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 2gp6_1_B DATA FIRST_RESID 3 DATA SEQUENCE HMVTGKAFPY VVVTGIAMTT ALATDAETTW KLLLDRQSGI RTLDDPFVEE DATA SEQUENCE FDLPVRIGGH LLEEFDHQLT RIELRRMGYL QRMSTVLSRR LWENAGSPEV DATA SEQUENCE DTNRLMVSIG TGLGSAEELV FSYDDMRARG MKAVSPLTVQ KYMPNGAAAA DATA SEQUENCE VGLERHAKAG VMTPVSACAS GAEAIARAWQ QIVLGEADAA ICGGVETRIE DATA SEQUENCE AVPIAGFAQM RIVMSTNNDD PAGACRPFDR DRDGFVFGEG GALLLIETEE DATA SEQUENCE HAKARGANIL ARIMGASITS DGFHMVAPDP NGERAGHAIT RAIQLAGLAP DATA SEQUENCE GDIDHVNAHA TGTQVGDLAE GRAINNALGG NRPAVYAPKS ALGHSVGAVG DATA SEQUENCE AVESILTVLA LRDQVIPPTL NLVNLDPEID LDVVAGEPRP GNYRYAINNS DATA SEQUENCE FGFGGHNVAI AFGRY 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.229 175.328 -0.165 0.000 0.993 3 H CA 0.000 55.995 56.048 -0.088 0.000 1.023 3 H CB 0.000 29.720 29.762 -0.070 0.000 1.292 4 M N 4.949 124.431 119.600 -0.198 0.000 2.114 4 M HA 0.538 5.019 4.480 0.002 0.000 0.332 4 M C -0.729 175.303 176.300 -0.447 0.000 1.014 4 M CA -0.759 54.275 55.300 -0.443 0.000 0.956 4 M CB 2.131 34.417 32.600 -0.523 0.000 1.551 4 M HN 0.124 nan 8.290 nan 0.000 0.427 5 V N 1.451 121.103 119.914 -0.437 0.000 3.114 5 V HA 0.295 4.416 4.120 0.002 0.000 0.308 5 V C 0.788 176.826 176.094 -0.093 0.000 1.168 5 V CA -0.503 61.715 62.300 -0.136 0.000 1.015 5 V CB 2.509 34.343 31.823 0.018 0.000 1.050 5 V HN 0.905 nan 8.190 nan 0.000 0.433 6 T N 2.228 116.867 114.554 0.142 0.000 2.721 6 T HA -0.171 4.180 4.350 0.002 0.000 0.268 6 T C 1.675 176.177 174.700 -0.330 0.000 1.038 6 T CA 2.208 64.346 62.100 0.064 0.000 1.145 6 T CB -0.223 68.652 68.868 0.010 0.000 0.858 6 T HN 0.971 nan 8.240 nan 0.000 0.459 7 G N 1.515 110.169 108.800 -0.245 0.000 2.426 7 G HA2 -0.059 3.903 3.960 0.002 0.000 0.214 7 G HA3 -0.059 3.903 3.960 0.002 0.000 0.214 7 G C 1.453 176.323 174.900 -0.050 0.000 1.156 7 G CA 0.802 45.798 45.100 -0.173 0.000 0.802 7 G HN 0.617 nan 8.290 nan 0.000 0.534 8 K N -0.066 120.287 120.400 -0.079 0.000 2.230 8 K HA 0.557 4.878 4.320 0.002 0.000 0.219 8 K C 2.625 179.148 176.600 -0.130 0.000 1.033 8 K CA 0.656 56.898 56.287 -0.076 0.000 0.937 8 K CB -0.424 32.029 32.500 -0.078 0.000 1.018 8 K HN 0.003 nan 8.250 nan 0.000 0.463 9 A N 0.848 123.500 122.820 -0.280 0.000 1.969 9 A HA 0.121 4.443 4.320 0.002 0.000 0.218 9 A C 0.237 177.651 177.584 -0.283 0.000 1.169 9 A CA 0.766 52.562 52.037 -0.401 0.000 0.635 9 A CB -0.509 18.050 19.000 -0.736 0.000 0.810 9 A HN 0.279 nan 8.150 nan 0.000 0.445 10 F N -0.874 119.032 119.950 -0.073 0.000 2.541 10 F HA 0.562 5.091 4.527 0.003 0.000 0.331 10 F C -2.321 173.396 175.800 -0.137 0.000 1.057 10 F CA -3.452 54.471 58.000 -0.128 0.000 0.975 10 F CB 0.906 39.802 39.000 -0.172 0.000 1.246 10 F HN -0.136 nan 8.300 nan 0.000 0.484 11 P HA 0.218 nan 4.420 nan 0.000 0.281 11 P C -1.507 175.823 177.300 0.050 0.000 1.264 11 P CA -0.354 62.793 63.100 0.078 0.000 0.824 11 P CB 0.851 32.596 31.700 0.075 0.000 1.092 12 Y N -0.459 119.917 120.300 0.127 0.000 2.359 12 Y HA 0.249 4.798 4.550 -0.002 0.000 0.334 12 Y C 0.776 176.756 175.900 0.132 0.000 1.058 12 Y CA 0.065 58.260 58.100 0.158 0.000 1.244 12 Y CB 0.622 39.177 38.460 0.159 0.000 1.187 12 Y HN 0.000 nan 8.280 nan 0.000 0.510 13 V N 4.627 124.714 119.914 0.288 0.000 2.732 13 V HA 0.758 4.880 4.120 0.002 0.000 0.310 13 V C -0.236 175.978 176.094 0.200 0.000 1.053 13 V CA -0.933 61.489 62.300 0.203 0.000 0.957 13 V CB 1.678 33.619 31.823 0.197 0.000 1.018 13 V HN 0.592 nan 8.190 nan 0.000 0.452 14 V N 0.806 120.786 119.914 0.110 0.000 3.159 14 V HA 0.758 4.879 4.120 0.002 0.000 0.308 14 V C -0.724 175.384 176.094 0.024 0.000 1.190 14 V CA -0.878 61.458 62.300 0.060 0.000 1.037 14 V CB 1.972 33.755 31.823 -0.066 0.000 1.060 14 V HN 0.496 nan 8.190 nan 0.000 0.437 15 V N 2.272 122.197 119.914 0.019 0.000 2.432 15 V HA 0.477 4.598 4.120 0.002 0.000 0.275 15 V C 1.314 177.363 176.094 -0.074 0.000 1.043 15 V CA 0.701 63.000 62.300 -0.002 0.000 0.925 15 V CB 1.024 32.862 31.823 0.025 0.000 0.985 15 V HN 1.223 nan 8.190 nan 0.000 0.466 16 T N 0.283 114.783 114.554 -0.090 0.000 2.975 16 T HA 0.434 4.785 4.350 0.002 0.000 0.257 16 T C 0.577 175.203 174.700 -0.123 0.000 1.003 16 T CA 0.420 62.447 62.100 -0.121 0.000 0.932 16 T CB 0.698 69.483 68.868 -0.140 0.000 1.087 16 T HN 0.941 nan 8.240 nan 0.000 0.512 17 G N 0.744 109.478 108.800 -0.110 0.000 2.698 17 G HA2 0.621 4.583 3.960 0.002 0.000 0.293 17 G HA3 0.621 4.583 3.960 0.002 0.000 0.293 17 G C -1.998 172.855 174.900 -0.079 0.000 1.437 17 G CA -0.650 44.388 45.100 -0.103 0.000 0.852 17 G HN 0.151 nan 8.290 nan 0.000 0.499 18 I N 0.045 120.574 120.570 -0.069 0.000 2.828 18 I HA 0.858 5.029 4.170 0.002 0.000 0.302 18 I C -0.154 175.942 176.117 -0.036 0.000 1.101 18 I CA -1.202 60.061 61.300 -0.061 0.000 1.031 18 I CB 1.811 39.757 38.000 -0.089 0.000 1.231 18 I HN 1.005 nan 8.210 nan 0.000 0.427 19 A N 6.773 129.578 122.820 -0.025 0.000 2.511 19 A HA 0.731 5.052 4.320 0.002 0.000 0.292 19 A C -1.015 176.570 177.584 0.001 0.000 1.045 19 A CA -0.523 51.512 52.037 -0.003 0.000 0.870 19 A CB 1.341 20.346 19.000 0.007 0.000 1.361 19 A HN 0.777 nan 8.150 nan 0.000 0.396 20 M N 0.648 120.258 119.600 0.018 0.000 2.534 20 M HA 0.796 5.278 4.480 0.002 0.000 0.280 20 M C -1.293 175.044 176.300 0.061 0.000 1.217 20 M CA -0.270 55.048 55.300 0.030 0.000 0.893 20 M CB 2.161 34.773 32.600 0.021 0.000 1.730 20 M HN 0.593 nan 8.290 nan 0.000 0.483 21 T N 2.118 116.721 114.554 0.082 0.000 2.815 21 T HA 0.757 5.108 4.350 0.002 0.000 0.289 21 T C -0.550 174.218 174.700 0.112 0.000 1.000 21 T CA 0.122 62.292 62.100 0.117 0.000 0.958 21 T CB 0.881 69.866 68.868 0.195 0.000 0.944 21 T HN 0.970 nan 8.240 nan 0.000 0.442 22 T N 1.704 116.319 114.554 0.102 0.000 2.724 22 T HA 0.759 5.111 4.350 0.002 0.000 0.274 22 T C 1.596 176.359 174.700 0.105 0.000 0.984 22 T CA -0.188 61.973 62.100 0.102 0.000 1.024 22 T CB 0.851 69.776 68.868 0.095 0.000 1.320 22 T HN 0.429 nan 8.240 nan 0.000 0.555 23 A N -0.128 122.759 122.820 0.113 0.000 1.872 23 A HA 0.200 4.521 4.320 0.002 0.000 0.214 23 A C 2.303 179.954 177.584 0.111 0.000 1.187 23 A CA 0.935 53.050 52.037 0.131 0.000 0.614 23 A CB -1.273 17.811 19.000 0.139 0.000 0.826 23 A HN 0.746 nan 8.150 nan 0.000 0.442 24 L N -0.939 120.341 121.223 0.095 0.000 1.955 24 L HA -0.028 4.313 4.340 0.002 0.000 0.213 24 L C 1.540 178.454 176.870 0.073 0.000 1.072 24 L CA 1.133 56.021 54.840 0.081 0.000 0.755 24 L CB -0.484 41.623 42.059 0.079 0.000 0.888 24 L HN 0.479 nan 8.230 nan 0.000 0.432 25 A N -1.986 120.880 122.820 0.078 0.000 2.387 25 A HA 0.404 4.725 4.320 0.002 0.000 0.303 25 A C 0.448 178.074 177.584 0.070 0.000 1.145 25 A CA -0.218 51.860 52.037 0.069 0.000 0.801 25 A CB 1.340 20.385 19.000 0.075 0.000 1.342 25 A HN 0.033 nan 8.150 nan 0.000 0.440 26 T N -0.333 114.257 114.554 0.061 0.000 3.129 26 T HA 0.212 4.564 4.350 0.002 0.000 0.251 26 T C -0.086 174.660 174.700 0.077 0.000 1.117 26 T CA 1.045 63.184 62.100 0.065 0.000 1.034 26 T CB -0.914 67.984 68.868 0.050 0.000 0.968 26 T HN 0.861 nan 8.240 nan 0.000 0.526 27 D N -1.837 118.607 120.400 0.072 0.000 2.570 27 D HA 0.648 5.289 4.640 0.002 0.000 0.244 27 D C 1.047 177.388 176.300 0.068 0.000 1.178 27 D CA -0.463 53.577 54.000 0.067 0.000 0.881 27 D CB 0.863 41.698 40.800 0.058 0.000 1.453 27 D HN -0.150 nan 8.370 nan 0.000 0.447 28 A N 0.428 123.278 122.820 0.050 0.000 1.877 28 A HA -0.175 4.147 4.320 0.002 0.000 0.216 28 A C 1.970 179.597 177.584 0.071 0.000 1.186 28 A CA 1.838 53.901 52.037 0.043 0.000 0.620 28 A CB -0.973 18.021 19.000 -0.009 0.000 0.822 28 A HN 0.670 nan 8.150 nan 0.000 0.443 29 E N -0.488 119.747 120.200 0.059 0.000 2.051 29 E HA -0.105 4.246 4.350 0.002 0.000 0.192 29 E C 2.181 178.871 176.600 0.150 0.000 0.991 29 E CA 1.935 58.390 56.400 0.092 0.000 0.799 29 E CB -0.557 29.178 29.700 0.058 0.000 0.748 29 E HN 0.560 nan 8.360 nan 0.000 0.449 30 T N -0.409 114.211 114.554 0.110 0.000 2.746 30 T HA -0.125 4.226 4.350 0.002 0.000 0.267 30 T C 1.852 176.625 174.700 0.122 0.000 1.039 30 T CA 1.712 63.873 62.100 0.102 0.000 1.142 30 T CB -0.609 68.303 68.868 0.072 0.000 0.866 30 T HN 0.209 nan 8.240 nan 0.000 0.444 31 T N 1.000 115.635 114.554 0.135 0.000 2.699 31 T HA -0.158 4.193 4.350 0.002 0.000 0.268 31 T C 1.492 176.317 174.700 0.210 0.000 1.036 31 T CA 1.152 63.341 62.100 0.149 0.000 1.147 31 T CB -0.405 68.550 68.868 0.146 0.000 0.862 31 T HN 0.562 nan 8.240 nan 0.000 0.446 32 W N 2.110 123.422 121.300 0.020 0.000 2.335 32 W HA -0.190 4.471 4.660 0.003 0.000 0.311 32 W C 1.987 178.510 176.519 0.006 0.000 1.213 32 W CA 1.240 58.592 57.345 0.012 0.000 1.274 32 W CB -0.128 29.332 29.460 0.000 0.000 1.148 32 W HN 0.283 nan 8.180 nan 0.000 0.498 33 K N 0.335 120.795 120.400 0.099 0.000 2.009 33 K HA -0.210 4.111 4.320 0.002 0.000 0.210 33 K C 2.012 178.564 176.600 -0.080 0.000 1.049 33 K CA 2.026 58.288 56.287 -0.042 0.000 0.929 33 K CB -0.878 31.643 32.500 0.034 0.000 0.714 33 K HN 0.232 nan 8.250 nan 0.000 0.440 34 L N 0.946 122.162 121.223 -0.013 0.000 2.127 34 L HA -0.189 4.152 4.340 0.002 0.000 0.211 34 L C 2.384 179.229 176.870 -0.042 0.000 1.089 34 L CA 0.948 55.780 54.840 -0.013 0.000 0.757 34 L CB -0.476 41.599 42.059 0.027 0.000 0.899 34 L HN 0.194 nan 8.230 nan 0.000 0.434 35 L N -0.550 120.635 121.223 -0.063 0.000 2.056 35 L HA -0.183 4.158 4.340 0.002 0.000 0.207 35 L C 2.374 179.123 176.870 -0.202 0.000 1.078 35 L CA 1.059 55.848 54.840 -0.085 0.000 0.749 35 L CB -0.191 41.842 42.059 -0.042 0.000 0.901 35 L HN 0.258 nan 8.230 nan 0.000 0.433 36 L N -0.812 120.198 121.223 -0.355 0.000 2.376 36 L HA -0.137 4.204 4.340 0.002 0.000 0.219 36 L C 1.223 177.967 176.870 -0.209 0.000 1.133 36 L CA 0.471 55.085 54.840 -0.377 0.000 0.816 36 L CB -0.277 41.477 42.059 -0.509 0.000 0.933 36 L HN 0.191 nan 8.230 nan 0.000 0.449 37 D N 0.520 120.832 120.400 -0.146 0.000 2.342 37 D HA 0.040 4.681 4.640 0.002 0.000 0.221 37 D C 0.167 176.433 176.300 -0.058 0.000 1.101 37 D CA -0.122 53.825 54.000 -0.088 0.000 0.837 37 D CB 0.161 40.923 40.800 -0.064 0.000 0.938 37 D HN -0.011 nan 8.370 nan 0.000 0.508 38 R N 0.390 120.854 120.500 -0.059 0.000 3.209 38 R HA -0.192 4.149 4.340 0.002 0.000 0.252 38 R C -0.587 175.709 176.300 -0.008 0.000 0.958 38 R CA 0.503 56.588 56.100 -0.025 0.000 0.651 38 R CB -1.741 28.546 30.300 -0.021 0.000 1.142 38 R HN 0.408 nan 8.270 nan 0.000 0.441 39 Q N -0.095 119.704 119.800 -0.002 0.000 2.342 39 Q HA 0.478 4.819 4.340 0.002 0.000 0.267 39 Q C -0.300 175.714 176.000 0.024 0.000 1.038 39 Q CA -0.561 55.248 55.803 0.010 0.000 0.832 39 Q CB 2.615 31.358 28.738 0.009 0.000 1.323 39 Q HN 0.178 nan 8.270 nan 0.000 0.448 40 S N 0.077 115.792 115.700 0.025 0.000 2.687 40 S HA 0.623 5.095 4.470 0.002 0.000 0.283 40 S C 0.489 175.113 174.600 0.038 0.000 1.170 40 S CA -0.141 58.077 58.200 0.030 0.000 1.008 40 S CB 0.977 64.189 63.200 0.020 0.000 1.026 40 S HN 0.785 nan 8.310 nan 0.000 0.541 41 G N 1.926 110.754 108.800 0.046 0.000 3.519 41 G HA2 0.310 4.271 3.960 0.002 0.000 0.269 41 G HA3 0.310 4.271 3.960 0.002 0.000 0.269 41 G C 0.009 174.939 174.900 0.050 0.000 1.028 41 G CA -0.263 44.875 45.100 0.064 0.000 0.809 41 G HN 0.618 nan 8.290 nan 0.000 0.521 42 I N 0.509 121.090 120.570 0.019 0.000 2.499 42 I HA 0.582 4.753 4.170 0.002 0.000 0.296 42 I C 0.405 176.492 176.117 -0.050 0.000 0.992 42 I CA -0.659 60.629 61.300 -0.020 0.000 1.297 42 I CB 1.575 39.571 38.000 -0.007 0.000 1.410 42 I HN -0.002 nan 8.210 nan 0.000 0.507 43 R N 1.755 122.184 120.500 -0.118 0.000 2.810 43 R HA 0.399 4.741 4.340 0.002 0.000 0.266 43 R C -1.160 175.062 176.300 -0.130 0.000 1.061 43 R CA -0.902 55.124 56.100 -0.124 0.000 0.943 43 R CB 1.271 31.481 30.300 -0.150 0.000 1.237 43 R HN 0.426 nan 8.270 nan 0.000 0.459 44 T N 2.059 116.557 114.554 -0.094 0.000 2.817 44 T HA 0.078 4.429 4.350 0.002 0.000 0.295 44 T C -0.053 174.595 174.700 -0.086 0.000 0.958 44 T CA -0.173 61.885 62.100 -0.070 0.000 1.157 44 T CB 0.144 68.984 68.868 -0.046 0.000 0.898 44 T HN 0.190 nan 8.240 nan 0.000 0.536 45 L N 4.681 125.864 121.223 -0.067 0.000 2.574 45 L HA 0.143 4.484 4.340 0.002 0.000 0.281 45 L C -0.095 176.741 176.870 -0.056 0.000 1.212 45 L CA 0.069 54.879 54.840 -0.050 0.000 1.082 45 L CB -0.634 41.422 42.059 -0.005 0.000 1.362 45 L HN 0.448 nan 8.230 nan 0.000 0.451 46 D N 4.207 124.574 120.400 -0.056 0.000 2.365 46 D HA 0.363 5.005 4.640 0.002 0.000 0.237 46 D C -0.827 175.387 176.300 -0.144 0.000 1.190 46 D CA 0.238 54.190 54.000 -0.080 0.000 0.867 46 D CB 0.452 41.226 40.800 -0.043 0.000 1.050 46 D HN 0.495 nan 8.370 nan 0.000 0.491 47 D N 2.349 122.594 120.400 -0.259 0.000 2.648 47 D HA 0.085 4.727 4.640 0.002 0.000 0.244 47 D C -2.001 173.955 176.300 -0.574 0.000 1.244 47 D CA -1.097 52.586 54.000 -0.528 0.000 0.772 47 D CB 2.551 42.833 40.800 -0.865 0.000 1.379 47 D HN 0.088 nan 8.370 nan 0.000 0.428 48 P HA -0.046 nan 4.420 nan 0.000 0.222 48 P C 1.180 178.219 177.300 -0.435 0.000 1.153 48 P CA 0.898 63.712 63.100 -0.476 0.000 0.798 48 P CB -0.043 31.477 31.700 -0.300 0.000 0.796 49 F N -2.123 117.824 119.950 -0.005 0.000 2.765 49 F HA 0.258 4.787 4.527 0.002 0.000 0.302 49 F C 1.409 177.291 175.800 0.137 0.000 1.111 49 F CA -0.258 57.852 58.000 0.184 0.000 1.359 49 F CB -1.116 38.016 39.000 0.219 0.000 1.097 49 F HN -0.311 nan 8.300 nan 0.000 0.577 50 V N -0.930 118.986 119.914 0.004 0.000 3.029 50 V HA 0.069 4.190 4.120 0.002 0.000 0.230 50 V C 2.040 178.115 176.094 -0.031 0.000 1.254 50 V CA 0.468 62.806 62.300 0.063 0.000 1.276 50 V CB -0.094 31.759 31.823 0.051 0.000 1.080 50 V HN 0.098 nan 8.190 nan 0.000 0.495 51 E N 0.078 120.199 120.200 -0.131 0.000 2.427 51 E HA -0.071 4.281 4.350 0.002 0.000 0.196 51 E C 1.650 178.170 176.600 -0.133 0.000 1.028 51 E CA 0.682 57.012 56.400 -0.116 0.000 0.864 51 E CB 0.440 30.059 29.700 -0.134 0.000 0.813 51 E HN 0.557 nan 8.360 nan 0.000 0.514 52 E N -0.460 119.619 120.200 -0.201 0.000 2.476 52 E HA 0.036 4.387 4.350 0.002 0.000 0.193 52 E C 0.319 176.823 176.600 -0.159 0.000 0.966 52 E CA 0.014 56.256 56.400 -0.263 0.000 1.114 52 E CB -0.159 29.237 29.700 -0.507 0.000 1.151 52 E HN 0.103 nan 8.360 nan 0.000 0.487 53 F N 2.478 122.444 119.950 0.028 0.000 2.619 53 F HA 0.363 4.892 4.527 0.002 0.000 0.350 53 F C -0.211 175.625 175.800 0.060 0.000 1.259 53 F CA -1.190 56.840 58.000 0.050 0.000 1.204 53 F CB -0.720 38.313 39.000 0.055 0.000 1.556 53 F HN -0.095 nan 8.300 nan 0.000 0.650 54 D N 2.301 122.819 120.400 0.197 0.000 2.927 54 D HA -0.177 4.464 4.640 0.002 0.000 0.236 54 D C -1.235 175.132 176.300 0.112 0.000 1.163 54 D CA 0.402 54.480 54.000 0.131 0.000 0.801 54 D CB -0.443 40.424 40.800 0.112 0.000 0.975 54 D HN 0.382 nan 8.370 nan 0.000 0.413 55 L N 2.354 123.630 121.223 0.090 0.000 2.294 55 L HA 0.343 4.684 4.340 0.002 0.000 0.283 55 L C -1.054 175.838 176.870 0.037 0.000 1.015 55 L CA -1.690 53.194 54.840 0.074 0.000 0.831 55 L CB 1.301 43.420 42.059 0.101 0.000 1.217 55 L HN 0.023 nan 8.230 nan 0.000 0.420 56 P HA -0.112 nan 4.420 nan 0.000 0.219 56 P C 0.350 177.642 177.300 -0.013 0.000 1.146 56 P CA 0.885 63.985 63.100 -0.000 0.000 0.808 56 P CB 0.239 31.932 31.700 -0.011 0.000 0.779 57 V N 0.903 120.807 119.914 -0.015 0.000 2.334 57 V HA 0.235 4.356 4.120 0.002 0.000 0.267 57 V C 0.949 177.041 176.094 -0.003 0.000 1.040 57 V CA -0.145 62.137 62.300 -0.030 0.000 0.866 57 V CB 0.881 32.663 31.823 -0.069 0.000 1.019 57 V HN -0.039 nan 8.190 nan 0.000 0.468 58 R N 4.983 125.476 120.500 -0.012 0.000 2.935 58 R HA 0.500 4.841 4.340 0.002 0.000 0.354 58 R C -0.369 175.919 176.300 -0.020 0.000 1.206 58 R CA -0.093 56.002 56.100 -0.010 0.000 1.082 58 R CB 0.350 30.638 30.300 -0.019 0.000 1.431 58 R HN 0.850 nan 8.270 nan 0.000 0.582 59 I N -3.654 116.905 120.570 -0.017 0.000 2.722 59 I HA 0.893 5.064 4.170 0.002 0.000 0.295 59 I C -0.418 175.697 176.117 -0.003 0.000 1.161 59 I CA -1.027 60.257 61.300 -0.026 0.000 1.032 59 I CB 2.582 40.562 38.000 -0.034 0.000 1.244 59 I HN 0.095 nan 8.210 nan 0.000 0.421 60 G N 2.201 110.990 108.800 -0.018 0.000 2.451 60 G HA2 0.557 4.518 3.960 0.002 0.000 0.292 60 G HA3 0.557 4.518 3.960 0.002 0.000 0.292 60 G C -1.451 173.431 174.900 -0.031 0.000 1.427 60 G CA -0.369 44.748 45.100 0.029 0.000 0.792 60 G HN 0.975 nan 8.290 nan 0.000 0.498 61 G N 0.126 108.954 108.800 0.046 0.000 2.716 61 G HA2 0.603 4.565 3.960 0.002 0.000 0.333 61 G HA3 0.603 4.565 3.960 0.002 0.000 0.333 61 G C 0.088 175.072 174.900 0.139 0.000 1.168 61 G CA -0.358 44.770 45.100 0.046 0.000 1.064 61 G HN 0.928 nan 8.290 nan 0.000 0.479 62 H N 1.164 120.280 119.070 0.076 0.000 2.534 62 H HA 0.547 5.104 4.556 0.002 0.000 0.364 62 H C 0.047 175.413 175.328 0.064 0.000 1.328 62 H CA -1.132 54.958 56.048 0.070 0.000 1.415 62 H CB 1.274 31.067 29.762 0.052 0.000 1.573 62 H HN 0.224 nan 8.280 nan 0.000 0.601 63 L N -0.408 120.911 121.223 0.159 0.000 2.776 63 L HA 0.085 4.426 4.340 0.002 0.000 0.165 63 L C 0.841 177.660 176.870 -0.085 0.000 1.145 63 L CA -0.442 54.431 54.840 0.056 0.000 1.230 63 L CB 0.098 42.184 42.059 0.046 0.000 2.044 63 L HN 0.612 nan 8.230 nan 0.000 0.484 64 L N -0.706 120.467 121.223 -0.084 0.000 3.524 64 L HA 0.268 4.609 4.340 0.002 0.000 0.337 64 L C -0.731 176.077 176.870 -0.104 0.000 1.330 64 L CA -0.074 54.701 54.840 -0.109 0.000 0.966 64 L CB 0.434 42.471 42.059 -0.038 0.000 1.395 64 L HN 0.627 nan 8.230 nan 0.000 0.616 65 E N -1.225 118.879 120.200 -0.160 0.000 2.429 65 E HA 0.514 4.866 4.350 0.002 0.000 0.280 65 E C -1.447 174.917 176.600 -0.394 0.000 1.068 65 E CA -0.979 55.297 56.400 -0.206 0.000 0.837 65 E CB 1.799 31.388 29.700 -0.185 0.000 1.357 65 E HN 0.013 nan 8.360 nan 0.000 0.455 66 E N 0.535 120.483 120.200 -0.420 0.000 2.248 66 E HA 0.315 4.667 4.350 0.002 0.000 0.267 66 E C -1.316 174.911 176.600 -0.621 0.000 0.877 66 E CA -0.859 55.243 56.400 -0.498 0.000 0.759 66 E CB 1.489 31.044 29.700 -0.242 0.000 1.182 66 E HN 0.377 nan 8.360 nan 0.000 0.418 67 F N 2.330 122.211 119.950 -0.115 0.000 2.606 67 F HA 0.236 4.765 4.527 0.002 0.000 0.347 67 F C 0.491 176.193 175.800 -0.163 0.000 1.207 67 F CA -0.102 57.806 58.000 -0.153 0.000 1.306 67 F CB 0.053 38.987 39.000 -0.110 0.000 1.657 67 F HN 0.420 nan 8.300 nan 0.000 0.606 68 D N -1.025 119.243 120.400 -0.219 0.000 3.165 68 D HA -0.033 4.608 4.640 0.002 0.000 0.264 68 D C 1.868 178.109 176.300 -0.098 0.000 1.363 68 D CA 0.484 54.410 54.000 -0.123 0.000 1.166 68 D CB -0.139 40.590 40.800 -0.119 0.000 1.291 68 D HN 0.401 nan 8.370 nan 0.000 0.390 69 H N 0.425 119.517 119.070 0.036 0.000 2.563 69 H HA 0.204 4.761 4.556 0.002 0.000 0.272 69 H C 1.060 176.408 175.328 0.034 0.000 1.005 69 H CA 0.781 56.845 56.048 0.026 0.000 1.171 69 H CB -0.388 29.381 29.762 0.013 0.000 1.351 69 H HN 0.188 nan 8.280 nan 0.000 0.602 70 Q N 0.000 119.846 119.800 0.076 0.000 2.391 70 Q HA 0.295 4.636 4.340 0.002 0.000 0.211 70 Q C -0.012 176.029 176.000 0.069 0.000 0.908 70 Q CA 0.179 56.050 55.803 0.114 0.000 0.920 70 Q CB 0.807 29.610 28.738 0.110 0.000 1.056 70 Q HN 0.406 nan 8.270 nan 0.000 0.523 71 L N -0.556 120.693 121.223 0.044 0.000 2.235 71 L HA 0.442 4.783 4.340 0.002 0.000 0.260 71 L C 0.448 177.334 176.870 0.026 0.000 1.025 71 L CA -1.127 53.728 54.840 0.026 0.000 0.836 71 L CB 1.311 43.376 42.059 0.010 0.000 1.395 71 L HN -0.091 nan 8.230 nan 0.000 0.443 72 T N -3.021 111.542 114.554 0.016 0.000 2.788 72 T HA 0.236 4.587 4.350 0.002 0.000 0.280 72 T C 0.832 175.541 174.700 0.016 0.000 0.984 72 T CA -0.356 61.753 62.100 0.016 0.000 0.972 72 T CB 1.275 70.148 68.868 0.009 0.000 1.039 72 T HN 0.591 nan 8.240 nan 0.000 0.530 73 R N -0.265 120.246 120.500 0.018 0.000 2.075 73 R HA 0.055 4.397 4.340 0.002 0.000 0.232 73 R C 2.155 178.465 176.300 0.016 0.000 1.126 73 R CA 1.288 57.400 56.100 0.020 0.000 0.963 73 R CB -0.940 29.373 30.300 0.021 0.000 0.858 73 R HN 0.717 nan 8.270 nan 0.000 0.435 74 I N 0.919 121.495 120.570 0.011 0.000 2.439 74 I HA -0.134 4.038 4.170 0.002 0.000 0.251 74 I C 1.407 177.524 176.117 -0.000 0.000 1.139 74 I CA 1.562 62.867 61.300 0.007 0.000 1.438 74 I CB -0.044 37.958 38.000 0.004 0.000 1.085 74 I HN 0.262 nan 8.210 nan 0.000 0.427 75 E N -0.129 120.068 120.200 -0.004 0.000 2.208 75 E HA -0.148 4.204 4.350 0.002 0.000 0.193 75 E C 2.274 178.866 176.600 -0.014 0.000 0.988 75 E CA 0.835 57.226 56.400 -0.015 0.000 0.828 75 E CB -0.100 29.589 29.700 -0.019 0.000 0.763 75 E HN 0.476 nan 8.360 nan 0.000 0.478 76 L N 1.205 122.428 121.223 -0.002 0.000 2.017 76 L HA -0.190 4.151 4.340 0.002 0.000 0.208 76 L C 2.663 179.529 176.870 -0.007 0.000 1.073 76 L CA 1.371 56.212 54.840 0.002 0.000 0.745 76 L CB -0.370 41.698 42.059 0.015 0.000 0.894 76 L HN 0.178 nan 8.230 nan 0.000 0.432 77 R N -0.079 120.423 120.500 0.003 0.000 2.276 77 R HA -0.053 4.288 4.340 0.002 0.000 0.203 77 R C 1.721 178.018 176.300 -0.005 0.000 1.017 77 R CA 0.543 56.648 56.100 0.007 0.000 1.010 77 R CB -0.205 30.115 30.300 0.033 0.000 0.900 77 R HN 0.354 nan 8.270 nan 0.000 0.469 78 R N 0.041 120.532 120.500 -0.015 0.000 2.280 78 R HA 0.319 4.660 4.340 0.002 0.000 0.195 78 R C 0.346 176.621 176.300 -0.041 0.000 0.935 78 R CA 0.383 56.468 56.100 -0.024 0.000 1.033 78 R CB 0.332 30.618 30.300 -0.024 0.000 0.964 78 R HN 0.176 nan 8.270 nan 0.000 0.489 79 M N -0.828 118.744 119.600 -0.046 0.000 2.572 79 M HA 0.401 4.882 4.480 0.002 0.000 0.299 79 M C 0.041 176.306 176.300 -0.059 0.000 1.205 79 M CA -0.816 54.449 55.300 -0.058 0.000 0.876 79 M CB 2.343 34.904 32.600 -0.064 0.000 1.728 79 M HN -0.036 nan 8.290 nan 0.000 0.458 80 G N -0.322 108.445 108.800 -0.054 0.000 2.531 80 G HA2 0.331 4.292 3.960 0.002 0.000 0.313 80 G HA3 0.331 4.292 3.960 0.002 0.000 0.313 80 G C -0.116 174.801 174.900 0.028 0.000 1.238 80 G CA -0.205 44.878 45.100 -0.027 0.000 0.994 80 G HN 0.784 nan 8.290 nan 0.000 0.493 81 Y N 0.052 120.326 120.300 -0.043 0.000 2.014 81 Y HA -0.225 4.326 4.550 0.002 0.000 0.272 81 Y C 2.711 178.588 175.900 -0.038 0.000 1.164 81 Y CA 2.124 60.222 58.100 -0.002 0.000 1.114 81 Y CB -0.474 38.000 38.460 0.024 0.000 0.961 81 Y HN 0.241 nan 8.280 nan 0.000 0.489 82 L N -0.128 121.012 121.223 -0.139 0.000 2.043 82 L HA -0.325 4.016 4.340 0.002 0.000 0.212 82 L C 2.532 179.228 176.870 -0.289 0.000 1.075 82 L CA 1.959 56.637 54.840 -0.270 0.000 0.752 82 L CB -0.884 41.119 42.059 -0.094 0.000 0.891 82 L HN 0.372 nan 8.230 nan 0.000 0.432 83 Q N -0.184 119.505 119.800 -0.185 0.000 2.135 83 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 83 Q C 2.375 178.239 176.000 -0.226 0.000 0.981 83 Q CA 1.425 57.124 55.803 -0.173 0.000 0.856 83 Q CB -0.137 28.534 28.738 -0.113 0.000 0.902 83 Q HN 0.505 nan 8.270 nan 0.000 0.425 84 R N 0.155 120.509 120.500 -0.244 0.000 2.092 84 R HA -0.060 4.281 4.340 0.002 0.000 0.231 84 R C 2.287 178.261 176.300 -0.543 0.000 1.119 84 R CA 1.260 57.206 56.100 -0.257 0.000 0.970 84 R CB -0.291 29.948 30.300 -0.103 0.000 0.864 84 R HN 0.317 nan 8.270 nan 0.000 0.440 85 M N 1.055 120.135 119.600 -0.867 0.000 2.059 85 M HA -0.198 4.283 4.480 0.002 0.000 0.259 85 M C 2.302 178.167 176.300 -0.726 0.000 1.072 85 M CA 2.367 56.853 55.300 -1.357 0.000 1.117 85 M CB -0.125 31.770 32.600 -1.175 0.000 1.320 85 M HN 0.183 nan 8.290 nan 0.000 0.408 86 S N -0.565 114.863 115.700 -0.453 0.000 2.359 86 S HA -0.174 4.297 4.470 0.002 0.000 0.224 86 S C 1.779 176.242 174.600 -0.227 0.000 1.035 86 S CA 2.007 60.042 58.200 -0.275 0.000 1.018 86 S CB -1.483 61.596 63.200 -0.201 0.000 0.876 86 S HN 0.608 nan 8.310 nan 0.000 0.448 87 T N 2.421 116.836 114.554 -0.232 0.000 2.624 87 T HA -0.104 4.247 4.350 0.002 0.000 0.268 87 T C 1.904 176.515 174.700 -0.148 0.000 1.041 87 T CA 1.813 63.809 62.100 -0.172 0.000 1.159 87 T CB -0.775 67.998 68.868 -0.158 0.000 0.863 87 T HN 0.321 nan 8.240 nan 0.000 0.434 88 V N 1.260 121.058 119.914 -0.192 0.000 2.343 88 V HA -0.098 4.023 4.120 0.002 0.000 0.247 88 V C 2.487 178.538 176.094 -0.072 0.000 1.051 88 V CA 1.415 63.650 62.300 -0.109 0.000 1.036 88 V CB -0.681 31.090 31.823 -0.087 0.000 0.654 88 V HN 0.432 nan 8.190 nan 0.000 0.451 89 L N 0.735 121.883 121.223 -0.126 0.000 2.056 89 L HA -0.151 4.190 4.340 0.002 0.000 0.207 89 L C 2.814 179.673 176.870 -0.019 0.000 1.078 89 L CA 1.797 56.601 54.840 -0.061 0.000 0.749 89 L CB -0.747 41.258 42.059 -0.091 0.000 0.901 89 L HN 0.575 nan 8.230 nan 0.000 0.433 90 S N 0.194 115.874 115.700 -0.034 0.000 2.370 90 S HA -0.232 4.239 4.470 0.002 0.000 0.226 90 S C 2.081 176.727 174.600 0.076 0.000 1.033 90 S CA 0.990 59.202 58.200 0.020 0.000 1.011 90 S CB -0.403 62.784 63.200 -0.023 0.000 0.852 90 S HN 0.359 nan 8.310 nan 0.000 0.457 91 R N 1.181 121.699 120.500 0.029 0.000 2.083 91 R HA 0.010 4.352 4.340 0.002 0.000 0.237 91 R C 2.875 179.237 176.300 0.104 0.000 1.137 91 R CA 1.736 57.871 56.100 0.059 0.000 0.951 91 R CB -0.384 29.925 30.300 0.014 0.000 0.851 91 R HN 0.495 nan 8.270 nan 0.000 0.434 92 R N 0.435 120.977 120.500 0.070 0.000 2.081 92 R HA -0.120 4.222 4.340 0.002 0.000 0.235 92 R C 2.373 178.714 176.300 0.069 0.000 1.131 92 R CA 1.098 57.238 56.100 0.066 0.000 0.960 92 R CB -0.488 29.842 30.300 0.050 0.000 0.856 92 R HN 0.122 nan 8.270 nan 0.000 0.436 93 L N 0.274 121.541 121.223 0.073 0.000 2.046 93 L HA -0.153 4.188 4.340 0.002 0.000 0.208 93 L C 1.904 178.817 176.870 0.071 0.000 1.077 93 L CA 1.621 56.494 54.840 0.055 0.000 0.747 93 L CB -0.504 41.589 42.059 0.058 0.000 0.896 93 L HN 0.322 nan 8.230 nan 0.000 0.432 94 W N 0.521 121.805 121.300 -0.026 0.000 2.525 94 W HA -0.166 4.495 4.660 0.002 0.000 0.259 94 W C 2.103 178.614 176.519 -0.013 0.000 1.253 94 W CA 1.619 58.951 57.345 -0.021 0.000 1.262 94 W CB 0.170 29.616 29.460 -0.025 0.000 1.122 94 W HN 0.474 nan 8.180 nan 0.000 0.607 95 E N -0.246 120.041 120.200 0.145 0.000 2.216 95 E HA -0.126 4.225 4.350 0.002 0.000 0.192 95 E C 1.675 178.276 176.600 0.001 0.000 0.973 95 E CA 0.455 56.904 56.400 0.082 0.000 0.851 95 E CB -0.138 29.616 29.700 0.091 0.000 0.804 95 E HN 0.032 nan 8.360 nan 0.000 0.477 96 N N 0.616 119.308 118.700 -0.013 0.000 2.396 96 N HA -0.072 4.670 4.740 0.002 0.000 0.180 96 N C 1.168 176.627 175.510 -0.085 0.000 1.028 96 N CA 0.928 53.955 53.050 -0.038 0.000 0.893 96 N CB 0.161 38.630 38.487 -0.031 0.000 0.967 96 N HN 0.133 nan 8.380 nan 0.000 0.440 97 A N 0.092 122.823 122.820 -0.147 0.000 2.278 97 A HA 0.402 4.723 4.320 0.002 0.000 0.212 97 A C 1.357 178.809 177.584 -0.220 0.000 1.213 97 A CA 0.553 52.452 52.037 -0.230 0.000 0.840 97 A CB -0.360 18.401 19.000 -0.399 0.000 0.866 97 A HN 0.263 nan 8.150 nan 0.000 0.489 98 G N -1.046 107.670 108.800 -0.140 0.000 2.149 98 G HA2 -0.163 3.798 3.960 0.002 0.000 0.235 98 G HA3 -0.163 3.798 3.960 0.002 0.000 0.235 98 G C 0.400 175.247 174.900 -0.088 0.000 1.018 98 G CA 0.358 45.404 45.100 -0.090 0.000 0.728 98 G HN 1.246 nan 8.290 nan 0.000 0.508 99 S N -0.006 115.626 115.700 -0.114 0.000 3.405 99 S HA -0.142 4.329 4.470 0.002 0.000 0.373 99 S C -0.938 173.668 174.600 0.009 0.000 0.939 99 S CA 0.998 59.213 58.200 0.024 0.000 1.295 99 S CB -0.664 62.651 63.200 0.192 0.000 0.919 99 S HN 1.004 nan 8.310 nan 0.000 0.535 100 P HA 0.299 nan 4.420 nan 0.000 0.272 100 P C -0.190 177.249 177.300 0.231 0.000 1.240 100 P CA 0.040 63.067 63.100 -0.122 0.000 0.791 100 P CB 0.625 32.114 31.700 -0.351 0.000 0.978 101 E N 1.158 121.482 120.200 0.206 0.000 2.145 101 E HA 0.390 4.741 4.350 0.002 0.000 0.262 101 E C -1.133 175.602 176.600 0.225 0.000 0.883 101 E CA -0.796 55.767 56.400 0.273 0.000 0.748 101 E CB 0.976 30.782 29.700 0.175 0.000 1.140 101 E HN 0.102 nan 8.360 nan 0.000 0.417 102 V N 2.365 122.461 119.914 0.302 0.000 3.103 102 V HA 0.302 4.424 4.120 0.002 0.000 0.318 102 V C -0.099 176.115 176.094 0.200 0.000 1.114 102 V CA -1.025 61.433 62.300 0.263 0.000 1.020 102 V CB 1.958 33.967 31.823 0.310 0.000 1.085 102 V HN 0.561 nan 8.190 nan 0.000 0.446 103 D N 1.208 121.716 120.400 0.180 0.000 2.352 103 D HA 0.115 4.756 4.640 0.002 0.000 0.245 103 D C 1.333 177.703 176.300 0.117 0.000 1.224 103 D CA 0.210 54.284 54.000 0.123 0.000 0.879 103 D CB 1.356 42.219 40.800 0.105 0.000 1.057 103 D HN 0.736 nan 8.370 nan 0.000 0.491 104 T N 0.926 115.537 114.554 0.095 0.000 3.077 104 T HA -0.102 4.250 4.350 0.002 0.000 0.269 104 T C 1.176 175.909 174.700 0.055 0.000 1.146 104 T CA 0.407 62.553 62.100 0.077 0.000 1.091 104 T CB -0.037 68.872 68.868 0.069 0.000 0.892 104 T HN 0.277 nan 8.240 nan 0.000 0.533 105 N N 1.113 119.843 118.700 0.050 0.000 2.467 105 N HA 0.072 4.813 4.740 0.002 0.000 0.184 105 N C 1.172 176.702 175.510 0.034 0.000 1.106 105 N CA 0.287 53.357 53.050 0.033 0.000 0.892 105 N CB 0.188 38.691 38.487 0.027 0.000 0.969 105 N HN 0.335 nan 8.380 nan 0.000 0.454 106 R N 0.161 120.691 120.500 0.049 0.000 2.535 106 R HA 0.226 4.567 4.340 0.002 0.000 0.323 106 R C -0.320 175.998 176.300 0.029 0.000 0.979 106 R CA -0.409 55.717 56.100 0.043 0.000 1.120 106 R CB 0.071 30.416 30.300 0.075 0.000 1.306 106 R HN 0.049 nan 8.270 nan 0.000 0.540 107 L N 2.031 123.279 121.223 0.042 0.000 2.309 107 L HA 0.569 4.910 4.340 0.002 0.000 0.282 107 L C -0.192 176.693 176.870 0.025 0.000 1.036 107 L CA -0.491 54.376 54.840 0.045 0.000 0.806 107 L CB 1.196 43.314 42.059 0.098 0.000 1.220 107 L HN 0.095 nan 8.230 nan 0.000 0.429 108 M N 4.069 123.677 119.600 0.015 0.000 2.691 108 M HA 0.867 5.349 4.480 0.002 0.000 0.293 108 M C -1.712 174.592 176.300 0.007 0.000 1.259 108 M CA -0.840 54.461 55.300 0.002 0.000 0.827 108 M CB 2.208 34.799 32.600 -0.014 0.000 1.753 108 M HN 0.221 nan 8.290 nan 0.000 0.465 109 V N 0.732 120.643 119.914 -0.005 0.000 2.709 109 V HA 0.716 4.837 4.120 0.002 0.000 0.308 109 V C -1.079 175.007 176.094 -0.014 0.000 1.062 109 V CA -0.453 61.843 62.300 -0.007 0.000 0.901 109 V CB 2.030 33.842 31.823 -0.019 0.000 1.003 109 V HN 0.917 nan 8.190 nan 0.000 0.425 110 S N 5.125 120.819 115.700 -0.011 0.000 2.721 110 S HA 0.641 5.112 4.470 0.002 0.000 0.264 110 S C -1.207 173.384 174.600 -0.015 0.000 1.161 110 S CA -0.475 57.718 58.200 -0.013 0.000 1.113 110 S CB 0.215 63.411 63.200 -0.005 0.000 1.079 110 S HN 0.481 nan 8.310 nan 0.000 0.479 111 I N 4.118 124.673 120.570 -0.025 0.000 2.382 111 I HA 0.484 4.655 4.170 0.002 0.000 0.286 111 I C 0.885 176.983 176.117 -0.032 0.000 1.002 111 I CA -0.453 60.828 61.300 -0.032 0.000 1.135 111 I CB 0.845 38.817 38.000 -0.047 0.000 1.288 111 I HN 0.666 nan 8.210 nan 0.000 0.448 112 G N 4.390 113.174 108.800 -0.028 0.000 2.434 112 G HA2 0.772 4.733 3.960 0.002 0.000 0.330 112 G HA3 0.772 4.733 3.960 0.002 0.000 0.330 112 G C -0.583 174.298 174.900 -0.031 0.000 1.155 112 G CA -0.147 44.935 45.100 -0.030 0.000 0.917 112 G HN 0.541 nan 8.290 nan 0.000 0.493 113 T N -0.833 113.703 114.554 -0.030 0.000 2.841 113 T HA 0.573 4.924 4.350 0.002 0.000 0.296 113 T C 1.102 175.788 174.700 -0.025 0.000 1.166 113 T CA 0.186 62.271 62.100 -0.024 0.000 1.007 113 T CB 1.784 70.641 68.868 -0.018 0.000 1.253 113 T HN 0.633 nan 8.240 nan 0.000 0.511 114 G N -0.257 108.532 108.800 -0.018 0.000 2.486 114 G HA2 0.199 4.160 3.960 0.002 0.000 0.210 114 G HA3 0.199 4.160 3.960 0.002 0.000 0.210 114 G C 1.079 175.981 174.900 0.003 0.000 1.168 114 G CA 0.413 45.505 45.100 -0.013 0.000 0.820 114 G HN 0.653 nan 8.290 nan 0.000 0.544 115 L N -2.780 118.447 121.223 0.006 0.000 2.586 115 L HA 0.659 5.001 4.340 0.002 0.000 0.204 115 L C 1.277 178.161 176.870 0.024 0.000 1.053 115 L CA 0.303 55.154 54.840 0.018 0.000 0.856 115 L CB -0.496 41.574 42.059 0.018 0.000 1.192 115 L HN 0.500 nan 8.230 nan 0.000 0.484 116 G N 0.675 109.490 108.800 0.024 0.000 2.512 116 G HA2 -0.200 3.761 3.960 0.002 0.000 0.210 116 G HA3 -0.200 3.761 3.960 0.002 0.000 0.210 116 G C -0.488 174.444 174.900 0.055 0.000 1.295 116 G CA -0.166 44.956 45.100 0.036 0.000 0.934 116 G HN 0.194 nan 8.290 nan 0.000 0.554 117 S N 1.252 117.000 115.700 0.080 0.000 2.835 117 S HA 0.564 5.035 4.470 0.002 0.000 0.286 117 S C 1.249 175.904 174.600 0.092 0.000 1.194 117 S CA 0.799 59.056 58.200 0.095 0.000 1.031 117 S CB 0.670 63.939 63.200 0.115 0.000 1.216 117 S HN 1.489 nan 8.310 nan 0.000 0.502 118 A N 3.150 125.996 122.820 0.043 0.000 1.861 118 A HA -0.053 4.268 4.320 0.002 0.000 0.212 118 A C 2.140 179.722 177.584 -0.003 0.000 1.199 118 A CA 0.720 52.759 52.037 0.003 0.000 0.613 118 A CB -0.399 18.597 19.000 -0.006 0.000 0.846 118 A HN 0.731 nan 8.150 nan 0.000 0.446 119 E N 0.418 120.623 120.200 0.009 0.000 2.233 119 E HA -0.315 4.037 4.350 0.002 0.000 0.199 119 E C 1.542 178.175 176.600 0.056 0.000 1.004 119 E CA 1.752 58.162 56.400 0.018 0.000 0.819 119 E CB -0.433 29.268 29.700 0.002 0.000 0.738 119 E HN 0.617 nan 8.360 nan 0.000 0.478 120 E N 1.299 121.533 120.200 0.057 0.000 2.153 120 E HA -0.099 4.252 4.350 0.002 0.000 0.194 120 E C 2.149 178.824 176.600 0.126 0.000 0.988 120 E CA 0.851 57.306 56.400 0.091 0.000 0.811 120 E CB -0.258 29.527 29.700 0.141 0.000 0.746 120 E HN 0.404 nan 8.360 nan 0.000 0.466 121 L N -0.682 120.529 121.223 -0.020 0.000 2.156 121 L HA -0.096 4.245 4.340 0.002 0.000 0.208 121 L C 2.218 179.122 176.870 0.057 0.000 1.095 121 L CA 0.548 55.309 54.840 -0.133 0.000 0.770 121 L CB -0.162 41.693 42.059 -0.339 0.000 0.914 121 L HN 0.078 nan 8.230 nan 0.000 0.439 122 V N -0.903 119.064 119.914 0.089 0.000 2.626 122 V HA -0.274 3.848 4.120 0.002 0.000 0.252 122 V C 2.111 178.302 176.094 0.161 0.000 1.067 122 V CA 1.597 63.971 62.300 0.124 0.000 1.081 122 V CB -0.629 31.244 31.823 0.083 0.000 0.686 122 V HN 0.348 nan 8.190 nan 0.000 0.468 123 F N 2.069 122.042 119.950 0.040 0.000 2.128 123 F HA -0.163 4.365 4.527 0.002 0.000 0.295 123 F C 2.647 178.478 175.800 0.052 0.000 1.100 123 F CA 1.701 59.727 58.000 0.043 0.000 1.260 123 F CB -0.063 38.967 39.000 0.051 0.000 1.009 123 F HN 0.229 nan 8.300 nan 0.000 0.476 124 S N -1.142 114.794 115.700 0.394 0.000 2.425 124 S HA -0.169 4.302 4.470 0.002 0.000 0.225 124 S C 1.872 176.573 174.600 0.168 0.000 1.024 124 S CA 0.585 58.957 58.200 0.286 0.000 0.951 124 S CB -1.191 62.223 63.200 0.357 0.000 0.796 124 S HN 0.566 nan 8.310 nan 0.000 0.498 125 Y N 2.765 123.082 120.300 0.028 0.000 2.263 125 Y HA 0.079 4.631 4.550 0.002 0.000 0.292 125 Y C 1.066 176.953 175.900 -0.022 0.000 1.130 125 Y CA 1.333 59.427 58.100 -0.009 0.000 1.179 125 Y CB -0.619 37.816 38.460 -0.041 0.000 0.998 125 Y HN 0.234 nan 8.280 nan 0.000 0.532 126 D N -0.480 119.815 120.400 -0.175 0.000 2.347 126 D HA -0.082 4.559 4.640 0.002 0.000 0.215 126 D C 1.484 177.645 176.300 -0.232 0.000 0.976 126 D CA 0.865 54.703 54.000 -0.270 0.000 0.884 126 D CB -0.018 40.704 40.800 -0.130 0.000 0.915 126 D HN 0.307 nan 8.370 nan 0.000 0.526 127 D N -0.069 120.218 120.400 -0.189 0.000 2.103 127 D HA -0.044 4.597 4.640 0.002 0.000 0.199 127 D C 1.898 178.118 176.300 -0.134 0.000 0.978 127 D CA 0.768 54.664 54.000 -0.173 0.000 0.829 127 D CB 0.057 40.768 40.800 -0.148 0.000 0.981 127 D HN 0.125 nan 8.370 nan 0.000 0.464 128 M N -0.291 119.236 119.600 -0.122 0.000 2.267 128 M HA -0.129 4.352 4.480 0.002 0.000 0.263 128 M C 1.347 177.571 176.300 -0.125 0.000 1.063 128 M CA 1.195 56.437 55.300 -0.096 0.000 1.090 128 M CB -0.104 32.453 32.600 -0.073 0.000 1.392 128 M HN -0.138 nan 8.290 nan 0.000 0.422 129 R N -0.428 119.957 120.500 -0.192 0.000 2.423 129 R HA 0.238 4.580 4.340 0.002 0.000 0.248 129 R C 0.919 177.143 176.300 -0.127 0.000 1.019 129 R CA 0.275 56.272 56.100 -0.173 0.000 1.119 129 R CB 0.032 30.184 30.300 -0.247 0.000 1.176 129 R HN 0.341 nan 8.270 nan 0.000 0.526 130 A N -0.547 122.207 122.820 -0.110 0.000 1.655 130 A HA 0.155 4.476 4.320 0.002 0.000 0.180 130 A C 1.436 178.977 177.584 -0.071 0.000 1.582 130 A CA -0.395 51.588 52.037 -0.089 0.000 1.292 130 A CB 0.202 19.141 19.000 -0.103 0.000 1.144 130 A HN 0.013 nan 8.150 nan 0.000 0.609 131 R N 0.610 121.065 120.500 -0.076 0.000 2.115 131 R HA 0.238 4.579 4.340 0.002 0.000 0.230 131 R C 0.999 177.276 176.300 -0.039 0.000 1.111 131 R CA 1.352 57.419 56.100 -0.054 0.000 0.976 131 R CB -0.355 29.911 30.300 -0.057 0.000 0.870 131 R HN 1.205 nan 8.270 nan 0.000 0.445 132 G N -1.277 107.498 108.800 -0.043 0.000 2.381 132 G HA2 -0.153 3.808 3.960 0.002 0.000 0.672 132 G HA3 -0.153 3.808 3.960 0.002 0.000 0.672 132 G C 0.235 175.124 174.900 -0.019 0.000 1.324 132 G CA -0.397 44.685 45.100 -0.029 0.000 0.975 132 G HN -0.104 nan 8.290 nan 0.000 0.593 133 M N -0.464 119.131 119.600 -0.009 0.000 2.419 133 M HA 0.123 4.604 4.480 0.002 0.000 0.264 133 M C 1.964 178.271 176.300 0.012 0.000 1.082 133 M CA 1.241 56.544 55.300 0.005 0.000 1.119 133 M CB -0.735 31.870 32.600 0.008 0.000 1.398 133 M HN 0.564 nan 8.290 nan 0.000 0.453 134 K N -0.161 120.243 120.400 0.007 0.000 2.358 134 K HA 0.316 4.637 4.320 0.002 0.000 0.200 134 K C 0.768 177.374 176.600 0.011 0.000 1.030 134 K CA 0.004 56.298 56.287 0.010 0.000 1.097 134 K CB 0.596 33.100 32.500 0.007 0.000 0.862 134 K HN 0.106 nan 8.250 nan 0.000 0.534 135 A N 1.540 124.364 122.820 0.007 0.000 2.708 135 A HA 0.258 4.580 4.320 0.002 0.000 0.293 135 A C 0.203 177.796 177.584 0.015 0.000 1.303 135 A CA -0.418 51.623 52.037 0.006 0.000 0.949 135 A CB -0.240 18.756 19.000 -0.007 0.000 1.121 135 A HN 0.067 nan 8.150 nan 0.000 0.542 136 V N -4.372 115.560 119.914 0.031 0.000 3.156 136 V HA 0.807 4.928 4.120 0.002 0.000 0.311 136 V C -0.058 176.073 176.094 0.062 0.000 1.208 136 V CA -0.756 61.578 62.300 0.056 0.000 1.063 136 V CB 1.376 33.239 31.823 0.066 0.000 1.098 136 V HN 0.112 nan 8.190 nan 0.000 0.452 137 S N 0.691 116.441 115.700 0.083 0.000 2.480 137 S HA 0.559 5.030 4.470 0.002 0.000 0.286 137 S C -1.556 173.077 174.600 0.054 0.000 1.180 137 S CA -1.131 57.107 58.200 0.064 0.000 1.075 137 S CB 1.213 64.454 63.200 0.068 0.000 0.996 137 S HN 0.768 nan 8.310 nan 0.000 0.487 138 P HA -0.062 nan 4.420 nan 0.000 0.216 138 P C 0.415 177.722 177.300 0.012 0.000 1.153 138 P CA 0.901 64.016 63.100 0.025 0.000 0.858 138 P CB 0.141 31.850 31.700 0.015 0.000 0.789 139 L N -0.610 120.614 121.223 0.002 0.000 2.851 139 L HA 0.148 4.489 4.340 0.002 0.000 0.237 139 L C 1.404 178.252 176.870 -0.036 0.000 1.257 139 L CA 0.994 55.820 54.840 -0.024 0.000 1.061 139 L CB -1.983 40.059 42.059 -0.028 0.000 1.372 139 L HN 0.120 nan 8.230 nan 0.000 0.493 140 T N -4.747 109.805 114.554 -0.003 0.000 3.085 140 T HA -0.024 4.328 4.350 0.002 0.000 0.263 140 T C 1.866 176.518 174.700 -0.079 0.000 1.127 140 T CA 0.407 62.517 62.100 0.018 0.000 1.103 140 T CB -0.103 68.839 68.868 0.124 0.000 0.921 140 T HN 0.090 nan 8.240 nan 0.000 0.510 141 V N 1.716 121.522 119.914 -0.179 0.000 2.261 141 V HA -0.195 3.927 4.120 0.002 0.000 0.246 141 V C 2.899 178.630 176.094 -0.604 0.000 1.047 141 V CA 1.954 63.936 62.300 -0.529 0.000 1.015 141 V CB -1.071 30.578 31.823 -0.289 0.000 0.642 141 V HN 0.421 nan 8.190 nan 0.000 0.446 142 Q N 0.720 120.343 119.800 -0.296 0.000 2.217 142 Q HA -0.258 4.083 4.340 0.002 0.000 0.209 142 Q C 2.011 177.896 176.000 -0.191 0.000 0.988 142 Q CA 1.965 57.641 55.803 -0.212 0.000 0.878 142 Q CB -0.414 28.248 28.738 -0.126 0.000 0.909 142 Q HN 0.649 nan 8.270 nan 0.000 0.424 143 K N -0.769 119.530 120.400 -0.169 0.000 2.002 143 K HA -0.170 4.151 4.320 0.002 0.000 0.209 143 K C 1.835 178.424 176.600 -0.018 0.000 1.048 143 K CA 1.646 57.885 56.287 -0.080 0.000 0.930 143 K CB -0.421 32.058 32.500 -0.035 0.000 0.714 143 K HN 0.516 nan 8.250 nan 0.000 0.438 144 Y N -0.120 120.175 120.300 -0.008 0.000 2.490 144 Y HA 0.262 4.813 4.550 0.002 0.000 0.281 144 Y C 0.271 176.169 175.900 -0.003 0.000 1.174 144 Y CA -0.561 57.539 58.100 -0.001 0.000 1.295 144 Y CB -0.323 38.147 38.460 0.016 0.000 1.062 144 Y HN -0.184 nan 8.280 nan 0.000 0.522 145 M N 3.467 123.020 119.600 -0.079 0.000 2.238 145 M HA 0.112 4.593 4.480 0.002 0.000 0.347 145 M C -1.451 174.858 176.300 0.014 0.000 1.173 145 M CA -1.837 53.435 55.300 -0.047 0.000 1.147 145 M CB 0.427 32.943 32.600 -0.139 0.000 1.547 145 M HN 0.037 nan 8.290 nan 0.000 0.455 146 P HA -0.061 nan 4.420 nan 0.000 0.239 146 P C 0.163 177.457 177.300 -0.010 0.000 1.184 146 P CA 1.029 64.140 63.100 0.018 0.000 0.760 146 P CB -0.137 31.576 31.700 0.023 0.000 0.884 147 N N -1.056 117.629 118.700 -0.025 0.000 2.234 147 N HA 0.050 4.791 4.740 0.002 0.000 0.227 147 N C 1.482 176.961 175.510 -0.051 0.000 1.151 147 N CA -0.061 52.967 53.050 -0.037 0.000 0.865 147 N CB -0.525 37.940 38.487 -0.036 0.000 1.066 147 N HN -0.046 nan 8.380 nan 0.000 0.515 148 G N 1.154 109.921 108.800 -0.054 0.000 2.402 148 G HA2 -0.112 3.849 3.960 0.002 0.000 0.216 148 G HA3 -0.112 3.849 3.960 0.002 0.000 0.216 148 G C 1.561 176.416 174.900 -0.076 0.000 1.162 148 G CA 0.987 46.046 45.100 -0.068 0.000 0.777 148 G HN 0.447 nan 8.290 nan 0.000 0.539 149 A N 1.035 123.809 122.820 -0.076 0.000 1.933 149 A HA 0.285 4.606 4.320 0.002 0.000 0.218 149 A C 2.746 180.277 177.584 -0.088 0.000 1.175 149 A CA 2.248 54.227 52.037 -0.097 0.000 0.628 149 A CB -0.612 18.327 19.000 -0.101 0.000 0.814 149 A HN 0.697 nan 8.150 nan 0.000 0.444 150 A N -0.300 122.478 122.820 -0.069 0.000 1.874 150 A HA 0.301 4.622 4.320 0.002 0.000 0.214 150 A C 2.507 180.053 177.584 -0.064 0.000 1.189 150 A CA 1.694 53.695 52.037 -0.060 0.000 0.615 150 A CB -1.040 17.932 19.000 -0.047 0.000 0.830 150 A HN 1.009 nan 8.150 nan 0.000 0.443 151 A N 0.078 122.860 122.820 -0.064 0.000 1.940 151 A HA 0.123 4.444 4.320 0.002 0.000 0.219 151 A C 2.483 180.021 177.584 -0.077 0.000 1.176 151 A CA 2.190 54.188 52.037 -0.065 0.000 0.631 151 A CB -1.014 17.948 19.000 -0.063 0.000 0.814 151 A HN 1.016 nan 8.150 nan 0.000 0.446 152 A N -0.527 122.241 122.820 -0.087 0.000 1.858 152 A HA -0.046 4.276 4.320 0.002 0.000 0.216 152 A C 2.220 179.736 177.584 -0.113 0.000 1.190 152 A CA 1.953 53.931 52.037 -0.099 0.000 0.617 152 A CB -1.054 17.881 19.000 -0.108 0.000 0.827 152 A HN 0.464 nan 8.150 nan 0.000 0.443 153 V N -0.024 119.824 119.914 -0.110 0.000 2.515 153 V HA -0.139 3.982 4.120 0.002 0.000 0.250 153 V C 2.709 178.729 176.094 -0.123 0.000 1.058 153 V CA 1.757 63.987 62.300 -0.116 0.000 1.064 153 V CB -1.383 30.386 31.823 -0.091 0.000 0.675 153 V HN 0.632 nan 8.190 nan 0.000 0.461 154 G N -0.587 108.154 108.800 -0.099 0.000 2.509 154 G HA2 -0.116 3.845 3.960 0.002 0.000 0.218 154 G HA3 -0.116 3.845 3.960 0.002 0.000 0.218 154 G C 1.499 176.328 174.900 -0.118 0.000 1.124 154 G CA 0.540 45.586 45.100 -0.091 0.000 0.776 154 G HN 0.479 nan 8.290 nan 0.000 0.547 155 L N -0.644 120.497 121.223 -0.137 0.000 2.145 155 L HA 0.159 4.500 4.340 0.002 0.000 0.201 155 L C 2.588 179.278 176.870 -0.300 0.000 1.075 155 L CA 0.903 55.647 54.840 -0.160 0.000 0.773 155 L CB -0.320 41.671 42.059 -0.112 0.000 0.936 155 L HN 0.240 nan 8.230 nan 0.000 0.451 156 E N 0.644 120.680 120.200 -0.274 0.000 2.033 156 E HA -0.190 4.162 4.350 0.002 0.000 0.199 156 E C 0.566 176.861 176.600 -0.508 0.000 1.011 156 E CA 1.139 57.334 56.400 -0.342 0.000 0.815 156 E CB 0.250 29.797 29.700 -0.255 0.000 0.755 156 E HN 0.084 nan 8.360 nan 0.000 0.451 157 R N 0.003 120.238 120.500 -0.442 0.000 2.308 157 R HA 0.158 4.499 4.340 0.002 0.000 0.305 157 R C -0.664 175.423 176.300 -0.355 0.000 1.053 157 R CA 0.072 55.892 56.100 -0.466 0.000 0.957 157 R CB 0.462 30.502 30.300 -0.433 0.000 1.022 157 R HN 0.290 nan 8.270 nan 0.000 0.461 158 H N 1.224 120.212 119.070 -0.137 0.000 3.262 158 H HA 0.227 4.784 4.556 0.002 0.000 0.270 158 H C 0.264 175.554 175.328 -0.062 0.000 1.431 158 H CA 0.187 56.184 56.048 -0.085 0.000 1.237 158 H CB -0.381 29.338 29.762 -0.071 0.000 1.443 158 H HN 0.620 nan 8.280 nan 0.000 0.609 159 A N 1.293 124.105 122.820 -0.012 0.000 2.587 159 A HA -0.055 4.267 4.320 0.002 0.000 0.235 159 A C 0.775 178.368 177.584 0.014 0.000 1.044 159 A CA 0.313 52.352 52.037 0.002 0.000 0.754 159 A CB 0.216 19.205 19.000 -0.019 0.000 0.968 159 A HN 0.730 nan 8.150 nan 0.000 0.509 160 K N 1.724 122.135 120.400 0.018 0.000 2.564 160 K HA 0.332 4.653 4.320 0.002 0.000 0.201 160 K C 0.641 177.244 176.600 0.005 0.000 1.086 160 K CA 0.583 56.877 56.287 0.012 0.000 1.062 160 K CB 1.004 33.514 32.500 0.016 0.000 0.849 160 K HN 0.674 nan 8.250 nan 0.000 0.529 161 A N 1.334 124.156 122.820 0.003 0.000 2.430 161 A HA 0.517 4.839 4.320 0.002 0.000 0.243 161 A C 0.552 178.128 177.584 -0.013 0.000 1.254 161 A CA 0.223 52.257 52.037 -0.005 0.000 0.914 161 A CB 0.377 19.373 19.000 -0.006 0.000 0.998 161 A HN 0.284 nan 8.150 nan 0.000 0.515 162 G N -1.276 107.517 108.800 -0.012 0.000 3.014 162 G HA2 0.247 4.208 3.960 0.002 0.000 0.683 162 G HA3 0.247 4.208 3.960 0.002 0.000 0.683 162 G C -1.104 173.785 174.900 -0.018 0.000 1.271 162 G CA -0.377 44.712 45.100 -0.017 0.000 0.843 162 G HN 0.811 nan 8.290 nan 0.000 0.612 163 V N 4.385 124.287 119.914 -0.021 0.000 2.380 163 V HA 0.758 4.879 4.120 0.002 0.000 0.286 163 V C 0.611 176.691 176.094 -0.025 0.000 1.015 163 V CA -0.441 61.844 62.300 -0.025 0.000 0.834 163 V CB 1.231 33.036 31.823 -0.030 0.000 1.009 163 V HN 0.962 nan 8.190 nan 0.000 0.428 164 M N 2.412 121.998 119.600 -0.024 0.000 2.602 164 M HA 0.769 5.250 4.480 0.002 0.000 0.312 164 M C -0.744 175.542 176.300 -0.023 0.000 1.181 164 M CA -0.447 54.840 55.300 -0.022 0.000 0.910 164 M CB 2.443 35.032 32.600 -0.018 0.000 1.723 164 M HN 0.300 nan 8.290 nan 0.000 0.459 165 T N 2.706 117.247 114.554 -0.023 0.000 3.135 165 T HA 0.431 4.782 4.350 0.002 0.000 0.357 165 T C -2.668 172.017 174.700 -0.024 0.000 1.112 165 T CA -0.725 61.360 62.100 -0.025 0.000 1.290 165 T CB 0.911 69.763 68.868 -0.027 0.000 1.018 165 T HN 0.547 nan 8.240 nan 0.000 0.527 166 P HA 0.486 nan 4.420 nan 0.000 0.280 166 P C -0.960 176.313 177.300 -0.046 0.000 1.244 166 P CA -0.445 62.635 63.100 -0.033 0.000 0.784 166 P CB 1.392 33.074 31.700 -0.029 0.000 0.913 167 V N 2.524 122.402 119.914 -0.060 0.000 2.357 167 V HA 0.303 4.424 4.120 0.002 0.000 0.281 167 V C 0.745 176.752 176.094 -0.146 0.000 1.015 167 V CA -0.208 62.049 62.300 -0.072 0.000 0.827 167 V CB 0.964 32.762 31.823 -0.041 0.000 1.018 167 V HN 0.780 nan 8.190 nan 0.000 0.432 168 S N 2.802 118.384 115.700 -0.198 0.000 2.977 168 S HA 0.688 5.159 4.470 0.002 0.000 0.250 168 S C 0.623 175.077 174.600 -0.243 0.000 1.005 168 S CA 0.776 58.727 58.200 -0.414 0.000 1.081 168 S CB 0.744 63.593 63.200 -0.585 0.000 1.018 168 S HN 1.997 nan 8.310 nan 0.000 0.539 169 A N 0.861 123.624 122.820 -0.095 0.000 5.277 169 A HA -0.336 3.985 4.320 0.002 0.000 0.304 169 A C 1.799 179.369 177.584 -0.023 0.000 1.976 169 A CA 1.187 53.221 52.037 -0.004 0.000 0.715 169 A CB -2.406 16.655 19.000 0.102 0.000 1.275 169 A HN 1.349 nan 8.150 nan 0.000 0.367 170 C N 0.114 119.403 119.300 -0.019 0.000 2.410 170 C HA 0.256 4.717 4.460 0.002 0.000 0.281 170 C C 2.827 177.815 174.990 -0.003 0.000 1.318 170 C CA 1.624 60.636 59.018 -0.010 0.000 1.776 170 C CB -1.824 25.875 27.740 -0.069 0.000 1.942 170 C HN 1.554 nan 8.230 nan 0.000 0.508 171 A N 0.161 122.958 122.820 -0.038 0.000 2.348 171 A HA 0.205 4.526 4.320 0.002 0.000 0.224 171 A C 1.965 179.519 177.584 -0.049 0.000 1.227 171 A CA 0.539 52.544 52.037 -0.053 0.000 0.885 171 A CB -0.314 18.668 19.000 -0.031 0.000 0.933 171 A HN 0.457 nan 8.150 nan 0.000 0.506 172 S N 0.350 116.018 115.700 -0.054 0.000 2.374 172 S HA -0.159 4.312 4.470 0.002 0.000 0.227 172 S C 2.065 176.647 174.600 -0.031 0.000 1.037 172 S CA 1.604 59.773 58.200 -0.051 0.000 1.024 172 S CB -0.502 62.669 63.200 -0.048 0.000 0.861 172 S HN 0.753 nan 8.310 nan 0.000 0.456 173 G N 1.007 109.795 108.800 -0.021 0.000 2.422 173 G HA2 0.011 3.972 3.960 0.002 0.000 0.218 173 G HA3 0.011 3.972 3.960 0.002 0.000 0.218 173 G C 1.487 176.385 174.900 -0.003 0.000 1.146 173 G CA 0.867 45.960 45.100 -0.011 0.000 0.769 173 G HN 0.595 nan 8.290 nan 0.000 0.547 174 A N 0.497 123.311 122.820 -0.011 0.000 1.898 174 A HA 0.117 4.438 4.320 0.002 0.000 0.214 174 A C 2.096 179.678 177.584 -0.003 0.000 1.183 174 A CA 1.741 53.775 52.037 -0.005 0.000 0.622 174 A CB -0.368 18.613 19.000 -0.031 0.000 0.824 174 A HN 0.417 nan 8.150 nan 0.000 0.444 175 E N 0.013 120.207 120.200 -0.010 0.000 2.153 175 E HA -0.133 4.218 4.350 0.002 0.000 0.194 175 E C 2.077 178.679 176.600 0.004 0.000 0.988 175 E CA 0.915 57.313 56.400 -0.004 0.000 0.811 175 E CB -0.212 29.478 29.700 -0.016 0.000 0.746 175 E HN 0.551 nan 8.360 nan 0.000 0.466 176 A N 0.916 123.736 122.820 -0.000 0.000 1.902 176 A HA -0.176 4.145 4.320 0.002 0.000 0.217 176 A C 2.101 179.698 177.584 0.021 0.000 1.181 176 A CA 1.335 53.375 52.037 0.004 0.000 0.623 176 A CB -0.541 18.458 19.000 -0.003 0.000 0.818 176 A HN 0.321 nan 8.150 nan 0.000 0.443 177 I N -0.493 120.096 120.570 0.031 0.000 2.439 177 I HA -0.190 3.981 4.170 0.002 0.000 0.251 177 I C 2.884 179.042 176.117 0.067 0.000 1.139 177 I CA 0.814 62.147 61.300 0.056 0.000 1.438 177 I CB -0.327 37.718 38.000 0.075 0.000 1.085 177 I HN 0.345 nan 8.210 nan 0.000 0.427 178 A N 0.995 123.841 122.820 0.043 0.000 1.898 178 A HA -0.153 4.168 4.320 0.002 0.000 0.216 178 A C 2.375 180.031 177.584 0.120 0.000 1.181 178 A CA 1.221 53.298 52.037 0.067 0.000 0.620 178 A CB -0.356 18.660 19.000 0.026 0.000 0.819 178 A HN 0.218 nan 8.150 nan 0.000 0.442 179 R N -0.254 120.283 120.500 0.062 0.000 2.092 179 R HA -0.032 4.309 4.340 0.002 0.000 0.231 179 R C 2.417 178.731 176.300 0.023 0.000 1.119 179 R CA 1.341 57.462 56.100 0.034 0.000 0.970 179 R CB -1.182 29.125 30.300 0.010 0.000 0.864 179 R HN 0.531 nan 8.270 nan 0.000 0.440 180 A N 0.221 123.067 122.820 0.043 0.000 1.858 180 A HA -0.204 4.117 4.320 0.002 0.000 0.216 180 A C 2.076 179.678 177.584 0.029 0.000 1.190 180 A CA 1.373 53.427 52.037 0.028 0.000 0.617 180 A CB -1.018 18.010 19.000 0.047 0.000 0.827 180 A HN 0.548 nan 8.150 nan 0.000 0.443 181 W N 0.697 121.939 121.300 -0.096 0.000 2.363 181 W HA -0.194 4.469 4.660 0.004 0.000 0.296 181 W C 2.311 178.722 176.519 -0.180 0.000 1.212 181 W CA 2.018 59.285 57.345 -0.131 0.000 1.260 181 W CB -0.171 29.200 29.460 -0.148 0.000 1.131 181 W HN 0.467 nan 8.180 nan 0.000 0.530 182 Q N -0.451 119.279 119.800 -0.118 0.000 2.016 182 Q HA -0.261 4.080 4.340 0.002 0.000 0.200 182 Q C 2.360 178.116 176.000 -0.406 0.000 0.978 182 Q CA 1.573 57.160 55.803 -0.361 0.000 0.833 182 Q CB -0.551 28.134 28.738 -0.088 0.000 0.895 182 Q HN 0.294 nan 8.270 nan 0.000 0.427 183 Q N 0.269 119.930 119.800 -0.232 0.000 2.061 183 Q HA -0.172 4.169 4.340 0.002 0.000 0.204 183 Q C 2.195 178.051 176.000 -0.241 0.000 0.984 183 Q CA 1.119 56.807 55.803 -0.192 0.000 0.846 183 Q CB -0.258 28.412 28.738 -0.112 0.000 0.902 183 Q HN 0.400 nan 8.270 nan 0.000 0.421 184 I N -0.035 120.371 120.570 -0.273 0.000 2.179 184 I HA -0.191 3.980 4.170 0.002 0.000 0.242 184 I C 2.456 178.360 176.117 -0.354 0.000 1.088 184 I CA 0.883 62.027 61.300 -0.259 0.000 1.357 184 I CB -1.380 36.482 38.000 -0.231 0.000 1.051 184 I HN -0.003 nan 8.210 nan 0.000 0.409 185 V N 0.707 120.236 119.914 -0.642 0.000 2.759 185 V HA -0.167 3.954 4.120 0.002 0.000 0.256 185 V C 2.359 178.140 176.094 -0.523 0.000 1.080 185 V CA 1.087 62.928 62.300 -0.764 0.000 1.101 185 V CB -0.132 30.794 31.823 -1.494 0.000 0.698 185 V HN 0.335 nan 8.190 nan 0.000 0.477 186 L N -0.074 120.885 121.223 -0.441 0.000 2.418 186 L HA 0.241 4.582 4.340 0.002 0.000 0.218 186 L C 1.477 178.273 176.870 -0.122 0.000 1.125 186 L CA 1.093 55.790 54.840 -0.239 0.000 0.835 186 L CB 0.002 41.932 42.059 -0.214 0.000 0.953 186 L HN 0.494 nan 8.230 nan 0.000 0.454 187 G N -0.474 108.247 108.800 -0.131 0.000 2.131 187 G HA2 -0.197 3.764 3.960 0.002 0.000 0.201 187 G HA3 -0.197 3.764 3.960 0.002 0.000 0.201 187 G C 0.526 175.391 174.900 -0.059 0.000 1.000 187 G CA 0.251 45.308 45.100 -0.071 0.000 0.680 187 G HN 0.375 nan 8.290 nan 0.000 0.514 188 E N -0.565 119.588 120.200 -0.079 0.000 2.452 188 E HA 0.517 4.868 4.350 0.002 0.000 0.197 188 E C 1.115 177.685 176.600 -0.048 0.000 1.022 188 E CA 1.062 57.428 56.400 -0.058 0.000 0.890 188 E CB 0.918 30.578 29.700 -0.067 0.000 0.918 188 E HN 1.330 nan 8.360 nan 0.000 0.496 189 A N 0.209 122.993 122.820 -0.060 0.000 2.540 189 A HA 0.458 4.779 4.320 0.002 0.000 0.291 189 A C -1.024 176.528 177.584 -0.054 0.000 1.083 189 A CA -0.560 51.449 52.037 -0.046 0.000 0.650 189 A CB 0.758 19.727 19.000 -0.053 0.000 1.292 189 A HN -0.123 nan 8.150 nan 0.000 0.435 190 D N -0.524 119.844 120.400 -0.053 0.000 2.500 190 D HA 0.502 5.144 4.640 0.002 0.000 0.218 190 D C 0.124 176.264 176.300 -0.265 0.000 1.140 190 D CA 1.299 55.248 54.000 -0.085 0.000 0.830 190 D CB 1.366 42.219 40.800 0.089 0.000 1.055 190 D HN 1.031 nan 8.370 nan 0.000 0.512 191 A N 0.235 122.936 122.820 -0.200 0.000 2.589 191 A HA 0.803 5.124 4.320 0.002 0.000 0.296 191 A C -1.620 175.916 177.584 -0.079 0.000 1.062 191 A CA -0.302 51.614 52.037 -0.200 0.000 0.686 191 A CB 1.689 20.514 19.000 -0.291 0.000 1.282 191 A HN 0.060 nan 8.150 nan 0.000 0.404 192 A N 1.037 123.828 122.820 -0.049 0.000 2.574 192 A HA 0.737 5.058 4.320 0.002 0.000 0.297 192 A C -1.314 176.280 177.584 0.017 0.000 1.062 192 A CA -0.348 51.685 52.037 -0.005 0.000 0.686 192 A CB 0.842 19.834 19.000 -0.014 0.000 1.285 192 A HN 0.916 nan 8.150 nan 0.000 0.403 193 I N 1.879 122.473 120.570 0.041 0.000 2.321 193 I HA 0.472 4.643 4.170 0.002 0.000 0.291 193 I C -0.021 176.110 176.117 0.023 0.000 0.998 193 I CA -0.321 61.007 61.300 0.047 0.000 1.227 193 I CB 1.022 39.069 38.000 0.078 0.000 1.368 193 I HN 0.832 nan 8.210 nan 0.000 0.466 194 C N 3.289 122.601 119.300 0.021 0.000 3.080 194 C HA 1.070 5.531 4.460 0.002 0.000 0.307 194 C C 0.212 175.210 174.990 0.012 0.000 1.311 194 C CA -0.334 58.694 59.018 0.016 0.000 1.533 194 C CB 0.943 28.699 27.740 0.028 0.000 1.970 194 C HN 1.072 nan 8.230 nan 0.000 0.467 195 G N -0.289 108.514 108.800 0.005 0.000 2.356 195 G HA2 0.628 4.589 3.960 0.002 0.000 0.266 195 G HA3 0.628 4.589 3.960 0.002 0.000 0.266 195 G C -0.721 174.171 174.900 -0.012 0.000 1.312 195 G CA 0.295 45.395 45.100 -0.000 0.000 0.922 195 G HN 2.207 nan 8.290 nan 0.000 0.480 196 G N -1.654 107.135 108.800 -0.018 0.000 2.696 196 G HA2 0.745 4.706 3.960 0.002 0.000 0.295 196 G HA3 0.745 4.706 3.960 0.002 0.000 0.295 196 G C -1.647 173.234 174.900 -0.032 0.000 1.398 196 G CA -0.064 45.022 45.100 -0.024 0.000 0.920 196 G HN 1.355 nan 8.290 nan 0.000 0.492 197 V N 0.258 120.148 119.914 -0.041 0.000 2.823 197 V HA 0.806 4.928 4.120 0.002 0.000 0.312 197 V C -0.758 175.324 176.094 -0.021 0.000 1.072 197 V CA -0.742 61.527 62.300 -0.051 0.000 0.937 197 V CB 2.106 33.868 31.823 -0.102 0.000 1.013 197 V HN 0.846 nan 8.190 nan 0.000 0.430 198 E N 1.080 121.284 120.200 0.008 0.000 2.331 198 E HA 0.583 4.934 4.350 0.002 0.000 0.275 198 E C -0.128 176.558 176.600 0.144 0.000 0.895 198 E CA -0.396 56.029 56.400 0.042 0.000 0.753 198 E CB 2.078 31.789 29.700 0.019 0.000 1.216 198 E HN 0.887 nan 8.360 nan 0.000 0.434 199 T N 0.464 115.115 114.554 0.161 0.000 2.750 199 T HA 0.376 4.728 4.350 0.002 0.000 0.351 199 T C 0.637 175.435 174.700 0.164 0.000 1.082 199 T CA -0.505 61.762 62.100 0.279 0.000 1.022 199 T CB 0.292 69.234 68.868 0.123 0.000 1.249 199 T HN 0.384 nan 8.240 nan 0.000 0.520 200 R N -0.443 120.056 120.500 -0.001 0.000 2.583 200 R HA 0.406 4.747 4.340 0.002 0.000 0.268 200 R C 0.171 176.455 176.300 -0.026 0.000 1.101 200 R CA -0.701 55.382 56.100 -0.029 0.000 1.180 200 R CB 0.366 30.582 30.300 -0.140 0.000 1.128 200 R HN 0.572 nan 8.270 nan 0.000 0.568 201 I N 3.019 123.604 120.570 0.025 0.000 2.578 201 I HA -0.052 4.120 4.170 0.002 0.000 0.286 201 I C 0.512 176.665 176.117 0.059 0.000 1.126 201 I CA 0.658 61.979 61.300 0.035 0.000 1.380 201 I CB -0.033 38.051 38.000 0.139 0.000 1.408 201 I HN 0.259 nan 8.210 nan 0.000 0.532 202 E N 4.774 124.961 120.200 -0.021 0.000 2.232 202 E HA 0.415 4.767 4.350 0.002 0.000 0.264 202 E C 0.505 177.081 176.600 -0.039 0.000 0.973 202 E CA -0.594 55.746 56.400 -0.101 0.000 0.849 202 E CB 1.767 31.389 29.700 -0.129 0.000 1.198 202 E HN 0.597 nan 8.360 nan 0.000 0.407 203 A N 1.088 123.816 122.820 -0.153 0.000 2.123 203 A HA -0.030 4.292 4.320 0.002 0.000 0.214 203 A C 1.871 179.471 177.584 0.027 0.000 1.152 203 A CA 0.642 52.676 52.037 -0.004 0.000 0.728 203 A CB -0.408 18.576 19.000 -0.027 0.000 0.814 203 A HN 0.339 nan 8.150 nan 0.000 0.464 204 V N 0.939 120.843 119.914 -0.017 0.000 2.295 204 V HA -0.155 3.966 4.120 0.002 0.000 0.246 204 V C 0.279 176.426 176.094 0.088 0.000 1.049 204 V CA 2.098 64.408 62.300 0.015 0.000 1.024 204 V CB -2.059 29.756 31.823 -0.013 0.000 0.648 204 V HN 0.490 nan 8.190 nan 0.000 0.447 205 P HA -0.058 nan 4.420 nan 0.000 0.215 205 P C 1.954 179.494 177.300 0.400 0.000 1.157 205 P CA 1.423 64.689 63.100 0.278 0.000 0.856 205 P CB -0.005 31.807 31.700 0.187 0.000 0.786 206 I N 0.351 121.131 120.570 0.350 0.000 2.208 206 I HA -0.261 3.911 4.170 0.002 0.000 0.245 206 I C 2.665 178.916 176.117 0.222 0.000 1.097 206 I CA 1.471 62.970 61.300 0.331 0.000 1.363 206 I CB -0.959 37.216 38.000 0.291 0.000 1.051 206 I HN -0.079 nan 8.210 nan 0.000 0.413 207 A N 1.015 123.933 122.820 0.163 0.000 1.873 207 A HA -0.171 4.150 4.320 0.002 0.000 0.218 207 A C 2.210 179.841 177.584 0.077 0.000 1.193 207 A CA 2.049 54.145 52.037 0.099 0.000 0.629 207 A CB -1.430 17.610 19.000 0.065 0.000 0.826 207 A HN 0.477 nan 8.150 nan 0.000 0.447 208 G N -3.673 105.173 108.800 0.076 0.000 3.332 208 G HA2 0.348 4.309 3.960 0.002 0.000 0.242 208 G HA3 0.348 4.309 3.960 0.002 0.000 0.242 208 G C 0.433 175.235 174.900 -0.164 0.000 1.276 208 G CA 0.272 45.344 45.100 -0.046 0.000 0.988 208 G HN 0.350 nan 8.290 nan 0.000 0.517 209 F N -1.002 118.957 119.950 0.015 0.000 2.665 209 F HA 0.300 4.828 4.527 0.002 0.000 0.328 209 F C 2.227 177.991 175.800 -0.061 0.000 0.848 209 F CA 0.136 58.132 58.000 -0.007 0.000 1.071 209 F CB -0.017 39.024 39.000 0.069 0.000 0.906 209 F HN 0.117 nan 8.300 nan 0.000 0.654 210 A N -0.272 122.630 122.820 0.136 0.000 2.172 210 A HA -0.131 4.190 4.320 0.002 0.000 0.216 210 A C 1.760 179.338 177.584 -0.011 0.000 1.154 210 A CA 1.377 53.418 52.037 0.008 0.000 0.701 210 A CB -0.562 18.439 19.000 0.001 0.000 0.789 210 A HN 0.524 nan 8.150 nan 0.000 0.465 211 Q N -1.246 118.554 119.800 -0.000 0.000 2.398 211 Q HA 0.068 4.409 4.340 0.002 0.000 0.204 211 Q C 1.345 177.332 176.000 -0.021 0.000 0.932 211 Q CA 0.102 55.895 55.803 -0.017 0.000 0.916 211 Q CB -0.026 28.697 28.738 -0.024 0.000 1.024 211 Q HN 0.548 nan 8.270 nan 0.000 0.504 212 M N -0.005 119.585 119.600 -0.018 0.000 2.272 212 M HA 0.037 4.518 4.480 0.002 0.000 0.205 212 M C 0.818 177.120 176.300 0.003 0.000 1.419 212 M CA 1.015 56.309 55.300 -0.011 0.000 1.700 212 M CB -0.272 32.320 32.600 -0.014 0.000 1.019 212 M HN -0.150 nan 8.290 nan 0.000 0.821 213 R N 0.449 120.960 120.500 0.018 0.000 2.533 213 R HA 0.335 4.676 4.340 0.002 0.000 0.268 213 R C -0.174 176.137 176.300 0.018 0.000 1.303 213 R CA 0.100 56.208 56.100 0.013 0.000 1.429 213 R CB -0.453 29.866 30.300 0.031 0.000 1.361 213 R HN 0.678 nan 8.270 nan 0.000 0.745 214 I N -4.351 116.203 120.570 -0.025 0.000 4.147 214 I HA 0.233 4.405 4.170 0.002 0.000 0.278 214 I C 0.451 176.368 176.117 -0.333 0.000 1.133 214 I CA -0.202 61.078 61.300 -0.034 0.000 1.317 214 I CB 0.373 38.458 38.000 0.142 0.000 1.688 214 I HN -0.156 nan 8.210 nan 0.000 0.432 215 V N 3.373 122.973 119.914 -0.524 0.000 3.546 215 V HA -0.029 4.092 4.120 0.002 0.000 0.272 215 V C 2.284 178.107 176.094 -0.451 0.000 1.228 215 V CA 0.677 62.473 62.300 -0.840 0.000 1.184 215 V CB -1.147 30.289 31.823 -0.646 0.000 0.886 215 V HN 0.448 nan 8.190 nan 0.000 0.508 216 M N 0.124 119.556 119.600 -0.281 0.000 2.699 216 M HA -0.111 4.370 4.480 0.002 0.000 0.253 216 M C 1.515 177.720 176.300 -0.158 0.000 1.062 216 M CA 0.977 56.179 55.300 -0.164 0.000 1.050 216 M CB -1.315 31.227 32.600 -0.097 0.000 1.380 216 M HN 0.415 nan 8.290 nan 0.000 0.520 217 S N 1.254 116.819 115.700 -0.226 0.000 4.175 217 S HA 0.071 4.542 4.470 0.002 0.000 0.193 217 S C 0.379 174.892 174.600 -0.144 0.000 1.373 217 S CA -0.054 58.045 58.200 -0.169 0.000 0.908 217 S CB -0.578 62.508 63.200 -0.191 0.000 1.547 217 S HN 0.357 nan 8.310 nan 0.000 0.440 218 T N 3.478 117.968 114.554 -0.107 0.000 3.213 218 T HA 0.202 4.554 4.350 0.002 0.000 0.240 218 T C 0.261 174.927 174.700 -0.056 0.000 1.033 218 T CA -0.379 61.673 62.100 -0.081 0.000 1.087 218 T CB -0.536 68.290 68.868 -0.070 0.000 1.119 218 T HN 0.434 nan 8.240 nan 0.000 0.571 219 N N 1.760 120.427 118.700 -0.054 0.000 2.839 219 N HA 0.180 4.921 4.740 0.002 0.000 0.314 219 N C 1.278 176.767 175.510 -0.035 0.000 1.449 219 N CA -0.403 52.624 53.050 -0.039 0.000 1.050 219 N CB 0.027 38.493 38.487 -0.035 0.000 1.364 219 N HN 0.175 nan 8.380 nan 0.000 0.512 220 N N 0.518 119.197 118.700 -0.035 0.000 2.061 220 N HA -0.193 4.548 4.740 0.002 0.000 0.193 220 N C 0.307 175.801 175.510 -0.026 0.000 1.030 220 N CA 1.356 54.388 53.050 -0.031 0.000 0.856 220 N CB -0.304 38.165 38.487 -0.029 0.000 1.023 220 N HN 0.580 nan 8.380 nan 0.000 0.424 221 D N 0.243 120.629 120.400 -0.022 0.000 2.387 221 D HA -0.039 4.602 4.640 0.002 0.000 0.257 221 D C -0.404 175.886 176.300 -0.017 0.000 1.198 221 D CA 0.493 54.482 54.000 -0.018 0.000 0.945 221 D CB -0.437 40.354 40.800 -0.016 0.000 0.907 221 D HN 0.142 nan 8.370 nan 0.000 0.518 222 D N -1.379 119.010 120.400 -0.019 0.000 3.171 222 D HA 0.095 4.736 4.640 0.002 0.000 0.240 222 D C -2.254 174.035 176.300 -0.018 0.000 1.432 222 D CA -1.235 52.755 54.000 -0.016 0.000 0.892 222 D CB 0.731 41.523 40.800 -0.013 0.000 1.499 222 D HN -0.201 nan 8.370 nan 0.000 0.597 223 P HA -0.189 nan 4.420 nan 0.000 0.203 223 P C 1.393 178.684 177.300 -0.015 0.000 1.087 223 P CA 2.516 65.603 63.100 -0.022 0.000 0.952 223 P CB 0.169 31.854 31.700 -0.025 0.000 0.758 224 A N -0.757 122.057 122.820 -0.010 0.000 1.997 224 A HA -0.077 4.244 4.320 0.002 0.000 0.221 224 A C 1.666 179.248 177.584 -0.003 0.000 1.172 224 A CA 1.887 53.922 52.037 -0.003 0.000 0.645 224 A CB -1.696 17.305 19.000 0.001 0.000 0.813 224 A HN 0.366 nan 8.150 nan 0.000 0.454 225 G N -2.304 106.492 108.800 -0.006 0.000 3.005 225 G HA2 0.571 4.533 3.960 0.002 0.000 0.342 225 G HA3 0.571 4.533 3.960 0.002 0.000 0.342 225 G C 0.157 175.050 174.900 -0.012 0.000 1.101 225 G CA 0.647 45.743 45.100 -0.006 0.000 1.225 225 G HN 0.814 nan 8.290 nan 0.000 0.462 226 A N 1.534 124.344 122.820 -0.015 0.000 1.594 226 A HA 0.262 4.584 4.320 0.002 0.000 0.200 226 A C 0.975 178.543 177.584 -0.027 0.000 1.674 226 A CA 0.330 52.353 52.037 -0.024 0.000 1.272 226 A CB -0.226 18.755 19.000 -0.032 0.000 1.157 226 A HN 1.001 nan 8.150 nan 0.000 0.486 227 C N 3.119 122.404 119.300 -0.025 0.000 2.629 227 C HA 0.665 5.126 4.460 0.002 0.000 0.410 227 C C 0.064 175.032 174.990 -0.037 0.000 1.339 227 C CA -0.149 58.852 59.018 -0.029 0.000 1.810 227 C CB -1.274 26.454 27.740 -0.020 0.000 2.549 227 C HN 0.392 nan 8.230 nan 0.000 0.589 228 R N 5.536 126.008 120.500 -0.047 0.000 2.576 228 R HA 0.235 4.576 4.340 0.002 0.000 0.283 228 R C -2.300 173.938 176.300 -0.102 0.000 1.493 228 R CA -1.300 54.772 56.100 -0.047 0.000 1.170 228 R CB 1.159 31.452 30.300 -0.012 0.000 1.189 228 R HN 0.433 nan 8.270 nan 0.000 0.542 229 P HA -0.215 nan 4.420 nan 0.000 0.214 229 P C 0.177 177.137 177.300 -0.566 0.000 1.164 229 P CA 1.786 64.584 63.100 -0.505 0.000 0.942 229 P CB 0.125 31.413 31.700 -0.688 0.000 0.791 230 F N -3.175 116.782 119.950 0.013 0.000 2.668 230 F HA 0.257 4.785 4.527 0.002 0.000 0.301 230 F C 0.747 176.561 175.800 0.023 0.000 1.106 230 F CA -0.702 57.312 58.000 0.023 0.000 1.289 230 F CB -0.421 38.594 39.000 0.026 0.000 1.006 230 F HN -0.150 nan 8.300 nan 0.000 0.535 231 D N 1.239 121.713 120.400 0.124 0.000 2.341 231 D HA 0.055 4.696 4.640 0.002 0.000 0.245 231 D C 1.593 177.936 176.300 0.071 0.000 1.106 231 D CA -0.007 54.048 54.000 0.091 0.000 0.905 231 D CB 1.038 41.871 40.800 0.054 0.000 1.202 231 D HN 0.131 nan 8.370 nan 0.000 0.426 232 R N 2.025 122.563 120.500 0.063 0.000 2.096 232 R HA -0.104 4.238 4.340 0.002 0.000 0.235 232 R C -0.020 176.302 176.300 0.036 0.000 1.127 232 R CA 1.035 57.166 56.100 0.051 0.000 0.968 232 R CB 0.179 30.505 30.300 0.043 0.000 0.861 232 R HN 0.456 nan 8.270 nan 0.000 0.440 233 D N 1.523 121.940 120.400 0.028 0.000 3.168 233 D HA 0.021 4.662 4.640 0.002 0.000 0.255 233 D C -0.581 175.725 176.300 0.009 0.000 1.314 233 D CA -0.066 53.944 54.000 0.017 0.000 0.900 233 D CB 0.240 41.048 40.800 0.013 0.000 1.072 233 D HN 0.357 nan 8.370 nan 0.000 0.487 234 R N 0.538 121.045 120.500 0.010 0.000 2.196 234 R HA 0.173 4.514 4.340 0.002 0.000 0.340 234 R C 0.369 176.665 176.300 -0.007 0.000 1.043 234 R CA -0.537 55.562 56.100 -0.003 0.000 0.883 234 R CB 0.771 31.067 30.300 -0.007 0.000 1.078 234 R HN -0.170 nan 8.270 nan 0.000 0.462 235 D N 3.043 123.430 120.400 -0.022 0.000 2.084 235 D HA -0.005 4.636 4.640 0.002 0.000 0.199 235 D C 0.837 177.104 176.300 -0.054 0.000 0.981 235 D CA 1.254 55.232 54.000 -0.036 0.000 0.841 235 D CB -0.097 40.674 40.800 -0.049 0.000 0.997 235 D HN 0.593 nan 8.370 nan 0.000 0.454 236 G N -1.339 107.415 108.800 -0.078 0.000 2.753 236 G HA2 0.498 4.459 3.960 0.002 0.000 0.303 236 G HA3 0.498 4.459 3.960 0.002 0.000 0.303 236 G C -1.535 173.329 174.900 -0.060 0.000 1.242 236 G CA -0.504 44.523 45.100 -0.121 0.000 0.810 236 G HN 0.271 nan 8.290 nan 0.000 0.515 237 F N -0.430 119.473 119.950 -0.078 0.000 2.556 237 F HA 0.884 5.412 4.527 0.002 0.000 0.327 237 F C -0.485 175.227 175.800 -0.146 0.000 1.059 237 F CA -1.676 56.279 58.000 -0.074 0.000 0.953 237 F CB 1.584 40.600 39.000 0.027 0.000 1.227 237 F HN 0.366 nan 8.300 nan 0.000 0.478 238 V N 1.763 121.817 119.914 0.233 0.000 2.881 238 V HA 0.441 4.562 4.120 0.002 0.000 0.316 238 V C -0.901 175.393 176.094 0.334 0.000 1.070 238 V CA -0.734 61.635 62.300 0.115 0.000 0.976 238 V CB 1.777 33.643 31.823 0.071 0.000 1.038 238 V HN 0.657 nan 8.190 nan 0.000 0.446 239 F N 1.740 121.824 119.950 0.224 0.000 2.415 239 F HA 0.801 5.329 4.527 0.002 0.000 0.348 239 F C 0.714 176.591 175.800 0.128 0.000 1.119 239 F CA -1.051 57.065 58.000 0.194 0.000 1.069 239 F CB 1.486 40.583 39.000 0.161 0.000 1.124 239 F HN 0.616 nan 8.300 nan 0.000 0.472 240 G N 3.051 112.045 108.800 0.322 0.000 2.563 240 G HA2 0.556 4.518 3.960 0.002 0.000 0.302 240 G HA3 0.556 4.518 3.960 0.002 0.000 0.302 240 G C -1.131 173.857 174.900 0.146 0.000 1.301 240 G CA -0.665 44.552 45.100 0.195 0.000 0.965 240 G HN 0.495 nan 8.290 nan 0.000 0.480 241 E N -0.934 119.351 120.200 0.141 0.000 2.312 241 E HA 0.677 5.029 4.350 0.002 0.000 0.259 241 E C 0.392 177.070 176.600 0.129 0.000 1.122 241 E CA 0.082 56.562 56.400 0.134 0.000 0.922 241 E CB 1.691 31.492 29.700 0.168 0.000 1.109 241 E HN 0.922 nan 8.360 nan 0.000 0.442 242 G N -1.159 107.720 108.800 0.131 0.000 2.339 242 G HA2 0.449 4.410 3.960 0.002 0.000 0.302 242 G HA3 0.449 4.410 3.960 0.002 0.000 0.302 242 G C -1.309 173.639 174.900 0.080 0.000 1.425 242 G CA -0.388 44.779 45.100 0.112 0.000 0.899 242 G HN 0.676 nan 8.290 nan 0.000 0.619 243 G N -1.393 107.443 108.800 0.059 0.000 2.746 243 G HA2 0.992 4.953 3.960 0.002 0.000 0.297 243 G HA3 0.992 4.953 3.960 0.002 0.000 0.297 243 G C -0.789 174.116 174.900 0.007 0.000 1.426 243 G CA 0.435 45.541 45.100 0.010 0.000 0.989 243 G HN 2.063 nan 8.290 nan 0.000 0.520 244 A N 1.298 124.112 122.820 -0.009 0.000 2.459 244 A HA 0.848 5.169 4.320 0.002 0.000 0.296 244 A C -1.189 176.386 177.584 -0.015 0.000 1.039 244 A CA -0.466 51.566 52.037 -0.008 0.000 0.698 244 A CB 1.268 20.265 19.000 -0.004 0.000 1.261 244 A HN 0.795 nan 8.150 nan 0.000 0.405 245 L N 1.818 123.032 121.223 -0.015 0.000 2.388 245 L HA 0.737 5.078 4.340 0.002 0.000 0.264 245 L C -1.289 175.577 176.870 -0.008 0.000 0.998 245 L CA -0.827 54.007 54.840 -0.010 0.000 0.817 245 L CB 2.193 44.246 42.059 -0.010 0.000 1.338 245 L HN 0.655 nan 8.230 nan 0.000 0.414 246 L N 2.147 123.371 121.223 0.002 0.000 2.350 246 L HA 0.542 4.883 4.340 0.002 0.000 0.260 246 L C -1.001 175.870 176.870 0.001 0.000 1.015 246 L CA -0.413 54.426 54.840 -0.001 0.000 0.821 246 L CB 2.094 44.164 42.059 0.018 0.000 1.370 246 L HN 0.308 nan 8.230 nan 0.000 0.416 247 L N 3.610 124.819 121.223 -0.022 0.000 2.313 247 L HA 0.611 4.952 4.340 0.002 0.000 0.273 247 L C -0.531 176.314 176.870 -0.042 0.000 1.028 247 L CA -0.150 54.662 54.840 -0.047 0.000 0.871 247 L CB 0.384 42.376 42.059 -0.112 0.000 1.242 247 L HN 0.485 nan 8.230 nan 0.000 0.434 248 I N 2.091 122.651 120.570 -0.017 0.000 2.577 248 I HA 0.865 5.036 4.170 0.002 0.000 0.305 248 I C -0.813 175.276 176.117 -0.047 0.000 0.986 248 I CA -0.363 60.938 61.300 0.003 0.000 1.189 248 I CB 1.897 39.936 38.000 0.066 0.000 1.355 248 I HN 0.777 nan 8.210 nan 0.000 0.476 249 E N 2.157 122.329 120.200 -0.045 0.000 2.389 249 E HA 0.247 4.598 4.350 0.002 0.000 0.281 249 E C -1.139 175.439 176.600 -0.036 0.000 1.072 249 E CA -1.017 55.319 56.400 -0.106 0.000 0.845 249 E CB 1.019 30.595 29.700 -0.207 0.000 1.239 249 E HN 0.787 nan 8.360 nan 0.000 0.434 250 T N -1.064 113.477 114.554 -0.022 0.000 2.932 250 T HA 0.036 4.387 4.350 0.002 0.000 0.312 250 T C 0.917 175.673 174.700 0.094 0.000 1.071 250 T CA 0.239 62.375 62.100 0.061 0.000 1.128 250 T CB 1.301 70.216 68.868 0.079 0.000 0.984 250 T HN 0.699 nan 8.240 nan 0.000 0.549 251 E N 0.585 120.860 120.200 0.126 0.000 2.110 251 E HA -0.187 4.164 4.350 0.002 0.000 0.193 251 E C 2.035 178.693 176.600 0.097 0.000 0.988 251 E CA 1.235 57.698 56.400 0.106 0.000 0.804 251 E CB 0.005 29.802 29.700 0.163 0.000 0.745 251 E HN 0.916 nan 8.360 nan 0.000 0.458 252 E N -0.367 119.901 120.200 0.114 0.000 2.077 252 E HA -0.244 4.107 4.350 0.002 0.000 0.193 252 E C 2.144 178.795 176.600 0.084 0.000 0.989 252 E CA 0.897 57.350 56.400 0.088 0.000 0.800 252 E CB -0.079 29.672 29.700 0.085 0.000 0.746 252 E HN 0.332 nan 8.360 nan 0.000 0.452 253 H N 0.209 119.287 119.070 0.013 0.000 2.293 253 H HA -0.070 4.487 4.556 0.001 0.000 0.300 253 H C 1.899 177.216 175.328 -0.017 0.000 1.082 253 H CA 1.870 57.918 56.048 -0.001 0.000 1.308 253 H CB -0.242 29.517 29.762 -0.004 0.000 1.375 253 H HN 0.256 nan 8.280 nan 0.000 0.495 254 A N 1.426 124.364 122.820 0.195 0.000 1.917 254 A HA -0.209 4.112 4.320 0.002 0.000 0.219 254 A C 2.503 180.102 177.584 0.026 0.000 1.182 254 A CA 2.042 54.128 52.037 0.081 0.000 0.633 254 A CB -0.446 18.545 19.000 -0.015 0.000 0.819 254 A HN 0.485 nan 8.150 nan 0.000 0.448 255 K N -0.493 119.921 120.400 0.024 0.000 2.148 255 K HA 0.017 4.338 4.320 0.002 0.000 0.204 255 K C 2.297 178.896 176.600 -0.002 0.000 1.050 255 K CA 0.885 57.181 56.287 0.015 0.000 0.942 255 K CB -0.301 32.219 32.500 0.034 0.000 0.724 255 K HN 0.459 nan 8.250 nan 0.000 0.446 256 A N 2.331 125.138 122.820 -0.022 0.000 1.883 256 A HA -0.202 4.119 4.320 0.002 0.000 0.217 256 A C 1.942 179.499 177.584 -0.045 0.000 1.186 256 A CA 1.612 53.618 52.037 -0.051 0.000 0.624 256 A CB -0.469 18.462 19.000 -0.114 0.000 0.822 256 A HN 0.413 nan 8.150 nan 0.000 0.444 257 R N -0.500 119.975 120.500 -0.042 0.000 2.391 257 R HA 0.351 4.692 4.340 0.002 0.000 0.249 257 R C 0.744 177.032 176.300 -0.019 0.000 0.957 257 R CA 0.392 56.476 56.100 -0.027 0.000 1.093 257 R CB -0.935 29.356 30.300 -0.015 0.000 1.156 257 R HN 0.672 nan 8.270 nan 0.000 0.526 258 G N 0.910 109.701 108.800 -0.015 0.000 2.247 258 G HA2 -0.198 3.763 3.960 0.002 0.000 0.260 258 G HA3 -0.198 3.763 3.960 0.002 0.000 0.260 258 G C 0.001 174.886 174.900 -0.026 0.000 0.852 258 G CA 0.316 45.409 45.100 -0.013 0.000 1.281 258 G HN 0.692 nan 8.290 nan 0.000 0.378 259 A N 1.287 124.085 122.820 -0.037 0.000 2.299 259 A HA 0.816 5.137 4.320 0.002 0.000 0.332 259 A C 0.283 177.826 177.584 -0.069 0.000 1.131 259 A CA -0.350 51.649 52.037 -0.063 0.000 0.844 259 A CB 1.073 20.025 19.000 -0.080 0.000 1.251 259 A HN 1.066 nan 8.150 nan 0.000 0.486 260 N N 0.480 119.134 118.700 -0.077 0.000 2.414 260 N HA 0.407 5.148 4.740 0.002 0.000 0.256 260 N C -1.005 174.440 175.510 -0.109 0.000 1.029 260 N CA -0.076 52.932 53.050 -0.070 0.000 0.948 260 N CB 0.056 38.511 38.487 -0.053 0.000 1.102 260 N HN 0.470 nan 8.380 nan 0.000 0.496 261 I N 4.305 124.786 120.570 -0.149 0.000 2.331 261 I HA 0.124 4.295 4.170 0.002 0.000 0.292 261 I C 0.409 176.462 176.117 -0.106 0.000 0.998 261 I CA -0.672 60.477 61.300 -0.251 0.000 1.267 261 I CB 1.287 38.854 38.000 -0.722 0.000 1.386 261 I HN 0.507 nan 8.210 nan 0.000 0.476 262 L N 5.759 126.936 121.223 -0.076 0.000 2.221 262 L HA 0.397 4.738 4.340 0.002 0.000 0.202 262 L C 0.889 177.783 176.870 0.041 0.000 1.074 262 L CA 0.940 55.766 54.840 -0.024 0.000 0.795 262 L CB -0.517 41.498 42.059 -0.074 0.000 0.960 262 L HN 0.796 nan 8.230 nan 0.000 0.458 263 A N -1.338 121.515 122.820 0.054 0.000 3.201 263 A HA 0.783 5.104 4.320 0.002 0.000 0.303 263 A C -1.131 176.571 177.584 0.197 0.000 1.173 263 A CA -0.529 51.603 52.037 0.159 0.000 0.621 263 A CB 1.078 20.159 19.000 0.135 0.000 1.468 263 A HN -0.035 nan 8.150 nan 0.000 0.632 264 R N -0.161 120.513 120.500 0.289 0.000 2.584 264 R HA 0.589 4.930 4.340 0.002 0.000 0.276 264 R C -1.953 174.506 176.300 0.266 0.000 1.046 264 R CA -0.501 55.766 56.100 0.279 0.000 0.906 264 R CB 1.525 32.028 30.300 0.338 0.000 1.215 264 R HN 0.821 nan 8.270 nan 0.000 0.449 265 I N 5.941 126.610 120.570 0.166 0.000 2.325 265 I HA 0.185 4.356 4.170 0.002 0.000 0.291 265 I C -0.007 176.024 176.117 -0.144 0.000 1.019 265 I CA -0.229 60.987 61.300 -0.139 0.000 1.302 265 I CB 0.937 38.831 38.000 -0.176 0.000 1.401 265 I HN 0.881 nan 8.210 nan 0.000 0.485 266 M N 6.635 126.031 119.600 -0.339 0.000 2.304 266 M HA 0.387 4.868 4.480 0.002 0.000 0.281 266 M C 0.431 176.413 176.300 -0.530 0.000 1.014 266 M CA -0.086 55.082 55.300 -0.221 0.000 1.054 266 M CB 1.136 33.672 32.600 -0.106 0.000 1.551 266 M HN 0.655 nan 8.290 nan 0.000 0.548 267 G N 0.544 108.763 108.800 -0.969 0.000 2.547 267 G HA2 0.746 4.707 3.960 0.002 0.000 0.291 267 G HA3 0.746 4.707 3.960 0.002 0.000 0.291 267 G C -2.193 172.091 174.900 -1.027 0.000 1.471 267 G CA -0.290 44.157 45.100 -1.088 0.000 0.798 267 G HN 0.191 nan 8.290 nan 0.000 0.504 268 A N -0.432 121.909 122.820 -0.798 0.000 2.560 268 A HA 0.836 5.157 4.320 0.002 0.000 0.300 268 A C -0.740 176.726 177.584 -0.197 0.000 1.062 268 A CA 0.324 52.097 52.037 -0.441 0.000 0.767 268 A CB 1.244 19.992 19.000 -0.421 0.000 1.288 268 A HN 1.922 nan 8.150 nan 0.000 0.396 269 S N 1.164 116.804 115.700 -0.100 0.000 2.599 269 S HA 0.898 5.369 4.470 0.002 0.000 0.294 269 S C -0.991 173.628 174.600 0.031 0.000 1.094 269 S CA -0.534 57.659 58.200 -0.011 0.000 0.931 269 S CB 0.857 64.056 63.200 -0.001 0.000 1.093 269 S HN 0.713 nan 8.310 nan 0.000 0.488 270 I N 2.693 123.297 120.570 0.058 0.000 2.466 270 I HA 0.463 4.634 4.170 0.002 0.000 0.289 270 I C -0.335 175.828 176.117 0.077 0.000 1.026 270 I CA -0.352 60.991 61.300 0.070 0.000 1.078 270 I CB 2.360 40.398 38.000 0.063 0.000 1.249 270 I HN 0.546 nan 8.210 nan 0.000 0.429 271 T N 2.728 117.329 114.554 0.078 0.000 2.804 271 T HA 0.712 5.063 4.350 0.002 0.000 0.290 271 T C -0.743 173.978 174.700 0.036 0.000 1.099 271 T CA -0.804 61.322 62.100 0.044 0.000 1.011 271 T CB 2.092 70.975 68.868 0.025 0.000 1.291 271 T HN 0.713 nan 8.240 nan 0.000 0.523 272 S N -0.669 115.024 115.700 -0.011 0.000 2.596 272 S HA 0.559 5.030 4.470 0.002 0.000 0.270 272 S C -0.820 173.750 174.600 -0.050 0.000 1.155 272 S CA -0.747 57.427 58.200 -0.043 0.000 0.827 272 S CB 1.752 64.925 63.200 -0.045 0.000 1.130 272 S HN 0.498 nan 8.310 nan 0.000 0.467 273 D N 0.580 120.956 120.400 -0.041 0.000 2.324 273 D HA 0.244 4.885 4.640 0.002 0.000 0.212 273 D C 1.647 177.989 176.300 0.071 0.000 0.984 273 D CA 1.335 55.344 54.000 0.014 0.000 0.885 273 D CB -0.640 40.191 40.800 0.051 0.000 0.996 273 D HN 1.231 nan 8.370 nan 0.000 0.505 274 G N 0.590 109.421 108.800 0.051 0.000 2.187 274 G HA2 -0.372 3.589 3.960 0.002 0.000 0.261 274 G HA3 -0.372 3.589 3.960 0.002 0.000 0.261 274 G C 0.557 175.518 174.900 0.102 0.000 1.000 274 G CA 0.898 46.029 45.100 0.051 0.000 0.718 274 G HN 0.370 nan 8.290 nan 0.000 0.519 275 F N 0.003 119.957 119.950 0.007 0.000 2.173 275 F HA 0.431 4.959 4.527 0.002 0.000 0.271 275 F C 1.465 177.326 175.800 0.102 0.000 1.153 275 F CA 1.498 59.519 58.000 0.036 0.000 1.095 275 F CB 0.060 39.082 39.000 0.037 0.000 1.055 275 F HN 0.277 nan 8.300 nan 0.000 0.519 276 H N -0.622 118.590 119.070 0.236 0.000 2.771 276 H HA 0.342 4.899 4.556 0.002 0.000 0.344 276 H C 0.197 175.597 175.328 0.120 0.000 1.260 276 H CA -0.610 55.478 56.048 0.067 0.000 1.276 276 H CB 1.773 31.678 29.762 0.238 0.000 1.881 276 H HN 0.298 nan 8.280 nan 0.000 0.615 277 M N 1.575 121.121 119.600 -0.090 0.000 2.576 277 M HA 0.271 4.752 4.480 0.002 0.000 0.322 277 M C -1.193 175.009 176.300 -0.163 0.000 1.184 277 M CA -0.040 55.203 55.300 -0.095 0.000 0.967 277 M CB 0.591 33.144 32.600 -0.078 0.000 1.372 277 M HN 0.210 nan 8.290 nan 0.000 0.509 278 V N -0.119 119.658 119.914 -0.229 0.000 5.538 278 V HA 0.471 4.593 4.120 0.002 0.000 0.108 278 V C 0.406 176.595 176.094 0.159 0.000 1.027 278 V CA 0.198 62.453 62.300 -0.074 0.000 1.178 278 V CB -0.051 31.628 31.823 -0.240 0.000 1.799 278 V HN 0.388 nan 8.190 nan 0.000 0.592 279 A N 3.941 126.897 122.820 0.227 0.000 2.309 279 A HA 0.693 5.014 4.320 0.002 0.000 0.290 279 A C -2.163 175.640 177.584 0.365 0.000 1.206 279 A CA -1.066 51.166 52.037 0.324 0.000 0.850 279 A CB -0.224 18.974 19.000 0.329 0.000 1.118 279 A HN 0.369 nan 8.150 nan 0.000 0.523 280 P HA 0.076 nan 4.420 nan 0.000 0.293 280 P C -0.496 176.479 177.300 -0.543 0.000 1.298 280 P CA -0.330 62.758 63.100 -0.021 0.000 0.757 280 P CB 0.362 32.065 31.700 0.005 0.000 1.262 281 D N 0.488 120.433 120.400 -0.759 0.000 2.363 281 D HA 0.027 4.669 4.640 0.002 0.000 0.263 281 D C -1.037 174.986 176.300 -0.461 0.000 1.258 281 D CA -1.557 51.867 54.000 -0.960 0.000 0.907 281 D CB 0.130 40.612 40.800 -0.529 0.000 1.107 281 D HN 0.143 nan 8.370 nan 0.000 0.495 282 P HA -0.161 nan 4.420 nan 0.000 0.227 282 P C 0.298 177.535 177.300 -0.105 0.000 1.145 282 P CA 0.820 63.826 63.100 -0.156 0.000 0.769 282 P CB 0.367 32.012 31.700 -0.092 0.000 0.769 283 N N -0.922 117.699 118.700 -0.132 0.000 2.250 283 N HA 0.045 4.786 4.740 0.002 0.000 0.190 283 N C 1.162 176.619 175.510 -0.089 0.000 1.116 283 N CA 0.787 53.787 53.050 -0.082 0.000 0.881 283 N CB 0.177 38.625 38.487 -0.065 0.000 1.006 283 N HN 0.095 nan 8.380 nan 0.000 0.491 284 G N 2.570 111.290 108.800 -0.133 0.000 2.356 284 G HA2 -0.322 3.640 3.960 0.002 0.000 0.296 284 G HA3 -0.322 3.640 3.960 0.002 0.000 0.296 284 G C 0.746 175.567 174.900 -0.132 0.000 1.022 284 G CA 1.065 46.074 45.100 -0.152 0.000 0.961 284 G HN 0.500 nan 8.290 nan 0.000 0.510 285 E N -0.536 119.599 120.200 -0.108 0.000 2.017 285 E HA -0.183 4.168 4.350 0.002 0.000 0.193 285 E C 2.551 179.113 176.600 -0.065 0.000 0.997 285 E CA 1.098 57.457 56.400 -0.068 0.000 0.804 285 E CB -0.084 29.583 29.700 -0.055 0.000 0.757 285 E HN 0.394 nan 8.360 nan 0.000 0.448 286 R N -0.026 120.413 120.500 -0.101 0.000 2.148 286 R HA 0.030 4.371 4.340 0.002 0.000 0.223 286 R C 2.018 178.237 176.300 -0.134 0.000 1.088 286 R CA 0.964 57.002 56.100 -0.104 0.000 0.985 286 R CB -0.760 29.468 30.300 -0.120 0.000 0.880 286 R HN 0.270 nan 8.270 nan 0.000 0.451 287 A N 0.384 123.037 122.820 -0.279 0.000 1.897 287 A HA 0.017 4.338 4.320 0.002 0.000 0.215 287 A C 2.327 179.673 177.584 -0.397 0.000 1.181 287 A CA 1.524 53.204 52.037 -0.595 0.000 0.620 287 A CB -0.850 17.601 19.000 -0.914 0.000 0.821 287 A HN 0.369 nan 8.150 nan 0.000 0.443 288 G N -1.804 106.874 108.800 -0.203 0.000 2.484 288 G HA2 -0.229 3.733 3.960 0.002 0.000 0.218 288 G HA3 -0.229 3.733 3.960 0.002 0.000 0.218 288 G C 1.529 176.412 174.900 -0.028 0.000 1.130 288 G CA 1.075 46.125 45.100 -0.084 0.000 0.784 288 G HN 0.704 nan 8.290 nan 0.000 0.543 289 H N 1.123 120.132 119.070 -0.101 0.000 2.428 289 H HA 0.164 4.721 4.556 0.002 0.000 0.296 289 H C 2.527 177.824 175.328 -0.051 0.000 1.062 289 H CA 1.150 57.159 56.048 -0.065 0.000 1.350 289 H CB -0.025 29.699 29.762 -0.062 0.000 1.403 289 H HN 0.288 nan 8.280 nan 0.000 0.533 290 A N 1.223 124.076 122.820 0.056 0.000 2.066 290 A HA -0.036 4.285 4.320 0.002 0.000 0.218 290 A C 2.322 179.893 177.584 -0.021 0.000 1.157 290 A CA 0.777 52.840 52.037 0.043 0.000 0.670 290 A CB -0.344 18.710 19.000 0.090 0.000 0.804 290 A HN 0.355 nan 8.150 nan 0.000 0.453 291 I N -0.206 120.351 120.570 -0.022 0.000 2.333 291 I HA -0.116 4.056 4.170 0.002 0.000 0.246 291 I C 2.323 178.387 176.117 -0.088 0.000 1.106 291 I CA 1.665 62.953 61.300 -0.019 0.000 1.411 291 I CB -2.057 35.954 38.000 0.020 0.000 1.082 291 I HN 0.190 nan 8.210 nan 0.000 0.420 292 T N 1.227 115.693 114.554 -0.147 0.000 2.788 292 T HA -0.126 4.225 4.350 0.002 0.000 0.268 292 T C 2.067 176.645 174.700 -0.204 0.000 1.044 292 T CA 1.112 63.101 62.100 -0.186 0.000 1.139 292 T CB -0.068 68.639 68.868 -0.268 0.000 0.867 292 T HN 0.185 nan 8.240 nan 0.000 0.454 293 R N 0.909 121.263 120.500 -0.244 0.000 2.093 293 R HA 0.265 4.606 4.340 0.002 0.000 0.224 293 R C 2.715 178.931 176.300 -0.140 0.000 1.101 293 R CA 1.069 57.062 56.100 -0.178 0.000 0.979 293 R CB -0.925 29.288 30.300 -0.144 0.000 0.877 293 R HN 0.430 nan 8.270 nan 0.000 0.441 294 A N 1.083 123.813 122.820 -0.148 0.000 1.930 294 A HA -0.073 4.248 4.320 0.002 0.000 0.217 294 A C 2.224 179.694 177.584 -0.191 0.000 1.175 294 A CA 1.010 52.928 52.037 -0.198 0.000 0.627 294 A CB -0.412 18.480 19.000 -0.181 0.000 0.815 294 A HN 0.175 nan 8.150 nan 0.000 0.443 295 I N -0.766 119.718 120.570 -0.143 0.000 2.315 295 I HA -0.260 3.911 4.170 0.002 0.000 0.248 295 I C 2.738 178.784 176.117 -0.118 0.000 1.117 295 I CA 1.197 62.422 61.300 -0.126 0.000 1.404 295 I CB -0.324 37.622 38.000 -0.089 0.000 1.071 295 I HN 0.433 nan 8.210 nan 0.000 0.419 296 Q N 0.435 120.169 119.800 -0.109 0.000 2.096 296 Q HA -0.055 4.286 4.340 0.002 0.000 0.197 296 Q C 2.377 178.336 176.000 -0.068 0.000 0.964 296 Q CA 1.044 56.795 55.803 -0.088 0.000 0.838 296 Q CB -0.008 28.672 28.738 -0.097 0.000 0.906 296 Q HN 0.484 nan 8.270 nan 0.000 0.444 297 L N 0.225 121.412 121.223 -0.061 0.000 2.353 297 L HA -0.133 4.209 4.340 0.002 0.000 0.220 297 L C 1.879 178.764 176.870 0.025 0.000 1.133 297 L CA 0.681 55.539 54.840 0.030 0.000 0.798 297 L CB -0.181 41.883 42.059 0.009 0.000 0.922 297 L HN 0.158 nan 8.230 nan 0.000 0.445 298 A N -0.803 121.962 122.820 -0.091 0.000 2.348 298 A HA 0.385 4.706 4.320 0.002 0.000 0.224 298 A C 1.534 179.062 177.584 -0.095 0.000 1.227 298 A CA 0.465 52.432 52.037 -0.117 0.000 0.885 298 A CB -0.122 18.743 19.000 -0.225 0.000 0.933 298 A HN 0.400 nan 8.150 nan 0.000 0.506 299 G N -0.306 108.461 108.800 -0.055 0.000 2.295 299 G HA2 -0.214 3.748 3.960 0.002 0.000 0.287 299 G HA3 -0.214 3.748 3.960 0.002 0.000 0.287 299 G C -0.055 174.807 174.900 -0.063 0.000 1.055 299 G CA 0.845 45.929 45.100 -0.026 0.000 0.922 299 G HN 0.492 nan 8.290 nan 0.000 0.503 300 L N -1.331 119.831 121.223 -0.102 0.000 2.211 300 L HA 0.979 5.320 4.340 0.002 0.000 0.259 300 L C 0.543 177.380 176.870 -0.055 0.000 1.031 300 L CA -0.893 53.877 54.840 -0.117 0.000 0.877 300 L CB 1.825 43.742 42.059 -0.236 0.000 1.457 300 L HN 0.393 nan 8.230 nan 0.000 0.466 301 A N -0.725 122.080 122.820 -0.025 0.000 2.413 301 A HA 0.687 5.008 4.320 0.002 0.000 0.307 301 A C -2.362 175.228 177.584 0.009 0.000 1.087 301 A CA -1.452 50.584 52.037 -0.002 0.000 0.750 301 A CB 1.295 20.307 19.000 0.019 0.000 1.296 301 A HN 0.491 nan 8.150 nan 0.000 0.423 302 P HA -0.153 nan 4.420 nan 0.000 0.218 302 P C 1.413 178.736 177.300 0.038 0.000 1.146 302 P CA 2.103 65.212 63.100 0.014 0.000 0.820 302 P CB 0.275 31.979 31.700 0.006 0.000 0.778 303 G N -1.210 107.618 108.800 0.046 0.000 2.712 303 G HA2 -0.127 3.834 3.960 0.002 0.000 0.212 303 G HA3 -0.127 3.834 3.960 0.002 0.000 0.212 303 G C 0.771 175.730 174.900 0.097 0.000 1.142 303 G CA 0.274 45.411 45.100 0.063 0.000 0.789 303 G HN 0.218 nan 8.290 nan 0.000 0.535 304 D N 0.117 120.591 120.400 0.124 0.000 2.323 304 D HA 0.056 4.697 4.640 0.002 0.000 0.209 304 D C 0.812 177.277 176.300 0.275 0.000 0.973 304 D CA 0.026 54.162 54.000 0.227 0.000 0.874 304 D CB 0.405 41.376 40.800 0.284 0.000 0.930 304 D HN 0.133 nan 8.370 nan 0.000 0.521 305 I N 1.538 122.218 120.570 0.184 0.000 2.436 305 I HA 0.027 4.199 4.170 0.002 0.000 0.289 305 I C 0.386 176.606 176.117 0.172 0.000 1.083 305 I CA 0.433 61.843 61.300 0.183 0.000 1.372 305 I CB 0.984 39.049 38.000 0.109 0.000 1.408 305 I HN -0.105 nan 8.210 nan 0.000 0.516 306 D N 3.273 123.801 120.400 0.213 0.000 2.379 306 D HA 0.043 4.684 4.640 0.002 0.000 0.218 306 D C 0.624 177.052 176.300 0.212 0.000 1.006 306 D CA 0.756 54.896 54.000 0.234 0.000 0.893 306 D CB 0.445 41.453 40.800 0.346 0.000 1.019 306 D HN 0.564 nan 8.370 nan 0.000 0.503 307 H N -0.520 118.568 119.070 0.030 0.000 2.797 307 H HA 0.615 5.172 4.556 0.002 0.000 0.372 307 H C -1.629 173.714 175.328 0.025 0.000 1.168 307 H CA -0.904 55.111 56.048 -0.055 0.000 1.163 307 H CB 2.023 31.658 29.762 -0.212 0.000 1.778 307 H HN -0.283 nan 8.280 nan 0.000 0.551 308 V N 4.158 123.782 119.914 -0.484 0.000 2.614 308 V HA 0.005 4.126 4.120 0.002 0.000 0.281 308 V C -0.027 175.796 176.094 -0.451 0.000 1.031 308 V CA -0.974 61.114 62.300 -0.353 0.000 0.899 308 V CB 1.183 32.950 31.823 -0.094 0.000 1.037 308 V HN 0.739 nan 8.190 nan 0.000 0.456 309 N N 4.130 122.551 118.700 -0.465 0.000 2.819 309 N HA 0.179 4.920 4.740 0.002 0.000 0.284 309 N C 0.544 175.987 175.510 -0.112 0.000 1.196 309 N CA 0.266 53.199 53.050 -0.196 0.000 1.114 309 N CB 0.957 39.407 38.487 -0.061 0.000 1.437 309 N HN 0.852 nan 8.380 nan 0.000 0.518 310 A N 1.635 124.422 122.820 -0.055 0.000 2.583 310 A HA -0.143 4.179 4.320 0.002 0.000 0.231 310 A C 1.184 178.709 177.584 -0.098 0.000 1.065 310 A CA 0.276 52.309 52.037 -0.007 0.000 0.760 310 A CB 0.060 19.182 19.000 0.203 0.000 1.001 310 A HN 0.839 nan 8.150 nan 0.000 0.509 311 H N 1.577 120.495 119.070 -0.254 0.000 2.535 311 H HA 0.353 4.910 4.556 0.002 0.000 0.273 311 H C 1.234 176.386 175.328 -0.295 0.000 0.983 311 H CA 0.852 56.696 56.048 -0.340 0.000 1.238 311 H CB -0.229 29.230 29.762 -0.504 0.000 1.412 311 H HN 0.867 nan 8.280 nan 0.000 0.562 312 A N 0.838 123.515 122.820 -0.238 0.000 2.581 312 A HA -0.060 4.261 4.320 0.002 0.000 0.257 312 A C 1.778 179.086 177.584 -0.461 0.000 1.022 312 A CA 0.908 52.736 52.037 -0.349 0.000 0.812 312 A CB -0.407 18.227 19.000 -0.609 0.000 0.918 312 A HN 0.747 nan 8.150 nan 0.000 0.516 313 T N 0.532 114.851 114.554 -0.392 0.000 2.851 313 T HA 0.361 4.712 4.350 0.002 0.000 0.262 313 T C 1.427 176.052 174.700 -0.125 0.000 1.043 313 T CA 1.144 63.065 62.100 -0.298 0.000 1.140 313 T CB -0.070 68.690 68.868 -0.179 0.000 0.872 313 T HN 2.320 nan 8.240 nan 0.000 0.446 314 G N 1.277 110.014 108.800 -0.106 0.000 2.173 314 G HA2 -0.053 3.908 3.960 0.002 0.000 0.142 314 G HA3 -0.053 3.908 3.960 0.002 0.000 0.142 314 G C 0.175 175.086 174.900 0.019 0.000 1.019 314 G CA -0.002 45.053 45.100 -0.075 0.000 0.699 314 G HN 1.025 nan 8.290 nan 0.000 0.495 315 T N -2.053 112.553 114.554 0.087 0.000 2.874 315 T HA 0.582 4.934 4.350 0.002 0.000 0.281 315 T C 1.182 175.931 174.700 0.081 0.000 0.994 315 T CA 0.570 62.745 62.100 0.125 0.000 1.015 315 T CB 2.179 71.185 68.868 0.230 0.000 1.028 315 T HN 0.125 nan 8.240 nan 0.000 0.523 316 Q N 0.584 120.431 119.800 0.078 0.000 1.990 316 Q HA -0.067 4.274 4.340 0.002 0.000 0.200 316 Q C 2.123 178.173 176.000 0.083 0.000 0.980 316 Q CA 2.375 58.219 55.803 0.068 0.000 0.832 316 Q CB -0.988 27.784 28.738 0.057 0.000 0.897 316 Q HN 0.749 nan 8.270 nan 0.000 0.427 317 V N -1.955 118.017 119.914 0.098 0.000 3.041 317 V HA 0.176 4.297 4.120 0.002 0.000 0.260 317 V C 1.879 178.040 176.094 0.111 0.000 1.105 317 V CA 1.537 63.896 62.300 0.097 0.000 1.125 317 V CB -1.104 30.783 31.823 0.106 0.000 0.730 317 V HN 0.342 nan 8.190 nan 0.000 0.479 318 G N 1.026 109.911 108.800 0.141 0.000 2.424 318 G HA2 -0.192 3.769 3.960 0.002 0.000 0.214 318 G HA3 -0.192 3.769 3.960 0.002 0.000 0.214 318 G C 1.027 176.013 174.900 0.143 0.000 1.202 318 G CA 1.082 46.280 45.100 0.163 0.000 0.793 318 G HN 0.562 nan 8.290 nan 0.000 0.534 319 D N 0.028 120.493 120.400 0.108 0.000 2.117 319 D HA -0.087 4.554 4.640 0.002 0.000 0.197 319 D C 2.262 178.687 176.300 0.209 0.000 0.987 319 D CA 0.554 54.623 54.000 0.116 0.000 0.829 319 D CB -0.122 40.669 40.800 -0.016 0.000 0.961 319 D HN 0.191 nan 8.370 nan 0.000 0.460 320 L N 0.917 122.231 121.223 0.153 0.000 2.012 320 L HA -0.143 4.198 4.340 0.002 0.000 0.210 320 L C 2.032 178.961 176.870 0.097 0.000 1.073 320 L CA 1.848 56.762 54.840 0.124 0.000 0.748 320 L CB -0.782 41.330 42.059 0.087 0.000 0.891 320 L HN 0.046 nan 8.230 nan 0.000 0.431 321 A N -1.288 121.580 122.820 0.080 0.000 2.015 321 A HA -0.206 4.115 4.320 0.002 0.000 0.219 321 A C 2.290 179.909 177.584 0.059 0.000 1.163 321 A CA 1.512 53.570 52.037 0.035 0.000 0.646 321 A CB -0.591 18.408 19.000 -0.001 0.000 0.806 321 A HN 0.662 nan 8.150 nan 0.000 0.448 322 E N -0.401 119.888 120.200 0.148 0.000 2.051 322 E HA -0.028 4.323 4.350 0.002 0.000 0.189 322 E C 2.054 178.765 176.600 0.185 0.000 0.979 322 E CA 0.832 57.366 56.400 0.223 0.000 0.803 322 E CB -0.467 29.446 29.700 0.356 0.000 0.761 322 E HN 0.422 nan 8.360 nan 0.000 0.451 323 G N 0.956 109.868 108.800 0.186 0.000 2.450 323 G HA2 -0.319 3.643 3.960 0.002 0.000 0.220 323 G HA3 -0.319 3.643 3.960 0.002 0.000 0.220 323 G C 1.746 176.678 174.900 0.053 0.000 1.130 323 G CA 0.861 46.023 45.100 0.102 0.000 0.760 323 G HN 0.194 nan 8.290 nan 0.000 0.557 324 R N 0.391 120.921 120.500 0.050 0.000 2.148 324 R HA 0.221 4.562 4.340 0.002 0.000 0.223 324 R C 2.634 178.936 176.300 0.004 0.000 1.088 324 R CA 1.294 57.405 56.100 0.018 0.000 0.985 324 R CB -0.248 30.057 30.300 0.008 0.000 0.880 324 R HN 0.254 nan 8.270 nan 0.000 0.451 325 A N 0.348 123.171 122.820 0.005 0.000 2.072 325 A HA 0.039 4.361 4.320 0.002 0.000 0.216 325 A C 1.786 179.377 177.584 0.011 0.000 1.156 325 A CA 0.518 52.540 52.037 -0.025 0.000 0.701 325 A CB -0.128 18.810 19.000 -0.103 0.000 0.816 325 A HN 0.217 nan 8.150 nan 0.000 0.458 326 I N 0.798 121.395 120.570 0.046 0.000 2.233 326 I HA -0.198 3.974 4.170 0.002 0.000 0.243 326 I C 1.743 177.873 176.117 0.020 0.000 1.093 326 I CA 1.417 62.746 61.300 0.048 0.000 1.380 326 I CB -1.847 36.182 38.000 0.049 0.000 1.067 326 I HN 0.425 nan 8.210 nan 0.000 0.413 327 N N 1.119 119.826 118.700 0.012 0.000 2.309 327 N HA -0.147 4.594 4.740 0.002 0.000 0.182 327 N C 1.426 176.937 175.510 0.002 0.000 1.018 327 N CA 0.745 53.798 53.050 0.005 0.000 0.876 327 N CB -0.091 38.397 38.487 0.002 0.000 0.972 327 N HN 0.344 nan 8.380 nan 0.000 0.434 328 N N 0.979 119.679 118.700 -0.001 0.000 2.188 328 N HA -0.040 4.701 4.740 0.002 0.000 0.184 328 N C 1.589 177.095 175.510 -0.007 0.000 1.018 328 N CA 0.987 54.035 53.050 -0.005 0.000 0.858 328 N CB -0.271 38.210 38.487 -0.010 0.000 0.989 328 N HN 0.227 nan 8.380 nan 0.000 0.426 329 A N 0.575 123.390 122.820 -0.008 0.000 1.855 329 A HA 0.095 4.416 4.320 0.002 0.000 0.213 329 A C 2.229 179.807 177.584 -0.010 0.000 1.195 329 A CA 0.683 52.709 52.037 -0.018 0.000 0.610 329 A CB -0.570 18.420 19.000 -0.016 0.000 0.837 329 A HN 0.128 nan 8.150 nan 0.000 0.444 330 L N -1.838 119.385 121.223 0.001 0.000 2.022 330 L HA 0.239 4.580 4.340 0.002 0.000 0.204 330 L C 1.962 178.836 176.870 0.007 0.000 1.076 330 L CA 1.102 55.947 54.840 0.007 0.000 0.749 330 L CB -0.948 41.120 42.059 0.016 0.000 0.903 330 L HN 0.679 nan 8.230 nan 0.000 0.439 331 G N -0.959 107.845 108.800 0.006 0.000 2.846 331 G HA2 -0.242 3.719 3.960 0.002 0.000 0.225 331 G HA3 -0.242 3.719 3.960 0.002 0.000 0.225 331 G C 0.740 175.644 174.900 0.007 0.000 1.285 331 G CA -0.043 45.061 45.100 0.006 0.000 1.055 331 G HN 0.345 nan 8.290 nan 0.000 0.579 332 G N 1.264 110.069 108.800 0.009 0.000 2.448 332 G HA2 0.099 4.061 3.960 0.002 0.000 0.218 332 G HA3 0.099 4.061 3.960 0.002 0.000 0.218 332 G C 0.745 175.653 174.900 0.013 0.000 1.135 332 G CA 1.153 46.258 45.100 0.010 0.000 0.784 332 G HN 0.760 nan 8.290 nan 0.000 0.543 333 N N 0.765 119.476 118.700 0.018 0.000 2.344 333 N HA 0.142 4.883 4.740 0.002 0.000 0.236 333 N C -0.079 175.444 175.510 0.023 0.000 1.279 333 N CA 0.585 53.650 53.050 0.025 0.000 0.882 333 N CB 0.442 38.949 38.487 0.032 0.000 1.110 333 N HN 0.149 nan 8.380 nan 0.000 0.436 334 R N 1.300 121.818 120.500 0.030 0.000 2.631 334 R HA 0.307 4.648 4.340 0.002 0.000 0.289 334 R C -2.390 173.937 176.300 0.046 0.000 1.303 334 R CA -1.056 55.060 56.100 0.026 0.000 0.989 334 R CB 2.002 32.311 30.300 0.015 0.000 1.208 334 R HN 0.524 nan 8.270 nan 0.000 0.461 335 P HA 0.341 nan 4.420 nan 0.000 0.283 335 P C -0.728 176.622 177.300 0.084 0.000 1.271 335 P CA -0.665 62.486 63.100 0.086 0.000 0.841 335 P CB 1.256 33.008 31.700 0.087 0.000 1.122 336 A N 1.759 124.655 122.820 0.126 0.000 2.457 336 A HA 0.333 4.654 4.320 0.002 0.000 0.298 336 A C 0.369 178.080 177.584 0.213 0.000 1.288 336 A CA -0.323 51.793 52.037 0.132 0.000 0.956 336 A CB -0.898 18.161 19.000 0.099 0.000 1.135 336 A HN 0.347 nan 8.150 nan 0.000 0.535 337 V N 3.341 123.331 119.914 0.127 0.000 2.649 337 V HA 0.304 4.425 4.120 0.002 0.000 0.292 337 V C -0.259 176.006 176.094 0.284 0.000 1.055 337 V CA -0.013 62.361 62.300 0.123 0.000 1.023 337 V CB 0.987 32.789 31.823 -0.036 0.000 0.992 337 V HN 0.747 nan 8.190 nan 0.000 0.480 338 Y N 3.043 123.435 120.300 0.154 0.000 2.457 338 Y HA 0.696 5.247 4.550 0.002 0.000 0.343 338 Y C -0.266 175.740 175.900 0.177 0.000 0.994 338 Y CA -1.456 56.765 58.100 0.201 0.000 1.031 338 Y CB 1.829 40.462 38.460 0.288 0.000 1.246 338 Y HN 0.637 nan 8.280 nan 0.000 0.449 339 A N 8.690 131.302 122.820 -0.347 0.000 2.394 339 A HA 0.481 4.802 4.320 0.002 0.000 0.333 339 A C -2.311 174.762 177.584 -0.852 0.000 1.397 339 A CA -1.552 50.214 52.037 -0.452 0.000 0.884 339 A CB 0.372 19.208 19.000 -0.273 0.000 1.147 339 A HN 0.619 nan 8.150 nan 0.000 0.505 340 P HA -0.158 nan 4.420 nan 0.000 0.217 340 P C 0.996 178.120 177.300 -0.293 0.000 1.151 340 P CA 1.104 63.834 63.100 -0.617 0.000 0.828 340 P CB 0.203 31.718 31.700 -0.307 0.000 0.788 341 K N 0.765 120.991 120.400 -0.290 0.000 2.286 341 K HA -0.123 4.198 4.320 0.002 0.000 0.203 341 K C 2.355 178.872 176.600 -0.140 0.000 1.045 341 K CA 1.847 58.007 56.287 -0.212 0.000 0.935 341 K CB -0.552 31.761 32.500 -0.311 0.000 0.737 341 K HN 0.268 nan 8.250 nan 0.000 0.460 342 S N 0.349 115.950 115.700 -0.166 0.000 2.419 342 S HA -0.107 4.364 4.470 0.002 0.000 0.233 342 S C 1.991 176.571 174.600 -0.034 0.000 1.016 342 S CA 1.021 59.164 58.200 -0.095 0.000 0.974 342 S CB -0.001 63.142 63.200 -0.095 0.000 0.786 342 S HN 0.325 nan 8.310 nan 0.000 0.492 343 A N 0.288 123.096 122.820 -0.020 0.000 2.108 343 A HA 0.572 4.893 4.320 0.002 0.000 0.206 343 A C 1.950 179.553 177.584 0.031 0.000 1.212 343 A CA 0.047 52.099 52.037 0.024 0.000 0.843 343 A CB -0.092 18.948 19.000 0.065 0.000 0.902 343 A HN 0.457 nan 8.150 nan 0.000 0.477 344 L N -1.410 119.824 121.223 0.020 0.000 2.471 344 L HA 0.525 4.866 4.340 0.002 0.000 0.186 344 L C 1.191 178.091 176.870 0.051 0.000 1.191 344 L CA 0.732 55.596 54.840 0.041 0.000 0.835 344 L CB -0.183 41.900 42.059 0.039 0.000 1.092 344 L HN 0.512 nan 8.230 nan 0.000 0.495 345 G N -1.695 107.123 108.800 0.031 0.000 2.326 345 G HA2 -0.042 3.920 3.960 0.002 0.000 0.413 345 G HA3 -0.042 3.920 3.960 0.002 0.000 0.413 345 G C -1.566 173.396 174.900 0.103 0.000 1.444 345 G CA -0.924 44.229 45.100 0.090 0.000 1.002 345 G HN 0.149 nan 8.290 nan 0.000 0.649 346 H N 1.297 120.422 119.070 0.092 0.000 3.015 346 H HA 0.447 5.004 4.556 0.002 0.000 0.268 346 H C 1.809 177.180 175.328 0.072 0.000 1.113 346 H CA 0.667 56.742 56.048 0.045 0.000 1.479 346 H CB 0.931 30.732 29.762 0.065 0.000 1.493 346 H HN 0.394 nan 8.280 nan 0.000 0.486 347 S N 3.986 119.822 115.700 0.226 0.000 2.406 347 S HA -0.114 4.357 4.470 0.002 0.000 0.228 347 S C 1.749 176.386 174.600 0.062 0.000 1.020 347 S CA 0.962 59.232 58.200 0.116 0.000 0.965 347 S CB -0.119 63.127 63.200 0.076 0.000 0.798 347 S HN 0.750 nan 8.310 nan 0.000 0.488 348 V N -1.220 118.763 119.914 0.115 0.000 0.658 348 V HA -0.332 3.790 4.120 0.002 0.000 0.092 348 V C 1.715 177.812 176.094 0.005 0.000 1.231 348 V CA 1.633 63.927 62.300 -0.009 0.000 3.202 348 V CB -2.309 29.410 31.823 -0.174 0.000 0.425 348 V HN 0.406 nan 8.190 nan 0.000 0.415 349 G N 0.466 109.256 108.800 -0.017 0.000 2.422 349 G HA2 0.271 4.232 3.960 0.002 0.000 0.218 349 G HA3 0.271 4.232 3.960 0.002 0.000 0.218 349 G C 1.496 176.392 174.900 -0.006 0.000 1.140 349 G CA 2.258 47.349 45.100 -0.015 0.000 0.775 349 G HN 1.950 nan 8.290 nan 0.000 0.545 350 A N -0.481 122.343 122.820 0.007 0.000 2.140 350 A HA 0.423 4.744 4.320 0.002 0.000 0.209 350 A C 2.285 179.878 177.584 0.014 0.000 1.181 350 A CA 0.917 52.959 52.037 0.008 0.000 0.824 350 A CB -0.240 18.768 19.000 0.014 0.000 0.879 350 A HN 0.289 nan 8.150 nan 0.000 0.480 351 V N 0.497 120.428 119.914 0.028 0.000 2.380 351 V HA -0.210 3.911 4.120 0.002 0.000 0.251 351 V C 2.342 178.429 176.094 -0.013 0.000 1.063 351 V CA 2.589 64.895 62.300 0.009 0.000 1.055 351 V CB -0.758 31.069 31.823 0.007 0.000 0.657 351 V HN 0.523 nan 8.190 nan 0.000 0.455 352 G N -1.252 107.546 108.800 -0.003 0.000 2.408 352 G HA2 -0.148 3.813 3.960 0.002 0.000 0.217 352 G HA3 -0.148 3.813 3.960 0.002 0.000 0.217 352 G C 1.714 176.612 174.900 -0.003 0.000 1.150 352 G CA 0.898 45.990 45.100 -0.013 0.000 0.776 352 G HN 0.739 nan 8.290 nan 0.000 0.542 353 A N 0.049 122.870 122.820 0.001 0.000 1.929 353 A HA 0.194 4.515 4.320 0.002 0.000 0.216 353 A C 2.550 180.129 177.584 -0.008 0.000 1.176 353 A CA 1.501 53.541 52.037 0.005 0.000 0.628 353 A CB -0.403 18.598 19.000 0.002 0.000 0.816 353 A HN 0.216 nan 8.150 nan 0.000 0.444 354 V N 0.493 120.402 119.914 -0.007 0.000 2.358 354 V HA -0.228 3.893 4.120 0.002 0.000 0.246 354 V C 2.271 178.356 176.094 -0.015 0.000 1.047 354 V CA 2.139 64.436 62.300 -0.005 0.000 1.035 354 V CB -0.772 31.057 31.823 0.011 0.000 0.658 354 V HN 0.640 nan 8.190 nan 0.000 0.452 355 E N -0.140 120.046 120.200 -0.023 0.000 2.347 355 E HA -0.107 4.244 4.350 0.002 0.000 0.196 355 E C 2.276 178.845 176.600 -0.053 0.000 1.008 355 E CA 1.089 57.474 56.400 -0.025 0.000 0.852 355 E CB -0.108 29.562 29.700 -0.050 0.000 0.783 355 E HN 0.478 nan 8.360 nan 0.000 0.505 356 S N 0.759 116.421 115.700 -0.064 0.000 2.436 356 S HA 0.029 4.500 4.470 0.002 0.000 0.228 356 S C 1.896 176.285 174.600 -0.353 0.000 1.014 356 S CA 0.414 58.526 58.200 -0.146 0.000 0.950 356 S CB 0.063 63.296 63.200 0.055 0.000 0.784 356 S HN 0.215 nan 8.310 nan 0.000 0.504 357 I N 1.006 121.454 120.570 -0.203 0.000 2.876 357 I HA -0.014 4.157 4.170 0.002 0.000 0.264 357 I C 1.525 177.484 176.117 -0.263 0.000 1.204 357 I CA 0.761 61.925 61.300 -0.228 0.000 1.485 357 I CB -0.117 37.805 38.000 -0.130 0.000 1.103 357 I HN 0.233 nan 8.210 nan 0.000 0.446 358 L N -0.160 120.967 121.223 -0.161 0.000 2.270 358 L HA -0.052 4.289 4.340 0.002 0.000 0.210 358 L C 2.343 179.158 176.870 -0.093 0.000 1.104 358 L CA 0.922 55.718 54.840 -0.075 0.000 0.804 358 L CB -0.648 41.520 42.059 0.181 0.000 0.937 358 L HN 0.188 nan 8.230 nan 0.000 0.450 359 T N -0.668 113.788 114.554 -0.164 0.000 2.951 359 T HA -0.072 4.279 4.350 0.002 0.000 0.268 359 T C 1.998 176.545 174.700 -0.255 0.000 1.073 359 T CA 0.792 62.816 62.100 -0.127 0.000 1.134 359 T CB 0.042 68.765 68.868 -0.241 0.000 0.884 359 T HN 0.051 nan 8.240 nan 0.000 0.479 360 V N 1.433 121.080 119.914 -0.445 0.000 2.346 360 V HA -0.013 4.108 4.120 0.002 0.000 0.244 360 V C 2.423 178.323 176.094 -0.324 0.000 1.037 360 V CA 1.230 63.309 62.300 -0.368 0.000 1.029 360 V CB -0.645 30.943 31.823 -0.393 0.000 0.663 360 V HN 0.397 nan 8.190 nan 0.000 0.454 361 L N 0.423 121.329 121.223 -0.530 0.000 2.131 361 L HA -0.131 4.210 4.340 0.002 0.000 0.210 361 L C 2.657 179.200 176.870 -0.544 0.000 1.092 361 L CA 1.424 55.772 54.840 -0.820 0.000 0.759 361 L CB -0.725 40.281 42.059 -1.756 0.000 0.903 361 L HN 0.351 nan 8.230 nan 0.000 0.435 362 A N -0.202 122.436 122.820 -0.303 0.000 1.969 362 A HA -0.108 4.214 4.320 0.002 0.000 0.218 362 A C 2.254 179.867 177.584 0.049 0.000 1.169 362 A CA 1.216 53.279 52.037 0.044 0.000 0.635 362 A CB -0.457 18.513 19.000 -0.051 0.000 0.810 362 A HN 0.357 nan 8.150 nan 0.000 0.445 363 L N -1.423 119.799 121.223 -0.001 0.000 2.095 363 L HA -0.050 4.291 4.340 0.002 0.000 0.204 363 L C 2.769 179.670 176.870 0.052 0.000 1.080 363 L CA 1.251 56.131 54.840 0.066 0.000 0.759 363 L CB -0.398 41.702 42.059 0.068 0.000 0.914 363 L HN 0.426 nan 8.230 nan 0.000 0.439 364 R N -0.063 120.428 120.500 -0.015 0.000 2.148 364 R HA -0.134 4.207 4.340 0.002 0.000 0.223 364 R C 0.878 177.194 176.300 0.027 0.000 1.088 364 R CA 1.407 57.501 56.100 -0.010 0.000 0.985 364 R CB 0.170 30.421 30.300 -0.081 0.000 0.880 364 R HN 0.315 nan 8.270 nan 0.000 0.451 365 D N -0.601 119.839 120.400 0.068 0.000 2.454 365 D HA 0.024 4.666 4.640 0.002 0.000 0.214 365 D C 0.008 176.399 176.300 0.152 0.000 1.088 365 D CA 0.126 54.210 54.000 0.140 0.000 0.855 365 D CB 0.603 41.571 40.800 0.281 0.000 1.025 365 D HN 0.020 nan 8.370 nan 0.000 0.502 366 Q N -0.438 119.475 119.800 0.188 0.000 2.494 366 Q HA -0.135 4.206 4.340 0.002 0.000 0.266 366 Q C -0.749 175.425 176.000 0.290 0.000 1.053 366 Q CA 0.477 56.423 55.803 0.238 0.000 1.029 366 Q CB -2.088 26.674 28.738 0.040 0.000 1.423 366 Q HN 0.182 nan 8.270 nan 0.000 0.516 367 V N 0.488 120.574 119.914 0.287 0.000 2.876 367 V HA 0.677 4.799 4.120 0.002 0.000 0.312 367 V C 0.161 176.290 176.094 0.058 0.000 1.085 367 V CA -0.738 61.666 62.300 0.173 0.000 0.945 367 V CB 2.776 34.643 31.823 0.073 0.000 1.017 367 V HN 0.209 nan 8.190 nan 0.000 0.428 368 I N 5.099 125.586 120.570 -0.137 0.000 2.499 368 I HA 0.441 4.612 4.170 0.002 0.000 0.288 368 I C -2.516 173.306 176.117 -0.490 0.000 1.048 368 I CA -1.926 59.150 61.300 -0.373 0.000 1.062 368 I CB 2.909 40.600 38.000 -0.515 0.000 1.238 368 I HN 0.433 nan 8.210 nan 0.000 0.426 369 P HA 0.263 nan 4.420 nan 0.000 0.274 369 P C -2.765 174.182 177.300 -0.588 0.000 1.246 369 P CA -1.573 61.143 63.100 -0.641 0.000 0.795 369 P CB 0.271 31.604 31.700 -0.611 0.000 1.006 370 P HA 0.150 nan 4.420 nan 0.000 0.287 370 P C -0.509 176.950 177.300 0.265 0.000 1.270 370 P CA -0.268 62.845 63.100 0.022 0.000 0.844 370 P CB 0.480 32.181 31.700 0.002 0.000 1.068 371 T N 2.868 117.610 114.554 0.313 0.000 2.853 371 T HA 0.058 4.409 4.350 0.002 0.000 0.298 371 T C 1.490 176.269 174.700 0.132 0.000 0.978 371 T CA 0.059 62.305 62.100 0.243 0.000 1.152 371 T CB -0.160 68.836 68.868 0.214 0.000 0.914 371 T HN 0.213 nan 8.240 nan 0.000 0.539 372 L N 3.150 124.428 121.223 0.092 0.000 2.551 372 L HA 0.117 4.458 4.340 0.002 0.000 0.228 372 L C 1.415 178.307 176.870 0.037 0.000 1.153 372 L CA 1.249 56.123 54.840 0.055 0.000 0.851 372 L CB -0.315 41.769 42.059 0.043 0.000 0.959 372 L HN 0.591 nan 8.230 nan 0.000 0.451 373 N N -0.550 118.172 118.700 0.037 0.000 2.545 373 N HA 0.169 4.911 4.740 0.002 0.000 0.283 373 N C -0.921 174.612 175.510 0.039 0.000 1.596 373 N CA -0.178 52.888 53.050 0.026 0.000 0.862 373 N CB 1.370 39.862 38.487 0.008 0.000 1.422 373 N HN 0.002 nan 8.380 nan 0.000 0.489 374 L N 1.642 122.901 121.223 0.059 0.000 2.287 374 L HA 0.417 4.758 4.340 0.002 0.000 0.287 374 L C 0.842 177.747 176.870 0.057 0.000 1.022 374 L CA -0.199 54.686 54.840 0.075 0.000 0.814 374 L CB 1.389 43.517 42.059 0.115 0.000 1.217 374 L HN -0.025 nan 8.230 nan 0.000 0.420 375 V N 1.292 121.236 119.914 0.050 0.000 3.137 375 V HA 0.519 4.640 4.120 0.002 0.000 0.236 375 V C 0.281 176.398 176.094 0.039 0.000 1.260 375 V CA 0.033 62.356 62.300 0.038 0.000 1.244 375 V CB -0.066 31.774 31.823 0.029 0.000 1.016 375 V HN 0.761 nan 8.190 nan 0.000 0.477 376 N N 1.169 119.897 118.700 0.046 0.000 2.685 376 N HA 0.475 5.216 4.740 0.002 0.000 0.252 376 N C -0.993 174.553 175.510 0.059 0.000 1.261 376 N CA -0.263 52.814 53.050 0.045 0.000 0.768 376 N CB 1.652 40.160 38.487 0.035 0.000 1.304 376 N HN 0.545 nan 8.380 nan 0.000 0.536 377 L N 1.106 122.372 121.223 0.072 0.000 2.578 377 L HA 0.074 4.415 4.340 0.002 0.000 0.279 377 L C 0.271 177.190 176.870 0.082 0.000 1.227 377 L CA 0.040 54.939 54.840 0.099 0.000 0.900 377 L CB 0.423 42.534 42.059 0.086 0.000 1.144 377 L HN 0.493 nan 8.230 nan 0.000 0.496 378 D N 7.477 127.939 120.400 0.103 0.000 2.570 378 D HA -0.052 4.589 4.640 0.002 0.000 0.243 378 D C -1.524 174.814 176.300 0.062 0.000 1.171 378 D CA -1.365 52.684 54.000 0.082 0.000 0.879 378 D CB 0.951 41.812 40.800 0.101 0.000 1.143 378 D HN 0.397 nan 8.370 nan 0.000 0.511 379 P HA -0.127 nan 4.420 nan 0.000 0.236 379 P C 0.627 177.945 177.300 0.030 0.000 1.172 379 P CA 0.554 63.673 63.100 0.032 0.000 0.759 379 P CB 0.375 32.091 31.700 0.027 0.000 0.843 380 E N -0.507 119.717 120.200 0.041 0.000 2.489 380 E HA 0.087 4.438 4.350 0.002 0.000 0.193 380 E C 0.269 176.894 176.600 0.040 0.000 1.057 380 E CA 0.172 56.596 56.400 0.039 0.000 0.866 380 E CB -0.071 29.657 29.700 0.046 0.000 0.916 380 E HN 0.077 nan 8.360 nan 0.000 0.500 381 I N 0.895 121.488 120.570 0.038 0.000 2.498 381 I HA 0.237 4.408 4.170 0.002 0.000 0.290 381 I C -0.801 175.305 176.117 -0.018 0.000 1.032 381 I CA -0.954 60.358 61.300 0.020 0.000 1.073 381 I CB 1.764 39.791 38.000 0.046 0.000 1.251 381 I HN -0.153 nan 8.210 nan 0.000 0.426 382 D N 7.683 128.063 120.400 -0.033 0.000 2.479 382 D HA 0.617 5.258 4.640 0.002 0.000 0.247 382 D C -1.091 175.166 176.300 -0.072 0.000 1.119 382 D CA 0.014 53.990 54.000 -0.041 0.000 0.922 382 D CB 0.252 41.041 40.800 -0.019 0.000 1.014 382 D HN 0.358 nan 8.370 nan 0.000 0.510 383 L N 1.386 122.538 121.223 -0.118 0.000 2.465 383 L HA 0.321 4.662 4.340 0.002 0.000 0.257 383 L C -0.650 176.139 176.870 -0.134 0.000 0.988 383 L CA -1.111 53.636 54.840 -0.155 0.000 0.827 383 L CB 2.414 44.294 42.059 -0.298 0.000 1.397 383 L HN -0.008 nan 8.230 nan 0.000 0.410 384 D N 1.892 122.241 120.400 -0.084 0.000 2.422 384 D HA 0.373 5.015 4.640 0.002 0.000 0.227 384 D C -0.827 175.454 176.300 -0.033 0.000 1.190 384 D CA -0.029 53.949 54.000 -0.037 0.000 0.905 384 D CB 0.767 41.570 40.800 0.005 0.000 1.034 384 D HN 0.118 nan 8.370 nan 0.000 0.507 385 V N 3.389 123.280 119.914 -0.038 0.000 2.612 385 V HA 0.359 4.480 4.120 0.002 0.000 0.301 385 V C 0.438 176.580 176.094 0.080 0.000 1.046 385 V CA -1.067 61.247 62.300 0.025 0.000 0.946 385 V CB 1.838 33.677 31.823 0.026 0.000 1.003 385 V HN 0.232 nan 8.190 nan 0.000 0.459 386 V N 3.253 123.244 119.914 0.128 0.000 2.461 386 V HA 0.573 4.694 4.120 0.002 0.000 0.275 386 V C 0.786 176.949 176.094 0.115 0.000 1.047 386 V CA 0.718 63.074 62.300 0.093 0.000 0.955 386 V CB 0.497 32.348 31.823 0.047 0.000 0.988 386 V HN 1.113 nan 8.190 nan 0.000 0.471 387 A N 4.022 126.886 122.820 0.074 0.000 1.971 387 A HA 0.486 4.807 4.320 0.002 0.000 0.200 387 A C 1.853 179.462 177.584 0.042 0.000 1.658 387 A CA 0.851 52.932 52.037 0.073 0.000 0.962 387 A CB -0.652 18.389 19.000 0.068 0.000 1.053 387 A HN 0.803 nan 8.150 nan 0.000 0.533 388 G N -0.065 108.749 108.800 0.024 0.000 2.662 388 G HA2 0.272 4.234 3.960 0.002 0.000 0.215 388 G HA3 0.272 4.234 3.960 0.002 0.000 0.215 388 G C 0.317 175.212 174.900 -0.009 0.000 1.310 388 G CA 0.547 45.652 45.100 0.008 0.000 0.849 388 G HN 0.368 nan 8.290 nan 0.000 0.568 389 E N 0.650 120.839 120.200 -0.019 0.000 2.221 389 E HA 0.427 4.778 4.350 0.002 0.000 0.268 389 E C -2.388 174.177 176.600 -0.060 0.000 0.933 389 E CA -2.217 54.159 56.400 -0.040 0.000 0.809 389 E CB 1.391 31.071 29.700 -0.034 0.000 1.190 389 E HN -0.022 nan 8.360 nan 0.000 0.406 390 P HA 0.021 nan 4.420 nan 0.000 0.267 390 P C -0.418 176.837 177.300 -0.075 0.000 1.201 390 P CA 0.335 63.357 63.100 -0.131 0.000 0.775 390 P CB 0.474 32.073 31.700 -0.168 0.000 0.854 391 R N 3.259 123.723 120.500 -0.060 0.000 2.407 391 R HA 0.331 4.672 4.340 0.002 0.000 0.298 391 R C -2.483 173.873 176.300 0.093 0.000 1.166 391 R CA -1.893 54.214 56.100 0.012 0.000 1.006 391 R CB 0.965 31.287 30.300 0.035 0.000 1.145 391 R HN 0.368 nan 8.270 nan 0.000 0.538 392 P HA 0.522 nan 4.420 nan 0.000 0.282 392 P C -0.239 177.011 177.300 -0.082 0.000 1.287 392 P CA -0.012 63.128 63.100 0.067 0.000 0.792 392 P CB 1.682 33.385 31.700 0.004 0.000 1.163 393 G N -0.406 108.201 108.800 -0.321 0.000 2.350 393 G HA2 -0.002 3.960 3.960 0.002 0.000 0.276 393 G HA3 -0.002 3.960 3.960 0.002 0.000 0.276 393 G C -1.552 172.897 174.900 -0.751 0.000 1.313 393 G CA -0.588 44.198 45.100 -0.524 0.000 0.903 393 G HN 0.655 nan 8.290 nan 0.000 0.490 394 N N 0.378 118.690 118.700 -0.646 0.000 2.439 394 N HA 0.449 5.190 4.740 0.002 0.000 0.249 394 N C -1.409 173.809 175.510 -0.487 0.000 1.003 394 N CA -0.104 52.675 53.050 -0.451 0.000 0.942 394 N CB 0.392 38.743 38.487 -0.228 0.000 1.115 394 N HN 0.436 nan 8.380 nan 0.000 0.505 395 Y N 3.341 123.616 120.300 -0.042 0.000 2.712 395 Y HA 0.334 4.885 4.550 0.002 0.000 0.328 395 Y C 1.474 177.320 175.900 -0.089 0.000 0.995 395 Y CA -0.883 57.198 58.100 -0.032 0.000 1.283 395 Y CB 1.215 39.671 38.460 -0.006 0.000 1.092 395 Y HN 0.342 nan 8.280 nan 0.000 0.519 396 R N 1.389 121.863 120.500 -0.043 0.000 2.062 396 R HA -0.048 4.293 4.340 0.002 0.000 0.231 396 R C -0.585 175.384 176.300 -0.552 0.000 1.136 396 R CA 1.321 57.187 56.100 -0.390 0.000 0.948 396 R CB 0.062 30.061 30.300 -0.501 0.000 0.845 396 R HN 0.418 nan 8.270 nan 0.000 0.430 397 Y N -1.812 118.583 120.300 0.158 0.000 2.634 397 Y HA 0.690 5.241 4.550 0.002 0.000 0.340 397 Y C -0.288 175.708 175.900 0.160 0.000 1.058 397 Y CA -1.378 56.811 58.100 0.147 0.000 1.081 397 Y CB 1.978 40.501 38.460 0.106 0.000 1.295 397 Y HN 0.073 nan 8.280 nan 0.000 0.487 398 A N 0.743 123.770 122.820 0.344 0.000 2.599 398 A HA 0.868 5.190 4.320 0.002 0.000 0.290 398 A C -1.991 175.700 177.584 0.179 0.000 1.101 398 A CA -0.637 51.541 52.037 0.236 0.000 0.674 398 A CB 1.449 20.608 19.000 0.264 0.000 1.277 398 A HN 0.616 nan 8.150 nan 0.000 0.419 399 I N 1.147 121.768 120.570 0.085 0.000 2.656 399 I HA 0.304 4.476 4.170 0.002 0.000 0.292 399 I C -0.589 175.540 176.117 0.020 0.000 1.144 399 I CA -0.420 60.914 61.300 0.058 0.000 1.038 399 I CB 2.298 40.304 38.000 0.011 0.000 1.244 399 I HN 0.830 nan 8.210 nan 0.000 0.420 400 N N 4.554 123.300 118.700 0.076 0.000 2.421 400 N HA 0.342 5.083 4.740 0.002 0.000 0.285 400 N C -1.145 174.315 175.510 -0.083 0.000 1.027 400 N CA -0.557 52.503 53.050 0.016 0.000 0.918 400 N CB 0.955 39.516 38.487 0.123 0.000 1.152 400 N HN 0.491 nan 8.380 nan 0.000 0.485 401 N N 1.169 119.754 118.700 -0.191 0.000 2.421 401 N HA 0.310 5.051 4.740 0.002 0.000 0.285 401 N C -1.584 173.560 175.510 -0.610 0.000 1.027 401 N CA -0.242 52.513 53.050 -0.492 0.000 0.918 401 N CB 1.868 40.038 38.487 -0.528 0.000 1.152 401 N HN 0.325 nan 8.380 nan 0.000 0.485 402 S N 1.903 117.061 115.700 -0.903 0.000 2.721 402 S HA 0.425 4.897 4.470 0.002 0.000 0.264 402 S C -1.507 172.544 174.600 -0.916 0.000 1.161 402 S CA -0.556 57.171 58.200 -0.788 0.000 1.113 402 S CB -0.094 62.926 63.200 -0.300 0.000 1.079 402 S HN 0.320 nan 8.310 nan 0.000 0.479 403 F N 1.446 120.687 119.950 -1.182 0.000 2.564 403 F HA 0.539 5.067 4.527 0.001 0.000 0.368 403 F C 0.869 176.332 175.800 -0.561 0.000 1.127 403 F CA -1.294 56.341 58.000 -0.609 0.000 1.170 403 F CB 0.549 39.370 39.000 -0.298 0.000 1.397 403 F HN 0.524 nan 8.300 nan 0.000 0.493 404 G N 0.944 109.645 108.800 -0.165 0.000 2.507 404 G HA2 0.422 4.383 3.960 0.002 0.000 0.271 404 G HA3 0.422 4.383 3.960 0.002 0.000 0.271 404 G C -0.264 174.670 174.900 0.057 0.000 1.189 404 G CA -0.606 44.433 45.100 -0.102 0.000 0.859 404 G HN 0.367 nan 8.290 nan 0.000 0.542 405 F N 0.131 120.205 119.950 0.206 0.000 2.642 405 F HA 0.240 4.769 4.527 0.002 0.000 0.371 405 F C 1.751 177.667 175.800 0.193 0.000 1.120 405 F CA 1.400 59.516 58.000 0.193 0.000 1.331 405 F CB 0.578 39.698 39.000 0.200 0.000 1.044 405 F HN 0.824 nan 8.300 nan 0.000 0.594 406 G N 0.729 109.722 108.800 0.322 0.000 2.213 406 G HA2 0.013 3.974 3.960 0.002 0.000 0.236 406 G HA3 0.013 3.974 3.960 0.002 0.000 0.236 406 G C 0.667 175.545 174.900 -0.037 0.000 0.991 406 G CA -0.136 45.051 45.100 0.146 0.000 0.629 406 G HN 1.939 nan 8.290 nan 0.000 0.517 407 G N -0.258 108.552 108.800 0.016 0.000 2.303 407 G HA2 -0.106 3.855 3.960 0.002 0.000 0.260 407 G HA3 -0.106 3.855 3.960 0.002 0.000 0.260 407 G C -0.270 174.509 174.900 -0.202 0.000 1.106 407 G CA 0.465 45.531 45.100 -0.057 0.000 0.900 407 G HN 1.297 nan 8.290 nan 0.000 0.495 408 H N 0.794 119.908 119.070 0.073 0.000 2.581 408 H HA 0.333 4.891 4.556 0.002 0.000 0.308 408 H C -0.071 175.297 175.328 0.067 0.000 1.040 408 H CA -0.564 55.515 56.048 0.052 0.000 1.231 408 H CB 0.911 30.697 29.762 0.040 0.000 1.396 408 H HN 0.322 nan 8.280 nan 0.000 0.467 409 N N 2.838 121.642 118.700 0.174 0.000 2.400 409 N HA 0.323 5.065 4.740 0.002 0.000 0.288 409 N C -0.584 175.061 175.510 0.225 0.000 1.024 409 N CA -0.492 52.714 53.050 0.259 0.000 0.894 409 N CB 2.974 41.485 38.487 0.040 0.000 1.173 409 N HN 0.191 nan 8.380 nan 0.000 0.487 410 V N 0.504 120.569 119.914 0.252 0.000 2.733 410 V HA 0.747 4.868 4.120 0.002 0.000 0.306 410 V C -0.774 175.369 176.094 0.081 0.000 1.084 410 V CA -0.913 61.450 62.300 0.104 0.000 0.905 410 V CB 1.787 33.619 31.823 0.015 0.000 1.010 410 V HN 0.812 nan 8.190 nan 0.000 0.424 411 A N 6.087 128.940 122.820 0.055 0.000 2.357 411 A HA 0.912 5.233 4.320 0.002 0.000 0.295 411 A C -1.027 176.494 177.584 -0.104 0.000 1.121 411 A CA -0.369 51.675 52.037 0.012 0.000 0.742 411 A CB 0.831 19.881 19.000 0.083 0.000 1.181 411 A HN 0.750 nan 8.150 nan 0.000 0.454 412 I N 2.117 122.603 120.570 -0.141 0.000 2.433 412 I HA 0.567 4.738 4.170 0.002 0.000 0.292 412 I C 0.571 176.453 176.117 -0.392 0.000 1.001 412 I CA -0.603 60.500 61.300 -0.329 0.000 1.119 412 I CB 2.144 39.935 38.000 -0.349 0.000 1.289 412 I HN 0.684 nan 8.210 nan 0.000 0.438 413 A N 6.644 129.149 122.820 -0.526 0.000 2.289 413 A HA 0.730 5.051 4.320 0.002 0.000 0.298 413 A C -1.051 176.211 177.584 -0.536 0.000 1.208 413 A CA -0.100 51.705 52.037 -0.386 0.000 0.845 413 A CB 0.010 18.822 19.000 -0.314 0.000 1.125 413 A HN 0.519 nan 8.150 nan 0.000 0.517 414 F N 1.566 121.509 119.950 -0.012 0.000 2.467 414 F HA 0.597 5.125 4.527 0.003 0.000 0.336 414 F C 0.857 176.770 175.800 0.188 0.000 1.123 414 F CA -0.309 57.724 58.000 0.056 0.000 0.964 414 F CB 2.493 41.520 39.000 0.045 0.000 1.136 414 F HN 0.669 nan 8.300 nan 0.000 0.447 415 G N 2.655 111.705 108.800 0.416 0.000 2.452 415 G HA2 0.517 4.478 3.960 0.002 0.000 0.324 415 G HA3 0.517 4.478 3.960 0.002 0.000 0.324 415 G C -1.024 174.093 174.900 0.361 0.000 1.214 415 G CA -0.982 44.448 45.100 0.550 0.000 0.947 415 G HN 0.683 nan 8.290 nan 0.000 0.478 416 R N 0.518 121.150 120.500 0.220 0.000 2.784 416 R HA 0.229 4.570 4.340 0.002 0.000 0.266 416 R C -0.732 175.687 176.300 0.199 0.000 1.044 416 R CA -0.246 55.946 56.100 0.154 0.000 1.151 416 R CB 0.334 30.660 30.300 0.044 0.000 1.037 416 R HN 0.537 nan 8.270 nan 0.000 0.478 417 Y N 0.000 120.336 120.300 0.060 0.000 2.660 417 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 417 Y CA 0.000 58.131 58.100 0.051 0.000 1.940 417 Y CB 0.000 38.488 38.460 0.047 0.000 1.050 417 Y HN 0.000 nan 8.280 nan 0.000 0.758