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 1q3s_1_E DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.090 176.094 -0.006 0.000 1.182 10 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 10 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 11 I N 0.325 120.891 120.570 -0.008 0.000 2.900 11 I HA 0.507 4.677 4.170 -0.000 0.000 0.251 11 I C 0.190 176.302 176.117 -0.009 0.000 1.102 11 I CA 1.022 62.317 61.300 -0.008 0.000 1.457 11 I CB 1.054 39.049 38.000 -0.010 0.000 1.285 11 I HN 0.487 nan 8.210 nan 0.000 0.459 12 L N 2.052 123.269 121.223 -0.011 0.000 2.410 12 L HA 0.492 4.832 4.340 -0.000 0.000 0.270 12 L C -2.378 174.485 176.870 -0.011 0.000 0.983 12 L CA -1.638 53.195 54.840 -0.011 0.000 0.822 12 L CB 1.943 43.994 42.059 -0.014 0.000 1.285 12 L HN -0.040 nan 8.230 nan 0.000 0.409 13 P HA -0.029 nan 4.420 nan 0.000 0.263 13 P C -1.152 176.142 177.300 -0.010 0.000 1.168 13 P CA 0.027 63.123 63.100 -0.008 0.000 0.759 13 P CB 0.335 32.032 31.700 -0.005 0.000 0.782 14 E N 1.965 122.160 120.200 -0.009 0.000 2.392 14 E HA 0.388 4.738 4.350 -0.000 0.000 0.256 14 E C 1.172 177.767 176.600 -0.008 0.000 1.145 14 E CA -0.137 56.257 56.400 -0.011 0.000 0.929 14 E CB -0.378 29.317 29.700 -0.009 0.000 0.998 14 E HN 0.651 nan 8.360 nan 0.000 0.442 15 G N 0.762 109.557 108.800 -0.008 0.000 2.184 15 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 15 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 15 G C 0.100 175.000 174.900 -0.000 0.000 0.975 15 G CA 0.473 45.571 45.100 -0.002 0.000 0.642 15 G HN 0.722 nan 8.290 nan 0.000 0.536 16 T N 1.539 116.089 114.554 -0.007 0.000 2.770 16 T HA 0.580 4.930 4.350 -0.000 0.000 0.297 16 T C 0.153 174.841 174.700 -0.020 0.000 0.997 16 T CA -0.256 61.841 62.100 -0.006 0.000 0.949 16 T CB 1.465 70.328 68.868 -0.008 0.000 0.941 16 T HN 0.359 nan 8.240 nan 0.000 0.457 17 Q N 2.138 121.935 119.800 -0.005 0.000 2.212 17 Q HA 0.719 5.059 4.340 -0.000 0.000 0.238 17 Q C 0.034 175.995 176.000 -0.065 0.000 0.955 17 Q CA -0.660 55.110 55.803 -0.054 0.000 0.906 17 Q CB 1.327 30.082 28.738 0.028 0.000 1.215 17 Q HN 0.505 nan 8.270 nan 0.000 0.478 18 R N 0.406 120.746 120.500 -0.266 0.000 2.643 18 R HA 0.540 4.879 4.340 -0.000 0.000 0.269 18 R C -1.721 174.302 176.300 -0.462 0.000 1.037 18 R CA -0.479 55.521 56.100 -0.168 0.000 0.894 18 R CB 1.138 31.383 30.300 -0.092 0.000 1.238 18 R HN 0.659 nan 8.270 nan 0.000 0.459 19 Y N 0.812 121.115 120.300 0.005 0.000 2.553 19 Y HA 0.650 5.199 4.550 -0.000 0.000 0.347 19 Y C -0.610 175.291 175.900 0.002 0.000 1.019 19 Y CA -0.756 57.348 58.100 0.007 0.000 1.032 19 Y CB 2.553 41.024 38.460 0.018 0.000 1.284 19 Y HN 0.221 nan 8.280 nan 0.000 0.466 20 V N 0.406 120.405 119.914 0.142 0.000 3.114 20 V HA 0.796 4.916 4.120 -0.000 0.000 0.308 20 V C 0.511 176.640 176.094 0.057 0.000 1.168 20 V CA -0.569 61.776 62.300 0.075 0.000 1.015 20 V CB 1.323 33.165 31.823 0.032 0.000 1.050 20 V HN 1.112 nan 8.190 nan 0.000 0.433 21 G N 3.051 111.867 108.800 0.026 0.000 2.652 21 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.318 21 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.318 21 G C 1.147 176.051 174.900 0.006 0.000 1.295 21 G CA 1.945 47.046 45.100 0.001 0.000 0.999 21 G HN 1.363 nan 8.290 nan 0.000 0.548 22 R N 0.362 120.860 120.500 -0.003 0.000 2.133 22 R HA -0.185 4.155 4.340 -0.000 0.000 0.245 22 R C 2.017 178.328 176.300 0.018 0.000 1.137 22 R CA 2.955 59.053 56.100 -0.002 0.000 0.947 22 R CB -1.132 29.167 30.300 -0.001 0.000 0.865 22 R HN 0.557 nan 8.270 nan 0.000 0.437 23 D N 0.452 120.884 120.400 0.052 0.000 2.127 23 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 23 D C 2.000 178.350 176.300 0.083 0.000 1.000 23 D CA 2.553 56.617 54.000 0.107 0.000 0.839 23 D CB -0.276 40.641 40.800 0.194 0.000 0.955 23 D HN 0.520 nan 8.370 nan 0.000 0.446 24 A N 0.365 123.242 122.820 0.095 0.000 1.835 24 A HA -0.278 4.042 4.320 -0.000 0.000 0.215 24 A C 2.088 179.665 177.584 -0.012 0.000 1.199 24 A CA 1.914 53.979 52.037 0.046 0.000 0.615 24 A CB -0.910 18.134 19.000 0.073 0.000 0.838 24 A HN 0.256 nan 8.150 nan 0.000 0.444 25 Q N -1.080 118.717 119.800 -0.006 0.000 2.062 25 Q HA -0.309 4.031 4.340 -0.000 0.000 0.209 25 Q C 2.330 178.308 176.000 -0.037 0.000 0.996 25 Q CA 2.063 57.853 55.803 -0.021 0.000 0.859 25 Q CB -0.333 28.388 28.738 -0.028 0.000 0.920 25 Q HN 0.621 nan 8.270 nan 0.000 0.415 26 R N 1.040 121.519 120.500 -0.035 0.000 2.115 26 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 26 R C 2.116 178.368 176.300 -0.080 0.000 1.133 26 R CA 1.723 57.795 56.100 -0.046 0.000 0.935 26 R CB -0.575 29.709 30.300 -0.027 0.000 0.853 26 R HN 0.260 nan 8.270 nan 0.000 0.433 27 L N -0.097 121.060 121.223 -0.110 0.000 2.093 27 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 27 L C 2.104 178.845 176.870 -0.214 0.000 1.085 27 L CA 1.862 56.589 54.840 -0.189 0.000 0.755 27 L CB -0.718 41.168 42.059 -0.288 0.000 0.904 27 L HN 0.423 nan 8.230 nan 0.000 0.435 28 N N 0.434 119.077 118.700 -0.094 0.000 2.080 28 N HA -0.139 4.601 4.740 -0.000 0.000 0.189 28 N C 1.986 177.453 175.510 -0.072 0.000 1.036 28 N CA 0.985 54.024 53.050 -0.018 0.000 0.846 28 N CB -0.024 38.482 38.487 0.032 0.000 1.015 28 N HN 0.201 nan 8.380 nan 0.000 0.423 29 I N 0.846 121.379 120.570 -0.062 0.000 2.163 29 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 29 I C 2.318 178.386 176.117 -0.081 0.000 1.085 29 I CA 0.786 62.053 61.300 -0.054 0.000 1.347 29 I CB -0.238 37.736 38.000 -0.043 0.000 1.044 29 I HN 0.200 nan 8.210 nan 0.000 0.408 30 L N 1.327 122.483 121.223 -0.111 0.000 2.012 30 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 30 L C 2.579 179.352 176.870 -0.162 0.000 1.073 30 L CA 2.221 56.987 54.840 -0.124 0.000 0.748 30 L CB -0.813 41.166 42.059 -0.134 0.000 0.891 30 L HN 0.193 nan 8.230 nan 0.000 0.431 31 A N -0.579 122.082 122.820 -0.265 0.000 1.902 31 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 31 A C 2.444 179.945 177.584 -0.138 0.000 1.181 31 A CA 1.893 53.741 52.037 -0.315 0.000 0.623 31 A CB -1.168 17.399 19.000 -0.722 0.000 0.818 31 A HN 0.598 nan 8.150 nan 0.000 0.443 32 A N -0.145 122.622 122.820 -0.089 0.000 1.873 32 A HA -0.148 4.171 4.320 -0.000 0.000 0.215 32 A C 2.234 179.792 177.584 -0.043 0.000 1.186 32 A CA 1.445 53.459 52.037 -0.039 0.000 0.616 32 A CB -0.503 18.485 19.000 -0.020 0.000 0.823 32 A HN 0.541 nan 8.150 nan 0.000 0.442 33 R N -0.447 120.022 120.500 -0.052 0.000 2.096 33 R HA -0.148 4.191 4.340 -0.000 0.000 0.240 33 R C 2.023 178.295 176.300 -0.046 0.000 1.139 33 R CA 1.764 57.836 56.100 -0.046 0.000 0.952 33 R CB -0.691 29.581 30.300 -0.048 0.000 0.854 33 R HN 0.600 nan 8.270 nan 0.000 0.436 34 I N 0.551 121.086 120.570 -0.057 0.000 2.163 34 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 34 I C 2.411 178.505 176.117 -0.038 0.000 1.085 34 I CA 1.107 62.376 61.300 -0.051 0.000 1.347 34 I CB -0.335 37.627 38.000 -0.064 0.000 1.044 34 I HN 0.142 nan 8.210 nan 0.000 0.408 35 I N 1.029 121.578 120.570 -0.035 0.000 2.179 35 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 35 I C 2.804 178.908 176.117 -0.023 0.000 1.088 35 I CA 1.869 63.156 61.300 -0.023 0.000 1.357 35 I CB -1.234 36.758 38.000 -0.014 0.000 1.051 35 I HN 0.208 nan 8.210 nan 0.000 0.409 36 A N 0.424 123.228 122.820 -0.026 0.000 1.883 36 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 36 A C 2.086 179.653 177.584 -0.029 0.000 1.186 36 A CA 1.785 53.805 52.037 -0.028 0.000 0.624 36 A CB -0.776 18.205 19.000 -0.032 0.000 0.822 36 A HN 0.550 nan 8.150 nan 0.000 0.444 37 E N -0.738 119.444 120.200 -0.030 0.000 2.472 37 E HA -0.067 4.283 4.350 -0.000 0.000 0.200 37 E C 1.626 178.211 176.600 -0.025 0.000 1.046 37 E CA 1.056 57.438 56.400 -0.029 0.000 0.871 37 E CB -0.226 29.456 29.700 -0.030 0.000 0.806 37 E HN 0.633 nan 8.360 nan 0.000 0.533 38 T N 0.361 114.901 114.554 -0.023 0.000 2.894 38 T HA -0.086 4.264 4.350 -0.000 0.000 0.258 38 T C 2.164 176.852 174.700 -0.019 0.000 1.043 38 T CA 1.234 63.323 62.100 -0.020 0.000 1.141 38 T CB 0.053 68.911 68.868 -0.017 0.000 0.873 38 T HN 0.211 nan 8.240 nan 0.000 0.449 39 V N 1.781 121.683 119.914 -0.019 0.000 3.052 39 V HA 0.077 4.197 4.120 -0.000 0.000 0.254 39 V C 2.333 178.413 176.094 -0.022 0.000 1.100 39 V CA 0.912 63.200 62.300 -0.019 0.000 1.112 39 V CB -0.935 30.878 31.823 -0.018 0.000 0.738 39 V HN 0.438 nan 8.190 nan 0.000 0.469 40 R N 2.597 123.081 120.500 -0.026 0.000 2.249 40 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 40 R C 1.898 178.180 176.300 -0.030 0.000 1.121 40 R CA 1.838 57.920 56.100 -0.030 0.000 0.997 40 R CB -1.490 28.791 30.300 -0.032 0.000 0.867 40 R HN 0.641 nan 8.270 nan 0.000 0.465 41 T N -2.136 112.402 114.554 -0.027 0.000 3.194 41 T HA -0.001 4.349 4.350 -0.000 0.000 0.251 41 T C 1.377 176.061 174.700 -0.027 0.000 1.132 41 T CA 0.735 62.819 62.100 -0.027 0.000 1.028 41 T CB 0.144 68.998 68.868 -0.023 0.000 0.976 41 T HN 0.468 nan 8.240 nan 0.000 0.535 42 T N -1.208 113.331 114.554 -0.026 0.000 3.040 42 T HA 0.388 4.738 4.350 -0.000 0.000 0.266 42 T C 0.285 174.969 174.700 -0.027 0.000 1.005 42 T CA -0.617 61.469 62.100 -0.023 0.000 0.906 42 T CB -0.208 68.650 68.868 -0.017 0.000 1.082 42 T HN 0.256 nan 8.240 nan 0.000 0.531 43 L N 2.976 124.180 121.223 -0.032 0.000 2.453 43 L HA 0.552 4.892 4.340 -0.000 0.000 0.272 43 L C 0.918 177.760 176.870 -0.046 0.000 1.182 43 L CA 1.825 56.644 54.840 -0.035 0.000 0.858 43 L CB -0.389 41.647 42.059 -0.038 0.000 1.120 43 L HN 0.721 nan 8.230 nan 0.000 0.474 44 G N 4.175 112.949 108.800 -0.043 0.000 2.796 44 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.571 44 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.571 44 G C -2.146 172.716 174.900 -0.062 0.000 1.370 44 G CA -0.351 44.713 45.100 -0.060 0.000 0.856 44 G HN 0.521 nan 8.290 nan 0.000 0.538 45 P HA 0.050 nan 4.420 nan 0.000 0.223 45 P C 1.662 178.898 177.300 -0.108 0.000 1.151 45 P CA 1.261 64.314 63.100 -0.079 0.000 0.787 45 P CB 0.137 31.743 31.700 -0.157 0.000 0.788 46 K N -0.868 119.434 120.400 -0.164 0.000 2.356 46 K HA 0.173 4.493 4.320 -0.000 0.000 0.195 46 K C 1.369 177.928 176.600 -0.068 0.000 1.037 46 K CA 0.194 56.407 56.287 -0.123 0.000 1.014 46 K CB -0.696 31.709 32.500 -0.159 0.000 0.815 46 K HN 0.090 nan 8.250 nan 0.000 0.507 47 G N 1.995 110.758 108.800 -0.061 0.000 2.905 47 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.233 47 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.233 47 G C 0.173 175.057 174.900 -0.026 0.000 1.243 47 G CA 0.003 45.078 45.100 -0.041 0.000 0.856 47 G HN -0.014 nan 8.290 nan 0.000 0.594 48 M N 0.560 120.147 119.600 -0.022 0.000 2.598 48 M HA 0.308 4.788 4.480 -0.000 0.000 0.317 48 M C -0.563 175.730 176.300 -0.011 0.000 1.201 48 M CA -0.732 54.559 55.300 -0.015 0.000 0.971 48 M CB 1.836 34.426 32.600 -0.017 0.000 1.657 48 M HN 0.408 nan 8.290 nan 0.000 0.470 49 D N 1.578 121.974 120.400 -0.007 0.000 2.294 49 D HA 0.449 5.089 4.640 -0.000 0.000 0.250 49 D C -0.401 175.895 176.300 -0.006 0.000 1.058 49 D CA -0.189 53.809 54.000 -0.004 0.000 0.950 49 D CB 1.347 42.147 40.800 0.001 0.000 1.158 49 D HN 0.297 nan 8.370 nan 0.000 0.453 50 K N 0.481 120.879 120.400 -0.003 0.000 2.259 50 K HA 0.506 4.826 4.320 -0.000 0.000 0.249 50 K C -0.457 176.143 176.600 0.001 0.000 0.942 50 K CA -0.825 55.460 56.287 -0.003 0.000 0.816 50 K CB 2.556 35.054 32.500 -0.003 0.000 1.155 50 K HN 0.305 nan 8.250 nan 0.000 0.428 51 M N 4.005 123.604 119.600 -0.002 0.000 2.149 51 M HA 0.351 4.831 4.480 -0.000 0.000 0.342 51 M C -1.706 174.598 176.300 0.007 0.000 1.068 51 M CA -0.562 54.738 55.300 0.001 0.000 0.991 51 M CB 0.530 33.123 32.600 -0.012 0.000 1.596 51 M HN 0.465 nan 8.290 nan 0.000 0.439 52 L N 6.268 127.501 121.223 0.017 0.000 2.319 52 L HA 0.587 4.927 4.340 -0.000 0.000 0.281 52 L C -1.095 175.787 176.870 0.021 0.000 1.005 52 L CA -1.035 53.815 54.840 0.016 0.000 0.828 52 L CB 1.612 43.680 42.059 0.015 0.000 1.227 52 L HN 0.426 nan 8.230 nan 0.000 0.415 53 V N 2.502 122.425 119.914 0.015 0.000 2.334 53 V HA 0.176 4.296 4.120 -0.000 0.000 0.281 53 V C -0.020 176.081 176.094 0.012 0.000 1.016 53 V CA -0.753 61.557 62.300 0.016 0.000 0.832 53 V CB 1.355 33.185 31.823 0.012 0.000 0.999 53 V HN 0.769 nan 8.190 nan 0.000 0.439 54 D N 3.839 124.247 120.400 0.013 0.000 2.377 54 D HA 0.042 4.681 4.640 -0.000 0.000 0.245 54 D C 1.491 177.796 176.300 0.007 0.000 1.196 54 D CA 0.274 54.279 54.000 0.008 0.000 0.962 54 D CB 1.453 42.257 40.800 0.007 0.000 1.127 54 D HN 0.454 nan 8.370 nan 0.000 0.471 55 S N 0.676 116.380 115.700 0.005 0.000 2.420 55 S HA -0.203 4.266 4.470 -0.000 0.000 0.237 55 S C 1.723 176.326 174.600 0.005 0.000 1.023 55 S CA 0.785 58.988 58.200 0.005 0.000 0.991 55 S CB -0.606 62.596 63.200 0.004 0.000 0.792 55 S HN 0.571 nan 8.310 nan 0.000 0.488 56 L N 1.284 122.511 121.223 0.005 0.000 2.783 56 L HA 0.379 4.719 4.340 -0.000 0.000 0.236 56 L C 1.807 178.681 176.870 0.007 0.000 1.225 56 L CA 0.156 54.999 54.840 0.005 0.000 1.026 56 L CB -0.687 41.374 42.059 0.003 0.000 1.314 56 L HN 0.566 nan 8.230 nan 0.000 0.489 57 G N 0.107 108.912 108.800 0.009 0.000 2.220 57 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.269 57 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.269 57 G C 0.253 175.164 174.900 0.019 0.000 0.977 57 G CA 0.564 45.672 45.100 0.013 0.000 0.634 57 G HN 0.518 nan 8.290 nan 0.000 0.539 58 D N 0.527 120.937 120.400 0.017 0.000 2.488 58 D HA 0.369 5.009 4.640 -0.000 0.000 0.238 58 D C 0.454 176.777 176.300 0.037 0.000 1.138 58 D CA 0.139 54.152 54.000 0.022 0.000 0.873 58 D CB 0.218 41.024 40.800 0.010 0.000 1.183 58 D HN 0.280 nan 8.370 nan 0.000 0.458 59 I N 3.346 123.957 120.570 0.068 0.000 2.404 59 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 59 I C -0.651 175.566 176.117 0.168 0.000 0.992 59 I CA -0.878 60.490 61.300 0.112 0.000 1.149 59 I CB 1.970 40.055 38.000 0.142 0.000 1.315 59 I HN 0.091 nan 8.210 nan 0.000 0.446 60 V N 6.393 126.382 119.914 0.124 0.000 2.447 60 V HA 0.447 4.566 4.120 -0.000 0.000 0.292 60 V C -0.473 175.688 176.094 0.111 0.000 1.021 60 V CA -0.671 61.699 62.300 0.116 0.000 0.850 60 V CB 1.868 33.718 31.823 0.044 0.000 1.005 60 V HN 0.436 nan 8.190 nan 0.000 0.426 61 V N 4.073 124.091 119.914 0.173 0.000 2.347 61 V HA 0.776 4.896 4.120 -0.000 0.000 0.280 61 V C 0.168 176.306 176.094 0.073 0.000 1.021 61 V CA -0.001 62.350 62.300 0.085 0.000 0.847 61 V CB 1.480 33.321 31.823 0.030 0.000 0.990 61 V HN 0.967 nan 8.190 nan 0.000 0.444 62 T N 2.564 117.139 114.554 0.036 0.000 2.816 62 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 62 T C 0.214 174.920 174.700 0.009 0.000 1.230 62 T CA -0.349 61.764 62.100 0.022 0.000 1.007 62 T CB 2.117 70.992 68.868 0.012 0.000 1.289 62 T HN 0.587 nan 8.240 nan 0.000 0.508 63 N N 0.249 118.951 118.700 0.004 0.000 2.197 63 N HA 0.179 4.919 4.740 -0.000 0.000 0.201 63 N C -0.463 175.043 175.510 -0.006 0.000 1.148 63 N CA -0.151 52.899 53.050 -0.001 0.000 0.883 63 N CB 0.402 38.890 38.487 0.002 0.000 1.012 63 N HN 0.583 nan 8.380 nan 0.000 0.507 64 D N -0.133 120.262 120.400 -0.008 0.000 2.371 64 D HA -0.011 4.629 4.640 -0.000 0.000 0.256 64 D C 1.270 177.564 176.300 -0.011 0.000 1.193 64 D CA -0.130 53.862 54.000 -0.012 0.000 0.881 64 D CB 0.838 41.626 40.800 -0.019 0.000 1.143 64 D HN 0.239 nan 8.370 nan 0.000 0.473 65 C N 4.244 123.537 119.300 -0.012 0.000 2.436 65 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 65 C C 2.615 177.599 174.990 -0.010 0.000 1.241 65 C CA 1.430 60.441 59.018 -0.011 0.000 1.721 65 C CB -1.330 26.403 27.740 -0.012 0.000 2.043 65 C HN 0.784 nan 8.230 nan 0.000 0.472 66 A N -0.127 122.687 122.820 -0.011 0.000 1.917 66 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 66 A C 2.311 179.889 177.584 -0.010 0.000 1.182 66 A CA 2.861 54.892 52.037 -0.010 0.000 0.633 66 A CB -1.426 17.567 19.000 -0.011 0.000 0.819 66 A HN 0.682 nan 8.150 nan 0.000 0.448 67 T N 0.181 114.728 114.554 -0.012 0.000 2.737 67 T HA -0.068 4.281 4.350 -0.000 0.000 0.265 67 T C 1.825 176.521 174.700 -0.007 0.000 1.038 67 T CA 1.457 63.550 62.100 -0.012 0.000 1.144 67 T CB -0.396 68.463 68.868 -0.014 0.000 0.866 67 T HN 0.433 nan 8.240 nan 0.000 0.434 68 I N 0.882 121.449 120.570 -0.006 0.000 2.113 68 I HA -0.143 4.027 4.170 -0.000 0.000 0.238 68 I C 2.363 178.479 176.117 -0.003 0.000 1.070 68 I CA 1.291 62.589 61.300 -0.003 0.000 1.332 68 I CB -0.475 37.522 38.000 -0.005 0.000 1.044 68 I HN 0.176 nan 8.210 nan 0.000 0.402 69 L N 0.230 121.451 121.223 -0.004 0.000 2.189 69 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 69 L C 2.283 179.152 176.870 -0.001 0.000 1.097 69 L CA 1.425 56.264 54.840 -0.003 0.000 0.764 69 L CB -0.670 41.388 42.059 -0.003 0.000 0.900 69 L HN 0.469 nan 8.230 nan 0.000 0.436 70 D N -0.211 120.187 120.400 -0.002 0.000 2.149 70 D HA -0.137 4.503 4.640 -0.000 0.000 0.206 70 D C 2.062 178.361 176.300 -0.001 0.000 0.967 70 D CA 0.758 54.757 54.000 -0.002 0.000 0.848 70 D CB 0.361 41.158 40.800 -0.004 0.000 0.998 70 D HN 0.051 nan 8.370 nan 0.000 0.474 71 K N 0.661 121.060 120.400 -0.002 0.000 2.097 71 K HA 0.021 4.340 4.320 -0.000 0.000 0.205 71 K C 1.074 177.675 176.600 0.002 0.000 1.050 71 K CA 0.073 56.361 56.287 0.000 0.000 0.938 71 K CB -0.197 32.304 32.500 0.001 0.000 0.718 71 K HN 0.306 nan 8.250 nan 0.000 0.442 72 I N 2.397 122.968 120.570 0.002 0.000 2.648 72 I HA -0.113 4.057 4.170 -0.000 0.000 0.284 72 I C 0.405 176.524 176.117 0.004 0.000 1.153 72 I CA -0.105 61.196 61.300 0.003 0.000 1.426 72 I CB 0.434 38.435 38.000 0.002 0.000 1.381 72 I HN -0.018 nan 8.210 nan 0.000 0.571 73 D N 8.191 128.594 120.400 0.005 0.000 2.453 73 D HA 0.208 4.848 4.640 -0.000 0.000 0.223 73 D C -0.251 176.055 176.300 0.010 0.000 1.183 73 D CA -0.179 53.824 54.000 0.006 0.000 0.933 73 D CB 0.162 40.965 40.800 0.006 0.000 1.038 73 D HN 0.248 nan 8.370 nan 0.000 0.513 74 L N 2.877 124.107 121.223 0.012 0.000 2.426 74 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 74 L C 1.583 178.466 176.870 0.022 0.000 1.169 74 L CA -0.258 54.594 54.840 0.020 0.000 0.836 74 L CB 1.083 43.155 42.059 0.022 0.000 1.112 74 L HN 0.362 nan 8.230 nan 0.000 0.465 75 Q N 0.385 120.207 119.800 0.036 0.000 2.580 75 Q HA 0.046 4.386 4.340 -0.000 0.000 0.239 75 Q C 0.269 176.286 176.000 0.030 0.000 0.873 75 Q CA 0.192 56.013 55.803 0.029 0.000 0.951 75 Q CB 0.275 29.033 28.738 0.033 0.000 1.172 75 Q HN 0.615 nan 8.270 nan 0.000 0.616 76 H N 3.170 122.229 119.070 -0.018 0.000 2.848 76 H HA 0.010 4.566 4.556 -0.000 0.000 0.341 76 H C -1.671 173.641 175.328 -0.025 0.000 1.060 76 H CA -0.880 55.151 56.048 -0.028 0.000 1.444 76 H CB 1.240 30.977 29.762 -0.043 0.000 1.446 76 H HN -0.135 nan 8.280 nan 0.000 0.583 77 P HA -0.238 nan 4.420 nan 0.000 0.212 77 P C 1.005 178.292 177.300 -0.021 0.000 1.178 77 P CA 2.451 65.417 63.100 -0.223 0.000 0.915 77 P CB -0.095 31.423 31.700 -0.304 0.000 0.788 78 A N -0.563 122.333 122.820 0.127 0.000 2.076 78 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 78 A C 2.219 179.890 177.584 0.145 0.000 1.160 78 A CA 2.046 54.194 52.037 0.186 0.000 0.653 78 A CB -1.518 17.623 19.000 0.235 0.000 0.801 78 A HN 0.233 nan 8.150 nan 0.000 0.455 79 A N -0.802 122.132 122.820 0.190 0.000 2.021 79 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 79 A C 2.013 179.627 177.584 0.050 0.000 1.163 79 A CA 1.565 53.655 52.037 0.088 0.000 0.676 79 A CB -0.190 18.865 19.000 0.091 0.000 0.818 79 A HN 0.427 nan 8.150 nan 0.000 0.453 80 K N -0.755 119.671 120.400 0.043 0.000 2.228 80 K HA 0.155 4.474 4.320 -0.000 0.000 0.202 80 K C 1.772 178.382 176.600 0.016 0.000 1.051 80 K CA 0.969 57.267 56.287 0.020 0.000 0.960 80 K CB -0.208 32.296 32.500 0.006 0.000 0.743 80 K HN 0.462 nan 8.250 nan 0.000 0.458 81 M N -0.194 119.419 119.600 0.022 0.000 2.460 81 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 81 M C 1.340 177.650 176.300 0.017 0.000 1.071 81 M CA 0.948 56.259 55.300 0.018 0.000 1.096 81 M CB 0.073 32.686 32.600 0.023 0.000 1.408 81 M HN 0.106 nan 8.290 nan 0.000 0.463 82 M N -0.957 118.654 119.600 0.017 0.000 2.492 82 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 82 M C 1.901 178.205 176.300 0.005 0.000 1.090 82 M CA 0.996 56.301 55.300 0.009 0.000 1.110 82 M CB -0.634 31.970 32.600 0.006 0.000 1.407 82 M HN 0.103 nan 8.290 nan 0.000 0.470 83 V N -0.084 119.834 119.914 0.007 0.000 2.719 83 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 83 V C 2.033 178.129 176.094 0.004 0.000 1.065 83 V CA 1.140 63.442 62.300 0.004 0.000 1.086 83 V CB -0.578 31.247 31.823 0.004 0.000 0.700 83 V HN 0.456 nan 8.190 nan 0.000 0.467 84 E N 0.104 120.308 120.200 0.006 0.000 2.150 84 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 84 E C 2.256 178.861 176.600 0.007 0.000 0.985 84 E CA 1.216 57.621 56.400 0.007 0.000 0.814 84 E CB -0.103 29.602 29.700 0.009 0.000 0.752 84 E HN 0.464 nan 8.360 nan 0.000 0.466 85 V N 1.415 121.333 119.914 0.006 0.000 2.307 85 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 85 V C 2.349 178.444 176.094 0.001 0.000 1.045 85 V CA 1.895 64.198 62.300 0.005 0.000 1.024 85 V CB -0.636 31.188 31.823 0.002 0.000 0.651 85 V HN 0.301 nan 8.190 nan 0.000 0.449 86 A N -0.387 122.432 122.820 -0.001 0.000 1.969 86 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 86 A C 2.214 179.797 177.584 -0.001 0.000 1.169 86 A CA 2.054 54.090 52.037 -0.003 0.000 0.635 86 A CB -0.412 18.585 19.000 -0.005 0.000 0.810 86 A HN 0.466 nan 8.150 nan 0.000 0.445 87 K N -0.567 119.834 120.400 0.001 0.000 2.025 87 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 87 K C 2.081 178.683 176.600 0.004 0.000 1.049 87 K CA 2.115 58.403 56.287 0.002 0.000 0.933 87 K CB -0.662 31.840 32.500 0.003 0.000 0.714 87 K HN 0.393 nan 8.250 nan 0.000 0.438 88 T N 0.463 115.020 114.554 0.006 0.000 2.684 88 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 88 T C 1.713 176.417 174.700 0.008 0.000 1.036 88 T CA 1.678 63.783 62.100 0.008 0.000 1.148 88 T CB -0.338 68.536 68.868 0.010 0.000 0.863 88 T HN 0.273 nan 8.240 nan 0.000 0.436 89 Q N 1.291 121.094 119.800 0.006 0.000 2.077 89 Q HA -0.154 4.185 4.340 -0.000 0.000 0.206 89 Q C 1.835 177.838 176.000 0.005 0.000 0.989 89 Q CA 2.059 57.865 55.803 0.004 0.000 0.853 89 Q CB -0.655 28.083 28.738 0.001 0.000 0.907 89 Q HN 0.507 nan 8.270 nan 0.000 0.418 90 D N -0.887 119.515 120.400 0.003 0.000 2.310 90 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 90 D C 0.962 177.266 176.300 0.007 0.000 0.965 90 D CA 0.826 54.828 54.000 0.003 0.000 0.879 90 D CB 0.067 40.866 40.800 -0.001 0.000 0.921 90 D HN 0.171 nan 8.370 nan 0.000 0.510 91 K N -0.357 120.048 120.400 0.009 0.000 2.440 91 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 91 K C 0.486 177.094 176.600 0.013 0.000 1.025 91 K CA 0.109 56.403 56.287 0.011 0.000 1.135 91 K CB 0.446 32.952 32.500 0.010 0.000 0.856 91 K HN -0.031 nan 8.250 nan 0.000 0.502 92 E N -1.282 118.925 120.200 0.012 0.000 2.571 92 E HA 0.143 4.493 4.350 -0.000 0.000 0.204 92 E C 0.743 177.350 176.600 0.012 0.000 0.851 92 E CA 0.597 57.004 56.400 0.013 0.000 1.358 92 E CB 1.024 30.731 29.700 0.012 0.000 1.327 92 E HN 0.218 nan 8.360 nan 0.000 0.665 93 A N -0.154 122.672 122.820 0.011 0.000 2.427 93 A HA 0.498 4.818 4.320 -0.000 0.000 0.225 93 A C 1.578 179.168 177.584 0.011 0.000 1.257 93 A CA 0.995 53.038 52.037 0.010 0.000 0.985 93 A CB 0.469 19.474 19.000 0.008 0.000 1.136 93 A HN 0.217 nan 8.150 nan 0.000 0.538 94 G N -0.466 108.340 108.800 0.010 0.000 2.270 94 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.268 94 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.268 94 G C 0.089 174.992 174.900 0.005 0.000 0.982 94 G CA 0.984 46.090 45.100 0.010 0.000 0.628 94 G HN 0.715 nan 8.290 nan 0.000 0.544 95 D N -1.889 118.513 120.400 0.004 0.000 2.559 95 D HA 0.574 5.214 4.640 -0.000 0.000 0.250 95 D C 0.817 177.117 176.300 -0.000 0.000 1.135 95 D CA 0.843 54.844 54.000 0.002 0.000 0.955 95 D CB 0.847 41.650 40.800 0.005 0.000 1.442 95 D HN 1.293 nan 8.370 nan 0.000 0.471 96 G N 0.454 109.253 108.800 -0.003 0.000 2.225 96 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 96 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 96 G C 0.903 175.797 174.900 -0.009 0.000 1.060 96 G CA 1.273 46.369 45.100 -0.006 0.000 0.833 96 G HN 0.657 nan 8.290 nan 0.000 0.498 97 T N -3.188 111.361 114.554 -0.009 0.000 2.737 97 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 97 T C 2.328 177.020 174.700 -0.014 0.000 1.038 97 T CA 2.369 64.464 62.100 -0.010 0.000 1.144 97 T CB -0.568 68.294 68.868 -0.009 0.000 0.866 97 T HN 0.381 nan 8.240 nan 0.000 0.434 98 T N 2.237 116.782 114.554 -0.015 0.000 2.652 98 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 98 T C 2.272 176.957 174.700 -0.025 0.000 1.039 98 T CA 1.944 64.033 62.100 -0.020 0.000 1.153 98 T CB -1.203 67.653 68.868 -0.020 0.000 0.863 98 T HN 0.507 nan 8.240 nan 0.000 0.428 99 T N 2.221 116.760 114.554 -0.024 0.000 2.665 99 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 99 T C 2.398 177.077 174.700 -0.036 0.000 1.035 99 T CA 1.385 63.467 62.100 -0.030 0.000 1.151 99 T CB -0.680 68.173 68.868 -0.025 0.000 0.862 99 T HN 0.482 nan 8.240 nan 0.000 0.438 100 A N 0.744 123.547 122.820 -0.028 0.000 1.902 100 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 100 A C 2.620 180.184 177.584 -0.034 0.000 1.181 100 A CA 1.391 53.410 52.037 -0.029 0.000 0.623 100 A CB -0.959 18.032 19.000 -0.016 0.000 0.818 100 A HN 0.363 nan 8.150 nan 0.000 0.443 101 V N -0.431 119.466 119.914 -0.028 0.000 2.270 101 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 101 V C 2.596 178.667 176.094 -0.038 0.000 1.043 101 V CA 1.976 64.260 62.300 -0.027 0.000 1.014 101 V CB -0.856 30.954 31.823 -0.021 0.000 0.645 101 V HN 0.364 nan 8.190 nan 0.000 0.447 102 V N 0.262 120.151 119.914 -0.041 0.000 2.252 102 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 102 V C 2.179 178.233 176.094 -0.067 0.000 1.056 102 V CA 2.475 64.746 62.300 -0.049 0.000 1.022 102 V CB -0.626 31.169 31.823 -0.047 0.000 0.641 102 V HN 0.476 nan 8.190 nan 0.000 0.445 103 I N 0.226 120.747 120.570 -0.082 0.000 2.700 103 I HA -0.209 3.961 4.170 -0.000 0.000 0.261 103 I C 2.445 178.475 176.117 -0.145 0.000 1.219 103 I CA 1.156 62.379 61.300 -0.127 0.000 1.463 103 I CB -0.550 37.366 38.000 -0.139 0.000 1.092 103 I HN 0.310 nan 8.210 nan 0.000 0.452 104 A N 0.969 123.733 122.820 -0.092 0.000 1.878 104 A HA 0.073 4.392 4.320 -0.000 0.000 0.213 104 A C 2.461 180.017 177.584 -0.047 0.000 1.192 104 A CA 1.253 53.249 52.037 -0.067 0.000 0.619 104 A CB -1.215 17.764 19.000 -0.034 0.000 0.837 104 A HN 0.382 nan 8.150 nan 0.000 0.446 105 G N -0.109 108.666 108.800 -0.042 0.000 2.459 105 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 105 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 105 G C 1.451 176.331 174.900 -0.035 0.000 1.183 105 G CA 1.464 46.545 45.100 -0.033 0.000 0.776 105 G HN 0.552 nan 8.290 nan 0.000 0.552 106 E N -0.031 120.136 120.200 -0.054 0.000 2.118 106 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 106 E C 2.284 178.852 176.600 -0.054 0.000 0.992 106 E CA 0.595 56.960 56.400 -0.057 0.000 0.804 106 E CB -0.452 29.200 29.700 -0.080 0.000 0.741 106 E HN 0.262 nan 8.360 nan 0.000 0.458 107 L N 0.009 121.177 121.223 -0.092 0.000 2.141 107 L HA -0.026 4.314 4.340 -0.000 0.000 0.209 107 L C 2.066 179.023 176.870 0.145 0.000 1.094 107 L CA 1.379 56.166 54.840 -0.089 0.000 0.763 107 L CB -0.314 41.591 42.059 -0.256 0.000 0.908 107 L HN 0.283 nan 8.230 nan 0.000 0.437 108 L N -1.506 119.761 121.223 0.074 0.000 2.095 108 L HA -0.132 4.208 4.340 -0.000 0.000 0.204 108 L C 2.691 179.583 176.870 0.036 0.000 1.080 108 L CA 0.849 55.729 54.840 0.067 0.000 0.759 108 L CB -0.371 41.703 42.059 0.024 0.000 0.914 108 L HN 0.229 nan 8.230 nan 0.000 0.439 109 R N 0.511 121.021 120.500 0.018 0.000 2.080 109 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 109 R C 2.175 178.490 176.300 0.025 0.000 1.137 109 R CA 1.415 57.518 56.100 0.006 0.000 0.943 109 R CB 0.036 30.331 30.300 -0.007 0.000 0.846 109 R HN 0.101 nan 8.270 nan 0.000 0.431 110 K N 0.090 120.521 120.400 0.051 0.000 2.360 110 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 110 K C 1.717 178.376 176.600 0.099 0.000 1.046 110 K CA 1.178 57.514 56.287 0.081 0.000 0.945 110 K CB -0.166 32.399 32.500 0.107 0.000 0.750 110 K HN 0.321 nan 8.250 nan 0.000 0.464 111 A N 0.897 123.768 122.820 0.085 0.000 1.975 111 A HA -0.087 4.232 4.320 -0.000 0.000 0.215 111 A C 2.139 179.691 177.584 -0.053 0.000 1.170 111 A CA 0.940 52.955 52.037 -0.037 0.000 0.656 111 A CB -0.170 18.759 19.000 -0.119 0.000 0.821 111 A HN 0.358 nan 8.150 nan 0.000 0.449 112 E N 0.148 120.333 120.200 -0.024 0.000 2.106 112 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 112 E C 1.759 178.347 176.600 -0.020 0.000 0.984 112 E CA 1.040 57.423 56.400 -0.029 0.000 0.806 112 E CB -0.082 29.604 29.700 -0.023 0.000 0.750 112 E HN 0.723 nan 8.360 nan 0.000 0.458 113 E N 0.309 120.505 120.200 -0.006 0.000 2.118 113 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 113 E C 2.149 178.747 176.600 -0.004 0.000 0.992 113 E CA 1.011 57.411 56.400 -0.000 0.000 0.804 113 E CB -0.055 29.653 29.700 0.013 0.000 0.741 113 E HN 0.343 nan 8.360 nan 0.000 0.458 114 L N 0.475 121.692 121.223 -0.009 0.000 2.217 114 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 114 L C 2.299 179.154 176.870 -0.026 0.000 1.107 114 L CA 0.431 55.262 54.840 -0.014 0.000 0.783 114 L CB -0.134 41.909 42.059 -0.026 0.000 0.919 114 L HN 0.152 nan 8.230 nan 0.000 0.442 115 L N -0.695 120.506 121.223 -0.038 0.000 2.044 115 L HA -0.172 4.167 4.340 -0.000 0.000 0.205 115 L C 2.175 179.027 176.870 -0.030 0.000 1.075 115 L CA 0.960 55.774 54.840 -0.043 0.000 0.747 115 L CB -0.515 41.512 42.059 -0.053 0.000 0.903 115 L HN 0.218 nan 8.230 nan 0.000 0.435 116 D N -0.088 120.299 120.400 -0.023 0.000 2.158 116 D HA -0.254 4.386 4.640 -0.000 0.000 0.197 116 D C 2.042 178.335 176.300 -0.011 0.000 0.995 116 D CA 1.149 55.139 54.000 -0.016 0.000 0.846 116 D CB -0.114 40.679 40.800 -0.012 0.000 0.941 116 D HN 0.312 nan 8.370 nan 0.000 0.456 117 Q N -0.105 119.690 119.800 -0.008 0.000 2.541 117 Q HA -0.023 4.317 4.340 -0.000 0.000 0.215 117 Q C -0.181 175.817 176.000 -0.002 0.000 0.977 117 Q CA 0.156 55.957 55.803 -0.003 0.000 0.934 117 Q CB -0.173 28.565 28.738 0.001 0.000 0.988 117 Q HN 0.331 nan 8.270 nan 0.000 0.521 118 N N -0.842 117.853 118.700 -0.007 0.000 2.850 118 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 118 N C -0.896 174.617 175.510 0.005 0.000 1.060 118 N CA -0.010 53.036 53.050 -0.006 0.000 0.825 118 N CB -0.909 37.578 38.487 0.001 0.000 1.132 118 N HN 0.234 nan 8.380 nan 0.000 0.564 119 I N 1.673 122.246 120.570 0.004 0.000 2.533 119 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 119 I C 1.337 177.476 176.117 0.037 0.000 1.109 119 I CA -0.176 61.139 61.300 0.025 0.000 1.412 119 I CB 0.292 38.299 38.000 0.012 0.000 1.396 119 I HN 0.177 nan 8.210 nan 0.000 0.543 120 H N 9.675 128.732 119.070 -0.022 0.000 3.064 120 H HA 0.004 4.560 4.556 -0.000 0.000 0.329 120 H C -1.504 173.805 175.328 -0.032 0.000 1.020 120 H CA -0.973 55.062 56.048 -0.022 0.000 1.402 120 H CB 1.323 31.076 29.762 -0.016 0.000 1.379 120 H HN 0.415 nan 8.280 nan 0.000 0.594 121 P HA -0.190 nan 4.420 nan 0.000 0.218 121 P C 1.655 179.034 177.300 0.132 0.000 1.148 121 P CA 1.350 64.439 63.100 -0.018 0.000 0.822 121 P CB 0.232 31.869 31.700 -0.105 0.000 0.784 122 S N -0.112 115.857 115.700 0.449 0.000 2.359 122 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 122 S C 2.022 176.671 174.600 0.082 0.000 1.039 122 S CA 1.401 59.732 58.200 0.218 0.000 1.042 122 S CB -0.817 62.395 63.200 0.020 0.000 0.915 122 S HN -0.105 nan 8.310 nan 0.000 0.439 123 I N 1.796 122.412 120.570 0.078 0.000 2.208 123 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 123 I C 2.342 178.467 176.117 0.012 0.000 1.097 123 I CA 1.364 62.682 61.300 0.029 0.000 1.363 123 I CB -1.400 36.619 38.000 0.031 0.000 1.051 123 I HN 0.408 nan 8.210 nan 0.000 0.413 124 I N 0.696 121.254 120.570 -0.019 0.000 2.179 124 I HA -0.281 3.888 4.170 -0.000 0.000 0.242 124 I C 2.612 178.657 176.117 -0.120 0.000 1.088 124 I CA 1.426 62.653 61.300 -0.121 0.000 1.357 124 I CB -0.324 37.538 38.000 -0.230 0.000 1.051 124 I HN 0.082 nan 8.210 nan 0.000 0.409 125 I N 0.553 121.092 120.570 -0.052 0.000 2.163 125 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 125 I C 2.651 178.820 176.117 0.087 0.000 1.085 125 I CA 1.303 62.618 61.300 0.025 0.000 1.347 125 I CB -0.492 37.530 38.000 0.037 0.000 1.044 125 I HN 0.161 nan 8.210 nan 0.000 0.408 126 K N 0.998 121.433 120.400 0.059 0.000 2.032 126 K HA -0.152 4.167 4.320 -0.000 0.000 0.209 126 K C 2.117 178.765 176.600 0.080 0.000 1.048 126 K CA 1.752 58.073 56.287 0.058 0.000 0.927 126 K CB -0.941 31.577 32.500 0.030 0.000 0.712 126 K HN 0.476 nan 8.250 nan 0.000 0.441 127 G N -0.527 108.328 108.800 0.092 0.000 2.402 127 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 127 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 127 G C 1.613 176.642 174.900 0.216 0.000 1.162 127 G CA 0.513 45.687 45.100 0.123 0.000 0.777 127 G HN 0.343 nan 8.290 nan 0.000 0.539 128 Y N 0.980 121.319 120.300 0.065 0.000 2.333 128 Y HA -0.044 4.505 4.550 -0.000 0.000 0.290 128 Y C 3.155 179.052 175.900 -0.004 0.000 1.144 128 Y CA 0.266 58.443 58.100 0.129 0.000 1.228 128 Y CB 0.160 38.778 38.460 0.263 0.000 0.985 128 Y HN 0.316 nan 8.280 nan 0.000 0.542 129 A N 0.240 123.161 122.820 0.168 0.000 1.873 129 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 129 A C 2.111 179.694 177.584 -0.002 0.000 1.186 129 A CA 1.241 53.325 52.037 0.078 0.000 0.616 129 A CB -0.963 18.086 19.000 0.081 0.000 0.823 129 A HN 0.437 nan 8.150 nan 0.000 0.442 130 L N -0.610 120.629 121.223 0.025 0.000 2.012 130 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 130 L C 3.098 179.966 176.870 -0.002 0.000 1.073 130 L CA 1.212 56.095 54.840 0.072 0.000 0.748 130 L CB -0.716 41.438 42.059 0.159 0.000 0.891 130 L HN 0.429 nan 8.230 nan 0.000 0.431 131 A N 0.136 122.846 122.820 -0.184 0.000 1.902 131 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 131 A C 2.538 179.658 177.584 -0.774 0.000 1.181 131 A CA 1.849 53.555 52.037 -0.551 0.000 0.623 131 A CB -0.710 17.626 19.000 -1.107 0.000 0.818 131 A HN 0.412 nan 8.150 nan 0.000 0.443 132 A N -0.975 121.417 122.820 -0.714 0.000 1.930 132 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 132 A C 2.054 179.551 177.584 -0.145 0.000 1.175 132 A CA 1.628 53.485 52.037 -0.300 0.000 0.627 132 A CB -0.370 18.623 19.000 -0.011 0.000 0.815 132 A HN 0.442 nan 8.150 nan 0.000 0.443 133 E N -0.103 120.017 120.200 -0.133 0.000 2.047 133 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 133 E C 1.992 178.503 176.600 -0.148 0.000 0.987 133 E CA 1.425 57.767 56.400 -0.096 0.000 0.799 133 E CB -0.169 29.494 29.700 -0.061 0.000 0.752 133 E HN 0.493 nan 8.360 nan 0.000 0.449 134 K N 0.696 120.951 120.400 -0.241 0.000 2.283 134 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 134 K C 1.660 178.102 176.600 -0.264 0.000 1.048 134 K CA 1.121 57.184 56.287 -0.374 0.000 0.948 134 K CB -0.211 31.813 32.500 -0.794 0.000 0.742 134 K HN 0.071 nan 8.250 nan 0.000 0.458 135 A N 0.017 122.719 122.820 -0.196 0.000 1.970 135 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 135 A C 1.895 179.443 177.584 -0.059 0.000 1.170 135 A CA 0.810 52.785 52.037 -0.103 0.000 0.645 135 A CB -0.326 18.649 19.000 -0.042 0.000 0.816 135 A HN 0.264 nan 8.150 nan 0.000 0.447 136 Q N -0.084 119.682 119.800 -0.058 0.000 2.050 136 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 136 Q C 1.956 177.929 176.000 -0.044 0.000 0.980 136 Q CA 1.777 57.560 55.803 -0.034 0.000 0.840 136 Q CB -0.593 28.129 28.738 -0.028 0.000 0.898 136 Q HN 0.889 nan 8.270 nan 0.000 0.424 137 E N 0.505 120.663 120.200 -0.070 0.000 2.049 137 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 137 E C 2.046 178.607 176.600 -0.065 0.000 1.007 137 E CA 1.263 57.618 56.400 -0.074 0.000 0.809 137 E CB -0.155 29.477 29.700 -0.112 0.000 0.749 137 E HN 0.336 nan 8.360 nan 0.000 0.450 138 I N 0.699 121.223 120.570 -0.077 0.000 2.286 138 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 138 I C 2.489 178.591 176.117 -0.025 0.000 1.115 138 I CA 0.715 61.983 61.300 -0.053 0.000 1.392 138 I CB -0.187 37.779 38.000 -0.057 0.000 1.065 138 I HN 0.221 nan 8.210 nan 0.000 0.418 139 L N 0.230 121.441 121.223 -0.020 0.000 2.056 139 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 139 L C 2.238 179.104 176.870 -0.006 0.000 1.078 139 L CA 1.275 56.112 54.840 -0.006 0.000 0.749 139 L CB -0.616 41.442 42.059 -0.001 0.000 0.901 139 L HN 0.253 nan 8.230 nan 0.000 0.433 140 D N -0.239 120.153 120.400 -0.013 0.000 2.116 140 D HA -0.245 4.395 4.640 -0.000 0.000 0.193 140 D C 1.964 178.258 176.300 -0.010 0.000 0.998 140 D CA 1.345 55.338 54.000 -0.011 0.000 0.836 140 D CB 0.006 40.796 40.800 -0.016 0.000 0.951 140 D HN 0.382 nan 8.370 nan 0.000 0.449 141 E N 0.379 120.570 120.200 -0.014 0.000 2.007 141 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 141 E C 2.389 178.986 176.600 -0.005 0.000 0.999 141 E CA 0.966 57.359 56.400 -0.012 0.000 0.811 141 E CB -0.139 29.550 29.700 -0.017 0.000 0.762 141 E HN 0.376 nan 8.360 nan 0.000 0.450 142 I N -0.504 120.066 120.570 -0.001 0.000 2.850 142 I HA 0.030 4.200 4.170 -0.000 0.000 0.266 142 I C 0.882 177.003 176.117 0.007 0.000 1.257 142 I CA 0.300 61.604 61.300 0.007 0.000 1.465 142 I CB -0.460 37.552 38.000 0.020 0.000 1.091 142 I HN -0.079 nan 8.210 nan 0.000 0.467 143 A N 2.204 125.027 122.820 0.004 0.000 2.548 143 A HA 0.297 4.617 4.320 -0.000 0.000 0.247 143 A C 0.331 177.917 177.584 0.002 0.000 1.067 143 A CA -0.087 51.953 52.037 0.004 0.000 0.757 143 A CB -0.388 18.613 19.000 0.002 0.000 0.996 143 A HN 0.459 nan 8.150 nan 0.000 0.504 144 I N 4.662 125.234 120.570 0.003 0.000 2.278 144 I HA 0.046 4.216 4.170 -0.000 0.000 0.300 144 I C 0.394 176.510 176.117 -0.002 0.000 1.174 144 I CA -0.406 60.894 61.300 0.001 0.000 1.347 144 I CB -0.184 37.817 38.000 0.002 0.000 1.473 144 I HN 0.535 nan 8.210 nan 0.000 0.595 145 R N 4.009 124.508 120.500 -0.002 0.000 2.504 145 R HA 0.148 4.487 4.340 -0.000 0.000 0.291 145 R C -0.205 176.091 176.300 -0.006 0.000 0.974 145 R CA 0.102 56.200 56.100 -0.004 0.000 1.077 145 R CB 0.626 30.925 30.300 -0.001 0.000 0.926 145 R HN 0.361 nan 8.270 nan 0.000 0.407 146 V N 1.452 121.360 119.914 -0.010 0.000 3.164 146 V HA 0.237 4.357 4.120 -0.000 0.000 0.313 146 V C -0.792 175.291 176.094 -0.018 0.000 1.188 146 V CA -0.900 61.392 62.300 -0.014 0.000 1.058 146 V CB 2.485 34.297 31.823 -0.018 0.000 1.110 146 V HN 0.694 nan 8.190 nan 0.000 0.453 147 D N 2.162 122.549 120.400 -0.021 0.000 2.336 147 D HA 0.341 4.981 4.640 -0.000 0.000 0.249 147 D C -1.698 174.567 176.300 -0.059 0.000 1.213 147 D CA -1.833 52.154 54.000 -0.023 0.000 0.870 147 D CB 1.664 42.457 40.800 -0.011 0.000 1.076 147 D HN 0.222 nan 8.370 nan 0.000 0.483 148 P HA -0.205 nan 4.420 nan 0.000 0.223 148 P C 0.031 177.129 177.300 -0.337 0.000 1.153 148 P CA 1.403 64.380 63.100 -0.205 0.000 0.853 148 P CB 0.194 31.803 31.700 -0.152 0.000 0.777 149 D N -4.072 116.213 120.400 -0.192 0.000 2.582 149 D HA 0.007 4.647 4.640 -0.000 0.000 0.246 149 D C -0.163 176.098 176.300 -0.064 0.000 1.334 149 D CA -0.327 53.578 54.000 -0.158 0.000 0.805 149 D CB -1.157 39.601 40.800 -0.070 0.000 1.087 149 D HN -0.044 nan 8.370 nan 0.000 0.499 150 D N 1.909 122.276 120.400 -0.054 0.000 2.483 150 D HA -0.096 4.544 4.640 -0.000 0.000 0.261 150 D C 1.403 177.687 176.300 -0.026 0.000 1.318 150 D CA 0.254 54.237 54.000 -0.028 0.000 1.201 150 D CB 0.448 41.233 40.800 -0.025 0.000 1.127 150 D HN 0.173 nan 8.370 nan 0.000 0.519 151 E N 2.465 122.655 120.200 -0.017 0.000 2.277 151 E HA -0.365 3.985 4.350 -0.000 0.000 0.216 151 E C 1.346 177.941 176.600 -0.009 0.000 1.068 151 E CA 2.188 58.581 56.400 -0.011 0.000 0.866 151 E CB -0.036 29.664 29.700 -0.001 0.000 0.749 151 E HN 0.623 nan 8.360 nan 0.000 0.465 152 E N -0.415 119.780 120.200 -0.008 0.000 2.000 152 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 152 E C 2.131 178.726 176.600 -0.008 0.000 1.011 152 E CA 2.902 59.298 56.400 -0.006 0.000 0.836 152 E CB -1.038 28.659 29.700 -0.005 0.000 0.778 152 E HN 0.394 nan 8.360 nan 0.000 0.462 153 T N -1.076 113.471 114.554 -0.011 0.000 2.897 153 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 153 T C 1.797 176.489 174.700 -0.014 0.000 1.084 153 T CA 1.205 63.299 62.100 -0.011 0.000 1.123 153 T CB -0.291 68.569 68.868 -0.014 0.000 0.865 153 T HN 0.126 nan 8.240 nan 0.000 0.496 154 L N -0.065 121.147 121.223 -0.019 0.000 2.156 154 L HA 0.257 4.597 4.340 -0.000 0.000 0.208 154 L C 2.370 179.235 176.870 -0.008 0.000 1.095 154 L CA 0.959 55.787 54.840 -0.021 0.000 0.770 154 L CB -0.709 41.330 42.059 -0.034 0.000 0.914 154 L HN 0.277 nan 8.230 nan 0.000 0.439 155 L N -0.976 120.245 121.223 -0.004 0.000 2.179 155 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 155 L C 2.288 179.161 176.870 0.005 0.000 1.096 155 L CA 1.286 56.128 54.840 0.003 0.000 0.779 155 L CB -0.748 41.312 42.059 0.003 0.000 0.922 155 L HN 0.323 nan 8.230 nan 0.000 0.443 156 K N -0.272 120.129 120.400 0.002 0.000 1.967 156 K HA -0.108 4.212 4.320 -0.000 0.000 0.212 156 K C 1.961 178.566 176.600 0.010 0.000 1.044 156 K CA 0.858 57.148 56.287 0.005 0.000 0.942 156 K CB -0.073 32.429 32.500 0.004 0.000 0.726 156 K HN 0.021 nan 8.250 nan 0.000 0.440 157 I N 1.719 122.293 120.570 0.007 0.000 2.227 157 I HA -0.340 3.830 4.170 -0.000 0.000 0.250 157 I C 2.436 178.561 176.117 0.014 0.000 1.087 157 I CA 1.744 63.049 61.300 0.009 0.000 1.352 157 I CB -1.324 36.676 38.000 0.001 0.000 1.043 157 I HN 0.234 nan 8.210 nan 0.000 0.425 158 A N 0.265 123.093 122.820 0.014 0.000 1.929 158 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 158 A C 2.509 180.108 177.584 0.026 0.000 1.176 158 A CA 1.657 53.707 52.037 0.021 0.000 0.628 158 A CB -0.539 18.474 19.000 0.022 0.000 0.816 158 A HN 0.434 nan 8.150 nan 0.000 0.444 159 A N -1.439 121.394 122.820 0.023 0.000 1.975 159 A HA 0.058 4.378 4.320 -0.000 0.000 0.215 159 A C 2.182 179.785 177.584 0.032 0.000 1.170 159 A CA 1.809 53.861 52.037 0.024 0.000 0.656 159 A CB -0.944 18.064 19.000 0.013 0.000 0.821 159 A HN 0.362 nan 8.150 nan 0.000 0.449 160 T N -0.461 114.113 114.554 0.033 0.000 2.881 160 T HA -0.101 4.248 4.350 -0.000 0.000 0.270 160 T C 2.198 176.927 174.700 0.050 0.000 1.068 160 T CA 1.646 63.775 62.100 0.048 0.000 1.131 160 T CB -0.155 68.737 68.868 0.040 0.000 0.871 160 T HN 0.481 nan 8.240 nan 0.000 0.479 161 S N 0.557 116.279 115.700 0.037 0.000 2.348 161 S HA 0.072 4.542 4.470 -0.000 0.000 0.219 161 S C 2.007 176.628 174.600 0.036 0.000 1.033 161 S CA 0.453 58.672 58.200 0.032 0.000 0.974 161 S CB -0.343 62.871 63.200 0.024 0.000 0.868 161 S HN 0.454 nan 8.310 nan 0.000 0.459 162 I N 1.201 121.793 120.570 0.038 0.000 2.423 162 I HA -0.107 4.062 4.170 -0.000 0.000 0.254 162 I C 0.585 176.737 176.117 0.057 0.000 1.151 162 I CA 0.774 62.099 61.300 0.041 0.000 1.421 162 I CB -0.569 37.458 38.000 0.044 0.000 1.079 162 I HN 0.209 nan 8.210 nan 0.000 0.431 163 T N 1.252 115.849 114.554 0.071 0.000 2.782 163 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 163 T C 0.690 175.456 174.700 0.110 0.000 0.944 163 T CA 0.564 62.733 62.100 0.116 0.000 1.001 163 T CB 0.706 69.659 68.868 0.142 0.000 0.932 163 T HN 0.598 nan 8.240 nan 0.000 0.524 164 G N 3.157 112.012 108.800 0.091 0.000 3.288 164 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.219 164 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.219 164 G C 0.001 174.921 174.900 0.033 0.000 0.944 164 G CA -0.474 44.654 45.100 0.048 0.000 0.854 164 G HN 0.535 nan 8.290 nan 0.000 0.632 165 K N -0.570 119.858 120.400 0.047 0.000 2.283 165 K HA 0.387 4.706 4.320 -0.000 0.000 0.257 165 K C 0.810 177.439 176.600 0.048 0.000 1.066 165 K CA -0.612 55.696 56.287 0.035 0.000 0.891 165 K CB 1.311 33.826 32.500 0.025 0.000 1.438 165 K HN 0.020 nan 8.250 nan 0.000 0.464 166 N N 0.575 119.299 118.700 0.040 0.000 2.025 166 N HA -0.211 4.529 4.740 -0.000 0.000 0.194 166 N C 1.515 177.068 175.510 0.071 0.000 1.044 166 N CA 1.609 54.689 53.050 0.049 0.000 0.851 166 N CB -0.079 38.432 38.487 0.040 0.000 1.036 166 N HN 0.592 nan 8.380 nan 0.000 0.422 167 A N 1.638 124.501 122.820 0.072 0.000 2.245 167 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 167 A C 1.559 179.226 177.584 0.138 0.000 1.171 167 A CA 1.445 53.547 52.037 0.108 0.000 0.688 167 A CB -0.805 18.233 19.000 0.063 0.000 0.781 167 A HN 0.730 nan 8.150 nan 0.000 0.479 168 E N 0.753 121.011 120.200 0.096 0.000 2.492 168 E HA -0.205 4.144 4.350 -0.000 0.000 0.204 168 E C 1.352 177.976 176.600 0.040 0.000 1.073 168 E CA 1.252 57.698 56.400 0.077 0.000 0.887 168 E CB -0.664 29.094 29.700 0.097 0.000 0.813 168 E HN 0.728 nan 8.360 nan 0.000 0.562 169 S N 0.224 115.957 115.700 0.055 0.000 2.489 169 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 169 S C 0.416 174.782 174.600 -0.389 0.000 0.995 169 S CA 0.692 58.815 58.200 -0.129 0.000 0.934 169 S CB -0.252 62.879 63.200 -0.115 0.000 0.771 169 S HN 0.493 nan 8.310 nan 0.000 0.522 170 H N 0.501 119.574 119.070 0.005 0.000 2.907 170 H HA 0.314 4.870 4.556 -0.000 0.000 0.233 170 H C 0.900 176.231 175.328 0.005 0.000 1.285 170 H CA -0.571 55.480 56.048 0.004 0.000 0.981 170 H CB -0.055 29.713 29.762 0.010 0.000 2.255 170 H HN 0.463 nan 8.280 nan 0.000 0.601 171 K N 0.128 120.580 120.400 0.088 0.000 2.362 171 K HA -0.220 4.100 4.320 -0.000 0.000 0.202 171 K C 1.519 178.148 176.600 0.048 0.000 1.045 171 K CA 1.662 57.985 56.287 0.060 0.000 0.936 171 K CB 0.492 33.008 32.500 0.028 0.000 0.747 171 K HN 0.141 nan 8.250 nan 0.000 0.467 172 E N 1.640 121.866 120.200 0.044 0.000 2.001 172 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 172 E C 1.829 178.457 176.600 0.047 0.000 1.002 172 E CA 1.246 57.666 56.400 0.032 0.000 0.819 172 E CB -0.463 29.250 29.700 0.021 0.000 0.769 172 E HN 0.290 nan 8.360 nan 0.000 0.454 173 L N 0.562 121.826 121.223 0.069 0.000 1.971 173 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 173 L C 2.328 179.231 176.870 0.055 0.000 1.072 173 L CA 1.972 56.850 54.840 0.063 0.000 0.758 173 L CB -0.935 41.171 42.059 0.078 0.000 0.889 173 L HN 0.354 nan 8.230 nan 0.000 0.433 174 L N -0.373 120.889 121.223 0.064 0.000 2.079 174 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 174 L C 2.647 179.551 176.870 0.055 0.000 1.081 174 L CA 1.264 56.139 54.840 0.058 0.000 0.752 174 L CB -1.056 41.037 42.059 0.056 0.000 0.896 174 L HN 0.456 nan 8.230 nan 0.000 0.433 175 A N -0.288 122.561 122.820 0.048 0.000 2.014 175 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 175 A C 2.396 180.000 177.584 0.034 0.000 1.163 175 A CA 1.433 53.493 52.037 0.039 0.000 0.652 175 A CB -0.265 18.753 19.000 0.030 0.000 0.808 175 A HN 0.336 nan 8.150 nan 0.000 0.449 176 K N -0.030 120.391 120.400 0.034 0.000 1.991 176 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 176 K C 1.791 178.410 176.600 0.032 0.000 1.045 176 K CA 1.073 57.377 56.287 0.029 0.000 0.937 176 K CB -0.341 32.175 32.500 0.027 0.000 0.720 176 K HN 0.408 nan 8.250 nan 0.000 0.438 177 L N 0.772 122.019 121.223 0.039 0.000 2.081 177 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 177 L C 2.600 179.498 176.870 0.046 0.000 1.080 177 L CA 1.407 56.272 54.840 0.042 0.000 0.754 177 L CB -0.604 41.488 42.059 0.055 0.000 0.893 177 L HN 0.356 nan 8.230 nan 0.000 0.433 178 A N -0.520 122.334 122.820 0.057 0.000 1.897 178 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 178 A C 2.253 179.861 177.584 0.040 0.000 1.181 178 A CA 1.362 53.437 52.037 0.064 0.000 0.620 178 A CB -0.535 18.510 19.000 0.075 0.000 0.821 178 A HN 0.198 nan 8.150 nan 0.000 0.443 179 V N -0.054 119.877 119.914 0.029 0.000 2.488 179 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 179 V C 2.395 178.498 176.094 0.015 0.000 1.046 179 V CA 1.971 64.281 62.300 0.016 0.000 1.053 179 V CB -0.692 31.137 31.823 0.010 0.000 0.679 179 V HN 0.729 nan 8.190 nan 0.000 0.458 180 E N 0.868 121.079 120.200 0.018 0.000 2.031 180 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 180 E C 2.257 178.864 176.600 0.012 0.000 0.994 180 E CA 1.434 57.844 56.400 0.016 0.000 0.800 180 E CB -0.251 29.459 29.700 0.017 0.000 0.752 180 E HN 0.532 nan 8.360 nan 0.000 0.447 181 A N 0.363 123.187 122.820 0.006 0.000 2.019 181 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 181 A C 2.260 179.839 177.584 -0.008 0.000 1.164 181 A CA 1.284 53.314 52.037 -0.012 0.000 0.644 181 A CB -0.268 18.712 19.000 -0.035 0.000 0.805 181 A HN 0.244 nan 8.150 nan 0.000 0.449 182 V N -0.355 119.564 119.914 0.009 0.000 2.878 182 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 182 V C 2.243 178.359 176.094 0.036 0.000 1.075 182 V CA 1.776 64.087 62.300 0.018 0.000 1.096 182 V CB -0.405 31.430 31.823 0.020 0.000 0.724 182 V HN 0.528 nan 8.190 nan 0.000 0.467 183 K N 0.058 120.479 120.400 0.035 0.000 2.057 183 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 183 K C 2.227 178.864 176.600 0.062 0.000 1.050 183 K CA 1.456 57.780 56.287 0.062 0.000 0.935 183 K CB -0.173 32.355 32.500 0.047 0.000 0.715 183 K HN 0.286 nan 8.250 nan 0.000 0.439 184 Q N 1.322 121.143 119.800 0.035 0.000 2.061 184 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 184 Q C 1.892 177.904 176.000 0.020 0.000 0.984 184 Q CA 2.000 57.817 55.803 0.024 0.000 0.846 184 Q CB -0.130 28.613 28.738 0.008 0.000 0.902 184 Q HN 0.286 nan 8.270 nan 0.000 0.421 185 V N -2.200 117.722 119.914 0.014 0.000 3.608 185 V HA 0.493 4.613 4.120 -0.000 0.000 0.269 185 V C 0.918 177.029 176.094 0.027 0.000 1.245 185 V CA 0.226 62.531 62.300 0.008 0.000 1.138 185 V CB -1.099 30.716 31.823 -0.013 0.000 0.841 185 V HN 0.336 nan 8.190 nan 0.000 0.451 186 A N 0.825 123.681 122.820 0.060 0.000 2.492 186 A HA 0.469 4.789 4.320 -0.000 0.000 0.236 186 A C 0.138 177.758 177.584 0.059 0.000 1.078 186 A CA 0.353 52.452 52.037 0.103 0.000 0.773 186 A CB 0.204 19.336 19.000 0.219 0.000 1.023 186 A HN 0.663 nan 8.150 nan 0.000 0.504 187 E N -0.469 119.756 120.200 0.042 0.000 2.367 187 E HA 0.635 4.985 4.350 -0.000 0.000 0.273 187 E C -0.999 175.521 176.600 -0.134 0.000 0.903 187 E CA -0.535 55.840 56.400 -0.042 0.000 0.764 187 E CB 1.512 31.200 29.700 -0.021 0.000 1.252 187 E HN 0.538 nan 8.360 nan 0.000 0.446 188 K N 2.911 123.187 120.400 -0.207 0.000 2.664 188 K HA 0.171 4.490 4.320 -0.000 0.000 0.298 188 K C -1.034 175.453 176.600 -0.188 0.000 1.152 188 K CA -0.313 55.804 56.287 -0.283 0.000 1.038 188 K CB 0.212 32.299 32.500 -0.688 0.000 1.342 188 K HN 0.389 nan 8.250 nan 0.000 0.496 189 K N 1.555 121.888 120.400 -0.112 0.000 2.477 189 K HA 0.120 4.440 4.320 -0.000 0.000 0.208 189 K C 0.228 176.795 176.600 -0.056 0.000 1.117 189 K CA 0.429 56.670 56.287 -0.077 0.000 1.039 189 K CB 0.386 32.853 32.500 -0.054 0.000 0.937 189 K HN 0.471 nan 8.250 nan 0.000 0.570 190 D N -0.249 120.120 120.400 -0.053 0.000 2.433 190 D HA 0.241 4.881 4.640 -0.000 0.000 0.211 190 D C 1.001 177.286 176.300 -0.025 0.000 1.114 190 D CA 0.388 54.370 54.000 -0.030 0.000 0.837 190 D CB 0.721 41.511 40.800 -0.018 0.000 0.984 190 D HN 0.311 nan 8.370 nan 0.000 0.505 191 G N 0.842 109.617 108.800 -0.042 0.000 2.493 191 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 191 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 191 G C 0.171 175.066 174.900 -0.009 0.000 1.109 191 G CA -0.350 44.736 45.100 -0.023 0.000 0.689 191 G HN 0.301 nan 8.290 nan 0.000 0.516 192 K N 0.141 120.548 120.400 0.011 0.000 2.166 192 K HA 0.641 4.960 4.320 -0.000 0.000 0.245 192 K C -0.646 175.996 176.600 0.070 0.000 0.967 192 K CA -0.813 55.529 56.287 0.093 0.000 0.863 192 K CB 1.460 34.018 32.500 0.096 0.000 1.107 192 K HN 0.155 nan 8.250 nan 0.000 0.436 193 Y N 0.014 120.316 120.300 0.004 0.000 2.299 193 Y HA 0.269 4.819 4.550 -0.000 0.000 0.335 193 Y C 0.318 176.220 175.900 0.004 0.000 1.287 193 Y CA -0.458 57.644 58.100 0.004 0.000 1.424 193 Y CB 0.854 39.316 38.460 0.005 0.000 1.326 193 Y HN 0.068 nan 8.280 nan 0.000 0.567 194 V N 1.963 121.976 119.914 0.165 0.000 2.697 194 V HA 0.264 4.384 4.120 -0.000 0.000 0.296 194 V C -1.319 174.825 176.094 0.084 0.000 1.140 194 V CA -0.933 61.423 62.300 0.094 0.000 0.921 194 V CB 1.700 33.552 31.823 0.047 0.000 1.036 194 V HN 0.483 nan 8.190 nan 0.000 0.438 195 V N 3.275 123.234 119.914 0.075 0.000 2.398 195 V HA 0.491 4.611 4.120 -0.000 0.000 0.286 195 V C -0.134 175.982 176.094 0.037 0.000 1.026 195 V CA -0.455 61.880 62.300 0.058 0.000 0.868 195 V CB 1.945 33.803 31.823 0.059 0.000 0.982 195 V HN 0.890 nan 8.190 nan 0.000 0.443 196 D N 4.555 124.971 120.400 0.026 0.000 2.485 196 D HA 0.258 4.898 4.640 -0.000 0.000 0.229 196 D C 1.076 177.384 176.300 0.012 0.000 1.101 196 D CA -0.323 53.687 54.000 0.017 0.000 0.906 196 D CB 1.238 42.044 40.800 0.009 0.000 1.019 196 D HN 0.509 nan 8.370 nan 0.000 0.516 197 L N 2.087 123.323 121.223 0.022 0.000 2.351 197 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 197 L C 1.538 178.414 176.870 0.010 0.000 1.127 197 L CA 0.768 55.623 54.840 0.025 0.000 0.786 197 L CB -0.158 41.932 42.059 0.052 0.000 0.914 197 L HN 0.330 nan 8.230 nan 0.000 0.443 198 D N 0.126 120.530 120.400 0.006 0.000 2.263 198 D HA -0.141 4.498 4.640 -0.000 0.000 0.208 198 D C 1.494 177.774 176.300 -0.035 0.000 0.971 198 D CA 0.870 54.866 54.000 -0.006 0.000 0.867 198 D CB -0.185 40.612 40.800 -0.004 0.000 0.929 198 D HN 0.408 nan 8.370 nan 0.000 0.492 199 N N 0.438 119.115 118.700 -0.039 0.000 2.521 199 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 199 N C 0.222 175.673 175.510 -0.098 0.000 1.146 199 N CA 0.271 53.286 53.050 -0.057 0.000 0.893 199 N CB 0.710 39.175 38.487 -0.038 0.000 0.975 199 N HN 0.316 nan 8.380 nan 0.000 0.451 200 I N 1.098 121.588 120.570 -0.134 0.000 2.405 200 I HA 0.154 4.324 4.170 -0.000 0.000 0.280 200 I C 0.183 176.060 176.117 -0.401 0.000 1.027 200 I CA -0.680 60.463 61.300 -0.262 0.000 1.161 200 I CB 1.330 39.165 38.000 -0.275 0.000 1.300 200 I HN -0.222 nan 8.210 nan 0.000 0.463 201 K N 6.248 126.432 120.400 -0.361 0.000 2.144 201 K HA 0.501 4.821 4.320 -0.000 0.000 0.270 201 K C -1.391 174.922 176.600 -0.478 0.000 1.005 201 K CA -0.252 55.849 56.287 -0.309 0.000 0.932 201 K CB 0.964 33.360 32.500 -0.174 0.000 1.021 201 K HN 0.285 nan 8.250 nan 0.000 0.462 202 F N 2.235 122.162 119.950 -0.038 0.000 2.426 202 F HA 0.223 4.750 4.527 -0.000 0.000 0.348 202 F C -0.099 175.674 175.800 -0.045 0.000 1.124 202 F CA -0.749 57.230 58.000 -0.034 0.000 1.008 202 F CB 1.801 40.785 39.000 -0.027 0.000 1.139 202 F HN 0.532 nan 8.300 nan 0.000 0.452 203 E N 4.076 124.341 120.200 0.109 0.000 2.114 203 E HA 0.286 4.636 4.350 -0.000 0.000 0.266 203 E C -1.197 175.436 176.600 0.055 0.000 0.896 203 E CA -0.617 55.805 56.400 0.036 0.000 0.750 203 E CB 0.706 30.381 29.700 -0.043 0.000 1.121 203 E HN 0.385 nan 8.360 nan 0.000 0.413 204 K N 3.823 124.246 120.400 0.040 0.000 2.211 204 K HA 0.433 4.753 4.320 -0.000 0.000 0.275 204 K C -0.458 176.150 176.600 0.014 0.000 1.024 204 K CA -0.798 55.504 56.287 0.026 0.000 0.887 204 K CB 1.104 33.608 32.500 0.007 0.000 1.084 204 K HN 0.111 nan 8.250 nan 0.000 0.463 205 K N 1.875 122.288 120.400 0.021 0.000 2.565 205 K HA 0.345 4.665 4.320 -0.000 0.000 0.249 205 K C -0.919 175.694 176.600 0.022 0.000 0.958 205 K CA -0.548 55.753 56.287 0.024 0.000 0.806 205 K CB 2.124 34.650 32.500 0.044 0.000 1.194 205 K HN 0.778 nan 8.250 nan 0.000 0.434 206 A N 1.479 124.309 122.820 0.016 0.000 2.406 206 A HA 0.668 4.988 4.320 -0.000 0.000 0.243 206 A C 0.655 178.252 177.584 0.021 0.000 1.082 206 A CA 1.121 53.167 52.037 0.016 0.000 0.786 206 A CB -0.137 18.871 19.000 0.013 0.000 1.029 206 A HN 0.938 nan 8.150 nan 0.000 0.495 207 G N -0.209 108.603 108.800 0.019 0.000 2.655 207 G HA2 0.320 4.280 3.960 -0.000 0.000 0.680 207 G HA3 0.320 4.280 3.960 -0.000 0.000 0.680 207 G C -0.201 174.710 174.900 0.018 0.000 1.302 207 G CA 0.038 45.150 45.100 0.020 0.000 0.872 207 G HN 1.706 nan 8.290 nan 0.000 0.540 208 E N -2.143 118.067 120.200 0.017 0.000 3.642 208 E HA -0.071 4.279 4.350 -0.000 0.000 0.245 208 E C 0.779 177.386 176.600 0.011 0.000 1.486 208 E CA 2.043 58.452 56.400 0.014 0.000 2.265 208 E CB -1.403 28.305 29.700 0.014 0.000 2.084 208 E HN 2.210 nan 8.360 nan 0.000 0.472 209 G N -1.435 107.368 108.800 0.005 0.000 2.569 209 G HA2 0.485 4.445 3.960 -0.000 0.000 0.300 209 G HA3 0.485 4.445 3.960 -0.000 0.000 0.300 209 G C 0.603 175.469 174.900 -0.056 0.000 1.269 209 G CA -0.111 44.987 45.100 -0.003 0.000 0.959 209 G HN 0.266 nan 8.290 nan 0.000 0.478 210 V N 0.817 120.638 119.914 -0.154 0.000 3.140 210 V HA -0.095 4.025 4.120 -0.000 0.000 0.269 210 V C 2.362 178.321 176.094 -0.224 0.000 1.149 210 V CA 1.499 63.632 62.300 -0.279 0.000 1.162 210 V CB -0.394 31.078 31.823 -0.585 0.000 0.756 210 V HN 0.665 nan 8.190 nan 0.000 0.523 211 E N 0.321 120.459 120.200 -0.103 0.000 2.106 211 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 211 E C 2.021 178.625 176.600 0.006 0.000 0.984 211 E CA 0.866 57.270 56.400 0.008 0.000 0.806 211 E CB -0.106 29.632 29.700 0.063 0.000 0.750 211 E HN 0.653 nan 8.360 nan 0.000 0.458 212 E N 0.803 121.002 120.200 -0.002 0.000 2.511 212 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 212 E C 0.373 176.982 176.600 0.014 0.000 1.066 212 E CA 0.020 56.425 56.400 0.009 0.000 0.871 212 E CB -0.215 29.492 29.700 0.011 0.000 0.863 212 E HN -0.086 nan 8.360 nan 0.000 0.520 213 S N 2.101 117.802 115.700 0.002 0.000 2.546 213 S HA 0.092 4.562 4.470 -0.000 0.000 0.290 213 S C 0.394 175.013 174.600 0.032 0.000 1.290 213 S CA 0.156 58.367 58.200 0.019 0.000 1.069 213 S CB 0.213 63.414 63.200 0.001 0.000 0.846 213 S HN 0.256 nan 8.310 nan 0.000 0.495 214 E N 1.452 121.680 120.200 0.047 0.000 2.429 214 E HA 0.649 4.999 4.350 -0.000 0.000 0.276 214 E C -1.390 175.238 176.600 0.047 0.000 0.953 214 E CA -1.147 55.279 56.400 0.044 0.000 0.787 214 E CB 0.791 30.516 29.700 0.042 0.000 1.307 214 E HN 0.302 nan 8.360 nan 0.000 0.458 215 L N 1.228 122.472 121.223 0.035 0.000 2.292 215 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 215 L C -1.269 175.619 176.870 0.031 0.000 1.065 215 L CA -0.602 54.251 54.840 0.022 0.000 0.806 215 L CB 1.636 43.703 42.059 0.013 0.000 1.175 215 L HN 0.533 nan 8.230 nan 0.000 0.431 216 V N 6.440 126.370 119.914 0.026 0.000 2.313 216 V HA 0.396 4.516 4.120 -0.000 0.000 0.278 216 V C 0.736 176.837 176.094 0.013 0.000 1.017 216 V CA -0.547 61.782 62.300 0.047 0.000 0.823 216 V CB 0.927 32.803 31.823 0.088 0.000 1.010 216 V HN 0.667 nan 8.190 nan 0.000 0.443 217 R N 3.569 124.077 120.500 0.013 0.000 4.886 217 R HA 0.390 4.730 4.340 -0.000 0.000 0.181 217 R C 0.909 177.206 176.300 -0.006 0.000 1.989 217 R CA 0.537 56.637 56.100 0.001 0.000 1.623 217 R CB -0.140 30.165 30.300 0.008 0.000 1.383 217 R HN 0.967 nan 8.270 nan 0.000 0.847 218 G N -1.226 107.565 108.800 -0.015 0.000 2.947 218 G HA2 0.289 4.249 3.960 -0.000 0.000 0.115 218 G HA3 0.289 4.249 3.960 -0.000 0.000 0.115 218 G C -1.340 173.528 174.900 -0.053 0.000 1.214 218 G CA -0.266 44.818 45.100 -0.026 0.000 1.324 218 G HN 0.083 nan 8.290 nan 0.000 0.645 219 V N 0.051 119.927 119.914 -0.062 0.000 2.924 219 V HA 0.549 4.669 4.120 -0.000 0.000 0.300 219 V C -0.859 175.138 176.094 -0.161 0.000 1.227 219 V CA -0.616 61.613 62.300 -0.119 0.000 0.954 219 V CB 1.840 33.572 31.823 -0.150 0.000 1.055 219 V HN 0.655 nan 8.190 nan 0.000 0.429 220 V N 5.360 125.133 119.914 -0.235 0.000 2.435 220 V HA 0.585 4.705 4.120 -0.000 0.000 0.290 220 V C -0.262 175.647 176.094 -0.308 0.000 1.030 220 V CA -0.385 61.670 62.300 -0.407 0.000 0.881 220 V CB 1.693 33.167 31.823 -0.580 0.000 0.983 220 V HN 0.665 nan 8.190 nan 0.000 0.445 221 I N 2.944 123.342 120.570 -0.286 0.000 2.509 221 I HA 0.368 4.537 4.170 -0.000 0.000 0.293 221 I C -0.522 175.507 176.117 -0.147 0.000 1.020 221 I CA -0.447 60.734 61.300 -0.198 0.000 1.088 221 I CB 2.277 40.157 38.000 -0.199 0.000 1.267 221 I HN 0.578 nan 8.210 nan 0.000 0.430 222 D N 6.621 126.957 120.400 -0.106 0.000 2.631 222 D HA 0.241 4.881 4.640 -0.000 0.000 0.227 222 D C -0.436 175.851 176.300 -0.023 0.000 1.146 222 D CA 0.178 54.140 54.000 -0.064 0.000 1.009 222 D CB 0.300 41.067 40.800 -0.056 0.000 1.057 222 D HN 0.242 nan 8.370 nan 0.000 0.509 223 K N 0.735 121.137 120.400 0.004 0.000 2.318 223 K HA 0.507 4.827 4.320 -0.000 0.000 0.265 223 K C -0.318 176.316 176.600 0.057 0.000 1.055 223 K CA -0.797 55.513 56.287 0.037 0.000 0.896 223 K CB 2.015 34.555 32.500 0.066 0.000 1.479 223 K HN 0.098 nan 8.250 nan 0.000 0.449 224 E N 0.241 120.479 120.200 0.064 0.000 2.404 224 E HA 0.351 4.701 4.350 -0.000 0.000 0.264 224 E C -0.908 175.731 176.600 0.066 0.000 0.946 224 E CA -1.078 55.359 56.400 0.062 0.000 0.806 224 E CB 1.963 31.690 29.700 0.045 0.000 1.334 224 E HN 0.068 nan 8.360 nan 0.000 0.429 225 V N 2.066 122.013 119.914 0.055 0.000 2.439 225 V HA -0.056 4.064 4.120 -0.000 0.000 0.271 225 V C 1.289 177.415 176.094 0.053 0.000 1.040 225 V CA 0.282 62.610 62.300 0.046 0.000 1.002 225 V CB 1.064 32.912 31.823 0.042 0.000 1.000 225 V HN 0.610 nan 8.190 nan 0.000 0.477 226 V N 4.767 124.715 119.914 0.057 0.000 2.660 226 V HA -0.151 3.969 4.120 -0.000 0.000 0.257 226 V C 0.895 177.035 176.094 0.077 0.000 1.088 226 V CA 1.854 64.191 62.300 0.062 0.000 1.106 226 V CB -0.506 31.357 31.823 0.066 0.000 0.686 226 V HN 0.933 nan 8.190 nan 0.000 0.481 227 H N -1.422 117.654 119.070 0.010 0.000 2.637 227 H HA 0.369 4.925 4.556 -0.000 0.000 0.363 227 H C -2.027 173.306 175.328 0.008 0.000 1.131 227 H CA -1.745 54.310 56.048 0.011 0.000 1.183 227 H CB 2.366 32.133 29.762 0.009 0.000 1.637 227 H HN -0.033 nan 8.280 nan 0.000 0.531 228 P HA -0.046 nan 4.420 nan 0.000 0.218 228 P C 0.793 178.207 177.300 0.189 0.000 1.148 228 P CA 1.159 64.337 63.100 0.131 0.000 0.822 228 P CB 0.403 32.130 31.700 0.044 0.000 0.784 229 R N -1.624 119.074 120.500 0.331 0.000 2.388 229 R HA 0.288 4.627 4.340 -0.000 0.000 0.247 229 R C 0.706 177.007 176.300 0.002 0.000 0.931 229 R CA 0.072 56.232 56.100 0.100 0.000 1.082 229 R CB -0.280 30.036 30.300 0.027 0.000 1.135 229 R HN 0.349 nan 8.270 nan 0.000 0.525 230 M N 1.273 120.896 119.600 0.039 0.000 2.283 230 M HA 0.285 4.765 4.480 -0.000 0.000 0.314 230 M C -2.149 174.155 176.300 0.007 0.000 1.153 230 M CA -1.858 53.438 55.300 -0.006 0.000 1.084 230 M CB 0.553 33.162 32.600 0.016 0.000 1.468 230 M HN -0.321 nan 8.290 nan 0.000 0.474 231 P HA 0.054 nan 4.420 nan 0.000 0.267 231 P C -0.339 176.965 177.300 0.006 0.000 1.205 231 P CA -0.025 63.074 63.100 -0.001 0.000 0.765 231 P CB 0.454 32.149 31.700 -0.009 0.000 0.828 232 K N 2.039 122.448 120.400 0.014 0.000 2.444 232 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 232 K C 0.681 177.294 176.600 0.023 0.000 1.024 232 K CA 0.447 56.748 56.287 0.023 0.000 1.077 232 K CB 0.295 32.810 32.500 0.026 0.000 0.833 232 K HN 0.437 nan 8.250 nan 0.000 0.517 233 R N -0.361 120.147 120.500 0.013 0.000 2.604 233 R HA 0.365 4.705 4.340 -0.000 0.000 0.270 233 R C -1.847 174.456 176.300 0.006 0.000 1.052 233 R CA -0.411 55.696 56.100 0.013 0.000 0.902 233 R CB 1.768 32.073 30.300 0.010 0.000 1.233 233 R HN -0.215 nan 8.270 nan 0.000 0.455 234 V N 4.060 123.978 119.914 0.007 0.000 2.623 234 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 234 V C 0.205 176.307 176.094 0.013 0.000 1.054 234 V CA -0.697 61.607 62.300 0.006 0.000 0.882 234 V CB 1.770 33.590 31.823 -0.005 0.000 1.002 234 V HN 0.848 nan 8.190 nan 0.000 0.424 235 E N 2.513 122.728 120.200 0.025 0.000 1.983 235 E HA 0.021 4.371 4.350 -0.000 0.000 0.202 235 E C 0.477 177.116 176.600 0.064 0.000 0.944 235 E CA 0.831 57.254 56.400 0.039 0.000 0.903 235 E CB -0.049 29.678 29.700 0.045 0.000 0.843 235 E HN 0.600 nan 8.360 nan 0.000 0.542 236 N N 1.624 120.396 118.700 0.120 0.000 2.868 236 N HA 0.256 4.996 4.740 -0.000 0.000 0.252 236 N C -0.752 174.893 175.510 0.225 0.000 1.130 236 N CA -0.012 53.197 53.050 0.266 0.000 1.026 236 N CB 0.731 39.401 38.487 0.305 0.000 1.335 236 N HN 0.119 nan 8.380 nan 0.000 0.516 237 A N 2.373 125.249 122.820 0.093 0.000 2.488 237 A HA 0.090 4.410 4.320 -0.000 0.000 0.249 237 A C 0.387 178.046 177.584 0.124 0.000 1.083 237 A CA 0.151 52.221 52.037 0.055 0.000 0.768 237 A CB 0.373 19.360 19.000 -0.023 0.000 1.017 237 A HN 0.418 nan 8.150 nan 0.000 0.496 238 K N 2.873 123.333 120.400 0.100 0.000 2.334 238 K HA 0.452 4.772 4.320 -0.000 0.000 0.265 238 K C -1.202 175.430 176.600 0.053 0.000 1.039 238 K CA 0.065 56.415 56.287 0.105 0.000 0.920 238 K CB 1.208 33.754 32.500 0.078 0.000 1.160 238 K HN 0.646 nan 8.250 nan 0.000 0.451 239 I N 2.280 122.890 120.570 0.065 0.000 2.353 239 I HA 0.289 4.459 4.170 -0.000 0.000 0.293 239 I C 0.051 176.207 176.117 0.065 0.000 0.992 239 I CA -0.551 60.782 61.300 0.056 0.000 1.268 239 I CB 1.691 39.760 38.000 0.115 0.000 1.387 239 I HN 0.528 nan 8.210 nan 0.000 0.478 240 A N 7.093 129.938 122.820 0.041 0.000 2.271 240 A HA 0.709 5.029 4.320 -0.000 0.000 0.317 240 A C -0.854 176.785 177.584 0.092 0.000 1.245 240 A CA -0.460 51.605 52.037 0.047 0.000 0.857 240 A CB 0.612 19.618 19.000 0.010 0.000 1.175 240 A HN 0.534 nan 8.150 nan 0.000 0.512 241 L N 4.600 125.879 121.223 0.094 0.000 2.314 241 L HA 0.345 4.685 4.340 -0.000 0.000 0.275 241 L C -0.550 176.360 176.870 0.066 0.000 1.068 241 L CA -0.042 54.863 54.840 0.108 0.000 0.894 241 L CB 0.550 42.658 42.059 0.082 0.000 1.275 241 L HN 0.502 nan 8.230 nan 0.000 0.432 242 I N 2.752 123.364 120.570 0.070 0.000 2.312 242 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 242 I C 0.433 176.574 176.117 0.039 0.000 1.008 242 I CA -0.346 60.979 61.300 0.041 0.000 1.226 242 I CB 1.268 39.287 38.000 0.031 0.000 1.371 242 I HN 0.435 nan 8.210 nan 0.000 0.468 243 N N 6.338 125.052 118.700 0.023 0.000 3.194 243 N HA 0.227 4.967 4.740 -0.000 0.000 0.271 243 N C -0.616 174.901 175.510 0.012 0.000 1.308 243 N CA -0.049 53.013 53.050 0.018 0.000 1.042 243 N CB 0.496 38.990 38.487 0.011 0.000 1.310 243 N HN 0.706 nan 8.380 nan 0.000 0.502 244 E N 0.319 120.528 120.200 0.015 0.000 2.375 244 E HA 0.558 4.908 4.350 -0.000 0.000 0.280 244 E C -1.561 175.049 176.600 0.018 0.000 0.972 244 E CA -0.961 55.445 56.400 0.010 0.000 0.782 244 E CB 1.309 31.010 29.700 0.001 0.000 1.229 244 E HN 0.300 nan 8.360 nan 0.000 0.439 245 A N 3.122 125.952 122.820 0.018 0.000 2.366 245 A HA 0.408 4.728 4.320 -0.000 0.000 0.272 245 A C -0.542 177.060 177.584 0.029 0.000 1.135 245 A CA -0.407 51.645 52.037 0.024 0.000 0.804 245 A CB 0.225 19.238 19.000 0.022 0.000 1.064 245 A HN 0.403 nan 8.150 nan 0.000 0.499 246 L N 3.875 125.121 121.223 0.037 0.000 2.423 246 L HA 0.264 4.604 4.340 -0.000 0.000 0.249 246 L C 0.475 177.379 176.870 0.056 0.000 1.276 246 L CA 0.664 55.532 54.840 0.047 0.000 1.199 246 L CB -1.300 40.791 42.059 0.054 0.000 1.407 246 L HN 0.846 nan 8.230 nan 0.000 0.410 247 E N -0.799 119.431 120.200 0.049 0.000 2.412 247 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 247 E C -0.814 175.814 176.600 0.047 0.000 0.984 247 E CA -1.124 55.307 56.400 0.051 0.000 0.788 247 E CB 1.455 31.179 29.700 0.041 0.000 1.277 247 E HN -0.202 nan 8.360 nan 0.000 0.455 248 V N 2.494 122.438 119.914 0.050 0.000 2.596 248 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 248 V C 0.576 176.692 176.094 0.035 0.000 0.968 248 V CA 0.695 63.023 62.300 0.047 0.000 1.172 248 V CB -1.782 30.070 31.823 0.048 0.000 1.014 248 V HN 0.503 nan 8.190 nan 0.000 0.468 249 K N 4.267 124.687 120.400 0.033 0.000 2.455 249 K HA 0.187 4.506 4.320 -0.000 0.000 0.269 249 K C 0.029 176.643 176.600 0.023 0.000 0.972 249 K CA 0.319 56.620 56.287 0.024 0.000 0.938 249 K CB 0.482 32.994 32.500 0.021 0.000 0.931 249 K HN 0.592 nan 8.250 nan 0.000 0.507 250 K N 0.527 120.936 120.400 0.016 0.000 2.443 250 K HA 0.226 4.546 4.320 -0.000 0.000 0.251 250 K C -0.782 175.824 176.600 0.011 0.000 0.972 250 K CA -0.822 55.472 56.287 0.013 0.000 0.833 250 K CB 1.996 34.500 32.500 0.007 0.000 1.317 250 K HN 0.619 nan 8.250 nan 0.000 0.441 251 T N -0.762 113.798 114.554 0.010 0.000 2.913 251 T HA 0.074 4.423 4.350 -0.000 0.000 0.297 251 T C 1.014 175.718 174.700 0.005 0.000 1.029 251 T CA -0.518 61.587 62.100 0.009 0.000 1.104 251 T CB 1.203 70.077 68.868 0.010 0.000 0.964 251 T HN 0.573 nan 8.240 nan 0.000 0.532 252 E N 1.164 121.366 120.200 0.005 0.000 2.153 252 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 252 E C 0.618 177.220 176.600 0.002 0.000 0.988 252 E CA 0.851 57.253 56.400 0.003 0.000 0.811 252 E CB -0.205 29.497 29.700 0.003 0.000 0.746 252 E HN 0.735 nan 8.360 nan 0.000 0.466 253 T N 1.704 116.260 114.554 0.003 0.000 2.814 253 T HA 0.010 4.360 4.350 -0.000 0.000 0.297 253 T C -0.404 174.296 174.700 0.001 0.000 0.956 253 T CA -0.472 61.629 62.100 0.002 0.000 1.123 253 T CB 0.650 69.520 68.868 0.004 0.000 0.902 253 T HN 0.051 nan 8.240 nan 0.000 0.528 254 D N 2.364 122.763 120.400 -0.001 0.000 2.583 254 D HA 0.253 4.893 4.640 -0.000 0.000 0.232 254 D C -0.353 175.944 176.300 -0.005 0.000 1.128 254 D CA 0.499 54.497 54.000 -0.004 0.000 0.859 254 D CB 0.283 41.080 40.800 -0.005 0.000 1.169 254 D HN 0.706 nan 8.370 nan 0.000 0.481 255 A N 3.477 126.292 122.820 -0.009 0.000 2.549 255 A HA 0.656 4.975 4.320 -0.000 0.000 0.297 255 A C -0.918 176.650 177.584 -0.026 0.000 1.061 255 A CA -0.824 51.205 52.037 -0.012 0.000 0.690 255 A CB 1.664 20.661 19.000 -0.006 0.000 1.287 255 A HN 0.504 nan 8.150 nan 0.000 0.402 256 K N 1.959 122.338 120.400 -0.036 0.000 2.523 256 K HA 0.614 4.934 4.320 -0.000 0.000 0.257 256 K C -1.559 174.988 176.600 -0.087 0.000 0.932 256 K CA -0.639 55.611 56.287 -0.061 0.000 0.812 256 K CB 1.518 33.989 32.500 -0.049 0.000 1.326 256 K HN 0.692 nan 8.250 nan 0.000 0.433 257 I N 3.267 123.742 120.570 -0.157 0.000 2.441 257 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 257 I C -0.257 175.755 176.117 -0.175 0.000 1.049 257 I CA -0.690 60.460 61.300 -0.250 0.000 1.381 257 I CB 0.823 38.482 38.000 -0.569 0.000 1.409 257 I HN 0.407 nan 8.210 nan 0.000 0.523 258 N N 7.418 126.058 118.700 -0.100 0.000 2.817 258 N HA 0.311 5.051 4.740 -0.000 0.000 0.234 258 N C -0.618 174.896 175.510 0.008 0.000 1.066 258 N CA -0.542 52.486 53.050 -0.036 0.000 0.926 258 N CB 0.899 39.385 38.487 -0.000 0.000 1.176 258 N HN 0.379 nan 8.380 nan 0.000 0.506 259 I N 1.456 122.019 120.570 -0.012 0.000 2.587 259 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 259 I C 1.842 177.995 176.117 0.059 0.000 1.134 259 I CA 0.536 61.874 61.300 0.064 0.000 1.410 259 I CB 0.504 38.529 38.000 0.041 0.000 1.392 259 I HN 0.468 nan 8.210 nan 0.000 0.545 260 T N 0.172 114.775 114.554 0.081 0.000 2.985 260 T HA 0.279 4.629 4.350 -0.000 0.000 0.254 260 T C 0.376 175.104 174.700 0.047 0.000 1.021 260 T CA 0.288 62.420 62.100 0.054 0.000 0.957 260 T CB 0.027 68.925 68.868 0.051 0.000 1.047 260 T HN 0.540 nan 8.240 nan 0.000 0.511 261 S N 0.318 116.053 115.700 0.059 0.000 2.541 261 S HA 0.578 5.048 4.470 -0.000 0.000 0.271 261 S C -2.714 171.916 174.600 0.050 0.000 1.133 261 S CA -1.258 56.968 58.200 0.043 0.000 0.876 261 S CB 1.947 65.167 63.200 0.033 0.000 1.105 261 S HN -0.187 nan 8.310 nan 0.000 0.470 262 P HA -0.239 nan 4.420 nan 0.000 0.217 262 P C 0.972 178.296 177.300 0.041 0.000 1.158 262 P CA 2.198 65.320 63.100 0.037 0.000 0.887 262 P CB -0.285 31.429 31.700 0.024 0.000 0.792 263 D N -0.976 119.441 120.400 0.028 0.000 2.311 263 D HA -0.220 4.419 4.640 -0.000 0.000 0.212 263 D C 1.622 177.937 176.300 0.024 0.000 0.972 263 D CA 1.023 55.033 54.000 0.017 0.000 0.887 263 D CB -0.903 39.897 40.800 -0.000 0.000 0.915 263 D HN 0.308 nan 8.370 nan 0.000 0.497 264 Q N -0.085 119.752 119.800 0.061 0.000 2.230 264 Q HA 0.008 4.348 4.340 -0.000 0.000 0.202 264 Q C 2.334 178.476 176.000 0.238 0.000 0.963 264 Q CA 0.493 56.372 55.803 0.126 0.000 0.866 264 Q CB -0.028 28.853 28.738 0.239 0.000 0.931 264 Q HN 0.457 nan 8.270 nan 0.000 0.452 265 L N -0.053 121.264 121.223 0.158 0.000 2.012 265 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 265 L C 2.472 179.421 176.870 0.130 0.000 1.073 265 L CA 0.928 55.852 54.840 0.141 0.000 0.748 265 L CB -0.401 41.704 42.059 0.077 0.000 0.891 265 L HN 0.325 nan 8.230 nan 0.000 0.431 266 M N -0.207 119.441 119.600 0.080 0.000 2.077 266 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 266 M C 2.784 179.110 176.300 0.045 0.000 1.070 266 M CA 2.134 57.467 55.300 0.054 0.000 1.125 266 M CB -1.312 31.305 32.600 0.027 0.000 1.339 266 M HN 0.403 nan 8.290 nan 0.000 0.409 267 S N 0.035 115.734 115.700 -0.002 0.000 2.387 267 S HA -0.174 4.296 4.470 -0.000 0.000 0.230 267 S C 2.008 176.544 174.600 -0.107 0.000 1.035 267 S CA 1.329 59.473 58.200 -0.092 0.000 1.014 267 S CB -1.096 61.981 63.200 -0.205 0.000 0.836 267 S HN 0.395 nan 8.310 nan 0.000 0.466 268 F N 0.846 120.804 119.950 0.014 0.000 2.163 268 F HA 0.152 4.679 4.527 -0.000 0.000 0.297 268 F C 2.166 177.978 175.800 0.020 0.000 1.094 268 F CA 0.447 58.457 58.000 0.016 0.000 1.290 268 F CB -0.321 38.687 39.000 0.013 0.000 1.017 268 F HN 0.176 nan 8.300 nan 0.000 0.483 269 L N 0.418 121.767 121.223 0.210 0.000 2.042 269 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 269 L C 2.168 179.100 176.870 0.103 0.000 1.076 269 L CA 1.798 56.715 54.840 0.128 0.000 0.749 269 L CB -0.965 41.147 42.059 0.088 0.000 0.893 269 L HN 0.165 nan 8.230 nan 0.000 0.432 270 E N -1.264 118.983 120.200 0.079 0.000 2.110 270 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 270 E C 2.111 178.749 176.600 0.063 0.000 0.988 270 E CA 0.981 57.418 56.400 0.062 0.000 0.804 270 E CB -0.184 29.535 29.700 0.031 0.000 0.745 270 E HN 0.369 nan 8.360 nan 0.000 0.458 271 Q N 1.368 121.204 119.800 0.059 0.000 2.226 271 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 271 Q C 1.482 177.533 176.000 0.086 0.000 0.975 271 Q CA 1.483 57.320 55.803 0.057 0.000 0.866 271 Q CB 0.091 28.859 28.738 0.051 0.000 0.915 271 Q HN 0.343 nan 8.270 nan 0.000 0.440 272 E N -0.319 119.947 120.200 0.109 0.000 2.086 272 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 272 E C 1.866 178.531 176.600 0.110 0.000 0.975 272 E CA 0.759 57.221 56.400 0.104 0.000 0.813 272 E CB 0.004 29.765 29.700 0.103 0.000 0.768 272 E HN 0.511 nan 8.360 nan 0.000 0.457 273 E N 1.423 121.696 120.200 0.122 0.000 2.070 273 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 273 E C 2.099 178.796 176.600 0.161 0.000 1.004 273 E CA 1.046 57.554 56.400 0.180 0.000 0.805 273 E CB -0.132 29.679 29.700 0.184 0.000 0.744 273 E HN 0.095 nan 8.360 nan 0.000 0.451 274 K N 0.747 121.202 120.400 0.092 0.000 2.032 274 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 274 K C 2.260 178.876 176.600 0.026 0.000 1.048 274 K CA 1.443 57.751 56.287 0.035 0.000 0.927 274 K CB -0.063 32.452 32.500 0.025 0.000 0.712 274 K HN 0.074 nan 8.250 nan 0.000 0.441 275 M N 0.382 120.013 119.600 0.052 0.000 2.108 275 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 275 M C 2.191 178.524 176.300 0.056 0.000 1.066 275 M CA 1.208 56.539 55.300 0.051 0.000 1.107 275 M CB -0.309 32.328 32.600 0.061 0.000 1.356 275 M HN 0.141 nan 8.290 nan 0.000 0.406 276 L N 0.541 121.817 121.223 0.088 0.000 1.994 276 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 276 L C 2.446 179.367 176.870 0.084 0.000 1.071 276 L CA 1.917 56.831 54.840 0.123 0.000 0.745 276 L CB -0.817 41.364 42.059 0.202 0.000 0.892 276 L HN 0.239 nan 8.230 nan 0.000 0.431 277 K N -0.853 119.539 120.400 -0.012 0.000 2.097 277 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 277 K C 1.662 178.136 176.600 -0.211 0.000 1.049 277 K CA 1.497 57.564 56.287 -0.366 0.000 0.933 277 K CB -0.081 31.965 32.500 -0.757 0.000 0.717 277 K HN 0.290 nan 8.250 nan 0.000 0.442 278 D N 0.540 120.883 120.400 -0.096 0.000 2.221 278 D HA -0.171 4.469 4.640 -0.000 0.000 0.204 278 D C 1.827 178.136 176.300 0.016 0.000 0.982 278 D CA 1.243 55.212 54.000 -0.051 0.000 0.857 278 D CB 0.032 40.837 40.800 0.008 0.000 0.934 278 D HN 0.385 nan 8.370 nan 0.000 0.475 279 M N -0.282 119.337 119.600 0.031 0.000 2.160 279 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 279 M C 2.355 178.658 176.300 0.004 0.000 1.073 279 M CA 0.643 55.981 55.300 0.063 0.000 1.142 279 M CB -0.081 32.547 32.600 0.046 0.000 1.358 279 M HN -0.156 nan 8.290 nan 0.000 0.422 280 V N 0.888 120.769 119.914 -0.055 0.000 2.469 280 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 280 V C 1.675 177.580 176.094 -0.314 0.000 1.064 280 V CA 1.795 64.008 62.300 -0.144 0.000 1.066 280 V CB -0.852 30.919 31.823 -0.086 0.000 0.667 280 V HN 0.397 nan 8.190 nan 0.000 0.461 281 D N -1.103 119.130 120.400 -0.277 0.000 2.084 281 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 281 D C 2.156 178.327 176.300 -0.215 0.000 0.985 281 D CA 1.170 54.989 54.000 -0.302 0.000 0.826 281 D CB -0.451 40.215 40.800 -0.224 0.000 0.978 281 D HN 0.431 nan 8.370 nan 0.000 0.456 282 H N 0.003 118.995 119.070 -0.129 0.000 2.492 282 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 282 H C 2.093 177.366 175.328 -0.092 0.000 1.095 282 H CA 0.714 56.709 56.048 -0.088 0.000 1.281 282 H CB 0.147 29.872 29.762 -0.061 0.000 1.374 282 H HN 0.258 nan 8.280 nan 0.000 0.545 283 I N -0.701 119.858 120.570 -0.019 0.000 2.556 283 I HA -0.066 4.103 4.170 -0.000 0.000 0.251 283 I C 2.689 178.744 176.117 -0.103 0.000 1.105 283 I CA 0.660 61.927 61.300 -0.054 0.000 1.436 283 I CB -0.184 37.773 38.000 -0.073 0.000 1.139 283 I HN 0.063 nan 8.210 nan 0.000 0.438 284 A N 0.477 123.166 122.820 -0.218 0.000 1.940 284 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 284 A C 2.134 179.667 177.584 -0.086 0.000 1.176 284 A CA 1.522 53.431 52.037 -0.213 0.000 0.631 284 A CB -0.639 18.055 19.000 -0.509 0.000 0.814 284 A HN 0.489 nan 8.150 nan 0.000 0.446 285 Q N -0.470 119.280 119.800 -0.083 0.000 2.437 285 Q HA -0.082 4.258 4.340 -0.000 0.000 0.210 285 Q C 1.568 177.561 176.000 -0.012 0.000 0.972 285 Q CA 1.436 57.216 55.803 -0.038 0.000 0.903 285 Q CB -0.247 28.457 28.738 -0.056 0.000 0.967 285 Q HN 0.870 nan 8.270 nan 0.000 0.486 286 T N -4.273 110.275 114.554 -0.009 0.000 3.081 286 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 286 T C 1.368 176.072 174.700 0.007 0.000 1.100 286 T CA 0.351 62.454 62.100 0.006 0.000 1.038 286 T CB 0.712 69.587 68.868 0.011 0.000 0.962 286 T HN 0.371 nan 8.240 nan 0.000 0.516 287 G N 1.456 110.258 108.800 0.002 0.000 2.175 287 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.244 287 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.244 287 G C 0.294 175.202 174.900 0.012 0.000 0.982 287 G CA -0.251 44.856 45.100 0.011 0.000 0.641 287 G HN 1.104 nan 8.290 nan 0.000 0.527 288 A N 0.371 123.191 122.820 0.001 0.000 2.524 288 A HA 0.540 4.860 4.320 -0.000 0.000 0.250 288 A C 1.073 178.649 177.584 -0.013 0.000 1.078 288 A CA 1.024 53.059 52.037 -0.003 0.000 0.761 288 A CB 0.046 19.038 19.000 -0.014 0.000 1.012 288 A HN 1.072 nan 8.150 nan 0.000 0.500 289 N N 0.998 119.693 118.700 -0.009 0.000 2.184 289 N HA 0.230 4.970 4.740 -0.000 0.000 0.206 289 N C -0.659 174.820 175.510 -0.052 0.000 1.151 289 N CA 0.013 53.054 53.050 -0.015 0.000 0.878 289 N CB 0.758 39.248 38.487 0.006 0.000 1.014 289 N HN 0.235 nan 8.380 nan 0.000 0.512 290 V N 1.086 120.951 119.914 -0.082 0.000 2.524 290 V HA 0.437 4.557 4.120 -0.000 0.000 0.297 290 V C -1.138 174.819 176.094 -0.228 0.000 1.035 290 V CA -0.841 61.352 62.300 -0.178 0.000 0.867 290 V CB 2.185 33.905 31.823 -0.172 0.000 1.004 290 V HN -0.027 nan 8.190 nan 0.000 0.426 291 V N 5.034 124.767 119.914 -0.300 0.000 2.487 291 V HA 0.566 4.686 4.120 -0.000 0.000 0.298 291 V C -0.785 175.104 176.094 -0.341 0.000 1.028 291 V CA -0.633 61.527 62.300 -0.232 0.000 0.860 291 V CB 1.796 33.555 31.823 -0.107 0.000 0.991 291 V HN 0.672 nan 8.190 nan 0.000 0.427 292 F N 3.229 123.182 119.950 0.004 0.000 2.375 292 F HA 0.586 5.113 4.527 -0.000 0.000 0.361 292 F C 0.004 175.804 175.800 0.001 0.000 1.117 292 F CA -0.864 57.137 58.000 0.001 0.000 1.037 292 F CB 1.933 40.930 39.000 -0.006 0.000 1.192 292 F HN 0.267 nan 8.300 nan 0.000 0.452 293 V N 4.351 124.373 119.914 0.181 0.000 2.370 293 V HA 0.151 4.271 4.120 -0.000 0.000 0.283 293 V C 0.726 176.875 176.094 0.091 0.000 1.023 293 V CA -0.512 61.851 62.300 0.105 0.000 0.857 293 V CB 1.433 33.296 31.823 0.067 0.000 0.985 293 V HN 0.840 nan 8.190 nan 0.000 0.443 294 Q N 3.480 123.318 119.800 0.063 0.000 2.084 294 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 294 Q C 1.192 177.211 176.000 0.032 0.000 0.978 294 Q CA 1.305 57.131 55.803 0.039 0.000 0.844 294 Q CB 0.290 29.042 28.738 0.023 0.000 0.898 294 Q HN 0.653 nan 8.270 nan 0.000 0.426 295 K N -0.476 119.943 120.400 0.032 0.000 2.836 295 K HA 0.334 4.654 4.320 -0.000 0.000 0.300 295 K C 0.395 177.015 176.600 0.033 0.000 1.004 295 K CA 0.136 56.439 56.287 0.027 0.000 1.140 295 K CB -0.591 31.922 32.500 0.022 0.000 1.458 295 K HN 0.174 nan 8.250 nan 0.000 0.550 296 G N -0.006 108.812 108.800 0.030 0.000 2.557 296 G HA2 0.586 4.546 3.960 -0.000 0.000 0.292 296 G HA3 0.586 4.546 3.960 -0.000 0.000 0.292 296 G C -0.583 174.341 174.900 0.040 0.000 1.237 296 G CA -0.619 44.501 45.100 0.033 0.000 0.978 296 G HN 0.324 nan 8.290 nan 0.000 0.498 297 I N 0.244 120.841 120.570 0.044 0.000 2.500 297 I HA 0.137 4.307 4.170 -0.000 0.000 0.286 297 I C -0.880 175.272 176.117 0.058 0.000 1.063 297 I CA -0.624 60.708 61.300 0.054 0.000 1.062 297 I CB 2.163 40.199 38.000 0.060 0.000 1.223 297 I HN 0.410 nan 8.210 nan 0.000 0.435 298 D N 3.935 124.373 120.400 0.063 0.000 2.390 298 D HA -0.051 4.588 4.640 -0.000 0.000 0.236 298 D C 0.958 177.301 176.300 0.072 0.000 1.189 298 D CA 0.531 54.569 54.000 0.063 0.000 0.887 298 D CB 0.943 41.786 40.800 0.073 0.000 1.198 298 D HN 0.439 nan 8.370 nan 0.000 0.444 299 D N 0.865 121.299 120.400 0.055 0.000 2.144 299 D HA -0.109 4.530 4.640 -0.000 0.000 0.200 299 D C 2.032 178.377 176.300 0.076 0.000 0.978 299 D CA 0.702 54.738 54.000 0.059 0.000 0.833 299 D CB 0.090 40.905 40.800 0.024 0.000 0.961 299 D HN 0.354 nan 8.370 nan 0.000 0.470 300 L N 0.780 122.031 121.223 0.047 0.000 2.023 300 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 300 L C 2.587 179.498 176.870 0.068 0.000 1.073 300 L CA 0.924 55.758 54.840 -0.010 0.000 0.745 300 L CB -0.437 41.633 42.059 0.019 0.000 0.900 300 L HN -0.038 nan 8.230 nan 0.000 0.435 301 A N -0.582 122.345 122.820 0.178 0.000 1.997 301 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 301 A C 2.143 179.840 177.584 0.188 0.000 1.172 301 A CA 1.870 54.050 52.037 0.239 0.000 0.645 301 A CB -0.486 18.608 19.000 0.157 0.000 0.813 301 A HN 0.535 nan 8.150 nan 0.000 0.454 302 Q N -1.913 117.980 119.800 0.155 0.000 2.049 302 Q HA -0.163 4.177 4.340 -0.000 0.000 0.198 302 Q C 2.188 178.254 176.000 0.109 0.000 0.971 302 Q CA 1.250 57.161 55.803 0.181 0.000 0.833 302 Q CB -0.302 28.604 28.738 0.280 0.000 0.896 302 Q HN 0.924 nan 8.270 nan 0.000 0.434 303 H N -0.467 118.592 119.070 -0.019 0.000 2.421 303 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 303 H C 1.263 176.480 175.328 -0.184 0.000 1.087 303 H CA 1.393 57.325 56.048 -0.194 0.000 1.330 303 H CB 0.228 29.860 29.762 -0.218 0.000 1.388 303 H HN 0.274 nan 8.280 nan 0.000 0.526 304 Y N 0.633 120.990 120.300 0.096 0.000 2.153 304 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 304 Y C 2.993 179.000 175.900 0.179 0.000 1.127 304 Y CA 0.693 58.889 58.100 0.160 0.000 1.131 304 Y CB -0.780 37.823 38.460 0.239 0.000 0.995 304 Y HN 0.061 nan 8.280 nan 0.000 0.505 305 L N -0.594 120.764 121.223 0.224 0.000 2.081 305 L HA -0.315 4.025 4.340 -0.000 0.000 0.212 305 L C 2.572 179.468 176.870 0.042 0.000 1.080 305 L CA 1.280 56.180 54.840 0.101 0.000 0.754 305 L CB -0.782 41.299 42.059 0.037 0.000 0.893 305 L HN 0.256 nan 8.230 nan 0.000 0.433 306 A N -0.236 122.518 122.820 -0.109 0.000 1.855 306 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 306 A C 2.334 179.809 177.584 -0.181 0.000 1.191 306 A CA 1.653 53.540 52.037 -0.249 0.000 0.613 306 A CB -0.379 18.236 19.000 -0.640 0.000 0.829 306 A HN 0.272 nan 8.150 nan 0.000 0.442 307 K N -1.580 118.687 120.400 -0.222 0.000 2.211 307 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 307 K C 0.956 177.473 176.600 -0.138 0.000 1.047 307 K CA 1.404 57.562 56.287 -0.214 0.000 0.935 307 K CB -0.255 32.076 32.500 -0.281 0.000 0.728 307 K HN 0.646 nan 8.250 nan 0.000 0.452 308 Y N -0.009 120.250 120.300 -0.067 0.000 2.462 308 Y HA 0.114 4.664 4.550 -0.000 0.000 0.293 308 Y C 1.310 177.181 175.900 -0.048 0.000 1.195 308 Y CA 0.368 58.444 58.100 -0.041 0.000 1.276 308 Y CB 0.235 38.682 38.460 -0.022 0.000 1.082 308 Y HN 0.186 nan 8.280 nan 0.000 0.514 309 G N 0.889 109.721 108.800 0.053 0.000 2.203 309 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 309 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 309 G C 0.166 175.076 174.900 0.017 0.000 1.012 309 G CA 0.304 45.412 45.100 0.014 0.000 0.749 309 G HN 0.391 nan 8.290 nan 0.000 0.512 310 I N -0.097 120.489 120.570 0.026 0.000 2.499 310 I HA 0.460 4.630 4.170 -0.000 0.000 0.296 310 I C 0.765 176.860 176.117 -0.038 0.000 0.992 310 I CA -0.640 60.655 61.300 -0.009 0.000 1.297 310 I CB 1.616 39.606 38.000 -0.016 0.000 1.410 310 I HN 0.176 nan 8.210 nan 0.000 0.507 311 M N 5.351 124.910 119.600 -0.069 0.000 2.101 311 M HA 0.623 5.103 4.480 -0.000 0.000 0.340 311 M C -0.946 175.264 176.300 -0.150 0.000 1.057 311 M CA -0.320 54.927 55.300 -0.089 0.000 0.984 311 M CB 1.026 33.567 32.600 -0.097 0.000 1.560 311 M HN 0.743 nan 8.290 nan 0.000 0.435 312 A N 4.665 127.423 122.820 -0.102 0.000 2.380 312 A HA 0.878 5.198 4.320 -0.000 0.000 0.315 312 A C -1.421 176.123 177.584 -0.066 0.000 1.101 312 A CA -0.637 51.332 52.037 -0.113 0.000 0.771 312 A CB 1.731 20.707 19.000 -0.041 0.000 1.287 312 A HN 0.634 nan 8.150 nan 0.000 0.436 313 V N 1.813 121.697 119.914 -0.050 0.000 2.760 313 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 313 V C -0.042 176.120 176.094 0.113 0.000 1.077 313 V CA -0.805 61.539 62.300 0.073 0.000 0.910 313 V CB 1.667 33.622 31.823 0.220 0.000 1.008 313 V HN 1.166 nan 8.190 nan 0.000 0.424 314 R N 2.179 122.735 120.500 0.093 0.000 2.893 314 R HA 0.842 5.182 4.340 -0.000 0.000 0.245 314 R C -0.409 175.934 176.300 0.071 0.000 1.192 314 R CA -1.091 55.057 56.100 0.079 0.000 1.077 314 R CB 0.546 30.879 30.300 0.056 0.000 1.253 314 R HN 0.346 nan 8.270 nan 0.000 0.505 315 R N -0.582 119.949 120.500 0.053 0.000 3.158 315 R HA -0.117 4.223 4.340 -0.000 0.000 0.244 315 R C -1.081 175.238 176.300 0.033 0.000 0.900 315 R CA 0.560 56.681 56.100 0.036 0.000 0.618 315 R CB -1.895 28.420 30.300 0.026 0.000 1.061 315 R HN 0.411 nan 8.270 nan 0.000 0.471 316 V N 1.626 121.563 119.914 0.039 0.000 2.432 316 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 316 V C 1.003 177.086 176.094 -0.019 0.000 1.043 316 V CA -0.637 61.669 62.300 0.010 0.000 0.925 316 V CB 1.596 33.431 31.823 0.020 0.000 0.985 316 V HN 0.288 nan 8.190 nan 0.000 0.466 317 K N 3.862 124.240 120.400 -0.037 0.000 2.491 317 K HA -0.069 4.251 4.320 -0.000 0.000 0.279 317 K C 1.369 177.942 176.600 -0.045 0.000 1.026 317 K CA 0.171 56.435 56.287 -0.038 0.000 1.070 317 K CB 0.478 32.951 32.500 -0.046 0.000 0.887 317 K HN 0.628 nan 8.250 nan 0.000 0.481 318 K N 2.384 122.766 120.400 -0.030 0.000 2.127 318 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 318 K C 1.750 178.326 176.600 -0.041 0.000 1.047 318 K CA 2.288 58.558 56.287 -0.029 0.000 0.927 318 K CB -0.021 32.467 32.500 -0.019 0.000 0.716 318 K HN 0.670 nan 8.250 nan 0.000 0.450 319 S N -0.061 115.613 115.700 -0.043 0.000 2.406 319 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 319 S C 1.480 176.036 174.600 -0.074 0.000 1.020 319 S CA 1.241 59.411 58.200 -0.049 0.000 0.965 319 S CB -0.134 63.041 63.200 -0.041 0.000 0.798 319 S HN 0.311 nan 8.310 nan 0.000 0.488 320 D N 1.162 121.507 120.400 -0.092 0.000 2.149 320 D HA 0.095 4.735 4.640 -0.000 0.000 0.201 320 D C 2.000 178.198 176.300 -0.169 0.000 0.972 320 D CA 0.833 54.748 54.000 -0.142 0.000 0.835 320 D CB -0.205 40.497 40.800 -0.164 0.000 0.966 320 D HN 0.282 nan 8.370 nan 0.000 0.476 321 M N 0.432 119.956 119.600 -0.126 0.000 2.117 321 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 321 M C 1.896 178.146 176.300 -0.083 0.000 1.065 321 M CA 1.281 56.518 55.300 -0.105 0.000 1.114 321 M CB -0.890 31.680 32.600 -0.050 0.000 1.361 321 M HN 0.098 nan 8.290 nan 0.000 0.408 322 E N 0.026 120.186 120.200 -0.067 0.000 2.150 322 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 322 E C 2.024 178.586 176.600 -0.063 0.000 0.985 322 E CA 0.893 57.262 56.400 -0.052 0.000 0.814 322 E CB -0.035 29.641 29.700 -0.041 0.000 0.752 322 E HN 0.513 nan 8.360 nan 0.000 0.466 323 K N 0.437 120.785 120.400 -0.087 0.000 2.103 323 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 323 K C 2.089 178.629 176.600 -0.101 0.000 1.052 323 K CA 0.665 56.896 56.287 -0.094 0.000 0.945 323 K CB 0.027 32.458 32.500 -0.115 0.000 0.722 323 K HN 0.116 nan 8.250 nan 0.000 0.443 324 L N 0.438 121.582 121.223 -0.132 0.000 2.217 324 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 324 L C 2.446 179.285 176.870 -0.053 0.000 1.107 324 L CA 0.615 55.379 54.840 -0.126 0.000 0.783 324 L CB -0.394 41.533 42.059 -0.220 0.000 0.919 324 L HN 0.173 nan 8.230 nan 0.000 0.442 325 A N -0.017 122.777 122.820 -0.044 0.000 1.929 325 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 325 A C 2.305 179.881 177.584 -0.013 0.000 1.176 325 A CA 1.321 53.349 52.037 -0.016 0.000 0.628 325 A CB -0.151 18.840 19.000 -0.016 0.000 0.816 325 A HN 0.288 nan 8.150 nan 0.000 0.444 326 K N -0.712 119.673 120.400 -0.025 0.000 2.262 326 K HA 0.199 4.518 4.320 -0.000 0.000 0.200 326 K C 2.138 178.728 176.600 -0.018 0.000 1.049 326 K CA 0.721 56.996 56.287 -0.020 0.000 0.979 326 K CB -0.056 32.427 32.500 -0.027 0.000 0.773 326 K HN 0.400 nan 8.250 nan 0.000 0.474 327 A N 1.056 123.859 122.820 -0.028 0.000 1.930 327 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 327 A C 2.070 179.649 177.584 -0.008 0.000 1.176 327 A CA 1.741 53.762 52.037 -0.026 0.000 0.632 327 A CB -0.413 18.559 19.000 -0.048 0.000 0.819 327 A HN 0.366 nan 8.150 nan 0.000 0.445 328 T N -5.307 109.249 114.554 0.002 0.000 3.023 328 T HA 0.417 4.767 4.350 -0.000 0.000 0.253 328 T C 1.324 176.056 174.700 0.052 0.000 1.038 328 T CA 1.096 63.211 62.100 0.024 0.000 0.962 328 T CB 0.278 69.166 68.868 0.033 0.000 1.018 328 T HN 1.646 nan 8.240 nan 0.000 0.521 329 G N 1.401 110.223 108.800 0.037 0.000 2.155 329 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.257 329 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.257 329 G C 0.337 175.262 174.900 0.043 0.000 0.983 329 G CA 0.035 45.158 45.100 0.040 0.000 0.676 329 G HN 1.180 nan 8.290 nan 0.000 0.528 330 A N -0.547 122.300 122.820 0.045 0.000 2.287 330 A HA 0.746 5.066 4.320 -0.000 0.000 0.273 330 A C 0.514 178.117 177.584 0.032 0.000 1.091 330 A CA 0.120 52.186 52.037 0.048 0.000 0.817 330 A CB 0.611 19.650 19.000 0.065 0.000 1.069 330 A HN 0.406 nan 8.150 nan 0.000 0.492 331 K N 0.449 120.867 120.400 0.030 0.000 2.207 331 K HA 0.544 4.864 4.320 -0.000 0.000 0.255 331 K C -1.132 175.481 176.600 0.021 0.000 0.941 331 K CA -0.324 55.975 56.287 0.020 0.000 0.825 331 K CB 1.979 34.488 32.500 0.015 0.000 1.119 331 K HN 0.596 nan 8.250 nan 0.000 0.430 332 I N 2.585 123.163 120.570 0.014 0.000 2.474 332 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 332 I C -0.370 175.752 176.117 0.009 0.000 1.048 332 I CA -0.651 60.658 61.300 0.015 0.000 1.383 332 I CB 1.150 39.154 38.000 0.008 0.000 1.412 332 I HN 0.168 nan 8.210 nan 0.000 0.531 333 V N 4.952 124.871 119.914 0.009 0.000 2.735 333 V HA 0.253 4.373 4.120 -0.000 0.000 0.310 333 V C 0.486 176.578 176.094 -0.004 0.000 1.061 333 V CA -0.496 61.804 62.300 -0.001 0.000 0.913 333 V CB 1.659 33.479 31.823 -0.005 0.000 1.005 333 V HN 0.798 nan 8.190 nan 0.000 0.428 334 T N 1.985 116.533 114.554 -0.011 0.000 3.044 334 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 334 T C 0.610 175.297 174.700 -0.021 0.000 1.073 334 T CA 0.820 62.913 62.100 -0.012 0.000 1.125 334 T CB -0.170 68.691 68.868 -0.011 0.000 0.908 334 T HN 0.611 nan 8.240 nan 0.000 0.480 335 N N 1.261 119.939 118.700 -0.035 0.000 2.448 335 N HA 0.230 4.970 4.740 -0.000 0.000 0.279 335 N C 0.995 176.451 175.510 -0.090 0.000 1.025 335 N CA -0.420 52.594 53.050 -0.060 0.000 0.898 335 N CB 1.693 40.141 38.487 -0.065 0.000 1.303 335 N HN -0.079 nan 8.380 nan 0.000 0.495 336 V N 1.963 121.819 119.914 -0.098 0.000 2.568 336 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 336 V C 1.823 177.746 176.094 -0.286 0.000 1.072 336 V CA 1.441 63.671 62.300 -0.117 0.000 1.084 336 V CB -0.704 31.082 31.823 -0.061 0.000 0.676 336 V HN 0.569 nan 8.190 nan 0.000 0.469 337 K N 0.535 120.659 120.400 -0.461 0.000 2.152 337 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 337 K C 1.151 177.517 176.600 -0.389 0.000 1.048 337 K CA 1.873 57.657 56.287 -0.839 0.000 0.933 337 K CB -0.234 31.974 32.500 -0.487 0.000 0.721 337 K HN 0.501 nan 8.250 nan 0.000 0.447 338 D N 0.213 120.498 120.400 -0.192 0.000 2.460 338 D HA 0.045 4.685 4.640 -0.000 0.000 0.229 338 D C -0.961 175.311 176.300 -0.046 0.000 1.170 338 D CA -0.086 53.863 54.000 -0.085 0.000 0.827 338 D CB 0.188 40.952 40.800 -0.060 0.000 0.973 338 D HN -0.050 nan 8.370 nan 0.000 0.496 339 L N 1.817 123.013 121.223 -0.044 0.000 2.325 339 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 339 L C 0.431 177.312 176.870 0.019 0.000 1.089 339 L CA -0.026 54.810 54.840 -0.007 0.000 0.836 339 L CB 0.106 42.164 42.059 -0.001 0.000 1.184 339 L HN 0.003 nan 8.230 nan 0.000 0.444 340 T N 2.127 116.689 114.554 0.014 0.000 2.944 340 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 340 T C -2.067 172.644 174.700 0.018 0.000 1.010 340 T CA -1.904 60.206 62.100 0.018 0.000 1.025 340 T CB 1.567 70.443 68.868 0.013 0.000 1.079 340 T HN 0.409 nan 8.240 nan 0.000 0.516 341 P HA 0.136 nan 4.420 nan 0.000 0.242 341 P C 0.633 177.944 177.300 0.019 0.000 1.197 341 P CA 0.347 63.458 63.100 0.018 0.000 0.765 341 P CB 0.055 31.764 31.700 0.015 0.000 0.936 342 E N -0.749 119.460 120.200 0.016 0.000 2.482 342 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 342 E C 0.958 177.569 176.600 0.019 0.000 1.047 342 E CA 0.787 57.196 56.400 0.015 0.000 0.869 342 E CB -0.566 29.141 29.700 0.010 0.000 0.836 342 E HN 0.258 nan 8.360 nan 0.000 0.520 343 D N -0.676 119.737 120.400 0.021 0.000 2.367 343 D HA 0.069 4.709 4.640 -0.000 0.000 0.207 343 D C 0.512 176.832 176.300 0.034 0.000 1.034 343 D CA 0.027 54.041 54.000 0.023 0.000 0.861 343 D CB 0.392 41.203 40.800 0.017 0.000 0.943 343 D HN 0.151 nan 8.370 nan 0.000 0.515 344 L N 0.468 121.714 121.223 0.038 0.000 2.472 344 L HA 0.431 4.771 4.340 -0.000 0.000 0.260 344 L C 1.145 178.057 176.870 0.069 0.000 1.209 344 L CA -0.173 54.698 54.840 0.052 0.000 0.817 344 L CB 0.464 42.553 42.059 0.051 0.000 1.106 344 L HN -0.056 nan 8.230 nan 0.000 0.479 345 G N -0.480 108.374 108.800 0.089 0.000 2.630 345 G HA2 0.479 4.439 3.960 -0.000 0.000 0.296 345 G HA3 0.479 4.439 3.960 -0.000 0.000 0.296 345 G C -2.259 172.739 174.900 0.163 0.000 1.285 345 G CA -0.279 44.886 45.100 0.109 0.000 0.958 345 G HN 0.400 nan 8.290 nan 0.000 0.479 346 Y N 0.438 120.758 120.300 0.033 0.000 2.364 346 Y HA 0.685 5.235 4.550 -0.000 0.000 0.340 346 Y C -0.256 175.668 175.900 0.040 0.000 0.975 346 Y CA -1.199 56.920 58.100 0.033 0.000 1.089 346 Y CB 1.877 40.351 38.460 0.023 0.000 1.192 346 Y HN 0.766 nan 8.280 nan 0.000 0.454 347 A N 5.328 127.651 122.820 -0.828 0.000 2.359 347 A HA 0.343 4.663 4.320 -0.000 0.000 0.303 347 A C 0.619 177.616 177.584 -0.979 0.000 1.066 347 A CA -0.491 51.139 52.037 -0.678 0.000 0.730 347 A CB 1.096 19.953 19.000 -0.238 0.000 1.211 347 A HN 0.978 nan 8.150 nan 0.000 0.439 348 E N 1.406 121.158 120.200 -0.748 0.000 2.160 348 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 348 E C -0.218 176.303 176.600 -0.132 0.000 0.991 348 E CA 1.493 57.701 56.400 -0.321 0.000 0.810 348 E CB 0.117 29.779 29.700 -0.064 0.000 0.742 348 E HN 0.471 nan 8.360 nan 0.000 0.466 349 V N 0.158 119.999 119.914 -0.123 0.000 2.924 349 V HA 0.245 4.365 4.120 -0.000 0.000 0.300 349 V C -1.283 174.802 176.094 -0.015 0.000 1.227 349 V CA -0.878 61.397 62.300 -0.042 0.000 0.954 349 V CB 2.376 34.191 31.823 -0.014 0.000 1.055 349 V HN -0.132 nan 8.190 nan 0.000 0.429 350 V N 4.036 123.957 119.914 0.012 0.000 2.447 350 V HA 0.638 4.758 4.120 -0.000 0.000 0.292 350 V C -0.479 175.654 176.094 0.065 0.000 1.021 350 V CA -0.345 61.989 62.300 0.057 0.000 0.850 350 V CB 1.657 33.504 31.823 0.041 0.000 1.005 350 V HN 0.956 nan 8.190 nan 0.000 0.426 351 E N 3.331 123.599 120.200 0.113 0.000 2.383 351 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 351 E C -1.143 175.555 176.600 0.165 0.000 0.918 351 E CA -0.732 55.728 56.400 0.099 0.000 0.764 351 E CB 2.495 32.224 29.700 0.049 0.000 1.252 351 E HN 0.748 nan 8.360 nan 0.000 0.449 352 E N 3.995 124.268 120.200 0.121 0.000 2.089 352 E HA 0.276 4.626 4.350 -0.000 0.000 0.284 352 E C -0.964 175.712 176.600 0.126 0.000 1.023 352 E CA -0.427 56.058 56.400 0.141 0.000 0.819 352 E CB 0.767 30.523 29.700 0.093 0.000 1.076 352 E HN 0.322 nan 8.360 nan 0.000 0.396 353 R N 3.520 124.137 120.500 0.195 0.000 2.589 353 R HA 0.252 4.592 4.340 -0.000 0.000 0.293 353 R C -0.354 176.033 176.300 0.146 0.000 0.963 353 R CA -0.802 55.374 56.100 0.126 0.000 0.905 353 R CB 1.505 31.823 30.300 0.030 0.000 1.144 353 R HN 0.338 nan 8.270 nan 0.000 0.459 354 K N 3.635 124.085 120.400 0.082 0.000 2.187 354 K HA 0.097 4.417 4.320 -0.000 0.000 0.242 354 K C -0.620 176.025 176.600 0.076 0.000 1.179 354 K CA -0.360 55.971 56.287 0.073 0.000 1.097 354 K CB 0.174 32.701 32.500 0.045 0.000 1.634 354 K HN 0.258 nan 8.250 nan 0.000 0.335 355 L N 3.747 125.042 121.223 0.120 0.000 2.462 355 L HA 0.188 4.528 4.340 -0.000 0.000 0.283 355 L C -0.012 176.905 176.870 0.078 0.000 1.166 355 L CA 0.834 55.745 54.840 0.119 0.000 0.964 355 L CB -0.287 41.906 42.059 0.222 0.000 1.294 355 L HN 0.717 nan 8.230 nan 0.000 0.449 356 A N 3.390 126.241 122.820 0.053 0.000 3.091 356 A HA 0.146 4.466 4.320 -0.000 0.000 0.271 356 A C 1.454 179.059 177.584 0.034 0.000 1.400 356 A CA 0.884 52.944 52.037 0.039 0.000 0.757 356 A CB -2.174 16.849 19.000 0.039 0.000 1.032 356 A HN 2.260 nan 8.150 nan 0.000 0.519 357 G N -1.636 107.183 108.800 0.033 0.000 2.196 357 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.268 357 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.268 357 G C -0.014 174.904 174.900 0.031 0.000 0.975 357 G CA 1.447 46.563 45.100 0.028 0.000 0.648 357 G HN 1.814 nan 8.290 nan 0.000 0.538 358 E N 1.230 121.454 120.200 0.039 0.000 2.063 358 E HA 0.387 4.737 4.350 -0.000 0.000 0.265 358 E C 0.259 176.892 176.600 0.055 0.000 0.919 358 E CA -0.736 55.687 56.400 0.039 0.000 0.756 358 E CB 0.040 29.761 29.700 0.034 0.000 1.120 358 E HN 0.281 nan 8.360 nan 0.000 0.414 359 N N 4.064 122.795 118.700 0.050 0.000 2.458 359 N HA 0.149 4.889 4.740 -0.000 0.000 0.258 359 N C -0.344 175.205 175.510 0.064 0.000 1.219 359 N CA 0.786 53.876 53.050 0.066 0.000 0.902 359 N CB 0.506 39.025 38.487 0.053 0.000 1.076 359 N HN 0.511 nan 8.380 nan 0.000 0.455 360 M N 1.449 121.108 119.600 0.099 0.000 2.644 360 M HA 0.467 4.947 4.480 -0.000 0.000 0.273 360 M C -0.921 175.444 176.300 0.109 0.000 1.253 360 M CA -0.577 54.752 55.300 0.048 0.000 0.852 360 M CB 2.177 34.757 32.600 -0.033 0.000 1.708 360 M HN 0.183 nan 8.290 nan 0.000 0.471 361 I N 1.711 122.294 120.570 0.022 0.000 2.382 361 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 361 I C -1.458 174.677 176.117 0.031 0.000 1.002 361 I CA -0.356 61.018 61.300 0.123 0.000 1.135 361 I CB 1.067 39.175 38.000 0.181 0.000 1.288 361 I HN 0.436 nan 8.210 nan 0.000 0.448 362 F N 5.969 125.947 119.950 0.048 0.000 2.410 362 F HA 0.349 4.875 4.527 -0.000 0.000 0.349 362 F C 0.320 176.140 175.800 0.034 0.000 1.117 362 F CA -0.643 57.372 58.000 0.025 0.000 1.104 362 F CB 1.458 40.464 39.000 0.010 0.000 1.122 362 F HN 0.020 nan 8.300 nan 0.000 0.483 363 V N 4.544 124.545 119.914 0.146 0.000 2.239 363 V HA 0.228 4.348 4.120 -0.000 0.000 0.267 363 V C -0.100 176.027 176.094 0.055 0.000 1.056 363 V CA -0.550 61.808 62.300 0.097 0.000 0.830 363 V CB 0.036 31.901 31.823 0.070 0.000 1.090 363 V HN 0.765 nan 8.190 nan 0.000 0.459 364 E N 2.205 122.441 120.200 0.060 0.000 2.281 364 E HA 0.675 5.025 4.350 -0.000 0.000 0.257 364 E C 0.688 177.269 176.600 -0.031 0.000 0.971 364 E CA -0.353 56.065 56.400 0.030 0.000 0.839 364 E CB 2.065 31.805 29.700 0.067 0.000 1.238 364 E HN 0.605 nan 8.360 nan 0.000 0.412 365 G N 0.113 108.900 108.800 -0.022 0.000 2.147 365 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.244 365 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.244 365 G C 0.191 175.050 174.900 -0.067 0.000 1.005 365 G CA 0.071 45.152 45.100 -0.033 0.000 0.713 365 G HN 0.599 nan 8.290 nan 0.000 0.515 366 C N 0.310 119.573 119.300 -0.062 0.000 2.679 366 C HA 0.370 4.830 4.460 -0.000 0.000 0.417 366 C C 2.235 177.247 174.990 0.037 0.000 1.302 366 C CA 0.493 59.479 59.018 -0.053 0.000 1.973 366 C CB 1.092 28.812 27.740 -0.033 0.000 2.715 366 C HN 0.735 nan 8.230 nan 0.000 0.628 367 K N 1.891 122.360 120.400 0.116 0.000 1.974 367 K HA -0.203 4.117 4.320 -0.000 0.000 0.229 367 K C 0.639 177.283 176.600 0.073 0.000 1.038 367 K CA 2.023 58.392 56.287 0.138 0.000 1.034 367 K CB -0.167 32.432 32.500 0.164 0.000 0.742 367 K HN 0.749 nan 8.250 nan 0.000 0.446 368 N N 1.016 119.750 118.700 0.056 0.000 2.804 368 N HA 0.279 5.018 4.740 -0.000 0.000 0.251 368 N C -2.801 172.724 175.510 0.024 0.000 1.250 368 N CA -2.016 51.055 53.050 0.034 0.000 0.820 368 N CB 1.392 39.896 38.487 0.028 0.000 1.156 368 N HN 0.068 nan 8.380 nan 0.000 0.512 369 P HA 0.133 nan 4.420 nan 0.000 0.271 369 P C -0.244 177.054 177.300 -0.004 0.000 1.216 369 P CA -0.180 62.921 63.100 0.002 0.000 0.771 369 P CB 1.395 33.089 31.700 -0.009 0.000 0.864 370 K N 1.027 121.422 120.400 -0.009 0.000 2.372 370 K HA 0.457 4.777 4.320 -0.000 0.000 0.200 370 K C 0.073 176.659 176.600 -0.022 0.000 1.022 370 K CA -0.158 56.123 56.287 -0.011 0.000 1.125 370 K CB 0.142 32.637 32.500 -0.009 0.000 0.855 370 K HN 0.591 nan 8.250 nan 0.000 0.524 371 A N -0.555 122.245 122.820 -0.033 0.000 2.517 371 A HA 0.675 4.995 4.320 -0.000 0.000 0.297 371 A C -1.484 176.062 177.584 -0.064 0.000 1.050 371 A CA -0.649 51.356 52.037 -0.053 0.000 0.694 371 A CB 1.492 20.457 19.000 -0.059 0.000 1.277 371 A HN -0.046 nan 8.150 nan 0.000 0.400 372 V N 0.929 120.791 119.914 -0.087 0.000 3.156 372 V HA 0.925 5.045 4.120 -0.000 0.000 0.310 372 V C -0.765 175.245 176.094 -0.140 0.000 1.234 372 V CA -0.254 61.991 62.300 -0.092 0.000 1.065 372 V CB 2.620 34.401 31.823 -0.070 0.000 1.088 372 V HN 1.093 nan 8.190 nan 0.000 0.451 373 T N 3.319 117.797 114.554 -0.127 0.000 2.886 373 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 373 T C -0.845 173.781 174.700 -0.123 0.000 1.012 373 T CA -0.086 61.919 62.100 -0.159 0.000 0.982 373 T CB 1.203 69.994 68.868 -0.130 0.000 1.018 373 T HN 0.508 nan 8.240 nan 0.000 0.451 374 I N 3.606 124.076 120.570 -0.166 0.000 2.354 374 I HA 0.324 4.493 4.170 -0.000 0.000 0.286 374 I C -0.562 175.578 176.117 0.038 0.000 1.007 374 I CA -0.869 60.403 61.300 -0.047 0.000 1.167 374 I CB 1.261 39.250 38.000 -0.018 0.000 1.320 374 I HN 0.331 nan 8.210 nan 0.000 0.458 375 L N 8.683 129.940 121.223 0.057 0.000 2.319 375 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 375 L C -0.446 176.475 176.870 0.084 0.000 1.099 375 L CA 0.369 55.257 54.840 0.080 0.000 0.828 375 L CB 0.462 42.599 42.059 0.130 0.000 1.150 375 L HN 0.381 nan 8.230 nan 0.000 0.442 376 I N 5.861 126.478 120.570 0.079 0.000 2.404 376 I HA 0.511 4.681 4.170 -0.000 0.000 0.293 376 I C -0.259 175.877 176.117 0.032 0.000 0.992 376 I CA -0.811 60.521 61.300 0.053 0.000 1.149 376 I CB 1.081 39.113 38.000 0.053 0.000 1.315 376 I HN 0.523 nan 8.210 nan 0.000 0.446 377 R N 4.270 124.776 120.500 0.009 0.000 2.740 377 R HA 0.858 5.198 4.340 -0.000 0.000 0.282 377 R C -0.447 175.841 176.300 -0.020 0.000 0.969 377 R CA -0.980 55.123 56.100 0.005 0.000 0.918 377 R CB 2.092 32.399 30.300 0.011 0.000 1.175 377 R HN 0.867 nan 8.270 nan 0.000 0.464 378 G N -0.895 107.900 108.800 -0.008 0.000 2.601 378 G HA2 0.390 4.350 3.960 -0.000 0.000 0.291 378 G HA3 0.390 4.350 3.960 -0.000 0.000 0.291 378 G C 0.244 175.149 174.900 0.009 0.000 1.456 378 G CA -0.247 44.846 45.100 -0.010 0.000 0.804 378 G HN 0.460 nan 8.290 nan 0.000 0.499 379 G N -0.956 107.854 108.800 0.017 0.000 2.414 379 G HA2 0.269 4.229 3.960 -0.000 0.000 0.215 379 G HA3 0.269 4.229 3.960 -0.000 0.000 0.215 379 G C 0.868 175.788 174.900 0.034 0.000 1.188 379 G CA 1.901 47.017 45.100 0.026 0.000 0.783 379 G HN 0.948 nan 8.290 nan 0.000 0.537 380 T N -1.383 113.199 114.554 0.047 0.000 2.950 380 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 380 T C 1.045 175.780 174.700 0.059 0.000 1.035 380 T CA -0.354 61.789 62.100 0.072 0.000 1.028 380 T CB 2.018 70.958 68.868 0.120 0.000 1.109 380 T HN 0.079 nan 8.240 nan 0.000 0.514 381 E N 0.543 120.769 120.200 0.044 0.000 2.118 381 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 381 E C 1.530 178.072 176.600 -0.097 0.000 0.992 381 E CA 1.829 58.197 56.400 -0.053 0.000 0.804 381 E CB -0.174 29.449 29.700 -0.128 0.000 0.741 381 E HN 0.745 nan 8.360 nan 0.000 0.458 382 H N -1.363 117.703 119.070 -0.007 0.000 2.387 382 H HA -0.052 4.503 4.556 -0.000 0.000 0.299 382 H C 2.023 177.345 175.328 -0.012 0.000 1.090 382 H CA 1.364 57.407 56.048 -0.009 0.000 1.332 382 H CB -0.149 29.610 29.762 -0.005 0.000 1.386 382 H HN 0.011 nan 8.280 nan 0.000 0.516 383 V N 0.747 120.724 119.914 0.105 0.000 2.255 383 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 383 V C 2.294 178.394 176.094 0.009 0.000 1.051 383 V CA 2.011 64.341 62.300 0.050 0.000 1.018 383 V CB -0.545 31.300 31.823 0.036 0.000 0.641 383 V HN 0.366 nan 8.190 nan 0.000 0.445 384 I N 0.002 120.568 120.570 -0.006 0.000 2.076 384 I HA -0.261 3.908 4.170 -0.000 0.000 0.237 384 I C 2.397 178.486 176.117 -0.047 0.000 1.059 384 I CA 1.938 63.222 61.300 -0.027 0.000 1.317 384 I CB -0.765 37.221 38.000 -0.024 0.000 1.037 384 I HN 0.327 nan 8.210 nan 0.000 0.398 385 D N 0.484 120.849 120.400 -0.058 0.000 2.149 385 D HA -0.259 4.381 4.640 -0.000 0.000 0.194 385 D C 2.040 178.297 176.300 -0.070 0.000 1.001 385 D CA 1.671 55.624 54.000 -0.077 0.000 0.849 385 D CB -0.229 40.513 40.800 -0.096 0.000 0.939 385 D HN 0.347 nan 8.370 nan 0.000 0.449 386 E N 0.406 120.584 120.200 -0.037 0.000 2.152 386 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 386 E C 2.086 178.659 176.600 -0.045 0.000 0.983 386 E CA 0.246 56.630 56.400 -0.027 0.000 0.818 386 E CB 0.022 29.729 29.700 0.011 0.000 0.758 386 E HN 0.016 nan 8.360 nan 0.000 0.467 387 V N 0.828 120.714 119.914 -0.048 0.000 2.358 387 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 387 V C 2.383 178.412 176.094 -0.108 0.000 1.047 387 V CA 2.088 64.354 62.300 -0.056 0.000 1.035 387 V CB -0.491 31.301 31.823 -0.052 0.000 0.658 387 V HN 0.385 nan 8.190 nan 0.000 0.452 388 E N 0.238 120.346 120.200 -0.153 0.000 2.077 388 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 388 E C 2.457 178.833 176.600 -0.374 0.000 0.989 388 E CA 1.312 57.520 56.400 -0.320 0.000 0.800 388 E CB -0.061 29.466 29.700 -0.288 0.000 0.746 388 E HN 0.480 nan 8.360 nan 0.000 0.452 389 R N -0.154 120.215 120.500 -0.218 0.000 2.096 389 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 389 R C 2.389 178.607 176.300 -0.137 0.000 1.127 389 R CA 1.057 57.055 56.100 -0.169 0.000 0.968 389 R CB -0.244 29.997 30.300 -0.098 0.000 0.861 389 R HN 0.191 nan 8.270 nan 0.000 0.440 390 A N 1.071 123.829 122.820 -0.103 0.000 1.877 390 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 390 A C 2.130 179.678 177.584 -0.059 0.000 1.186 390 A CA 1.173 53.177 52.037 -0.056 0.000 0.620 390 A CB -0.565 18.420 19.000 -0.024 0.000 0.822 390 A HN 0.201 nan 8.150 nan 0.000 0.443 391 L N -0.555 120.609 121.223 -0.099 0.000 2.131 391 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 391 L C 2.526 179.374 176.870 -0.036 0.000 1.092 391 L CA 1.451 56.267 54.840 -0.041 0.000 0.759 391 L CB -0.513 41.542 42.059 -0.008 0.000 0.903 391 L HN 0.490 nan 8.230 nan 0.000 0.435 392 E N -0.166 119.914 120.200 -0.199 0.000 2.106 392 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 392 E C 1.506 178.103 176.600 -0.004 0.000 0.984 392 E CA 1.090 57.429 56.400 -0.101 0.000 0.806 392 E CB -0.012 29.569 29.700 -0.198 0.000 0.750 392 E HN 0.532 nan 8.360 nan 0.000 0.458 393 D N 0.563 120.950 120.400 -0.023 0.000 2.194 393 D HA -0.040 4.600 4.640 -0.000 0.000 0.204 393 D C 1.919 178.230 176.300 0.019 0.000 0.964 393 D CA 0.845 54.844 54.000 -0.000 0.000 0.846 393 D CB -0.023 40.772 40.800 -0.009 0.000 0.962 393 D HN 0.105 nan 8.370 nan 0.000 0.490 394 A N 1.045 123.881 122.820 0.025 0.000 1.877 394 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 394 A C 2.547 180.163 177.584 0.053 0.000 1.186 394 A CA 1.177 53.238 52.037 0.039 0.000 0.620 394 A CB -0.811 18.218 19.000 0.047 0.000 0.822 394 A HN 0.116 nan 8.150 nan 0.000 0.443 395 V N -0.057 119.908 119.914 0.085 0.000 2.307 395 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 395 V C 2.479 178.611 176.094 0.064 0.000 1.045 395 V CA 2.343 64.700 62.300 0.095 0.000 1.024 395 V CB -0.622 31.305 31.823 0.173 0.000 0.651 395 V HN 0.548 nan 8.190 nan 0.000 0.449 396 K N -0.125 120.311 120.400 0.061 0.000 2.152 396 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 396 K C 1.955 178.571 176.600 0.026 0.000 1.048 396 K CA 1.732 58.044 56.287 0.042 0.000 0.933 396 K CB -0.173 32.348 32.500 0.035 0.000 0.721 396 K HN 0.594 nan 8.250 nan 0.000 0.447 397 V N -2.751 117.176 119.914 0.023 0.000 2.446 397 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 397 V C 2.005 178.102 176.094 0.005 0.000 1.039 397 V CA 1.003 63.311 62.300 0.013 0.000 1.045 397 V CB -0.608 31.223 31.823 0.013 0.000 0.681 397 V HN -0.059 nan 8.190 nan 0.000 0.459 398 V N 1.116 121.035 119.914 0.008 0.000 2.469 398 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 398 V C 2.707 178.791 176.094 -0.017 0.000 1.064 398 V CA 2.672 64.969 62.300 -0.006 0.000 1.066 398 V CB -1.028 30.798 31.823 0.004 0.000 0.667 398 V HN 0.731 nan 8.190 nan 0.000 0.461 399 K N 0.070 120.471 120.400 0.001 0.000 2.103 399 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 399 K C 1.742 178.339 176.600 -0.004 0.000 1.052 399 K CA 1.676 57.965 56.287 0.004 0.000 0.945 399 K CB -0.187 32.327 32.500 0.023 0.000 0.722 399 K HN 0.483 nan 8.250 nan 0.000 0.443 400 D N 0.594 120.992 120.400 -0.002 0.000 2.144 400 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 400 D C 2.030 178.319 176.300 -0.018 0.000 0.978 400 D CA 1.107 55.105 54.000 -0.003 0.000 0.833 400 D CB -0.011 40.789 40.800 0.001 0.000 0.961 400 D HN 0.099 nan 8.370 nan 0.000 0.470 401 V N 1.304 121.199 119.914 -0.032 0.000 2.323 401 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 401 V C 2.603 178.641 176.094 -0.093 0.000 1.041 401 V CA 1.204 63.474 62.300 -0.050 0.000 1.025 401 V CB -0.429 31.364 31.823 -0.050 0.000 0.656 401 V HN 0.146 nan 8.190 nan 0.000 0.451 402 M N -0.440 119.079 119.600 -0.135 0.000 2.159 402 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 402 M C 2.203 178.403 176.300 -0.166 0.000 1.063 402 M CA 1.875 57.008 55.300 -0.278 0.000 1.110 402 M CB -0.432 31.971 32.600 -0.329 0.000 1.374 402 M HN 0.417 nan 8.290 nan 0.000 0.411 403 E N -0.023 120.151 120.200 -0.043 0.000 2.086 403 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 403 E C 1.370 177.980 176.600 0.017 0.000 0.975 403 E CA 0.901 57.318 56.400 0.028 0.000 0.813 403 E CB 0.083 29.805 29.700 0.037 0.000 0.768 403 E HN 0.463 nan 8.360 nan 0.000 0.457 404 D N -0.418 119.980 120.400 -0.005 0.000 2.201 404 D HA 0.030 4.669 4.640 -0.000 0.000 0.209 404 D C 0.907 177.202 176.300 -0.009 0.000 0.961 404 D CA 1.069 55.068 54.000 -0.002 0.000 0.861 404 D CB 0.006 40.804 40.800 -0.003 0.000 0.997 404 D HN 0.228 nan 8.370 nan 0.000 0.486 405 G N 0.607 109.390 108.800 -0.028 0.000 2.351 405 G HA2 0.100 4.060 3.960 -0.000 0.000 0.297 405 G HA3 0.100 4.060 3.960 -0.000 0.000 0.297 405 G C -0.035 174.856 174.900 -0.016 0.000 1.054 405 G CA 0.419 45.501 45.100 -0.030 0.000 1.123 405 G HN 0.686 nan 8.290 nan 0.000 0.512 406 A N -1.343 121.467 122.820 -0.016 0.000 2.565 406 A HA 0.973 5.293 4.320 -0.000 0.000 0.298 406 A C -0.122 177.458 177.584 -0.007 0.000 1.062 406 A CA 0.190 52.222 52.037 -0.009 0.000 0.723 406 A CB 1.512 20.509 19.000 -0.004 0.000 1.282 406 A HN 2.091 nan 8.150 nan 0.000 0.400 407 V N -0.401 119.510 119.914 -0.004 0.000 3.167 407 V HA 0.973 5.093 4.120 -0.000 0.000 0.310 407 V C -0.877 175.221 176.094 0.006 0.000 1.207 407 V CA -0.974 61.326 62.300 -0.000 0.000 1.059 407 V CB 1.791 33.613 31.823 -0.002 0.000 1.079 407 V HN 1.004 nan 8.190 nan 0.000 0.446 408 L N 1.092 122.321 121.223 0.010 0.000 2.415 408 L HA 0.658 4.998 4.340 -0.000 0.000 0.256 408 L C -2.695 174.187 176.870 0.021 0.000 1.010 408 L CA -1.873 52.977 54.840 0.017 0.000 0.826 408 L CB 3.385 45.455 42.059 0.018 0.000 1.405 408 L HN 0.548 nan 8.230 nan 0.000 0.410 409 P HA 0.187 nan 4.420 nan 0.000 0.274 409 P C -0.807 176.513 177.300 0.034 0.000 1.231 409 P CA -0.173 62.948 63.100 0.035 0.000 0.790 409 P CB 1.518 33.247 31.700 0.047 0.000 0.951 410 A N 2.276 125.116 122.820 0.034 0.000 3.054 410 A HA 0.561 4.881 4.320 -0.000 0.000 0.207 410 A C 1.404 179.003 177.584 0.025 0.000 1.942 410 A CA 0.157 52.212 52.037 0.029 0.000 0.878 410 A CB -1.377 17.645 19.000 0.035 0.000 1.860 410 A HN 0.686 nan 8.150 nan 0.000 0.706 411 G N -1.961 106.850 108.800 0.018 0.000 2.402 411 G HA2 0.165 4.125 3.960 -0.000 0.000 0.300 411 G HA3 0.165 4.125 3.960 -0.000 0.000 0.300 411 G C 1.592 176.488 174.900 -0.008 0.000 0.987 411 G CA 1.403 46.505 45.100 0.004 0.000 0.881 411 G HN 2.595 nan 8.290 nan 0.000 0.512 412 G N -1.962 106.830 108.800 -0.013 0.000 2.155 412 G HA2 0.044 4.004 3.960 -0.000 0.000 0.257 412 G HA3 0.044 4.004 3.960 -0.000 0.000 0.257 412 G C 1.528 176.402 174.900 -0.042 0.000 0.983 412 G CA 1.290 46.372 45.100 -0.030 0.000 0.676 412 G HN 2.016 nan 8.290 nan 0.000 0.528 413 A N 0.604 123.420 122.820 -0.007 0.000 1.902 413 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 413 A C 0.665 178.246 177.584 -0.005 0.000 1.181 413 A CA 2.385 54.432 52.037 0.017 0.000 0.623 413 A CB -0.858 18.203 19.000 0.102 0.000 0.818 413 A HN 0.473 nan 8.150 nan 0.000 0.443 414 P HA -0.145 nan 4.420 nan 0.000 0.217 414 P C 1.207 178.495 177.300 -0.020 0.000 1.151 414 P CA 1.352 64.461 63.100 0.014 0.000 0.828 414 P CB -0.082 31.628 31.700 0.016 0.000 0.788 415 E N -0.011 120.165 120.200 -0.041 0.000 2.107 415 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 415 E C 2.107 178.654 176.600 -0.089 0.000 0.982 415 E CA 1.027 57.399 56.400 -0.047 0.000 0.809 415 E CB -1.146 28.525 29.700 -0.049 0.000 0.756 415 E HN 0.304 nan 8.360 nan 0.000 0.459 416 I N 1.391 121.858 120.570 -0.172 0.000 2.252 416 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 416 I C 2.687 178.597 176.117 -0.346 0.000 1.102 416 I CA 1.534 62.655 61.300 -0.299 0.000 1.385 416 I CB -0.213 37.491 38.000 -0.492 0.000 1.064 416 I HN 0.093 nan 8.210 nan 0.000 0.414 417 E N 1.568 121.583 120.200 -0.309 0.000 2.106 417 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 417 E C 2.190 178.801 176.600 0.018 0.000 0.984 417 E CA 1.269 57.669 56.400 -0.001 0.000 0.806 417 E CB -0.212 29.610 29.700 0.203 0.000 0.750 417 E HN 0.395 nan 8.360 nan 0.000 0.458 418 L N -0.159 121.062 121.223 -0.005 0.000 2.056 418 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 418 L C 2.461 179.349 176.870 0.030 0.000 1.078 418 L CA 1.023 55.874 54.840 0.019 0.000 0.749 418 L CB -0.594 41.483 42.059 0.030 0.000 0.901 418 L HN 0.286 nan 8.230 nan 0.000 0.433 419 A N 0.743 123.568 122.820 0.007 0.000 1.841 419 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 419 A C 2.126 179.728 177.584 0.030 0.000 1.199 419 A CA 1.896 53.946 52.037 0.020 0.000 0.621 419 A CB -0.833 18.157 19.000 -0.017 0.000 0.835 419 A HN 0.347 nan 8.150 nan 0.000 0.445 420 I N -1.105 119.473 120.570 0.013 0.000 2.091 420 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 420 I C 2.766 178.915 176.117 0.053 0.000 1.061 420 I CA 2.252 63.574 61.300 0.037 0.000 1.317 420 I CB -0.473 37.561 38.000 0.056 0.000 1.031 420 I HN 0.367 nan 8.210 nan 0.000 0.401 421 R N 1.351 121.884 120.500 0.055 0.000 2.081 421 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 421 R C 2.262 178.608 176.300 0.075 0.000 1.131 421 R CA 1.391 57.525 56.100 0.056 0.000 0.960 421 R CB -0.473 29.851 30.300 0.038 0.000 0.856 421 R HN 0.287 nan 8.270 nan 0.000 0.436 422 L N 0.538 121.805 121.223 0.073 0.000 2.191 422 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 422 L C 2.131 179.089 176.870 0.147 0.000 1.103 422 L CA 1.419 56.329 54.840 0.117 0.000 0.769 422 L CB -0.500 41.612 42.059 0.088 0.000 0.908 422 L HN 0.409 nan 8.230 nan 0.000 0.438 423 D N -0.203 120.255 120.400 0.098 0.000 2.117 423 D HA -0.181 4.458 4.640 -0.000 0.000 0.198 423 D C 1.950 178.289 176.300 0.066 0.000 0.982 423 D CA 1.007 55.051 54.000 0.073 0.000 0.828 423 D CB 0.266 41.099 40.800 0.055 0.000 0.967 423 D HN 0.279 nan 8.370 nan 0.000 0.464 424 E N 0.061 120.309 120.200 0.080 0.000 2.077 424 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 424 E C 2.070 178.728 176.600 0.096 0.000 0.989 424 E CA 0.577 57.020 56.400 0.073 0.000 0.800 424 E CB -0.890 28.855 29.700 0.075 0.000 0.746 424 E HN 0.480 nan 8.360 nan 0.000 0.452 425 Y N 1.733 122.030 120.300 -0.006 0.000 2.165 425 Y HA -0.213 4.336 4.550 -0.000 0.000 0.286 425 Y C 2.271 178.163 175.900 -0.013 0.000 1.155 425 Y CA 1.324 59.415 58.100 -0.016 0.000 1.164 425 Y CB -0.630 37.810 38.460 -0.032 0.000 0.978 425 Y HN 0.007 nan 8.280 nan 0.000 0.513 426 A N 0.921 123.666 122.820 -0.125 0.000 1.883 426 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 426 A C 2.273 179.764 177.584 -0.156 0.000 1.186 426 A CA 1.995 53.916 52.037 -0.193 0.000 0.624 426 A CB -0.533 18.436 19.000 -0.051 0.000 0.822 426 A HN 0.364 nan 8.150 nan 0.000 0.444 427 K N 0.445 120.802 120.400 -0.072 0.000 2.001 427 K HA -0.246 4.074 4.320 -0.000 0.000 0.214 427 K C 2.145 178.704 176.600 -0.069 0.000 1.050 427 K CA 2.077 58.335 56.287 -0.048 0.000 0.934 427 K CB -0.986 31.507 32.500 -0.012 0.000 0.718 427 K HN 0.910 nan 8.250 nan 0.000 0.443 428 Q N 0.533 120.290 119.800 -0.071 0.000 2.291 428 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 428 Q C 1.925 177.850 176.000 -0.124 0.000 0.970 428 Q CA 1.150 56.914 55.803 -0.064 0.000 0.876 428 Q CB -0.300 28.434 28.738 -0.005 0.000 0.935 428 Q HN 0.012 nan 8.270 nan 0.000 0.455 429 V N 0.914 120.678 119.914 -0.250 0.000 2.446 429 V HA 0.046 4.165 4.120 -0.000 0.000 0.244 429 V C 1.348 177.349 176.094 -0.154 0.000 1.039 429 V CA 1.098 63.234 62.300 -0.273 0.000 1.045 429 V CB -1.068 30.457 31.823 -0.496 0.000 0.681 429 V HN 0.665 nan 8.190 nan 0.000 0.459 430 G N -0.377 108.343 108.800 -0.133 0.000 2.960 430 G HA2 0.267 4.227 3.960 -0.000 0.000 0.267 430 G HA3 0.267 4.227 3.960 -0.000 0.000 0.267 430 G C 0.533 175.394 174.900 -0.064 0.000 1.492 430 G CA -0.209 44.844 45.100 -0.078 0.000 0.953 430 G HN 1.765 nan 8.290 nan 0.000 0.555 431 G N -0.918 107.858 108.800 -0.040 0.000 2.615 431 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.218 431 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.218 431 G C 0.897 175.785 174.900 -0.021 0.000 1.339 431 G CA 0.762 45.845 45.100 -0.029 0.000 0.884 431 G HN 1.248 nan 8.290 nan 0.000 0.559 432 K N 0.394 120.786 120.400 -0.014 0.000 2.057 432 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 432 K C 2.465 179.066 176.600 0.001 0.000 1.050 432 K CA 2.106 58.392 56.287 -0.003 0.000 0.935 432 K CB -0.326 32.175 32.500 0.002 0.000 0.715 432 K HN 0.553 nan 8.250 nan 0.000 0.439 433 E N 1.093 121.288 120.200 -0.009 0.000 2.097 433 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 433 E C 1.905 178.502 176.600 -0.006 0.000 1.000 433 E CA 1.398 57.797 56.400 -0.002 0.000 0.804 433 E CB -0.446 29.239 29.700 -0.025 0.000 0.740 433 E HN 0.326 nan 8.360 nan 0.000 0.454 434 A N 0.380 123.177 122.820 -0.038 0.000 1.997 434 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 434 A C 1.984 179.572 177.584 0.007 0.000 1.172 434 A CA 1.405 53.414 52.037 -0.047 0.000 0.645 434 A CB -0.533 18.434 19.000 -0.055 0.000 0.813 434 A HN 0.176 nan 8.150 nan 0.000 0.454 435 L N -0.827 120.411 121.223 0.025 0.000 2.072 435 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 435 L C 2.966 179.899 176.870 0.104 0.000 1.079 435 L CA 1.806 56.676 54.840 0.051 0.000 0.752 435 L CB -0.987 41.093 42.059 0.035 0.000 0.906 435 L HN 0.373 nan 8.230 nan 0.000 0.436 436 A N -0.218 122.676 122.820 0.122 0.000 1.855 436 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 436 A C 2.315 180.114 177.584 0.358 0.000 1.191 436 A CA 1.681 53.869 52.037 0.251 0.000 0.613 436 A CB -0.775 18.342 19.000 0.195 0.000 0.829 436 A HN 0.326 nan 8.150 nan 0.000 0.442 437 I N -0.368 120.320 120.570 0.196 0.000 2.151 437 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 437 I C 2.522 178.729 176.117 0.149 0.000 1.080 437 I CA 1.896 63.271 61.300 0.124 0.000 1.339 437 I CB -0.525 37.475 38.000 0.000 0.000 1.039 437 I HN 0.429 nan 8.210 nan 0.000 0.409 438 E N 0.612 120.881 120.200 0.114 0.000 2.110 438 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 438 E C 1.873 178.551 176.600 0.130 0.000 0.988 438 E CA 1.383 57.843 56.400 0.100 0.000 0.804 438 E CB -0.102 29.637 29.700 0.065 0.000 0.745 438 E HN 0.450 nan 8.360 nan 0.000 0.458 439 N N -0.015 118.792 118.700 0.177 0.000 2.171 439 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 439 N C 1.404 177.015 175.510 0.169 0.000 1.021 439 N CA 0.680 53.840 53.050 0.182 0.000 0.854 439 N CB -0.242 38.395 38.487 0.249 0.000 0.994 439 N HN 0.106 nan 8.380 nan 0.000 0.426 440 F N 1.306 121.253 119.950 -0.005 0.000 2.095 440 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 440 F C 2.150 177.871 175.800 -0.131 0.000 1.104 440 F CA 1.427 59.273 58.000 -0.257 0.000 1.232 440 F CB -0.221 38.540 39.000 -0.397 0.000 0.987 440 F HN 0.056 nan 8.300 nan 0.000 0.475 441 A N -0.302 122.696 122.820 0.297 0.000 1.883 441 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 441 A C 1.825 179.451 177.584 0.071 0.000 1.186 441 A CA 2.265 54.414 52.037 0.186 0.000 0.624 441 A CB -1.304 17.777 19.000 0.135 0.000 0.822 441 A HN 0.559 nan 8.150 nan 0.000 0.444 442 D N -0.797 119.634 120.400 0.052 0.000 2.178 442 D HA 0.041 4.681 4.640 -0.000 0.000 0.202 442 D C 2.022 178.306 176.300 -0.026 0.000 0.974 442 D CA 1.250 55.258 54.000 0.015 0.000 0.841 442 D CB -0.139 40.677 40.800 0.027 0.000 0.953 442 D HN 0.370 nan 8.370 nan 0.000 0.478 443 A N 0.436 123.218 122.820 -0.064 0.000 1.883 443 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 443 A C 2.243 179.743 177.584 -0.139 0.000 1.186 443 A CA 1.215 53.173 52.037 -0.131 0.000 0.624 443 A CB -1.063 17.779 19.000 -0.264 0.000 0.822 443 A HN 0.382 nan 8.150 nan 0.000 0.444 444 L N -0.613 120.522 121.223 -0.147 0.000 2.357 444 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 444 L C 1.999 178.823 176.870 -0.076 0.000 1.123 444 L CA 1.471 56.245 54.840 -0.110 0.000 0.782 444 L CB -0.551 41.477 42.059 -0.052 0.000 0.910 444 L HN 0.414 nan 8.230 nan 0.000 0.442 445 K N 0.161 120.523 120.400 -0.064 0.000 2.555 445 K HA -0.055 4.265 4.320 -0.000 0.000 0.193 445 K C 1.711 178.279 176.600 -0.054 0.000 1.032 445 K CA 0.661 56.915 56.287 -0.055 0.000 1.004 445 K CB -0.084 32.391 32.500 -0.042 0.000 0.804 445 K HN 0.330 nan 8.250 nan 0.000 0.496 446 I N 0.238 120.772 120.570 -0.061 0.000 2.614 446 I HA -0.211 3.959 4.170 -0.000 0.000 0.258 446 I C 1.796 177.882 176.117 -0.052 0.000 1.189 446 I CA 0.990 62.257 61.300 -0.055 0.000 1.462 446 I CB -0.511 37.453 38.000 -0.059 0.000 1.092 446 I HN 0.002 nan 8.210 nan 0.000 0.442 447 I N 1.249 121.786 120.570 -0.055 0.000 2.163 447 I HA -0.092 4.078 4.170 -0.000 0.000 0.240 447 I C 0.132 176.220 176.117 -0.047 0.000 1.081 447 I CA 1.579 62.849 61.300 -0.050 0.000 1.353 447 I CB -2.833 35.138 38.000 -0.048 0.000 1.054 447 I HN 0.186 nan 8.210 nan 0.000 0.407 448 P HA -0.133 nan 4.420 nan 0.000 0.215 448 P C 1.872 179.146 177.300 -0.043 0.000 1.157 448 P CA 1.395 64.468 63.100 -0.046 0.000 0.863 448 P CB -0.041 31.629 31.700 -0.050 0.000 0.787 449 K N -0.376 119.999 120.400 -0.042 0.000 2.000 449 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 449 K C 2.074 178.650 176.600 -0.040 0.000 1.053 449 K CA 2.775 59.039 56.287 -0.038 0.000 0.946 449 K CB -1.107 31.371 32.500 -0.037 0.000 0.723 449 K HN 0.240 nan 8.250 nan 0.000 0.446 450 T N -0.468 114.060 114.554 -0.042 0.000 3.035 450 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 450 T C 2.117 176.788 174.700 -0.049 0.000 1.109 450 T CA 0.583 62.657 62.100 -0.043 0.000 1.119 450 T CB -0.143 68.700 68.868 -0.042 0.000 0.900 450 T HN 0.130 nan 8.240 nan 0.000 0.503 451 L N 0.578 121.770 121.223 -0.052 0.000 2.027 451 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 451 L C 3.275 180.103 176.870 -0.071 0.000 1.074 451 L CA 1.418 56.220 54.840 -0.063 0.000 0.745 451 L CB -0.705 41.318 42.059 -0.060 0.000 0.898 451 L HN 0.410 nan 8.230 nan 0.000 0.433 452 A N -0.617 122.168 122.820 -0.059 0.000 1.930 452 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 452 A C 2.176 179.729 177.584 -0.052 0.000 1.175 452 A CA 1.695 53.698 52.037 -0.056 0.000 0.627 452 A CB -0.490 18.485 19.000 -0.041 0.000 0.815 452 A HN 0.470 nan 8.150 nan 0.000 0.443 453 E N 0.155 120.328 120.200 -0.046 0.000 2.058 453 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 453 E C 1.556 178.130 176.600 -0.044 0.000 0.997 453 E CA 1.367 57.743 56.400 -0.040 0.000 0.801 453 E CB -0.150 29.529 29.700 -0.036 0.000 0.746 453 E HN 0.598 nan 8.360 nan 0.000 0.450 454 N N -0.150 118.519 118.700 -0.052 0.000 2.453 454 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 454 N C 1.392 176.862 175.510 -0.066 0.000 1.041 454 N CA 0.904 53.921 53.050 -0.055 0.000 0.900 454 N CB 0.101 38.553 38.487 -0.060 0.000 0.961 454 N HN 0.191 nan 8.380 nan 0.000 0.443 455 A N 0.095 122.869 122.820 -0.077 0.000 2.021 455 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 455 A C 1.595 179.143 177.584 -0.060 0.000 1.163 455 A CA 1.332 53.316 52.037 -0.089 0.000 0.676 455 A CB -0.097 18.837 19.000 -0.110 0.000 0.818 455 A HN 0.307 nan 8.150 nan 0.000 0.453 456 G N -1.674 107.098 108.800 -0.047 0.000 2.154 456 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.186 456 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.186 456 G C 0.050 174.933 174.900 -0.028 0.000 1.000 456 G CA 0.037 45.117 45.100 -0.033 0.000 0.664 456 G HN 0.406 nan 8.290 nan 0.000 0.513 457 L N 0.471 121.674 121.223 -0.032 0.000 2.439 457 L HA 0.516 4.856 4.340 -0.000 0.000 0.259 457 L C 0.544 177.401 176.870 -0.022 0.000 1.129 457 L CA -0.891 53.934 54.840 -0.026 0.000 0.803 457 L CB 0.473 42.515 42.059 -0.029 0.000 1.161 457 L HN 0.104 nan 8.230 nan 0.000 0.462 458 D N 0.489 120.879 120.400 -0.016 0.000 2.359 458 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 458 D C 0.902 177.193 176.300 -0.016 0.000 1.264 458 D CA 0.004 53.996 54.000 -0.014 0.000 0.911 458 D CB 1.085 41.879 40.800 -0.010 0.000 1.056 458 D HN 0.498 nan 8.370 nan 0.000 0.499 459 T N 2.952 117.495 114.554 -0.018 0.000 2.570 459 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 459 T C 2.046 176.736 174.700 -0.016 0.000 1.071 459 T CA 1.894 63.982 62.100 -0.020 0.000 1.172 459 T CB -0.233 68.623 68.868 -0.021 0.000 0.864 459 T HN 0.384 nan 8.240 nan 0.000 0.421 460 V N 1.314 121.220 119.914 -0.013 0.000 2.282 460 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 460 V C 2.440 178.530 176.094 -0.008 0.000 1.057 460 V CA 2.256 64.550 62.300 -0.010 0.000 1.032 460 V CB -0.685 31.133 31.823 -0.008 0.000 0.645 460 V HN 0.541 nan 8.190 nan 0.000 0.447 461 E N -0.377 119.819 120.200 -0.007 0.000 2.028 461 E HA -0.240 4.110 4.350 -0.000 0.000 0.190 461 E C 2.185 178.783 176.600 -0.004 0.000 0.984 461 E CA 1.435 57.832 56.400 -0.004 0.000 0.800 461 E CB -0.162 29.536 29.700 -0.004 0.000 0.758 461 E HN 0.488 nan 8.360 nan 0.000 0.448 462 M N 0.572 120.168 119.600 -0.007 0.000 2.202 462 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 462 M C 1.880 178.176 176.300 -0.007 0.000 1.063 462 M CA 1.059 56.355 55.300 -0.007 0.000 1.097 462 M CB -0.043 32.550 32.600 -0.013 0.000 1.382 462 M HN 0.223 nan 8.290 nan 0.000 0.413 463 L N -0.948 120.269 121.223 -0.010 0.000 2.395 463 L HA 0.019 4.359 4.340 -0.000 0.000 0.218 463 L C 1.751 178.618 176.870 -0.006 0.000 1.130 463 L CA 0.908 55.741 54.840 -0.012 0.000 0.826 463 L CB -0.176 41.873 42.059 -0.017 0.000 0.941 463 L HN 0.190 nan 8.230 nan 0.000 0.451 464 V N -1.277 118.636 119.914 -0.001 0.000 2.649 464 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 464 V C 2.374 178.475 176.094 0.011 0.000 1.054 464 V CA 1.178 63.480 62.300 0.004 0.000 1.073 464 V CB -0.502 31.323 31.823 0.004 0.000 0.699 464 V HN 0.352 nan 8.190 nan 0.000 0.463 465 K N 0.334 120.740 120.400 0.010 0.000 2.002 465 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 465 K C 2.095 178.711 176.600 0.026 0.000 1.048 465 K CA 1.604 57.901 56.287 0.016 0.000 0.930 465 K CB -0.383 32.125 32.500 0.012 0.000 0.714 465 K HN 0.355 nan 8.250 nan 0.000 0.438 466 V N 1.835 121.762 119.914 0.022 0.000 2.295 466 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 466 V C 2.176 178.303 176.094 0.054 0.000 1.049 466 V CA 1.596 63.917 62.300 0.036 0.000 1.024 466 V CB -0.514 31.317 31.823 0.013 0.000 0.648 466 V HN 0.289 nan 8.190 nan 0.000 0.447 467 I N 0.485 121.070 120.570 0.026 0.000 2.567 467 I HA -0.210 3.960 4.170 -0.000 0.000 0.257 467 I C 2.615 178.774 176.117 0.070 0.000 1.184 467 I CA 1.560 62.879 61.300 0.031 0.000 1.451 467 I CB -0.335 37.669 38.000 0.006 0.000 1.089 467 I HN 0.409 nan 8.210 nan 0.000 0.441 468 S N 0.702 116.436 115.700 0.056 0.000 2.317 468 S HA -0.137 4.333 4.470 -0.000 0.000 0.212 468 S C 1.955 176.592 174.600 0.060 0.000 1.030 468 S CA 0.858 59.088 58.200 0.050 0.000 0.970 468 S CB -0.101 63.118 63.200 0.032 0.000 0.928 468 S HN 0.276 nan 8.310 nan 0.000 0.451 469 E N 0.889 121.123 120.200 0.057 0.000 2.055 469 E HA -0.278 4.072 4.350 -0.000 0.000 0.209 469 E C 1.915 178.549 176.600 0.056 0.000 1.036 469 E CA 2.168 58.597 56.400 0.048 0.000 0.849 469 E CB -1.288 28.443 29.700 0.051 0.000 0.767 469 E HN 0.826 nan 8.360 nan 0.000 0.461 470 H N 0.761 119.834 119.070 0.006 0.000 2.357 470 H HA -0.106 4.450 4.556 -0.000 0.000 0.296 470 H C 2.082 177.414 175.328 0.006 0.000 1.108 470 H CA 2.369 58.420 56.048 0.006 0.000 1.273 470 H CB 0.096 29.861 29.762 0.006 0.000 1.367 470 H HN 0.018 nan 8.280 nan 0.000 0.498 471 K N -0.671 119.814 120.400 0.141 0.000 2.209 471 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 471 K C 1.446 178.057 176.600 0.018 0.000 1.048 471 K CA 1.326 57.664 56.287 0.085 0.000 0.940 471 K CB 0.196 32.742 32.500 0.076 0.000 0.729 471 K HN 0.459 nan 8.250 nan 0.000 0.451 472 N N 0.010 118.712 118.700 0.003 0.000 2.517 472 N HA -0.000 4.740 4.740 -0.000 0.000 0.202 472 N C 1.179 176.666 175.510 -0.038 0.000 1.042 472 N CA 0.625 53.668 53.050 -0.012 0.000 0.952 472 N CB -0.131 38.356 38.487 -0.000 0.000 1.211 472 N HN 0.029 nan 8.380 nan 0.000 0.458 473 R N 1.479 121.952 120.500 -0.044 0.000 2.369 473 R HA 0.187 4.527 4.340 -0.000 0.000 0.200 473 R C 0.800 177.032 176.300 -0.113 0.000 1.046 473 R CA 0.345 56.410 56.100 -0.059 0.000 1.057 473 R CB -0.437 29.841 30.300 -0.037 0.000 0.888 473 R HN 0.282 nan 8.270 nan 0.000 0.474 474 G N 0.872 109.564 108.800 -0.180 0.000 2.829 474 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.628 474 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.628 474 G C 0.313 174.902 174.900 -0.518 0.000 1.412 474 G CA -0.287 44.651 45.100 -0.271 0.000 0.864 474 G HN 0.194 nan 8.290 nan 0.000 0.544 475 L N 0.754 121.723 121.223 -0.423 0.000 2.151 475 L HA 0.003 4.343 4.340 -0.000 0.000 0.215 475 L C 2.645 179.467 176.870 -0.080 0.000 1.084 475 L CA 3.613 58.276 54.840 -0.294 0.000 0.764 475 L CB -0.785 41.243 42.059 -0.051 0.000 0.891 475 L HN 1.496 nan 8.230 nan 0.000 0.435 476 G N -0.494 108.259 108.800 -0.079 0.000 2.776 476 G HA2 0.029 3.988 3.960 -0.000 0.000 0.209 476 G HA3 0.029 3.988 3.960 -0.000 0.000 0.209 476 G C 0.735 175.662 174.900 0.046 0.000 1.145 476 G CA -0.085 45.017 45.100 0.003 0.000 0.791 476 G HN 0.294 nan 8.290 nan 0.000 0.530 477 I N 1.765 122.369 120.570 0.057 0.000 2.396 477 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 477 I C 0.860 177.115 176.117 0.230 0.000 1.056 477 I CA -0.423 60.957 61.300 0.132 0.000 1.365 477 I CB 0.318 38.377 38.000 0.099 0.000 1.407 477 I HN 0.017 nan 8.210 nan 0.000 0.509 478 G N 6.533 115.402 108.800 0.115 0.000 3.086 478 G HA2 0.744 4.704 3.960 -0.000 0.000 0.282 478 G HA3 0.744 4.704 3.960 -0.000 0.000 0.282 478 G C -0.871 174.055 174.900 0.042 0.000 1.343 478 G CA -0.680 44.462 45.100 0.071 0.000 0.895 478 G HN 0.378 nan 8.290 nan 0.000 0.557 479 I N 0.510 121.091 120.570 0.018 0.000 2.428 479 I HA 0.324 4.494 4.170 -0.000 0.000 0.296 479 I C -1.030 175.091 176.117 0.007 0.000 0.985 479 I CA -0.535 60.768 61.300 0.006 0.000 1.260 479 I CB 1.981 39.971 38.000 -0.016 0.000 1.389 479 I HN 0.280 nan 8.210 nan 0.000 0.484 480 D N 4.731 125.139 120.400 0.013 0.000 2.462 480 D HA 0.163 4.803 4.640 -0.000 0.000 0.245 480 D C 0.772 177.058 176.300 -0.023 0.000 1.122 480 D CA -0.602 53.416 54.000 0.031 0.000 0.864 480 D CB 1.819 42.671 40.800 0.087 0.000 1.098 480 D HN 0.364 nan 8.370 nan 0.000 0.541 481 V N 2.374 122.200 119.914 -0.148 0.000 2.688 481 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 481 V C 1.440 177.357 176.094 -0.294 0.000 1.084 481 V CA 1.277 63.413 62.300 -0.274 0.000 1.103 481 V CB -1.077 30.481 31.823 -0.442 0.000 0.688 481 V HN 0.357 nan 8.190 nan 0.000 0.480 482 F N 0.573 120.522 119.950 -0.002 0.000 2.335 482 F HA 0.243 4.770 4.527 -0.000 0.000 0.296 482 F C 2.412 178.211 175.800 -0.002 0.000 1.091 482 F CA 1.363 59.361 58.000 -0.003 0.000 1.399 482 F CB -0.348 38.650 39.000 -0.003 0.000 1.067 482 F HN 0.208 nan 8.300 nan 0.000 0.520 483 E N -0.135 120.164 120.200 0.166 0.000 2.250 483 E HA 0.154 4.503 4.350 -0.000 0.000 0.192 483 E C 1.681 178.310 176.600 0.049 0.000 0.986 483 E CA 0.787 57.244 56.400 0.095 0.000 0.849 483 E CB -0.169 29.579 29.700 0.080 0.000 0.797 483 E HN 0.234 nan 8.360 nan 0.000 0.482 484 G N 1.205 110.019 108.800 0.024 0.000 2.221 484 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.265 484 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.265 484 G C -0.168 174.735 174.900 0.005 0.000 1.041 484 G CA 1.053 46.154 45.100 0.001 0.000 0.807 484 G HN 0.414 nan 8.290 nan 0.000 0.502 485 K N -2.722 117.685 120.400 0.011 0.000 2.711 485 K HA 0.599 4.919 4.320 -0.000 0.000 0.294 485 K C -3.541 173.070 176.600 0.019 0.000 1.037 485 K CA -1.976 54.319 56.287 0.013 0.000 0.858 485 K CB 0.600 33.110 32.500 0.017 0.000 1.521 485 K HN -0.054 nan 8.250 nan 0.000 0.386 486 P HA 0.322 nan 4.420 nan 0.000 0.272 486 P C -1.262 176.058 177.300 0.033 0.000 1.223 486 P CA -0.233 62.885 63.100 0.029 0.000 0.784 486 P CB 1.152 32.871 31.700 0.033 0.000 0.923 487 A N 0.952 123.795 122.820 0.039 0.000 2.588 487 A HA 0.453 4.773 4.320 -0.000 0.000 0.290 487 A C -1.425 176.182 177.584 0.038 0.000 1.136 487 A CA -0.476 51.583 52.037 0.036 0.000 0.681 487 A CB 0.956 19.981 19.000 0.041 0.000 1.282 487 A HN 0.455 nan 8.150 nan 0.000 0.421 488 D N 1.575 121.992 120.400 0.028 0.000 2.347 488 D HA 0.253 4.893 4.640 -0.000 0.000 0.235 488 D C 0.868 177.185 176.300 0.029 0.000 1.149 488 D CA -0.430 53.583 54.000 0.023 0.000 0.850 488 D CB 0.699 41.504 40.800 0.009 0.000 1.061 488 D HN 0.359 nan 8.370 nan 0.000 0.487 489 M N 3.383 123.005 119.600 0.037 0.000 2.213 489 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 489 M C 1.703 178.021 176.300 0.029 0.000 1.062 489 M CA 0.738 56.061 55.300 0.039 0.000 1.105 489 M CB -0.567 32.061 32.600 0.046 0.000 1.385 489 M HN 0.416 nan 8.290 nan 0.000 0.417 490 L N 0.552 121.788 121.223 0.022 0.000 1.989 490 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 490 L C 2.338 179.215 176.870 0.011 0.000 1.071 490 L CA 1.850 56.698 54.840 0.014 0.000 0.749 490 L CB -1.235 40.829 42.059 0.008 0.000 0.890 490 L HN 0.370 nan 8.230 nan 0.000 0.431 491 E N -0.589 119.616 120.200 0.010 0.000 2.160 491 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 491 E C 1.726 178.332 176.600 0.009 0.000 0.991 491 E CA 0.884 57.288 56.400 0.008 0.000 0.810 491 E CB -0.093 29.612 29.700 0.007 0.000 0.742 491 E HN 0.354 nan 8.360 nan 0.000 0.466 492 K N -0.600 119.809 120.400 0.016 0.000 2.459 492 K HA 0.045 4.365 4.320 -0.000 0.000 0.193 492 K C 1.438 178.046 176.600 0.014 0.000 1.030 492 K CA 0.810 57.107 56.287 0.017 0.000 1.026 492 K CB 0.499 33.019 32.500 0.034 0.000 0.809 492 K HN 0.308 nan 8.250 nan 0.000 0.504 493 G N 1.904 110.712 108.800 0.014 0.000 2.184 493 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 493 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 493 G C 0.256 175.167 174.900 0.018 0.000 0.975 493 G CA 0.148 45.255 45.100 0.011 0.000 0.642 493 G HN 0.336 nan 8.290 nan 0.000 0.536 494 I N 2.236 122.824 120.570 0.030 0.000 2.389 494 I HA 0.433 4.603 4.170 -0.000 0.000 0.295 494 I C 0.966 177.105 176.117 0.036 0.000 1.117 494 I CA 0.028 61.354 61.300 0.042 0.000 1.317 494 I CB -0.229 37.811 38.000 0.066 0.000 1.431 494 I HN 0.373 nan 8.210 nan 0.000 0.521 495 I N 3.695 124.283 120.570 0.029 0.000 3.279 495 I HA 0.708 4.878 4.170 -0.000 0.000 0.315 495 I C -0.996 175.133 176.117 0.020 0.000 1.187 495 I CA -0.861 60.453 61.300 0.023 0.000 0.953 495 I CB 2.416 40.426 38.000 0.017 0.000 1.279 495 I HN 0.464 nan 8.210 nan 0.000 0.465 496 E N 0.971 121.181 120.200 0.016 0.000 2.416 496 E HA 0.617 4.967 4.350 -0.000 0.000 0.273 496 E C -3.107 173.497 176.600 0.008 0.000 0.935 496 E CA -2.279 54.129 56.400 0.012 0.000 0.784 496 E CB 2.030 31.738 29.700 0.013 0.000 1.301 496 E HN 0.266 nan 8.360 nan 0.000 0.454 497 P HA -0.039 nan 4.420 nan 0.000 0.269 497 P C 0.724 178.026 177.300 0.004 0.000 1.209 497 P CA -0.442 62.659 63.100 0.002 0.000 0.776 497 P CB 0.516 32.217 31.700 0.001 0.000 0.876 498 L N 3.683 124.907 121.223 0.002 0.000 2.456 498 L HA -0.070 4.270 4.340 -0.000 0.000 0.224 498 L C 1.723 178.596 176.870 0.004 0.000 1.148 498 L CA 1.770 56.612 54.840 0.004 0.000 0.825 498 L CB -0.780 41.281 42.059 0.002 0.000 0.937 498 L HN 0.420 nan 8.230 nan 0.000 0.450 499 R N -0.800 119.702 120.500 0.004 0.000 2.080 499 R HA -0.058 4.282 4.340 -0.000 0.000 0.222 499 R C 2.193 178.497 176.300 0.006 0.000 1.107 499 R CA 1.173 57.276 56.100 0.006 0.000 0.980 499 R CB -0.020 30.284 30.300 0.006 0.000 0.879 499 R HN 0.270 nan 8.270 nan 0.000 0.439 500 V N 2.081 121.999 119.914 0.006 0.000 2.252 500 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 500 V C 2.311 178.408 176.094 0.005 0.000 1.056 500 V CA 1.865 64.168 62.300 0.005 0.000 1.022 500 V CB -0.374 31.451 31.823 0.005 0.000 0.641 500 V HN 0.297 nan 8.190 nan 0.000 0.445 501 K N -0.072 120.332 120.400 0.005 0.000 2.097 501 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 501 K C 2.120 178.726 176.600 0.010 0.000 1.050 501 K CA 1.150 57.441 56.287 0.006 0.000 0.938 501 K CB -0.336 32.169 32.500 0.007 0.000 0.718 501 K HN 0.443 nan 8.250 nan 0.000 0.442 502 K N 0.549 120.955 120.400 0.010 0.000 2.148 502 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 502 K C 2.192 178.801 176.600 0.016 0.000 1.050 502 K CA 1.071 57.365 56.287 0.013 0.000 0.942 502 K CB 0.092 32.596 32.500 0.008 0.000 0.724 502 K HN -0.025 nan 8.250 nan 0.000 0.446 503 Q N 0.628 120.436 119.800 0.013 0.000 2.062 503 Q HA 0.030 4.370 4.340 -0.000 0.000 0.196 503 Q C 1.830 177.838 176.000 0.013 0.000 0.967 503 Q CA 1.592 57.403 55.803 0.013 0.000 0.832 503 Q CB -0.241 28.503 28.738 0.010 0.000 0.899 503 Q HN 0.241 nan 8.270 nan 0.000 0.442 504 A N 0.882 123.706 122.820 0.007 0.000 1.927 504 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 504 A C 1.923 179.509 177.584 0.003 0.000 1.185 504 A CA 1.811 53.848 52.037 -0.001 0.000 0.639 504 A CB -0.848 18.147 19.000 -0.008 0.000 0.820 504 A HN 0.457 nan 8.150 nan 0.000 0.451 505 I N -0.203 120.379 120.570 0.021 0.000 2.163 505 I HA -0.206 3.963 4.170 -0.000 0.000 0.240 505 I C 2.316 178.473 176.117 0.067 0.000 1.081 505 I CA 1.650 62.982 61.300 0.053 0.000 1.353 505 I CB -1.430 36.621 38.000 0.086 0.000 1.054 505 I HN 0.377 nan 8.210 nan 0.000 0.407 506 K N 0.687 121.118 120.400 0.051 0.000 1.987 506 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 506 K C 2.333 178.960 176.600 0.046 0.000 1.051 506 K CA 2.012 58.329 56.287 0.051 0.000 0.942 506 K CB -0.371 32.150 32.500 0.034 0.000 0.722 506 K HN 0.132 nan 8.250 nan 0.000 0.444 507 S N 0.769 116.487 115.700 0.029 0.000 2.389 507 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 507 S C 2.142 176.755 174.600 0.022 0.000 1.048 507 S CA 1.764 59.977 58.200 0.022 0.000 1.117 507 S CB -0.537 62.670 63.200 0.011 0.000 1.020 507 S HN 0.521 nan 8.310 nan 0.000 0.430 508 A N 1.451 124.275 122.820 0.006 0.000 1.865 508 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 508 A C 2.421 180.011 177.584 0.010 0.000 1.191 508 A CA 2.562 54.591 52.037 -0.014 0.000 0.623 508 A CB -1.256 17.706 19.000 -0.064 0.000 0.826 508 A HN 0.699 nan 8.150 nan 0.000 0.444 509 S N -0.184 115.543 115.700 0.045 0.000 2.399 509 S HA -0.197 4.272 4.470 -0.000 0.000 0.231 509 S C 1.680 176.367 174.600 0.146 0.000 1.022 509 S CA 1.441 59.723 58.200 0.137 0.000 0.983 509 S CB -0.507 62.858 63.200 0.275 0.000 0.803 509 S HN 0.636 nan 8.310 nan 0.000 0.480 510 E N 1.913 122.172 120.200 0.099 0.000 2.028 510 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 510 E C 2.603 179.248 176.600 0.076 0.000 0.988 510 E CA 1.116 57.566 56.400 0.084 0.000 0.799 510 E CB -0.592 29.143 29.700 0.059 0.000 0.755 510 E HN 0.678 nan 8.360 nan 0.000 0.447 511 A N 1.965 124.820 122.820 0.058 0.000 1.892 511 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 511 A C 2.474 180.095 177.584 0.061 0.000 1.188 511 A CA 2.291 54.356 52.037 0.047 0.000 0.631 511 A CB -0.789 18.229 19.000 0.030 0.000 0.822 511 A HN 0.297 nan 8.150 nan 0.000 0.447 512 A N 0.003 122.873 122.820 0.083 0.000 1.865 512 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 512 A C 2.128 179.789 177.584 0.128 0.000 1.191 512 A CA 1.698 53.808 52.037 0.121 0.000 0.623 512 A CB -0.724 18.394 19.000 0.196 0.000 0.826 512 A HN 0.530 nan 8.150 nan 0.000 0.444 513 I N -0.779 119.886 120.570 0.158 0.000 2.361 513 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 513 I C 2.699 178.859 176.117 0.072 0.000 1.133 513 I CA 1.652 63.027 61.300 0.124 0.000 1.413 513 I CB -0.350 37.736 38.000 0.143 0.000 1.073 513 I HN 0.500 nan 8.210 nan 0.000 0.424 514 M N 1.021 120.660 119.600 0.065 0.000 2.117 514 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 514 M C 2.338 178.659 176.300 0.035 0.000 1.065 514 M CA 2.007 57.334 55.300 0.045 0.000 1.114 514 M CB 0.005 32.629 32.600 0.040 0.000 1.361 514 M HN 0.124 nan 8.290 nan 0.000 0.408 515 I N 0.462 121.053 120.570 0.036 0.000 2.202 515 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 515 I C 2.189 178.314 176.117 0.013 0.000 1.091 515 I CA 1.119 62.434 61.300 0.025 0.000 1.368 515 I CB -0.567 37.449 38.000 0.026 0.000 1.058 515 I HN 0.341 nan 8.210 nan 0.000 0.410 516 L N 0.414 121.643 121.223 0.009 0.000 2.263 516 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 516 L C 2.544 179.409 176.870 -0.008 0.000 1.111 516 L CA 1.230 56.061 54.840 -0.016 0.000 0.773 516 L CB -0.562 41.473 42.059 -0.041 0.000 0.906 516 L HN 0.237 nan 8.230 nan 0.000 0.439 517 R N -0.278 120.229 120.500 0.011 0.000 2.210 517 R HA 0.164 4.504 4.340 -0.000 0.000 0.203 517 R C 0.585 176.893 176.300 0.014 0.000 1.010 517 R CA 0.178 56.288 56.100 0.017 0.000 1.008 517 R CB 0.136 30.453 30.300 0.028 0.000 0.923 517 R HN 0.267 nan 8.270 nan 0.000 0.469 518 I N 3.215 123.792 120.570 0.013 0.000 2.363 518 I HA -0.047 4.123 4.170 -0.000 0.000 0.292 518 I C 0.741 176.865 176.117 0.011 0.000 1.075 518 I CA 0.042 61.351 61.300 0.015 0.000 1.333 518 I CB 0.722 38.732 38.000 0.018 0.000 1.415 518 I HN 0.104 nan 8.210 nan 0.000 0.502 519 D N 4.560 124.968 120.400 0.013 0.000 2.368 519 D HA 0.059 4.699 4.640 -0.000 0.000 0.218 519 D C -0.237 176.079 176.300 0.028 0.000 1.112 519 D CA 0.036 54.042 54.000 0.010 0.000 0.834 519 D CB 0.368 41.167 40.800 -0.002 0.000 0.953 519 D HN 0.493 nan 8.370 nan 0.000 0.505 520 D N -0.254 120.170 120.400 0.039 0.000 2.726 520 D HA 0.207 4.847 4.640 -0.000 0.000 0.203 520 D C -1.715 174.624 176.300 0.064 0.000 1.297 520 D CA -0.526 53.508 54.000 0.056 0.000 0.863 520 D CB 1.819 42.642 40.800 0.037 0.000 1.669 520 D HN -0.187 nan 8.370 nan 0.000 0.561 521 V N 4.674 124.654 119.914 0.110 0.000 2.459 521 V HA 0.612 4.732 4.120 -0.000 0.000 0.295 521 V C 0.106 176.274 176.094 0.124 0.000 1.029 521 V CA -0.582 61.781 62.300 0.106 0.000 0.874 521 V CB 1.683 33.573 31.823 0.112 0.000 0.985 521 V HN 0.541 nan 8.190 nan 0.000 0.438 522 I N 4.262 124.874 120.570 0.069 0.000 2.493 522 I HA 0.685 4.855 4.170 -0.000 0.000 0.279 522 I C 0.031 176.169 176.117 0.034 0.000 1.045 522 I CA -0.344 60.986 61.300 0.050 0.000 1.106 522 I CB 1.590 39.605 38.000 0.025 0.000 1.216 522 I HN 0.667 nan 8.210 nan 0.000 0.459 523 A N 3.753 126.600 122.820 0.045 0.000 2.337 523 A HA 0.902 5.222 4.320 -0.000 0.000 0.331 523 A C 0.532 178.127 177.584 0.018 0.000 1.137 523 A CA -0.125 51.925 52.037 0.023 0.000 0.807 523 A CB 1.726 20.736 19.000 0.017 0.000 1.250 523 A HN 0.781 nan 8.150 nan 0.000 0.468 524 A N 0.789 123.613 122.820 0.007 0.000 1.993 524 A HA 0.397 4.716 4.320 -0.000 0.000 0.207 524 A C 0.552 178.140 177.584 0.007 0.000 1.224 524 A CA 0.702 52.743 52.037 0.005 0.000 0.749 524 A CB 0.249 19.250 19.000 0.001 0.000 0.884 524 A HN 0.464 nan 8.150 nan 0.000 0.467 525 K N -0.218 120.185 120.400 0.004 0.000 2.984 525 K HA 0.642 4.962 4.320 -0.000 0.000 0.211 525 K C -1.035 175.567 176.600 0.003 0.000 1.174 525 K CA 0.505 56.796 56.287 0.005 0.000 0.978 525 K CB 0.706 33.208 32.500 0.003 0.000 1.212 525 K HN 0.441 nan 8.250 nan 0.000 0.589 526 A N 0.000 122.824 122.820 0.006 0.000 2.254 526 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 526 A CA 0.000 52.038 52.037 0.001 0.000 0.836 526 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486