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 3cw9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSGTTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.333 176.300 0.055 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.628 32.600 0.046 0.000 1.302 2 Q N 2.166 122.004 119.800 0.064 0.000 2.357 2 Q HA 0.510 4.851 4.340 0.000 0.000 0.266 2 Q C -0.753 175.312 176.000 0.110 0.000 1.021 2 Q CA -0.480 55.369 55.803 0.077 0.000 0.784 2 Q CB 1.998 30.776 28.738 0.067 0.000 1.243 2 Q HN 0.831 nan 8.270 nan 0.000 0.465 3 T N -1.556 113.084 114.554 0.144 0.000 2.754 3 T HA 0.140 4.490 4.350 0.000 0.000 0.286 3 T C 1.436 176.296 174.700 0.266 0.000 0.997 3 T CA -0.697 61.541 62.100 0.230 0.000 0.982 3 T CB 0.769 69.800 68.868 0.272 0.000 1.027 3 T HN 0.317 nan 8.240 nan 0.000 0.529 4 V N 1.590 121.720 119.914 0.360 0.000 2.287 4 V HA -0.189 3.931 4.120 0.000 0.000 0.248 4 V C 2.861 179.151 176.094 0.327 0.000 1.053 4 V CA 2.464 64.933 62.300 0.282 0.000 1.027 4 V CB -1.409 30.517 31.823 0.172 0.000 0.646 4 V HN 0.989 nan 8.190 nan 0.000 0.447 5 N N -0.058 118.974 118.700 0.552 0.000 2.104 5 N HA -0.222 4.519 4.740 0.000 0.000 0.190 5 N C 1.805 177.423 175.510 0.179 0.000 1.024 5 N CA 1.630 54.876 53.050 0.326 0.000 0.853 5 N CB -0.141 38.427 38.487 0.135 0.000 1.008 5 N HN 0.429 nan 8.380 nan 0.000 0.424 6 E N 0.079 120.378 120.200 0.165 0.000 2.072 6 E HA -0.050 4.300 4.350 0.000 0.000 0.191 6 E C 1.962 178.619 176.600 0.095 0.000 0.985 6 E CA 1.142 57.606 56.400 0.106 0.000 0.801 6 E CB -0.196 29.561 29.700 0.095 0.000 0.750 6 E HN 0.433 nan 8.360 nan 0.000 0.452 7 M N -0.390 119.275 119.600 0.109 0.000 2.108 7 M HA -0.172 4.309 4.480 0.000 0.000 0.261 7 M C 2.081 178.432 176.300 0.084 0.000 1.066 7 M CA 1.351 56.702 55.300 0.085 0.000 1.107 7 M CB -0.249 32.399 32.600 0.080 0.000 1.356 7 M HN 0.157 nan 8.290 nan 0.000 0.406 8 L N -1.304 119.978 121.223 0.100 0.000 2.131 8 L HA -0.124 4.217 4.340 0.000 0.000 0.206 8 L C 2.609 179.546 176.870 0.111 0.000 1.087 8 L CA 0.798 55.702 54.840 0.107 0.000 0.767 8 L CB -0.709 41.407 42.059 0.095 0.000 0.917 8 L HN 0.324 nan 8.230 nan 0.000 0.441 9 R N 0.757 121.313 120.500 0.094 0.000 2.073 9 R HA -0.156 4.184 4.340 0.000 0.000 0.234 9 R C 2.492 178.827 176.300 0.059 0.000 1.134 9 R CA 1.497 57.641 56.100 0.073 0.000 0.952 9 R CB -0.037 30.298 30.300 0.059 0.000 0.850 9 R HN 0.267 nan 8.270 nan 0.000 0.433 10 R N -0.204 120.327 120.500 0.052 0.000 2.081 10 R HA -0.078 4.262 4.340 0.000 0.000 0.235 10 R C 2.352 178.666 176.300 0.024 0.000 1.131 10 R CA 1.297 57.416 56.100 0.032 0.000 0.960 10 R CB -0.363 29.953 30.300 0.026 0.000 0.856 10 R HN 0.262 nan 8.270 nan 0.000 0.436 11 A N 1.349 124.192 122.820 0.038 0.000 1.908 11 A HA -0.166 4.154 4.320 0.000 0.000 0.218 11 A C 2.346 179.891 177.584 -0.065 0.000 1.181 11 A CA 1.858 53.892 52.037 -0.005 0.000 0.627 11 A CB -0.622 18.411 19.000 0.054 0.000 0.818 11 A HN 0.415 nan 8.150 nan 0.000 0.445 12 A N -0.569 122.285 122.820 0.056 0.000 2.014 12 A HA -0.011 4.309 4.320 0.000 0.000 0.218 12 A C 2.351 179.955 177.584 0.033 0.000 1.163 12 A CA 2.182 54.270 52.037 0.084 0.000 0.652 12 A CB -1.127 17.955 19.000 0.136 0.000 0.808 12 A HN 0.781 nan 8.150 nan 0.000 0.449 13 T N -2.595 111.970 114.554 0.019 0.000 2.942 13 T HA -0.046 4.305 4.350 0.000 0.000 0.265 13 T C 1.903 176.600 174.700 -0.005 0.000 1.062 13 T CA 1.098 63.205 62.100 0.010 0.000 1.139 13 T CB -0.247 68.626 68.868 0.010 0.000 0.883 13 T HN 0.515 nan 8.240 nan 0.000 0.468 14 R N 1.173 121.660 120.500 -0.022 0.000 2.100 14 R HA 0.404 4.744 4.340 0.000 0.000 0.220 14 R C 1.403 177.675 176.300 -0.047 0.000 1.091 14 R CA 0.915 56.999 56.100 -0.025 0.000 0.986 14 R CB 0.114 30.409 30.300 -0.008 0.000 0.888 14 R HN 0.436 nan 8.270 nan 0.000 0.444 15 A N 1.228 123.986 122.820 -0.103 0.000 3.129 15 A HA 0.281 4.601 4.320 0.000 0.000 0.282 15 A C -2.025 175.546 177.584 -0.022 0.000 0.948 15 A CA -1.078 50.889 52.037 -0.118 0.000 1.027 15 A CB 0.480 19.306 19.000 -0.289 0.000 1.123 15 A HN -0.030 nan 8.150 nan 0.000 0.485 16 P HA -0.145 nan 4.420 nan 0.000 0.216 16 P C 0.097 177.466 177.300 0.115 0.000 1.150 16 P CA 1.356 64.507 63.100 0.084 0.000 0.837 16 P CB 0.273 32.005 31.700 0.052 0.000 0.786 17 D N -2.428 118.033 120.400 0.102 0.000 2.340 17 D HA 0.032 4.672 4.640 0.000 0.000 0.217 17 D C 0.423 176.801 176.300 0.130 0.000 1.081 17 D CA 0.113 54.169 54.000 0.094 0.000 0.842 17 D CB -0.670 40.169 40.800 0.065 0.000 0.934 17 D HN 0.301 nan 8.370 nan 0.000 0.511 18 H N 0.222 119.340 119.070 0.080 0.000 2.525 18 H HA 0.195 4.751 4.556 0.000 0.000 0.339 18 H C -0.290 175.141 175.328 0.173 0.000 1.109 18 H CA -0.706 55.403 56.048 0.101 0.000 1.352 18 H CB 0.901 30.701 29.762 0.063 0.000 1.461 18 H HN -0.085 nan 8.280 nan 0.000 0.533 19 C N 4.980 124.009 119.300 -0.451 0.000 2.638 19 C HA 0.378 4.838 4.460 0.000 0.000 0.410 19 C C 1.523 176.420 174.990 -0.156 0.000 1.404 19 C CA 0.378 59.235 59.018 -0.267 0.000 1.651 19 C CB -2.011 25.558 27.740 -0.285 0.000 2.495 19 C HN 0.917 nan 8.230 nan 0.000 0.606 20 A N 5.376 128.098 122.820 -0.165 0.000 1.887 20 A HA 0.392 4.712 4.320 0.000 0.000 0.210 20 A C 0.266 177.773 177.584 -0.128 0.000 1.221 20 A CA 0.672 52.511 52.037 -0.331 0.000 0.635 20 A CB -0.157 18.437 19.000 -0.677 0.000 0.881 20 A HN 0.644 nan 8.150 nan 0.000 0.456 21 L N -0.136 121.037 121.223 -0.083 0.000 2.333 21 L HA 0.711 5.051 4.340 0.000 0.000 0.280 21 L C -0.162 176.700 176.870 -0.012 0.000 1.004 21 L CA -0.645 54.199 54.840 0.007 0.000 0.820 21 L CB 1.177 43.246 42.059 0.016 0.000 1.247 21 L HN 0.271 nan 8.230 nan 0.000 0.416 22 A N 3.880 126.696 122.820 -0.007 0.000 2.304 22 A HA 0.766 5.086 4.320 0.000 0.000 0.314 22 A C -0.883 176.686 177.584 -0.025 0.000 1.187 22 A CA -0.473 51.547 52.037 -0.030 0.000 0.810 22 A CB 1.131 20.102 19.000 -0.048 0.000 1.183 22 A HN 0.376 nan 8.150 nan 0.000 0.487 23 V N 4.931 124.835 119.914 -0.016 0.000 2.266 23 V HA 0.225 4.345 4.120 0.000 0.000 0.266 23 V C -1.992 174.093 176.094 -0.016 0.000 1.036 23 V CA -1.014 61.279 62.300 -0.012 0.000 0.828 23 V CB 0.852 32.677 31.823 0.003 0.000 1.081 23 V HN 0.726 nan 8.190 nan 0.000 0.449 24 P HA -0.138 nan 4.420 nan 0.000 0.216 24 P C 1.737 179.029 177.300 -0.014 0.000 1.150 24 P CA 1.711 64.799 63.100 -0.019 0.000 0.837 24 P CB 0.373 32.060 31.700 -0.023 0.000 0.786 25 A N 0.044 122.857 122.820 -0.012 0.000 1.972 25 A HA -0.168 4.152 4.320 0.000 0.000 0.219 25 A C 2.062 179.643 177.584 -0.006 0.000 1.169 25 A CA 1.365 53.397 52.037 -0.008 0.000 0.635 25 A CB -0.861 18.135 19.000 -0.006 0.000 0.810 25 A HN 0.138 nan 8.150 nan 0.000 0.446 26 R N -1.449 119.048 120.500 -0.005 0.000 2.334 26 R HA 0.234 4.574 4.340 0.000 0.000 0.216 26 R C 1.091 177.388 176.300 -0.006 0.000 0.905 26 R CA 0.439 56.538 56.100 -0.003 0.000 1.064 26 R CB 0.017 30.317 30.300 0.000 0.000 1.046 26 R HN 0.609 nan 8.270 nan 0.000 0.508 27 G N 2.114 110.909 108.800 -0.008 0.000 2.225 27 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 27 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 27 G C -0.268 174.625 174.900 -0.012 0.000 1.024 27 G CA 0.233 45.327 45.100 -0.010 0.000 0.784 27 G HN 0.230 nan 8.290 nan 0.000 0.507 28 L N 0.256 121.472 121.223 -0.012 0.000 2.295 28 L HA 0.847 5.187 4.340 0.000 0.000 0.285 28 L C 0.264 177.123 176.870 -0.018 0.000 1.035 28 L CA -1.001 53.831 54.840 -0.013 0.000 0.806 28 L CB 0.903 42.956 42.059 -0.009 0.000 1.214 28 L HN 0.241 nan 8.230 nan 0.000 0.426 29 R N 6.136 126.622 120.500 -0.023 0.000 2.574 29 R HA 0.648 4.988 4.340 0.000 0.000 0.288 29 R C -1.666 174.614 176.300 -0.034 0.000 1.004 29 R CA -0.822 55.259 56.100 -0.032 0.000 0.895 29 R CB 1.860 32.137 30.300 -0.038 0.000 1.191 29 R HN 0.582 nan 8.270 nan 0.000 0.444 30 L N 2.121 123.319 121.223 -0.042 0.000 2.385 30 L HA 0.406 4.746 4.340 0.000 0.000 0.273 30 L C 0.702 177.538 176.870 -0.056 0.000 0.990 30 L CA -0.851 53.963 54.840 -0.042 0.000 0.821 30 L CB 2.390 44.424 42.059 -0.041 0.000 1.279 30 L HN 0.751 nan 8.230 nan 0.000 0.412 31 T N -3.086 111.451 114.554 -0.029 0.000 2.766 31 T HA 0.103 4.453 4.350 0.000 0.000 0.295 31 T C 1.256 175.963 174.700 0.011 0.000 1.024 31 T CA -0.244 61.861 62.100 0.007 0.000 1.018 31 T CB 0.689 69.585 68.868 0.047 0.000 1.002 31 T HN 0.501 nan 8.240 nan 0.000 0.532 32 H N 0.708 119.792 119.070 0.023 0.000 2.319 32 H HA -0.106 4.450 4.556 0.000 0.000 0.299 32 H C 2.556 177.898 175.328 0.023 0.000 1.092 32 H CA 1.891 57.959 56.048 0.032 0.000 1.302 32 H CB -0.517 29.278 29.762 0.054 0.000 1.373 32 H HN 0.812 nan 8.280 nan 0.000 0.497 33 A N 1.119 124.025 122.820 0.142 0.000 1.902 33 A HA -0.175 4.145 4.320 0.000 0.000 0.217 33 A C 2.286 179.895 177.584 0.041 0.000 1.181 33 A CA 1.595 53.679 52.037 0.078 0.000 0.623 33 A CB -0.342 18.696 19.000 0.063 0.000 0.818 33 A HN 0.460 nan 8.150 nan 0.000 0.443 34 E N -0.803 119.413 120.200 0.027 0.000 2.072 34 E HA -0.171 4.180 4.350 0.000 0.000 0.191 34 E C 1.947 178.543 176.600 -0.007 0.000 0.985 34 E CA 1.155 57.558 56.400 0.004 0.000 0.801 34 E CB -0.241 29.456 29.700 -0.005 0.000 0.750 34 E HN 0.500 nan 8.360 nan 0.000 0.452 35 L N 1.544 122.757 121.223 -0.017 0.000 2.017 35 L HA -0.192 4.148 4.340 0.000 0.000 0.208 35 L C 2.374 179.240 176.870 -0.007 0.000 1.073 35 L CA 1.809 56.631 54.840 -0.030 0.000 0.745 35 L CB -0.387 41.627 42.059 -0.074 0.000 0.894 35 L HN -0.055 nan 8.230 nan 0.000 0.432 36 R N -0.420 120.088 120.500 0.014 0.000 2.091 36 R HA -0.188 4.152 4.340 0.000 0.000 0.238 36 R C 2.137 178.445 176.300 0.014 0.000 1.136 36 R CA 1.600 57.715 56.100 0.026 0.000 0.959 36 R CB -0.494 29.833 30.300 0.045 0.000 0.856 36 R HN 0.497 nan 8.270 nan 0.000 0.437 37 A N 0.969 123.795 122.820 0.009 0.000 1.908 37 A HA -0.172 4.148 4.320 0.000 0.000 0.218 37 A C 2.221 179.800 177.584 -0.009 0.000 1.181 37 A CA 1.617 53.654 52.037 0.000 0.000 0.627 37 A CB -0.416 18.584 19.000 -0.001 0.000 0.818 37 A HN 0.396 nan 8.150 nan 0.000 0.445 38 R N -0.983 119.510 120.500 -0.012 0.000 2.073 38 R HA -0.011 4.330 4.340 0.000 0.000 0.229 38 R C 2.044 178.338 176.300 -0.011 0.000 1.120 38 R CA 1.215 57.303 56.100 -0.020 0.000 0.967 38 R CB -0.508 29.777 30.300 -0.025 0.000 0.862 38 R HN 0.350 nan 8.270 nan 0.000 0.436 39 V N 1.491 121.405 119.914 0.000 0.000 2.287 39 V HA -0.254 3.866 4.120 0.000 0.000 0.248 39 V C 2.190 178.287 176.094 0.005 0.000 1.053 39 V CA 1.787 64.095 62.300 0.013 0.000 1.027 39 V CB -0.384 31.457 31.823 0.029 0.000 0.646 39 V HN 0.299 nan 8.190 nan 0.000 0.447 40 E N 0.201 120.401 120.200 -0.001 0.000 2.085 40 E HA -0.210 4.140 4.350 0.000 0.000 0.194 40 E C 2.357 178.944 176.600 -0.022 0.000 0.994 40 E CA 1.612 58.005 56.400 -0.012 0.000 0.801 40 E CB -0.566 29.128 29.700 -0.011 0.000 0.743 40 E HN 0.588 nan 8.360 nan 0.000 0.453 41 A N 0.946 123.752 122.820 -0.023 0.000 1.902 41 A HA -0.131 4.189 4.320 0.000 0.000 0.217 41 A C 2.632 180.189 177.584 -0.046 0.000 1.181 41 A CA 1.544 53.561 52.037 -0.034 0.000 0.623 41 A CB -0.651 18.328 19.000 -0.034 0.000 0.818 41 A HN 0.139 nan 8.150 nan 0.000 0.443 42 V N -0.098 119.797 119.914 -0.031 0.000 2.358 42 V HA -0.214 3.906 4.120 0.000 0.000 0.246 42 V C 3.052 179.131 176.094 -0.025 0.000 1.047 42 V CA 1.792 64.077 62.300 -0.026 0.000 1.035 42 V CB -1.335 30.487 31.823 -0.001 0.000 0.658 42 V HN 0.610 nan 8.190 nan 0.000 0.452 43 A N 0.318 123.131 122.820 -0.012 0.000 1.883 43 A HA -0.203 4.117 4.320 0.000 0.000 0.217 43 A C 2.447 180.031 177.584 -0.001 0.000 1.186 43 A CA 2.409 54.445 52.037 -0.002 0.000 0.624 43 A CB -0.904 18.091 19.000 -0.009 0.000 0.822 43 A HN 0.590 nan 8.150 nan 0.000 0.444 44 A N -0.756 122.045 122.820 -0.031 0.000 1.902 44 A HA -0.179 4.141 4.320 0.000 0.000 0.217 44 A C 2.302 179.859 177.584 -0.044 0.000 1.181 44 A CA 1.719 53.736 52.037 -0.033 0.000 0.623 44 A CB -0.519 18.455 19.000 -0.044 0.000 0.818 44 A HN 0.461 nan 8.150 nan 0.000 0.443 45 R N -0.038 120.376 120.500 -0.144 0.000 2.070 45 R HA -0.067 4.274 4.340 0.000 0.000 0.233 45 R C 2.071 178.265 176.300 -0.175 0.000 1.137 45 R CA 1.753 57.651 56.100 -0.338 0.000 0.945 45 R CB -0.750 29.315 30.300 -0.391 0.000 0.845 45 R HN 0.555 nan 8.270 nan 0.000 0.430 46 L N -0.091 121.091 121.223 -0.068 0.000 2.042 46 L HA -0.243 4.097 4.340 0.000 0.000 0.210 46 L C 2.898 179.783 176.870 0.026 0.000 1.076 46 L CA 1.667 56.499 54.840 -0.012 0.000 0.749 46 L CB -0.795 41.268 42.059 0.007 0.000 0.893 46 L HN 0.395 nan 8.230 nan 0.000 0.432 47 H N 0.177 119.225 119.070 -0.036 0.000 2.357 47 H HA -0.114 4.443 4.556 0.000 0.000 0.301 47 H C 2.154 177.489 175.328 0.011 0.000 1.082 47 H CA 1.519 57.559 56.048 -0.013 0.000 1.342 47 H CB 0.318 30.070 29.762 -0.016 0.000 1.389 47 H HN 0.327 nan 8.280 nan 0.000 0.511 48 A N 0.913 123.832 122.820 0.165 0.000 1.940 48 A HA -0.171 4.150 4.320 0.000 0.000 0.219 48 A C 1.971 179.638 177.584 0.138 0.000 1.176 48 A CA 1.850 53.993 52.037 0.177 0.000 0.631 48 A CB -0.338 18.821 19.000 0.265 0.000 0.814 48 A HN 0.412 nan 8.150 nan 0.000 0.446 49 D N -1.569 118.893 120.400 0.104 0.000 2.371 49 D HA 0.207 4.847 4.640 0.000 0.000 0.221 49 D C 1.383 177.688 176.300 0.008 0.000 0.986 49 D CA 1.301 55.351 54.000 0.083 0.000 0.899 49 D CB 0.104 40.948 40.800 0.073 0.000 0.902 49 D HN 0.657 nan 8.370 nan 0.000 0.530 50 G N 0.076 108.844 108.800 -0.053 0.000 2.192 50 G HA2 -0.220 3.740 3.960 0.000 0.000 0.193 50 G HA3 -0.220 3.740 3.960 0.000 0.000 0.193 50 G C 0.061 174.883 174.900 -0.130 0.000 0.999 50 G CA -0.132 44.906 45.100 -0.104 0.000 0.659 50 G HN 0.271 nan 8.290 nan 0.000 0.503 51 L N 1.921 123.078 121.223 -0.110 0.000 2.453 51 L HA 0.700 5.040 4.340 0.000 0.000 0.272 51 L C 0.446 177.245 176.870 -0.118 0.000 1.182 51 L CA -0.242 54.548 54.840 -0.082 0.000 0.858 51 L CB 0.382 42.420 42.059 -0.035 0.000 1.120 51 L HN 0.193 nan 8.230 nan 0.000 0.474 52 R N 4.320 124.776 120.500 -0.074 0.000 2.832 52 R HA 0.567 4.907 4.340 0.000 0.000 0.271 52 R C -2.485 173.802 176.300 -0.021 0.000 0.996 52 R CA -2.641 53.424 56.100 -0.058 0.000 0.977 52 R CB 0.570 30.836 30.300 -0.057 0.000 1.168 52 R HN 0.387 nan 8.270 nan 0.000 0.482 53 P HA 0.020 nan 4.420 nan 0.000 0.267 53 P C -0.104 177.182 177.300 -0.024 0.000 1.200 53 P CA 0.320 63.411 63.100 -0.014 0.000 0.772 53 P CB 0.518 32.213 31.700 -0.008 0.000 0.855 54 Q N -1.806 117.972 119.800 -0.035 0.000 2.324 54 Q HA -0.238 4.103 4.340 0.000 0.000 0.200 54 Q C -0.264 175.718 176.000 -0.029 0.000 0.645 54 Q CA 1.342 57.124 55.803 -0.034 0.000 1.377 54 Q CB -1.832 26.891 28.738 -0.026 0.000 1.486 54 Q HN 0.694 nan 8.270 nan 0.000 0.796 55 Q N 0.727 120.510 119.800 -0.028 0.000 2.314 55 Q HA 0.301 4.641 4.340 0.000 0.000 0.258 55 Q C -0.044 175.941 176.000 -0.024 0.000 0.954 55 Q CA 0.018 55.808 55.803 -0.023 0.000 0.890 55 Q CB 0.677 29.402 28.738 -0.022 0.000 1.210 55 Q HN 0.089 nan 8.270 nan 0.000 0.410 56 R N 1.088 121.579 120.500 -0.015 0.000 2.390 56 R HA 0.387 4.727 4.340 0.000 0.000 0.291 56 R C -0.921 175.375 176.300 -0.006 0.000 1.070 56 R CA -0.294 55.799 56.100 -0.011 0.000 1.014 56 R CB 0.901 31.204 30.300 0.006 0.000 1.007 56 R HN 0.292 nan 8.270 nan 0.000 0.466 57 V N 2.617 122.525 119.914 -0.010 0.000 2.482 57 V HA 0.373 4.494 4.120 0.000 0.000 0.295 57 V C -0.052 176.039 176.094 -0.005 0.000 1.026 57 V CA -1.023 61.273 62.300 -0.006 0.000 0.856 57 V CB 1.695 33.513 31.823 -0.008 0.000 1.001 57 V HN 0.964 nan 8.190 nan 0.000 0.424 58 A N 4.672 127.493 122.820 0.001 0.000 2.445 58 A HA 0.654 4.974 4.320 0.000 0.000 0.242 58 A C -0.295 177.278 177.584 -0.017 0.000 1.075 58 A CA -0.081 51.952 52.037 -0.007 0.000 0.777 58 A CB 0.561 19.553 19.000 -0.013 0.000 1.013 58 A HN 0.819 nan 8.150 nan 0.000 0.493 59 V N 2.884 122.776 119.914 -0.036 0.000 2.443 59 V HA 0.426 4.546 4.120 0.000 0.000 0.293 59 V C -0.691 175.372 176.094 -0.052 0.000 1.021 59 V CA -0.369 61.911 62.300 -0.032 0.000 0.848 59 V CB 1.621 33.421 31.823 -0.039 0.000 0.998 59 V HN 0.642 nan 8.190 nan 0.000 0.424 60 V N 3.849 123.738 119.914 -0.042 0.000 2.380 60 V HA 0.898 5.018 4.120 0.000 0.000 0.272 60 V C 0.049 176.111 176.094 -0.053 0.000 1.011 60 V CA -0.226 62.027 62.300 -0.079 0.000 0.826 60 V CB 1.058 32.837 31.823 -0.074 0.000 1.040 60 V HN 1.025 nan 8.190 nan 0.000 0.441 61 A N 5.955 128.744 122.820 -0.051 0.000 2.566 61 A HA 0.954 5.274 4.320 0.000 0.000 0.297 61 A C -3.152 174.457 177.584 0.041 0.000 1.059 61 A CA -1.201 50.834 52.037 -0.004 0.000 0.691 61 A CB 2.056 21.071 19.000 0.025 0.000 1.282 61 A HN 0.445 nan 8.150 nan 0.000 0.401 62 P HA 0.170 nan 4.420 nan 0.000 0.273 62 P C -0.580 176.798 177.300 0.131 0.000 1.250 62 P CA -0.351 62.822 63.100 0.122 0.000 0.793 62 P CB 0.338 32.086 31.700 0.080 0.000 1.011 63 N N 0.059 118.847 118.700 0.147 0.000 2.412 63 N HA 0.214 4.954 4.740 0.000 0.000 0.258 63 N C 0.176 175.748 175.510 0.103 0.000 1.236 63 N CA 0.587 53.712 53.050 0.124 0.000 0.882 63 N CB -0.260 38.298 38.487 0.117 0.000 1.066 63 N HN 0.511 nan 8.380 nan 0.000 0.465 64 S N -0.735 115.026 115.700 0.103 0.000 2.595 64 S HA 0.623 5.093 4.470 0.000 0.000 0.270 64 S C 0.459 175.111 174.600 0.087 0.000 1.145 64 S CA -0.410 57.840 58.200 0.084 0.000 0.825 64 S CB 0.758 63.994 63.200 0.059 0.000 1.107 64 S HN 0.396 nan 8.310 nan 0.000 0.461 65 A N 0.807 123.670 122.820 0.071 0.000 1.972 65 A HA -0.023 4.297 4.320 0.000 0.000 0.219 65 A C 1.567 179.172 177.584 0.035 0.000 1.169 65 A CA 1.965 54.035 52.037 0.055 0.000 0.635 65 A CB -1.058 17.964 19.000 0.037 0.000 0.810 65 A HN 0.824 nan 8.150 nan 0.000 0.446 66 D N -0.640 119.782 120.400 0.036 0.000 2.144 66 D HA -0.097 4.543 4.640 0.000 0.000 0.200 66 D C 1.955 178.279 176.300 0.041 0.000 0.978 66 D CA 1.328 55.348 54.000 0.034 0.000 0.833 66 D CB -0.450 40.374 40.800 0.039 0.000 0.961 66 D HN 0.215 nan 8.370 nan 0.000 0.470 67 V N 0.482 120.424 119.914 0.047 0.000 2.548 67 V HA -0.161 3.959 4.120 0.000 0.000 0.249 67 V C 2.383 178.505 176.094 0.047 0.000 1.055 67 V CA 0.877 63.207 62.300 0.050 0.000 1.065 67 V CB -0.027 31.832 31.823 0.059 0.000 0.681 67 V HN -0.022 nan 8.190 nan 0.000 0.462 68 V N 0.331 120.265 119.914 0.033 0.000 2.287 68 V HA -0.303 3.818 4.120 0.000 0.000 0.248 68 V C 2.242 178.349 176.094 0.022 0.000 1.053 68 V CA 2.737 65.039 62.300 0.003 0.000 1.027 68 V CB -0.536 31.249 31.823 -0.064 0.000 0.646 68 V HN 0.508 nan 8.190 nan 0.000 0.447 69 I N 0.235 120.817 120.570 0.019 0.000 2.179 69 I HA -0.252 3.918 4.170 0.000 0.000 0.242 69 I C 2.646 178.789 176.117 0.043 0.000 1.088 69 I CA 1.557 62.871 61.300 0.023 0.000 1.357 69 I CB -0.608 37.399 38.000 0.011 0.000 1.051 69 I HN 0.295 nan 8.210 nan 0.000 0.409 70 A N 1.028 123.876 122.820 0.046 0.000 1.877 70 A HA -0.165 4.155 4.320 0.000 0.000 0.216 70 A C 2.300 179.924 177.584 0.067 0.000 1.186 70 A CA 1.502 53.570 52.037 0.051 0.000 0.620 70 A CB -0.847 18.182 19.000 0.049 0.000 0.822 70 A HN 0.358 nan 8.150 nan 0.000 0.443 71 I N -0.215 120.401 120.570 0.076 0.000 2.163 71 I HA -0.285 3.885 4.170 0.000 0.000 0.243 71 I C 2.364 178.597 176.117 0.194 0.000 1.085 71 I CA 1.310 62.674 61.300 0.106 0.000 1.347 71 I CB -0.335 37.720 38.000 0.091 0.000 1.044 71 I HN 0.289 nan 8.210 nan 0.000 0.408 72 L N 0.220 121.556 121.223 0.189 0.000 2.141 72 L HA -0.152 4.188 4.340 0.000 0.000 0.209 72 L C 2.804 179.784 176.870 0.183 0.000 1.094 72 L CA 1.076 56.053 54.840 0.229 0.000 0.763 72 L CB -0.720 41.428 42.059 0.147 0.000 0.908 72 L HN 0.246 nan 8.230 nan 0.000 0.437 73 A N 0.294 123.181 122.820 0.110 0.000 1.898 73 A HA -0.135 4.185 4.320 0.000 0.000 0.216 73 A C 2.257 179.879 177.584 0.063 0.000 1.181 73 A CA 1.197 53.275 52.037 0.068 0.000 0.620 73 A CB -0.581 18.444 19.000 0.042 0.000 0.819 73 A HN 0.319 nan 8.150 nan 0.000 0.442 74 L N -1.459 119.810 121.223 0.077 0.000 2.012 74 L HA -0.242 4.098 4.340 0.000 0.000 0.210 74 L C 2.694 179.596 176.870 0.054 0.000 1.073 74 L CA 1.957 56.829 54.840 0.053 0.000 0.748 74 L CB -0.683 41.403 42.059 0.045 0.000 0.891 74 L HN 0.649 nan 8.230 nan 0.000 0.431 75 H N 0.117 119.196 119.070 0.015 0.000 2.353 75 H HA -0.202 4.354 4.556 0.001 0.000 0.300 75 H C 2.285 177.620 175.328 0.010 0.000 1.090 75 H CA 1.854 57.891 56.048 -0.019 0.000 1.327 75 H CB 0.028 29.870 29.762 0.134 0.000 1.383 75 H HN 0.024 nan 8.280 nan 0.000 0.508 76 R N 0.743 121.214 120.500 -0.049 0.000 2.096 76 R HA -0.131 4.209 4.340 0.000 0.000 0.240 76 R C 2.511 178.744 176.300 -0.111 0.000 1.139 76 R CA 1.984 58.024 56.100 -0.100 0.000 0.952 76 R CB -1.267 29.031 30.300 -0.003 0.000 0.854 76 R HN 0.560 nan 8.270 nan 0.000 0.436 77 L N -1.646 119.544 121.223 -0.055 0.000 2.083 77 L HA 0.031 4.372 4.340 0.000 0.000 0.209 77 L C 1.230 178.075 176.870 -0.043 0.000 1.083 77 L CA 1.919 56.748 54.840 -0.019 0.000 0.752 77 L CB -0.201 41.879 42.059 0.035 0.000 0.899 77 L HN 0.631 nan 8.230 nan 0.000 0.433 78 G N -1.834 106.908 108.800 -0.096 0.000 2.205 78 G HA2 -0.166 3.794 3.960 0.000 0.000 0.180 78 G HA3 -0.166 3.794 3.960 0.000 0.000 0.180 78 G C 0.385 175.238 174.900 -0.079 0.000 1.004 78 G CA -0.018 45.017 45.100 -0.108 0.000 0.670 78 G HN 0.739 nan 8.290 nan 0.000 0.496 79 A N -0.110 122.677 122.820 -0.055 0.000 2.448 79 A HA 0.594 4.914 4.320 0.000 0.000 0.239 79 A C 0.584 178.115 177.584 -0.088 0.000 1.080 79 A CA 0.674 52.680 52.037 -0.051 0.000 0.779 79 A CB 0.722 19.706 19.000 -0.028 0.000 1.026 79 A HN 1.110 nan 8.150 nan 0.000 0.499 80 V N 3.954 123.813 119.914 -0.091 0.000 2.304 80 V HA 0.266 4.386 4.120 0.000 0.000 0.269 80 V C -2.269 173.761 176.094 -0.108 0.000 1.036 80 V CA -1.338 60.877 62.300 -0.141 0.000 0.840 80 V CB 0.910 32.674 31.823 -0.099 0.000 1.036 80 V HN 0.714 nan 8.190 nan 0.000 0.466 81 P HA 0.269 nan 4.420 nan 0.000 0.271 81 P C -0.569 176.668 177.300 -0.105 0.000 1.220 81 P CA 0.042 63.097 63.100 -0.076 0.000 0.768 81 P CB 0.804 32.484 31.700 -0.033 0.000 0.848 82 A N 4.967 127.747 122.820 -0.067 0.000 2.316 82 A HA 0.421 4.742 4.320 0.000 0.000 0.324 82 A C -0.233 177.339 177.584 -0.021 0.000 1.375 82 A CA -0.673 51.359 52.037 -0.009 0.000 0.882 82 A CB -0.273 18.808 19.000 0.134 0.000 1.152 82 A HN 0.476 nan 8.150 nan 0.000 0.512 83 L N 3.298 124.408 121.223 -0.189 0.000 2.313 83 L HA 0.383 4.723 4.340 0.000 0.000 0.282 83 L C -0.506 176.364 176.870 0.000 0.000 1.092 83 L CA 0.036 54.771 54.840 -0.176 0.000 0.831 83 L CB 0.594 42.403 42.059 -0.417 0.000 1.159 83 L HN 0.558 nan 8.230 nan 0.000 0.442 84 L N 3.463 124.634 121.223 -0.085 0.000 2.365 84 L HA 0.382 4.722 4.340 0.000 0.000 0.273 84 L C 0.225 176.868 176.870 -0.378 0.000 1.000 84 L CA -0.734 53.989 54.840 -0.194 0.000 0.819 84 L CB 1.917 43.820 42.059 -0.260 0.000 1.284 84 L HN 0.524 nan 8.230 nan 0.000 0.418 85 N N 4.688 123.105 118.700 -0.471 0.000 2.434 85 N HA 0.029 4.769 4.740 0.000 0.000 0.268 85 N C -1.669 173.516 175.510 -0.543 0.000 1.256 85 N CA -1.189 51.331 53.050 -0.884 0.000 0.914 85 N CB 1.129 39.398 38.487 -0.363 0.000 1.088 85 N HN 0.351 nan 8.380 nan 0.000 0.478 86 P HA -0.045 nan 4.420 nan 0.000 0.230 86 P C 0.544 177.758 177.300 -0.144 0.000 1.158 86 P CA 0.802 63.741 63.100 -0.268 0.000 0.769 86 P CB 0.365 31.943 31.700 -0.205 0.000 0.807 87 R N -0.687 119.737 120.500 -0.128 0.000 2.276 87 R HA 0.139 4.479 4.340 0.000 0.000 0.203 87 R C 1.160 177.510 176.300 0.084 0.000 1.017 87 R CA 0.048 56.163 56.100 0.026 0.000 1.010 87 R CB -0.401 29.957 30.300 0.096 0.000 0.900 87 R HN 0.263 nan 8.270 nan 0.000 0.469 88 L N 1.624 122.863 121.223 0.026 0.000 2.467 88 L HA 0.056 4.397 4.340 0.000 0.000 0.270 88 L C 0.524 177.385 176.870 -0.015 0.000 1.205 88 L CA 0.251 55.101 54.840 0.017 0.000 0.828 88 L CB 0.335 42.376 42.059 -0.030 0.000 1.101 88 L HN 0.011 nan 8.230 nan 0.000 0.479 89 K N 0.251 120.639 120.400 -0.021 0.000 2.127 89 K HA 0.144 4.464 4.320 0.000 0.000 0.240 89 K C 1.222 177.802 176.600 -0.033 0.000 1.024 89 K CA -0.034 56.236 56.287 -0.027 0.000 0.918 89 K CB 1.062 33.541 32.500 -0.034 0.000 1.108 89 K HN 0.707 nan 8.250 nan 0.000 0.485 90 S N 0.218 115.903 115.700 -0.025 0.000 2.370 90 S HA -0.218 4.252 4.470 0.000 0.000 0.226 90 S C 2.081 176.666 174.600 -0.024 0.000 1.033 90 S CA 1.242 59.431 58.200 -0.019 0.000 1.011 90 S CB -0.480 62.716 63.200 -0.006 0.000 0.852 90 S HN 0.639 nan 8.310 nan 0.000 0.457 91 A N 1.729 124.532 122.820 -0.028 0.000 1.898 91 A HA -0.071 4.249 4.320 0.000 0.000 0.216 91 A C 2.222 179.785 177.584 -0.035 0.000 1.181 91 A CA 1.593 53.613 52.037 -0.030 0.000 0.620 91 A CB -0.886 18.095 19.000 -0.031 0.000 0.819 91 A HN 0.727 nan 8.150 nan 0.000 0.442 92 E N -0.113 120.062 120.200 -0.042 0.000 2.047 92 E HA -0.155 4.196 4.350 0.000 0.000 0.191 92 E C 1.937 178.494 176.600 -0.072 0.000 0.987 92 E CA 1.107 57.477 56.400 -0.051 0.000 0.799 92 E CB -0.230 29.439 29.700 -0.052 0.000 0.752 92 E HN 0.603 nan 8.360 nan 0.000 0.449 93 L N 0.512 121.690 121.223 -0.075 0.000 2.017 93 L HA -0.187 4.153 4.340 0.000 0.000 0.208 93 L C 2.724 179.553 176.870 -0.069 0.000 1.073 93 L CA 1.275 56.059 54.840 -0.093 0.000 0.745 93 L CB -0.540 41.472 42.059 -0.078 0.000 0.894 93 L HN 0.237 nan 8.230 nan 0.000 0.432 94 A N -0.212 122.583 122.820 -0.041 0.000 1.908 94 A HA -0.267 4.053 4.320 0.000 0.000 0.218 94 A C 2.201 179.768 177.584 -0.028 0.000 1.181 94 A CA 2.036 54.057 52.037 -0.026 0.000 0.627 94 A CB -0.495 18.495 19.000 -0.016 0.000 0.818 94 A HN 0.413 nan 8.150 nan 0.000 0.445 95 E N 0.108 120.289 120.200 -0.031 0.000 2.106 95 E HA -0.079 4.271 4.350 0.000 0.000 0.192 95 E C 1.815 178.408 176.600 -0.013 0.000 0.984 95 E CA 1.063 57.451 56.400 -0.021 0.000 0.806 95 E CB -0.392 29.296 29.700 -0.019 0.000 0.750 95 E HN 0.593 nan 8.360 nan 0.000 0.458 96 L N -0.070 121.131 121.223 -0.036 0.000 2.083 96 L HA -0.120 4.220 4.340 0.000 0.000 0.209 96 L C 2.419 179.293 176.870 0.007 0.000 1.083 96 L CA 0.955 55.778 54.840 -0.028 0.000 0.752 96 L CB -0.338 41.614 42.059 -0.179 0.000 0.899 96 L HN 0.199 nan 8.230 nan 0.000 0.433 97 I N -0.263 120.294 120.570 -0.021 0.000 2.252 97 I HA -0.298 3.873 4.170 0.000 0.000 0.245 97 I C 2.683 178.810 176.117 0.016 0.000 1.102 97 I CA 1.253 62.554 61.300 0.003 0.000 1.385 97 I CB -0.233 37.760 38.000 -0.012 0.000 1.064 97 I HN 0.212 nan 8.210 nan 0.000 0.414 98 K N 1.171 121.575 120.400 0.006 0.000 2.002 98 K HA -0.179 4.141 4.320 0.000 0.000 0.209 98 K C 2.334 178.945 176.600 0.018 0.000 1.048 98 K CA 1.492 57.782 56.287 0.005 0.000 0.930 98 K CB -0.062 32.434 32.500 -0.008 0.000 0.714 98 K HN 0.141 nan 8.250 nan 0.000 0.438 99 R N -0.561 119.957 120.500 0.029 0.000 2.120 99 R HA -0.080 4.261 4.340 0.000 0.000 0.234 99 R C 2.250 178.586 176.300 0.060 0.000 1.123 99 R CA 1.194 57.320 56.100 0.044 0.000 0.975 99 R CB -0.312 30.021 30.300 0.055 0.000 0.866 99 R HN 0.378 nan 8.270 nan 0.000 0.446 100 G N 0.503 109.349 108.800 0.077 0.000 2.744 100 G HA2 -0.160 3.800 3.960 0.000 0.000 0.211 100 G HA3 -0.160 3.800 3.960 0.000 0.000 0.211 100 G C -0.222 174.709 174.900 0.051 0.000 1.143 100 G CA -0.153 44.999 45.100 0.086 0.000 0.788 100 G HN 0.351 nan 8.290 nan 0.000 0.534 101 E N -0.356 119.865 120.200 0.035 0.000 2.228 101 E HA -0.192 4.158 4.350 0.000 0.000 0.213 101 E C 0.129 176.739 176.600 0.018 0.000 1.282 101 E CA 0.205 56.617 56.400 0.020 0.000 0.707 101 E CB -1.343 28.367 29.700 0.016 0.000 1.150 101 E HN 0.513 nan 8.360 nan 0.000 0.362 102 M N -0.436 119.176 119.600 0.020 0.000 2.288 102 M HA 0.129 4.609 4.480 0.000 0.000 0.334 102 M C 1.625 177.929 176.300 0.007 0.000 1.150 102 M CA -0.122 55.188 55.300 0.016 0.000 1.118 102 M CB 0.920 33.534 32.600 0.023 0.000 1.501 102 M HN -0.069 nan 8.290 nan 0.000 0.462 103 T N 0.707 115.262 114.554 0.001 0.000 2.978 103 T HA 0.254 4.605 4.350 0.000 0.000 0.262 103 T C 0.475 175.173 174.700 -0.003 0.000 1.063 103 T CA 0.793 62.891 62.100 -0.003 0.000 1.140 103 T CB 0.149 69.011 68.868 -0.010 0.000 0.886 103 T HN 0.789 nan 8.240 nan 0.000 0.470 104 A N 0.074 122.894 122.820 -0.002 0.000 2.588 104 A HA 0.861 5.181 4.320 0.000 0.000 0.290 104 A C -1.785 175.800 177.584 0.001 0.000 1.136 104 A CA -0.555 51.481 52.037 -0.002 0.000 0.681 104 A CB 1.117 20.114 19.000 -0.005 0.000 1.282 104 A HN 0.352 nan 8.150 nan 0.000 0.421 105 A N 0.154 122.975 122.820 0.002 0.000 2.414 105 A HA 0.610 4.930 4.320 0.000 0.000 0.286 105 A C -1.239 176.356 177.584 0.018 0.000 1.073 105 A CA -0.326 51.715 52.037 0.007 0.000 0.727 105 A CB 1.062 20.066 19.000 0.006 0.000 1.215 105 A HN 1.381 nan 8.150 nan 0.000 0.430 106 V N 4.734 124.662 119.914 0.024 0.000 2.348 106 V HA 0.435 4.555 4.120 0.000 0.000 0.270 106 V C 0.113 176.243 176.094 0.060 0.000 1.037 106 V CA 0.013 62.342 62.300 0.048 0.000 0.872 106 V CB 0.230 32.077 31.823 0.040 0.000 1.002 106 V HN 0.755 nan 8.190 nan 0.000 0.464 107 I N 2.063 122.703 120.570 0.116 0.000 2.646 107 I HA 0.930 5.100 4.170 0.000 0.000 0.299 107 I C 0.290 176.479 176.117 0.120 0.000 1.036 107 I CA -0.805 60.563 61.300 0.113 0.000 1.074 107 I CB 2.405 40.488 38.000 0.139 0.000 1.258 107 I HN 0.442 nan 8.210 nan 0.000 0.430 108 A N 4.350 127.188 122.820 0.030 0.000 2.616 108 A HA 0.481 4.801 4.320 0.000 0.000 0.294 108 A C 0.660 178.196 177.584 -0.081 0.000 1.091 108 A CA 0.285 52.296 52.037 -0.045 0.000 0.971 108 A CB -0.167 18.817 19.000 -0.027 0.000 1.222 108 A HN 1.020 nan 8.150 nan 0.000 0.521 109 V N -4.191 115.695 119.914 -0.047 0.000 3.085 109 V HA 0.525 4.645 4.120 0.000 0.000 0.345 109 V C 0.917 176.990 176.094 -0.034 0.000 1.397 109 V CA 0.649 62.923 62.300 -0.044 0.000 1.165 109 V CB -0.146 31.660 31.823 -0.029 0.000 1.153 109 V HN 0.240 nan 8.190 nan 0.000 0.495 110 G N 0.982 109.748 108.800 -0.057 0.000 2.687 110 G HA2 0.125 4.085 3.960 0.000 0.000 0.222 110 G HA3 0.125 4.085 3.960 0.000 0.000 0.222 110 G C 1.407 176.414 174.900 0.179 0.000 1.445 110 G CA 0.172 45.264 45.100 -0.013 0.000 0.836 110 G HN 0.314 nan 8.290 nan 0.000 0.598 111 R N 0.259 120.845 120.500 0.143 0.000 2.081 111 R HA -0.012 4.328 4.340 0.000 0.000 0.235 111 R C 2.833 179.196 176.300 0.106 0.000 1.131 111 R CA 1.554 57.763 56.100 0.182 0.000 0.960 111 R CB -0.273 30.110 30.300 0.139 0.000 0.856 111 R HN 0.404 nan 8.270 nan 0.000 0.436 112 Q N -0.119 119.720 119.800 0.065 0.000 2.119 112 Q HA -0.105 4.236 4.340 0.000 0.000 0.201 112 Q C 2.191 178.221 176.000 0.049 0.000 0.972 112 Q CA 1.316 57.147 55.803 0.046 0.000 0.847 112 Q CB 0.073 28.825 28.738 0.024 0.000 0.903 112 Q HN 0.163 nan 8.270 nan 0.000 0.433 113 V N 0.996 120.941 119.914 0.053 0.000 2.343 113 V HA -0.290 3.830 4.120 0.000 0.000 0.247 113 V C 2.287 178.421 176.094 0.067 0.000 1.051 113 V CA 1.823 64.151 62.300 0.047 0.000 1.036 113 V CB -0.994 30.852 31.823 0.038 0.000 0.654 113 V HN 0.400 nan 8.190 nan 0.000 0.451 114 A N 0.167 123.048 122.820 0.101 0.000 1.883 114 A HA -0.345 3.975 4.320 0.000 0.000 0.217 114 A C 2.054 179.688 177.584 0.083 0.000 1.186 114 A CA 2.444 54.529 52.037 0.081 0.000 0.624 114 A CB -0.826 18.216 19.000 0.071 0.000 0.822 114 A HN 0.618 nan 8.150 nan 0.000 0.444 115 D N -0.569 119.883 120.400 0.088 0.000 2.117 115 D HA -0.036 4.604 4.640 0.000 0.000 0.197 115 D C 2.040 178.421 176.300 0.135 0.000 0.987 115 D CA 1.637 55.713 54.000 0.128 0.000 0.829 115 D CB -0.194 40.662 40.800 0.095 0.000 0.961 115 D HN 0.361 nan 8.370 nan 0.000 0.460 116 A N 0.077 122.943 122.820 0.076 0.000 1.908 116 A HA -0.155 4.165 4.320 0.000 0.000 0.218 116 A C 2.366 179.973 177.584 0.038 0.000 1.181 116 A CA 1.409 53.471 52.037 0.043 0.000 0.627 116 A CB -0.872 18.140 19.000 0.019 0.000 0.818 116 A HN 0.389 nan 8.150 nan 0.000 0.445 117 I N -1.883 118.721 120.570 0.055 0.000 2.179 117 I HA -0.237 3.933 4.170 0.000 0.000 0.242 117 I C 2.335 178.496 176.117 0.073 0.000 1.088 117 I CA 1.656 62.985 61.300 0.048 0.000 1.357 117 I CB -0.371 37.657 38.000 0.047 0.000 1.051 117 I HN 0.457 nan 8.210 nan 0.000 0.409 118 F N 1.788 121.722 119.950 -0.026 0.000 2.069 118 F HA -0.262 4.265 4.527 0.000 0.000 0.298 118 F C 2.592 178.380 175.800 -0.021 0.000 1.113 118 F CA 1.678 59.661 58.000 -0.028 0.000 1.214 118 F CB -0.410 38.571 39.000 -0.033 0.000 0.978 118 F HN 0.047 nan 8.300 nan 0.000 0.474 119 Q N 0.325 120.027 119.800 -0.164 0.000 2.291 119 Q HA -0.128 4.212 4.340 0.000 0.000 0.205 119 Q C 2.481 178.358 176.000 -0.206 0.000 0.970 119 Q CA 1.384 57.033 55.803 -0.257 0.000 0.876 119 Q CB -1.057 27.641 28.738 -0.067 0.000 0.935 119 Q HN 0.627 nan 8.270 nan 0.000 0.455 120 S N -0.524 115.097 115.700 -0.131 0.000 2.442 120 S HA -0.018 4.452 4.470 0.000 0.000 0.236 120 S C 1.595 176.125 174.600 -0.117 0.000 1.007 120 S CA 1.032 59.175 58.200 -0.095 0.000 0.965 120 S CB -0.309 62.859 63.200 -0.053 0.000 0.773 120 S HN 0.506 nan 8.310 nan 0.000 0.504 121 G N 0.946 109.640 108.800 -0.177 0.000 2.148 121 G HA2 -0.357 3.603 3.960 0.000 0.000 0.254 121 G HA3 -0.357 3.603 3.960 0.000 0.000 0.254 121 G C 1.052 175.898 174.900 -0.089 0.000 0.981 121 G CA 1.085 46.089 45.100 -0.160 0.000 0.670 121 G HN 1.347 nan 8.290 nan 0.000 0.528 122 S N -0.472 115.191 115.700 -0.063 0.000 2.383 122 S HA 0.234 4.704 4.470 0.000 0.000 0.229 122 S C 2.666 177.255 174.600 -0.017 0.000 1.030 122 S CA 1.923 60.106 58.200 -0.029 0.000 1.002 122 S CB -0.457 62.734 63.200 -0.014 0.000 0.829 122 S HN 2.466 nan 8.310 nan 0.000 0.467 123 G N 0.996 109.791 108.800 -0.010 0.000 2.179 123 G HA2 -0.103 3.857 3.960 0.000 0.000 0.260 123 G HA3 -0.103 3.857 3.960 0.000 0.000 0.260 123 G C 0.250 175.163 174.900 0.021 0.000 0.977 123 G CA 0.193 45.300 45.100 0.012 0.000 0.641 123 G HN 1.470 nan 8.290 nan 0.000 0.533 124 A N 0.112 122.943 122.820 0.018 0.000 2.520 124 A HA 0.568 4.888 4.320 0.000 0.000 0.245 124 A C 0.839 178.435 177.584 0.020 0.000 1.072 124 A CA 0.751 52.797 52.037 0.015 0.000 0.761 124 A CB 0.125 19.132 19.000 0.012 0.000 1.004 124 A HN 0.795 nan 8.150 nan 0.000 0.499 125 R N 2.329 122.833 120.500 0.006 0.000 2.401 125 R HA 0.339 4.679 4.340 0.000 0.000 0.299 125 R C -0.857 175.430 176.300 -0.023 0.000 1.064 125 R CA -0.055 56.040 56.100 -0.008 0.000 1.000 125 R CB -0.000 30.291 30.300 -0.014 0.000 0.973 125 R HN 0.653 nan 8.270 nan 0.000 0.438 126 I N 6.588 127.128 120.570 -0.050 0.000 2.352 126 I HA 0.204 4.374 4.170 0.000 0.000 0.290 126 I C -0.115 175.922 176.117 -0.133 0.000 1.036 126 I CA -0.041 61.209 61.300 -0.083 0.000 1.336 126 I CB 1.078 39.008 38.000 -0.117 0.000 1.407 126 I HN 0.494 nan 8.210 nan 0.000 0.497 127 I N 6.645 127.172 120.570 -0.072 0.000 2.410 127 I HA 0.322 4.493 4.170 0.000 0.000 0.286 127 I C -0.361 175.799 176.117 0.072 0.000 1.009 127 I CA -0.430 60.843 61.300 -0.045 0.000 1.111 127 I CB 1.078 39.081 38.000 0.005 0.000 1.262 127 I HN 0.369 nan 8.210 nan 0.000 0.443 128 F N 5.262 125.206 119.950 -0.010 0.000 2.495 128 F HA -0.001 4.526 4.527 0.000 0.000 0.365 128 F C 1.364 177.171 175.800 0.011 0.000 1.090 128 F CA -0.673 57.324 58.000 -0.005 0.000 1.235 128 F CB 1.104 40.095 39.000 -0.014 0.000 1.119 128 F HN 0.531 nan 8.300 nan 0.000 0.562 129 L N 4.577 125.928 121.223 0.213 0.000 2.042 129 L HA -0.117 4.224 4.340 0.000 0.000 0.210 129 L C 2.246 179.200 176.870 0.140 0.000 1.076 129 L CA 2.223 57.141 54.840 0.130 0.000 0.749 129 L CB -1.121 40.986 42.059 0.080 0.000 0.893 129 L HN 0.706 nan 8.230 nan 0.000 0.432 130 G N -1.712 107.164 108.800 0.125 0.000 2.559 130 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 130 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 130 G C 0.996 176.015 174.900 0.199 0.000 1.126 130 G CA 0.716 45.901 45.100 0.143 0.000 0.778 130 G HN 0.449 nan 8.290 nan 0.000 0.543 131 D N -0.383 120.113 120.400 0.160 0.000 2.354 131 D HA 0.143 4.783 4.640 0.000 0.000 0.209 131 D C 2.255 178.614 176.300 0.098 0.000 1.015 131 D CA -0.039 53.966 54.000 0.007 0.000 0.867 131 D CB 0.561 41.372 40.800 0.019 0.000 0.933 131 D HN 0.287 nan 8.370 nan 0.000 0.520 132 L N -0.449 120.913 121.223 0.231 0.000 2.269 132 L HA 0.204 4.544 4.340 0.000 0.000 0.200 132 L C 0.306 177.350 176.870 0.289 0.000 1.069 132 L CA 0.306 55.286 54.840 0.233 0.000 0.804 132 L CB 1.051 43.184 42.059 0.124 0.000 0.987 132 L HN -0.175 nan 8.230 nan 0.000 0.468 133 V N 0.133 120.181 119.914 0.223 0.000 2.817 133 V HA 0.446 4.566 4.120 0.000 0.000 0.303 133 V C -1.449 174.699 176.094 0.090 0.000 1.151 133 V CA -0.524 61.820 62.300 0.073 0.000 0.929 133 V CB 2.294 34.132 31.823 0.024 0.000 1.030 133 V HN 0.174 nan 8.190 nan 0.000 0.427 134 R N 4.307 124.812 120.500 0.008 0.000 2.532 134 R HA 0.445 4.786 4.340 0.000 0.000 0.297 134 R C -0.659 175.633 176.300 -0.013 0.000 0.984 134 R CA -0.361 55.766 56.100 0.046 0.000 0.884 134 R CB 1.312 31.698 30.300 0.143 0.000 1.182 134 R HN 0.912 nan 8.270 nan 0.000 0.442 135 D N 2.809 123.211 120.400 0.004 0.000 2.751 135 D HA -0.205 4.435 4.640 0.000 0.000 0.233 135 D C 0.738 177.024 176.300 -0.023 0.000 1.149 135 D CA 1.875 55.871 54.000 -0.006 0.000 0.682 135 D CB -0.732 40.066 40.800 -0.004 0.000 1.068 135 D HN 1.098 nan 8.370 nan 0.000 0.429 136 G N -0.764 108.021 108.800 -0.026 0.000 2.199 136 G HA2 -0.304 3.656 3.960 0.000 0.000 0.254 136 G HA3 -0.304 3.656 3.960 0.000 0.000 0.254 136 G C -0.050 174.810 174.900 -0.067 0.000 0.982 136 G CA 0.266 45.344 45.100 -0.036 0.000 0.632 136 G HN 0.353 nan 8.290 nan 0.000 0.529 137 E N 1.564 121.698 120.200 -0.109 0.000 2.092 137 E HA 0.441 4.791 4.350 0.000 0.000 0.271 137 E C -2.475 173.939 176.600 -0.310 0.000 0.919 137 E CA -1.867 54.424 56.400 -0.182 0.000 0.760 137 E CB 1.947 31.533 29.700 -0.190 0.000 1.106 137 E HN 0.237 nan 8.360 nan 0.000 0.408 138 P HA 0.142 nan 4.420 nan 0.000 0.274 138 P C -0.853 176.221 177.300 -0.377 0.000 1.237 138 P CA -0.213 62.749 63.100 -0.229 0.000 0.793 138 P CB 0.323 31.962 31.700 -0.100 0.000 0.977 139 Y N -0.234 120.063 120.300 -0.004 0.000 2.593 139 Y HA 0.479 5.029 4.550 0.000 0.000 0.331 139 Y C 0.866 176.736 175.900 -0.050 0.000 0.986 139 Y CA -0.155 57.951 58.100 0.010 0.000 1.262 139 Y CB 0.889 39.371 38.460 0.037 0.000 1.098 139 Y HN 0.173 nan 8.280 nan 0.000 0.506 140 S N 3.824 119.560 115.700 0.059 0.000 2.536 140 S HA 0.807 5.277 4.470 0.000 0.000 0.298 140 S C -1.215 173.408 174.600 0.038 0.000 1.083 140 S CA -0.481 57.679 58.200 -0.068 0.000 0.995 140 S CB 0.684 63.852 63.200 -0.054 0.000 1.058 140 S HN 0.524 nan 8.310 nan 0.000 0.488 141 Y N 0.148 120.483 120.300 0.058 0.000 2.655 141 Y HA 0.840 5.390 4.550 0.000 0.000 0.336 141 Y C 0.043 175.969 175.900 0.043 0.000 1.154 141 Y CA -0.649 57.478 58.100 0.045 0.000 1.055 141 Y CB 0.570 39.056 38.460 0.043 0.000 1.295 141 Y HN 1.155 nan 8.280 nan 0.000 0.465 142 G N 1.012 109.970 108.800 0.263 0.000 2.663 142 G HA2 0.132 4.093 3.960 0.000 0.000 0.686 142 G HA3 0.132 4.093 3.960 0.000 0.000 0.686 142 G C -3.005 171.943 174.900 0.080 0.000 1.246 142 G CA -0.862 44.338 45.100 0.167 0.000 0.795 142 G HN 0.692 nan 8.290 nan 0.000 0.627 143 P HA 0.468 nan 4.420 nan 0.000 0.274 143 P C -2.482 174.807 177.300 -0.018 0.000 1.256 143 P CA -1.059 62.053 63.100 0.020 0.000 0.795 143 P CB -0.336 31.375 31.700 0.018 0.000 1.038 144 P HA 0.141 nan 4.420 nan 0.000 0.266 144 P C -0.121 177.116 177.300 -0.105 0.000 1.195 144 P CA 0.196 63.262 63.100 -0.056 0.000 0.768 144 P CB 0.127 31.805 31.700 -0.038 0.000 0.838 145 I N -2.822 117.651 120.570 -0.160 0.000 2.707 145 I HA 0.752 4.922 4.170 0.000 0.000 0.309 145 I C 0.355 176.354 176.117 -0.196 0.000 1.001 145 I CA -1.377 59.748 61.300 -0.292 0.000 1.129 145 I CB 1.318 38.987 38.000 -0.552 0.000 1.308 145 I HN 0.232 nan 8.210 nan 0.000 0.466 146 E N 2.883 122.967 120.200 -0.194 0.000 2.409 146 E HA 0.133 4.484 4.350 0.000 0.000 0.257 146 E C -0.712 175.836 176.600 -0.087 0.000 1.150 146 E CA -0.364 55.976 56.400 -0.101 0.000 0.942 146 E CB 0.154 29.818 29.700 -0.061 0.000 0.979 146 E HN 0.736 nan 8.360 nan 0.000 0.447 147 D N 2.381 122.747 120.400 -0.057 0.000 2.308 147 D HA 0.283 4.923 4.640 0.000 0.000 0.251 147 D C -1.796 174.480 176.300 -0.040 0.000 1.127 147 D CA -0.830 53.139 54.000 -0.051 0.000 0.876 147 D CB 1.204 41.981 40.800 -0.038 0.000 1.176 147 D HN 0.368 nan 8.370 nan 0.000 0.446 148 P HA 0.073 nan 4.420 nan 0.000 0.274 148 P C -0.536 176.745 177.300 -0.032 0.000 1.237 148 P CA -0.459 62.621 63.100 -0.035 0.000 0.793 148 P CB 1.007 32.676 31.700 -0.051 0.000 0.977 149 Q N 1.917 121.705 119.800 -0.020 0.000 2.307 149 Q HA 0.162 4.502 4.340 0.000 0.000 0.259 149 Q C -0.420 175.572 176.000 -0.014 0.000 0.998 149 Q CA -0.232 55.563 55.803 -0.013 0.000 0.923 149 Q CB 0.364 29.098 28.738 -0.007 0.000 1.196 149 Q HN 0.303 nan 8.270 nan 0.000 0.416 150 R N 3.393 123.887 120.500 -0.009 0.000 2.346 150 R HA 0.355 4.695 4.340 0.000 0.000 0.311 150 R C -0.771 175.537 176.300 0.014 0.000 0.983 150 R CA -0.451 55.651 56.100 0.003 0.000 0.880 150 R CB 1.495 31.804 30.300 0.016 0.000 1.100 150 R HN 0.614 nan 8.270 nan 0.000 0.453 151 E N 2.942 123.150 120.200 0.014 0.000 2.256 151 E HA 0.200 4.550 4.350 0.000 0.000 0.267 151 E C -1.952 174.658 176.600 0.017 0.000 0.892 151 E CA -2.135 54.272 56.400 0.012 0.000 0.775 151 E CB 2.123 31.824 29.700 0.003 0.000 1.207 151 E HN 0.232 nan 8.360 nan 0.000 0.420 152 P HA -0.232 nan 4.420 nan 0.000 0.215 152 P C 0.803 178.107 177.300 0.007 0.000 1.157 152 P CA 1.503 64.612 63.100 0.015 0.000 0.874 152 P CB 0.200 31.904 31.700 0.006 0.000 0.790 153 A N -1.148 121.669 122.820 -0.005 0.000 2.169 153 A HA -0.074 4.246 4.320 0.000 0.000 0.212 153 A C 1.382 178.958 177.584 -0.013 0.000 1.153 153 A CA 0.091 52.118 52.037 -0.018 0.000 0.756 153 A CB -1.020 17.962 19.000 -0.029 0.000 0.813 153 A HN 0.201 nan 8.150 nan 0.000 0.471 154 Q N 0.849 120.648 119.800 -0.001 0.000 2.364 154 Q HA 0.157 4.497 4.340 0.000 0.000 0.267 154 Q C -2.504 173.500 176.000 0.006 0.000 0.999 154 Q CA -1.952 53.850 55.803 -0.002 0.000 0.886 154 Q CB 0.500 29.237 28.738 -0.000 0.000 1.243 154 Q HN 0.113 nan 8.270 nan 0.000 0.415 155 P HA -0.083 nan 4.420 nan 0.000 0.262 155 P C -1.107 176.178 177.300 -0.025 0.000 1.182 155 P CA 0.536 63.636 63.100 -0.000 0.000 0.761 155 P CB 0.952 32.644 31.700 -0.014 0.000 0.795 156 A N 2.840 125.649 122.820 -0.018 0.000 1.964 156 A HA 0.415 4.735 4.320 0.000 0.000 0.198 156 A C -0.170 177.055 177.584 -0.598 0.000 1.599 156 A CA 0.732 52.645 52.037 -0.206 0.000 0.968 156 A CB 0.199 19.211 19.000 0.021 0.000 1.029 156 A HN 0.435 nan 8.150 nan 0.000 0.508 157 F N -0.974 119.044 119.950 0.114 0.000 2.613 157 F HA 0.666 5.193 4.527 0.000 0.000 0.310 157 F C -0.657 175.155 175.800 0.020 0.000 1.085 157 F CA -0.726 57.279 58.000 0.009 0.000 0.945 157 F CB 1.804 40.843 39.000 0.065 0.000 1.298 157 F HN -0.088 nan 8.300 nan 0.000 0.455 158 I N 2.394 122.967 120.570 0.006 0.000 2.436 158 I HA 0.448 4.618 4.170 0.000 0.000 0.289 158 I C -1.330 174.625 176.117 -0.270 0.000 1.010 158 I CA -0.458 60.811 61.300 -0.051 0.000 1.098 158 I CB 1.594 39.533 38.000 -0.101 0.000 1.266 158 I HN 0.384 nan 8.210 nan 0.000 0.434 159 F N 4.680 124.624 119.950 -0.009 0.000 2.546 159 F HA 0.526 5.054 4.527 0.000 0.000 0.320 159 F C -0.583 175.198 175.800 -0.031 0.000 1.076 159 F CA -0.667 57.383 58.000 0.083 0.000 0.928 159 F CB 1.616 40.696 39.000 0.134 0.000 1.189 159 F HN 0.210 nan 8.300 nan 0.000 0.465 160 Y N 0.443 120.938 120.300 0.326 0.000 2.361 160 Y HA 0.574 5.124 4.550 0.000 0.000 0.332 160 Y C 0.353 176.392 175.900 0.232 0.000 1.101 160 Y CA -0.555 57.688 58.100 0.238 0.000 1.137 160 Y CB 2.180 40.742 38.460 0.170 0.000 1.207 160 Y HN 0.496 nan 8.280 nan 0.000 0.463 161 T N 1.401 116.118 114.554 0.271 0.000 2.916 161 T HA 0.309 4.659 4.350 0.000 0.000 0.305 161 T C -0.894 173.875 174.700 0.114 0.000 1.119 161 T CA -0.716 61.489 62.100 0.175 0.000 1.008 161 T CB 1.210 70.139 68.868 0.103 0.000 1.129 161 T HN 0.599 nan 8.240 nan 0.000 0.480 162 S N 2.086 117.847 115.700 0.101 0.000 2.549 162 S HA 0.555 5.025 4.470 0.000 0.000 0.283 162 S C 0.792 175.398 174.600 0.010 0.000 1.320 162 S CA 0.055 58.296 58.200 0.069 0.000 1.058 162 S CB -0.132 63.127 63.200 0.097 0.000 0.882 162 S HN 0.933 nan 8.310 nan 0.000 0.498 163 G N 1.907 110.680 108.800 -0.046 0.000 2.537 163 G HA2 0.374 4.335 3.960 0.000 0.000 0.297 163 G HA3 0.374 4.335 3.960 0.000 0.000 0.297 163 G C 1.047 175.848 174.900 -0.165 0.000 1.310 163 G CA 0.026 45.063 45.100 -0.105 0.000 1.027 163 G HN 0.868 nan 8.290 nan 0.000 0.505 164 T N -3.653 110.749 114.554 -0.253 0.000 3.085 164 T HA 0.203 4.554 4.350 0.000 0.000 0.263 164 T C 0.908 175.178 174.700 -0.716 0.000 1.127 164 T CA 1.124 62.831 62.100 -0.654 0.000 1.103 164 T CB 0.025 68.712 68.868 -0.302 0.000 0.921 164 T HN 0.608 nan 8.240 nan 0.000 0.510 165 T N -0.635 113.720 114.554 -0.332 0.000 2.853 165 T HA 0.550 4.900 4.350 0.000 0.000 0.311 165 T C 0.042 174.672 174.700 -0.117 0.000 1.307 165 T CA 0.532 62.510 62.100 -0.204 0.000 1.019 165 T CB 1.141 69.929 68.868 -0.132 0.000 1.264 165 T HN 1.017 nan 8.240 nan 0.000 0.497 166 G N 1.803 110.561 108.800 -0.071 0.000 2.750 166 G HA2 -0.146 3.814 3.960 0.000 0.000 0.228 166 G HA3 -0.146 3.814 3.960 0.000 0.000 0.228 166 G C -0.511 174.374 174.900 -0.025 0.000 1.367 166 G CA -0.280 44.797 45.100 -0.038 0.000 0.871 166 G HN 0.922 nan 8.290 nan 0.000 0.560 167 L N 2.281 123.501 121.223 -0.005 0.000 2.473 167 L HA 0.278 4.618 4.340 0.000 0.000 0.268 167 L C -0.959 175.934 176.870 0.038 0.000 1.215 167 L CA -1.247 53.602 54.840 0.016 0.000 0.823 167 L CB 0.178 42.252 42.059 0.025 0.000 1.099 167 L HN 0.530 nan 8.230 nan 0.000 0.483 168 P HA 0.021 nan 4.420 nan 0.000 0.268 168 P C -1.310 176.095 177.300 0.176 0.000 1.208 168 P CA -0.061 63.122 63.100 0.138 0.000 0.777 168 P CB 0.329 32.165 31.700 0.226 0.000 0.875 169 K N 0.888 121.324 120.400 0.059 0.000 2.218 169 K HA 0.507 4.827 4.320 0.000 0.000 0.276 169 K C 0.231 176.861 176.600 0.050 0.000 1.022 169 K CA -0.567 55.693 56.287 -0.045 0.000 0.946 169 K CB 0.667 32.840 32.500 -0.545 0.000 1.000 169 K HN 0.390 nan 8.250 nan 0.000 0.468 170 A N 2.247 125.073 122.820 0.011 0.000 2.621 170 A HA 0.455 4.775 4.320 0.000 0.000 0.329 170 A C -0.026 177.584 177.584 0.044 0.000 1.458 170 A CA -0.677 51.156 52.037 -0.340 0.000 1.052 170 A CB -0.223 18.576 19.000 -0.335 0.000 1.142 170 A HN 0.744 nan 8.150 nan 0.000 0.523 171 A N 3.404 126.292 122.820 0.114 0.000 2.444 171 A HA 0.499 4.819 4.320 0.000 0.000 0.273 171 A C 0.099 177.792 177.584 0.180 0.000 1.136 171 A CA -0.084 52.088 52.037 0.224 0.000 0.799 171 A CB -0.436 18.631 19.000 0.112 0.000 1.081 171 A HN 0.746 nan 8.150 nan 0.000 0.509 172 I N 4.531 125.212 120.570 0.184 0.000 2.322 172 I HA 0.131 4.302 4.170 0.000 0.000 0.292 172 I C -0.335 175.880 176.117 0.163 0.000 1.060 172 I CA -0.312 61.062 61.300 0.123 0.000 1.309 172 I CB 0.558 38.581 38.000 0.037 0.000 1.415 172 I HN 0.409 nan 8.210 nan 0.000 0.492 173 I N 9.289 130.001 120.570 0.237 0.000 2.312 173 I HA 0.306 4.476 4.170 0.000 0.000 0.291 173 I C -1.945 174.294 176.117 0.203 0.000 1.031 173 I CA -2.677 58.775 61.300 0.253 0.000 1.293 173 I CB 0.408 38.672 38.000 0.440 0.000 1.403 173 I HN 0.263 nan 8.210 nan 0.000 0.484 174 P HA 0.145 nan 4.420 nan 0.000 0.276 174 P C 0.340 177.711 177.300 0.118 0.000 1.252 174 P CA -0.375 62.769 63.100 0.075 0.000 0.802 174 P CB 1.079 32.786 31.700 0.012 0.000 1.035 175 Q N 1.457 121.320 119.800 0.106 0.000 2.112 175 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 175 Q C 2.035 178.104 176.000 0.114 0.000 0.987 175 Q CA 1.918 57.807 55.803 0.144 0.000 0.858 175 Q CB -0.560 28.243 28.738 0.110 0.000 0.905 175 Q HN 0.618 nan 8.270 nan 0.000 0.420 176 R N 0.073 120.605 120.500 0.053 0.000 2.285 176 R HA 0.080 4.420 4.340 0.000 0.000 0.213 176 R C 1.805 178.088 176.300 -0.028 0.000 1.068 176 R CA 1.056 57.167 56.100 0.018 0.000 1.004 176 R CB -0.250 30.049 30.300 -0.003 0.000 0.873 176 R HN 0.111 nan 8.270 nan 0.000 0.467 177 A N 1.249 124.041 122.820 -0.046 0.000 2.072 177 A HA 0.240 4.560 4.320 0.000 0.000 0.216 177 A C 2.404 179.831 177.584 -0.261 0.000 1.156 177 A CA 0.751 52.689 52.037 -0.165 0.000 0.701 177 A CB -0.280 18.613 19.000 -0.178 0.000 0.816 177 A HN 0.475 nan 8.150 nan 0.000 0.458 178 A N 0.144 122.892 122.820 -0.120 0.000 1.908 178 A HA -0.235 4.085 4.320 0.000 0.000 0.218 178 A C 1.987 179.520 177.584 -0.085 0.000 1.181 178 A CA 1.884 53.874 52.037 -0.079 0.000 0.627 178 A CB -0.530 18.613 19.000 0.238 0.000 0.818 178 A HN 0.633 nan 8.150 nan 0.000 0.445 179 E N 0.039 120.207 120.200 -0.052 0.000 2.051 179 E HA -0.174 4.176 4.350 0.000 0.000 0.192 179 E C 2.291 178.824 176.600 -0.111 0.000 0.991 179 E CA 1.612 57.993 56.400 -0.032 0.000 0.799 179 E CB -0.101 29.607 29.700 0.013 0.000 0.748 179 E HN 0.772 nan 8.360 nan 0.000 0.449 180 S N 0.142 115.659 115.700 -0.305 0.000 2.428 180 S HA -0.069 4.401 4.470 0.000 0.000 0.230 180 S C 1.809 176.184 174.600 -0.374 0.000 1.014 180 S CA 0.468 58.234 58.200 -0.722 0.000 0.957 180 S CB -0.206 62.212 63.200 -1.303 0.000 0.784 180 S HN 0.195 nan 8.310 nan 0.000 0.499 181 R N 0.241 120.578 120.500 -0.272 0.000 2.280 181 R HA 0.178 4.518 4.340 0.000 0.000 0.207 181 R C 1.539 177.943 176.300 0.173 0.000 1.043 181 R CA 0.735 56.756 56.100 -0.132 0.000 1.006 181 R CB -0.198 29.716 30.300 -0.644 0.000 0.885 181 R HN 0.367 nan 8.270 nan 0.000 0.467 182 V N 0.266 120.213 119.914 0.056 0.000 2.690 182 V HA -0.043 4.077 4.120 0.000 0.000 0.240 182 V C 1.915 177.965 176.094 -0.074 0.000 1.078 182 V CA 0.825 63.126 62.300 0.001 0.000 1.102 182 V CB -0.006 31.820 31.823 0.005 0.000 0.800 182 V HN 0.208 nan 8.190 nan 0.000 0.479 183 L N 0.492 121.744 121.223 0.047 0.000 2.376 183 L HA -0.115 4.225 4.340 0.000 0.000 0.219 183 L C 2.424 179.423 176.870 0.216 0.000 1.133 183 L CA 1.337 56.252 54.840 0.124 0.000 0.816 183 L CB -0.586 41.631 42.059 0.265 0.000 0.933 183 L HN 0.581 nan 8.230 nan 0.000 0.449 184 F N -1.540 118.566 119.950 0.260 0.000 2.333 184 F HA -0.192 4.335 4.527 0.000 0.000 0.300 184 F C 2.224 178.035 175.800 0.018 0.000 1.083 184 F CA 0.843 58.974 58.000 0.217 0.000 1.395 184 F CB -0.563 38.548 39.000 0.184 0.000 1.056 184 F HN -0.028 nan 8.300 nan 0.000 0.529 185 M N 0.272 119.360 119.600 -0.854 0.000 2.374 185 M HA -0.105 4.375 4.480 0.000 0.000 0.264 185 M C 2.393 178.476 176.300 -0.362 0.000 1.067 185 M CA 1.171 56.042 55.300 -0.715 0.000 1.103 185 M CB -1.276 30.943 32.600 -0.634 0.000 1.402 185 M HN 0.469 nan 8.290 nan 0.000 0.444 186 S N 0.016 115.575 115.700 -0.234 0.000 2.371 186 S HA -0.073 4.397 4.470 0.000 0.000 0.219 186 S C 2.019 176.526 174.600 -0.155 0.000 1.040 186 S CA 1.742 59.844 58.200 -0.163 0.000 0.958 186 S CB -0.144 62.989 63.200 -0.112 0.000 0.860 186 S HN 0.613 nan 8.310 nan 0.000 0.487 187 T N -0.900 113.564 114.554 -0.150 0.000 2.857 187 T HA 0.027 4.378 4.350 0.000 0.000 0.266 187 T C 1.804 176.394 174.700 -0.183 0.000 1.048 187 T CA 1.102 63.084 62.100 -0.196 0.000 1.139 187 T CB -0.334 68.356 68.868 -0.297 0.000 0.874 187 T HN 0.256 nan 8.240 nan 0.000 0.455 188 Q N 0.307 119.982 119.800 -0.208 0.000 2.178 188 Q HA 0.331 4.671 4.340 0.000 0.000 0.195 188 Q C 2.519 178.431 176.000 -0.148 0.000 0.960 188 Q CA 0.829 56.379 55.803 -0.422 0.000 0.843 188 Q CB -0.252 28.188 28.738 -0.497 0.000 0.927 188 Q HN 0.413 nan 8.270 nan 0.000 0.487 189 V N -0.956 118.862 119.914 -0.160 0.000 2.788 189 V HA 0.137 4.257 4.120 0.000 0.000 0.251 189 V C 1.248 177.259 176.094 -0.139 0.000 1.068 189 V CA 1.265 63.466 62.300 -0.165 0.000 1.090 189 V CB -0.252 31.374 31.823 -0.329 0.000 0.710 189 V HN 0.602 nan 8.190 nan 0.000 0.467 190 G N 0.194 108.905 108.800 -0.148 0.000 2.131 190 G HA2 -0.208 3.752 3.960 0.000 0.000 0.223 190 G HA3 -0.208 3.752 3.960 0.000 0.000 0.223 190 G C 0.078 174.887 174.900 -0.151 0.000 0.990 190 G CA 0.032 45.081 45.100 -0.085 0.000 0.671 190 G HN 0.406 nan 8.290 nan 0.000 0.521 191 L N 0.417 121.464 121.223 -0.295 0.000 2.467 191 L HA 0.510 4.850 4.340 0.000 0.000 0.270 191 L C 1.306 178.124 176.870 -0.086 0.000 1.205 191 L CA -0.002 54.691 54.840 -0.245 0.000 0.828 191 L CB 0.431 42.320 42.059 -0.284 0.000 1.101 191 L HN 0.562 nan 8.230 nan 0.000 0.479 192 R N 0.586 121.098 120.500 0.020 0.000 2.867 192 R HA 0.397 4.737 4.340 0.000 0.000 0.268 192 R C -0.458 175.906 176.300 0.108 0.000 1.014 192 R CA -0.989 55.151 56.100 0.067 0.000 0.946 192 R CB 1.250 31.599 30.300 0.082 0.000 1.208 192 R HN 0.560 nan 8.270 nan 0.000 0.477 193 H N 0.093 119.181 119.070 0.030 0.000 3.001 193 H HA 0.304 4.860 4.556 0.000 0.000 0.334 193 H C -0.333 175.050 175.328 0.092 0.000 1.034 193 H CA 2.061 58.115 56.048 0.009 0.000 1.420 193 H CB 0.609 30.363 29.762 -0.013 0.000 1.405 193 H HN 0.899 nan 8.280 nan 0.000 0.593 194 G N 4.035 112.363 108.800 -0.785 0.000 2.352 194 G HA2 -0.021 3.939 3.960 0.000 0.000 0.305 194 G HA3 -0.021 3.939 3.960 0.000 0.000 0.305 194 G C 0.099 174.659 174.900 -0.568 0.000 1.537 194 G CA -0.701 44.074 45.100 -0.542 0.000 0.959 194 G HN 0.609 nan 8.290 nan 0.000 0.668 195 R N -0.063 120.188 120.500 -0.415 0.000 2.316 195 R HA -0.018 4.323 4.340 0.000 0.000 0.202 195 R C 2.116 178.270 176.300 -0.243 0.000 1.029 195 R CA 1.155 56.935 56.100 -0.532 0.000 1.018 195 R CB -0.210 29.625 30.300 -0.775 0.000 0.888 195 R HN 0.767 nan 8.270 nan 0.000 0.471 196 H N -0.292 118.703 119.070 -0.125 0.000 2.457 196 H HA 0.037 4.593 4.556 0.000 0.000 0.294 196 H C -0.022 175.310 175.328 0.006 0.000 1.064 196 H CA 0.294 56.323 56.048 -0.032 0.000 1.330 196 H CB -0.334 29.408 29.762 -0.032 0.000 1.395 196 H HN -0.027 nan 8.280 nan 0.000 0.541 197 N N 1.951 120.301 118.700 -0.583 0.000 2.434 197 N HA 0.060 4.800 4.740 0.000 0.000 0.268 197 N C -0.821 174.649 175.510 -0.067 0.000 1.256 197 N CA 0.218 53.084 53.050 -0.307 0.000 0.914 197 N CB 1.705 39.980 38.487 -0.353 0.000 1.088 197 N HN 0.074 nan 8.380 nan 0.000 0.478 198 V N 3.525 123.434 119.914 -0.009 0.000 2.380 198 V HA 0.236 4.356 4.120 0.000 0.000 0.286 198 V C 0.099 176.192 176.094 -0.001 0.000 1.015 198 V CA -0.785 61.521 62.300 0.011 0.000 0.834 198 V CB 1.787 33.623 31.823 0.022 0.000 1.009 198 V HN 0.230 nan 8.190 nan 0.000 0.428 199 V N 5.985 125.890 119.914 -0.015 0.000 2.398 199 V HA 0.402 4.522 4.120 0.000 0.000 0.286 199 V C -0.124 175.901 176.094 -0.115 0.000 1.026 199 V CA -0.653 61.633 62.300 -0.024 0.000 0.868 199 V CB 1.782 33.620 31.823 0.026 0.000 0.982 199 V HN 0.661 nan 8.190 nan 0.000 0.443 200 L N 4.928 126.092 121.223 -0.098 0.000 2.315 200 L HA 0.519 4.860 4.340 0.000 0.000 0.283 200 L C 1.137 177.868 176.870 -0.233 0.000 1.089 200 L CA 0.471 55.214 54.840 -0.161 0.000 0.833 200 L CB 0.926 42.942 42.059 -0.071 0.000 1.170 200 L HN 0.707 nan 8.230 nan 0.000 0.442 201 G N 5.922 114.444 108.800 -0.463 0.000 3.401 201 G HA2 0.168 4.128 3.960 0.000 0.000 0.251 201 G HA3 0.168 4.128 3.960 0.000 0.000 0.251 201 G C 0.981 175.768 174.900 -0.188 0.000 0.960 201 G CA -0.268 44.555 45.100 -0.462 0.000 1.900 201 G HN 0.751 nan 8.290 nan 0.000 0.645 202 L N -0.007 121.115 121.223 -0.169 0.000 2.093 202 L HA 0.086 4.426 4.340 0.000 0.000 0.208 202 L C 1.577 178.307 176.870 -0.233 0.000 1.085 202 L CA 0.569 55.286 54.840 -0.206 0.000 0.755 202 L CB -0.236 41.593 42.059 -0.383 0.000 0.904 202 L HN 0.315 nan 8.230 nan 0.000 0.435 203 M N 0.512 119.973 119.600 -0.232 0.000 2.217 203 M HA 0.221 4.701 4.480 0.000 0.000 0.354 203 M C -2.123 174.083 176.300 -0.158 0.000 1.225 203 M CA -2.151 53.022 55.300 -0.211 0.000 1.137 203 M CB -0.033 32.409 32.600 -0.263 0.000 1.576 203 M HN -0.288 nan 8.290 nan 0.000 0.461 204 P HA 0.035 nan 4.420 nan 0.000 0.264 204 P C 0.698 177.723 177.300 -0.458 0.000 1.183 204 P CA 0.157 62.939 63.100 -0.530 0.000 0.763 204 P CB 0.353 31.391 31.700 -1.103 0.000 0.807 205 L N 2.480 123.520 121.223 -0.304 0.000 2.291 205 L HA -0.135 4.205 4.340 0.000 0.000 0.214 205 L C 1.602 178.469 176.870 -0.005 0.000 1.120 205 L CA 1.171 55.978 54.840 -0.055 0.000 0.799 205 L CB -0.761 41.337 42.059 0.065 0.000 0.925 205 L HN 0.516 nan 8.230 nan 0.000 0.446 206 Y N -3.085 117.195 120.300 -0.033 0.000 2.471 206 Y HA 0.248 4.799 4.550 0.000 0.000 0.286 206 Y C 0.599 176.531 175.900 0.053 0.000 1.188 206 Y CA -0.714 57.346 58.100 -0.067 0.000 1.286 206 Y CB -0.799 37.540 38.460 -0.202 0.000 1.072 206 Y HN 0.064 nan 8.280 nan 0.000 0.517 207 H N -0.246 118.917 119.070 0.155 0.000 2.731 207 H HA 0.269 4.825 4.556 0.000 0.000 0.368 207 H C 1.202 176.425 175.328 -0.175 0.000 1.168 207 H CA -0.722 55.388 56.048 0.102 0.000 1.181 207 H CB 2.237 31.976 29.762 -0.038 0.000 1.743 207 H HN 0.046 nan 8.280 nan 0.000 0.547 208 V N 0.059 119.766 119.914 -0.346 0.000 2.490 208 V HA -0.181 3.939 4.120 0.000 0.000 0.250 208 V C 1.764 177.804 176.094 -0.090 0.000 1.061 208 V CA 1.417 63.445 62.300 -0.454 0.000 1.064 208 V CB -1.093 30.498 31.823 -0.387 0.000 0.670 208 V HN 0.415 nan 8.190 nan 0.000 0.461 209 V N 2.008 121.850 119.914 -0.120 0.000 2.244 209 V HA -0.062 4.058 4.120 0.000 0.000 0.244 209 V C 3.003 178.989 176.094 -0.179 0.000 1.042 209 V CA 2.409 64.598 62.300 -0.186 0.000 1.006 209 V CB -1.646 29.941 31.823 -0.393 0.000 0.641 209 V HN 0.606 nan 8.190 nan 0.000 0.446 210 G N -1.222 107.484 108.800 -0.157 0.000 2.450 210 G HA2 -0.292 3.668 3.960 0.000 0.000 0.220 210 G HA3 -0.292 3.668 3.960 0.000 0.000 0.220 210 G C 1.495 176.355 174.900 -0.067 0.000 1.130 210 G CA 1.073 46.104 45.100 -0.114 0.000 0.760 210 G HN 0.437 nan 8.290 nan 0.000 0.557 211 F N 0.467 120.283 119.950 -0.222 0.000 2.049 211 F HA 0.240 4.768 4.527 0.000 0.000 0.288 211 F C 2.396 177.967 175.800 -0.382 0.000 1.141 211 F CA 0.987 58.775 58.000 -0.353 0.000 1.165 211 F CB -0.380 38.359 39.000 -0.435 0.000 1.012 211 F HN 0.102 nan 8.300 nan 0.000 0.475 212 F N 0.272 120.078 119.950 -0.240 0.000 2.098 212 F HA -0.002 4.525 4.527 0.000 0.000 0.294 212 F C 2.518 178.204 175.800 -0.190 0.000 1.107 212 F CA 1.178 59.006 58.000 -0.287 0.000 1.234 212 F CB -1.071 37.864 39.000 -0.107 0.000 1.002 212 F HN 0.066 nan 8.300 nan 0.000 0.472 213 A N -0.769 122.129 122.820 0.130 0.000 2.072 213 A HA 0.098 4.419 4.320 0.000 0.000 0.216 213 A C 1.926 179.540 177.584 0.049 0.000 1.156 213 A CA 1.226 53.337 52.037 0.122 0.000 0.701 213 A CB -0.570 18.648 19.000 0.364 0.000 0.816 213 A HN 0.194 nan 8.150 nan 0.000 0.458 214 V N -1.211 118.693 119.914 -0.017 0.000 2.784 214 V HA 0.044 4.164 4.120 0.000 0.000 0.231 214 V C 2.144 178.242 176.094 0.008 0.000 1.128 214 V CA 0.876 63.196 62.300 0.034 0.000 1.178 214 V CB -0.799 31.051 31.823 0.045 0.000 0.943 214 V HN 0.466 nan 8.190 nan 0.000 0.500 215 L N 0.593 121.713 121.223 -0.171 0.000 1.961 215 L HA -0.091 4.249 4.340 0.000 0.000 0.210 215 L C 2.312 178.928 176.870 -0.424 0.000 1.072 215 L CA 2.223 56.760 54.840 -0.504 0.000 0.749 215 L CB -0.565 40.999 42.059 -0.825 0.000 0.889 215 L HN 0.131 nan 8.230 nan 0.000 0.432 216 V N 0.465 120.059 119.914 -0.534 0.000 2.295 216 V HA -0.299 3.821 4.120 0.000 0.000 0.246 216 V C 2.853 178.835 176.094 -0.187 0.000 1.049 216 V CA 1.747 63.800 62.300 -0.412 0.000 1.024 216 V CB -1.580 29.935 31.823 -0.513 0.000 0.648 216 V HN 0.649 nan 8.190 nan 0.000 0.447 217 A N 0.052 122.787 122.820 -0.142 0.000 1.908 217 A HA -0.154 4.166 4.320 0.000 0.000 0.218 217 A C 2.442 179.988 177.584 -0.063 0.000 1.181 217 A CA 2.249 54.233 52.037 -0.089 0.000 0.627 217 A CB -0.827 18.110 19.000 -0.105 0.000 0.818 217 A HN 0.590 nan 8.150 nan 0.000 0.445 218 A N -0.223 122.573 122.820 -0.040 0.000 1.883 218 A HA -0.065 4.255 4.320 0.000 0.000 0.217 218 A C 2.185 179.788 177.584 0.032 0.000 1.186 218 A CA 1.630 53.672 52.037 0.009 0.000 0.624 218 A CB -0.602 18.461 19.000 0.105 0.000 0.822 218 A HN 0.489 nan 8.150 nan 0.000 0.444 219 L N -1.108 120.125 121.223 0.018 0.000 2.095 219 L HA -0.063 4.277 4.340 0.000 0.000 0.204 219 L C 3.014 179.978 176.870 0.158 0.000 1.080 219 L CA 0.871 55.784 54.840 0.121 0.000 0.759 219 L CB -0.612 41.442 42.059 -0.009 0.000 0.914 219 L HN 0.400 nan 8.230 nan 0.000 0.439 220 A N 0.164 123.013 122.820 0.048 0.000 2.019 220 A HA -0.099 4.221 4.320 0.000 0.000 0.219 220 A C 2.065 179.683 177.584 0.056 0.000 1.164 220 A CA 1.232 53.298 52.037 0.049 0.000 0.644 220 A CB -0.565 18.446 19.000 0.018 0.000 0.805 220 A HN 0.413 nan 8.150 nan 0.000 0.449 221 L N -0.902 120.330 121.223 0.015 0.000 2.611 221 L HA 0.070 4.411 4.340 0.000 0.000 0.229 221 L C -0.243 176.514 176.870 -0.189 0.000 1.137 221 L CA 0.072 54.890 54.840 -0.036 0.000 0.901 221 L CB -0.229 41.769 42.059 -0.102 0.000 1.098 221 L HN 0.269 nan 8.230 nan 0.000 0.456 222 D N -0.733 119.609 120.400 -0.098 0.000 3.068 222 D HA -0.138 4.502 4.640 0.000 0.000 0.218 222 D C 0.643 176.869 176.300 -0.124 0.000 1.145 222 D CA 1.103 54.965 54.000 -0.230 0.000 0.896 222 D CB -1.269 39.334 40.800 -0.329 0.000 1.105 222 D HN 0.487 nan 8.370 nan 0.000 0.423 223 G N -1.361 107.463 108.800 0.041 0.000 2.736 223 G HA2 0.651 4.611 3.960 0.000 0.000 0.229 223 G HA3 0.651 4.611 3.960 0.000 0.000 0.229 223 G C -0.319 174.753 174.900 0.287 0.000 1.380 223 G CA -0.189 44.982 45.100 0.119 0.000 1.040 223 G HN 0.078 nan 8.290 nan 0.000 0.568 224 T N -0.255 114.397 114.554 0.164 0.000 2.807 224 T HA 0.385 4.736 4.350 0.000 0.000 0.279 224 T C -1.536 173.217 174.700 0.088 0.000 0.993 224 T CA -0.049 62.106 62.100 0.091 0.000 0.970 224 T CB 1.416 70.298 68.868 0.024 0.000 0.950 224 T HN 0.360 nan 8.240 nan 0.000 0.441 225 Y N 3.464 123.728 120.300 -0.059 0.000 2.353 225 Y HA 0.530 5.080 4.550 0.000 0.000 0.340 225 Y C -0.649 175.220 175.900 -0.053 0.000 0.972 225 Y CA -0.863 57.200 58.100 -0.061 0.000 1.157 225 Y CB 0.672 39.082 38.460 -0.084 0.000 1.157 225 Y HN 0.376 nan 8.280 nan 0.000 0.495 226 V N 7.845 127.503 119.914 -0.426 0.000 2.368 226 V HA 0.167 4.287 4.120 0.000 0.000 0.266 226 V C -0.137 175.637 176.094 -0.533 0.000 1.045 226 V CA -0.871 61.228 62.300 -0.336 0.000 0.899 226 V CB 0.674 32.375 31.823 -0.203 0.000 1.006 226 V HN 0.604 nan 8.190 nan 0.000 0.470 227 V N 6.286 126.029 119.914 -0.284 0.000 2.585 227 V HA 0.164 4.285 4.120 0.000 0.000 0.296 227 V C 0.199 176.230 176.094 -0.106 0.000 1.035 227 V CA 0.039 62.249 62.300 -0.149 0.000 1.084 227 V CB 1.387 33.242 31.823 0.054 0.000 0.953 227 V HN 0.621 nan 8.190 nan 0.000 0.483 228 V N 4.981 124.853 119.914 -0.070 0.000 2.409 228 V HA 0.316 4.436 4.120 0.000 0.000 0.290 228 V C 0.646 176.768 176.094 0.048 0.000 1.017 228 V CA -0.433 61.864 62.300 -0.005 0.000 0.841 228 V CB 1.283 33.111 31.823 0.009 0.000 1.003 228 V HN 0.955 nan 8.190 nan 0.000 0.426 229 E N 2.759 122.991 120.200 0.052 0.000 2.230 229 E HA 0.059 4.409 4.350 0.000 0.000 0.192 229 E C 0.574 177.225 176.600 0.084 0.000 0.987 229 E CA 0.453 56.892 56.400 0.065 0.000 0.841 229 E CB 0.837 30.566 29.700 0.047 0.000 0.783 229 E HN 0.772 nan 8.360 nan 0.000 0.481 230 E N 0.153 120.409 120.200 0.093 0.000 2.304 230 E HA 0.131 4.481 4.350 0.000 0.000 0.277 230 E C -1.585 175.111 176.600 0.160 0.000 0.898 230 E CA -0.616 55.854 56.400 0.116 0.000 0.764 230 E CB 1.083 30.824 29.700 0.068 0.000 1.216 230 E HN -0.114 nan 8.360 nan 0.000 0.419 231 F N 4.889 124.871 119.950 0.054 0.000 2.471 231 F HA 0.391 4.918 4.527 0.000 0.000 0.365 231 F C -0.589 175.232 175.800 0.035 0.000 1.095 231 F CA -0.140 57.898 58.000 0.063 0.000 1.174 231 F CB 0.338 39.408 39.000 0.117 0.000 1.105 231 F HN 0.373 nan 8.300 nan 0.000 0.535 232 R N 8.169 128.350 120.500 -0.530 0.000 2.507 232 R HA 0.221 4.562 4.340 0.000 0.000 0.298 232 R C -2.056 173.866 176.300 -0.630 0.000 1.087 232 R CA -1.622 54.151 56.100 -0.545 0.000 0.917 232 R CB 1.549 31.709 30.300 -0.232 0.000 1.173 232 R HN 0.372 nan 8.270 nan 0.000 0.472 233 P HA -0.148 nan 4.420 nan 0.000 0.218 233 P C 1.251 178.432 177.300 -0.197 0.000 1.148 233 P CA 0.956 63.767 63.100 -0.480 0.000 0.822 233 P CB 0.404 31.902 31.700 -0.338 0.000 0.784 234 V N 1.071 120.876 119.914 -0.181 0.000 2.307 234 V HA -0.190 3.930 4.120 0.000 0.000 0.245 234 V C 2.192 178.240 176.094 -0.076 0.000 1.045 234 V CA 2.276 64.516 62.300 -0.100 0.000 1.024 234 V CB -1.333 30.439 31.823 -0.085 0.000 0.651 234 V HN 0.038 nan 8.190 nan 0.000 0.449 235 D N 0.498 120.841 120.400 -0.096 0.000 2.144 235 D HA -0.111 4.529 4.640 0.000 0.000 0.199 235 D C 2.211 178.486 176.300 -0.042 0.000 0.984 235 D CA 1.550 55.512 54.000 -0.064 0.000 0.834 235 D CB -0.381 40.377 40.800 -0.069 0.000 0.955 235 D HN 0.422 nan 8.370 nan 0.000 0.465 236 A N 0.680 123.472 122.820 -0.047 0.000 1.883 236 A HA -0.146 4.174 4.320 0.000 0.000 0.217 236 A C 2.343 179.940 177.584 0.022 0.000 1.186 236 A CA 1.030 53.078 52.037 0.018 0.000 0.624 236 A CB -0.829 18.232 19.000 0.103 0.000 0.822 236 A HN 0.230 nan 8.150 nan 0.000 0.444 237 L N -0.999 120.231 121.223 0.012 0.000 2.131 237 L HA -0.239 4.102 4.340 0.000 0.000 0.210 237 L C 2.849 179.724 176.870 0.008 0.000 1.092 237 L CA 1.437 56.287 54.840 0.017 0.000 0.759 237 L CB -0.603 41.465 42.059 0.014 0.000 0.903 237 L HN 0.507 nan 8.230 nan 0.000 0.435 238 Q N -0.146 119.651 119.800 -0.004 0.000 2.119 238 Q HA -0.162 4.178 4.340 0.000 0.000 0.201 238 Q C 2.395 178.392 176.000 -0.005 0.000 0.972 238 Q CA 1.146 56.945 55.803 -0.006 0.000 0.847 238 Q CB -0.061 28.669 28.738 -0.013 0.000 0.903 238 Q HN 0.520 nan 8.270 nan 0.000 0.433 239 L N -0.122 121.097 121.223 -0.006 0.000 2.046 239 L HA -0.185 4.155 4.340 0.000 0.000 0.208 239 L C 2.315 179.182 176.870 -0.005 0.000 1.077 239 L CA 0.741 55.575 54.840 -0.010 0.000 0.747 239 L CB -0.428 41.623 42.059 -0.015 0.000 0.896 239 L HN 0.125 nan 8.230 nan 0.000 0.432 240 V N -0.257 119.659 119.914 0.005 0.000 2.332 240 V HA -0.349 3.771 4.120 0.000 0.000 0.248 240 V C 2.449 178.549 176.094 0.010 0.000 1.055 240 V CA 1.886 64.193 62.300 0.011 0.000 1.038 240 V CB -0.522 31.316 31.823 0.024 0.000 0.651 240 V HN 0.530 nan 8.190 nan 0.000 0.450 241 Q N -0.742 119.064 119.800 0.009 0.000 2.049 241 Q HA -0.247 4.093 4.340 0.000 0.000 0.198 241 Q C 2.371 178.374 176.000 0.005 0.000 0.971 241 Q CA 1.779 57.587 55.803 0.009 0.000 0.833 241 Q CB -0.193 28.549 28.738 0.008 0.000 0.896 241 Q HN 0.693 nan 8.270 nan 0.000 0.434 242 Q N 0.457 120.257 119.800 0.000 0.000 2.079 242 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 242 Q C 1.335 177.333 176.000 -0.004 0.000 0.974 242 Q CA 1.073 56.874 55.803 -0.003 0.000 0.840 242 Q CB 0.321 29.054 28.738 -0.007 0.000 0.898 242 Q HN 0.206 nan 8.270 nan 0.000 0.430 243 E N 0.075 120.270 120.200 -0.007 0.000 2.474 243 E HA -0.024 4.327 4.350 0.000 0.000 0.194 243 E C -0.176 176.424 176.600 0.001 0.000 1.041 243 E CA 0.137 56.531 56.400 -0.010 0.000 0.874 243 E CB 0.533 30.219 29.700 -0.024 0.000 0.914 243 E HN 0.305 nan 8.360 nan 0.000 0.498 244 Q N -0.067 119.737 119.800 0.008 0.000 2.460 244 Q HA -0.150 4.191 4.340 0.000 0.000 0.311 244 Q C -0.418 175.597 176.000 0.024 0.000 1.396 244 Q CA 0.303 56.117 55.803 0.019 0.000 0.838 244 Q CB -2.477 26.276 28.738 0.025 0.000 1.140 244 Q HN 0.074 nan 8.270 nan 0.000 0.415 245 V N 1.184 121.108 119.914 0.017 0.000 2.617 245 V HA -0.022 4.099 4.120 0.000 0.000 0.304 245 V C 1.959 178.078 176.094 0.042 0.000 1.040 245 V CA 1.545 63.857 62.300 0.020 0.000 1.149 245 V CB 1.070 32.898 31.823 0.010 0.000 0.914 245 V HN 0.672 nan 8.190 nan 0.000 0.487 246 T N -0.219 114.371 114.554 0.060 0.000 3.015 246 T HA 0.158 4.508 4.350 0.000 0.000 0.250 246 T C 0.580 175.368 174.700 0.148 0.000 1.057 246 T CA 0.460 62.620 62.100 0.101 0.000 1.066 246 T CB 0.258 69.211 68.868 0.142 0.000 0.959 246 T HN 0.796 nan 8.240 nan 0.000 0.488 247 S N 1.335 117.103 115.700 0.113 0.000 2.536 247 S HA 0.709 5.179 4.470 0.000 0.000 0.271 247 S C -1.390 173.256 174.600 0.078 0.000 1.134 247 S CA -1.127 57.150 58.200 0.127 0.000 0.897 247 S CB 2.120 65.377 63.200 0.095 0.000 1.094 247 S HN 0.734 nan 8.310 nan 0.000 0.473 248 L N 0.485 121.764 121.223 0.094 0.000 2.436 248 L HA 0.923 5.264 4.340 0.000 0.000 0.268 248 L C -1.779 175.190 176.870 0.166 0.000 0.974 248 L CA -0.749 54.148 54.840 0.095 0.000 0.826 248 L CB 1.689 43.787 42.059 0.064 0.000 1.291 248 L HN 0.729 nan 8.230 nan 0.000 0.406 249 F N 3.829 123.760 119.950 -0.033 0.000 2.499 249 F HA 0.930 5.457 4.527 0.000 0.000 0.333 249 F C -0.452 175.302 175.800 -0.076 0.000 1.138 249 F CA -0.560 57.429 58.000 -0.019 0.000 0.945 249 F CB 1.241 40.226 39.000 -0.025 0.000 1.181 249 F HN 1.090 nan 8.300 nan 0.000 0.435 250 A N 2.888 125.897 122.820 0.316 0.000 2.567 250 A HA 0.730 5.050 4.320 0.000 0.000 0.289 250 A C -0.506 177.176 177.584 0.164 0.000 1.177 250 A CA -0.306 51.706 52.037 -0.041 0.000 0.694 250 A CB 0.900 19.699 19.000 -0.334 0.000 1.292 250 A HN 0.723 nan 8.150 nan 0.000 0.425 251 T N -1.444 113.233 114.554 0.205 0.000 2.828 251 T HA 0.442 4.792 4.350 0.000 0.000 0.290 251 T C -1.972 172.820 174.700 0.153 0.000 1.019 251 T CA -0.957 61.270 62.100 0.211 0.000 1.031 251 T CB 0.604 69.579 68.868 0.179 0.000 1.001 251 T HN 0.227 nan 8.240 nan 0.000 0.531 252 P HA -0.086 nan 4.420 nan 0.000 0.217 252 P C 1.593 178.859 177.300 -0.058 0.000 1.148 252 P CA 1.107 64.197 63.100 -0.016 0.000 0.828 252 P CB -0.246 31.446 31.700 -0.015 0.000 0.783 253 T N -1.658 112.852 114.554 -0.075 0.000 2.674 253 T HA -0.190 4.160 4.350 0.000 0.000 0.265 253 T C 1.603 176.163 174.700 -0.233 0.000 1.039 253 T CA 1.265 63.232 62.100 -0.222 0.000 1.150 253 T CB -1.029 67.663 68.868 -0.294 0.000 0.864 253 T HN 0.270 nan 8.240 nan 0.000 0.427 254 H N 0.947 119.883 119.070 -0.224 0.000 2.319 254 H HA -0.022 4.535 4.556 0.000 0.000 0.297 254 H C 2.350 177.635 175.328 -0.072 0.000 1.097 254 H CA 1.316 57.181 56.048 -0.305 0.000 1.285 254 H CB -0.458 29.059 29.762 -0.408 0.000 1.368 254 H HN 0.298 nan 8.280 nan 0.000 0.495 255 L N 0.098 121.365 121.223 0.072 0.000 2.156 255 L HA -0.127 4.213 4.340 0.000 0.000 0.208 255 L C 2.318 179.184 176.870 -0.006 0.000 1.095 255 L CA 0.912 55.774 54.840 0.037 0.000 0.770 255 L CB -0.310 41.735 42.059 -0.022 0.000 0.914 255 L HN 0.161 nan 8.230 nan 0.000 0.439 256 D N 0.485 120.854 120.400 -0.052 0.000 2.104 256 D HA -0.191 4.450 4.640 0.000 0.000 0.194 256 D C 2.175 178.444 176.300 -0.051 0.000 0.994 256 D CA 1.512 55.469 54.000 -0.071 0.000 0.830 256 D CB 0.189 40.918 40.800 -0.120 0.000 0.959 256 D HN 0.236 nan 8.370 nan 0.000 0.452 257 A N -0.158 122.652 122.820 -0.018 0.000 1.930 257 A HA -0.055 4.265 4.320 0.000 0.000 0.217 257 A C 2.419 180.032 177.584 0.049 0.000 1.175 257 A CA 0.919 52.967 52.037 0.019 0.000 0.627 257 A CB -0.718 18.372 19.000 0.150 0.000 0.815 257 A HN 0.346 nan 8.150 nan 0.000 0.443 258 L N -0.903 120.402 121.223 0.137 0.000 2.056 258 L HA -0.145 4.195 4.340 0.000 0.000 0.207 258 L C 3.083 179.980 176.870 0.045 0.000 1.078 258 L CA 1.023 55.933 54.840 0.117 0.000 0.749 258 L CB -0.464 41.698 42.059 0.172 0.000 0.901 258 L HN 0.426 nan 8.230 nan 0.000 0.433 259 A N -0.147 122.693 122.820 0.034 0.000 1.930 259 A HA -0.123 4.197 4.320 0.000 0.000 0.217 259 A C 2.490 180.041 177.584 -0.054 0.000 1.175 259 A CA 1.561 53.620 52.037 0.036 0.000 0.627 259 A CB -0.590 18.450 19.000 0.066 0.000 0.815 259 A HN 0.402 nan 8.150 nan 0.000 0.443 260 A N -0.058 122.711 122.820 -0.085 0.000 1.898 260 A HA 0.191 4.511 4.320 0.000 0.000 0.216 260 A C 2.499 179.971 177.584 -0.187 0.000 1.181 260 A CA 1.960 53.898 52.037 -0.165 0.000 0.620 260 A CB -0.984 17.893 19.000 -0.204 0.000 0.819 260 A HN 1.002 nan 8.150 nan 0.000 0.442 261 A N -0.076 122.661 122.820 -0.138 0.000 1.902 261 A HA 0.168 4.488 4.320 0.000 0.000 0.217 261 A C 2.513 180.083 177.584 -0.023 0.000 1.181 261 A CA 2.080 54.059 52.037 -0.096 0.000 0.623 261 A CB -1.056 17.895 19.000 -0.082 0.000 0.818 261 A HN 1.049 nan 8.150 nan 0.000 0.443 262 A N 0.032 122.842 122.820 -0.016 0.000 1.883 262 A HA 0.079 4.400 4.320 0.000 0.000 0.217 262 A C 2.543 180.122 177.584 -0.009 0.000 1.186 262 A CA 2.427 54.473 52.037 0.015 0.000 0.624 262 A CB -1.163 17.874 19.000 0.060 0.000 0.822 262 A HN 1.126 nan 8.150 nan 0.000 0.444 263 A N -1.076 121.654 122.820 -0.149 0.000 1.908 263 A HA -0.195 4.125 4.320 0.000 0.000 0.218 263 A C 1.972 179.541 177.584 -0.026 0.000 1.181 263 A CA 2.028 53.903 52.037 -0.270 0.000 0.627 263 A CB -0.913 17.681 19.000 -0.678 0.000 0.818 263 A HN 0.641 nan 8.150 nan 0.000 0.445 264 H N -0.464 118.526 119.070 -0.134 0.000 2.521 264 H HA 0.208 4.764 4.556 0.000 0.000 0.286 264 H C 2.170 177.469 175.328 -0.049 0.000 1.034 264 H CA 0.674 56.674 56.048 -0.079 0.000 1.278 264 H CB -0.238 29.480 29.762 -0.073 0.000 1.386 264 H HN 0.507 nan 8.280 nan 0.000 0.567 265 A N 0.164 123.021 122.820 0.061 0.000 2.172 265 A HA 0.294 4.614 4.320 0.000 0.000 0.216 265 A C 1.441 179.033 177.584 0.014 0.000 1.154 265 A CA 0.983 53.038 52.037 0.030 0.000 0.701 265 A CB -0.646 18.370 19.000 0.027 0.000 0.789 265 A HN 0.597 nan 8.150 nan 0.000 0.465 266 G N -1.484 107.319 108.800 0.005 0.000 2.757 266 G HA2 -0.055 3.905 3.960 0.000 0.000 0.638 266 G HA3 -0.055 3.905 3.960 0.000 0.000 0.638 266 G C 0.733 175.644 174.900 0.019 0.000 1.344 266 G CA 0.359 45.458 45.100 -0.002 0.000 0.855 266 G HN 1.386 nan 8.290 nan 0.000 0.537 267 S N -1.086 114.624 115.700 0.016 0.000 2.474 267 S HA -0.014 4.456 4.470 0.000 0.000 0.235 267 S C 2.418 177.032 174.600 0.022 0.000 0.997 267 S CA 2.073 60.288 58.200 0.024 0.000 0.949 267 S CB -0.259 62.951 63.200 0.017 0.000 0.766 267 S HN 2.286 nan 8.310 nan 0.000 0.517 268 S N 0.669 116.379 115.700 0.017 0.000 2.527 268 S HA 0.193 4.663 4.470 0.000 0.000 0.222 268 S C 0.549 175.160 174.600 0.019 0.000 0.985 268 S CA -0.459 57.750 58.200 0.015 0.000 0.921 268 S CB -0.756 62.450 63.200 0.010 0.000 0.772 268 S HN 0.450 nan 8.310 nan 0.000 0.529 269 L N 2.948 124.186 121.223 0.025 0.000 2.559 269 L HA 0.451 4.791 4.340 0.000 0.000 0.274 269 L C 0.067 176.954 176.870 0.029 0.000 1.205 269 L CA 0.769 55.626 54.840 0.028 0.000 0.907 269 L CB -0.436 41.645 42.059 0.037 0.000 1.153 269 L HN 0.359 nan 8.230 nan 0.000 0.490 270 K N 6.194 126.608 120.400 0.024 0.000 2.426 270 K HA 0.670 4.990 4.320 0.000 0.000 0.254 270 K C -0.850 175.763 176.600 0.022 0.000 0.936 270 K CA -0.337 55.963 56.287 0.022 0.000 0.801 270 K CB 0.949 33.459 32.500 0.016 0.000 1.139 270 K HN 0.691 nan 8.250 nan 0.000 0.424 271 L N 2.692 123.929 121.223 0.025 0.000 2.892 271 L HA 0.231 4.571 4.340 0.000 0.000 0.251 271 L C 0.068 176.950 176.870 0.020 0.000 1.339 271 L CA -0.563 54.292 54.840 0.025 0.000 0.900 271 L CB 0.812 42.891 42.059 0.033 0.000 1.246 271 L HN 0.791 nan 8.230 nan 0.000 0.524 272 D N -0.164 120.245 120.400 0.015 0.000 2.221 272 D HA -0.186 4.454 4.640 0.000 0.000 0.204 272 D C 2.207 178.511 176.300 0.008 0.000 0.982 272 D CA 1.675 55.681 54.000 0.010 0.000 0.857 272 D CB 0.289 41.094 40.800 0.008 0.000 0.934 272 D HN 0.461 nan 8.370 nan 0.000 0.475 273 S N -0.278 115.431 115.700 0.014 0.000 2.461 273 S HA -0.046 4.425 4.470 0.000 0.000 0.228 273 S C 0.868 175.480 174.600 0.020 0.000 1.005 273 S CA -0.264 57.948 58.200 0.020 0.000 0.942 273 S CB -0.188 63.029 63.200 0.027 0.000 0.776 273 S HN 0.120 nan 8.310 nan 0.000 0.514 274 L N 3.168 124.401 121.223 0.017 0.000 2.456 274 L HA 0.343 4.683 4.340 0.000 0.000 0.277 274 L C 1.001 177.856 176.870 -0.025 0.000 1.124 274 L CA 0.032 54.883 54.840 0.018 0.000 0.880 274 L CB 0.234 42.311 42.059 0.030 0.000 1.192 274 L HN 0.067 nan 8.230 nan 0.000 0.463 275 R N 3.253 123.711 120.500 -0.070 0.000 2.373 275 R HA 0.298 4.638 4.340 0.000 0.000 0.221 275 R C -0.417 175.557 176.300 -0.544 0.000 0.893 275 R CA 0.173 56.099 56.100 -0.290 0.000 1.049 275 R CB 0.217 30.304 30.300 -0.354 0.000 1.119 275 R HN 0.628 nan 8.270 nan 0.000 0.535 276 H N -0.311 118.767 119.070 0.013 0.000 2.934 276 H HA 0.353 4.909 4.556 0.000 0.000 0.340 276 H C -1.044 174.286 175.328 0.003 0.000 1.008 276 H CA -0.581 55.462 56.048 -0.008 0.000 1.317 276 H CB 2.547 32.285 29.762 -0.039 0.000 1.670 276 H HN -0.287 nan 8.280 nan 0.000 0.516 277 V N 3.836 123.818 119.914 0.113 0.000 2.376 277 V HA 0.255 4.375 4.120 0.000 0.000 0.287 277 V C 0.045 176.193 176.094 0.089 0.000 1.015 277 V CA -0.394 61.983 62.300 0.129 0.000 0.834 277 V CB 1.700 33.617 31.823 0.157 0.000 1.001 277 V HN 0.773 nan 8.190 nan 0.000 0.428 278 T N 5.901 120.456 114.554 0.002 0.000 2.856 278 T HA 0.804 5.154 4.350 0.000 0.000 0.283 278 T C -0.680 174.042 174.700 0.037 0.000 1.008 278 T CA -0.267 61.641 62.100 -0.321 0.000 0.997 278 T CB 1.241 69.614 68.868 -0.824 0.000 0.992 278 T HN 0.446 nan 8.240 nan 0.000 0.454 279 F N -0.039 119.952 119.950 0.068 0.000 2.565 279 F HA 0.947 5.475 4.527 0.000 0.000 0.313 279 F C -0.282 175.726 175.800 0.347 0.000 1.091 279 F CA -1.383 56.768 58.000 0.251 0.000 0.915 279 F CB 1.358 40.437 39.000 0.131 0.000 1.208 279 F HN 0.799 nan 8.300 nan 0.000 0.453 280 A N 0.856 123.998 122.820 0.537 0.000 2.586 280 A HA 0.800 5.120 4.320 0.000 0.000 0.290 280 A C 0.277 177.973 177.584 0.185 0.000 1.086 280 A CA -0.309 51.937 52.037 0.348 0.000 0.665 280 A CB 1.014 20.255 19.000 0.401 0.000 1.279 280 A HN 2.182 nan 8.150 nan 0.000 0.423 281 G N -1.536 107.320 108.800 0.092 0.000 2.352 281 G HA2 0.510 4.470 3.960 0.000 0.000 0.204 281 G HA3 0.510 4.470 3.960 0.000 0.000 0.204 281 G C 0.426 175.357 174.900 0.051 0.000 1.004 281 G CA 1.060 46.178 45.100 0.030 0.000 0.648 281 G HN 2.672 nan 8.290 nan 0.000 0.491 282 A N -0.984 121.897 122.820 0.102 0.000 2.586 282 A HA 0.764 5.084 4.320 0.000 0.000 0.290 282 A C -0.150 177.520 177.584 0.143 0.000 1.086 282 A CA 0.543 52.646 52.037 0.109 0.000 0.665 282 A CB 0.181 19.241 19.000 0.100 0.000 1.279 282 A HN 1.003 nan 8.150 nan 0.000 0.423 283 T N 1.833 116.465 114.554 0.129 0.000 2.867 283 T HA 0.307 4.657 4.350 0.000 0.000 0.297 283 T C 0.463 175.226 174.700 0.105 0.000 0.989 283 T CA 0.599 62.776 62.100 0.127 0.000 1.159 283 T CB -0.317 68.608 68.868 0.095 0.000 0.928 283 T HN 0.695 nan 8.240 nan 0.000 0.538 284 M N 7.484 127.158 119.600 0.123 0.000 2.292 284 M HA 0.272 4.752 4.480 0.000 0.000 0.342 284 M C -2.483 173.825 176.300 0.013 0.000 1.538 284 M CA -2.551 52.776 55.300 0.045 0.000 1.163 284 M CB -0.046 32.592 32.600 0.064 0.000 1.823 284 M HN 0.168 nan 8.290 nan 0.000 0.462 285 P HA 0.071 nan 4.420 nan 0.000 0.268 285 P C -0.152 177.137 177.300 -0.018 0.000 1.205 285 P CA -0.044 63.053 63.100 -0.005 0.000 0.771 285 P CB 0.583 32.277 31.700 -0.010 0.000 0.858 286 D N 2.046 122.450 120.400 0.006 0.000 2.144 286 D HA -0.150 4.490 4.640 0.000 0.000 0.199 286 D C 1.862 178.166 176.300 0.007 0.000 0.984 286 D CA 1.615 55.623 54.000 0.014 0.000 0.834 286 D CB -0.417 40.399 40.800 0.028 0.000 0.955 286 D HN 0.368 nan 8.370 nan 0.000 0.465 287 A N 0.687 123.509 122.820 0.003 0.000 1.902 287 A HA -0.126 4.194 4.320 0.000 0.000 0.217 287 A C 2.543 180.121 177.584 -0.011 0.000 1.181 287 A CA 1.135 53.175 52.037 0.005 0.000 0.623 287 A CB -0.657 18.347 19.000 0.008 0.000 0.818 287 A HN 0.148 nan 8.150 nan 0.000 0.443 288 V N -0.286 119.602 119.914 -0.044 0.000 2.358 288 V HA -0.209 3.911 4.120 0.000 0.000 0.246 288 V C 2.468 178.484 176.094 -0.131 0.000 1.047 288 V CA 1.811 64.060 62.300 -0.086 0.000 1.035 288 V CB -0.822 30.928 31.823 -0.122 0.000 0.658 288 V HN 0.576 nan 8.190 nan 0.000 0.452 289 L N 0.522 121.656 121.223 -0.149 0.000 2.042 289 L HA -0.202 4.138 4.340 0.000 0.000 0.210 289 L C 2.423 179.263 176.870 -0.051 0.000 1.076 289 L CA 2.378 57.104 54.840 -0.189 0.000 0.749 289 L CB -0.731 41.273 42.059 -0.092 0.000 0.893 289 L HN 0.481 nan 8.230 nan 0.000 0.432 290 E N -1.107 119.113 120.200 0.034 0.000 2.058 290 E HA -0.265 4.085 4.350 0.000 0.000 0.194 290 E C 2.043 178.682 176.600 0.065 0.000 0.997 290 E CA 2.085 58.534 56.400 0.082 0.000 0.801 290 E CB -0.195 29.539 29.700 0.057 0.000 0.746 290 E HN 0.730 nan 8.360 nan 0.000 0.450 291 T N -1.556 113.034 114.554 0.060 0.000 2.788 291 T HA -0.117 4.233 4.350 0.000 0.000 0.268 291 T C 2.000 176.773 174.700 0.122 0.000 1.044 291 T CA 1.355 63.546 62.100 0.153 0.000 1.139 291 T CB -0.608 68.354 68.868 0.157 0.000 0.867 291 T HN 0.044 nan 8.240 nan 0.000 0.454 292 V N 1.504 121.419 119.914 0.001 0.000 2.295 292 V HA -0.177 3.943 4.120 0.000 0.000 0.246 292 V C 2.867 178.948 176.094 -0.021 0.000 1.049 292 V CA 1.869 64.140 62.300 -0.048 0.000 1.024 292 V CB -0.850 30.845 31.823 -0.214 0.000 0.648 292 V HN 0.588 nan 8.190 nan 0.000 0.447 293 H N 0.147 119.216 119.070 -0.002 0.000 2.387 293 H HA -0.119 4.438 4.556 0.000 0.000 0.299 293 H C 2.410 177.708 175.328 -0.049 0.000 1.090 293 H CA 1.767 57.813 56.048 -0.003 0.000 1.332 293 H CB 0.011 29.770 29.762 -0.004 0.000 1.386 293 H HN 0.554 nan 8.280 nan 0.000 0.516 294 Q N -0.951 118.852 119.800 0.004 0.000 2.354 294 Q HA -0.020 4.320 4.340 0.000 0.000 0.203 294 Q C 1.052 176.830 176.000 -0.370 0.000 0.933 294 Q CA 0.516 56.184 55.803 -0.226 0.000 0.901 294 Q CB 0.580 29.092 28.738 -0.378 0.000 1.007 294 Q HN 0.597 nan 8.270 nan 0.000 0.495 295 H N -1.433 117.668 119.070 0.051 0.000 2.986 295 H HA 0.311 4.868 4.556 0.000 0.000 0.267 295 H C -0.034 175.318 175.328 0.039 0.000 1.072 295 H CA 0.205 56.277 56.048 0.041 0.000 1.202 295 H CB 1.224 31.009 29.762 0.039 0.000 1.535 295 H HN 0.041 nan 8.280 nan 0.000 0.522 296 L N 2.886 124.183 121.223 0.122 0.000 2.362 296 L HA 0.390 4.730 4.340 0.000 0.000 0.271 296 L C -2.254 174.659 176.870 0.072 0.000 1.002 296 L CA -1.918 52.977 54.840 0.092 0.000 0.818 296 L CB 2.715 44.825 42.059 0.085 0.000 1.298 296 L HN -0.084 nan 8.230 nan 0.000 0.420 297 P HA 0.439 nan 4.420 nan 0.000 0.293 297 P C -0.112 177.208 177.300 0.034 0.000 1.304 297 P CA 0.006 63.130 63.100 0.041 0.000 0.767 297 P CB 1.000 32.716 31.700 0.026 0.000 1.247 298 G N -0.997 107.806 108.800 0.004 0.000 2.746 298 G HA2 -0.148 3.812 3.960 0.000 0.000 0.685 298 G HA3 -0.148 3.812 3.960 0.000 0.000 0.685 298 G C -0.741 174.158 174.900 -0.002 0.000 1.350 298 G CA -0.519 44.559 45.100 -0.036 0.000 0.837 298 G HN 0.778 nan 8.290 nan 0.000 0.564 299 E N 0.352 120.526 120.200 -0.043 0.000 2.344 299 E HA 0.340 4.690 4.350 0.000 0.000 0.270 299 E C 0.037 176.677 176.600 0.067 0.000 1.021 299 E CA -0.491 55.925 56.400 0.028 0.000 0.887 299 E CB 0.328 30.044 29.700 0.027 0.000 0.997 299 E HN 0.283 nan 8.360 nan 0.000 0.429 300 K N 3.365 123.829 120.400 0.107 0.000 2.227 300 K HA 0.344 4.664 4.320 0.000 0.000 0.280 300 K C -0.901 175.684 176.600 -0.024 0.000 1.041 300 K CA -0.675 55.683 56.287 0.117 0.000 0.905 300 K CB 1.633 34.242 32.500 0.183 0.000 1.068 300 K HN 0.243 nan 8.250 nan 0.000 0.470 301 V N 2.822 122.554 119.914 -0.304 0.000 2.577 301 V HA 0.212 4.333 4.120 0.000 0.000 0.303 301 V C -0.270 175.244 176.094 -0.966 0.000 1.042 301 V CA -1.107 60.956 62.300 -0.394 0.000 0.872 301 V CB 1.975 33.692 31.823 -0.176 0.000 0.998 301 V HN 0.633 nan 8.190 nan 0.000 0.423 302 N N 4.421 122.712 118.700 -0.682 0.000 2.444 302 N HA 0.420 5.160 4.740 0.000 0.000 0.271 302 N C -1.044 174.402 175.510 -0.107 0.000 1.069 302 N CA -0.364 52.374 53.050 -0.521 0.000 0.965 302 N CB 0.974 39.458 38.487 -0.005 0.000 1.092 302 N HN 0.480 nan 8.380 nan 0.000 0.476 303 I N 4.281 124.847 120.570 -0.007 0.000 2.411 303 I HA 0.131 4.301 4.170 0.000 0.000 0.284 303 I C -0.632 175.612 176.117 0.211 0.000 1.012 303 I CA -0.724 60.667 61.300 0.152 0.000 1.119 303 I CB 0.562 38.678 38.000 0.193 0.000 1.261 303 I HN 0.499 nan 8.210 nan 0.000 0.448 304 Y N 6.313 126.673 120.300 0.101 0.000 2.313 304 Y HA 0.686 5.236 4.550 0.000 0.000 0.332 304 Y C 0.325 176.239 175.900 0.023 0.000 1.071 304 Y CA 0.169 58.313 58.100 0.074 0.000 1.169 304 Y CB 1.327 39.827 38.460 0.065 0.000 1.192 304 Y HN 0.657 nan 8.280 nan 0.000 0.487 305 G N 2.564 110.946 108.800 -0.697 0.000 2.606 305 G HA2 0.533 4.493 3.960 0.000 0.000 0.300 305 G HA3 0.533 4.493 3.960 0.000 0.000 0.300 305 G C -1.470 173.097 174.900 -0.556 0.000 1.360 305 G CA -0.518 44.241 45.100 -0.568 0.000 0.783 305 G HN 0.838 nan 8.290 nan 0.000 0.484 306 T N -3.758 110.584 114.554 -0.352 0.000 2.883 306 T HA 0.558 4.908 4.350 0.000 0.000 0.301 306 T C 0.963 175.498 174.700 -0.276 0.000 1.158 306 T CA 0.327 62.271 62.100 -0.261 0.000 1.007 306 T CB 1.439 70.223 68.868 -0.139 0.000 1.186 306 T HN 0.395 nan 8.240 nan 0.000 0.499 307 T N 1.063 115.470 114.554 -0.246 0.000 2.720 307 T HA -0.092 4.259 4.350 0.000 0.000 0.268 307 T C 1.564 176.048 174.700 -0.360 0.000 1.037 307 T CA 2.019 63.970 62.100 -0.248 0.000 1.144 307 T CB -0.354 68.430 68.868 -0.141 0.000 0.864 307 T HN 0.772 nan 8.240 nan 0.000 0.444 308 E N 0.932 120.776 120.200 -0.594 0.000 2.152 308 E HA 0.154 4.504 4.350 0.000 0.000 0.192 308 E C 1.862 178.107 176.600 -0.592 0.000 0.983 308 E CA 1.042 56.850 56.400 -0.987 0.000 0.818 308 E CB -0.031 28.491 29.700 -1.964 0.000 0.758 308 E HN 0.494 nan 8.360 nan 0.000 0.467 309 A N -1.290 121.242 122.820 -0.480 0.000 2.600 309 A HA 0.485 4.806 4.320 0.000 0.000 0.252 309 A C 0.651 178.086 177.584 -0.248 0.000 1.200 309 A CA 0.149 52.025 52.037 -0.269 0.000 0.981 309 A CB 0.098 19.017 19.000 -0.136 0.000 1.207 309 A HN 0.110 nan 8.150 nan 0.000 0.577 310 M N -0.886 118.534 119.600 -0.300 0.000 7.319 310 M HA -0.270 4.210 4.480 0.000 0.000 0.254 310 M C -0.113 175.964 176.300 -0.371 0.000 0.480 310 M CA 1.703 56.789 55.300 -0.356 0.000 1.311 310 M CB -1.004 31.353 32.600 -0.404 0.000 0.421 310 M HN 0.580 nan 8.290 nan 0.000 0.651 311 N N 0.235 118.608 118.700 -0.544 0.000 2.470 311 N HA 0.450 5.190 4.740 0.000 0.000 0.268 311 N C -0.230 175.211 175.510 -0.116 0.000 1.136 311 N CA 0.967 53.744 53.050 -0.455 0.000 0.961 311 N CB 0.813 38.761 38.487 -0.898 0.000 1.067 311 N HN 0.481 nan 8.380 nan 0.000 0.468 312 S N 2.088 117.838 115.700 0.083 0.000 2.593 312 S HA 0.372 4.842 4.470 0.000 0.000 0.235 312 S C -0.254 174.503 174.600 0.260 0.000 1.059 312 S CA -0.190 58.141 58.200 0.218 0.000 0.953 312 S CB 0.356 63.752 63.200 0.327 0.000 0.897 312 S HN 0.474 nan 8.310 nan 0.000 0.507 313 L N 1.109 122.531 121.223 0.331 0.000 2.415 313 L HA 0.669 5.009 4.340 0.000 0.000 0.256 313 L C -1.218 175.876 176.870 0.374 0.000 1.010 313 L CA -1.241 53.772 54.840 0.287 0.000 0.826 313 L CB 1.989 44.110 42.059 0.102 0.000 1.405 313 L HN 0.293 nan 8.230 nan 0.000 0.410 314 Y N 0.982 121.341 120.300 0.099 0.000 2.689 314 Y HA 0.889 5.440 4.550 0.000 0.000 0.333 314 Y C -1.500 174.430 175.900 0.049 0.000 1.208 314 Y CA -1.933 56.210 58.100 0.071 0.000 1.055 314 Y CB 1.891 40.393 38.460 0.071 0.000 1.304 314 Y HN 0.570 nan 8.280 nan 0.000 0.455 315 M N 2.460 121.940 119.600 -0.201 0.000 2.284 315 M HA 0.497 4.977 4.480 0.000 0.000 0.281 315 M C -2.021 174.172 176.300 -0.179 0.000 1.083 315 M CA -0.692 54.427 55.300 -0.301 0.000 0.965 315 M CB 2.136 34.674 32.600 -0.103 0.000 1.717 315 M HN 0.769 nan 8.290 nan 0.000 0.479 316 R N 3.519 123.905 120.500 -0.190 0.000 2.410 316 R HA 0.433 4.774 4.340 0.000 0.000 0.288 316 R C -0.339 175.973 176.300 0.020 0.000 1.051 316 R CA -0.522 55.558 56.100 -0.035 0.000 1.021 316 R CB 0.694 30.998 30.300 0.006 0.000 1.032 316 R HN 0.735 nan 8.270 nan 0.000 0.481 317 Q N 0.105 119.960 119.800 0.093 0.000 2.431 317 Q HA -0.141 4.200 4.340 0.000 0.000 0.344 317 Q C -2.092 174.027 176.000 0.199 0.000 1.384 317 Q CA 0.474 56.391 55.803 0.189 0.000 0.984 317 Q CB -1.619 27.186 28.738 0.111 0.000 1.204 317 Q HN 0.525 nan 8.270 nan 0.000 0.392 318 P HA 0.009 nan 4.420 nan 0.000 0.268 318 P C 0.559 178.017 177.300 0.263 0.000 1.205 318 P CA 0.048 63.273 63.100 0.209 0.000 0.771 318 P CB 0.801 32.644 31.700 0.238 0.000 0.858 319 K N -0.228 120.256 120.400 0.140 0.000 2.308 319 K HA 0.125 4.446 4.320 0.000 0.000 0.197 319 K C 1.245 177.909 176.600 0.106 0.000 1.049 319 K CA 1.111 57.459 56.287 0.101 0.000 0.991 319 K CB -0.201 32.323 32.500 0.040 0.000 0.836 319 K HN 0.847 nan 8.250 nan 0.000 0.500 320 T N -3.715 110.900 114.554 0.101 0.000 2.916 320 T HA 0.562 4.912 4.350 0.000 0.000 0.292 320 T C 1.270 176.037 174.700 0.111 0.000 1.064 320 T CA -0.211 61.942 62.100 0.088 0.000 1.011 320 T CB 1.878 70.781 68.868 0.058 0.000 1.152 320 T HN 0.060 nan 8.240 nan 0.000 0.510 321 G N -0.002 108.856 108.800 0.097 0.000 2.623 321 G HA2 0.028 3.988 3.960 0.000 0.000 0.214 321 G HA3 0.028 3.988 3.960 0.000 0.000 0.214 321 G C 1.324 176.292 174.900 0.115 0.000 1.138 321 G CA 0.924 46.099 45.100 0.125 0.000 0.794 321 G HN 0.971 nan 8.290 nan 0.000 0.535 322 T N -2.085 112.513 114.554 0.073 0.000 3.054 322 T HA 0.170 4.520 4.350 0.000 0.000 0.259 322 T C 0.795 175.505 174.700 0.018 0.000 1.092 322 T CA 0.148 62.274 62.100 0.044 0.000 1.121 322 T CB 0.317 69.198 68.868 0.022 0.000 0.912 322 T HN 0.313 nan 8.240 nan 0.000 0.489 323 E N 0.674 120.891 120.200 0.029 0.000 2.134 323 E HA 0.589 4.939 4.350 0.000 0.000 0.278 323 E C -0.936 175.666 176.600 0.004 0.000 0.959 323 E CA -0.481 55.923 56.400 0.007 0.000 0.783 323 E CB 0.694 30.405 29.700 0.017 0.000 1.095 323 E HN 0.363 nan 8.360 nan 0.000 0.399 324 M N 2.092 121.678 119.600 -0.024 0.000 2.755 324 M HA 0.696 5.176 4.480 0.000 0.000 0.273 324 M C -1.532 174.759 176.300 -0.016 0.000 1.278 324 M CA -0.828 54.457 55.300 -0.025 0.000 0.819 324 M CB 2.436 35.044 32.600 0.014 0.000 1.694 324 M HN 0.546 nan 8.290 nan 0.000 0.460 325 A N 0.960 123.786 122.820 0.010 0.000 2.572 325 A HA 0.934 5.254 4.320 0.000 0.000 0.295 325 A C -2.943 174.766 177.584 0.208 0.000 1.072 325 A CA -1.473 50.618 52.037 0.091 0.000 0.691 325 A CB 1.471 20.511 19.000 0.067 0.000 1.291 325 A HN 0.407 nan 8.150 nan 0.000 0.404 326 P HA 0.319 nan 4.420 nan 0.000 0.268 326 P C 0.301 177.795 177.300 0.324 0.000 1.205 326 P CA 0.575 63.829 63.100 0.257 0.000 0.771 326 P CB 1.138 32.967 31.700 0.215 0.000 0.858 327 G N 1.995 110.967 108.800 0.287 0.000 2.971 327 G HA2 0.420 4.380 3.960 0.000 0.000 0.235 327 G HA3 0.420 4.380 3.960 0.000 0.000 0.235 327 G C -1.052 173.910 174.900 0.104 0.000 1.351 327 G CA -0.867 44.342 45.100 0.182 0.000 1.039 327 G HN 0.369 nan 8.290 nan 0.000 0.563 328 F N -0.442 119.435 119.950 -0.122 0.000 2.629 328 F HA 0.284 4.811 4.527 0.000 0.000 0.369 328 F C 0.960 176.645 175.800 -0.192 0.000 1.125 328 F CA 1.106 58.941 58.000 -0.274 0.000 1.330 328 F CB 0.031 38.722 39.000 -0.514 0.000 1.071 328 F HN 0.432 nan 8.300 nan 0.000 0.595 329 F N 0.141 119.818 119.950 -0.456 0.000 2.427 329 F HA -0.284 4.244 4.527 0.000 0.000 0.567 329 F C 0.813 176.512 175.800 -0.168 0.000 0.511 329 F CA 0.660 58.499 58.000 -0.267 0.000 1.311 329 F CB -1.920 37.059 39.000 -0.036 0.000 2.049 329 F HN 0.334 nan 8.300 nan 0.000 0.259 330 S N 0.567 116.297 115.700 0.049 0.000 2.525 330 S HA 0.558 5.028 4.470 0.000 0.000 0.290 330 S C -0.272 174.367 174.600 0.065 0.000 1.152 330 S CA -0.593 57.656 58.200 0.082 0.000 1.072 330 S CB 2.447 65.726 63.200 0.131 0.000 1.027 330 S HN 0.302 nan 8.310 nan 0.000 0.500 331 E N 1.745 122.000 120.200 0.091 0.000 2.275 331 E HA 0.585 4.935 4.350 0.000 0.000 0.270 331 E C -1.356 175.420 176.600 0.292 0.000 0.882 331 E CA -0.770 55.719 56.400 0.147 0.000 0.758 331 E CB 1.438 31.169 29.700 0.051 0.000 1.195 331 E HN 0.500 nan 8.360 nan 0.000 0.419 332 V N 1.014 121.148 119.914 0.366 0.000 3.102 332 V HA 0.808 4.929 4.120 0.000 0.000 0.312 332 V C -0.855 175.465 176.094 0.377 0.000 1.135 332 V CA -0.855 61.675 62.300 0.384 0.000 1.022 332 V CB 2.134 34.082 31.823 0.210 0.000 1.056 332 V HN 0.766 nan 8.190 nan 0.000 0.436 333 R N 1.448 122.064 120.500 0.193 0.000 2.680 333 R HA 0.695 5.035 4.340 0.000 0.000 0.269 333 R C -1.727 174.547 176.300 -0.043 0.000 1.026 333 R CA -0.771 55.375 56.100 0.076 0.000 0.889 333 R CB 2.572 32.701 30.300 -0.284 0.000 1.241 333 R HN 0.816 nan 8.270 nan 0.000 0.463 334 I N 3.026 123.602 120.570 0.010 0.000 2.382 334 I HA 0.343 4.513 4.170 0.000 0.000 0.286 334 I C -0.064 176.023 176.117 -0.051 0.000 1.002 334 I CA -0.929 60.312 61.300 -0.098 0.000 1.135 334 I CB 1.763 39.627 38.000 -0.227 0.000 1.288 334 I HN 0.295 nan 8.210 nan 0.000 0.448 335 V N 3.010 122.864 119.914 -0.100 0.000 2.919 335 V HA 0.571 4.692 4.120 0.000 0.000 0.316 335 V C 0.181 176.234 176.094 -0.069 0.000 1.077 335 V CA -1.178 61.066 62.300 -0.094 0.000 0.977 335 V CB 1.748 33.480 31.823 -0.152 0.000 1.039 335 V HN 0.832 nan 8.190 nan 0.000 0.441 336 R N 1.866 122.334 120.500 -0.052 0.000 2.504 336 R HA 0.160 4.500 4.340 0.000 0.000 0.291 336 R C -0.193 176.082 176.300 -0.042 0.000 0.974 336 R CA -0.020 56.056 56.100 -0.038 0.000 1.077 336 R CB -0.103 30.179 30.300 -0.030 0.000 0.926 336 R HN 0.776 nan 8.270 nan 0.000 0.407 337 I N 4.864 125.413 120.570 -0.036 0.000 2.662 337 I HA -0.079 4.091 4.170 0.000 0.000 0.285 337 I C 1.540 177.643 176.117 -0.024 0.000 1.161 337 I CA 1.639 62.920 61.300 -0.032 0.000 1.415 337 I CB 0.663 38.648 38.000 -0.026 0.000 1.385 337 I HN 1.073 nan 8.210 nan 0.000 0.552 338 G N 4.076 112.862 108.800 -0.024 0.000 2.199 338 G HA2 -0.194 3.767 3.960 0.000 0.000 0.254 338 G HA3 -0.194 3.767 3.960 0.000 0.000 0.254 338 G C 0.508 175.398 174.900 -0.018 0.000 0.982 338 G CA -0.097 44.993 45.100 -0.016 0.000 0.632 338 G HN 0.977 nan 8.290 nan 0.000 0.529 339 G N -0.130 108.653 108.800 -0.028 0.000 2.535 339 G HA2 0.713 4.674 3.960 0.000 0.000 0.303 339 G HA3 0.713 4.674 3.960 0.000 0.000 0.303 339 G C 0.770 175.647 174.900 -0.039 0.000 1.237 339 G CA 0.240 45.322 45.100 -0.030 0.000 0.986 339 G HN 1.183 nan 8.290 nan 0.000 0.494 340 G N -1.930 106.847 108.800 -0.038 0.000 2.634 340 G HA2 0.400 4.360 3.960 0.000 0.000 0.255 340 G HA3 0.400 4.360 3.960 0.000 0.000 0.255 340 G C 1.332 176.176 174.900 -0.095 0.000 1.205 340 G CA 0.318 45.392 45.100 -0.044 0.000 0.884 340 G HN 1.291 nan 8.290 nan 0.000 0.549 341 V N -2.024 117.818 119.914 -0.120 0.000 2.867 341 V HA -0.039 4.081 4.120 0.000 0.000 0.260 341 V C 1.194 177.089 176.094 -0.333 0.000 1.099 341 V CA 2.134 64.260 62.300 -0.290 0.000 1.122 341 V CB -0.277 31.350 31.823 -0.325 0.000 0.708 341 V HN 0.479 nan 8.190 nan 0.000 0.490 342 D N 0.248 120.550 120.400 -0.162 0.000 2.349 342 D HA 0.093 4.733 4.640 0.000 0.000 0.214 342 D C 0.805 177.052 176.300 -0.088 0.000 1.063 342 D CA 0.231 54.163 54.000 -0.113 0.000 0.847 342 D CB 0.128 40.906 40.800 -0.037 0.000 0.933 342 D HN 0.659 nan 8.370 nan 0.000 0.513 343 E N 1.814 121.960 120.200 -0.090 0.000 2.148 343 E HA 0.102 4.453 4.350 0.000 0.000 0.308 343 E C 0.515 177.079 176.600 -0.060 0.000 1.278 343 E CA -0.202 56.162 56.400 -0.060 0.000 1.368 343 E CB -0.194 29.477 29.700 -0.049 0.000 1.229 343 E HN 0.417 nan 8.360 nan 0.000 0.494 344 I N -0.970 119.569 120.570 -0.053 0.000 2.648 344 I HA 0.073 4.243 4.170 0.000 0.000 0.284 344 I C 0.738 176.861 176.117 0.010 0.000 1.153 344 I CA -0.938 60.349 61.300 -0.022 0.000 1.426 344 I CB 0.426 38.422 38.000 -0.007 0.000 1.381 344 I HN -0.095 nan 8.210 nan 0.000 0.571 345 V N 3.441 123.379 119.914 0.040 0.000 3.185 345 V HA 0.651 4.771 4.120 0.000 0.000 0.305 345 V C 0.798 176.931 176.094 0.065 0.000 1.090 345 V CA -0.247 62.081 62.300 0.047 0.000 1.107 345 V CB 0.563 32.417 31.823 0.052 0.000 1.061 345 V HN 1.060 nan 8.190 nan 0.000 0.480 346 A N 2.467 125.315 122.820 0.046 0.000 2.271 346 A HA 0.657 4.977 4.320 0.000 0.000 0.288 346 A C 1.474 179.092 177.584 0.058 0.000 1.094 346 A CA 0.337 52.396 52.037 0.036 0.000 0.828 346 A CB -0.685 18.326 19.000 0.018 0.000 1.091 346 A HN 2.313 nan 8.150 nan 0.000 0.493 347 N N -0.219 118.502 118.700 0.035 0.000 1.293 347 N HA -0.259 4.481 4.740 0.000 0.000 0.131 347 N C 1.558 177.123 175.510 0.092 0.000 0.217 347 N CA 3.213 56.287 53.050 0.039 0.000 1.156 347 N CB -1.436 37.065 38.487 0.022 0.000 1.264 347 N HN 2.120 nan 8.380 nan 0.000 0.796 348 G N -0.415 108.431 108.800 0.076 0.000 4.432 348 G HA2 0.436 4.396 3.960 0.000 0.000 0.294 348 G HA3 0.436 4.396 3.960 0.000 0.000 0.294 348 G C -0.238 174.697 174.900 0.057 0.000 1.141 348 G CA 0.679 45.830 45.100 0.085 0.000 0.895 348 G HN 0.950 nan 8.290 nan 0.000 0.548 349 E N 0.964 121.199 120.200 0.058 0.000 2.331 349 E HA 0.218 4.569 4.350 0.000 0.000 0.272 349 E C -0.297 176.314 176.600 0.017 0.000 1.036 349 E CA -0.328 56.092 56.400 0.032 0.000 0.864 349 E CB 0.953 30.670 29.700 0.030 0.000 1.035 349 E HN 0.316 nan 8.360 nan 0.000 0.408 350 E N 1.409 121.606 120.200 -0.005 0.000 2.354 350 E HA 0.425 4.776 4.350 0.000 0.000 0.269 350 E C -0.076 176.503 176.600 -0.036 0.000 1.036 350 E CA -0.165 56.217 56.400 -0.030 0.000 0.876 350 E CB 1.454 31.136 29.700 -0.030 0.000 1.009 350 E HN 0.613 nan 8.360 nan 0.000 0.416 351 G N 1.326 110.087 108.800 -0.064 0.000 2.706 351 G HA2 0.185 4.145 3.960 0.000 0.000 0.307 351 G HA3 0.185 4.145 3.960 0.000 0.000 0.307 351 G C -1.390 173.458 174.900 -0.086 0.000 1.307 351 G CA -0.695 44.367 45.100 -0.065 0.000 0.790 351 G HN 0.485 nan 8.290 nan 0.000 0.503 352 E N -0.100 120.050 120.200 -0.084 0.000 2.229 352 E HA 0.369 4.720 4.350 0.000 0.000 0.283 352 E C -0.626 175.904 176.600 -0.116 0.000 1.030 352 E CA -0.655 55.692 56.400 -0.089 0.000 0.836 352 E CB 1.253 30.907 29.700 -0.076 0.000 1.068 352 E HN 0.348 nan 8.360 nan 0.000 0.401 353 L N 7.009 128.157 121.223 -0.125 0.000 2.462 353 L HA 0.221 4.561 4.340 0.000 0.000 0.272 353 L C -0.507 176.328 176.870 -0.059 0.000 1.166 353 L CA 0.425 55.186 54.840 -0.132 0.000 0.880 353 L CB 0.232 42.188 42.059 -0.172 0.000 1.142 353 L HN 0.453 nan 8.230 nan 0.000 0.473 354 I N 4.256 124.805 120.570 -0.035 0.000 2.646 354 I HA 0.792 4.962 4.170 0.000 0.000 0.299 354 I C -0.784 175.510 176.117 0.295 0.000 1.036 354 I CA -0.993 60.347 61.300 0.066 0.000 1.074 354 I CB 2.141 40.118 38.000 -0.039 0.000 1.258 354 I HN 0.454 nan 8.210 nan 0.000 0.430 355 V N 2.235 122.424 119.914 0.459 0.000 2.735 355 V HA 0.904 5.024 4.120 0.000 0.000 0.310 355 V C 0.384 176.743 176.094 0.441 0.000 1.061 355 V CA -0.604 61.989 62.300 0.488 0.000 0.913 355 V CB 1.238 33.268 31.823 0.344 0.000 1.005 355 V HN 1.153 nan 8.190 nan 0.000 0.428 356 A N 3.388 126.259 122.820 0.084 0.000 2.511 356 A HA 0.657 4.977 4.320 0.000 0.000 0.242 356 A C 0.768 178.268 177.584 -0.140 0.000 1.069 356 A CA 0.330 52.107 52.037 -0.432 0.000 0.763 356 A CB 0.056 18.692 19.000 -0.607 0.000 1.001 356 A HN 2.303 nan 8.150 nan 0.000 0.498 357 A N 3.508 126.239 122.820 -0.148 0.000 2.506 357 A HA 0.561 4.881 4.320 0.000 0.000 0.320 357 A C 0.864 178.381 177.584 -0.112 0.000 1.424 357 A CA 0.182 52.191 52.037 -0.047 0.000 1.044 357 A CB -0.589 18.424 19.000 0.022 0.000 1.140 357 A HN 1.474 nan 8.150 nan 0.000 0.538 358 S N 1.243 116.884 115.700 -0.098 0.000 3.012 358 S HA 0.385 4.855 4.470 0.000 0.000 0.254 358 S C 0.596 175.143 174.600 -0.088 0.000 1.030 358 S CA -0.053 58.088 58.200 -0.098 0.000 1.053 358 S CB 0.023 63.169 63.200 -0.090 0.000 1.286 358 S HN 0.380 nan 8.310 nan 0.000 0.633 359 D N 2.069 122.419 120.400 -0.082 0.000 2.149 359 D HA -0.117 4.523 4.640 0.000 0.000 0.194 359 D C 2.194 178.412 176.300 -0.137 0.000 1.001 359 D CA 2.057 56.000 54.000 -0.094 0.000 0.849 359 D CB -0.641 40.108 40.800 -0.084 0.000 0.939 359 D HN 0.595 nan 8.370 nan 0.000 0.449 360 S N -0.303 115.288 115.700 -0.182 0.000 2.481 360 S HA 0.144 4.614 4.470 0.000 0.000 0.231 360 S C 1.035 175.531 174.600 -0.173 0.000 0.996 360 S CA 0.277 58.336 58.200 -0.235 0.000 0.942 360 S CB -0.071 62.955 63.200 -0.290 0.000 0.768 360 S HN 0.243 nan 8.310 nan 0.000 0.520 361 A N 2.031 124.788 122.820 -0.104 0.000 2.371 361 A HA 0.541 4.861 4.320 0.000 0.000 0.257 361 A C 0.245 177.847 177.584 0.029 0.000 1.089 361 A CA -0.893 51.128 52.037 -0.026 0.000 0.794 361 A CB -0.324 18.680 19.000 0.006 0.000 1.029 361 A HN 0.688 nan 8.150 nan 0.000 0.488 362 F N 1.230 121.048 119.950 -0.221 0.000 2.539 362 F HA 0.385 4.912 4.527 0.000 0.000 0.340 362 F C 0.994 176.691 175.800 -0.172 0.000 1.185 362 F CA -0.312 57.574 58.000 -0.191 0.000 1.333 362 F CB 0.597 39.444 39.000 -0.256 0.000 1.152 362 F HN 0.346 nan 8.300 nan 0.000 0.602 363 V N -0.597 119.060 119.914 -0.429 0.000 3.376 363 V HA 0.725 4.845 4.120 0.000 0.000 0.313 363 V C 0.423 176.130 176.094 -0.646 0.000 1.393 363 V CA 0.213 62.218 62.300 -0.491 0.000 1.125 363 V CB -0.829 30.860 31.823 -0.223 0.000 1.037 363 V HN 1.582 nan 8.190 nan 0.000 0.440 364 G N -0.639 107.529 108.800 -1.053 0.000 2.339 364 G HA2 0.189 4.149 3.960 0.000 0.000 0.381 364 G HA3 0.189 4.149 3.960 0.000 0.000 0.381 364 G C -1.529 173.211 174.900 -0.267 0.000 1.400 364 G CA -0.855 43.814 45.100 -0.719 0.000 1.002 364 G HN 0.174 nan 8.290 nan 0.000 0.633 365 Y N -0.328 120.069 120.300 0.163 0.000 2.320 365 Y HA 0.564 5.114 4.550 0.000 0.000 0.334 365 Y C 0.942 176.883 175.900 0.069 0.000 1.055 365 Y CA -0.826 57.375 58.100 0.169 0.000 1.143 365 Y CB 1.639 40.209 38.460 0.183 0.000 1.193 365 Y HN 0.597 nan 8.280 nan 0.000 0.477 366 L N 4.882 126.218 121.223 0.187 0.000 2.628 366 L HA -0.043 4.298 4.340 0.000 0.000 0.274 366 L C 0.352 177.288 176.870 0.110 0.000 1.209 366 L CA 0.610 55.511 54.840 0.103 0.000 0.930 366 L CB -0.803 41.294 42.059 0.063 0.000 1.183 366 L HN 0.887 nan 8.230 nan 0.000 0.492 367 N N 2.329 121.079 118.700 0.083 0.000 2.741 367 N HA -0.244 4.496 4.740 0.000 0.000 0.251 367 N C -0.645 174.915 175.510 0.083 0.000 1.112 367 N CA 0.938 54.030 53.050 0.070 0.000 0.750 367 N CB -0.849 37.673 38.487 0.059 0.000 1.119 367 N HN 0.761 nan 8.380 nan 0.000 0.561 368 Q N -1.182 118.690 119.800 0.120 0.000 3.064 368 Q HA 0.177 4.517 4.340 0.000 0.000 0.258 368 Q C -2.145 173.948 176.000 0.154 0.000 0.972 368 Q CA -1.526 54.355 55.803 0.130 0.000 0.761 368 Q CB 1.406 30.227 28.738 0.139 0.000 1.281 368 Q HN 0.141 nan 8.270 nan 0.000 0.455 369 P HA -0.191 nan 4.420 nan 0.000 0.219 369 P C 1.245 178.603 177.300 0.097 0.000 1.150 369 P CA 0.956 64.108 63.100 0.086 0.000 0.814 369 P CB 0.396 32.127 31.700 0.052 0.000 0.787 370 Q N -0.034 119.820 119.800 0.089 0.000 2.049 370 Q HA -0.121 4.219 4.340 0.000 0.000 0.198 370 Q C 1.988 178.058 176.000 0.116 0.000 0.971 370 Q CA 1.749 57.602 55.803 0.082 0.000 0.833 370 Q CB -0.566 28.206 28.738 0.056 0.000 0.896 370 Q HN 0.104 nan 8.270 nan 0.000 0.434 371 A N 0.167 123.071 122.820 0.140 0.000 1.933 371 A HA -0.138 4.182 4.320 0.000 0.000 0.218 371 A C 2.218 180.040 177.584 0.396 0.000 1.175 371 A CA 1.873 54.018 52.037 0.180 0.000 0.628 371 A CB -0.820 18.208 19.000 0.048 0.000 0.814 371 A HN 0.482 nan 8.150 nan 0.000 0.444 372 T N 0.383 115.197 114.554 0.433 0.000 2.708 372 T HA -0.024 4.327 4.350 0.000 0.000 0.266 372 T C 2.226 177.062 174.700 0.226 0.000 1.037 372 T CA 1.584 63.897 62.100 0.356 0.000 1.146 372 T CB -0.472 68.483 68.868 0.145 0.000 0.865 372 T HN 0.589 nan 8.240 nan 0.000 0.435 373 A N 1.477 124.390 122.820 0.155 0.000 2.019 373 A HA -0.131 4.189 4.320 0.000 0.000 0.219 373 A C 2.149 179.809 177.584 0.127 0.000 1.164 373 A CA 1.476 53.581 52.037 0.113 0.000 0.644 373 A CB -0.498 18.550 19.000 0.080 0.000 0.805 373 A HN 0.587 nan 8.150 nan 0.000 0.449 374 E N -0.743 119.548 120.200 0.150 0.000 2.208 374 E HA -0.104 4.246 4.350 0.000 0.000 0.193 374 E C 1.586 178.277 176.600 0.151 0.000 0.988 374 E CA 0.810 57.287 56.400 0.128 0.000 0.828 374 E CB 0.048 29.816 29.700 0.113 0.000 0.763 374 E HN 0.337 nan 8.360 nan 0.000 0.478 375 K N -0.144 120.410 120.400 0.256 0.000 2.313 375 K HA 0.194 4.514 4.320 0.000 0.000 0.197 375 K C 0.529 177.336 176.600 0.346 0.000 1.061 375 K CA 0.204 56.676 56.287 0.309 0.000 0.980 375 K CB 0.663 33.538 32.500 0.624 0.000 0.888 375 K HN 0.074 nan 8.250 nan 0.000 0.502 376 L N 2.884 124.293 121.223 0.310 0.000 2.301 376 L HA 0.272 4.612 4.340 0.000 0.000 0.278 376 L C -0.784 176.181 176.870 0.159 0.000 1.022 376 L CA -0.203 54.781 54.840 0.239 0.000 0.854 376 L CB 1.096 43.207 42.059 0.086 0.000 1.226 376 L HN -0.040 nan 8.230 nan 0.000 0.429 377 Q N 3.209 123.122 119.800 0.187 0.000 2.292 377 Q HA 0.222 4.562 4.340 0.000 0.000 0.270 377 Q C -0.904 175.232 176.000 0.227 0.000 1.024 377 Q CA -0.893 55.008 55.803 0.163 0.000 0.768 377 Q CB 2.353 31.170 28.738 0.132 0.000 1.250 377 Q HN 0.467 nan 8.270 nan 0.000 0.447 378 D N 1.782 122.283 120.400 0.168 0.000 2.701 378 D HA -0.218 4.422 4.640 0.000 0.000 0.235 378 D C 0.765 177.192 176.300 0.211 0.000 1.155 378 D CA 1.756 55.870 54.000 0.191 0.000 0.649 378 D CB -1.052 39.883 40.800 0.224 0.000 1.050 378 D HN 1.158 nan 8.370 nan 0.000 0.425 379 G N -1.833 107.017 108.800 0.083 0.000 2.159 379 G HA2 -0.293 3.668 3.960 0.000 0.000 0.256 379 G HA3 -0.293 3.668 3.960 0.000 0.000 0.256 379 G C -0.105 174.644 174.900 -0.251 0.000 0.977 379 G CA 0.298 45.333 45.100 -0.108 0.000 0.652 379 G HN 0.315 nan 8.290 nan 0.000 0.531 380 W N -0.857 120.489 121.300 0.076 0.000 2.761 380 W HA 0.703 5.363 4.660 0.000 0.000 0.340 380 W C -0.108 176.511 176.519 0.167 0.000 1.072 380 W CA -1.540 55.867 57.345 0.104 0.000 1.215 380 W CB 0.977 30.477 29.460 0.068 0.000 1.420 380 W HN 0.169 nan 8.180 nan 0.000 0.519 381 Y N 2.882 123.376 120.300 0.324 0.000 2.330 381 Y HA 0.528 5.078 4.550 0.000 0.000 0.336 381 Y C 0.010 176.054 175.900 0.240 0.000 1.036 381 Y CA -1.395 56.864 58.100 0.265 0.000 1.125 381 Y CB 0.819 39.414 38.460 0.226 0.000 1.194 381 Y HN 0.344 nan 8.280 nan 0.000 0.469 382 R N 4.216 124.332 120.500 -0.639 0.000 2.198 382 R HA 0.150 4.490 4.340 0.000 0.000 0.339 382 R C 1.014 176.827 176.300 -0.811 0.000 1.020 382 R CA 0.387 56.187 56.100 -0.500 0.000 0.864 382 R CB 0.752 30.923 30.300 -0.215 0.000 1.105 382 R HN 0.928 nan 8.270 nan 0.000 0.463 383 T N -1.436 112.862 114.554 -0.428 0.000 2.995 383 T HA -0.086 4.264 4.350 0.000 0.000 0.269 383 T C 0.965 175.641 174.700 -0.040 0.000 1.091 383 T CA 0.612 62.617 62.100 -0.159 0.000 1.128 383 T CB -0.027 68.929 68.868 0.146 0.000 0.891 383 T HN 0.562 nan 8.240 nan 0.000 0.492 384 S N 0.939 116.600 115.700 -0.065 0.000 3.380 384 S HA -0.121 4.349 4.470 0.000 0.000 0.300 384 S C -0.522 174.092 174.600 0.023 0.000 1.255 384 S CA 0.820 59.014 58.200 -0.010 0.000 0.963 384 S CB -1.673 61.538 63.200 0.018 0.000 1.106 384 S HN 0.756 nan 8.310 nan 0.000 0.629 385 D N 1.030 121.449 120.400 0.032 0.000 2.193 385 D HA 0.456 5.096 4.640 0.000 0.000 0.244 385 D C 0.177 176.462 176.300 -0.024 0.000 1.064 385 D CA -0.277 53.746 54.000 0.040 0.000 0.845 385 D CB 1.613 42.482 40.800 0.116 0.000 1.148 385 D HN 0.104 nan 8.370 nan 0.000 0.464 386 V N 1.604 121.501 119.914 -0.029 0.000 2.530 386 V HA 0.562 4.683 4.120 0.000 0.000 0.282 386 V C 0.480 176.517 176.094 -0.096 0.000 1.048 386 V CA -0.079 62.187 62.300 -0.057 0.000 0.997 386 V CB 0.940 32.741 31.823 -0.037 0.000 0.987 386 V HN 0.722 nan 8.190 nan 0.000 0.477 387 A N 4.529 127.265 122.820 -0.139 0.000 2.556 387 A HA 0.896 5.216 4.320 0.000 0.000 0.294 387 A C -1.207 176.250 177.584 -0.212 0.000 1.091 387 A CA -0.594 51.319 52.037 -0.207 0.000 0.704 387 A CB 2.247 21.058 19.000 -0.315 0.000 1.300 387 A HN 0.876 nan 8.150 nan 0.000 0.406 388 V N 0.083 119.862 119.914 -0.225 0.000 2.876 388 V HA 0.686 4.806 4.120 0.000 0.000 0.312 388 V C -1.711 174.256 176.094 -0.213 0.000 1.085 388 V CA -0.865 61.334 62.300 -0.169 0.000 0.945 388 V CB 1.844 33.635 31.823 -0.054 0.000 1.017 388 V HN 0.913 nan 8.190 nan 0.000 0.428 389 W N 3.759 125.042 121.300 -0.028 0.000 2.287 389 W HA 0.520 5.180 4.660 0.000 0.000 0.313 389 W C 0.911 177.420 176.519 -0.018 0.000 1.267 389 W CA -0.124 57.207 57.345 -0.023 0.000 1.201 389 W CB 1.309 30.757 29.460 -0.020 0.000 1.196 389 W HN 0.751 nan 8.180 nan 0.000 0.536 390 T N 0.425 115.133 114.554 0.255 0.000 2.874 390 T HA 0.251 4.601 4.350 0.000 0.000 0.281 390 T C -1.752 173.023 174.700 0.124 0.000 0.994 390 T CA -1.711 60.473 62.100 0.140 0.000 1.015 390 T CB 1.442 70.367 68.868 0.095 0.000 1.028 390 T HN 0.148 nan 8.240 nan 0.000 0.523 391 P HA -0.046 nan 4.420 nan 0.000 0.221 391 P C 0.914 178.236 177.300 0.037 0.000 1.145 391 P CA 0.872 63.998 63.100 0.044 0.000 0.795 391 P CB -0.015 31.703 31.700 0.030 0.000 0.775 392 E N -1.356 118.874 120.200 0.050 0.000 2.418 392 E HA 0.107 4.457 4.350 0.000 0.000 0.197 392 E C 1.540 178.173 176.600 0.054 0.000 1.026 392 E CA 0.935 57.361 56.400 0.043 0.000 0.862 392 E CB -0.841 28.886 29.700 0.044 0.000 0.799 392 E HN 0.205 nan 8.360 nan 0.000 0.518 393 G N 0.761 109.613 108.800 0.088 0.000 2.141 393 G HA2 -0.290 3.670 3.960 0.000 0.000 0.242 393 G HA3 -0.290 3.670 3.960 0.000 0.000 0.242 393 G C 0.511 175.572 174.900 0.268 0.000 0.982 393 G CA 0.527 45.685 45.100 0.097 0.000 0.662 393 G HN 0.415 nan 8.290 nan 0.000 0.527 394 T N -2.537 112.176 114.554 0.265 0.000 2.897 394 T HA 0.737 5.087 4.350 0.000 0.000 0.278 394 T C 0.097 174.924 174.700 0.212 0.000 0.981 394 T CA -0.422 61.824 62.100 0.243 0.000 0.973 394 T CB 2.629 71.556 68.868 0.098 0.000 1.092 394 T HN 0.748 nan 8.240 nan 0.000 0.543 395 V N 1.135 121.040 119.914 -0.015 0.000 2.394 395 V HA 0.507 4.628 4.120 0.000 0.000 0.282 395 V C 0.330 176.319 176.094 -0.175 0.000 1.031 395 V CA -0.879 61.258 62.300 -0.272 0.000 0.881 395 V CB 1.133 32.672 31.823 -0.473 0.000 0.982 395 V HN 0.840 nan 8.190 nan 0.000 0.451 396 R N 4.837 125.236 120.500 -0.169 0.000 2.229 396 R HA 0.479 4.819 4.340 0.000 0.000 0.332 396 R C -0.802 175.411 176.300 -0.145 0.000 0.989 396 R CA -0.679 55.354 56.100 -0.112 0.000 0.842 396 R CB 0.717 30.983 30.300 -0.058 0.000 1.119 396 R HN 0.544 nan 8.270 nan 0.000 0.456 397 I N 7.204 127.699 120.570 -0.126 0.000 2.396 397 I HA 0.013 4.184 4.170 0.000 0.000 0.289 397 I C 1.000 177.090 176.117 -0.045 0.000 1.056 397 I CA 0.221 61.455 61.300 -0.111 0.000 1.365 397 I CB 1.124 39.072 38.000 -0.087 0.000 1.407 397 I HN 0.803 nan 8.210 nan 0.000 0.509 398 L N 5.291 126.488 121.223 -0.043 0.000 2.537 398 L HA 0.417 4.757 4.340 0.000 0.000 0.224 398 L C 1.040 177.909 176.870 -0.001 0.000 1.065 398 L CA 0.184 55.012 54.840 -0.021 0.000 0.860 398 L CB 0.305 42.346 42.059 -0.031 0.000 1.086 398 L HN 0.836 nan 8.230 nan 0.000 0.482 399 G N -0.348 108.455 108.800 0.005 0.000 2.345 399 G HA2 0.137 4.097 3.960 0.000 0.000 0.285 399 G HA3 0.137 4.097 3.960 0.000 0.000 0.285 399 G C -1.549 173.363 174.900 0.021 0.000 1.297 399 G CA -0.904 44.207 45.100 0.018 0.000 0.875 399 G HN -0.212 nan 8.290 nan 0.000 0.506 400 R N -0.265 120.248 120.500 0.021 0.000 2.486 400 R HA 0.536 4.877 4.340 0.000 0.000 0.286 400 R C 1.370 177.677 176.300 0.012 0.000 0.999 400 R CA -0.525 55.590 56.100 0.025 0.000 0.993 400 R CB 1.482 31.799 30.300 0.029 0.000 1.084 400 R HN 0.314 nan 8.270 nan 0.000 0.487 401 V N 1.276 121.198 119.914 0.012 0.000 2.379 401 V HA -0.203 3.917 4.120 0.000 0.000 0.245 401 V C 0.965 177.070 176.094 0.018 0.000 1.044 401 V CA 1.875 64.179 62.300 0.007 0.000 1.036 401 V CB -0.594 31.228 31.823 -0.001 0.000 0.664 401 V HN 0.771 nan 8.190 nan 0.000 0.453 402 D N -0.614 119.806 120.400 0.034 0.000 2.453 402 D HA 0.049 4.689 4.640 0.000 0.000 0.282 402 D C 0.174 176.491 176.300 0.028 0.000 1.222 402 D CA -0.464 53.570 54.000 0.058 0.000 1.079 402 D CB 0.029 40.893 40.800 0.106 0.000 1.128 402 D HN 0.023 nan 8.370 nan 0.000 0.568 403 D N -1.197 119.210 120.400 0.013 0.000 2.388 403 D HA 0.078 4.718 4.640 0.000 0.000 0.221 403 D C 0.188 176.361 176.300 -0.210 0.000 1.133 403 D CA -0.289 53.639 54.000 -0.120 0.000 0.831 403 D CB -0.151 40.536 40.800 -0.188 0.000 0.962 403 D HN 0.192 nan 8.370 nan 0.000 0.502 404 M N 1.236 120.790 119.600 -0.077 0.000 2.252 404 M HA 0.092 4.572 4.480 0.000 0.000 0.348 404 M C -0.388 175.888 176.300 -0.040 0.000 1.334 404 M CA 0.367 55.645 55.300 -0.037 0.000 1.071 404 M CB 0.289 32.933 32.600 0.072 0.000 1.763 404 M HN -0.122 nan 8.290 nan 0.000 0.452 405 I N 6.223 126.766 120.570 -0.044 0.000 2.385 405 I HA 0.347 4.517 4.170 0.000 0.000 0.294 405 I C -0.637 175.498 176.117 0.030 0.000 0.988 405 I CA -0.395 60.897 61.300 -0.014 0.000 1.265 405 I CB 1.065 39.042 38.000 -0.038 0.000 1.388 405 I HN 0.572 nan 8.210 nan 0.000 0.480 406 I N 4.904 125.505 120.570 0.051 0.000 2.420 406 I HA 0.256 4.427 4.170 0.000 0.000 0.282 406 I C -0.251 175.933 176.117 0.111 0.000 1.019 406 I CA -0.151 61.196 61.300 0.079 0.000 1.130 406 I CB 1.578 39.622 38.000 0.075 0.000 1.262 406 I HN 0.443 nan 8.210 nan 0.000 0.454 407 S N 4.256 120.039 115.700 0.139 0.000 2.552 407 S HA 0.610 5.081 4.470 0.000 0.000 0.314 407 S C 0.730 175.501 174.600 0.284 0.000 1.099 407 S CA 0.209 58.529 58.200 0.200 0.000 1.070 407 S CB 1.302 64.557 63.200 0.092 0.000 0.998 407 S HN 1.057 nan 8.310 nan 0.000 0.474 408 G N 3.014 112.071 108.800 0.429 0.000 2.233 408 G HA2 -0.098 3.862 3.960 0.000 0.000 0.270 408 G HA3 -0.098 3.862 3.960 0.000 0.000 0.270 408 G C 1.226 176.227 174.900 0.169 0.000 1.011 408 G CA 0.694 46.020 45.100 0.376 0.000 0.762 408 G HN 2.230 nan 8.290 nan 0.000 0.511 409 G N -1.787 107.094 108.800 0.135 0.000 2.148 409 G HA2 -0.233 3.728 3.960 0.000 0.000 0.254 409 G HA3 -0.233 3.728 3.960 0.000 0.000 0.254 409 G C -0.002 174.920 174.900 0.036 0.000 0.981 409 G CA 0.783 45.926 45.100 0.072 0.000 0.670 409 G HN 0.912 nan 8.290 nan 0.000 0.528 410 E N 0.605 120.861 120.200 0.094 0.000 2.166 410 E HA 0.331 4.681 4.350 0.000 0.000 0.275 410 E C -0.306 176.369 176.600 0.124 0.000 0.941 410 E CA -0.836 55.632 56.400 0.112 0.000 0.784 410 E CB 0.842 30.697 29.700 0.259 0.000 1.115 410 E HN 0.252 nan 8.360 nan 0.000 0.399 411 N N 2.417 121.170 118.700 0.089 0.000 2.442 411 N HA 0.237 4.977 4.740 0.000 0.000 0.265 411 N C -0.494 175.086 175.510 0.117 0.000 1.138 411 N CA 0.209 53.313 53.050 0.091 0.000 0.956 411 N CB 0.459 38.990 38.487 0.073 0.000 1.067 411 N HN 0.323 nan 8.380 nan 0.000 0.474 412 I N 1.511 122.133 120.570 0.086 0.000 2.447 412 I HA 0.155 4.325 4.170 0.000 0.000 0.287 412 I C -0.224 175.922 176.117 0.049 0.000 1.023 412 I CA -0.773 60.561 61.300 0.056 0.000 1.083 412 I CB 1.618 39.617 38.000 -0.002 0.000 1.245 412 I HN 0.401 nan 8.210 nan 0.000 0.434 413 H N 7.748 126.815 119.070 -0.005 0.000 2.502 413 H HA 0.267 4.824 4.556 0.000 0.000 0.327 413 H C -1.986 173.331 175.328 -0.018 0.000 1.099 413 H CA -1.690 54.355 56.048 -0.006 0.000 1.323 413 H CB 2.347 32.107 29.762 -0.002 0.000 1.450 413 H HN 0.310 nan 8.280 nan 0.000 0.502 414 P HA -0.187 nan 4.420 nan 0.000 0.218 414 P C 1.566 178.890 177.300 0.041 0.000 1.148 414 P CA 1.772 64.800 63.100 -0.120 0.000 0.822 414 P CB 0.175 31.755 31.700 -0.199 0.000 0.784 415 S N -0.202 115.648 115.700 0.250 0.000 2.382 415 S HA -0.225 4.246 4.470 0.000 0.000 0.228 415 S C 1.824 176.486 174.600 0.103 0.000 1.027 415 S CA 1.175 59.493 58.200 0.196 0.000 0.991 415 S CB -1.249 62.083 63.200 0.220 0.000 0.823 415 S HN 0.244 nan 8.310 nan 0.000 0.469 416 E N 1.351 121.610 120.200 0.099 0.000 2.065 416 E HA -0.172 4.178 4.350 0.000 0.000 0.201 416 E C 2.012 178.622 176.600 0.016 0.000 1.016 416 E CA 1.845 58.265 56.400 0.034 0.000 0.818 416 E CB -0.525 29.180 29.700 0.008 0.000 0.749 416 E HN 0.625 nan 8.360 nan 0.000 0.453 417 I N 0.921 121.496 120.570 0.008 0.000 2.406 417 I HA -0.166 4.005 4.170 0.000 0.000 0.249 417 I C 2.169 178.309 176.117 0.038 0.000 1.122 417 I CA 0.954 62.258 61.300 0.005 0.000 1.431 417 I CB -0.129 37.854 38.000 -0.029 0.000 1.087 417 I HN 0.006 nan 8.210 nan 0.000 0.424 418 E N 0.734 120.956 120.200 0.036 0.000 2.077 418 E HA -0.198 4.152 4.350 0.000 0.000 0.193 418 E C 2.324 178.955 176.600 0.052 0.000 0.989 418 E CA 0.941 57.367 56.400 0.044 0.000 0.800 418 E CB -0.090 29.633 29.700 0.039 0.000 0.746 418 E HN 0.367 nan 8.360 nan 0.000 0.452 419 R N 0.358 120.889 120.500 0.052 0.000 2.083 419 R HA -0.148 4.192 4.340 0.000 0.000 0.237 419 R C 2.412 178.758 176.300 0.077 0.000 1.137 419 R CA 1.363 57.494 56.100 0.052 0.000 0.951 419 R CB -0.445 29.878 30.300 0.039 0.000 0.851 419 R HN 0.087 nan 8.270 nan 0.000 0.434 420 V N 1.374 121.343 119.914 0.092 0.000 2.244 420 V HA -0.206 3.914 4.120 0.000 0.000 0.244 420 V C 2.334 178.579 176.094 0.252 0.000 1.042 420 V CA 1.582 63.981 62.300 0.164 0.000 1.006 420 V CB -0.388 31.507 31.823 0.121 0.000 0.641 420 V HN 0.291 nan 8.190 nan 0.000 0.446 421 L N 0.496 121.823 121.223 0.174 0.000 2.265 421 L HA -0.078 4.262 4.340 0.000 0.000 0.215 421 L C 2.464 179.344 176.870 0.017 0.000 1.117 421 L CA 1.336 56.248 54.840 0.121 0.000 0.782 421 L CB -0.895 41.238 42.059 0.123 0.000 0.914 421 L HN 0.513 nan 8.230 nan 0.000 0.441 422 G N -0.808 108.015 108.800 0.039 0.000 2.498 422 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 422 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 422 G C 1.511 176.402 174.900 -0.016 0.000 1.119 422 G CA 1.204 46.309 45.100 0.008 0.000 0.766 422 G HN 0.472 nan 8.290 nan 0.000 0.552 423 T N -2.465 112.093 114.554 0.007 0.000 3.040 423 T HA 0.587 4.937 4.350 0.000 0.000 0.250 423 T C 1.172 175.734 174.700 -0.231 0.000 1.058 423 T CA 0.414 62.513 62.100 -0.002 0.000 0.988 423 T CB 0.350 69.307 68.868 0.149 0.000 0.993 423 T HN 0.330 nan 8.240 nan 0.000 0.519 424 A N 3.254 125.731 122.820 -0.573 0.000 2.520 424 A HA 0.506 4.826 4.320 0.000 0.000 0.245 424 A C -2.320 174.946 177.584 -0.531 0.000 1.072 424 A CA -1.203 50.136 52.037 -1.163 0.000 0.761 424 A CB -0.341 18.032 19.000 -1.046 0.000 1.004 424 A HN 0.272 nan 8.150 nan 0.000 0.499 425 P HA 0.251 nan 4.420 nan 0.000 0.265 425 P C 1.136 178.329 177.300 -0.179 0.000 1.193 425 P CA 1.736 64.709 63.100 -0.212 0.000 0.765 425 P CB 0.669 32.283 31.700 -0.144 0.000 0.823 426 G N 1.133 109.861 108.800 -0.120 0.000 2.241 426 G HA2 -0.225 3.736 3.960 0.000 0.000 0.244 426 G HA3 -0.225 3.736 3.960 0.000 0.000 0.244 426 G C 0.056 174.906 174.900 -0.083 0.000 0.998 426 G CA -0.085 44.960 45.100 -0.092 0.000 0.621 426 G HN 0.542 nan 8.290 nan 0.000 0.519 427 V N 1.504 121.355 119.914 -0.105 0.000 2.455 427 V HA 0.547 4.668 4.120 0.000 0.000 0.273 427 V C 1.389 177.453 176.094 -0.050 0.000 1.045 427 V CA 1.154 63.410 62.300 -0.075 0.000 0.976 427 V CB 1.288 33.057 31.823 -0.090 0.000 0.993 427 V HN 0.363 nan 8.190 nan 0.000 0.475 428 T N 3.803 118.339 114.554 -0.029 0.000 3.034 428 T HA 0.217 4.567 4.350 0.000 0.000 0.248 428 T C 0.479 175.174 174.700 -0.008 0.000 1.040 428 T CA 0.583 62.672 62.100 -0.018 0.000 1.107 428 T CB 0.176 69.035 68.868 -0.014 0.000 0.932 428 T HN 0.781 nan 8.240 nan 0.000 0.474 429 E N 0.028 120.227 120.200 -0.002 0.000 2.356 429 E HA 0.614 4.964 4.350 0.000 0.000 0.275 429 E C -1.938 174.671 176.600 0.016 0.000 0.904 429 E CA -0.748 55.656 56.400 0.007 0.000 0.757 429 E CB 3.121 32.826 29.700 0.009 0.000 1.232 429 E HN 0.033 nan 8.360 nan 0.000 0.442 430 V N 2.104 122.031 119.914 0.021 0.000 2.777 430 V HA 0.515 4.636 4.120 0.000 0.000 0.306 430 V C -1.774 174.336 176.094 0.026 0.000 1.112 430 V CA -0.471 61.849 62.300 0.033 0.000 0.917 430 V CB 1.941 33.790 31.823 0.043 0.000 1.018 430 V HN 0.453 nan 8.190 nan 0.000 0.426 431 V N 6.624 126.552 119.914 0.024 0.000 2.638 431 V HA 0.586 4.706 4.120 0.000 0.000 0.306 431 V C -0.477 175.617 176.094 -0.000 0.000 1.052 431 V CA -0.568 61.736 62.300 0.008 0.000 0.885 431 V CB 2.173 33.996 31.823 0.001 0.000 0.999 431 V HN 0.710 nan 8.190 nan 0.000 0.424 432 V N 6.400 126.302 119.914 -0.019 0.000 2.435 432 V HA 0.618 4.738 4.120 0.000 0.000 0.290 432 V C -0.119 175.940 176.094 -0.057 0.000 1.030 432 V CA -0.350 61.926 62.300 -0.040 0.000 0.881 432 V CB 1.582 33.375 31.823 -0.050 0.000 0.983 432 V HN 0.793 nan 8.190 nan 0.000 0.445 433 I N 1.450 121.989 120.570 -0.052 0.000 3.145 433 I HA 0.970 5.140 4.170 0.000 0.000 0.313 433 I C 0.136 176.227 176.117 -0.044 0.000 1.122 433 I CA -0.988 60.281 61.300 -0.052 0.000 0.987 433 I CB 2.506 40.480 38.000 -0.043 0.000 1.236 433 I HN 0.620 nan 8.210 nan 0.000 0.453 434 G N 3.634 112.413 108.800 -0.035 0.000 2.368 434 G HA2 0.624 4.584 3.960 0.000 0.000 0.320 434 G HA3 0.624 4.584 3.960 0.000 0.000 0.320 434 G C -0.858 174.046 174.900 0.006 0.000 1.158 434 G CA -0.647 44.446 45.100 -0.012 0.000 0.912 434 G HN 0.527 nan 8.290 nan 0.000 0.456 435 L N 2.004 123.243 121.223 0.027 0.000 2.322 435 L HA 0.554 4.894 4.340 0.000 0.000 0.279 435 L C 1.015 177.920 176.870 0.058 0.000 1.036 435 L CA -1.027 53.837 54.840 0.041 0.000 0.807 435 L CB 1.824 43.923 42.059 0.066 0.000 1.226 435 L HN 0.611 nan 8.230 nan 0.000 0.433 436 A N 2.424 125.274 122.820 0.050 0.000 2.546 436 A HA 0.108 4.429 4.320 0.000 0.000 0.243 436 A C -0.229 177.401 177.584 0.076 0.000 1.063 436 A CA 0.350 52.421 52.037 0.058 0.000 0.757 436 A CB -0.094 18.932 19.000 0.042 0.000 0.991 436 A HN 0.800 nan 8.150 nan 0.000 0.503 437 D N 1.806 122.262 120.400 0.092 0.000 2.936 437 D HA 0.159 4.799 4.640 0.000 0.000 0.238 437 D C 0.644 176.989 176.300 0.075 0.000 1.248 437 D CA -0.406 53.661 54.000 0.112 0.000 0.903 437 D CB 1.480 42.400 40.800 0.199 0.000 1.544 437 D HN 0.693 nan 8.370 nan 0.000 0.543 438 Q N 2.897 122.719 119.800 0.036 0.000 2.096 438 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 438 Q C 1.581 177.544 176.000 -0.061 0.000 0.982 438 Q CA 1.551 57.350 55.803 -0.007 0.000 0.850 438 Q CB 0.295 29.025 28.738 -0.013 0.000 0.901 438 Q HN 0.294 nan 8.270 nan 0.000 0.422 439 R N -0.589 119.842 120.500 -0.116 0.000 2.055 439 R HA -0.074 4.266 4.340 0.000 0.000 0.226 439 R C 1.348 177.409 176.300 -0.398 0.000 1.135 439 R CA 1.879 57.779 56.100 -0.334 0.000 0.959 439 R CB -0.578 29.408 30.300 -0.524 0.000 0.854 439 R HN 0.389 nan 8.270 nan 0.000 0.431 440 W N -0.717 120.589 121.300 0.010 0.000 3.003 440 W HA 0.302 4.963 4.660 0.000 0.000 0.257 440 W C 1.408 177.937 176.519 0.017 0.000 1.308 440 W CA 0.479 57.832 57.345 0.013 0.000 1.529 440 W CB 0.411 29.885 29.460 0.024 0.000 1.115 440 W HN 0.463 nan 8.180 nan 0.000 0.659 441 G N 0.363 109.268 108.800 0.175 0.000 5.045 441 G HA2 -0.292 3.668 3.960 0.000 0.000 0.229 441 G HA3 -0.292 3.668 3.960 0.000 0.000 0.229 441 G C 0.270 175.247 174.900 0.129 0.000 1.440 441 G CA 0.232 45.407 45.100 0.124 0.000 0.936 441 G HN 0.252 nan 8.290 nan 0.000 0.690 442 Q N 0.399 120.289 119.800 0.150 0.000 2.353 442 Q HA 0.615 4.956 4.340 0.000 0.000 0.268 442 Q C -0.879 175.195 176.000 0.123 0.000 1.045 442 Q CA -0.162 55.708 55.803 0.112 0.000 0.811 442 Q CB 2.219 30.998 28.738 0.068 0.000 1.305 442 Q HN 0.411 nan 8.270 nan 0.000 0.447 443 S N 1.860 117.615 115.700 0.092 0.000 2.429 443 S HA 0.317 4.787 4.470 0.000 0.000 0.302 443 S C -0.215 174.369 174.600 -0.026 0.000 1.115 443 S CA -0.590 57.632 58.200 0.038 0.000 1.095 443 S CB 0.606 63.856 63.200 0.083 0.000 0.987 443 S HN 0.422 nan 8.310 nan 0.000 0.474 444 V N 6.127 125.986 119.914 -0.092 0.000 2.493 444 V HA 0.197 4.317 4.120 0.000 0.000 0.292 444 V C 0.486 176.497 176.094 -0.137 0.000 1.016 444 V CA 0.519 62.751 62.300 -0.114 0.000 1.097 444 V CB 0.513 32.245 31.823 -0.152 0.000 0.947 444 V HN 0.960 nan 8.190 nan 0.000 0.479 445 T N 4.665 119.154 114.554 -0.108 0.000 2.879 445 T HA 0.658 5.008 4.350 0.000 0.000 0.290 445 T C -0.187 174.453 174.700 -0.099 0.000 0.993 445 T CA -0.282 61.763 62.100 -0.092 0.000 0.975 445 T CB 1.644 70.543 68.868 0.053 0.000 0.981 445 T HN 0.880 nan 8.240 nan 0.000 0.439 446 A N 1.813 124.513 122.820 -0.201 0.000 2.276 446 A HA 0.624 4.944 4.320 0.000 0.000 0.316 446 A C -0.040 177.594 177.584 0.084 0.000 1.229 446 A CA -0.612 51.368 52.037 -0.095 0.000 0.851 446 A CB 0.198 19.096 19.000 -0.169 0.000 1.165 446 A HN 0.976 nan 8.150 nan 0.000 0.513 447 C N 3.352 122.713 119.300 0.100 0.000 2.251 447 C HA 0.606 5.066 4.460 0.000 0.000 0.323 447 C C 0.331 175.385 174.990 0.107 0.000 1.241 447 C CA -0.654 58.445 59.018 0.136 0.000 1.601 447 C CB -0.536 27.249 27.740 0.075 0.000 2.251 447 C HN 0.734 nan 8.230 nan 0.000 0.488 448 V N 2.368 122.360 119.914 0.131 0.000 2.604 448 V HA 0.827 4.947 4.120 0.000 0.000 0.305 448 V C -0.529 175.603 176.094 0.063 0.000 1.043 448 V CA -0.499 61.857 62.300 0.092 0.000 0.888 448 V CB 1.443 33.331 31.823 0.108 0.000 0.995 448 V HN 0.468 nan 8.190 nan 0.000 0.429 449 V N 5.539 125.474 119.914 0.035 0.000 2.370 449 V HA 0.482 4.602 4.120 0.000 0.000 0.283 449 V C -2.268 173.828 176.094 0.004 0.000 1.023 449 V CA -1.764 60.549 62.300 0.021 0.000 0.857 449 V CB 1.410 33.243 31.823 0.015 0.000 0.985 449 V HN 0.840 nan 8.190 nan 0.000 0.443 450 P HA 0.310 nan 4.420 nan 0.000 0.277 450 P C -0.228 177.062 177.300 -0.016 0.000 1.240 450 P CA -0.658 62.432 63.100 -0.017 0.000 0.798 450 P CB 0.574 32.263 31.700 -0.018 0.000 0.979 451 R N 1.051 121.536 120.500 -0.024 0.000 2.638 451 R HA 0.009 4.350 4.340 0.000 0.000 0.268 451 R C 0.242 176.533 176.300 -0.016 0.000 1.006 451 R CA -0.460 55.628 56.100 -0.021 0.000 1.088 451 R CB -0.312 29.972 30.300 -0.026 0.000 0.950 451 R HN 0.415 nan 8.270 nan 0.000 0.419 452 L N 2.437 123.653 121.223 -0.011 0.000 2.601 452 L HA 0.002 4.342 4.340 0.000 0.000 0.277 452 L C 1.280 178.144 176.870 -0.010 0.000 1.219 452 L CA 2.058 56.893 54.840 -0.008 0.000 0.915 452 L CB 0.347 42.402 42.059 -0.006 0.000 1.160 452 L HN 0.943 nan 8.230 nan 0.000 0.494 453 G N 2.596 111.391 108.800 -0.009 0.000 2.179 453 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 453 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 453 G C 0.299 175.192 174.900 -0.012 0.000 0.977 453 G CA 0.418 45.513 45.100 -0.009 0.000 0.641 453 G HN 0.620 nan 8.290 nan 0.000 0.533 454 E N -0.028 120.163 120.200 -0.016 0.000 2.264 454 E HA 0.667 5.018 4.350 0.000 0.000 0.260 454 E C 0.374 176.961 176.600 -0.022 0.000 0.961 454 E CA -0.161 56.226 56.400 -0.021 0.000 0.834 454 E CB 1.476 31.160 29.700 -0.027 0.000 1.230 454 E HN 0.353 nan 8.360 nan 0.000 0.412 455 T N -1.399 113.139 114.554 -0.028 0.000 2.940 455 T HA 0.721 5.071 4.350 0.000 0.000 0.288 455 T C -0.384 174.289 174.700 -0.045 0.000 1.045 455 T CA -0.834 61.248 62.100 -0.030 0.000 1.018 455 T CB 0.740 69.591 68.868 -0.028 0.000 1.151 455 T HN 0.262 nan 8.240 nan 0.000 0.529 456 L N 0.985 122.177 121.223 -0.051 0.000 2.333 456 L HA 0.763 5.104 4.340 0.000 0.000 0.263 456 L C -0.229 176.585 176.870 -0.094 0.000 1.014 456 L CA -1.115 53.677 54.840 -0.079 0.000 0.820 456 L CB 2.418 44.429 42.059 -0.080 0.000 1.352 456 L HN 0.897 nan 8.230 nan 0.000 0.421 457 S N -0.015 115.603 115.700 -0.137 0.000 2.532 457 S HA 0.588 5.059 4.470 0.000 0.000 0.299 457 S C 0.541 174.982 174.600 -0.266 0.000 1.105 457 S CA 0.024 58.134 58.200 -0.150 0.000 1.018 457 S CB 1.905 65.038 63.200 -0.112 0.000 1.021 457 S HN 0.733 nan 8.310 nan 0.000 0.483 458 A N 3.695 126.344 122.820 -0.285 0.000 1.940 458 A HA -0.060 4.260 4.320 0.000 0.000 0.219 458 A C 1.684 179.034 177.584 -0.391 0.000 1.176 458 A CA 1.970 53.710 52.037 -0.495 0.000 0.631 458 A CB -0.857 18.027 19.000 -0.193 0.000 0.814 458 A HN 0.870 nan 8.150 nan 0.000 0.446 459 D N 0.071 120.357 120.400 -0.190 0.000 2.117 459 D HA -0.074 4.567 4.640 0.000 0.000 0.197 459 D C 2.231 178.466 176.300 -0.108 0.000 0.987 459 D CA 1.618 55.552 54.000 -0.111 0.000 0.829 459 D CB -0.422 40.339 40.800 -0.065 0.000 0.961 459 D HN 0.439 nan 8.370 nan 0.000 0.460 460 A N 0.526 123.269 122.820 -0.128 0.000 1.897 460 A HA -0.067 4.253 4.320 0.000 0.000 0.215 460 A C 2.417 179.951 177.584 -0.083 0.000 1.181 460 A CA 0.706 52.693 52.037 -0.085 0.000 0.620 460 A CB -0.703 18.244 19.000 -0.087 0.000 0.821 460 A HN 0.180 nan 8.150 nan 0.000 0.443 461 L N -0.557 120.533 121.223 -0.222 0.000 2.046 461 L HA -0.219 4.121 4.340 0.000 0.000 0.208 461 L C 2.410 179.263 176.870 -0.029 0.000 1.077 461 L CA 1.908 56.620 54.840 -0.213 0.000 0.747 461 L CB -0.633 41.094 42.059 -0.552 0.000 0.896 461 L HN 0.490 nan 8.230 nan 0.000 0.432 462 D N -0.556 119.784 120.400 -0.099 0.000 2.123 462 D HA -0.185 4.455 4.640 0.000 0.000 0.196 462 D C 1.976 178.321 176.300 0.074 0.000 0.992 462 D CA 1.723 55.774 54.000 0.086 0.000 0.833 462 D CB 0.169 41.016 40.800 0.079 0.000 0.954 462 D HN 0.133 nan 8.370 nan 0.000 0.455 463 T N -0.552 114.029 114.554 0.046 0.000 2.684 463 T HA -0.170 4.180 4.350 0.000 0.000 0.267 463 T C 1.585 176.333 174.700 0.081 0.000 1.036 463 T CA 1.131 63.261 62.100 0.050 0.000 1.148 463 T CB -0.623 68.269 68.868 0.040 0.000 0.863 463 T HN 0.216 nan 8.240 nan 0.000 0.436 464 F N 1.234 121.168 119.950 -0.027 0.000 2.102 464 F HA -0.164 4.363 4.527 0.000 0.000 0.298 464 F C 2.562 178.359 175.800 -0.005 0.000 1.105 464 F CA 0.718 58.708 58.000 -0.017 0.000 1.239 464 F CB -0.685 38.302 39.000 -0.022 0.000 0.991 464 F HN 0.169 nan 8.300 nan 0.000 0.474 465 C N 0.688 120.080 119.300 0.154 0.000 2.413 465 C HA -0.192 4.269 4.460 0.000 0.000 0.276 465 C C 2.801 177.761 174.990 -0.049 0.000 1.248 465 C CA 1.265 60.313 59.018 0.051 0.000 1.742 465 C CB -1.293 26.513 27.740 0.110 0.000 2.017 465 C HN 0.424 nan 8.230 nan 0.000 0.481 466 R N 1.123 121.608 120.500 -0.026 0.000 2.148 466 R HA -0.101 4.239 4.340 0.000 0.000 0.227 466 R C 2.176 178.429 176.300 -0.079 0.000 1.103 466 R CA 1.776 57.852 56.100 -0.041 0.000 0.983 466 R CB -0.330 29.963 30.300 -0.012 0.000 0.874 466 R HN 0.720 nan 8.270 nan 0.000 0.451 467 S N -0.188 115.434 115.700 -0.129 0.000 2.548 467 S HA 0.015 4.486 4.470 0.000 0.000 0.215 467 S C 1.007 175.468 174.600 -0.232 0.000 0.976 467 S CA -0.193 57.910 58.200 -0.160 0.000 0.908 467 S CB 0.146 63.249 63.200 -0.160 0.000 0.781 467 S HN 0.216 nan 8.310 nan 0.000 0.519 468 S N 2.093 117.620 115.700 -0.288 0.000 2.641 468 S HA 0.197 4.667 4.470 0.000 0.000 0.261 468 S C 1.159 175.663 174.600 -0.159 0.000 1.257 468 S CA -0.132 57.896 58.200 -0.287 0.000 0.983 468 S CB 0.517 63.531 63.200 -0.309 0.000 0.990 468 S HN 0.460 nan 8.310 nan 0.000 0.572 469 E N -0.070 120.054 120.200 -0.126 0.000 2.478 469 E HA -0.060 4.290 4.350 0.000 0.000 0.198 469 E C 0.516 177.069 176.600 -0.080 0.000 1.046 469 E CA -0.062 56.286 56.400 -0.086 0.000 0.870 469 E CB -0.480 29.180 29.700 -0.067 0.000 0.818 469 E HN 0.551 nan 8.360 nan 0.000 0.527 470 L N 2.258 123.426 121.223 -0.091 0.000 2.410 470 L HA 0.239 4.580 4.340 0.000 0.000 0.273 470 L C 0.025 176.820 176.870 -0.125 0.000 1.152 470 L CA 0.007 54.785 54.840 -0.104 0.000 0.855 470 L CB 0.738 42.740 42.059 -0.095 0.000 1.129 470 L HN 0.116 nan 8.230 nan 0.000 0.463 471 A N 3.967 126.688 122.820 -0.164 0.000 2.567 471 A HA 0.022 4.342 4.320 0.000 0.000 0.240 471 A C 1.041 178.496 177.584 -0.215 0.000 1.053 471 A CA 0.116 52.054 52.037 -0.166 0.000 0.755 471 A CB -0.155 18.715 19.000 -0.216 0.000 0.978 471 A HN 0.904 nan 8.150 nan 0.000 0.507 472 D N 1.833 122.196 120.400 -0.062 0.000 2.158 472 D HA -0.217 4.424 4.640 0.000 0.000 0.197 472 D C 1.474 177.744 176.300 -0.049 0.000 0.995 472 D CA 2.240 56.219 54.000 -0.036 0.000 0.846 472 D CB -0.369 40.447 40.800 0.026 0.000 0.941 472 D HN 0.822 nan 8.370 nan 0.000 0.456 473 F N 0.806 120.724 119.950 -0.053 0.000 2.333 473 F HA 0.024 4.551 4.527 0.000 0.000 0.300 473 F C 1.637 177.359 175.800 -0.131 0.000 1.083 473 F CA 0.730 58.673 58.000 -0.095 0.000 1.395 473 F CB -0.356 38.610 39.000 -0.056 0.000 1.056 473 F HN -0.184 nan 8.300 nan 0.000 0.529 474 K N 1.223 121.184 120.400 -0.732 0.000 2.400 474 K HA 0.030 4.350 4.320 0.000 0.000 0.194 474 K C 0.774 177.200 176.600 -0.290 0.000 1.033 474 K CA -0.013 55.931 56.287 -0.571 0.000 1.021 474 K CB -0.075 32.034 32.500 -0.652 0.000 0.808 474 K HN 0.405 nan 8.250 nan 0.000 0.505 475 R N 2.086 122.455 120.500 -0.217 0.000 2.694 475 R HA 0.132 4.472 4.340 0.000 0.000 0.268 475 R C -2.690 173.516 176.300 -0.158 0.000 1.061 475 R CA -1.625 54.397 56.100 -0.130 0.000 1.133 475 R CB -0.582 29.686 30.300 -0.053 0.000 1.020 475 R HN -0.275 nan 8.270 nan 0.000 0.475 476 P HA -0.036 nan 4.420 nan 0.000 0.262 476 P C -0.200 176.944 177.300 -0.260 0.000 1.182 476 P CA 0.065 62.962 63.100 -0.338 0.000 0.761 476 P CB 0.530 31.765 31.700 -0.775 0.000 0.795 477 K N 2.243 122.508 120.400 -0.225 0.000 2.296 477 K HA 0.013 4.333 4.320 0.000 0.000 0.200 477 K C 0.886 177.417 176.600 -0.115 0.000 1.048 477 K CA 0.922 57.124 56.287 -0.140 0.000 0.966 477 K CB 0.350 32.775 32.500 -0.124 0.000 0.754 477 K HN 0.444 nan 8.250 nan 0.000 0.466 478 R N -0.413 119.955 120.500 -0.221 0.000 2.626 478 R HA 0.275 4.616 4.340 0.000 0.000 0.274 478 R C -1.732 174.335 176.300 -0.388 0.000 1.031 478 R CA -0.538 55.437 56.100 -0.207 0.000 0.898 478 R CB 1.362 31.573 30.300 -0.149 0.000 1.222 478 R HN -0.162 nan 8.270 nan 0.000 0.455 479 Y N 2.382 122.554 120.300 -0.213 0.000 2.393 479 Y HA 0.474 5.024 4.550 0.000 0.000 0.341 479 Y C -0.736 174.961 175.900 -0.340 0.000 0.988 479 Y CA -0.580 57.427 58.100 -0.154 0.000 1.078 479 Y CB 1.733 40.136 38.460 -0.095 0.000 1.203 479 Y HN 0.379 nan 8.280 nan 0.000 0.453 480 F N 3.871 123.892 119.950 0.119 0.000 2.427 480 F HA 0.493 5.021 4.527 0.000 0.000 0.348 480 F C -0.374 175.471 175.800 0.075 0.000 1.125 480 F CA -0.765 57.280 58.000 0.075 0.000 0.989 480 F CB 0.870 39.890 39.000 0.033 0.000 1.165 480 F HN 0.244 nan 8.300 nan 0.000 0.442 481 I N 5.468 126.151 120.570 0.188 0.000 2.312 481 I HA 0.333 4.503 4.170 0.000 0.000 0.291 481 I C -0.531 175.655 176.117 0.115 0.000 1.031 481 I CA -0.082 61.290 61.300 0.119 0.000 1.293 481 I CB 0.542 38.575 38.000 0.055 0.000 1.403 481 I HN 0.401 nan 8.210 nan 0.000 0.484 482 L N 5.380 126.658 121.223 0.092 0.000 2.354 482 L HA 0.386 4.726 4.340 0.000 0.000 0.264 482 L C 0.865 177.759 176.870 0.040 0.000 1.008 482 L CA -0.756 54.125 54.840 0.069 0.000 0.819 482 L CB 2.010 44.107 42.059 0.064 0.000 1.339 482 L HN 0.586 nan 8.230 nan 0.000 0.420 483 D N 0.474 120.892 120.400 0.029 0.000 2.277 483 D HA -0.088 4.552 4.640 0.000 0.000 0.208 483 D C 0.110 176.418 176.300 0.013 0.000 0.962 483 D CA 0.710 54.720 54.000 0.018 0.000 0.865 483 D CB 0.621 41.430 40.800 0.014 0.000 0.939 483 D HN 0.704 nan 8.370 nan 0.000 0.510 484 Q N -0.934 118.874 119.800 0.013 0.000 2.633 484 Q HA 0.535 4.875 4.340 0.000 0.000 0.289 484 Q C -1.635 174.368 176.000 0.006 0.000 0.940 484 Q CA -1.008 54.800 55.803 0.008 0.000 0.785 484 Q CB 1.223 29.963 28.738 0.004 0.000 1.467 484 Q HN 0.028 nan 8.270 nan 0.000 0.401 485 L N 1.439 122.663 121.223 0.002 0.000 2.334 485 L HA 0.634 4.974 4.340 0.000 0.000 0.273 485 L C -2.212 174.653 176.870 -0.008 0.000 1.013 485 L CA -2.309 52.529 54.840 -0.004 0.000 0.816 485 L CB 1.888 43.947 42.059 -0.000 0.000 1.278 485 L HN 0.573 nan 8.230 nan 0.000 0.431 486 P HA 0.182 nan 4.420 nan 0.000 0.271 486 P C -1.324 175.969 177.300 -0.012 0.000 1.226 486 P CA -0.104 62.986 63.100 -0.016 0.000 0.765 486 P CB 0.743 32.429 31.700 -0.023 0.000 0.835 487 K N 2.181 122.576 120.400 -0.009 0.000 2.469 487 K HA 0.296 4.616 4.320 0.000 0.000 0.254 487 K C 0.315 176.912 176.600 -0.005 0.000 0.939 487 K CA -0.890 55.393 56.287 -0.006 0.000 0.812 487 K CB 1.562 34.060 32.500 -0.003 0.000 1.301 487 K HN 0.432 nan 8.250 nan 0.000 0.433 488 N N 0.195 118.893 118.700 -0.004 0.000 2.327 488 N HA 0.103 4.843 4.740 0.000 0.000 0.257 488 N C 0.351 175.860 175.510 -0.002 0.000 1.281 488 N CA -0.324 52.724 53.050 -0.003 0.000 0.942 488 N CB 0.282 38.767 38.487 -0.003 0.000 1.199 488 N HN 0.564 nan 8.380 nan 0.000 0.532 489 A N -1.638 121.181 122.820 -0.002 0.000 2.255 489 A HA 0.318 4.638 4.320 0.000 0.000 0.206 489 A C 1.482 179.065 177.584 -0.000 0.000 1.193 489 A CA 1.068 53.104 52.037 -0.001 0.000 0.794 489 A CB -1.392 17.607 19.000 -0.001 0.000 0.794 489 A HN 0.898 nan 8.150 nan 0.000 0.481 490 L N -2.303 118.920 121.223 0.000 0.000 3.014 490 L HA 0.393 4.733 4.340 0.000 0.000 0.263 490 L C 0.715 177.586 176.870 0.002 0.000 1.207 490 L CA 0.523 55.364 54.840 0.001 0.000 1.017 490 L CB -1.573 40.487 42.059 0.002 0.000 1.360 490 L HN 0.439 nan 8.230 nan 0.000 0.560 491 N N -1.071 117.630 118.700 0.001 0.000 2.741 491 N HA -0.157 4.583 4.740 0.000 0.000 0.251 491 N C 0.285 175.796 175.510 0.002 0.000 1.112 491 N CA 1.462 54.513 53.050 0.001 0.000 0.750 491 N CB -1.886 36.602 38.487 0.002 0.000 1.119 491 N HN 1.090 nan 8.380 nan 0.000 0.561 492 K N -0.155 120.246 120.400 0.002 0.000 2.174 492 K HA 0.668 4.988 4.320 0.000 0.000 0.275 492 K C 0.351 176.951 176.600 0.000 0.000 1.015 492 K CA -0.325 55.964 56.287 0.003 0.000 0.933 492 K CB 0.942 33.445 32.500 0.004 0.000 1.025 492 K HN 0.128 nan 8.250 nan 0.000 0.463 493 V N 3.346 123.260 119.914 0.000 0.000 2.521 493 V HA 0.131 4.251 4.120 0.000 0.000 0.286 493 V C 0.598 176.687 176.094 -0.008 0.000 1.034 493 V CA -0.335 61.963 62.300 -0.004 0.000 1.045 493 V CB 0.697 32.518 31.823 -0.004 0.000 0.974 493 V HN 0.723 nan 8.190 nan 0.000 0.480 494 L N 6.938 128.153 121.223 -0.012 0.000 2.404 494 L HA 0.286 4.627 4.340 0.000 0.000 0.277 494 L C 1.613 178.469 176.870 -0.022 0.000 1.184 494 L CA -0.011 54.820 54.840 -0.015 0.000 1.013 494 L CB -0.444 41.606 42.059 -0.016 0.000 1.318 494 L HN 0.627 nan 8.230 nan 0.000 0.435 495 R N 1.100 121.587 120.500 -0.021 0.000 2.081 495 R HA -0.121 4.219 4.340 0.000 0.000 0.235 495 R C 2.055 178.334 176.300 -0.034 0.000 1.131 495 R CA 1.420 57.503 56.100 -0.029 0.000 0.960 495 R CB -0.060 30.223 30.300 -0.030 0.000 0.856 495 R HN 0.481 nan 8.270 nan 0.000 0.436 496 R N 0.238 120.721 120.500 -0.028 0.000 2.073 496 R HA -0.123 4.218 4.340 0.000 0.000 0.229 496 R C 2.379 178.660 176.300 -0.033 0.000 1.120 496 R CA 1.327 57.410 56.100 -0.028 0.000 0.967 496 R CB -0.165 30.123 30.300 -0.021 0.000 0.862 496 R HN 0.264 nan 8.270 nan 0.000 0.436 497 Q N 0.589 120.371 119.800 -0.031 0.000 2.084 497 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 497 Q C 1.996 177.965 176.000 -0.051 0.000 0.978 497 Q CA 1.396 57.178 55.803 -0.036 0.000 0.844 497 Q CB -0.060 28.661 28.738 -0.029 0.000 0.898 497 Q HN 0.214 nan 8.270 nan 0.000 0.426 498 L N 0.090 121.280 121.223 -0.055 0.000 2.042 498 L HA -0.164 4.176 4.340 0.000 0.000 0.210 498 L C 2.160 178.967 176.870 -0.105 0.000 1.076 498 L CA 1.419 56.213 54.840 -0.078 0.000 0.749 498 L CB -0.642 41.377 42.059 -0.065 0.000 0.893 498 L HN 0.109 nan 8.230 nan 0.000 0.432 499 V N -0.327 119.538 119.914 -0.081 0.000 2.282 499 V HA -0.342 3.778 4.120 0.000 0.000 0.249 499 V C 2.672 178.713 176.094 -0.088 0.000 1.057 499 V CA 1.976 64.228 62.300 -0.080 0.000 1.032 499 V CB -0.715 31.079 31.823 -0.048 0.000 0.645 499 V HN 0.549 nan 8.190 nan 0.000 0.447 500 Q N -0.544 119.214 119.800 -0.070 0.000 2.167 500 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 500 Q C 2.178 178.128 176.000 -0.084 0.000 0.970 500 Q CA 1.548 57.314 55.803 -0.062 0.000 0.855 500 Q CB -0.421 28.292 28.738 -0.042 0.000 0.911 500 Q HN 0.772 nan 8.270 nan 0.000 0.438 501 Q N 0.594 120.331 119.800 -0.106 0.000 2.084 501 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 501 Q C 1.789 177.670 176.000 -0.198 0.000 0.978 501 Q CA 1.979 57.707 55.803 -0.125 0.000 0.844 501 Q CB 0.300 28.966 28.738 -0.119 0.000 0.898 501 Q HN 0.342 nan 8.270 nan 0.000 0.426 502 V N -1.522 118.207 119.914 -0.309 0.000 3.621 502 V HA 0.199 4.319 4.120 0.000 0.000 0.285 502 V C 0.869 176.740 176.094 -0.371 0.000 1.346 502 V CA 0.265 62.212 62.300 -0.587 0.000 1.104 502 V CB 0.117 31.227 31.823 -1.188 0.000 0.913 502 V HN 0.285 nan 8.190 nan 0.000 0.432 503 S N 0.000 115.596 115.700 -0.174 0.000 2.498 503 S HA 0.000 4.470 4.470 0.000 0.000 0.327 503 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 503 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517