 0.000 0.825 279 E CB 0.840 30.334 29.700 -0.344 0.000 1.312 279 E HN 0.053 nan 8.360 nan 0.000 0.452 280 M N 2.893 122.464 119.600 -0.048 0.000 2.221 280 M HA 0.361 4.817 4.480 -0.040 0.000 0.259 280 M C -1.735 174.429 176.300 -0.227 0.000 1.001 280 M CA -0.700 54.457 55.300 -0.238 0.000 1.009 280 M CB 1.650 34.123 32.600 -0.211 0.000 1.939 280 M HN 0.389 nan 8.290 nan 0.000 0.477 281 V N 4.137 123.872 119.914 -0.299 0.000 2.581 281 V HA 0.603 4.699 4.120 -0.040 0.000 0.303 281 V C -0.318 175.516 176.094 -0.434 0.000 1.041 281 V CA -0.688 61.354 62.300 -0.430 0.000 0.907 281 V CB 2.148 33.680 31.823 -0.485 0.000 0.994 281 V HN 0.588 nan 8.190 nan 0.000 0.442 282 V N 5.863 125.554 119.914 -0.371 0.000 2.383 282 V HA 0.310 4.406 4.120 -0.040 0.000 0.264 282 V C -2.410 173.561 176.094 -0.206 0.000 1.001 282 V CA -1.275 60.798 62.300 -0.378 0.000 0.828 282 V CB 1.493 33.031 31.823 -0.474 0.000 1.069 282 V HN 0.744 nan 8.190 nan 0.000 0.451 283 P HA 0.333 nan 4.420 nan 0.000 0.285 283 P C -1.307 175.871 177.300 -0.203 0.000 1.259 283 P CA -0.273 62.749 63.100 -0.130 0.000 0.794 283 P CB 1.142 32.748 31.700 -0.157 0.000 0.940 284 Y N 0.487 120.745 120.300 -0.070 0.000 2.361 284 Y HA 0.470 4.997 4.550 -0.039 0.000 0.332 284 Y C 1.692 177.578 175.900 -0.025 0.000 1.101 284 Y CA 0.184 58.261 58.100 -0.038 0.000 1.137 284 Y CB 1.512 39.904 38.460 -0.114 0.000 1.207 284 Y HN 0.474 nan 8.280 nan 0.000 0.463 285 G N 1.268 110.131 108.800 0.105 0.000 3.707 285 G HA2 0.005 3.940 3.960 -0.040 0.000 0.286 285 G HA3 0.005 3.940 3.960 -0.040 0.000 0.286 285 G C -0.674 174.286 174.900 0.100 0.000 1.112 285 G CA -0.177 44.984 45.100 0.101 0.000 0.861 285 G HN 0.504 nan 8.290 nan 0.000 0.534 286 D N 1.210 121.658 120.400 0.080 0.000 2.313 286 D HA 0.248 4.864 4.640 -0.040 0.000 0.239 286 D C -1.283 175.014 176.300 -0.005 0.000 1.142 286 D CA -2.386 51.623 54.000 0.015 0.000 0.847 286 D CB 2.279 43.082 40.800 0.004 0.000 1.082 286 D HN 0.043 nan 8.370 nan 0.000 0.480 287 P HA -0.010 nan 4.420 nan 0.000 0.249 287 P C 0.236 177.538 177.300 0.003 0.000 1.241 287 P CA -0.094 63.010 63.100 0.008 0.000 0.781 287 P CB 0.114 31.828 31.700 0.023 0.000 1.088 288 S N 2.614 118.306 115.700 -0.013 0.000 2.516 288 S HA 0.135 4.581 4.470 -0.040 0.000 0.282 288 S C -0.930 173.681 174.600 0.019 0.000 1.286 288 S CA -1.246 56.955 58.200 0.002 0.000 1.066 288 S CB 0.282 63.463 63.200 -0.031 0.000 0.884 288 S HN 0.019 nan 8.310 nan 0.000 0.491 289 P HA -0.119 nan 4.420 nan 0.000 0.223 289 P C 1.314 178.761 177.300 0.245 0.000 1.144 289 P CA 0.733 63.919 63.100 0.143 0.000 0.783 289 P CB -0.036 31.749 31.700 0.141 0.000 0.771 290 I N -0.450 120.225 120.570 0.176 0.000 2.546 290 I HA -0.070 4.075 4.170 -0.040 0.000 0.255 290 I C 2.073 178.342 176.117 0.253 0.000 1.163 290 I CA 1.204 62.653 61.300 0.248 0.000 1.457 290 I CB -0.890 37.169 38.000 0.099 0.000 1.092 290 I HN 0.030 nan 8.210 nan 0.000 0.434 291 R N -0.742 119.706 120.500 -0.087 0.000 2.539 291 R HA 0.096 4.411 4.340 -0.040 0.000 0.342 291 R C 1.739 177.605 176.300 -0.723 0.000 0.941 291 R CA 0.388 56.153 56.100 -0.559 0.000 1.146 291 R CB 0.353 30.453 30.300 -0.333 0.000 1.541 291 R HN 0.232 nan 8.270 nan 0.000 0.525 292 S N 0.528 115.991 115.700 -0.395 0.000 2.595 292 S HA -0.075 4.371 4.470 -0.040 0.000 0.235 292 S C 1.192 175.594 174.600 -0.329 0.000 0.974 292 S CA 0.115 58.160 58.200 -0.258 0.000 0.942 292 S CB -0.351 62.798 63.200 -0.086 0.000 0.766 292 S HN 0.591 nan 8.310 nan 0.000 0.536 293 W N 0.237 121.378 121.300 -0.264 0.000 3.103 293 W HA 0.404 5.037 4.660 -0.045 0.000 0.325 293 W C 0.356 176.875 176.519 0.001 0.000 1.170 293 W CA -0.689 56.382 57.345 -0.456 0.000 1.712 293 W CB -0.538 28.506 29.460 -0.695 0.000 1.068 293 W HN 0.265 nan 8.180 nan 0.000 0.592 294 Q N 3.035 122.300 119.800 -0.891 0.000 2.286 294 Q HA 0.113 4.429 4.340 -0.040 0.000 0.265 294 Q C -0.776 175.159 176.000 -0.109 0.000 1.080 294 Q CA 0.733 56.076 55.803 -0.767 0.000 0.906 294 Q CB 0.150 28.142 28.738 -1.243 0.000 1.227 294 Q HN 0.026 nan 8.270 nan 0.000 0.409 295 N N 4.709 123.451 118.700 0.071 0.000 2.572 295 N HA 0.125 4.841 4.740 -0.040 0.000 0.287 295 N C -1.855 173.784 175.510 0.215 0.000 1.136 295 N CA -0.430 52.724 53.050 0.175 0.000 0.900 295 N CB 0.994 39.603 38.487 0.205 0.000 1.484 295 N HN 0.394 nan 8.380 nan 0.000 0.526 296 Y N 0.824 121.110 120.300 -0.024 0.000 2.313 296 Y HA 0.406 4.930 4.550 -0.042 0.000 0.332 296 Y C 0.242 176.078 175.900 -0.106 0.000 1.071 296 Y CA -0.564 57.532 58.100 -0.007 0.000 1.169 296 Y CB 0.532 38.840 38.460 -0.253 0.000 1.192 296 Y HN 0.353 nan 8.280 nan 0.000 0.487 297 F N 2.586 122.695 119.950 0.264 0.000 2.334 297 F HA 0.261 4.763 4.527 -0.041 0.000 0.343 297 F C 0.626 176.546 175.800 0.200 0.000 1.136 297 F CA -0.931 57.184 58.000 0.190 0.000 1.237 297 F CB 0.326 39.445 39.000 0.197 0.000 1.525 297 F HN 0.511 nan 8.300 nan 0.000 0.528 298 D N -0.159 120.325 120.400 0.139 0.000 2.190 298 D HA -0.165 4.451 4.640 -0.040 0.000 0.200 298 D C 1.967 178.392 176.300 0.209 0.000 0.992 298 D CA 1.746 55.799 54.000 0.087 0.000 0.854 298 D CB 0.098 40.881 40.800 -0.027 0.000 0.936 298 D HN 0.359 nan 8.370 nan 0.000 0.462 299 T N -0.954 113.702 114.554 0.169 0.000 2.818 299 T HA 0.066 4.391 4.350 -0.040 0.000 0.246 299 T C 2.064 176.825 174.700 0.101 0.000 1.036 299 T CA 0.970 63.144 62.100 0.124 0.000 1.160 299 T CB -0.823 68.093 68.868 0.081 0.000 0.869 299 T HN 0.220 nan 8.240 nan 0.000 0.419 300 G N 1.539 110.400 108.800 0.100 0.000 2.514 300 G HA2 -0.234 3.701 3.960 -0.040 0.000 0.217 300 G HA3 -0.234 3.701 3.960 -0.040 0.000 0.217 300 G C 1.452 176.411 174.900 0.098 0.000 1.198 300 G CA 1.021 46.126 45.100 0.009 0.000 0.780 300 G HN 0.530 nan 8.290 nan 0.000 0.565 301 E N -0.819 119.556 120.200 0.291 0.000 2.086 301 E HA 0.007 4.333 4.350 -0.040 0.000 0.190 301 E C 1.985 178.801 176.600 0.360 0.000 0.975 301 E CA 0.793 57.376 56.400 0.305 0.000 0.813 301 E CB -0.032 29.913 29.700 0.409 0.000 0.768 301 E HN 0.605 nan 8.360 nan 0.000 0.457 302 Y N -0.155 120.332 120.300 0.312 0.000 2.449 302 Y HA 0.319 4.844 4.550 -0.042 0.000 0.254 302 Y C -0.029 176.106 175.900 0.391 0.000 1.140 302 Y CA -0.416 57.942 58.100 0.431 0.000 1.272 302 Y CB 0.114 38.836 38.460 0.436 0.000 1.114 302 Y HN -0.138 nan 8.280 nan 0.000 0.525 303 L N 0.659 122.109 121.223 0.378 0.000 3.177 303 L HA -0.223 4.093 4.340 -0.040 0.000 0.640 303 L C 1.283 178.257 176.870 0.174 0.000 1.018 303 L CA 0.173 55.132 54.840 0.198 0.000 1.288 303 L CB -1.389 40.749 42.059 0.131 0.000 1.594 303 L HN 0.194 nan 8.230 nan 0.000 0.796 304 V N 0.567 120.577 119.914 0.160 0.000 2.287 304 V HA -0.139 3.957 4.120 -0.040 0.000 0.248 304 V C 2.210 178.365 176.094 0.101 0.000 1.053 304 V CA 2.250 64.654 62.300 0.173 0.000 1.027 304 V CB -0.688 31.204 31.823 0.116 0.000 0.646 304 V HN 0.868 nan 8.190 nan 0.000 0.447 305 G N -0.600 108.160 108.800 -0.066 0.000 2.462 305 G HA2 -0.329 3.606 3.960 -0.040 0.000 0.220 305 G HA3 -0.329 3.606 3.960 -0.040 0.000 0.220 305 G C 1.574 176.531 174.900 0.095 0.000 1.121 305 G CA 0.965 46.006 45.100 -0.098 0.000 0.758 305 G HN 0.703 nan 8.290 nan 0.000 0.559 306 Q N -0.597 119.154 119.800 -0.082 0.000 2.135 306 Q HA -0.140 4.175 4.340 -0.040 0.000 0.204 306 Q C 1.091 176.882 176.000 -0.348 0.000 0.981 306 Q CA 1.176 56.811 55.803 -0.280 0.000 0.856 306 Q CB -0.188 28.219 28.738 -0.553 0.000 0.902 306 Q HN 0.599 nan 8.270 nan 0.000 0.425 307 Y N 0.065 120.488 120.300 0.205 0.000 2.645 307 Y HA 0.453 4.980 4.550 -0.039 0.000 0.307 307 Y C 0.365 176.397 175.900 0.219 0.000 1.151 307 Y CA -0.356 57.863 58.100 0.198 0.000 1.291 307 Y CB -0.420 38.156 38.460 0.195 0.000 1.135 307 Y HN 0.106 nan 8.280 nan 0.000 0.523 308 A N 0.892 123.894 122.820 0.303 0.000 2.483 308 A HA 0.205 4.500 4.320 -0.040 0.000 0.238 308 A C 0.331 178.068 177.584 0.255 0.000 1.070 308 A CA -0.356 51.880 52.037 0.331 0.000 0.770 308 A CB 0.161 19.363 19.000 0.337 0.000 1.008 308 A HN 0.373 nan 8.150 nan 0.000 0.497 309 N N 0.308 119.167 118.700 0.265 0.000 2.482 309 N HA 0.369 5.085 4.740 -0.040 0.000 0.279 309 N C -0.702 174.885 175.510 0.129 0.000 1.182 309 N CA -0.360 52.801 53.050 0.184 0.000 0.969 309 N CB 1.175 39.769 38.487 0.178 0.000 1.201 309 N HN 0.479 nan 8.380 nan 0.000 0.523 310 S N 0.863 116.604 115.700 0.068 0.000 2.411 310 S HA 0.308 4.753 4.470 -0.040 0.000 0.294 310 S C 0.405 175.007 174.600 0.005 0.000 1.115 310 S CA -0.661 57.545 58.200 0.010 0.000 1.071 310 S CB -0.130 63.054 63.200 -0.026 0.000 0.967 310 S HN 0.245 nan 8.310 nan 0.000 0.488 311 L N 4.079 125.324 121.223 0.036 0.000 2.530 311 L HA 0.134 4.450 4.340 -0.040 0.000 0.273 311 L C 0.521 177.387 176.870 -0.006 0.000 1.141 311 L CA -0.147 54.748 54.840 0.092 0.000 0.905 311 L CB 0.015 42.247 42.059 0.289 0.000 1.202 311 L HN 0.461 nan 8.230 nan 0.000 0.473 312 E N 3.713 123.914 120.200 0.002 0.000 2.223 312 E HA 0.147 4.473 4.350 -0.040 0.000 0.282 312 E C -0.281 176.352 176.600 0.055 0.000 1.046 312 E CA -0.891 55.498 56.400 -0.017 0.000 0.857 312 E CB 1.726 31.414 29.700 -0.021 0.000 1.055 312 E HN 0.262 nan 8.360 nan 0.000 0.409 313 L N 2.631 123.902 121.223 0.081 0.000 2.513 313 L HA 0.177 4.492 4.340 -0.040 0.000 0.272 313 L C 1.321 178.229 176.870 0.064 0.000 1.187 313 L CA 1.764 56.688 54.840 0.141 0.000 0.895 313 L CB -0.143 42.020 42.059 0.172 0.000 1.147 313 L HN 0.806 nan 8.230 nan 0.000 0.483 314 G N 2.309 111.139 108.800 0.050 0.000 2.308 314 G HA2 -0.318 3.618 3.960 -0.040 0.000 0.221 314 G HA3 -0.318 3.618 3.960 -0.040 0.000 0.221 314 G C 0.949 175.858 174.900 0.014 0.000 1.032 314 G CA 0.221 45.336 45.100 0.026 0.000 0.623 314 G HN 0.738 nan 8.290 nan 0.000 0.506 315 C N 0.366 119.674 119.300 0.012 0.000 2.684 315 C HA 0.279 4.714 4.460 -0.040 0.000 0.283 315 C C 2.310 177.292 174.990 -0.014 0.000 1.346 315 C CA 1.587 60.601 59.018 -0.008 0.000 1.707 315 C CB -0.707 27.022 27.740 -0.018 0.000 2.137 315 C HN 0.588 nan 8.230 nan 0.000 0.544 316 D N -0.507 119.893 120.400 -0.001 0.000 2.216 316 D HA 0.046 4.662 4.640 -0.040 0.000 0.208 316 D C 0.166 176.499 176.300 0.055 0.000 0.960 316 D CA 1.007 55.010 54.000 0.006 0.000 0.861 316 D CB 0.155 40.962 40.800 0.013 0.000 0.985 316 D HN 0.390 nan 8.370 nan 0.000 0.493 317 c N 1.792 120.423 118.600 0.051 0.000 2.322 317 c HA 0.522 5.068 4.570 -0.040 0.000 0.324 317 c C -0.427 173.624 174.090 -0.065 0.000 1.249 317 c CA -0.962 55.346 56.329 -0.036 0.000 1.453 317 c CB 0.876 43.355 42.510 -0.051 0.000 2.145 317 c HN 0.192 nan 8.230 nan 0.000 0.466 318 L N 4.357 125.517 121.223 -0.105 0.000 2.322 318 L HA 0.953 5.269 4.340 -0.040 0.000 0.281 318 L C 0.402 177.232 176.870 -0.067 0.000 1.014 318 L CA 1.489 56.298 54.840 -0.052 0.000 0.815 318 L CB 0.979 43.037 42.059 -0.003 0.000 1.247 318 L HN 1.058 nan 8.230 nan 0.000 0.421 319 G N 3.426 112.214 108.800 -0.020 0.000 2.297 319 G HA2 -0.109 3.827 3.960 -0.040 0.000 0.209 319 G HA3 -0.109 3.827 3.960 -0.040 0.000 0.209 319 G C -1.301 173.611 174.900 0.020 0.000 1.267 319 G CA -0.318 44.794 45.100 0.021 0.000 1.127 319 G HN 0.662 nan 8.290 nan 0.000 0.498 320 D N 1.491 121.927 120.400 0.060 0.000 2.411 320 D HA 0.437 5.053 4.640 -0.040 0.000 0.225 320 D C 0.234 176.575 176.300 0.067 0.000 1.156 320 D CA -0.171 53.863 54.000 0.056 0.000 0.874 320 D CB 0.117 40.954 40.800 0.061 0.000 1.034 320 D HN 0.359 nan 8.370 nan 0.000 0.502 321 I N 2.338 122.896 120.570 -0.021 0.000 2.437 321 I HA 0.249 4.395 4.170 -0.040 0.000 0.298 321 I C 0.653 176.676 176.117 -0.157 0.000 0.984 321 I CA -0.512 60.696 61.300 -0.154 0.000 1.214 321 I CB 1.669 39.395 38.000 -0.456 0.000 1.365 321 I HN 0.125 nan 8.210 nan 0.000 0.469 322 T N 5.835 120.322 114.554 -0.112 0.000 2.786 322 T HA 0.543 4.868 4.350 -0.040 0.000 0.283 322 T C -0.680 173.927 174.700 -0.156 0.000 0.992 322 T CA -0.314 61.788 62.100 0.003 0.000 0.954 322 T CB 0.648 69.691 68.868 0.292 0.000 0.934 322 T HN 0.175 nan 8.240 nan 0.000 0.440 323 Y N 1.979 122.332 120.300 0.089 0.000 2.419 323 Y HA 0.679 5.204 4.550 -0.040 0.000 0.328 323 Y C 0.204 176.126 175.900 0.036 0.000 1.162 323 Y CA -1.278 56.853 58.100 0.052 0.000 1.174 323 Y CB 1.117 39.596 38.460 0.032 0.000 1.228 323 Y HN 0.326 nan 8.280 nan 0.000 0.473 324 L N 1.320 122.652 121.223 0.182 0.000 2.362 324 L HA 0.510 4.826 4.340 -0.040 0.000 0.271 324 L C -0.664 176.218 176.870 0.019 0.000 1.002 324 L CA -0.716 54.171 54.840 0.078 0.000 0.818 324 L CB 2.113 44.193 42.059 0.035 0.000 1.298 324 L HN 0.554 nan 8.230 nan 0.000 0.420 325 S N 3.325 119.009 115.700 -0.027 0.000 2.426 325 S HA 0.333 4.779 4.470 -0.040 0.000 0.236 325 S C -2.247 172.262 174.600 -0.151 0.000 1.368 325 S CA -1.042 57.104 58.200 -0.090 0.000 1.154 325 S CB 0.714 63.883 63.200 -0.053 0.000 1.037 325 S HN 0.405 nan 8.310 nan 0.000 0.481 326 P HA 0.220 nan 4.420 nan 0.000 0.271 326 P C -0.771 176.397 177.300 -0.220 0.000 1.244 326 P CA -0.290 62.608 63.100 -0.336 0.000 0.793 326 P CB 0.691 31.858 31.700 -0.889 0.000 0.984 327 V N 2.329 122.185 119.914 -0.097 0.000 2.588 327 V HA 0.413 4.509 4.120 -0.040 0.000 0.304 327 V C 0.616 176.721 176.094 0.018 0.000 1.042 327 V CA -0.572 61.706 62.300 -0.037 0.000 0.877 327 V CB 1.352 33.171 31.823 -0.007 0.000 0.996 327 V HN 0.497 nan 8.190 nan 0.000 0.425 328 I N 1.187 121.766 120.570 0.014 0.000 3.436 328 I HA 0.855 5.001 4.170 -0.040 0.000 0.300 328 I C -0.110 176.006 176.117 -0.003 0.000 1.131 328 I CA -0.701 60.618 61.300 0.031 0.000 1.001 328 I CB 2.229 40.260 38.000 0.051 0.000 1.305 328 I HN 0.524 nan 8.210 nan 0.000 0.494 329 S N 0.558 116.241 115.700 -0.027 0.000 2.537 329 S HA 0.451 4.897 4.470 -0.040 0.000 0.301 329 S C -0.778 173.801 174.600 -0.035 0.000 1.092 329 S CA -0.638 57.541 58.200 -0.035 0.000 1.048 329 S CB 0.935 64.097 63.200 -0.063 0.000 1.053 329 S HN 0.788 nan 8.310 nan 0.000 0.501 330 D N 2.662 123.052 120.400 -0.017 0.000 2.440 330 D HA 0.430 5.046 4.640 -0.040 0.000 0.269 330 D C 1.219 177.449 176.300 -0.118 0.000 1.249 330 D CA -0.169 53.813 54.000 -0.031 0.000 1.055 330 D CB -0.034 40.786 40.800 0.032 0.000 1.104 330 D HN 0.481 nan 8.370 nan 0.000 0.561 331 A N -1.226 121.431 122.820 -0.272 0.000 2.172 331 A HA -0.003 4.293 4.320 -0.040 0.000 0.216 331 A C 1.178 178.373 177.584 -0.648 0.000 1.154 331 A CA 0.654 52.398 52.037 -0.488 0.000 0.701 331 A CB -0.893 17.717 19.000 -0.650 0.000 0.789 331 A HN 0.451 nan 8.150 nan 0.000 0.465 332 F N -1.458 118.506 119.950 0.024 0.000 2.653 332 F HA 0.409 4.912 4.527 -0.041 0.000 0.304 332 F C 1.690 177.489 175.800 -0.001 0.000 1.092 332 F CA -0.020 57.989 58.000 0.014 0.000 1.279 332 F CB 0.099 39.107 39.000 0.013 0.000 1.044 332 F HN 0.277 nan 8.300 nan 0.000 0.564 333 G N 0.634 109.473 108.800 0.066 0.000 2.157 333 G HA2 -0.301 3.634 3.960 -0.040 0.000 0.248 333 G HA3 -0.301 3.634 3.960 -0.040 0.000 0.248 333 G C -0.070 174.844 174.900 0.022 0.000 0.979 333 G CA -0.251 44.865 45.100 0.026 0.000 0.650 333 G HN 0.426 nan 8.290 nan 0.000 0.529 334 N N 2.287 121.022 118.700 0.060 0.000 2.499 334 N HA 0.521 5.237 4.740 -0.040 0.000 0.281 334 N C -2.276 173.244 175.510 0.016 0.000 1.098 334 N CA -1.205 51.870 53.050 0.042 0.000 0.979 334 N CB 1.627 40.159 38.487 0.075 0.000 1.121 334 N HN 0.142 nan 8.380 nan 0.000 0.466 335 P HA 0.092 nan 4.420 nan 0.000 0.276 335 P C -1.069 176.233 177.300 0.003 0.000 1.235 335 P CA -0.051 63.044 63.100 -0.009 0.000 0.772 335 P CB 0.946 32.635 31.700 -0.019 0.000 0.871 336 R N 2.382 122.883 120.500 0.002 0.000 2.439 336 R HA 0.248 4.564 4.340 -0.040 0.000 0.310 336 R C -0.320 175.973 176.300 -0.012 0.000 0.955 336 R CA -0.618 55.485 56.100 0.005 0.000 0.853 336 R CB 1.291 31.601 30.300 0.016 0.000 1.171 336 R HN 0.481 nan 8.270 nan 0.000 0.449 337 E N 5.497 125.686 120.200 -0.018 0.000 2.259 337 E HA 0.129 4.455 4.350 -0.040 0.000 0.281 337 E C -0.580 175.988 176.600 -0.053 0.000 1.027 337 E CA -0.428 55.947 56.400 -0.042 0.000 0.838 337 E CB 0.855 30.535 29.700 -0.034 0.000 1.066 337 E HN 0.581 nan 8.360 nan 0.000 0.401 338 I N 5.889 126.398 120.570 -0.102 0.000 2.257 338 I HA 0.166 4.311 4.170 -0.040 0.000 0.290 338 I C 0.758 176.811 176.117 -0.107 0.000 1.137 338 I CA -0.385 60.851 61.300 -0.106 0.000 1.255 338 I CB 0.115 38.001 38.000 -0.190 0.000 1.485 338 I HN 0.385 nan 8.210 nan 0.000 0.534 339 R N 5.948 126.407 120.500 -0.070 0.000 2.504 339 R HA -0.074 4.242 4.340 -0.040 0.000 0.291 339 R C 0.283 176.529 176.300 -0.091 0.000 0.974 339 R CA 0.388 56.442 56.100 -0.076 0.000 1.077 339 R CB 0.227 30.486 30.300 -0.068 0.000 0.926 339 R HN 0.601 nan 8.270 nan 0.000 0.407 340 N N 2.289 120.933 118.700 -0.093 0.000 2.721 340 N HA -0.184 4.531 4.740 -0.040 0.000 0.249 340 N C 0.652 176.188 175.510 0.043 0.000 1.072 340 N CA 1.177 54.178 53.050 -0.082 0.000 0.710 340 N CB -1.272 36.938 38.487 -0.461 0.000 0.993 340 N HN 0.882 nan 8.380 nan 0.000 0.547 341 G N -0.922 107.874 108.800 -0.006 0.000 2.572 341 G HA2 0.178 4.114 3.960 -0.040 0.000 0.216 341 G HA3 0.178 4.114 3.960 -0.040 0.000 0.216 341 G C 0.555 175.514 174.900 0.099 0.000 1.133 341 G CA 0.244 45.349 45.100 0.008 0.000 0.791 341 G HN 0.457 nan 8.290 nan 0.000 0.538 342 I N 0.156 120.789 120.570 0.104 0.000 2.436 342 I HA 0.301 4.447 4.170 -0.040 0.000 0.289 342 I C -0.835 175.389 176.117 0.179 0.000 1.010 342 I CA -0.923 60.464 61.300 0.146 0.000 1.098 342 I CB 2.280 40.319 38.000 0.065 0.000 1.266 342 I HN -0.106 nan 8.210 nan 0.000 0.434 343 c N 8.244 126.926 118.600 0.136 0.000 2.329 343 c HA 0.754 5.300 4.570 -0.040 0.000 0.329 343 c C -0.300 173.775 174.090 -0.025 0.000 1.275 343 c CA -0.411 55.925 56.329 0.012 0.000 1.726 343 c CB 0.251 42.803 42.510 0.070 0.000 2.291 343 c HN 0.805 nan 8.230 nan 0.000 0.514 344 M N 7.747 127.287 119.600 -0.100 0.000 2.326 344 M HA 0.546 5.002 4.480 -0.040 0.000 0.292 344 M C -0.762 175.526 176.300 -0.020 0.000 1.081 344 M CA -0.196 55.013 55.300 -0.153 0.000 0.919 344 M CB 2.076 34.492 32.600 -0.307 0.000 1.634 344 M HN 0.959 nan 8.290 nan 0.000 0.451 345 H N 0.752 119.618 119.070 -0.341 0.000 2.950 345 H HA 0.475 5.007 4.556 -0.040 0.000 0.307 345 H C -2.113 173.098 175.328 -0.196 0.000 1.403 345 H CA -1.133 54.870 56.048 -0.075 0.000 1.145 345 H CB 0.893 30.661 29.762 0.011 0.000 1.844 345 H HN 0.727 nan 8.280 nan 0.000 0.515 346 E N 0.871 121.028 120.200 -0.071 0.000 2.227 346 E HA 0.547 4.873 4.350 -0.040 0.000 0.268 346 E C -0.894 175.673 176.600 -0.055 0.000 0.907 346 E CA -0.957 55.310 56.400 -0.222 0.000 0.786 346 E CB 2.872 32.609 29.700 0.062 0.000 1.191 346 E HN 0.717 nan 8.360 nan 0.000 0.411 347 E N 1.790 121.945 120.200 -0.075 0.000 2.383 347 E HA 0.250 4.576 4.350 -0.040 0.000 0.275 347 E C -1.395 175.312 176.600 0.178 0.000 0.918 347 E CA -1.025 55.424 56.400 0.082 0.000 0.764 347 E CB 1.556 31.308 29.700 0.087 0.000 1.252 347 E HN 0.513 nan 8.360 nan 0.000 0.449 348 D N 1.471 121.997 120.400 0.211 0.000 2.455 348 D HA -0.074 4.542 4.640 -0.040 0.000 0.241 348 D C -0.948 175.573 176.300 0.369 0.000 1.138 348 D CA 0.240 54.380 54.000 0.234 0.000 0.877 348 D CB 0.504 41.392 40.800 0.147 0.000 1.187 348 D HN 0.517 nan 8.370 nan 0.000 0.451 349 W N 5.902 127.242 121.300 0.067 0.000 1.340 349 W HA 0.367 5.003 4.660 -0.041 0.000 0.301 349 W C 0.400 176.944 176.519 0.042 0.000 0.834 349 W CA 0.005 57.386 57.345 0.061 0.000 2.473 349 W CB 0.128 29.675 29.460 0.144 0.000 1.837 349 W HN 0.847 nan 8.180 nan 0.000 0.528 350 G N 1.945 110.700 108.800 -0.074 0.000 2.564 350 G HA2 -0.337 3.599 3.960 -0.040 0.000 0.273 350 G HA3 -0.337 3.599 3.960 -0.040 0.000 0.273 350 G C -0.348 174.536 174.900 -0.027 0.000 1.242 350 G CA 0.048 45.077 45.100 -0.119 0.000 0.951 350 G HN 0.077 nan 8.290 nan 0.000 0.564 351 I N 1.351 121.892 120.570 -0.049 0.000 2.474 351 I HA 0.269 4.414 4.170 -0.040 0.000 0.287 351 I C 1.559 177.695 176.117 0.032 0.000 1.048 351 I CA -0.194 61.100 61.300 -0.010 0.000 1.383 351 I CB 0.817 38.802 38.000 -0.024 0.000 1.412 351 I HN 0.641 nan 8.210 nan 0.000 0.531 352 L N 6.115 127.373 121.223 0.057 0.000 2.200 352 L HA 0.492 4.807 4.340 -0.040 0.000 0.200 352 L C 0.628 177.545 176.870 0.078 0.000 1.072 352 L CA 1.071 55.965 54.840 0.090 0.000 0.787 352 L CB 0.094 42.215 42.059 0.104 0.000 0.957 352 L HN 0.720 nan 8.230 nan 0.000 0.459 353 A N -0.592 122.278 122.820 0.083 0.000 2.589 353 A HA 0.669 4.965 4.320 -0.040 0.000 0.296 353 A C -1.112 176.572 177.584 0.168 0.000 1.062 353 A CA -0.591 51.527 52.037 0.135 0.000 0.686 353 A CB 1.107 20.231 19.000 0.208 0.000 1.282 353 A HN 0.062 nan 8.150 nan 0.000 0.404 354 K N 0.563 121.079 120.400 0.194 0.000 2.557 354 K HA 0.597 4.892 4.320 -0.040 0.000 0.261 354 K C -2.134 174.619 176.600 0.256 0.000 0.932 354 K CA -0.526 55.890 56.287 0.215 0.000 0.829 354 K CB 1.802 34.355 32.500 0.087 0.000 1.358 354 K HN 1.092 nan 8.250 nan 0.000 0.430 355 H N 0.240 119.395 119.070 0.143 0.000 3.137 355 H HA 0.292 4.824 4.556 -0.041 0.000 0.336 355 H C -2.039 173.317 175.328 0.047 0.000 1.055 355 H CA -0.325 55.754 56.048 0.051 0.000 1.349 355 H CB 1.939 31.700 29.762 -0.002 0.000 1.939 355 H HN 0.352 nan 8.280 nan 0.000 0.487 356 S N 3.792 119.138 115.700 -0.590 0.000 2.461 356 S HA 0.223 4.669 4.470 -0.040 0.000 0.322 356 S C -0.909 173.239 174.600 -0.752 0.000 1.063 356 S CA -0.649 57.285 58.200 -0.444 0.000 1.120 356 S CB -0.009 63.039 63.200 -0.254 0.000 0.968 356 S HN 0.668 nan 8.310 nan 0.000 0.467 357 D N 3.827 123.918 120.400 -0.515 0.000 2.274 357 D HA 0.260 4.876 4.640 -0.040 0.000 0.239 357 D C 1.071 177.275 176.300 -0.161 0.000 1.104 357 D CA -0.589 53.228 54.000 -0.306 0.000 0.840 357 D CB 1.075 41.887 40.800 0.020 0.000 1.100 357 D HN 0.412 nan 8.370 nan 0.000 0.477 358 L N 5.421 126.515 121.223 -0.215 0.000 2.005 358 L HA 0.017 4.333 4.340 -0.040 0.000 0.207 358 L C 1.429 178.332 176.870 0.055 0.000 1.072 358 L CA 1.450 56.213 54.840 -0.129 0.000 0.744 358 L CB -0.413 41.511 42.059 -0.226 0.000 0.895 358 L HN 0.582 nan 8.230 nan 0.000 0.433 359 W N 0.013 121.322 121.300 0.014 0.000 2.342 359 W HA -0.130 4.506 4.660 -0.040 0.000 0.297 359 W C 2.944 179.469 176.519 0.010 0.000 1.213 359 W CA 1.550 58.903 57.345 0.013 0.000 1.251 359 W CB -1.755 27.717 29.460 0.020 0.000 1.136 359 W HN 0.565 nan 8.180 nan 0.000 0.526 360 S N -1.366 114.469 115.700 0.226 0.000 2.492 360 S HA 0.335 4.780 4.470 -0.040 0.000 0.218 360 S C 1.779 176.428 174.600 0.081 0.000 1.016 360 S CA 0.799 59.081 58.200 0.136 0.000 0.916 360 S CB 0.100 63.370 63.200 0.118 0.000 0.791 360 S HN 0.411 nan 8.310 nan 0.000 0.513 361 G N 1.211 110.046 108.800 0.058 0.000 2.184 361 G HA2 -0.238 3.697 3.960 -0.040 0.000 0.264 361 G HA3 -0.238 3.697 3.960 -0.040 0.000 0.264 361 G C 0.007 174.918 174.900 0.018 0.000 0.975 361 G CA 0.326 45.443 45.100 0.029 0.000 0.642 361 G HN 0.599 nan 8.290 nan 0.000 0.536 362 I N 1.393 121.979 120.570 0.026 0.000 2.371 362 I HA 0.265 4.411 4.170 -0.040 0.000 0.290 362 I C -0.341 175.791 176.117 0.025 0.000 1.028 362 I CA -0.746 60.577 61.300 0.039 0.000 1.345 362 I CB 0.917 38.953 38.000 0.059 0.000 1.407 362 I HN -0.041 nan 8.210 nan 0.000 0.501 363 N N 6.330 125.052 118.700 0.037 0.000 2.424 363 N HA 0.314 5.030 4.740 -0.040 0.000 0.271 363 N C -1.298 174.285 175.510 0.122 0.000 0.985 363 N CA -0.393 52.674 53.050 0.029 0.000 0.921 363 N CB 1.466 39.950 38.487 -0.005 0.000 1.149 363 N HN 0.428 nan 8.380 nan 0.000 0.492 364 Y N 1.128 121.416 120.300 -0.020 0.000 2.373 364 Y HA 0.517 5.043 4.550 -0.040 0.000 0.336 364 Y C -1.032 174.874 175.900 0.010 0.000 0.979 364 Y CA -0.364 57.740 58.100 0.007 0.000 1.080 364 Y CB 1.463 39.943 38.460 0.034 0.000 1.190 364 Y HN 0.374 nan 8.280 nan 0.000 0.446 365 T N 6.340 120.686 114.554 -0.346 0.000 2.933 365 T HA 0.639 4.965 4.350 -0.040 0.000 0.305 365 T C -1.336 173.102 174.700 -0.437 0.000 1.092 365 T CA -1.106 60.825 62.100 -0.282 0.000 1.008 365 T CB 1.571 70.363 68.868 -0.127 0.000 1.102 365 T HN 0.399 nan 8.240 nan 0.000 0.469 366 R N 1.562 121.895 120.500 -0.278 0.000 2.673 366 R HA 0.532 4.847 4.340 -0.040 0.000 0.281 366 R C -0.734 175.532 176.300 -0.056 0.000 0.991 366 R CA -0.988 54.998 56.100 -0.190 0.000 0.896 366 R CB 1.719 31.922 30.300 -0.162 0.000 1.201 366 R HN 0.449 nan 8.270 nan 0.000 0.457 367 R N 1.405 121.893 120.500 -0.020 0.000 2.410 367 R HA 0.295 4.610 4.340 -0.040 0.000 0.288 367 R C 0.235 176.592 176.300 0.096 0.000 1.051 367 R CA -0.350 55.770 56.100 0.035 0.000 1.021 367 R CB 0.764 31.089 30.300 0.042 0.000 1.032 367 R HN 0.649 nan 8.270 nan 0.000 0.481 368 N N 1.028 119.820 118.700 0.152 0.000 2.482 368 N HA 0.424 5.140 4.740 -0.040 0.000 0.279 368 N C -0.759 174.950 175.510 0.330 0.000 1.182 368 N CA -0.642 52.560 53.050 0.254 0.000 0.969 368 N CB 1.286 39.960 38.487 0.312 0.000 1.201 368 N HN 0.493 nan 8.380 nan 0.000 0.523 369 R N -0.042 120.703 120.500 0.408 0.000 2.710 369 R HA 0.438 4.754 4.340 -0.040 0.000 0.270 369 R C -1.465 175.067 176.300 0.387 0.000 1.021 369 R CA -1.109 55.238 56.100 0.411 0.000 0.889 369 R CB 1.304 31.843 30.300 0.398 0.000 1.243 369 R HN 0.570 nan 8.270 nan 0.000 0.464 370 R N 1.780 122.290 120.500 0.018 0.000 2.750 370 R HA 0.562 4.877 4.340 -0.040 0.000 0.281 370 R C -1.321 174.507 176.300 -0.787 0.000 0.972 370 R CA -1.077 54.716 56.100 -0.512 0.000 0.912 370 R CB 2.014 31.642 30.300 -1.119 0.000 1.187 370 R HN 0.634 nan 8.270 nan 0.000 0.464 371 M N 2.845 121.693 119.600 -1.255 0.000 2.180 371 M HA 0.298 4.754 4.480 -0.040 0.000 0.350 371 M C -1.644 174.154 176.300 -0.837 0.000 1.125 371 M CA -0.650 53.816 55.300 -1.389 0.000 1.031 371 M CB 1.642 33.144 32.600 -1.830 0.000 1.623 371 M HN 0.464 nan 8.290 nan 0.000 0.451 372 V N 7.240 126.720 119.914 -0.724 0.000 2.398 372 V HA 0.541 4.637 4.120 -0.040 0.000 0.286 372 V C -0.366 175.506 176.094 -0.370 0.000 1.026 372 V CA -0.496 61.533 62.300 -0.451 0.000 0.868 372 V CB 1.298 32.863 31.823 -0.430 0.000 0.982 372 V HN 0.797 nan 8.190 nan 0.000 0.443 373 I N 4.943 125.362 120.570 -0.252 0.000 2.439 373 I HA 0.553 4.699 4.170 -0.040 0.000 0.283 373 I C -0.036 176.070 176.117 -0.018 0.000 1.023 373 I CA 0.105 61.325 61.300 -0.134 0.000 1.100 373 I CB 1.790 39.706 38.000 -0.140 0.000 1.238 373 I HN 0.788 nan 8.210 nan 0.000 0.445 374 S N 5.534 121.226 115.700 -0.014 0.000 2.651 374 S HA 0.881 5.326 4.470 -0.040 0.000 0.279 374 S C -0.859 173.818 174.600 0.128 0.000 1.148 374 S CA -0.736 57.401 58.200 -0.106 0.000 0.837 374 S CB 2.541 65.376 63.200 -0.610 0.000 1.138 374 S HN 0.468 nan 8.310 nan 0.000 0.478 375 F N -1.481 118.401 119.950 -0.115 0.000 2.654 375 F HA 0.873 5.375 4.527 -0.041 0.000 0.308 375 F C -1.969 173.835 175.800 0.007 0.000 1.108 375 F CA -1.625 56.389 58.000 0.024 0.000 0.957 375 F CB 0.820 39.881 39.000 0.103 0.000 1.309 375 F HN 0.597 nan 8.300 nan 0.000 0.446 376 F N 0.867 120.847 119.950 0.051 0.000 2.532 376 F HA 0.740 5.242 4.527 -0.041 0.000 0.321 376 F C -0.100 175.788 175.800 0.147 0.000 1.089 376 F CA -0.414 57.584 58.000 -0.003 0.000 0.926 376 F CB 2.347 41.373 39.000 0.044 0.000 1.168 376 F HN 0.844 nan 8.300 nan 0.000 0.459 377 T N 1.984 116.721 114.554 0.306 0.000 2.906 377 T HA 0.610 4.935 4.350 -0.040 0.000 0.295 377 T C -1.258 173.681 174.700 0.399 0.000 1.061 377 T CA -0.371 61.953 62.100 0.372 0.000 1.000 377 T CB 1.297 70.348 68.868 0.304 0.000 1.103 377 T HN 0.573 nan 8.240 nan 0.000 0.486 378 T N 4.649 119.406 114.554 0.339 0.000 2.809 378 T HA 0.540 4.866 4.350 -0.040 0.000 0.284 378 T C -0.577 174.215 174.700 0.153 0.000 0.992 378 T CA -0.590 61.638 62.100 0.213 0.000 0.957 378 T CB 0.549 69.510 68.868 0.154 0.000 0.942 378 T HN 0.427 nan 8.240 nan 0.000 0.439 379 I N 3.813 124.431 120.570 0.080 0.000 2.621 379 I HA 0.371 4.517 4.170 -0.040 0.000 0.276 379 I C 1.300 177.372 176.117 -0.075 0.000 1.118 379 I CA 0.033 61.326 61.300 -0.013 0.000 1.159 379 I CB -0.251 37.804 38.000 0.091 0.000 1.357 379 I HN 0.976 nan 8.210 nan 0.000 0.513 380 G N 6.642 115.394 108.800 -0.080 0.000 2.675 380 G HA2 -0.316 3.619 3.960 -0.040 0.000 0.312 380 G HA3 -0.316 3.619 3.960 -0.040 0.000 0.312 380 G C 0.445 175.304 174.900 -0.068 0.000 1.186 380 G CA 0.517 45.633 45.100 0.026 0.000 0.965 380 G HN 0.640 nan 8.290 nan 0.000 0.548 384 Y N 0.131 120.502 120.300 0.118 0.000 2.442 384 Y HA 0.688 5.214 4.550 -0.040 0.000 0.344 384 Y C 0.670 175.905 175.900 -1.108 0.000 0.976 384 Y CA -1.085 56.893 58.100 -0.203 0.000 1.040 384 Y CB 2.582 41.133 38.460 0.152 0.000 1.228 384 Y HN 0.458 nan 8.280 nan 0.000 0.451 385 G N 2.462 110.605 108.800 -1.095 0.000 2.368 385 G HA2 0.566 4.502 3.960 -0.040 0.000 0.320 385 G HA3 0.566 4.502 3.960 -0.040 0.000 0.320 385 G C -1.658 172.958 174.900 -0.473 0.000 1.158 385 G CA -0.344 43.962 45.100 -1.323 0.000 0.912 385 G HN 0.305 nan 8.290 nan 0.000 0.456 386 F N 1.863 121.193 119.950 -1.033 0.000 2.388 386 F HA 0.482 4.984 4.527 -0.041 0.000 0.358 386 F C -0.645 174.652 175.800 -0.838 0.000 1.122 386 F CA -1.209 56.345 58.000 -0.744 0.000 1.056 386 F CB 1.564 40.131 39.000 -0.722 0.000 1.155 386 F HN 0.316 nan 8.300 nan 0.000 0.461 387 Y N 1.488 121.327 120.300 -0.768 0.000 2.376 387 Y HA 0.437 4.963 4.550 -0.041 0.000 0.340 387 Y C -1.012 174.185 175.900 -1.173 0.000 0.965 387 Y CA -1.514 56.078 58.100 -0.846 0.000 1.078 387 Y CB 1.339 39.220 38.460 -0.964 0.000 1.193 387 Y HN 0.504 nan 8.280 nan 0.000 0.452 388 W N 3.366 124.320 121.300 -0.577 0.000 2.529 388 W HA 0.612 5.248 4.660 -0.040 0.000 0.321 388 W C -1.405 174.673 176.519 -0.734 0.000 1.047 388 W CA -0.740 56.317 57.345 -0.480 0.000 1.216 388 W CB 1.134 30.471 29.460 -0.204 0.000 1.357 388 W HN 0.344 nan 8.180 nan 0.000 0.489 389 Y N 2.856 123.044 120.300 -0.186 0.000 2.446 389 Y HA 0.664 5.189 4.550 -0.041 0.000 0.345 389 Y C -0.271 175.290 175.900 -0.566 0.000 0.984 389 Y CA -1.471 56.317 58.100 -0.520 0.000 1.058 389 Y CB 1.275 39.300 38.460 -0.724 0.000 1.220 389 Y HN 0.054 nan 8.280 nan 0.000 0.455 390 L N 3.771 124.615 121.223 -0.632 0.000 2.356 390 L HA 0.517 4.833 4.340 -0.040 0.000 0.277 390 L C -1.241 175.398 176.870 -0.384 0.000 0.996 390 L CA -0.830 53.588 54.840 -0.702 0.000 0.822 390 L CB 1.278 42.615 42.059 -1.204 0.000 1.256 390 L HN 0.602 nan 8.230 nan 0.000 0.413 391 Y N 1.894 122.325 120.300 0.218 0.000 2.453 391 Y HA 0.308 4.834 4.550 -0.041 0.000 0.326 391 Y C 1.206 177.559 175.900 0.755 0.000 1.186 391 Y CA -0.704 57.649 58.100 0.422 0.000 1.200 391 Y CB 1.404 40.005 38.460 0.235 0.000 1.247 391 Y HN 0.443 nan 8.280 nan 0.000 0.482 392 L N 0.780 122.436 121.223 0.722 0.000 2.081 392 L HA -0.216 4.100 4.340 -0.040 0.000 0.212 392 L C 1.639 178.748 176.870 0.398 0.000 1.080 392 L CA 1.824 56.940 54.840 0.460 0.000 0.754 392 L CB -0.316 41.902 42.059 0.265 0.000 0.893 392 L HN 0.784 nan 8.230 nan 0.000 0.433 393 D N -0.557 120.053 120.400 0.350 0.000 2.324 393 D HA -0.006 4.610 4.640 -0.040 0.000 0.235 393 D C 1.340 177.726 176.300 0.144 0.000 1.095 393 D CA 0.860 54.952 54.000 0.154 0.000 0.871 393 D CB 0.277 41.143 40.800 0.109 0.000 0.906 393 D HN 0.360 nan 8.370 nan 0.000 0.522 394 G N -0.320 108.735 108.800 0.426 0.000 2.175 394 G HA2 -0.243 3.693 3.960 -0.040 0.000 0.244 394 G HA3 -0.243 3.693 3.960 -0.040 0.000 0.244 394 G C 0.358 175.726 174.900 0.780 0.000 0.982 394 G CA 0.229 45.615 45.100 0.477 0.000 0.641 394 G HN 0.447 nan 8.290 nan 0.000 0.527 395 T N 1.079 116.028 114.554 0.660 0.000 2.869 395 T HA 0.593 4.919 4.350 -0.040 0.000 0.295 395 T C 0.488 175.545 174.700 0.595 0.000 0.987 395 T CA 0.335 62.759 62.100 0.540 0.000 1.109 395 T CB 1.315 70.344 68.868 0.268 0.000 0.932 395 T HN 0.327 nan 8.240 nan 0.000 0.518 396 I N 2.632 123.476 120.570 0.456 0.000 2.433 396 I HA 0.482 4.628 4.170 -0.040 0.000 0.292 396 I C 0.190 176.443 176.117 0.226 0.000 1.001 396 I CA -0.555 60.907 61.300 0.269 0.000 1.119 396 I CB 1.797 39.933 38.000 0.226 0.000 1.289 396 I HN 0.564 nan 8.210 nan 0.000 0.438 397 E N 5.279 125.575 120.200 0.159 0.000 2.367 397 E HA 0.491 4.817 4.350 -0.040 0.000 0.273 397 E C -1.990 174.474 176.600 -0.228 0.000 0.903 397 E CA -0.689 55.708 56.400 -0.006 0.000 0.764 397 E CB 2.793 32.624 29.700 0.219 0.000 1.252 397 E HN 0.408 nan 8.360 nan 0.000 0.446 398 F N 2.084 121.509 119.950 -0.876 0.000 2.551 398 F HA 0.500 5.002 4.527 -0.041 0.000 0.316 398 F C -1.199 174.106 175.800 -0.825 0.000 1.089 398 F CA -0.523 56.787 58.000 -1.150 0.000 0.915 398 F CB 1.796 39.777 39.000 -1.698 0.000 1.186 398 F HN 0.458 nan 8.300 nan 0.000 0.456 399 E N 4.059 123.165 120.200 -1.823 0.000 2.278 399 E HA 0.676 5.002 4.350 -0.040 0.000 0.272 399 E C -1.922 173.833 176.600 -1.407 0.000 0.890 399 E CA -0.981 54.702 56.400 -1.195 0.000 0.770 399 E CB 1.758 31.186 29.700 -0.452 0.000 1.212 399 E HN 0.858 nan 8.360 nan 0.000 0.415 400 A N 4.764 126.987 122.820 -0.996 0.000 2.271 400 A HA 0.469 4.765 4.320 -0.040 0.000 0.317 400 A C -0.708 176.637 177.584 -0.397 0.000 1.245 400 A CA -0.670 50.881 52.037 -0.809 0.000 0.857 400 A CB 0.634 18.970 19.000 -1.107 0.000 1.175 400 A HN 0.532 nan 8.150 nan 0.000 0.512 401 K N 1.916 122.176 120.400 -0.233 0.000 2.293 401 K HA 0.561 4.856 4.320 -0.040 0.000 0.267 401 K C -0.426 176.179 176.600 0.009 0.000 1.010 401 K CA -0.204 56.036 56.287 -0.080 0.000 0.875 401 K CB 1.960 34.473 32.500 0.022 0.000 1.106 401 K HN 0.718 nan 8.250 nan 0.000 0.450 402 A N 3.030 125.847 122.820 -0.005 0.000 2.260 402 A HA 0.575 4.871 4.320 -0.040 0.000 0.314 402 A C -0.101 177.415 177.584 -0.113 0.000 1.257 402 A CA -0.312 51.692 52.037 -0.054 0.000 0.871 402 A CB 0.598 19.507 19.000 -0.150 0.000 1.166 402 A HN 0.720 nan 8.150 nan 0.000 0.522 403 T N 0.234 114.710 114.554 -0.130 0.000 2.551 403 T HA 0.923 5.249 4.350 -0.040 0.000 0.249 403 T C 0.748 175.334 174.700 -0.189 0.000 0.851 403 T CA 0.010 62.047 62.100 -0.104 0.000 1.149 403 T CB 0.622 69.480 68.868 -0.017 0.000 1.456 403 T HN 2.385 nan 8.240 nan 0.000 0.514 404 G N -0.304 108.386 108.800 -0.183 0.000 2.482 404 G HA2 0.061 3.997 3.960 -0.040 0.000 0.214 404 G HA3 0.061 3.997 3.960 -0.040 0.000 0.214 404 G C -1.259 173.489 174.900 -0.254 0.000 1.271 404 G CA -0.376 44.583 45.100 -0.236 0.000 0.944 404 G HN 1.165 nan 8.290 nan 0.000 0.568 405 V N 1.031 120.759 119.914 -0.309 0.000 2.604 405 V HA 0.638 4.734 4.120 -0.040 0.000 0.305 405 V C 1.039 177.006 176.094 -0.212 0.000 1.043 405 V CA -0.144 61.995 62.300 -0.269 0.000 0.888 405 V CB 1.261 32.839 31.823 -0.408 0.000 0.995 405 V HN 1.747 nan 8.190 nan 0.000 0.429 406 V N 2.012 121.954 119.914 0.046 0.000 2.843 406 V HA 0.389 4.485 4.120 -0.040 0.000 0.305 406 V C -0.174 175.962 176.094 0.071 0.000 1.065 406 V CA -0.216 62.145 62.300 0.102 0.000 1.116 406 V CB 0.366 32.317 31.823 0.212 0.000 0.968 406 V HN 0.625 nan 8.190 nan 0.000 0.487 407 F N 4.466 124.380 119.950 -0.061 0.000 2.467 407 F HA 0.525 5.031 4.527 -0.035 0.000 0.362 407 F C 0.988 176.887 175.800 0.165 0.000 1.090 407 F CA 0.307 58.316 58.000 0.015 0.000 1.202 407 F CB 0.832 39.811 39.000 -0.035 0.000 1.113 407 F HN 0.982 nan 8.300 nan 0.000 0.541 408 T N 1.768 116.349 114.554 0.044 0.000 2.936 408 T HA 0.802 5.128 4.350 -0.040 0.000 0.282 408 T C -0.156 174.604 174.700 0.101 0.000 1.003 408 T CA -0.330 61.839 62.100 0.114 0.000 1.005 408 T CB 1.615 70.533 68.868 0.084 0.000 1.097 408 T HN 0.688 nan 8.240 nan 0.000 0.532 409 S N -0.361 115.349 115.700 0.018 0.000 2.819 409 S HA 0.809 5.255 4.470 -0.040 0.000 0.299 409 S C -0.785 173.752 174.600 -0.104 0.000 1.192 409 S CA -0.882 57.277 58.200 -0.068 0.000 0.847 409 S CB 0.850 64.020 63.200 -0.051 0.000 1.224 409 S HN 1.362 nan 8.310 nan 0.000 0.537 410 A N 0.495 123.201 122.820 -0.190 0.000 2.306 410 A HA 0.708 5.004 4.320 -0.040 0.000 0.314 410 A C -0.878 176.701 177.584 -0.009 0.000 1.164 410 A CA -0.487 51.488 52.037 -0.103 0.000 0.822 410 A CB -0.051 18.854 19.000 -0.159 0.000 1.130 410 A HN 0.843 nan 8.150 nan 0.000 0.496 411 F N 5.227 125.143 119.950 -0.056 0.000 2.444 411 F HA 0.424 4.924 4.527 -0.044 0.000 0.360 411 F C -1.684 174.141 175.800 0.042 0.000 1.106 411 F CA -2.520 55.462 58.000 -0.030 0.000 1.170 411 F CB 0.720 39.701 39.000 -0.032 0.000 1.113 411 F HN 0.382 nan 8.300 nan 0.000 0.521 412 P HA -0.030 nan 4.420 nan 0.000 0.269 412 P C -0.741 176.359 177.300 -0.334 0.000 1.209 412 P CA -0.168 62.789 63.100 -0.239 0.000 0.776 412 P CB 0.622 32.204 31.700 -0.197 0.000 0.876 413 E N 0.690 120.818 120.200 -0.120 0.000 2.324 413 E HA 0.283 4.609 4.350 -0.040 0.000 0.271 413 E C 0.988 177.522 176.600 -0.111 0.000 1.028 413 E CA 0.485 56.835 56.400 -0.083 0.000 0.890 413 E CB -0.391 29.281 29.700 -0.047 0.000 1.004 413 E HN 0.781 nan 8.360 nan 0.000 0.431 414 G N 2.786 111.535 108.800 -0.084 0.000 2.195 414 G HA2 -0.171 3.765 3.960 -0.040 0.000 0.224 414 G HA3 -0.171 3.765 3.960 -0.040 0.000 0.224 414 G C 0.596 175.439 174.900 -0.095 0.000 0.990 414 G CA -0.148 44.913 45.100 -0.065 0.000 0.639 414 G HN 1.413 nan 8.290 nan 0.000 0.514 415 G N -1.467 107.178 108.800 -0.259 0.000 2.698 415 G HA2 0.406 4.341 3.960 -0.040 0.000 0.225 415 G HA3 0.406 4.341 3.960 -0.040 0.000 0.225 415 G C -0.194 174.493 174.900 -0.356 0.000 1.345 415 G CA 0.913 45.820 45.100 -0.322 0.000 0.871 415 G HN 2.157 nan 8.290 nan 0.000 0.540 416 S N -1.470 114.145 115.700 -0.142 0.000 2.537 416 S HA 0.594 5.039 4.470 -0.040 0.000 0.271 416 S C -0.277 174.333 174.600 0.017 0.000 1.148 416 S CA 0.369 58.511 58.200 -0.097 0.000 0.868 416 S CB 1.760 64.853 63.200 -0.179 0.000 1.115 416 S HN 0.601 nan 8.310 nan 0.000 0.461 417 D N 2.176 122.577 120.400 0.001 0.000 2.350 417 D HA 0.200 4.816 4.640 -0.040 0.000 0.213 417 D C 0.357 176.687 176.300 0.051 0.000 1.031 417 D CA 0.527 54.575 54.000 0.080 0.000 0.861 417 D CB 0.051 40.899 40.800 0.080 0.000 0.926 417 D HN 0.598 nan 8.370 nan 0.000 0.520 418 N N -0.654 117.905 118.700 -0.234 0.000 2.184 418 N HA 0.269 4.985 4.740 -0.040 0.000 0.234 418 N C -0.386 174.468 175.510 -1.093 0.000 1.282 418 N CA -0.003 52.744 53.050 -0.506 0.000 0.877 418 N CB 1.746 40.155 38.487 -0.130 0.000 1.184 418 N HN -0.017 nan 8.380 nan 0.000 0.510 419 I N 0.126 120.113 120.570 -0.971 0.000 2.827 419 I HA 0.377 4.523 4.170 -0.040 0.000 0.298 419 I C -0.787 175.249 176.117 -0.135 0.000 1.235 419 I CA -0.990 59.993 61.300 -0.528 0.000 1.021 419 I CB 2.258 40.212 38.000 -0.077 0.000 1.259 419 I HN -0.059 nan 8.210 nan 0.000 0.427 420 S N 3.061 118.818 115.700 0.096 0.000 2.607 420 S HA 0.541 4.986 4.470 -0.040 0.000 0.303 420 S C -0.870 173.597 174.600 -0.223 0.000 1.086 420 S CA -0.812 57.457 58.200 0.116 0.000 0.995 420 S CB 2.116 65.513 63.200 0.330 0.000 1.084 420 S HN 0.668 nan 8.310 nan 0.000 0.507 421 Q N 0.773 120.152 119.800 -0.701 0.000 2.274 421 Q HA 0.469 4.785 4.340 -0.040 0.000 0.256 421 Q C -0.222 175.569 176.000 -0.350 0.000 0.927 421 Q CA -0.522 54.794 55.803 -0.811 0.000 0.939 421 Q CB 0.762 28.695 28.738 -1.341 0.000 1.201 421 Q HN 0.859 nan 8.270 nan 0.000 0.426 422 L N 2.242 123.295 121.223 -0.283 0.000 2.470 422 L HA 0.517 4.832 4.340 -0.040 0.000 0.219 422 L C 0.400 177.148 176.870 -0.204 0.000 1.071 422 L CA 0.125 54.845 54.840 -0.201 0.000 0.850 422 L CB 0.543 42.418 42.059 -0.307 0.000 1.040 422 L HN 0.632 nan 8.230 nan 0.000 0.475 423 A N -1.003 121.660 122.820 -0.262 0.000 2.557 423 A HA 0.672 4.967 4.320 -0.040 0.000 0.292 423 A C -2.763 174.759 177.584 -0.102 0.000 1.139 423 A CA -1.061 50.887 52.037 -0.148 0.000 0.665 423 A CB 0.414 19.295 19.000 -0.198 0.000 1.285 423 A HN -0.240 nan 8.150 nan 0.000 0.433 424 P HA 0.327 nan 4.420 nan 0.000 0.266 424 P C 0.970 178.283 177.300 0.022 0.000 1.215 424 P CA 2.084 65.189 63.100 0.008 0.000 0.763 424 P CB 0.559 32.276 31.700 0.030 0.000 0.806 425 G N 2.447 111.290 108.800 0.071 0.000 2.220 425 G HA2 -0.287 3.649 3.960 -0.040 0.000 0.269 425 G HA3 -0.287 3.649 3.960 -0.040 0.000 0.269 425 G C -0.098 174.845 174.900 0.072 0.000 0.977 425 G CA -0.028 45.136 45.100 0.107 0.000 0.634 425 G HN 0.564 nan 8.290 nan 0.000 0.539 426 L N 2.046 123.249 121.223 -0.034 0.000 2.257 426 L HA 0.757 5.072 4.340 -0.040 0.000 0.290 426 L C 0.825 177.621 176.870 -0.123 0.000 1.044 426 L CA 0.159 54.911 54.840 -0.146 0.000 0.810 426 L CB 0.862 42.697 42.059 -0.373 0.000 1.193 426 L HN 0.343 nan 8.230 nan 0.000 0.425 427 G N 3.465 112.253 108.800 -0.021 0.000 2.521 427 G HA2 0.762 4.698 3.960 -0.040 0.000 0.323 427 G HA3 0.762 4.698 3.960 -0.040 0.000 0.323 427 G C -1.472 173.431 174.900 0.005 0.000 1.211 427 G CA -0.267 44.873 45.100 0.066 0.000 0.979 427 G HN 0.975 nan 8.290 nan 0.000 0.490 428 A N 0.955 123.816 122.820 0.070 0.000 2.599 428 A HA 0.716 5.012 4.320 -0.040 0.000 0.281 428 A C -2.889 174.808 177.584 0.189 0.000 1.137 428 A CA -1.172 50.942 52.037 0.129 0.000 0.767 428 A CB 1.592 20.662 19.000 0.117 0.000 1.266 428 A HN 0.403 nan 8.150 nan 0.000 0.420 429 P HA 0.217 nan 4.420 nan 0.000 0.266 429 P C -0.414 177.136 177.300 0.416 0.000 1.195 429 P CA 0.210 63.445 63.100 0.226 0.000 0.768 429 P CB 0.183 32.084 31.700 0.335 0.000 0.838 430 F N 3.485 123.531 119.950 0.160 0.000 2.471 430 F HA 0.239 4.743 4.527 -0.038 0.000 0.353 430 F C 1.569 177.277 175.800 -0.154 0.000 1.113 430 F CA 0.398 58.369 58.000 -0.048 0.000 1.262 430 F CB -0.381 38.600 39.000 -0.032 0.000 1.146 430 F HN 0.483 nan 8.300 nan 0.000 0.578 431 H N 0.211 119.100 119.070 -0.302 0.000 2.948 431 H HA 0.511 5.043 4.556 -0.040 0.000 0.315 431 H C -1.790 173.258 175.328 -0.466 0.000 1.360 431 H CA -1.128 54.556 56.048 -0.605 0.000 1.125 431 H CB 1.400 30.358 29.762 -1.340 0.000 1.844 431 H HN 0.581 nan 8.280 nan 0.000 0.529 432 Q N 0.236 119.772 119.800 -0.440 0.000 2.433 432 Q HA 0.387 4.703 4.340 -0.040 0.000 0.279 432 Q C -0.996 174.786 176.000 -0.364 0.000 1.105 432 Q CA -0.946 54.660 55.803 -0.328 0.000 0.815 432 Q CB 2.896 31.479 28.738 -0.258 0.000 1.403 432 Q HN 0.551 nan 8.270 nan 0.000 0.435 433 H N 1.587 120.540 119.070 -0.195 0.000 2.792 433 H HA 0.416 4.948 4.556 -0.041 0.000 0.298 433 H C -0.823 174.251 175.328 -0.424 0.000 1.042 433 H CA -0.240 55.628 56.048 -0.300 0.000 1.300 433 H CB 0.697 30.386 29.762 -0.121 0.000 1.431 433 H HN 0.429 nan 8.280 nan 0.000 0.496 434 I N 3.999 124.299 120.570 -0.450 0.000 2.362 434 I HA 0.231 4.376 4.170 -0.040 0.000 0.289 434 I C -0.458 175.355 176.117 -0.507 0.000 0.994 434 I CA -0.588 60.491 61.300 -0.368 0.000 1.158 434 I CB 0.893 38.738 38.000 -0.259 0.000 1.315 434 I HN 0.195 nan 8.210 nan 0.000 0.451 435 F N 3.106 122.767 119.950 -0.481 0.000 2.450 435 F HA 0.519 5.022 4.527 -0.040 0.000 0.328 435 F C 0.680 176.250 175.800 -0.382 0.000 1.068 435 F CA -0.853 56.802 58.000 -0.575 0.000 1.007 435 F CB 1.564 39.887 39.000 -1.128 0.000 1.251 435 F HN 0.262 nan 8.300 nan 0.000 0.492 436 S N 0.872 116.558 115.700 -0.023 0.000 2.756 436 S HA 0.751 5.197 4.470 -0.040 0.000 0.303 436 S C -0.925 173.740 174.600 0.109 0.000 1.135 436 S CA -0.546 57.666 58.200 0.021 0.000 1.066 436 S CB 0.401 63.408 63.200 -0.322 0.000 1.008 436 S HN 0.820 nan 8.310 nan 0.000 0.482 437 A N 4.701 127.639 122.820 0.197 0.000 2.276 437 A HA 0.625 4.921 4.320 -0.040 0.000 0.300 437 A C 0.132 177.729 177.584 0.022 0.000 1.235 437 A CA -0.636 51.482 52.037 0.135 0.000 0.867 437 A CB 0.360 19.395 19.000 0.059 0.000 1.137 437 A HN 0.835 nan 8.150 nan 0.000 0.527 438 R N 3.350 123.805 120.500 -0.076 0.000 2.207 438 R HA 0.545 4.861 4.340 -0.040 0.000 0.334 438 R C -1.537 174.564 176.300 -0.333 0.000 1.013 438 R CA -0.348 55.500 56.100 -0.419 0.000 0.858 438 R CB 0.323 30.272 30.300 -0.585 0.000 1.094 438 R HN 0.707 nan 8.270 nan 0.000 0.457 439 L N 4.507 125.514 121.223 -0.360 0.000 2.324 439 L HA 0.271 4.587 4.340 -0.040 0.000 0.274 439 L C -0.607 176.125 176.870 -0.230 0.000 1.012 439 L CA -0.864 53.850 54.840 -0.209 0.000 0.859 439 L CB 1.519 43.522 42.059 -0.094 0.000 1.224 439 L HN 0.582 nan 8.230 nan 0.000 0.429 440 D N 4.614 124.890 120.400 -0.206 0.000 2.402 440 D HA 0.189 4.805 4.640 -0.040 0.000 0.235 440 D C 0.207 176.459 176.300 -0.079 0.000 1.226 440 D CA -0.275 53.645 54.000 -0.133 0.000 0.918 440 D CB 0.607 41.341 40.800 -0.111 0.000 1.043 440 D HN 0.137 nan 8.370 nan 0.000 0.506 441 M N 2.446 122.016 119.600 -0.050 0.000 2.245 441 M HA 0.333 4.789 4.480 -0.040 0.000 0.344 441 M C 0.328 176.592 176.300 -0.059 0.000 1.170 441 M CA -0.306 54.963 55.300 -0.051 0.000 1.135 441 M CB 0.734 33.324 32.600 -0.017 0.000 1.574 441 M HN 0.495 nan 8.290 nan 0.000 0.452 442 A N 4.139 126.857 122.820 -0.170 0.000 3.339 442 A HA 0.387 4.682 4.320 -0.040 0.000 0.219 442 A C -0.315 177.131 177.584 -0.230 0.000 0.974 442 A CA -0.545 51.286 52.037 -0.343 0.000 1.050 442 A CB 0.118 18.743 19.000 -0.625 0.000 1.271 442 A HN 0.620 nan 8.150 nan 0.000 0.565 443 I N 1.681 122.186 120.570 -0.108 0.000 2.574 443 I HA 0.054 4.200 4.170 -0.040 0.000 0.291 443 I C 0.187 176.344 176.117 0.066 0.000 1.131 443 I CA 0.790 62.102 61.300 0.020 0.000 1.352 443 I CB -1.092 36.966 38.000 0.096 0.000 1.431 443 I HN 0.452 nan 8.210 nan 0.000 0.543 444 D N 5.212 125.674 120.400 0.103 0.000 2.723 444 D HA -0.140 4.476 4.640 -0.040 0.000 0.236 444 D C 0.718 176.971 176.300 -0.079 0.000 1.138 444 D CA 1.668 55.673 54.000 0.008 0.000 0.676 444 D CB -0.739 40.037 40.800 -0.039 0.000 1.069 444 D HN 1.132 nan 8.370 nan 0.000 0.430 445 G N -1.812 106.872 108.800 -0.193 0.000 2.525 445 G HA2 -0.173 3.762 3.960 -0.040 0.000 0.685 445 G HA3 -0.173 3.762 3.960 -0.040 0.000 0.685 445 G C 0.407 175.104 174.900 -0.337 0.000 1.290 445 G CA -0.362 44.559 45.100 -0.300 0.000 0.915 445 G HN 0.088 nan 8.290 nan 0.000 0.548 446 F N 0.737 120.673 119.950 -0.023 0.000 2.710 446 F HA 0.189 4.692 4.527 -0.041 0.000 0.298 446 F C 2.317 178.112 175.800 -0.009 0.000 1.137 446 F CA 1.263 59.244 58.000 -0.033 0.000 1.444 446 F CB 0.105 39.072 39.000 -0.056 0.000 1.111 446 F HN 0.327 nan 8.300 nan 0.000 0.580 447 T N 2.609 117.244 114.554 0.135 0.000 2.978 447 T HA 0.130 4.455 4.350 -0.040 0.000 0.278 447 T C -0.045 174.700 174.700 0.075 0.000 0.945 447 T CA -0.140 62.019 62.100 0.098 0.000 1.070 447 T CB -0.535 68.374 68.868 0.069 0.000 0.948 447 T HN -0.002 nan 8.240 nan 0.000 0.617 448 N N 2.396 121.148 118.700 0.087 0.000 2.453 448 N HA 0.676 5.392 4.740 -0.040 0.000 0.290 448 N C -0.322 175.236 175.510 0.079 0.000 1.250 448 N CA -0.936 52.159 53.050 0.076 0.000 0.815 448 N CB 1.846 40.376 38.487 0.072 0.000 1.381 448 N HN 0.456 nan 8.380 nan 0.000 0.510 449 R N -0.252 120.296 120.500 0.079 0.000 2.710 449 R HA 0.646 4.961 4.340 -0.040 0.000 0.270 449 R C -2.049 174.307 176.300 0.093 0.000 1.021 449 R CA -0.567 55.582 56.100 0.082 0.000 0.889 449 R CB 1.278 31.620 30.300 0.071 0.000 1.243 449 R HN 0.299 nan 8.270 nan 0.000 0.464 450 V N 2.203 122.180 119.914 0.104 0.000 2.709 450 V HA 0.446 4.542 4.120 -0.040 0.000 0.308 450 V C -0.894 175.284 176.094 0.141 0.000 1.062 450 V CA -0.721 61.657 62.300 0.131 0.000 0.901 450 V CB 2.015 33.923 31.823 0.141 0.000 1.003 450 V HN 0.789 nan 8.190 nan 0.000 0.425 451 E N 2.287 122.577 120.200 0.150 0.000 2.256 451 E HA 0.477 4.802 4.350 -0.040 0.000 0.267 451 E C -1.006 175.682 176.600 0.146 0.000 0.892 451 E CA -0.733 55.741 56.400 0.124 0.000 0.775 451 E CB 2.910 32.651 29.700 0.068 0.000 1.207 451 E HN 0.723 nan 8.360 nan 0.000 0.420 452 E N 2.452 122.718 120.200 0.109 0.000 2.115 452 E HA 0.066 4.392 4.350 -0.040 0.000 0.282 452 E C -1.016 175.501 176.600 -0.139 0.000 0.987 452 E CA -0.284 56.091 56.400 -0.042 0.000 0.797 452 E CB 0.878 30.629 29.700 0.086 0.000 1.086 452 E HN 0.404 nan 8.360 nan 0.000 0.397 453 E N 4.561 124.612 120.200 -0.248 0.000 2.081 453 E HA 0.134 4.460 4.350 -0.040 0.000 0.276 453 E C -1.151 175.333 176.600 -0.194 0.000 0.950 453 E CA -0.725 55.573 56.400 -0.170 0.000 0.776 453 E CB 0.729 30.350 29.700 -0.132 0.000 1.094 453 E HN 0.429 nan 8.360 nan 0.000 0.402 454 D N 2.585 122.912 120.400 -0.121 0.000 2.198 454 D HA 0.233 4.849 4.640 -0.040 0.000 0.247 454 D C -0.423 175.849 176.300 -0.045 0.000 1.010 454 D CA -0.549 53.391 54.000 -0.099 0.000 0.880 454 D CB 2.036 42.793 40.800 -0.071 0.000 1.209 454 D HN 0.156 nan 8.370 nan 0.000 0.451 455 V N 1.566 121.459 119.914 -0.036 0.000 2.715 455 V HA 0.194 4.290 4.120 -0.040 0.000 0.299 455 V C 0.168 176.273 176.094 0.018 0.000 1.054 455 V CA -0.225 62.080 62.300 0.008 0.000 1.077 455 V CB 1.445 33.250 31.823 -0.031 0.000 0.972 455 V HN 0.249 nan 8.190 nan 0.000 0.484 456 V N 6.122 126.076 119.914 0.067 0.000 2.444 456 V HA 0.465 4.561 4.120 -0.040 0.000 0.294 456 V C 0.162 176.312 176.094 0.093 0.000 1.022 456 V CA -0.818 61.517 62.300 0.058 0.000 0.850 456 V CB 1.671 33.523 31.823 0.049 0.000 0.992 456 V HN 0.796 nan 8.190 nan 0.000 0.426 457 R N 3.397 123.930 120.500 0.055 0.000 2.457 457 R HA 0.573 4.889 4.340 -0.040 0.000 0.284 457 R C -0.585 175.751 176.300 0.061 0.000 1.024 457 R CA -0.513 55.626 56.100 0.064 0.000 1.025 457 R CB 1.310 31.623 30.300 0.021 0.000 1.063 457 R HN 0.688 nan 8.270 nan 0.000 0.493 458 Q N 0.383 120.227 119.800 0.074 0.000 2.345 458 Q HA 0.246 4.561 4.340 -0.040 0.000 0.268 458 Q C -0.570 175.453 176.000 0.038 0.000 1.054 458 Q CA -0.658 55.175 55.803 0.050 0.000 0.835 458 Q CB 2.432 31.199 28.738 0.048 0.000 1.339 458 Q HN 0.408 nan 8.270 nan 0.000 0.447 459 T N 1.398 115.967 114.554 0.025 0.000 2.889 459 T HA 0.341 4.667 4.350 -0.040 0.000 0.291 459 T C -0.129 174.582 174.700 0.018 0.000 0.995 459 T CA -0.483 61.628 62.100 0.019 0.000 1.092 459 T CB 0.456 69.333 68.868 0.014 0.000 0.954 459 T HN 0.551 nan 8.240 nan 0.000 0.506 460 M N 4.319 123.928 119.600 0.016 0.000 2.239 460 M HA 0.482 4.938 4.480 -0.040 0.000 0.348 460 M C 0.437 176.742 176.300 0.010 0.000 1.239 460 M CA 0.885 56.193 55.300 0.014 0.000 1.114 460 M CB -0.507 32.100 32.600 0.013 0.000 1.641 460 M HN 0.944 nan 8.290 nan 0.000 0.453 461 G N 4.487 113.292 108.800 0.008 0.000 2.368 461 G HA2 0.172 4.108 3.960 -0.040 0.000 0.269 461 G HA3 0.172 4.108 3.960 -0.040 0.000 0.269 461 G C -3.361 171.541 174.900 0.003 0.000 1.291 461 G CA -1.096 44.007 45.100 0.005 0.000 0.903 461 G HN 0.417 nan 8.290 nan 0.000 0.483 462 P HA 0.328 nan 4.420 nan 0.000 0.260 462 P C 0.924 178.223 177.300 -0.001 0.000 1.185 462 P CA 2.354 65.454 63.100 0.000 0.000 0.763 462 P CB 0.625 32.325 31.700 0.000 0.000 0.776 463 G N 3.185 111.983 108.800 -0.003 0.000 2.199 463 G HA2 -0.267 3.669 3.960 -0.040 0.000 0.254 463 G HA3 -0.267 3.669 3.960 -0.040 0.000 0.254 463 G C 0.546 175.442 174.900 -0.006 0.000 0.982 463 G CA 0.268 45.364 45.100 -0.006 0.000 0.632 463 G HN 0.633 nan 8.290 nan 0.000 0.529 464 N N 0.400 119.099 118.700 -0.002 0.000 2.604 464 N HA 0.162 4.878 4.740 -0.040 0.000 0.284 464 N C 1.566 177.079 175.510 0.005 0.000 1.716 464 N CA 0.747 53.797 53.050 0.001 0.000 0.859 464 N CB 0.260 38.751 38.487 0.005 0.000 1.403 464 N HN 0.294 nan 8.380 nan 0.000 0.501 465 E N 0.192 120.393 120.200 0.002 0.000 2.171 465 E HA -0.197 4.129 4.350 -0.040 0.000 0.197 465 E C 0.788 177.391 176.600 0.006 0.000 0.997 465 E CA 1.076 57.478 56.400 0.004 0.000 0.810 465 E CB -0.122 29.579 29.700 0.002 0.000 0.738 465 E HN 0.481 nan 8.360 nan 0.000 0.467 466 R N 0.237 120.741 120.500 0.007 0.000 2.310 466 R HA 0.124 4.440 4.340 -0.040 0.000 0.202 466 R C 0.862 177.172 176.300 0.016 0.000 0.933 466 R CA 0.454 56.560 56.100 0.010 0.000 1.054 466 R CB 0.089 30.394 30.300 0.009 0.000 0.985 466 R HN 0.311 nan 8.270 nan 0.000 0.489 467 G N 2.561 111.372 108.800 0.018 0.000 2.366 467 G HA2 -0.337 3.599 3.960 -0.040 0.000 0.299 467 G HA3 -0.337 3.599 3.960 -0.040 0.000 0.299 467 G C 0.199 175.123 174.900 0.040 0.000 1.020 467 G CA 1.002 46.118 45.100 0.026 0.000 1.026 467 G HN 0.704 nan 8.290 nan 0.000 0.512 468 N N -1.244 117.482 118.700 0.044 0.000 2.227 468 N HA 0.519 5.235 4.740 -0.040 0.000 0.196 468 N C 1.188 176.757 175.510 0.099 0.000 1.142 468 N CA 0.538 53.630 53.050 0.069 0.000 0.887 468 N CB 0.470 38.985 38.487 0.045 0.000 1.022 468 N HN 0.796 nan 8.380 nan 0.000 0.500 469 A N 0.766 123.619 122.820 0.054 0.000 2.407 469 A HA 0.477 4.773 4.320 -0.040 0.000 0.248 469 A C -0.607 177.052 177.584 0.125 0.000 1.082 469 A CA -0.191 51.854 52.037 0.013 0.000 0.785 469 A CB -0.237 18.752 19.000 -0.019 0.000 1.020 469 A HN 0.503 nan 8.150 nan 0.000 0.489 470 F N 0.113 120.057 119.950 -0.010 0.000 2.650 470 F HA 0.731 5.234 4.527 -0.040 0.000 0.310 470 F C -0.375 175.417 175.800 -0.013 0.000 1.112 470 F CA -0.439 57.554 58.000 -0.012 0.000 0.986 470 F CB 0.793 39.785 39.000 -0.013 0.000 1.285 470 F HN 0.584 nan 8.300 nan 0.000 0.440 471 S N 2.004 117.798 115.700 0.155 0.000 2.894 471 S HA 0.867 5.312 4.470 -0.040 0.000 0.298 471 S C -1.208 173.469 174.600 0.128 0.000 1.054 471 S CA -0.738 57.494 58.200 0.053 0.000 0.903 471 S CB 1.388 64.593 63.200 0.009 0.000 1.356 471 S HN 1.106 nan 8.310 nan 0.000 0.626 472 R N 0.567 121.102 120.500 0.058 0.000 2.710 472 R HA 0.595 4.911 4.340 -0.040 0.000 0.270 472 R C -1.946 174.363 176.300 0.016 0.000 1.021 472 R CA -0.913 55.214 56.100 0.045 0.000 0.889 472 R CB 1.304 31.628 30.300 0.040 0.000 1.243 472 R HN 0.711 nan 8.270 nan 0.000 0.464 473 K N 1.761 122.162 120.400 0.002 0.000 2.469 473 K HA 0.575 4.871 4.320 -0.040 0.000 0.254 473 K C -1.195 175.397 176.600 -0.014 0.000 0.939 473 K CA -1.099 55.186 56.287 -0.003 0.000 0.812 473 K CB 2.739 35.239 32.500 -0.000 0.000 1.301 473 K HN 0.649 nan 8.250 nan 0.000 0.433 474 R N 1.334 121.831 120.500 -0.005 0.000 2.561 474 R HA 0.363 4.679 4.340 -0.040 0.000 0.297 474 R C -1.142 175.165 176.300 0.012 0.000 0.969 474 R CA -0.918 55.180 56.100 -0.003 0.000 0.879 474 R CB 2.540 32.842 30.300 0.003 0.000 1.178 474 R HN 0.675 nan 8.270 nan 0.000 0.445 475 T N 1.941 116.508 114.554 0.022 0.000 2.792 475 T HA 0.175 4.501 4.350 -0.040 0.000 0.280 475 T C -0.494 174.242 174.700 0.060 0.000 0.990 475 T CA -0.546 61.577 62.100 0.038 0.000 0.960 475 T CB 1.896 70.789 68.868 0.041 0.000 0.939 475 T HN 0.244 nan 8.240 nan 0.000 0.439 476 V N 5.813 125.761 119.914 0.056 0.000 2.583 476 V HA 0.453 4.549 4.120 -0.040 0.000 0.287 476 V C -0.417 175.721 176.094 0.073 0.000 1.051 476 V CA -0.661 61.679 62.300 0.068 0.000 1.010 476 V CB 0.332 32.189 31.823 0.056 0.000 0.988 476 V HN 0.753 nan 8.190 nan 0.000 0.478 477 L N 7.247 128.524 121.223 0.089 0.000 2.268 477 L HA 0.334 4.649 4.340 -0.040 0.000 0.289 477 L C 1.512 178.427 176.870 0.075 0.000 1.064 477 L CA 0.066 54.957 54.840 0.085 0.000 0.824 477 L CB 1.126 43.245 42.059 0.100 0.000 1.202 477 L HN 0.931 nan 8.230 nan 0.000 0.433 478 T N -0.409 114.183 114.554 0.063 0.000 2.939 478 T HA 0.149 4.474 4.350 -0.040 0.000 0.254 478 T C 0.991 175.727 174.700 0.060 0.000 1.041 478 T CA 0.141 62.276 62.100 0.058 0.000 1.142 478 T CB 0.296 69.193 68.868 0.048 0.000 0.874 478 T HN 0.309 nan 8.240 nan 0.000 0.452 479 R N 0.853 121.388 120.500 0.059 0.000 2.854 479 R HA 0.494 4.809 4.340 -0.040 0.000 0.271 479 R C 0.796 177.137 176.300 0.069 0.000 0.996 479 R CA -0.657 55.479 56.100 0.060 0.000 0.961 479 R CB 1.167 31.496 30.300 0.049 0.000 1.182 479 R HN 0.272 nan 8.270 nan 0.000 0.479 480 E N 0.501 120.749 120.200 0.080 0.000 2.209 480 E HA -0.150 4.176 4.350 -0.040 0.000 0.196 480 E C 1.024 177.671 176.600 0.079 0.000 0.993 480 E CA 1.765 58.224 56.400 0.097 0.000 0.819 480 E CB 0.152 29.921 29.700 0.115 0.000 0.745 480 E HN 0.595 nan 8.360 nan 0.000 0.477 481 S N 0.137 115.873 115.700 0.060 0.000 2.603 481 S HA -0.039 4.406 4.470 -0.040 0.000 0.229 481 S C 1.094 175.708 174.600 0.024 0.000 0.972 481 S CA 0.462 58.687 58.200 0.042 0.000 0.935 481 S CB -0.004 63.218 63.200 0.037 0.000 0.769 481 S HN 0.242 nan 8.310 nan 0.000 0.536 482 E N 0.057 120.274 120.200 0.030 0.000 2.641 482 E HA 0.348 4.674 4.350 -0.040 0.000 0.224 482 E C 0.798 177.407 176.600 0.016 0.000 0.951 482 E CA 0.264 56.677 56.400 0.021 0.000 1.102 482 E CB 0.700 30.422 29.700 0.037 0.000 1.091 482 E HN 0.536 nan 8.360 nan 0.000 0.507 483 A N 1.330 124.162 122.820 0.020 0.000 2.532 483 A HA 0.252 4.548 4.320 -0.040 0.000 0.273 483 A C 0.275 177.805 177.584 -0.090 0.000 1.342 483 A CA -0.045 52.000 52.037 0.014 0.000 0.929 483 A CB 0.074 19.124 19.000 0.083 0.000 1.051 483 A HN 0.008 nan 8.150 nan 0.000 0.521 484 V N 2.616 122.405 119.914 -0.209 0.000 2.275 484 V HA 0.374 4.469 4.120 -0.040 0.000 0.272 484 V C -0.537 175.319 176.094 -0.398 0.000 1.028 484 V CA -0.775 61.197 62.300 -0.546 0.000 0.810 484 V CB 0.590 32.001 31.823 -0.687 0.000 1.043 484 V HN 0.480 nan 8.190 nan 0.000 0.453 485 R N 3.260 123.535 120.500 -0.376 0.000 2.668 485 R HA 0.634 4.950 4.340 -0.040 0.000 0.279 485 R C -0.047 176.189 176.300 -0.106 0.000 0.976 485 R CA -0.675 55.342 56.100 -0.139 0.000 0.978 485 R CB 2.030 32.361 30.300 0.051 0.000 1.133 485 R HN 0.889 nan 8.270 nan 0.000 0.484 486 E N 0.622 120.867 120.200 0.075 0.000 2.235 486 E HA 0.706 5.032 4.350 -0.040 0.000 0.265 486 E C -0.768 176.025 176.600 0.321 0.000 0.940 486 E CA -1.088 55.387 56.400 0.125 0.000 0.819 486 E CB 1.576 31.314 29.700 0.064 0.000 1.206 486 E HN 0.533 nan 8.360 nan 0.000 0.409 487 A N 1.182 124.186 122.820 0.308 0.000 2.313 487 A HA 0.287 4.583 4.320 -0.040 0.000 0.261 487 A C -0.250 177.436 177.584 0.169 0.000 1.090 487 A CA -0.138 52.102 52.037 0.338 0.000 0.807 487 A CB 0.401 19.586 19.000 0.308 0.000 1.055 487 A HN 0.721 nan 8.150 nan 0.000 0.492 488 D N -0.244 120.213 120.400 0.094 0.000 2.752 488 D HA 0.367 4.983 4.640 -0.040 0.000 0.242 488 D C 0.710 177.014 176.300 0.005 0.000 1.295 488 D CA 0.306 54.327 54.000 0.036 0.000 0.846 488 D CB 0.472 41.276 40.800 0.007 0.000 1.454 488 D HN 0.495 nan 8.370 nan 0.000 0.535 489 A N 1.991 124.831 122.820 0.032 0.000 1.978 489 A HA -0.197 4.099 4.320 -0.040 0.000 0.220 489 A C 2.055 179.634 177.584 -0.009 0.000 1.170 489 A CA 1.269 53.318 52.037 0.020 0.000 0.636 489 A CB -0.089 18.936 19.000 0.042 0.000 0.810 489 A HN 0.430 nan 8.150 nan 0.000 0.448 490 R N -0.447 120.047 120.500 -0.010 0.000 2.105 490 R HA -0.091 4.225 4.340 -0.040 0.000 0.239 490 R C 1.764 178.039 176.300 -0.041 0.000 1.135 490 R CA 1.802 57.889 56.100 -0.023 0.000 0.967 490 R CB -0.486 29.805 30.300 -0.015 0.000 0.861 490 R HN 0.675 nan 8.270 nan 0.000 0.442 491 T N -3.293 111.235 114.554 -0.044 0.000 3.223 491 T HA 0.276 4.602 4.350 -0.040 0.000 0.259 491 T C 1.062 175.718 174.700 -0.072 0.000 1.015 491 T CA 0.079 62.145 62.100 -0.056 0.000 0.908 491 T CB 0.734 69.572 68.868 -0.049 0.000 1.054 491 T HN 0.347 nan 8.240 nan 0.000 0.567 492 G N 2.504 111.264 108.800 -0.067 0.000 2.296 492 G HA2 -0.370 3.565 3.960 -0.040 0.000 0.282 492 G HA3 -0.370 3.565 3.960 -0.040 0.000 0.282 492 G C 0.127 174.955 174.900 -0.120 0.000 1.014 492 G CA 0.273 45.333 45.100 -0.067 0.000 0.812 492 G HN 0.921 nan 8.290 nan 0.000 0.508 493 R N 0.661 121.052 120.500 -0.181 0.000 2.504 493 R HA 0.344 4.659 4.340 -0.040 0.000 0.291 493 R C 0.909 176.852 176.300 -0.595 0.000 0.974 493 R CA 1.241 57.112 56.100 -0.382 0.000 1.077 493 R CB 0.101 30.160 30.300 -0.401 0.000 0.926 493 R HN 0.498 nan 8.270 nan 0.000 0.407 494 T N 0.931 115.047 114.554 -0.730 0.000 2.804 494 T HA 0.560 4.885 4.350 -0.040 0.000 0.290 494 T C -1.033 173.116 174.700 -0.918 0.000 1.099 494 T CA -0.979 60.697 62.100 -0.706 0.000 1.011 494 T CB 1.270 69.920 68.868 -0.363 0.000 1.291 494 T HN 0.574 nan 8.240 nan 0.000 0.523 495 W N 0.401 121.651 121.300 -0.083 0.000 2.957 495 W HA 0.608 5.244 4.660 -0.041 0.000 0.336 495 W C -1.326 175.165 176.519 -0.046 0.000 1.087 495 W CA -1.130 56.188 57.345 -0.045 0.000 1.235 495 W CB 1.736 31.176 29.460 -0.033 0.000 1.399 495 W HN 0.593 nan 8.180 nan 0.000 0.480 496 I N 4.025 124.682 120.570 0.144 0.000 2.404 496 I HA 0.326 4.472 4.170 -0.040 0.000 0.293 496 I C -0.359 175.837 176.117 0.131 0.000 0.992 496 I CA -0.969 60.392 61.300 0.102 0.000 1.149 496 I CB 1.500 39.529 38.000 0.050 0.000 1.315 496 I HN 0.070 nan 8.210 nan 0.000 0.446 497 I N 5.837 126.488 120.570 0.134 0.000 2.330 497 I HA 0.302 4.447 4.170 -0.040 0.000 0.289 497 I C 0.227 176.417 176.117 0.121 0.000 1.001 497 I CA 0.244 61.616 61.300 0.120 0.000 1.193 497 I CB 1.256 39.316 38.000 0.101 0.000 1.345 497 I HN 0.574 nan 8.210 nan 0.000 0.461 498 S N 3.983 119.745 115.700 0.102 0.000 2.638 498 S HA 0.576 5.022 4.470 -0.040 0.000 0.302 498 S C -0.606 174.042 174.600 0.080 0.000 1.096 498 S CA -0.940 57.320 58.200 0.100 0.000 0.953 498 S CB 1.937 65.184 63.200 0.078 0.000 1.107 498 S HN 0.507 nan 8.310 nan 0.000 0.503 499 N N 2.073 120.816 118.700 0.072 0.000 2.546 499 N HA 0.354 5.070 4.740 -0.040 0.000 0.238 499 N C -1.959 173.569 175.510 0.030 0.000 0.984 499 N CA -2.336 50.742 53.050 0.047 0.000 0.935 499 N CB 1.339 39.846 38.487 0.034 0.000 1.122 499 N HN 0.393 nan 8.380 nan 0.000 0.510 500 P HA -0.083 nan 4.420 nan 0.000 0.236 500 P C 0.433 177.741 177.300 0.013 0.000 1.172 500 P CA 0.903 64.018 63.100 0.024 0.000 0.759 500 P CB 0.442 32.161 31.700 0.031 0.000 0.843 501 E N -0.397 119.809 120.200 0.009 0.000 2.583 501 E HA 0.079 4.405 4.350 -0.040 0.000 0.213 501 E C -0.516 176.075 176.600 -0.015 0.000 0.989 501 E CA -0.133 56.268 56.400 0.001 0.000 0.991 501 E CB 0.426 30.132 29.700 0.010 0.000 1.040 501 E HN -0.097 nan 8.360 nan 0.000 0.481 502 S N 0.967 116.653 115.700 -0.024 0.000 2.707 502 S HA 0.413 4.859 4.470 -0.040 0.000 0.312 502 S C -0.925 173.636 174.600 -0.066 0.000 1.116 502 S CA -0.727 57.440 58.200 -0.056 0.000 1.078 502 S CB 0.551 63.707 63.200 -0.075 0.000 0.997 502 S HN 0.016 nan 8.310 nan 0.000 0.477 503 K N 3.185 123.544 120.400 -0.068 0.000 2.156 503 K HA 0.420 4.716 4.320 -0.040 0.000 0.254 503 K C 0.132 176.678 176.600 -0.090 0.000 0.950 503 K CA -0.871 55.377 56.287 -0.064 0.000 0.849 503 K CB 1.034 33.509 32.500 -0.042 0.000 1.100 503 K HN 0.774 nan 8.250 nan 0.000 0.434 504 N N 0.510 119.158 118.700 -0.087 0.000 2.366 504 N HA 0.060 4.776 4.740 -0.040 0.000 0.277 504 N C 0.831 176.306 175.510 -0.058 0.000 1.275 504 N CA -0.368 52.626 53.050 -0.094 0.000 0.964 504 N CB 0.291 38.727 38.487 -0.086 0.000 1.167 504 N HN 0.555 nan 8.380 nan 0.000 0.568 505 R N -0.797 119.676 120.500 -0.046 0.000 2.241 505 R HA 0.037 4.353 4.340 -0.040 0.000 0.224 505 R C 0.652 176.937 176.300 -0.025 0.000 1.101 505 R CA 1.063 57.145 56.100 -0.031 0.000 0.995 505 R CB -0.706 29.581 30.300 -0.023 0.000 0.870 505 R HN 0.547 nan 8.270 nan 0.000 0.463 506 L N 1.253 122.462 121.223 -0.024 0.000 2.653 506 L HA 0.143 4.459 4.340 -0.040 0.000 0.232 506 L C 0.243 177.101 176.870 -0.019 0.000 1.169 506 L CA -0.118 54.711 54.840 -0.019 0.000 0.951 506 L CB -0.649 41.401 42.059 -0.016 0.000 1.181 506 L HN 0.417 nan 8.230 nan 0.000 0.460 507 N N 2.205 120.891 118.700 -0.024 0.000 2.735 507 N HA -0.174 4.542 4.740 -0.040 0.000 0.248 507 N C -0.176 175.323 175.510 -0.019 0.000 1.083 507 N CA 0.699 53.736 53.050 -0.022 0.000 0.703 507 N CB -0.190 38.286 38.487 -0.017 0.000 1.005 507 N HN 0.739 nan 8.380 nan 0.000 0.550 508 E N -0.728 119.459 120.200 -0.022 0.000 2.212 508 E HA 0.572 4.898 4.350 -0.040 0.000 0.268 508 E C -2.974 173.615 176.600 -0.019 0.000 0.902 508 E CA -2.277 54.114 56.400 -0.015 0.000 0.779 508 E CB 1.565 31.258 29.700 -0.010 0.000 1.172 508 E HN -0.061 nan 8.360 nan 0.000 0.409 509 P HA -0.094 nan 4.420 nan 0.000 0.262 509 P C -0.016 177.286 177.300 0.003 0.000 1.182 509 P CA -0.089 63.009 63.100 -0.003 0.000 0.761 509 P CB 0.475 32.184 31.700 0.015 0.000 0.795 510 V N 2.003 121.908 119.914 -0.015 0.000 2.963 510 V HA 0.719 4.815 4.120 -0.040 0.000 0.306 510 V C 0.568 176.749 176.094 0.145 0.000 1.077 510 V CA 0.356 62.663 62.300 0.011 0.000 1.124 510 V CB 0.312 32.048 31.823 -0.145 0.000 0.987 510 V HN 0.736 nan 8.190 nan 0.000 0.487 511 G N 1.906 110.849 108.800 0.238 0.000 2.600 511 G HA2 0.601 4.537 3.960 -0.040 0.000 0.293 511 G HA3 0.601 4.537 3.960 -0.040 0.000 0.293 511 G C -2.320 172.718 174.900 0.230 0.000 1.408 511 G CA -0.725 44.513 45.100 0.230 0.000 0.782 511 G HN 0.799 nan 8.290 nan 0.000 0.482 512 Y N -0.066 120.244 120.300 0.017 0.000 2.433 512 Y HA 0.568 5.094 4.550 -0.041 0.000 0.337 512 Y C 0.023 175.925 175.900 0.005 0.000 1.026 512 Y CA -0.818 57.271 58.100 -0.018 0.000 1.037 512 Y CB 2.728 41.145 38.460 -0.073 0.000 1.245 512 Y HN 0.527 nan 8.280 nan 0.000 0.443 513 K N 4.092 124.514 120.400 0.037 0.000 2.213 513 K HA 0.534 4.829 4.320 -0.040 0.000 0.270 513 K C -1.526 175.022 176.600 -0.087 0.000 1.002 513 K CA -0.850 55.401 56.287 -0.060 0.000 0.868 513 K CB 0.919 33.310 32.500 -0.180 0.000 1.093 513 K HN 0.613 nan 8.250 nan 0.000 0.454 514 L N 5.253 126.450 121.223 -0.043 0.000 2.260 514 L HA 0.275 4.591 4.340 -0.040 0.000 0.289 514 L C -1.362 175.464 176.870 -0.073 0.000 1.057 514 L CA 0.069 54.934 54.840 0.042 0.000 0.811 514 L CB 0.421 42.554 42.059 0.122 0.000 1.184 514 L HN 0.655 nan 8.230 nan 0.000 0.429 515 H N 4.677 123.857 119.070 0.182 0.000 2.641 515 H HA 0.680 5.212 4.556 -0.041 0.000 0.295 515 H C 0.079 175.545 175.328 0.231 0.000 1.070 515 H CA -0.065 56.080 56.048 0.162 0.000 1.257 515 H CB 1.130 30.968 29.762 0.126 0.000 1.393 515 H HN 0.899 nan 8.280 nan 0.000 0.464 516 A N 2.259 125.276 122.820 0.327 0.000 2.286 516 A HA 0.164 4.460 4.320 -0.040 0.000 0.286 516 A C 0.481 178.354 177.584 0.482 0.000 1.097 516 A CA -0.515 51.757 52.037 0.392 0.000 0.821 516 A CB 0.432 19.687 19.000 0.425 0.000 1.076 516 A HN 0.996 nan 8.150 nan 0.000 0.490 517 H N 0.717 119.964 119.070 0.295 0.000 2.548 517 H HA -0.007 4.525 4.556 -0.041 0.000 0.268 517 H C -0.092 175.351 175.328 0.192 0.000 0.975 517 H CA 0.290 56.460 56.048 0.202 0.000 1.195 517 H CB 0.169 30.038 29.762 0.179 0.000 1.397 517 H HN 0.764 nan 8.280 nan 0.000 0.572 518 N N 1.895 120.818 118.700 0.371 0.000 2.735 518 N HA -0.167 4.548 4.740 -0.040 0.000 0.248 518 N C -0.461 175.180 175.510 0.219 0.000 1.083 518 N CA 0.560 53.776 53.050 0.277 0.000 0.703 518 N CB -0.876 37.733 38.487 0.204 0.000 1.005 518 N HN 0.532 nan 8.380 nan 0.000 0.550 519 Q N -0.121 119.822 119.800 0.239 0.000 2.471 519 Q HA 0.326 4.642 4.340 -0.040 0.000 0.223 519 Q C -1.818 174.264 176.000 0.136 0.000 1.045 519 Q CA -0.867 55.041 55.803 0.175 0.000 0.956 519 Q CB 0.101 28.951 28.738 0.187 0.000 1.249 519 Q HN 0.147 nan 8.270 nan 0.000 0.549 520 P HA 0.033 nan 4.420 nan 0.000 0.272 520 P C -0.257 177.069 177.300 0.045 0.000 1.223 520 P CA 0.072 63.212 63.100 0.067 0.000 0.784 520 P CB 0.520 32.249 31.700 0.048 0.000 0.923 521 T N -0.151 114.423 114.554 0.034 0.000 2.924 521 T HA 0.312 4.638 4.350 -0.040 0.000 0.301 521 T C 0.280 174.952 174.700 -0.047 0.000 1.120 521 T CA -0.835 61.265 62.100 0.000 0.000 0.940 521 T CB -0.015 68.865 68.868 0.021 0.000 1.591 521 T HN 0.182 nan 8.240 nan 0.000 0.578 522 L N 1.050 122.219 121.223 -0.090 0.000 2.584 522 L HA 0.177 4.493 4.340 -0.040 0.000 0.272 522 L C 0.835 177.669 176.870 -0.060 0.000 1.195 522 L CA 0.226 54.998 54.840 -0.113 0.000 0.920 522 L CB -0.410 41.554 42.059 -0.158 0.000 1.173 522 L HN 0.634 nan 8.230 nan 0.000 0.489 523 L N 4.990 126.180 121.223 -0.054 0.000 2.375 523 L HA 0.208 4.523 4.340 -0.040 0.000 0.215 523 L C 1.468 178.337 176.870 -0.001 0.000 1.108 523 L CA 0.262 55.092 54.840 -0.017 0.000 0.830 523 L CB -0.551 41.502 42.059 -0.009 0.000 0.959 523 L HN 0.840 nan 8.230 nan 0.000 0.457 524 A N 0.749 123.563 122.820 -0.010 0.000 2.583 524 A HA -0.135 4.161 4.320 -0.040 0.000 0.231 524 A C 0.352 177.948 177.584 0.020 0.000 1.065 524 A CA 0.004 52.049 52.037 0.013 0.000 0.760 524 A CB -0.099 18.909 19.000 0.013 0.000 1.001 524 A HN 0.304 nan 8.150 nan 0.000 0.509 525 D N 2.155 122.576 120.400 0.034 0.000 2.472 525 D HA 0.011 4.626 4.640 -0.040 0.000 0.237 525 D C -1.075 175.241 176.300 0.027 0.000 1.141 525 D CA -0.805 53.215 54.000 0.033 0.000 0.875 525 D CB 0.824 41.648 40.800 0.041 0.000 1.192 525 D HN 0.275 nan 8.370 nan 0.000 0.450 526 P HA -0.127 nan 4.420 nan 0.000 0.217 526 P C 1.103 178.415 177.300 0.021 0.000 1.148 526 P CA 1.142 64.254 63.100 0.019 0.000 0.828 526 P CB 0.037 31.748 31.700 0.018 0.000 0.783 527 G N -0.111 108.704 108.800 0.025 0.000 2.920 527 G HA2 -0.000 3.936 3.960 -0.040 0.000 0.208 527 G HA3 -0.000 3.936 3.960 -0.040 0.000 0.208 527 G C 0.683 175.602 174.900 0.031 0.000 1.159 527 G CA 0.164 45.279 45.100 0.024 0.000 0.784 527 G HN 0.465 nan 8.290 nan 0.000 0.535 528 S N -0.410 115.314 115.700 0.041 0.000 2.589 528 S HA 0.235 4.681 4.470 -0.040 0.000 0.265 528 S C 1.665 176.291 174.600 0.043 0.000 1.342 528 S CA 0.471 58.709 58.200 0.063 0.000 1.005 528 S CB 1.590 64.837 63.200 0.079 0.000 0.909 528 S HN 0.157 nan 8.310 nan 0.000 0.555 529 S N 0.841 116.568 115.700 0.044 0.000 2.383 529 S HA -0.129 4.317 4.470 -0.040 0.000 0.227 529 S C 1.677 176.281 174.600 0.007 0.000 1.026 529 S CA 0.950 59.120 58.200 -0.049 0.000 0.981 529 S CB -0.834 62.202 63.200 -0.274 0.000 0.818 529 S HN 0.719 nan 8.310 nan 0.000 0.472 530 I N 2.284 122.904 120.570 0.084 0.000 2.286 530 I HA 0.033 4.178 4.170 -0.040 0.000 0.248 530 I C 2.405 178.556 176.117 0.055 0.000 1.115 530 I CA 1.308 62.677 61.300 0.115 0.000 1.392 530 I CB -1.031 37.039 38.000 0.117 0.000 1.065 530 I HN 0.335 nan 8.210 nan 0.000 0.418 531 A N 0.477 123.313 122.820 0.026 0.000 1.933 531 A HA -0.209 4.087 4.320 -0.040 0.000 0.218 531 A C 2.449 180.035 177.584 0.005 0.000 1.175 531 A CA 1.784 53.820 52.037 -0.002 0.000 0.628 531 A CB -0.591 18.413 19.000 0.007 0.000 0.814 531 A HN 0.498 nan 8.150 nan 0.000 0.444 532 R N -1.003 119.506 120.500 0.014 0.000 2.075 532 R HA 0.042 4.357 4.340 -0.040 0.000 0.226 532 R C 2.349 178.659 176.300 0.018 0.000 1.114 532 R CA 1.141 57.246 56.100 0.009 0.000 0.972 532 R CB -0.228 30.070 30.300 -0.003 0.000 0.869 532 R HN 0.443 nan 8.270 nan 0.000 0.437 533 R N 0.310 120.840 120.500 0.050 0.000 2.148 533 R HA 0.070 4.386 4.340 -0.040 0.000 0.223 533 R C 0.904 177.313 176.300 0.181 0.000 1.088 533 R CA 1.093 57.241 56.100 0.080 0.000 0.985 533 R CB 0.242 30.594 30.300 0.086 0.000 0.880 533 R HN 0.073 nan 8.270 nan 0.000 0.451 534 A N 0.164 123.089 122.820 0.175 0.000 2.985 534 A HA 0.495 4.791 4.320 -0.040 0.000 0.303 534 A C 1.147 178.621 177.584 -0.183 0.000 1.048 534 A CA -0.095 51.999 52.037 0.095 0.000 1.016 534 A CB 0.322 19.296 19.000 -0.043 0.000 1.118 534 A HN 0.230 nan 8.150 nan 0.000 0.529 535 A N 0.251 123.036 122.820 -0.057 0.000 2.024 535 A HA -0.069 4.227 4.320 -0.040 0.000 0.220 535 A C 1.784 179.354 177.584 -0.023 0.000 1.164 535 A CA 1.808 53.825 52.037 -0.035 0.000 0.643 535 A CB -0.975 18.028 19.000 0.004 0.000 0.806 535 A HN 1.376 nan 8.150 nan 0.000 0.451 536 F N -0.215 119.605 119.950 -0.217 0.000 2.202 536 F HA -0.005 4.497 4.527 -0.041 0.000 0.301 536 F C 2.076 177.934 175.800 0.096 0.000 1.082 536 F CA 0.901 58.692 58.000 -0.349 0.000 1.313 536 F CB -0.900 37.776 39.000 -0.540 0.000 1.024 536 F HN 0.147 nan 8.300 nan 0.000 0.495 537 A N 0.543 122.715 122.820 -1.080 0.000 2.168 537 A HA -0.050 4.245 4.320 -0.040 0.000 0.215 537 A C 2.129 179.579 177.584 -0.224 0.000 1.152 537 A CA 1.467 53.052 52.037 -0.753 0.000 0.716 537 A CB -1.521 16.886 19.000 -0.990 0.000 0.794 537 A HN 0.596 nan 8.150 nan 0.000 0.465 538 T N -3.516 110.996 114.554 -0.071 0.000 3.113 538 T HA 0.184 4.509 4.350 -0.040 0.000 0.256 538 T C 0.596 175.329 174.700 0.056 0.000 1.131 538 T CA 0.272 62.378 62.100 0.009 0.000 1.074 538 T CB 0.068 68.957 68.868 0.034 0.000 0.944 538 T HN 0.121 nan 8.240 nan 0.000 0.516 539 K N 0.807 121.292 120.400 0.143 0.000 2.477 539 K HA 0.406 4.702 4.320 -0.040 0.000 0.255 539 K C -0.477 176.186 176.600 0.104 0.000 0.952 539 K CA -0.543 55.752 56.287 0.013 0.000 0.826 539 K CB 2.116 34.400 32.500 -0.359 0.000 1.331 539 K HN -0.064 nan 8.250 nan 0.000 0.437 540 D N 0.196 120.607 120.400 0.018 0.000 2.162 540 D HA 0.012 4.628 4.640 -0.040 0.000 0.203 540 D C -0.026 176.310 176.300 0.059 0.000 0.967 540 D CA 0.739 54.798 54.000 0.098 0.000 0.840 540 D CB 0.347 41.246 40.800 0.166 0.000 0.972 540 D HN 0.116 nan 8.370 nan 0.000 0.482 541 L N -0.279 120.791 121.223 -0.255 0.000 2.431 541 L HA 0.472 4.788 4.340 -0.040 0.000 0.266 541 L C -1.979 174.735 176.870 -0.260 0.000 0.978 541 L CA -0.613 54.042 54.840 -0.307 0.000 0.822 541 L CB 1.567 42.974 42.059 -1.085 0.000 1.310 541 L HN -0.117 nan 8.230 nan 0.000 0.409 542 W N 4.213 125.504 121.300 -0.014 0.000 2.819 542 W HA 0.752 5.388 4.660 -0.041 0.000 0.337 542 W C -1.201 175.437 176.519 0.200 0.000 1.077 542 W CA -0.775 56.611 57.345 0.068 0.000 1.226 542 W CB 2.054 31.542 29.460 0.046 0.000 1.419 542 W HN 0.150 nan 8.180 nan 0.000 0.502 543 V N 2.729 122.865 119.914 0.369 0.000 2.531 543 V HA 0.746 4.841 4.120 -0.040 0.000 0.301 543 V C -0.128 176.170 176.094 0.339 0.000 1.034 543 V CA -0.814 61.682 62.300 0.326 0.000 0.865 543 V CB 1.370 33.299 31.823 0.176 0.000 0.995 543 V HN 0.581 nan 8.190 nan 0.000 0.424 544 T N 1.414 116.210 114.554 0.403 0.000 2.906 544 T HA 0.743 5.069 4.350 -0.040 0.000 0.295 544 T C -0.519 174.330 174.700 0.248 0.000 1.075 544 T CA -0.975 61.322 62.100 0.328 0.000 1.005 544 T CB 2.169 71.286 68.868 0.415 0.000 1.136 544 T HN 0.508 nan 8.240 nan 0.000 0.498 545 R N 0.960 121.561 120.500 0.170 0.000 2.491 545 R HA 0.320 4.636 4.340 -0.040 0.000 0.283 545 R C -0.810 175.564 176.300 0.124 0.000 1.072 545 R CA -0.836 55.343 56.100 0.133 0.000 1.048 545 R CB -0.501 29.850 30.300 0.085 0.000 0.983 545 R HN 0.789 nan 8.270 nan 0.000 0.450 546 Y N 2.885 123.193 120.300 0.013 0.000 2.497 546 Y HA 0.352 4.878 4.550 -0.041 0.000 0.334 546 Y C -0.761 175.097 175.900 -0.069 0.000 1.199 546 Y CA 0.602 58.682 58.100 -0.034 0.000 1.425 546 Y CB 0.596 39.015 38.460 -0.067 0.000 1.291 546 Y HN 0.725 nan 8.280 nan 0.000 0.562 547 A N 4.832 127.049 122.820 -1.006 0.000 2.488 547 A HA 0.259 4.555 4.320 -0.040 0.000 0.295 547 A C -0.114 176.840 177.584 -1.049 0.000 1.045 547 A CA -0.335 51.190 52.037 -0.853 0.000 0.703 547 A CB 0.578 19.297 19.000 -0.468 0.000 1.271 547 A HN 0.839 nan 8.150 nan 0.000 0.400 548 D N 1.590 121.493 120.400 -0.829 0.000 2.351 548 D HA -0.159 4.457 4.640 -0.040 0.000 0.216 548 D C 0.518 176.641 176.300 -0.296 0.000 0.968 548 D CA 1.421 55.144 54.000 -0.463 0.000 0.899 548 D CB 0.085 40.789 40.800 -0.160 0.000 0.907 548 D HN 0.570 nan 8.370 nan 0.000 0.514 549 D N -0.092 120.123 120.400 -0.308 0.000 2.363 549 D HA -0.036 4.580 4.640 -0.040 0.000 0.214 549 D C -0.233 175.891 176.300 -0.294 0.000 1.093 549 D CA -0.202 53.663 54.000 -0.224 0.000 0.837 549 D CB -0.411 40.297 40.800 -0.153 0.000 0.948 549 D HN 0.217 nan 8.370 nan 0.000 0.507 550 E N 0.863 120.807 120.200 -0.427 0.000 2.261 550 E HA 0.313 4.639 4.350 -0.040 0.000 0.239 550 E C 0.486 176.964 176.600 -0.202 0.000 0.991 550 E CA -0.249 55.803 56.400 -0.580 0.000 0.847 550 E CB 1.160 30.280 29.700 -0.967 0.000 1.223 550 E HN 0.090 nan 8.360 nan 0.000 0.446 551 R N 0.981 121.344 120.500 -0.229 0.000 2.195 551 R HA 0.121 4.436 4.340 -0.040 0.000 0.197 551 R C -0.167 175.869 176.300 -0.440 0.000 0.990 551 R CA 0.585 56.407 56.100 -0.464 0.000 1.048 551 R CB 0.584 30.297 30.300 -0.979 0.000 0.997 551 R HN 0.280 nan 8.270 nan 0.000 0.502 552 Y N -0.033 120.405 120.300 0.230 0.000 2.462 552 Y HA 0.295 4.821 4.550 -0.040 0.000 0.346 552 Y C -1.788 174.076 175.900 -0.059 0.000 0.976 552 Y CA -3.113 55.059 58.100 0.121 0.000 1.044 552 Y CB 1.382 39.814 38.460 -0.047 0.000 1.230 552 Y HN -0.154 nan 8.280 nan 0.000 0.455 553 P HA -0.076 nan 4.420 nan 0.000 0.230 553 P C 0.636 177.646 177.300 -0.484 0.000 1.158 553 P CA 1.371 64.087 63.100 -0.640 0.000 0.769 553 P CB 0.216 31.438 31.700 -0.798 0.000 0.807 554 T N -5.020 109.373 114.554 -0.267 0.000 3.010 554 T HA 0.503 4.829 4.350 -0.040 0.000 0.257 554 T C 0.940 175.488 174.700 -0.253 0.000 1.020 554 T CA 0.229 62.216 62.100 -0.189 0.000 0.938 554 T CB 0.207 69.046 68.868 -0.048 0.000 1.049 554 T HN 0.336 nan 8.240 nan 0.000 0.522 555 G N 1.168 109.873 108.800 -0.158 0.000 2.592 555 G HA2 -0.120 3.815 3.960 -0.040 0.000 0.684 555 G HA3 -0.120 3.815 3.960 -0.040 0.000 0.684 555 G C -0.366 174.478 174.900 -0.093 0.000 1.291 555 G CA -0.093 44.931 45.100 -0.127 0.000 0.891 555 G HN 0.098 nan 8.290 nan 0.000 0.544 556 D N -0.672 119.605 120.400 -0.206 0.000 2.194 556 D HA 0.053 4.669 4.640 -0.040 0.000 0.204 556 D C 0.549 176.334 176.300 -0.859 0.000 0.964 556 D CA 1.418 55.111 54.000 -0.511 0.000 0.846 556 D CB 0.089 40.439 40.800 -0.750 0.000 0.962 556 D HN 0.174 nan 8.370 nan 0.000 0.490 557 F N 0.489 120.346 119.950 -0.156 0.000 2.451 557 F HA 0.182 4.684 4.527 -0.041 0.000 0.367 557 F C 1.084 176.781 175.800 -0.171 0.000 1.100 557 F CA -0.592 57.299 58.000 -0.183 0.000 1.171 557 F CB 1.020 39.906 39.000 -0.190 0.000 1.405 557 F HN -0.347 nan 8.300 nan 0.000 0.482 558 V N -0.416 119.434 119.914 -0.106 0.000 2.548 558 V HA -0.177 3.919 4.120 -0.040 0.000 0.249 558 V C 1.296 177.274 176.094 -0.193 0.000 1.055 558 V CA 0.667 62.826 62.300 -0.235 0.000 1.065 558 V CB -0.581 31.021 31.823 -0.368 0.000 0.681 558 V HN 0.621 nan 8.190 nan 0.000 0.462 559 N N 1.482 120.130 118.700 -0.087 0.000 2.374 559 N HA -0.076 4.639 4.740 -0.040 0.000 0.269 559 N C 0.611 176.082 175.510 -0.065 0.000 1.310 559 N CA 0.719 53.727 53.050 -0.069 0.000 0.877 559 N CB -0.234 38.223 38.487 -0.050 0.000 1.096 559 N HN 0.516 nan 8.380 nan 0.000 0.484 560 Q N -0.186 119.566 119.800 -0.079 0.000 2.437 560 Q HA -0.316 4.000 4.340 -0.040 0.000 0.274 560 Q C -0.484 175.458 176.000 -0.097 0.000 1.165 560 Q CA 0.835 56.587 55.803 -0.085 0.000 0.925 560 Q CB -1.558 27.130 28.738 -0.084 0.000 1.327 560 Q HN 0.658 nan 8.270 nan 0.000 0.505 561 H N 0.304 119.281 119.070 -0.155 0.000 2.610 561 H HA 0.176 4.707 4.556 -0.041 0.000 0.336 561 H C 1.215 176.455 175.328 -0.147 0.000 1.087 561 H CA 0.776 56.744 56.048 -0.134 0.000 1.405 561 H CB 1.114 30.801 29.762 -0.126 0.000 1.460 561 H HN 0.269 nan 8.280 nan 0.000 0.538 562 S N 2.816 118.214 115.700 -0.504 0.000 2.399 562 S HA 0.061 4.507 4.470 -0.040 0.000 0.231 562 S C 1.009 175.572 174.600 -0.060 0.000 1.022 562 S CA 0.531 58.578 58.200 -0.255 0.000 0.983 562 S CB 0.014 63.041 63.200 -0.288 0.000 0.803 562 S HN 1.027 nan 8.310 nan 0.000 0.480 563 G N -1.583 107.310 108.800 0.156 0.000 2.307 563 G HA2 0.505 4.441 3.960 -0.040 0.000 0.348 563 G HA3 0.505 4.441 3.960 -0.040 0.000 0.348 563 G C 0.349 175.303 174.900 0.090 0.000 1.603 563 G CA -0.141 45.015 45.100 0.093 0.000 0.961 563 G HN 1.421 nan 8.290 nan 0.000 0.686 564 G N -0.629 108.168 108.800 -0.005 0.000 2.162 564 G HA2 0.050 3.986 3.960 -0.040 0.000 0.260 564 G HA3 0.050 3.986 3.960 -0.040 0.000 0.260 564 G C 1.799 176.604 174.900 -0.158 0.000 0.976 564 G CA 1.613 46.675 45.100 -0.063 0.000 0.655 564 G HN 2.437 nan 8.290 nan 0.000 0.533 565 A N -0.568 122.106 122.820 -0.242 0.000 1.927 565 A HA 0.262 4.558 4.320 -0.040 0.000 0.220 565 A C 2.416 179.708 177.584 -0.486 0.000 1.185 565 A CA 2.733 54.495 52.037 -0.458 0.000 0.639 565 A CB -0.655 17.808 19.000 -0.894 0.000 0.820 565 A HN 1.804 nan 8.150 nan 0.000 0.451 566 G N -1.854 106.585 108.800 -0.601 0.000 2.727 566 G HA2 0.330 4.265 3.960 -0.040 0.000 0.212 566 G HA3 0.330 4.265 3.960 -0.040 0.000 0.212 566 G C 1.192 175.200 174.900 -1.486 0.000 2.076 566 G CA 0.201 44.647 45.100 -1.090 0.000 0.744 566 G HN 0.240 nan 8.290 nan 0.000 0.775 567 L N 1.500 121.977 121.223 -1.243 0.000 2.030 567 L HA -0.162 4.154 4.340 -0.040 0.000 0.222 567 L C -0.047 176.444 176.870 -0.632 0.000 1.082 567 L CA 2.106 56.291 54.840 -1.091 0.000 0.785 567 L CB -1.081 40.080 42.059 -1.496 0.000 0.895 567 L HN 0.257 nan 8.230 nan 0.000 0.439 568 P HA -0.132 nan 4.420 nan 0.000 0.218 568 P C 1.812 179.040 177.300 -0.119 0.000 1.149 568 P CA 1.367 64.391 63.100 -0.127 0.000 0.817 568 P CB 0.113 31.764 31.700 -0.082 0.000 0.785 569 S N -2.008 113.541 115.700 -0.252 0.000 2.357 569 S HA -0.132 4.314 4.470 -0.040 0.000 0.221 569 S C 1.742 176.350 174.600 0.013 0.000 1.031 569 S CA 0.877 59.000 58.200 -0.129 0.000 0.982 569 S CB -0.877 62.223 63.200 -0.166 0.000 0.853 569 S HN -0.029 nan 8.310 nan 0.000 0.458 570 Y N 1.832 122.067 120.300 -0.107 0.000 2.097 570 Y HA -0.038 4.488 4.550 -0.040 0.000 0.282 570 Y C 2.381 178.266 175.900 -0.024 0.000 1.152 570 Y CA 0.007 58.056 58.100 -0.085 0.000 1.136 570 Y CB -1.167 37.204 38.460 -0.150 0.000 0.975 570 Y HN 0.230 nan 8.280 nan 0.000 0.498 571 I N 0.148 120.811 120.570 0.156 0.000 2.423 571 I HA -0.270 3.875 4.170 -0.040 0.000 0.254 571 I C 2.406 178.590 176.117 0.112 0.000 1.151 571 I CA 1.415 62.810 61.300 0.157 0.000 1.421 571 I CB -1.582 36.555 38.000 0.229 0.000 1.079 571 I HN 0.169 nan 8.210 nan 0.000 0.431 572 A N -0.003 122.867 122.820 0.085 0.000 2.070 572 A HA -0.204 4.092 4.320 -0.040 0.000 0.220 572 A C 2.135 179.755 177.584 0.059 0.000 1.159 572 A CA 1.009 53.083 52.037 0.062 0.000 0.656 572 A CB -0.487 18.538 19.000 0.042 0.000 0.800 572 A HN 0.538 nan 8.150 nan 0.000 0.453 573 Q N -1.301 118.541 119.800 0.070 0.000 2.297 573 Q HA -0.098 4.217 4.340 -0.040 0.000 0.204 573 Q C 0.039 176.070 176.000 0.053 0.000 0.962 573 Q CA 0.513 56.350 55.803 0.056 0.000 0.879 573 Q CB -0.043 28.728 28.738 0.054 0.000 0.947 573 Q HN 0.577 nan 8.270 nan 0.000 0.462 574 D N 0.786 121.224 120.400 0.064 0.000 2.689 574 D HA -0.162 4.454 4.640 -0.040 0.000 0.237 574 D C -0.849 175.484 176.300 0.054 0.000 1.148 574 D CA 0.629 54.664 54.000 0.059 0.000 0.656 574 D CB -0.574 40.255 40.800 0.047 0.000 1.050 574 D HN 0.232 nan 8.370 nan 0.000 0.426 575 R N 0.175 120.711 120.500 0.060 0.000 2.583 575 R HA 0.380 4.695 4.340 -0.040 0.000 0.268 575 R C 0.220 176.556 176.300 0.060 0.000 1.101 575 R CA -0.559 55.574 56.100 0.054 0.000 1.180 575 R CB 0.380 30.711 30.300 0.051 0.000 1.128 575 R HN 0.135 nan 8.270 nan 0.000 0.568 576 D N 1.214 121.647 120.400 0.054 0.000 2.325 576 D HA 0.078 4.694 4.640 -0.040 0.000 0.251 576 D C 0.606 176.947 176.300 0.068 0.000 1.196 576 D CA -0.179 53.855 54.000 0.056 0.000 0.866 576 D CB 0.555 41.383 40.800 0.047 0.000 1.101 576 D HN 0.535 nan 8.370 nan 0.000 0.476 577 I N -0.022 120.593 120.570 0.076 0.000 4.082 577 I HA 0.327 4.473 4.170 -0.040 0.000 0.337 577 I C 0.397 176.562 176.117 0.081 0.000 1.352 577 I CA -0.391 60.962 61.300 0.088 0.000 1.097 577 I CB 0.366 38.429 38.000 0.104 0.000 1.048 577 I HN 0.125 nan 8.210 nan 0.000 0.393 578 D N 3.145 123.586 120.400 0.069 0.000 2.470 578 D HA 0.303 4.919 4.640 -0.040 0.000 0.226 578 D C 1.120 177.456 176.300 0.060 0.000 1.196 578 D CA 0.757 54.795 54.000 0.063 0.000 0.979 578 D CB 0.081 40.914 40.800 0.054 0.000 1.059 578 D HN 0.578 nan 8.370 nan 0.000 0.515 579 G N 2.959 111.799 108.800 0.066 0.000 2.207 579 G HA2 -0.179 3.757 3.960 -0.040 0.000 0.216 579 G HA3 -0.179 3.757 3.960 -0.040 0.000 0.216 579 G C 0.017 174.958 174.900 0.069 0.000 1.053 579 G CA -0.381 44.756 45.100 0.062 0.000 0.764 579 G HN 0.471 nan 8.290 nan 0.000 0.495 580 Q N -0.587 119.263 119.800 0.082 0.000 2.633 580 Q HA 0.445 4.761 4.340 -0.040 0.000 0.292 580 Q C -0.901 175.167 176.000 0.114 0.000 1.089 580 Q CA -0.901 54.955 55.803 0.089 0.000 0.811 580 Q CB 0.934 29.721 28.738 0.082 0.000 1.472 580 Q HN 0.213 nan 8.270 nan 0.000 0.464 581 D N 1.744 122.213 120.400 0.114 0.000 2.344 581 D HA 0.297 4.912 4.640 -0.040 0.000 0.253 581 D C -0.394 175.993 176.300 0.145 0.000 1.255 581 D CA 0.027 54.103 54.000 0.127 0.000 0.894 581 D CB -0.250 40.550 40.800 0.000 0.000 1.067 581 D HN 0.444 nan 8.370 nan 0.000 0.492 582 I N 0.037 120.694 120.570 0.145 0.000 3.067 582 I HA 0.700 4.846 4.170 -0.040 0.000 0.312 582 I C -1.023 175.157 176.117 0.104 0.000 1.073 582 I CA -1.107 60.277 61.300 0.140 0.000 1.016 582 I CB 2.223 40.299 38.000 0.125 0.000 1.227 582 I HN -0.061 nan 8.210 nan 0.000 0.456 583 V N 3.220 123.194 119.914 0.101 0.000 2.638 583 V HA 0.419 4.514 4.120 -0.040 0.000 0.306 583 V C -0.258 175.805 176.094 -0.052 0.000 1.052 583 V CA -0.657 61.611 62.300 -0.054 0.000 0.885 583 V CB 1.882 33.626 31.823 -0.133 0.000 0.999 583 V HN 0.563 nan 8.190 nan 0.000 0.424 584 V N 3.657 123.482 119.914 -0.148 0.000 2.427 584 V HA 0.476 4.572 4.120 -0.040 0.000 0.286 584 V C -1.135 174.889 176.094 -0.118 0.000 1.034 584 V CA -0.453 61.836 62.300 -0.019 0.000 0.893 584 V CB 1.671 33.484 31.823 -0.015 0.000 0.982 584 V HN 0.917 nan 8.190 nan 0.000 0.452 585 W N 4.039 125.391 121.300 0.088 0.000 2.362 585 W HA 0.499 5.135 4.660 -0.041 0.000 0.316 585 W C -0.155 176.463 176.519 0.165 0.000 1.024 585 W CA -0.614 56.784 57.345 0.088 0.000 1.270 585 W CB 0.531 30.021 29.460 0.049 0.000 1.273 585 W HN 0.577 nan 8.180 nan 0.000 0.424 586 H N 1.823 120.973 119.070 0.134 0.000 2.556 586 H HA 0.467 4.999 4.556 -0.040 0.000 0.310 586 H C -0.333 175.162 175.328 0.278 0.000 1.057 586 H CA -0.302 55.781 56.048 0.059 0.000 1.264 586 H CB 0.914 30.498 29.762 -0.297 0.000 1.404 586 H HN 0.177 nan 8.280 nan 0.000 0.462 587 T N 7.432 122.005 114.554 0.032 0.000 2.771 587 T HA 0.406 4.732 4.350 -0.040 0.000 0.291 587 T C -0.967 173.655 174.700 -0.130 0.000 0.954 587 T CA -0.210 61.933 62.100 0.072 0.000 1.045 587 T CB -0.416 68.603 68.868 0.252 0.000 0.917 587 T HN 0.499 nan 8.240 nan 0.000 0.484 588 F N 0.168 120.017 119.950 -0.168 0.000 2.615 588 F HA 0.818 5.321 4.527 -0.040 0.000 0.312 588 F C -0.290 175.612 175.800 0.170 0.000 1.119 588 F CA -1.094 56.860 58.000 -0.077 0.000 0.979 588 F CB 1.001 39.901 39.000 -0.166 0.000 1.266 588 F HN 0.768 nan 8.300 nan 0.000 0.444 589 G N 2.168 111.070 108.800 0.171 0.000 2.600 589 G HA2 0.597 4.533 3.960 -0.040 0.000 0.293 589 G HA3 0.597 4.533 3.960 -0.040 0.000 0.293 589 G C -2.329 172.665 174.900 0.158 0.000 1.408 589 G CA -1.192 44.016 45.100 0.180 0.000 0.782 589 G HN 0.828 nan 8.290 nan 0.000 0.482 590 L N 0.479 121.790 121.223 0.146 0.000 2.309 590 L HA 0.540 4.856 4.340 -0.040 0.000 0.282 590 L C 0.011 176.873 176.870 -0.014 0.000 1.036 590 L CA -0.600 54.280 54.840 0.066 0.000 0.806 590 L CB 2.059 44.138 42.059 0.033 0.000 1.220 590 L HN 0.386 nan 8.230 nan 0.000 0.429 591 T N 1.063 115.566 114.554 -0.085 0.000 2.801 591 T HA 0.205 4.531 4.350 -0.040 0.000 0.306 591 T C -0.513 173.981 174.700 -0.343 0.000 1.020 591 T CA -0.241 61.708 62.100 -0.251 0.000 0.948 591 T CB -0.112 68.631 68.868 -0.209 0.000 0.962 591 T HN 0.411 nan 8.240 nan 0.000 0.465 592 H N 3.107 121.804 119.070 -0.622 0.000 2.594 592 H HA 0.373 4.905 4.556 -0.039 0.000 0.304 592 H C -1.048 173.828 175.328 -0.754 0.000 1.068 592 H CA -1.005 54.683 56.048 -0.599 0.000 1.308 592 H CB 0.321 29.716 29.762 -0.612 0.000 1.409 592 H HN 0.433 nan 8.280 nan 0.000 0.460 593 F N 6.798 126.683 119.950 -0.109 0.000 2.359 593 F HA 0.272 4.774 4.527 -0.042 0.000 0.370 593 F C -2.047 173.760 175.800 0.011 0.000 1.077 593 F CA -2.483 55.306 58.000 -0.351 0.000 1.136 593 F CB 0.842 39.496 39.000 -0.576 0.000 1.387 593 F HN 0.527 nan 8.300 nan 0.000 0.468 594 P HA 0.045 nan 4.420 nan 0.000 0.266 594 P C -0.426 177.003 177.300 0.215 0.000 1.193 594 P CA -0.028 63.135 63.100 0.105 0.000 0.770 594 P CB 0.574 32.256 31.700 -0.029 0.000 0.836 595 R N 1.098 121.731 120.500 0.221 0.000 2.892 595 R HA 0.438 4.753 4.340 -0.040 0.000 0.265 595 R C 0.424 176.816 176.300 0.153 0.000 1.025 595 R CA -0.859 55.336 56.100 0.158 0.000 0.982 595 R CB 0.317 30.699 30.300 0.138 0.000 1.185 595 R HN 0.067 nan 8.270 nan 0.000 0.484 596 V N 1.217 121.198 119.914 0.112 0.000 2.453 596 V HA -0.260 3.835 4.120 -0.040 0.000 0.252 596 V C 2.004 178.198 176.094 0.167 0.000 1.068 596 V CA 2.253 64.630 62.300 0.129 0.000 1.070 596 V CB -0.809 31.063 31.823 0.082 0.000 0.664 596 V HN 0.851 nan 8.190 nan 0.000 0.461 597 E N -0.393 119.883 120.200 0.127 0.000 2.511 597 E HA -0.154 4.172 4.350 -0.040 0.000 0.196 597 E C 0.979 177.647 176.600 0.114 0.000 1.066 597 E CA 0.665 57.128 56.400 0.106 0.000 0.871 597 E CB -0.344 29.396 29.700 0.066 0.000 0.863 597 E HN 0.565 nan 8.360 nan 0.000 0.520 598 D N -0.179 120.327 120.400 0.175 0.000 2.347 598 D HA -0.027 4.589 4.640 -0.040 0.000 0.213 598 D C -0.143 176.282 176.300 0.208 0.000 0.985 598 D CA 0.286 54.401 54.000 0.190 0.000 0.879 598 D CB 0.117 41.092 40.800 0.291 0.000 0.919 598 D HN 0.275 nan 8.370 nan 0.000 0.526 599 W N 2.340 123.672 121.300 0.054 0.000 2.551 599 W HA 0.197 4.832 4.660 -0.042 0.000 0.330 599 W C -1.803 174.756 176.519 0.067 0.000 1.063 599 W CA -1.946 55.435 57.345 0.059 0.000 1.222 599 W CB 1.980 31.477 29.460 0.061 0.000 1.349 599 W HN -0.177 nan 8.180 nan 0.000 0.536 600 P HA 0.049 nan 4.420 nan 0.000 0.224 600 P C 0.158 176.970 177.300 -0.813 0.000 1.157 600 P CA 1.000 63.219 63.100 -1.468 0.000 0.799 600 P CB 1.469 32.666 31.700 -0.839 0.000 0.809 601 I N 0.632 120.915 120.570 -0.478 0.000 2.499 601 I HA 0.279 4.425 4.170 -0.040 0.000 0.288 601 I C -0.149 175.814 176.117 -0.257 0.000 1.048 601 I CA -1.861 59.154 61.300 -0.474 0.000 1.062 601 I CB 2.232 39.710 38.000 -0.869 0.000 1.238 601 I HN -0.228 nan 8.210 nan 0.000 0.426 602 M N 8.728 128.232 119.600 -0.160 0.000 2.217 602 M HA 0.564 5.020 4.480 -0.040 0.000 0.354 602 M C -2.604 173.645 176.300 -0.086 0.000 1.225 602 M CA -1.027 54.237 55.300 -0.060 0.000 1.137 602 M CB 0.533 33.150 32.600 0.029 0.000 1.576 602 M HN 0.199 nan 8.290 nan 0.000 0.461 603 P HA 0.190 nan 4.420 nan 0.000 0.275 603 P C -0.778 176.488 177.300 -0.056 0.000 1.228 603 P CA -0.574 62.490 63.100 -0.059 0.000 0.786 603 P CB 0.812 32.488 31.700 -0.040 0.000 0.927 604 V N 2.812 122.698 119.914 -0.047 0.000 2.617 604 V HA -0.024 4.072 4.120 -0.040 0.000 0.304 604 V C 0.630 176.687 176.094 -0.062 0.000 1.040 604 V CA 1.044 63.320 62.300 -0.039 0.000 1.149 604 V CB -0.114 31.706 31.823 -0.005 0.000 0.914 604 V HN 0.596 nan 8.190 nan 0.000 0.487 605 D N 2.430 122.777 120.400 -0.089 0.000 2.350 605 D HA 0.737 5.352 4.640 -0.040 0.000 0.238 605 D C -0.238 176.009 176.300 -0.088 0.000 0.989 605 D CA -0.157 53.782 54.000 -0.102 0.000 0.921 605 D CB 2.325 43.024 40.800 -0.167 0.000 1.297 605 D HN 0.757 nan 8.370 nan 0.000 0.490 606 T N -1.467 113.046 114.554 -0.067 0.000 2.896 606 T HA 0.772 5.098 4.350 -0.040 0.000 0.297 606 T C -0.709 173.987 174.700 -0.006 0.000 1.108 606 T CA -0.652 61.406 62.100 -0.070 0.000 1.004 606 T CB 1.087 69.904 68.868 -0.086 0.000 1.159 606 T HN 0.275 nan 8.240 nan 0.000 0.499 607 V N -1.409 118.481 119.914 -0.040 0.000 3.206 607 V HA 1.050 5.146 4.120 -0.040 0.000 0.305 607 V C 0.406 176.407 176.094 -0.155 0.000 1.257 607 V CA -0.250 62.078 62.300 0.047 0.000 1.057 607 V CB 1.165 33.101 31.823 0.188 0.000 1.075 607 V HN 1.666 nan 8.190 nan 0.000 0.443 608 G N 0.174 108.699 108.800 -0.458 0.000 2.356 608 G HA2 0.787 4.723 3.960 -0.040 0.000 0.281 608 G HA3 0.787 4.723 3.960 -0.040 0.000 0.281 608 G C -1.640 172.696 174.900 -0.940 0.000 1.246 608 G CA 0.214 44.888 45.100 -0.710 0.000 0.889 608 G HN 2.063 nan 8.290 nan 0.000 0.486 609 F N -1.274 118.315 119.950 -0.602 0.000 2.926 609 F HA 0.870 5.373 4.527 -0.041 0.000 0.321 609 F C -1.064 174.718 175.800 -0.029 0.000 1.168 609 F CA -0.792 57.052 58.000 -0.260 0.000 0.890 609 F CB 1.469 40.340 39.000 -0.214 0.000 1.357 609 F HN 0.899 nan 8.300 nan 0.000 0.468 610 K N 0.645 121.154 120.400 0.182 0.000 2.579 610 K HA 0.812 5.108 4.320 -0.040 0.000 0.284 610 K C -2.552 174.254 176.600 0.344 0.000 0.990 610 K CA -1.054 55.319 56.287 0.145 0.000 0.880 610 K CB 2.460 35.038 32.500 0.130 0.000 1.488 610 K HN 0.767 nan 8.250 nan 0.000 0.425 611 L N 1.069 122.496 121.223 0.340 0.000 2.410 611 L HA 0.600 4.915 4.340 -0.040 0.000 0.270 611 L C -0.707 176.396 176.870 0.389 0.000 0.983 611 L CA -0.590 54.475 54.840 0.376 0.000 0.822 611 L CB 2.223 44.538 42.059 0.426 0.000 1.285 611 L HN 0.582 nan 8.230 nan 0.000 0.409 612 R N 2.781 123.423 120.500 0.236 0.000 2.670 612 R HA 0.540 4.856 4.340 -0.040 0.000 0.289 612 R C -2.586 173.442 176.300 -0.453 0.000 0.965 612 R CA -1.876 54.244 56.100 0.033 0.000 0.899 612 R CB 1.893 32.271 30.300 0.130 0.000 1.173 612 R HN 0.309 nan 8.270 nan 0.000 0.456 613 P HA -0.049 nan 4.420 nan 0.000 0.264 613 P C -0.776 176.301 177.300 -0.372 0.000 1.193 613 P CA 0.196 62.640 63.100 -1.094 0.000 0.763 613 P CB 0.832 32.229 31.700 -0.504 0.000 0.810 614 E N 2.667 122.714 120.200 -0.255 0.000 2.683 614 E HA 0.431 4.757 4.350 -0.040 0.000 0.224 614 E C 0.739 177.335 176.600 -0.007 0.000 1.046 614 E CA -0.500 55.856 56.400 -0.072 0.000 0.811 614 E CB -0.766 28.909 29.700 -0.042 0.000 1.296 614 E HN 0.675 nan 8.360 nan 0.000 0.421 615 G N 3.422 112.229 108.800 0.013 0.000 2.198 615 G HA2 -0.342 3.594 3.960 -0.040 0.000 0.257 615 G HA3 -0.342 3.594 3.960 -0.040 0.000 0.257 615 G C 0.346 175.256 174.900 0.017 0.000 1.042 615 G CA 0.431 45.545 45.100 0.022 0.000 0.791 615 G HN 0.530 nan 8.290 nan 0.000 0.502 616 F N -0.011 119.830 119.950 -0.181 0.000 2.179 616 F HA 0.498 5.000 4.527 -0.040 0.000 0.292 616 F C 1.397 176.958 175.800 -0.398 0.000 1.089 616 F CA 0.337 58.134 58.000 -0.339 0.000 1.295 616 F CB 0.065 38.736 39.000 -0.549 0.000 1.041 616 F HN 0.123 nan 8.300 nan 0.000 0.487 617 F N 0.654 120.615 119.950 0.019 0.000 2.380 617 F HA 0.213 4.715 4.527 -0.041 0.000 0.319 617 F C 1.446 177.203 175.800 -0.072 0.000 1.113 617 F CA -0.697 57.262 58.000 -0.069 0.000 1.056 617 F CB 0.254 39.227 39.000 -0.046 0.000 1.289 617 F HN -0.216 nan 8.300 nan 0.000 0.515 618 D N -0.051 120.432 120.400 0.137 0.000 2.349 618 D HA 0.056 4.672 4.640 -0.040 0.000 0.215 618 D C 0.484 176.811 176.300 0.045 0.000 1.016 618 D CA 0.598 54.629 54.000 0.051 0.000 0.870 618 D CB 0.291 41.104 40.800 0.021 0.000 0.917 618 D HN 0.528 nan 8.370 nan 0.000 0.524 619 R N -1.875 118.663 120.500 0.063 0.000 2.855 619 R HA 0.226 4.542 4.340 -0.040 0.000 0.274 619 R C -0.785 175.510 176.300 -0.009 0.000 0.997 619 R CA -0.741 55.370 56.100 0.018 0.000 0.856 619 R CB 0.391 30.689 30.300 -0.004 0.000 1.378 619 R HN -0.187 nan 8.270 nan 0.000 0.462 620 S N 1.330 117.004 115.700 -0.044 0.000 2.546 620 S HA 0.103 4.549 4.470 -0.040 0.000 0.290 620 S C -1.268 173.227 174.600 -0.174 0.000 1.262 620 S CA -0.994 57.150 58.200 -0.093 0.000 1.083 620 S CB 0.482 63.648 63.200 -0.056 0.000 0.859 620 S HN 0.472 nan 8.310 nan 0.000 0.495 621 P HA 0.048 nan 4.420 nan 0.000 0.245 621 P C 0.605 177.774 177.300 -0.220 0.000 1.212 621 P CA 0.397 63.187 63.100 -0.515 0.000 0.774 621 P CB -0.212 30.663 31.700 -1.375 0.000 0.999 622 V N -4.313 115.527 119.914 -0.122 0.000 3.043 622 V HA 0.225 4.320 4.120 -0.040 0.000 0.357 622 V C 1.644 177.751 176.094 0.022 0.000 1.372 622 V CA -0.097 62.188 62.300 -0.025 0.000 1.214 622 V CB -0.855 30.979 31.823 0.018 0.000 1.224 622 V HN -0.121 nan 8.190 nan 0.000 0.507 623 L N 1.231 122.459 121.223 0.008 0.000 2.291 623 L HA 0.005 4.321 4.340 -0.040 0.000 0.214 623 L C 2.213 179.117 176.870 0.056 0.000 1.120 623 L CA 1.532 56.399 54.840 0.045 0.000 0.799 623 L CB -0.318 41.746 42.059 0.009 0.000 0.925 623 L HN 0.552 nan 8.230 nan 0.000 0.446 624 D N 0.317 120.732 120.400 0.024 0.000 2.340 624 D HA -0.029 4.586 4.640 -0.040 0.000 0.220 624 D C 0.781 177.089 176.300 0.013 0.000 1.039 624 D CA 0.031 54.041 54.000 0.018 0.000 0.866 624 D CB -0.641 40.158 40.800 -0.001 0.000 0.913 624 D HN 0.158 nan 8.370 nan 0.000 0.523 625 V N -0.940 118.986 119.914 0.020 0.000 2.655 625 V HA 0.318 4.414 4.120 -0.040 0.000 0.300 625 V C -1.987 174.109 176.094 0.003 0.000 1.044 625 V CA -1.459 60.843 62.300 0.004 0.000 1.095 625 V CB 0.345 32.174 31.823 0.009 0.000 0.952 625 V HN -0.063 nan 8.190 nan 0.000 0.485 626 P HA 0.307 nan 4.420 nan 0.000 0.274 626 P C 0.512 177.787 177.300 -0.043 0.000 1.256 626 P CA 0.083 63.174 63.100 -0.015 0.000 0.795 626 P CB 1.473 33.165 31.700 -0.012 0.000 1.038 627 A N 0.493 123.282 122.820 -0.051 0.000 1.898 627 A HA -0.019 4.277 4.320 -0.040 0.000 0.214 627 A C 0.706 178.255 177.584 -0.059 0.000 1.183 627 A CA 0.968 52.952 52.037 -0.088 0.000 0.622 627 A CB -0.992 17.963 19.000 -0.074 0.000 0.824 627 A HN 0.706 nan 8.150 nan 0.000 0.444 628 N N 0.000 118.681 118.700 -0.032 0.000 1.763 628 N HA 0.000 4.716 4.740 -0.040 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667