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 1zfn_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNDRDFMRYS RQILLDDIAL DGQQKLLDSQ VLIIGLGGLG TPAALYLAGA DATA SEQUENCE GVGTLVLADD DDVHLSNLQR QILFTTEDID RPKSQVSQQR LTQLNPDIQL DATA SEQUENCE TALQQRLTGE ALKDAVARAD VVLDCTDNMA TRQEINAACV ALNTPLITAS DATA SEQUENCE AVGFGGQLMV LTPPWEQGCY RCLWPDNQEP ERNCRTAGVV GPVVGVMGTL DATA SEQUENCE QALEAIKLLS GIETPAGELR LFDGKSSQWR SLALRRASGC PVCG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.370 176.300 0.116 0.000 1.140 1 M CA 0.000 55.383 55.300 0.139 0.000 0.988 1 M CB 0.000 32.734 32.600 0.223 0.000 1.302 2 N N -0.158 118.599 118.700 0.094 0.000 2.447 2 N HA 0.369 5.109 4.740 0.000 0.000 0.271 2 N C -0.097 175.457 175.510 0.073 0.000 1.226 2 N CA -0.635 52.447 53.050 0.052 0.000 0.980 2 N CB 0.633 39.137 38.487 0.027 0.000 1.206 2 N HN 0.509 nan 8.380 nan 0.000 0.558 3 D N -0.815 119.593 120.400 0.013 0.000 2.221 3 D HA -0.183 4.457 4.640 0.000 0.000 0.204 3 D C 1.553 177.899 176.300 0.077 0.000 0.982 3 D CA 1.004 55.010 54.000 0.011 0.000 0.857 3 D CB 0.009 40.787 40.800 -0.036 0.000 0.934 3 D HN 0.590 nan 8.370 nan 0.000 0.475 4 R N 0.919 121.440 120.500 0.034 0.000 2.070 4 R HA -0.122 4.218 4.340 0.000 0.000 0.227 4 R C 1.705 177.975 176.300 -0.050 0.000 1.147 4 R CA 1.391 57.487 56.100 -0.007 0.000 0.924 4 R CB -0.078 30.205 30.300 -0.028 0.000 0.827 4 R HN -0.068 nan 8.270 nan 0.000 0.431 5 D N -0.031 120.332 120.400 -0.062 0.000 2.170 5 D HA -0.238 4.402 4.640 0.000 0.000 0.193 5 D C 1.710 177.896 176.300 -0.190 0.000 1.004 5 D CA 1.468 55.348 54.000 -0.200 0.000 0.860 5 D CB -0.286 40.523 40.800 0.013 0.000 0.931 5 D HN 0.204 nan 8.370 nan 0.000 0.448 6 F N 0.764 120.664 119.950 -0.084 0.000 2.069 6 F HA -0.255 4.272 4.527 0.000 0.000 0.298 6 F C 2.417 178.194 175.800 -0.039 0.000 1.113 6 F CA 1.455 59.447 58.000 -0.015 0.000 1.214 6 F CB -0.212 38.788 39.000 -0.001 0.000 0.978 6 F HN -0.123 nan 8.300 nan 0.000 0.474 7 M N 0.566 120.255 119.600 0.149 0.000 2.175 7 M HA -0.115 4.365 4.480 0.000 0.000 0.264 7 M C 2.241 178.500 176.300 -0.070 0.000 1.063 7 M CA 1.616 56.954 55.300 0.064 0.000 1.119 7 M CB -0.685 31.954 32.600 0.066 0.000 1.377 7 M HN 0.187 nan 8.290 nan 0.000 0.415 8 R N -0.778 119.611 120.500 -0.184 0.000 2.070 8 R HA -0.186 4.154 4.340 0.000 0.000 0.232 8 R C 1.525 177.722 176.300 -0.171 0.000 1.138 8 R CA 2.171 58.110 56.100 -0.268 0.000 0.936 8 R CB -0.838 29.138 30.300 -0.539 0.000 0.839 8 R HN 0.537 nan 8.270 nan 0.000 0.429 9 Y N 1.387 121.629 120.300 -0.096 0.000 2.502 9 Y HA -0.005 4.545 4.550 0.000 0.000 0.295 9 Y C 2.459 178.248 175.900 -0.184 0.000 1.193 9 Y CA -0.076 57.949 58.100 -0.126 0.000 1.295 9 Y CB 0.153 38.531 38.460 -0.136 0.000 1.059 9 Y HN 0.340 nan 8.280 nan 0.000 0.514 10 S N 1.211 116.861 115.700 -0.083 0.000 2.372 10 S HA -0.295 4.175 4.470 0.000 0.000 0.227 10 S C 1.835 176.389 174.600 -0.077 0.000 1.044 10 S CA 1.383 59.494 58.200 -0.149 0.000 1.050 10 S CB -0.218 62.931 63.200 -0.085 0.000 0.901 10 S HN 0.338 nan 8.310 nan 0.000 0.447 11 R N 1.121 121.605 120.500 -0.027 0.000 2.316 11 R HA 0.238 4.578 4.340 0.000 0.000 0.202 11 R C 2.321 178.611 176.300 -0.016 0.000 1.029 11 R CA 1.113 57.204 56.100 -0.014 0.000 1.018 11 R CB -0.519 29.782 30.300 0.001 0.000 0.888 11 R HN 0.816 nan 8.270 nan 0.000 0.471 12 Q N -0.289 119.499 119.800 -0.020 0.000 2.390 12 Q HA 0.142 4.482 4.340 0.000 0.000 0.216 12 Q C 1.619 177.585 176.000 -0.057 0.000 0.916 12 Q CA 0.405 56.190 55.803 -0.030 0.000 0.911 12 Q CB 0.295 29.018 28.738 -0.024 0.000 1.035 12 Q HN 0.291 nan 8.270 nan 0.000 0.541 13 I N 1.135 121.653 120.570 -0.086 0.000 2.394 13 I HA -0.208 3.962 4.170 0.000 0.000 0.251 13 I C 1.552 177.625 176.117 -0.073 0.000 1.136 13 I CA 0.757 61.990 61.300 -0.112 0.000 1.425 13 I CB 0.039 37.900 38.000 -0.232 0.000 1.079 13 I HN 0.258 nan 8.210 nan 0.000 0.425 14 L N 1.245 122.433 121.223 -0.059 0.000 2.675 14 L HA 0.007 4.347 4.340 0.000 0.000 0.238 14 L C 0.453 177.310 176.870 -0.021 0.000 1.155 14 L CA 0.260 55.084 54.840 -0.027 0.000 0.881 14 L CB -0.437 41.612 42.059 -0.016 0.000 1.008 14 L HN 0.207 nan 8.230 nan 0.000 0.443 15 L N 0.311 121.517 121.223 -0.029 0.000 2.257 15 L HA 0.152 4.492 4.340 0.000 0.000 0.290 15 L C 1.018 177.874 176.870 -0.024 0.000 1.044 15 L CA -0.527 54.298 54.840 -0.026 0.000 0.810 15 L CB 1.416 43.456 42.059 -0.031 0.000 1.193 15 L HN 0.106 nan 8.230 nan 0.000 0.425 16 D N 1.483 121.872 120.400 -0.018 0.000 2.170 16 D HA -0.236 4.404 4.640 0.000 0.000 0.193 16 D C 0.963 177.251 176.300 -0.020 0.000 1.004 16 D CA 1.736 55.727 54.000 -0.015 0.000 0.860 16 D CB 0.258 41.049 40.800 -0.014 0.000 0.931 16 D HN 0.599 nan 8.370 nan 0.000 0.448 17 D N -0.199 120.186 120.400 -0.025 0.000 2.312 17 D HA -0.047 4.593 4.640 0.000 0.000 0.211 17 D C 1.884 178.164 176.300 -0.033 0.000 0.964 17 D CA 0.376 54.359 54.000 -0.029 0.000 0.877 17 D CB 0.533 41.314 40.800 -0.033 0.000 0.924 17 D HN 0.277 nan 8.370 nan 0.000 0.515 18 I N 0.299 120.847 120.570 -0.036 0.000 3.345 18 I HA 0.149 4.319 4.170 0.000 0.000 0.258 18 I C 1.344 177.438 176.117 -0.039 0.000 1.134 18 I CA 0.351 61.624 61.300 -0.045 0.000 1.457 18 I CB -1.078 36.888 38.000 -0.058 0.000 1.425 18 I HN -0.131 nan 8.210 nan 0.000 0.461 19 A N 1.254 124.053 122.820 -0.036 0.000 6.359 19 A HA -0.293 4.027 4.320 0.000 0.000 0.256 19 A C 0.932 178.498 177.584 -0.030 0.000 2.122 19 A CA 1.044 53.067 52.037 -0.024 0.000 0.707 19 A CB -1.487 17.508 19.000 -0.009 0.000 1.048 19 A HN 0.355 nan 8.150 nan 0.000 0.373 20 L N -0.032 121.189 121.223 -0.002 0.000 2.217 20 L HA 0.039 4.379 4.340 0.000 0.000 0.211 20 L C 2.028 178.902 176.870 0.007 0.000 1.107 20 L CA 2.998 57.846 54.840 0.013 0.000 0.783 20 L CB -0.811 41.299 42.059 0.084 0.000 0.919 20 L HN 0.887 nan 8.230 nan 0.000 0.442 21 D N -1.753 118.648 120.400 0.002 0.000 2.097 21 D HA -0.120 4.520 4.640 0.000 0.000 0.197 21 D C 2.158 178.444 176.300 -0.023 0.000 0.984 21 D CA 1.130 55.127 54.000 -0.004 0.000 0.826 21 D CB -1.077 39.721 40.800 -0.003 0.000 0.973 21 D HN 0.243 nan 8.370 nan 0.000 0.460 22 G N 0.020 108.800 108.800 -0.034 0.000 2.421 22 G HA2 -0.359 3.601 3.960 0.000 0.000 0.216 22 G HA3 -0.359 3.601 3.960 0.000 0.000 0.216 22 G C 1.716 176.572 174.900 -0.074 0.000 1.171 22 G CA 0.877 45.947 45.100 -0.051 0.000 0.775 22 G HN 0.295 nan 8.290 nan 0.000 0.543 23 Q N -0.202 119.546 119.800 -0.086 0.000 2.248 23 Q HA -0.110 4.230 4.340 0.000 0.000 0.208 23 Q C 2.534 178.466 176.000 -0.114 0.000 0.984 23 Q CA 1.464 57.185 55.803 -0.136 0.000 0.875 23 Q CB -0.259 28.406 28.738 -0.122 0.000 0.910 23 Q HN 0.451 nan 8.270 nan 0.000 0.433 24 Q N 0.070 119.838 119.800 -0.054 0.000 2.020 24 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 24 Q C 1.931 177.906 176.000 -0.042 0.000 0.974 24 Q CA 1.442 57.227 55.803 -0.029 0.000 0.829 24 Q CB -0.096 28.640 28.738 -0.003 0.000 0.894 24 Q HN 0.453 nan 8.270 nan 0.000 0.433 25 K N 0.535 120.909 120.400 -0.044 0.000 2.059 25 K HA -0.164 4.156 4.320 0.000 0.000 0.212 25 K C 2.301 178.868 176.600 -0.055 0.000 1.050 25 K CA 1.281 57.543 56.287 -0.042 0.000 0.927 25 K CB -0.364 32.111 32.500 -0.042 0.000 0.714 25 K HN 0.141 nan 8.250 nan 0.000 0.447 26 L N 0.409 121.581 121.223 -0.084 0.000 1.989 26 L HA -0.239 4.101 4.340 0.000 0.000 0.211 26 L C 2.308 179.123 176.870 -0.093 0.000 1.071 26 L CA 1.087 55.864 54.840 -0.105 0.000 0.749 26 L CB -0.624 41.332 42.059 -0.172 0.000 0.890 26 L HN 0.124 nan 8.230 nan 0.000 0.431 27 L N -0.396 120.767 121.223 -0.100 0.000 2.349 27 L HA -0.204 4.136 4.340 0.000 0.000 0.220 27 L C 1.692 178.549 176.870 -0.022 0.000 1.130 27 L CA 1.559 56.367 54.840 -0.053 0.000 0.791 27 L CB -0.615 41.431 42.059 -0.022 0.000 0.918 27 L HN 0.286 nan 8.230 nan 0.000 0.444 28 D N -2.020 118.365 120.400 -0.025 0.000 2.369 28 D HA 0.121 4.761 4.640 0.000 0.000 0.211 28 D C 0.584 176.875 176.300 -0.015 0.000 1.077 28 D CA 0.181 54.173 54.000 -0.013 0.000 0.842 28 D CB 0.476 41.269 40.800 -0.011 0.000 0.947 28 D HN 0.191 nan 8.370 nan 0.000 0.509 29 S N 0.291 115.978 115.700 -0.023 0.000 2.687 29 S HA 0.381 4.851 4.470 0.000 0.000 0.283 29 S C -0.107 174.485 174.600 -0.013 0.000 1.170 29 S CA -0.663 57.525 58.200 -0.020 0.000 1.008 29 S CB 2.552 65.735 63.200 -0.028 0.000 1.026 29 S HN 0.052 nan 8.310 nan 0.000 0.541 30 Q N 1.250 121.045 119.800 -0.008 0.000 2.292 30 Q HA 0.585 4.925 4.340 0.000 0.000 0.270 30 Q C -1.999 174.001 176.000 0.000 0.000 1.024 30 Q CA -0.485 55.316 55.803 -0.002 0.000 0.768 30 Q CB 1.331 30.070 28.738 0.002 0.000 1.250 30 Q HN 0.487 nan 8.270 nan 0.000 0.447 31 V N 4.372 124.287 119.914 0.001 0.000 2.459 31 V HA 0.426 4.546 4.120 0.000 0.000 0.295 31 V C -0.736 175.364 176.094 0.010 0.000 1.029 31 V CA -0.861 61.442 62.300 0.005 0.000 0.874 31 V CB 1.611 33.435 31.823 0.002 0.000 0.985 31 V HN 0.707 nan 8.190 nan 0.000 0.438 32 L N 6.478 127.708 121.223 0.013 0.000 2.272 32 L HA 0.652 4.992 4.340 0.000 0.000 0.289 32 L C -0.730 176.149 176.870 0.015 0.000 1.032 32 L CA 0.095 54.944 54.840 0.015 0.000 0.810 32 L CB 1.073 43.142 42.059 0.017 0.000 1.205 32 L HN 0.521 nan 8.230 nan 0.000 0.422 33 I N 6.898 127.476 120.570 0.015 0.000 2.371 33 I HA 0.350 4.520 4.170 0.000 0.000 0.282 33 I C -0.283 175.843 176.117 0.016 0.000 1.031 33 I CA -0.048 61.260 61.300 0.014 0.000 1.180 33 I CB 0.890 38.899 38.000 0.016 0.000 1.336 33 I HN 0.424 nan 8.210 nan 0.000 0.467 34 I N 5.939 126.515 120.570 0.011 0.000 2.312 34 I HA 0.609 4.779 4.170 0.000 0.000 0.291 34 I C 0.744 176.868 176.117 0.011 0.000 1.031 34 I CA -0.316 60.990 61.300 0.010 0.000 1.293 34 I CB 0.442 38.443 38.000 0.001 0.000 1.403 34 I HN 0.771 nan 8.210 nan 0.000 0.484 35 G N 6.147 114.960 108.800 0.021 0.000 3.421 35 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 35 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 35 G C -0.727 174.199 174.900 0.045 0.000 1.056 35 G CA -0.981 44.137 45.100 0.030 0.000 0.891 35 G HN 0.592 nan 8.290 nan 0.000 0.514 36 L N 3.030 124.299 121.223 0.077 0.000 3.096 36 L HA 0.480 4.820 4.340 0.000 0.000 0.247 36 L C 1.531 178.490 176.870 0.148 0.000 1.321 36 L CA 0.101 55.005 54.840 0.108 0.000 1.044 36 L CB 0.080 42.244 42.059 0.174 0.000 1.434 36 L HN 0.763 nan 8.230 nan 0.000 0.533 37 G N -0.386 108.469 108.800 0.092 0.000 2.882 37 G HA2 0.295 4.255 3.960 0.000 0.000 0.164 37 G HA3 0.295 4.255 3.960 0.000 0.000 0.164 37 G C 1.069 175.995 174.900 0.043 0.000 1.429 37 G CA 0.347 45.507 45.100 0.099 0.000 1.059 37 G HN 0.252 nan 8.290 nan 0.000 0.581 38 G N -0.737 108.084 108.800 0.034 0.000 2.471 38 G HA2 -0.020 3.940 3.960 0.000 0.000 0.219 38 G HA3 -0.020 3.940 3.960 0.000 0.000 0.219 38 G C 1.577 176.476 174.900 -0.001 0.000 1.125 38 G CA 0.629 45.734 45.100 0.009 0.000 0.775 38 G HN 0.288 nan 8.290 nan 0.000 0.548 39 L N -0.028 121.198 121.223 0.005 0.000 2.185 39 L HA 0.202 4.542 4.340 0.000 0.000 0.198 39 L C 3.135 180.006 176.870 0.002 0.000 1.079 39 L CA 0.818 55.661 54.840 0.005 0.000 0.780 39 L CB -0.718 41.344 42.059 0.006 0.000 0.955 39 L HN 0.237 nan 8.230 nan 0.000 0.462 40 G N -0.696 108.106 108.800 0.004 0.000 2.450 40 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 40 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 40 G C 1.568 176.456 174.900 -0.019 0.000 1.130 40 G CA 1.420 46.521 45.100 0.002 0.000 0.760 40 G HN 0.229 nan 8.290 nan 0.000 0.557 41 T N 1.744 116.263 114.554 -0.058 0.000 2.643 41 T HA -0.069 4.281 4.350 0.000 0.000 0.264 41 T C 0.230 174.887 174.700 -0.072 0.000 1.045 41 T CA 1.668 63.685 62.100 -0.139 0.000 1.155 41 T CB -0.749 67.954 68.868 -0.275 0.000 0.863 41 T HN 0.255 nan 8.240 nan 0.000 0.420 42 P HA 0.111 nan 4.420 nan 0.000 0.221 42 P C 1.157 178.572 177.300 0.192 0.000 1.150 42 P CA 0.828 63.992 63.100 0.106 0.000 0.800 42 P CB -0.096 31.663 31.700 0.099 0.000 0.787 43 A N 0.433 123.305 122.820 0.087 0.000 1.840 43 A HA 0.004 4.324 4.320 0.000 0.000 0.214 43 A C 2.331 179.961 177.584 0.076 0.000 1.198 43 A CA 1.768 53.855 52.037 0.083 0.000 0.608 43 A CB -1.638 17.382 19.000 0.033 0.000 0.839 43 A HN 0.150 nan 8.150 nan 0.000 0.443 44 A N -0.851 121.986 122.820 0.028 0.000 1.986 44 A HA -0.089 4.231 4.320 0.000 0.000 0.220 44 A C 2.066 179.647 177.584 -0.005 0.000 1.171 44 A CA 1.849 53.891 52.037 0.008 0.000 0.640 44 A CB -0.532 18.462 19.000 -0.010 0.000 0.811 44 A HN 0.426 nan 8.150 nan 0.000 0.451 45 L N -1.711 119.501 121.223 -0.019 0.000 1.973 45 L HA -0.060 4.280 4.340 0.000 0.000 0.208 45 L C 2.351 179.153 176.870 -0.114 0.000 1.073 45 L CA 1.877 56.657 54.840 -0.099 0.000 0.746 45 L CB -1.535 40.424 42.059 -0.166 0.000 0.891 45 L HN 0.510 nan 8.230 nan 0.000 0.433 46 Y N -0.700 119.581 120.300 -0.032 0.000 2.256 46 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 46 Y C 2.495 178.379 175.900 -0.026 0.000 1.155 46 Y CA 1.195 59.278 58.100 -0.027 0.000 1.203 46 Y CB -0.340 38.101 38.460 -0.032 0.000 0.980 46 Y HN 0.140 nan 8.280 nan 0.000 0.530 47 L N -1.235 120.053 121.223 0.108 0.000 2.056 47 L HA -0.217 4.123 4.340 0.000 0.000 0.207 47 L C 2.693 179.573 176.870 0.016 0.000 1.078 47 L CA 0.993 55.860 54.840 0.045 0.000 0.749 47 L CB -0.863 41.213 42.059 0.028 0.000 0.901 47 L HN 0.233 nan 8.230 nan 0.000 0.433 48 A N 0.462 123.288 122.820 0.011 0.000 1.883 48 A HA -0.159 4.161 4.320 0.000 0.000 0.217 48 A C 2.365 179.968 177.584 0.032 0.000 1.186 48 A CA 1.830 53.874 52.037 0.011 0.000 0.624 48 A CB -1.335 17.662 19.000 -0.006 0.000 0.822 48 A HN 0.443 nan 8.150 nan 0.000 0.444 49 G N -0.983 107.819 108.800 0.003 0.000 2.470 49 G HA2 0.073 4.033 3.960 0.000 0.000 0.220 49 G HA3 0.073 4.033 3.960 0.000 0.000 0.220 49 G C 1.470 176.425 174.900 0.091 0.000 1.121 49 G CA 1.242 46.357 45.100 0.024 0.000 0.766 49 G HN 0.833 nan 8.290 nan 0.000 0.553 50 A N -0.524 122.316 122.820 0.034 0.000 2.132 50 A HA 0.481 4.801 4.320 0.000 0.000 0.213 50 A C 1.842 179.262 177.584 -0.274 0.000 1.154 50 A CA 1.350 53.358 52.037 -0.048 0.000 0.753 50 A CB -0.201 18.773 19.000 -0.043 0.000 0.826 50 A HN 1.582 nan 8.150 nan 0.000 0.469 51 G N -0.970 107.730 108.800 -0.165 0.000 2.215 51 G HA2 -0.105 3.855 3.960 0.000 0.000 0.198 51 G HA3 -0.105 3.855 3.960 0.000 0.000 0.198 51 G C -0.078 174.697 174.900 -0.209 0.000 1.047 51 G CA -0.104 44.811 45.100 -0.308 0.000 0.747 51 G HN 0.681 nan 8.290 nan 0.000 0.495 52 V N 0.784 120.638 119.914 -0.098 0.000 2.521 52 V HA 0.443 4.563 4.120 0.000 0.000 0.286 52 V C 2.170 178.244 176.094 -0.033 0.000 1.034 52 V CA 1.124 63.383 62.300 -0.068 0.000 1.045 52 V CB 0.906 32.706 31.823 -0.038 0.000 0.974 52 V HN 0.747 nan 8.190 nan 0.000 0.480 53 G N 5.024 113.805 108.800 -0.031 0.000 2.631 53 G HA2 -0.177 3.783 3.960 0.000 0.000 0.219 53 G HA3 -0.177 3.783 3.960 0.000 0.000 0.219 53 G C 0.638 175.541 174.900 0.006 0.000 1.214 53 G CA 1.222 46.319 45.100 -0.005 0.000 0.785 53 G HN 0.630 nan 8.290 nan 0.000 0.596 54 T N 0.194 114.749 114.554 0.002 0.000 2.881 54 T HA 0.601 4.951 4.350 0.000 0.000 0.290 54 T C -0.784 173.919 174.700 0.006 0.000 1.000 54 T CA -0.433 61.672 62.100 0.007 0.000 0.978 54 T CB 1.998 70.870 68.868 0.008 0.000 0.997 54 T HN 0.095 nan 8.240 nan 0.000 0.443 55 L N 3.044 124.273 121.223 0.009 0.000 2.319 55 L HA 0.561 4.901 4.340 0.000 0.000 0.281 55 L C -0.470 176.408 176.870 0.013 0.000 1.005 55 L CA -1.116 53.730 54.840 0.010 0.000 0.828 55 L CB 1.790 43.855 42.059 0.011 0.000 1.227 55 L HN 0.365 nan 8.230 nan 0.000 0.415 56 V N 5.416 125.338 119.914 0.013 0.000 2.304 56 V HA 0.221 4.341 4.120 0.000 0.000 0.262 56 V C 0.330 176.435 176.094 0.018 0.000 1.061 56 V CA -0.293 62.016 62.300 0.015 0.000 0.872 56 V CB 0.747 32.579 31.823 0.014 0.000 1.077 56 V HN 0.513 nan 8.190 nan 0.000 0.480 57 L N 5.079 126.314 121.223 0.021 0.000 2.363 57 L HA 0.623 4.963 4.340 0.000 0.000 0.286 57 L C 0.657 177.544 176.870 0.029 0.000 1.106 57 L CA 0.163 55.020 54.840 0.028 0.000 0.859 57 L CB 0.439 42.518 42.059 0.034 0.000 1.223 57 L HN 0.644 nan 8.230 nan 0.000 0.446 58 A N 3.393 126.229 122.820 0.027 0.000 2.324 58 A HA 0.765 5.085 4.320 0.000 0.000 0.330 58 A C -0.635 176.967 177.584 0.030 0.000 1.165 58 A CA -0.340 51.712 52.037 0.025 0.000 0.813 58 A CB 1.226 20.237 19.000 0.018 0.000 1.197 58 A HN 0.677 nan 8.150 nan 0.000 0.484 59 D N 0.804 121.219 120.400 0.026 0.000 2.419 59 D HA -0.013 4.627 4.640 0.000 0.000 0.194 59 D C -1.179 175.129 176.300 0.014 0.000 1.096 59 D CA -0.095 53.921 54.000 0.027 0.000 0.821 59 D CB 1.004 41.832 40.800 0.047 0.000 3.027 59 D HN 0.599 nan 8.370 nan 0.000 0.479 60 D N 1.260 121.667 120.400 0.011 0.000 2.340 60 D HA 0.047 4.687 4.640 0.000 0.000 0.217 60 D C 0.215 176.516 176.300 0.001 0.000 1.081 60 D CA -0.050 53.953 54.000 0.005 0.000 0.842 60 D CB 0.792 41.597 40.800 0.009 0.000 0.934 60 D HN 0.207 nan 8.370 nan 0.000 0.511 61 D N 0.116 120.515 120.400 -0.002 0.000 2.478 61 D HA 0.330 4.970 4.640 0.000 0.000 0.263 61 D C -1.086 175.152 176.300 -0.104 0.000 1.153 61 D CA -0.393 53.603 54.000 -0.007 0.000 1.038 61 D CB 1.587 42.411 40.800 0.040 0.000 1.120 61 D HN -0.221 nan 8.370 nan 0.000 0.564 62 D N -0.691 119.586 120.400 -0.205 0.000 2.340 62 D HA 0.340 4.980 4.640 0.000 0.000 0.240 62 D C -0.672 175.154 176.300 -0.790 0.000 1.001 62 D CA -0.550 53.203 54.000 -0.411 0.000 0.888 62 D CB 1.890 42.504 40.800 -0.310 0.000 1.310 62 D HN -0.016 nan 8.370 nan 0.000 0.474 63 V N 3.134 122.641 119.914 -0.680 0.000 2.540 63 V HA 0.076 4.196 4.120 0.000 0.000 0.297 63 V C 0.128 175.860 176.094 -0.604 0.000 1.024 63 V CA 0.371 62.259 62.300 -0.687 0.000 1.105 63 V CB -0.131 31.277 31.823 -0.691 0.000 0.938 63 V HN 0.478 nan 8.190 nan 0.000 0.482 64 H N 3.861 122.867 119.070 -0.108 0.000 2.670 64 H HA 0.321 4.877 4.556 0.000 0.000 0.361 64 H C 0.642 175.957 175.328 -0.022 0.000 1.169 64 H CA -0.980 55.036 56.048 -0.052 0.000 1.198 64 H CB 2.066 31.808 29.762 -0.033 0.000 1.700 64 H HN 0.492 nan 8.280 nan 0.000 0.542 65 L N 2.015 123.310 121.223 0.120 0.000 2.042 65 L HA -0.196 4.144 4.340 0.000 0.000 0.210 65 L C 2.191 179.104 176.870 0.072 0.000 1.076 65 L CA 2.222 57.104 54.840 0.071 0.000 0.749 65 L CB -0.890 41.198 42.059 0.049 0.000 0.893 65 L HN 0.698 nan 8.230 nan 0.000 0.432 66 S N -1.122 114.625 115.700 0.078 0.000 2.469 66 S HA -0.128 4.342 4.470 0.000 0.000 0.238 66 S C 1.712 176.357 174.600 0.074 0.000 0.998 66 S CA 0.955 59.190 58.200 0.059 0.000 0.957 66 S CB -0.820 62.404 63.200 0.039 0.000 0.764 66 S HN 0.577 nan 8.310 nan 0.000 0.514 67 N N 2.312 121.076 118.700 0.108 0.000 2.216 67 N HA 0.110 4.850 4.740 0.000 0.000 0.183 67 N C 1.539 177.125 175.510 0.126 0.000 1.017 67 N CA 1.041 54.169 53.050 0.131 0.000 0.861 67 N CB -0.672 37.919 38.487 0.173 0.000 0.986 67 N HN 0.452 nan 8.380 nan 0.000 0.428 68 L N 1.227 122.517 121.223 0.112 0.000 2.651 68 L HA -0.174 4.166 4.340 0.000 0.000 0.236 68 L C 1.505 178.409 176.870 0.057 0.000 1.173 68 L CA 0.796 55.694 54.840 0.096 0.000 0.843 68 L CB -0.533 41.573 42.059 0.079 0.000 0.964 68 L HN 0.271 nan 8.230 nan 0.000 0.454 69 Q N 0.565 120.391 119.800 0.043 0.000 2.360 69 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 69 Q C 1.546 177.552 176.000 0.009 0.000 0.915 69 Q CA 0.186 56.001 55.803 0.020 0.000 0.943 69 Q CB 0.105 28.849 28.738 0.010 0.000 1.064 69 Q HN 0.556 nan 8.270 nan 0.000 0.511 70 R N -0.991 119.521 120.500 0.018 0.000 2.540 70 R HA 0.153 4.493 4.340 0.000 0.000 0.273 70 R C -0.221 176.078 176.300 -0.003 0.000 0.937 70 R CA -0.103 56.000 56.100 0.004 0.000 1.127 70 R CB 0.186 30.485 30.300 -0.001 0.000 1.745 70 R HN 0.184 nan 8.270 nan 0.000 0.485 71 Q N 2.648 122.458 119.800 0.018 0.000 3.008 71 Q HA 0.250 4.590 4.340 0.000 0.000 0.307 71 Q C 1.113 177.028 176.000 -0.142 0.000 1.273 71 Q CA -0.274 55.502 55.803 -0.045 0.000 1.091 71 Q CB 0.916 29.728 28.738 0.123 0.000 1.393 71 Q HN 0.470 nan 8.270 nan 0.000 0.521 72 I N -2.441 118.055 120.570 -0.124 0.000 3.055 72 I HA -0.225 3.945 4.170 0.000 0.000 0.277 72 I C 1.228 177.231 176.117 -0.189 0.000 1.306 72 I CA 0.894 62.127 61.300 -0.112 0.000 1.426 72 I CB -0.117 37.843 38.000 -0.066 0.000 1.081 72 I HN 0.321 nan 8.210 nan 0.000 0.502 73 L N 0.034 121.010 121.223 -0.413 0.000 2.592 73 L HA 0.454 4.794 4.340 0.000 0.000 0.227 73 L C -0.032 176.626 176.870 -0.353 0.000 1.127 73 L CA 0.488 55.063 54.840 -0.442 0.000 0.884 73 L CB -0.259 41.450 42.059 -0.584 0.000 1.065 73 L HN 0.115 nan 8.230 nan 0.000 0.457 74 F N -1.879 118.063 119.950 -0.014 0.000 2.618 74 F HA 0.595 5.122 4.527 0.000 0.000 0.332 74 F C 0.602 176.393 175.800 -0.014 0.000 1.061 74 F CA -1.131 56.859 58.000 -0.018 0.000 0.974 74 F CB 1.555 40.542 39.000 -0.023 0.000 1.310 74 F HN -0.417 nan 8.300 nan 0.000 0.491 75 T N -0.725 113.952 114.554 0.205 0.000 2.916 75 T HA 0.178 4.528 4.350 0.000 0.000 0.292 75 T C 0.652 175.390 174.700 0.064 0.000 1.064 75 T CA -0.526 61.634 62.100 0.099 0.000 1.011 75 T CB 1.903 70.810 68.868 0.064 0.000 1.152 75 T HN 0.600 nan 8.240 nan 0.000 0.510 76 T N 1.508 116.087 114.554 0.042 0.000 2.803 76 T HA -0.108 4.242 4.350 0.000 0.000 0.269 76 T C 1.598 176.303 174.700 0.009 0.000 1.052 76 T CA 1.521 63.636 62.100 0.024 0.000 1.136 76 T CB -0.128 68.752 68.868 0.021 0.000 0.864 76 T HN 0.593 nan 8.240 nan 0.000 0.467 77 E N 0.835 121.041 120.200 0.010 0.000 2.274 77 E HA -0.077 4.273 4.350 0.000 0.000 0.194 77 E C 1.629 178.219 176.600 -0.017 0.000 0.996 77 E CA 0.682 57.082 56.400 -0.001 0.000 0.840 77 E CB 0.014 29.717 29.700 0.005 0.000 0.772 77 E HN 0.501 nan 8.360 nan 0.000 0.491 78 D N 0.783 121.170 120.400 -0.021 0.000 2.317 78 D HA -0.002 4.638 4.640 0.000 0.000 0.211 78 D C 0.745 176.965 176.300 -0.133 0.000 0.966 78 D CA 0.264 54.222 54.000 -0.070 0.000 0.876 78 D CB 0.217 40.979 40.800 -0.062 0.000 0.927 78 D HN 0.182 nan 8.370 nan 0.000 0.519 79 I N 2.114 122.624 120.570 -0.100 0.000 2.948 79 I HA -0.222 3.948 4.170 0.000 0.000 0.303 79 I C 0.971 177.020 176.117 -0.114 0.000 1.224 79 I CA 0.731 61.963 61.300 -0.113 0.000 1.442 79 I CB 0.285 38.259 38.000 -0.044 0.000 1.328 79 I HN 0.005 nan 8.210 nan 0.000 0.578 80 D N 2.065 122.377 120.400 -0.147 0.000 2.792 80 D HA -0.176 4.464 4.640 0.000 0.000 0.192 80 D C 0.293 176.514 176.300 -0.132 0.000 1.007 80 D CA 1.200 55.134 54.000 -0.111 0.000 1.020 80 D CB -0.438 40.334 40.800 -0.047 0.000 1.089 80 D HN 0.608 nan 8.370 nan 0.000 0.438 81 R N 1.046 121.443 120.500 -0.172 0.000 2.486 81 R HA 0.421 4.761 4.340 0.000 0.000 0.286 81 R C -2.267 173.909 176.300 -0.207 0.000 0.999 81 R CA -1.413 54.595 56.100 -0.152 0.000 0.993 81 R CB 0.918 31.140 30.300 -0.130 0.000 1.084 81 R HN -0.006 nan 8.270 nan 0.000 0.487 82 P HA 0.001 nan 4.420 nan 0.000 0.268 82 P C -0.431 176.764 177.300 -0.175 0.000 1.204 82 P CA 0.055 63.067 63.100 -0.146 0.000 0.768 82 P CB 0.875 32.528 31.700 -0.079 0.000 0.842 83 K N 1.770 122.050 120.400 -0.199 0.000 2.026 83 K HA -0.130 4.190 4.320 0.000 0.000 0.208 83 K C 2.332 178.945 176.600 0.022 0.000 1.048 83 K CA 2.268 58.452 56.287 -0.172 0.000 0.929 83 K CB -0.540 31.909 32.500 -0.085 0.000 0.713 83 K HN 0.573 nan 8.250 nan 0.000 0.439 84 S N 1.239 116.950 115.700 0.019 0.000 2.365 84 S HA -0.299 4.171 4.470 0.000 0.000 0.225 84 S C 2.175 176.797 174.600 0.037 0.000 1.039 84 S CA 1.375 59.600 58.200 0.041 0.000 1.033 84 S CB -0.457 62.755 63.200 0.020 0.000 0.887 84 S HN 0.304 nan 8.310 nan 0.000 0.447 85 Q N 0.721 120.526 119.800 0.008 0.000 2.020 85 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 85 Q C 2.372 178.387 176.000 0.025 0.000 0.982 85 Q CA 2.085 57.892 55.803 0.006 0.000 0.838 85 Q CB -0.386 28.342 28.738 -0.016 0.000 0.899 85 Q HN 0.570 nan 8.270 nan 0.000 0.423 86 V N 0.675 120.601 119.914 0.019 0.000 2.332 86 V HA -0.276 3.844 4.120 0.000 0.000 0.248 86 V C 2.349 178.538 176.094 0.159 0.000 1.055 86 V CA 1.929 64.270 62.300 0.068 0.000 1.038 86 V CB -0.727 31.110 31.823 0.024 0.000 0.651 86 V HN 0.296 nan 8.190 nan 0.000 0.450 87 S N -0.281 115.551 115.700 0.219 0.000 2.354 87 S HA -0.299 4.171 4.470 0.000 0.000 0.219 87 S C 2.038 176.686 174.600 0.079 0.000 1.035 87 S CA 1.755 60.062 58.200 0.178 0.000 1.037 87 S CB -0.569 62.735 63.200 0.173 0.000 0.956 87 S HN 0.659 nan 8.310 nan 0.000 0.428 88 Q N 1.035 120.873 119.800 0.062 0.000 2.308 88 Q HA -0.223 4.117 4.340 0.000 0.000 0.209 88 Q C 2.003 178.021 176.000 0.030 0.000 0.985 88 Q CA 1.578 57.403 55.803 0.036 0.000 0.881 88 Q CB -0.204 28.552 28.738 0.030 0.000 0.917 88 Q HN 0.707 nan 8.270 nan 0.000 0.443 89 Q N -0.869 118.953 119.800 0.037 0.000 2.107 89 Q HA -0.016 4.324 4.340 0.000 0.000 0.195 89 Q C 2.074 178.090 176.000 0.026 0.000 0.964 89 Q CA 0.112 55.932 55.803 0.028 0.000 0.833 89 Q CB 0.199 28.955 28.738 0.029 0.000 0.910 89 Q HN 0.208 nan 8.270 nan 0.000 0.465 90 R N 0.416 120.939 120.500 0.038 0.000 2.115 90 R HA -0.068 4.272 4.340 0.000 0.000 0.230 90 R C 2.299 178.599 176.300 0.000 0.000 1.111 90 R CA 0.782 56.896 56.100 0.024 0.000 0.976 90 R CB -0.499 29.825 30.300 0.039 0.000 0.870 90 R HN 0.366 nan 8.270 nan 0.000 0.445 91 L N 0.058 121.281 121.223 0.001 0.000 2.017 91 L HA -0.163 4.177 4.340 0.000 0.000 0.208 91 L C 2.342 179.208 176.870 -0.006 0.000 1.073 91 L CA 1.600 56.433 54.840 -0.012 0.000 0.745 91 L CB -0.827 41.229 42.059 -0.005 0.000 0.894 91 L HN 0.156 nan 8.230 nan 0.000 0.432 92 T N -0.675 113.881 114.554 0.003 0.000 2.721 92 T HA -0.291 4.059 4.350 0.000 0.000 0.268 92 T C 1.765 176.464 174.700 -0.003 0.000 1.038 92 T CA 1.435 63.537 62.100 0.004 0.000 1.145 92 T CB -0.274 68.599 68.868 0.007 0.000 0.858 92 T HN 0.431 nan 8.240 nan 0.000 0.459 93 Q N -0.151 119.645 119.800 -0.006 0.000 2.364 93 Q HA 0.030 4.370 4.340 0.000 0.000 0.207 93 Q C 2.128 178.117 176.000 -0.019 0.000 0.970 93 Q CA 0.642 56.438 55.803 -0.011 0.000 0.888 93 Q CB -0.186 28.546 28.738 -0.010 0.000 0.951 93 Q HN 0.385 nan 8.270 nan 0.000 0.469 94 L N -0.032 121.177 121.223 -0.022 0.000 2.200 94 L HA 0.144 4.484 4.340 0.000 0.000 0.200 94 L C 0.228 177.085 176.870 -0.021 0.000 1.072 94 L CA 1.184 56.005 54.840 -0.031 0.000 0.787 94 L CB 0.507 42.540 42.059 -0.044 0.000 0.957 94 L HN 0.006 nan 8.230 nan 0.000 0.459 95 N N -0.938 117.759 118.700 -0.005 0.000 2.609 95 N HA 0.283 5.023 4.740 0.000 0.000 0.268 95 N C -2.419 173.098 175.510 0.013 0.000 1.106 95 N CA -1.415 51.642 53.050 0.010 0.000 0.823 95 N CB 1.705 40.224 38.487 0.052 0.000 1.263 95 N HN -0.047 nan 8.380 nan 0.000 0.533 96 P HA 0.138 nan 4.420 nan 0.000 0.235 96 P C -0.159 177.150 177.300 0.015 0.000 1.177 96 P CA 0.572 63.676 63.100 0.006 0.000 0.785 96 P CB 0.390 32.088 31.700 -0.003 0.000 0.885 97 D N -0.244 120.168 120.400 0.019 0.000 2.400 97 D HA 0.075 4.715 4.640 0.000 0.000 0.243 97 D C 0.396 176.735 176.300 0.065 0.000 1.184 97 D CA 0.644 54.666 54.000 0.036 0.000 0.853 97 D CB 0.119 40.934 40.800 0.026 0.000 0.944 97 D HN 0.163 nan 8.370 nan 0.000 0.501 98 I N 0.423 121.025 120.570 0.053 0.000 2.722 98 I HA 0.128 4.298 4.170 0.000 0.000 0.295 98 I C -0.008 176.128 176.117 0.033 0.000 1.161 98 I CA -0.831 60.500 61.300 0.052 0.000 1.032 98 I CB 2.527 40.564 38.000 0.063 0.000 1.244 98 I HN -0.153 nan 8.210 nan 0.000 0.421 99 Q N 5.160 124.976 119.800 0.027 0.000 2.288 99 Q HA 0.537 4.877 4.340 0.000 0.000 0.254 99 Q C -1.632 174.378 176.000 0.018 0.000 0.932 99 Q CA -0.227 55.588 55.803 0.020 0.000 0.902 99 Q CB 0.974 29.722 28.738 0.017 0.000 1.203 99 Q HN 0.553 nan 8.270 nan 0.000 0.415 100 L N 4.272 125.505 121.223 0.016 0.000 2.401 100 L HA 0.344 4.684 4.340 0.000 0.000 0.263 100 L C -0.657 176.223 176.870 0.016 0.000 1.004 100 L CA -0.661 54.189 54.840 0.016 0.000 0.881 100 L CB 1.661 43.730 42.059 0.017 0.000 1.219 100 L HN 0.627 nan 8.230 nan 0.000 0.441 101 T N 2.352 116.915 114.554 0.015 0.000 2.761 101 T HA 0.435 4.785 4.350 0.000 0.000 0.296 101 T C 0.474 175.184 174.700 0.017 0.000 0.934 101 T CA -0.269 61.840 62.100 0.015 0.000 1.091 101 T CB 1.141 70.017 68.868 0.013 0.000 0.896 101 T HN 0.577 nan 8.240 nan 0.000 0.515 102 A N 3.921 126.751 122.820 0.016 0.000 2.276 102 A HA 0.595 4.915 4.320 0.000 0.000 0.300 102 A C -0.275 177.318 177.584 0.015 0.000 1.235 102 A CA -0.520 51.528 52.037 0.018 0.000 0.867 102 A CB 0.081 19.091 19.000 0.016 0.000 1.137 102 A HN 0.646 nan 8.150 nan 0.000 0.527 103 L N 2.565 123.798 121.223 0.016 0.000 2.445 103 L HA 0.281 4.621 4.340 0.000 0.000 0.252 103 L C 0.745 177.622 176.870 0.012 0.000 1.105 103 L CA 0.228 55.076 54.840 0.013 0.000 0.943 103 L CB 0.899 42.966 42.059 0.014 0.000 1.277 103 L HN 0.849 nan 8.230 nan 0.000 0.465 104 Q N 2.647 122.452 119.800 0.008 0.000 2.800 104 Q HA 0.091 4.431 4.340 0.000 0.000 0.261 104 Q C -0.601 175.401 176.000 0.004 0.000 1.093 104 Q CA 0.353 56.158 55.803 0.004 0.000 0.943 104 Q CB 0.013 28.750 28.738 -0.002 0.000 1.591 104 Q HN 0.608 nan 8.270 nan 0.000 0.429 105 Q N 0.254 120.059 119.800 0.008 0.000 2.484 105 Q HA 0.394 4.734 4.340 0.000 0.000 0.285 105 Q C -1.028 174.977 176.000 0.009 0.000 1.097 105 Q CA -0.923 54.884 55.803 0.007 0.000 0.802 105 Q CB 1.899 30.642 28.738 0.008 0.000 1.444 105 Q HN 0.160 nan 8.270 nan 0.000 0.429 106 R N 1.861 122.366 120.500 0.008 0.000 2.825 106 R HA 0.283 4.623 4.340 0.000 0.000 0.261 106 R C -0.545 175.760 176.300 0.007 0.000 1.341 106 R CA -0.202 55.903 56.100 0.009 0.000 1.353 106 R CB -0.224 30.081 30.300 0.009 0.000 1.191 106 R HN 0.569 nan 8.270 nan 0.000 0.590 107 L N 2.958 124.186 121.223 0.007 0.000 2.653 107 L HA -0.084 4.256 4.340 0.000 0.000 0.288 107 L C -0.025 176.848 176.870 0.005 0.000 1.243 107 L CA 1.137 55.981 54.840 0.007 0.000 0.906 107 L CB 0.154 42.217 42.059 0.007 0.000 1.154 107 L HN 0.624 nan 8.230 nan 0.000 0.498 108 T N 1.532 116.090 114.554 0.006 0.000 2.889 108 T HA 0.463 4.813 4.350 0.000 0.000 0.315 108 T C 0.637 175.341 174.700 0.007 0.000 1.291 108 T CA -0.070 62.033 62.100 0.005 0.000 1.028 108 T CB 1.778 70.649 68.868 0.006 0.000 1.235 108 T HN 0.952 nan 8.240 nan 0.000 0.491 109 G N 2.008 110.812 108.800 0.007 0.000 2.674 109 G HA2 -0.408 3.552 3.960 0.000 0.000 0.375 109 G HA3 -0.408 3.552 3.960 0.000 0.000 0.375 109 G C 1.094 175.999 174.900 0.010 0.000 1.175 109 G CA 1.758 46.863 45.100 0.008 0.000 0.925 109 G HN 0.797 nan 8.290 nan 0.000 0.606 110 E N 0.736 120.942 120.200 0.010 0.000 2.013 110 E HA -0.044 4.306 4.350 0.000 0.000 0.202 110 E C 3.060 179.667 176.600 0.011 0.000 1.018 110 E CA 2.855 59.261 56.400 0.011 0.000 0.834 110 E CB -1.152 28.554 29.700 0.010 0.000 0.770 110 E HN 1.070 nan 8.360 nan 0.000 0.459 111 A N 0.336 123.162 122.820 0.010 0.000 1.940 111 A HA -0.245 4.075 4.320 0.000 0.000 0.221 111 A C 2.296 179.887 177.584 0.011 0.000 1.190 111 A CA 2.052 54.095 52.037 0.010 0.000 0.647 111 A CB -0.985 18.020 19.000 0.009 0.000 0.821 111 A HN 0.387 nan 8.150 nan 0.000 0.457 112 L N -0.290 120.940 121.223 0.011 0.000 1.988 112 L HA -0.132 4.208 4.340 0.000 0.000 0.207 112 L C 2.273 179.152 176.870 0.016 0.000 1.071 112 L CA 2.506 57.353 54.840 0.012 0.000 0.744 112 L CB -0.630 41.435 42.059 0.009 0.000 0.893 112 L HN 0.371 nan 8.230 nan 0.000 0.433 113 K N -0.217 120.192 120.400 0.016 0.000 2.127 113 K HA -0.249 4.071 4.320 0.000 0.000 0.208 113 K C 1.662 178.275 176.600 0.022 0.000 1.047 113 K CA 1.972 58.272 56.287 0.021 0.000 0.927 113 K CB -0.546 31.966 32.500 0.020 0.000 0.716 113 K HN 0.468 nan 8.250 nan 0.000 0.450 114 D N 0.567 120.978 120.400 0.018 0.000 2.106 114 D HA -0.171 4.469 4.640 0.000 0.000 0.194 114 D C 1.922 178.233 176.300 0.018 0.000 0.988 114 D CA 1.798 55.809 54.000 0.017 0.000 0.845 114 D CB -0.391 40.418 40.800 0.014 0.000 0.990 114 D HN 0.216 nan 8.370 nan 0.000 0.448 115 A N 0.405 123.235 122.820 0.017 0.000 1.958 115 A HA -0.205 4.115 4.320 0.000 0.000 0.221 115 A C 2.379 179.975 177.584 0.021 0.000 1.178 115 A CA 1.616 53.663 52.037 0.017 0.000 0.642 115 A CB -0.970 18.039 19.000 0.015 0.000 0.816 115 A HN 0.144 nan 8.150 nan 0.000 0.453 116 V N -0.304 119.625 119.914 0.024 0.000 2.220 116 V HA -0.274 3.846 4.120 0.000 0.000 0.242 116 V C 3.060 179.175 176.094 0.035 0.000 1.041 116 V CA 2.224 64.543 62.300 0.033 0.000 0.990 116 V CB -1.512 30.335 31.823 0.039 0.000 0.634 116 V HN 0.650 nan 8.190 nan 0.000 0.452 117 A N -0.134 122.707 122.820 0.036 0.000 1.940 117 A HA -0.331 3.989 4.320 0.000 0.000 0.221 117 A C 2.304 179.903 177.584 0.025 0.000 1.190 117 A CA 2.398 54.456 52.037 0.034 0.000 0.647 117 A CB -0.770 18.250 19.000 0.032 0.000 0.821 117 A HN 0.504 nan 8.150 nan 0.000 0.457 118 R N -0.424 120.089 120.500 0.021 0.000 2.366 118 R HA 0.214 4.554 4.340 0.000 0.000 0.201 118 R C 0.107 176.416 176.300 0.014 0.000 1.057 118 R CA 0.510 56.619 56.100 0.016 0.000 1.086 118 R CB -0.491 29.817 30.300 0.014 0.000 0.914 118 R HN 0.528 nan 8.270 nan 0.000 0.476 119 A N -0.579 122.251 122.820 0.017 0.000 2.454 119 A HA 0.302 4.622 4.320 0.000 0.000 0.302 119 A C -0.418 177.174 177.584 0.014 0.000 1.079 119 A CA -0.916 51.130 52.037 0.015 0.000 0.731 119 A CB 1.444 20.455 19.000 0.018 0.000 1.299 119 A HN 0.198 nan 8.150 nan 0.000 0.413 120 D N -0.112 120.292 120.400 0.006 0.000 2.162 120 D HA 0.092 4.732 4.640 0.000 0.000 0.203 120 D C 0.269 176.571 176.300 0.005 0.000 0.967 120 D CA 1.613 55.614 54.000 0.000 0.000 0.840 120 D CB 0.255 41.050 40.800 -0.009 0.000 0.972 120 D HN 0.232 nan 8.370 nan 0.000 0.482 121 V N 0.889 120.809 119.914 0.010 0.000 2.841 121 V HA 0.325 4.445 4.120 0.000 0.000 0.310 121 V C -0.352 175.758 176.094 0.026 0.000 1.090 121 V CA -0.886 61.425 62.300 0.019 0.000 0.930 121 V CB 3.053 34.882 31.823 0.008 0.000 1.014 121 V HN -0.261 nan 8.190 nan 0.000 0.425 122 V N 4.891 124.829 119.914 0.040 0.000 2.495 122 V HA 0.529 4.649 4.120 0.000 0.000 0.298 122 V C -0.466 175.646 176.094 0.031 0.000 1.031 122 V CA -0.573 61.749 62.300 0.036 0.000 0.871 122 V CB 1.891 33.741 31.823 0.045 0.000 0.988 122 V HN 0.610 nan 8.190 nan 0.000 0.432 123 L N 3.483 124.718 121.223 0.019 0.000 2.298 123 L HA 0.474 4.814 4.340 0.000 0.000 0.284 123 L C -0.544 176.327 176.870 0.001 0.000 1.013 123 L CA -0.437 54.411 54.840 0.012 0.000 0.824 123 L CB 1.726 43.792 42.059 0.011 0.000 1.221 123 L HN 0.680 nan 8.230 nan 0.000 0.418 124 D N 2.506 122.900 120.400 -0.011 0.000 2.325 124 D HA 0.197 4.837 4.640 0.000 0.000 0.251 124 D C -0.206 176.077 176.300 -0.028 0.000 1.196 124 D CA -0.090 53.889 54.000 -0.034 0.000 0.866 124 D CB 0.864 41.619 40.800 -0.076 0.000 1.101 124 D HN 0.468 nan 8.370 nan 0.000 0.476 125 C N 3.274 122.562 119.300 -0.020 0.000 3.144 125 C HA 0.225 4.685 4.460 0.000 0.000 0.253 125 C C 0.904 175.889 174.990 -0.009 0.000 2.010 125 C CA -0.312 58.700 59.018 -0.010 0.000 1.698 125 C CB -0.904 26.837 27.740 0.003 0.000 3.346 125 C HN 0.781 nan 8.230 nan 0.000 0.449 126 T N -3.519 111.020 114.554 -0.025 0.000 3.268 126 T HA 0.170 4.520 4.350 0.000 0.000 0.258 126 T C -0.254 174.426 174.700 -0.032 0.000 0.966 126 T CA -0.153 61.935 62.100 -0.020 0.000 0.952 126 T CB -0.880 67.974 68.868 -0.024 0.000 1.132 126 T HN 0.396 nan 8.240 nan 0.000 0.536 127 D N 2.808 123.187 120.400 -0.034 0.000 6.755 127 D HA -0.169 4.471 4.640 0.000 0.000 0.179 127 D C 0.101 176.374 176.300 -0.045 0.000 1.247 127 D CA 0.931 54.906 54.000 -0.043 0.000 0.816 127 D CB -0.886 39.898 40.800 -0.026 0.000 1.460 127 D HN 0.759 nan 8.370 nan 0.000 0.805 128 N N 1.314 119.975 118.700 -0.064 0.000 2.697 128 N HA 0.081 4.821 4.740 0.000 0.000 0.271 128 N C 0.479 175.946 175.510 -0.072 0.000 1.149 128 N CA -0.694 52.325 53.050 -0.052 0.000 0.939 128 N CB 0.627 39.095 38.487 -0.032 0.000 1.534 128 N HN -0.043 nan 8.380 nan 0.000 0.556 129 M N 4.080 123.641 119.600 -0.065 0.000 2.195 129 M HA -0.058 4.422 4.480 0.000 0.000 0.260 129 M C 1.793 178.089 176.300 -0.007 0.000 1.066 129 M CA 2.103 57.372 55.300 -0.052 0.000 1.089 129 M CB -0.415 32.178 32.600 -0.013 0.000 1.377 129 M HN 0.726 nan 8.290 nan 0.000 0.411 130 A N -1.177 121.645 122.820 0.004 0.000 1.828 130 A HA -0.172 4.148 4.320 0.000 0.000 0.215 130 A C 2.188 179.767 177.584 -0.009 0.000 1.203 130 A CA 2.484 54.530 52.037 0.015 0.000 0.614 130 A CB -1.487 17.522 19.000 0.015 0.000 0.844 130 A HN 0.518 nan 8.150 nan 0.000 0.445 131 T N -0.557 113.982 114.554 -0.025 0.000 2.720 131 T HA -0.196 4.154 4.350 0.000 0.000 0.268 131 T C 2.042 176.701 174.700 -0.068 0.000 1.037 131 T CA 1.653 63.732 62.100 -0.036 0.000 1.144 131 T CB -0.304 68.544 68.868 -0.034 0.000 0.864 131 T HN 0.521 nan 8.240 nan 0.000 0.444 132 R N 0.567 120.998 120.500 -0.116 0.000 2.105 132 R HA -0.134 4.206 4.340 0.000 0.000 0.239 132 R C 2.514 178.698 176.300 -0.193 0.000 1.135 132 R CA 1.274 57.241 56.100 -0.221 0.000 0.967 132 R CB -0.101 29.973 30.300 -0.378 0.000 0.861 132 R HN 0.314 nan 8.270 nan 0.000 0.442 133 Q N 0.155 119.905 119.800 -0.084 0.000 2.119 133 Q HA -0.178 4.162 4.340 0.000 0.000 0.201 133 Q C 1.774 177.771 176.000 -0.005 0.000 0.972 133 Q CA 1.456 57.265 55.803 0.010 0.000 0.847 133 Q CB -0.051 28.737 28.738 0.083 0.000 0.903 133 Q HN 0.526 nan 8.270 nan 0.000 0.433 134 E N -0.151 120.040 120.200 -0.014 0.000 2.152 134 E HA -0.137 4.213 4.350 0.000 0.000 0.192 134 E C 1.634 178.222 176.600 -0.019 0.000 0.983 134 E CA 0.332 56.726 56.400 -0.010 0.000 0.818 134 E CB 0.213 29.910 29.700 -0.006 0.000 0.758 134 E HN 0.122 nan 8.360 nan 0.000 0.467 135 I N 1.572 122.120 120.570 -0.037 0.000 2.233 135 I HA -0.201 3.969 4.170 0.000 0.000 0.243 135 I C 2.217 178.313 176.117 -0.036 0.000 1.093 135 I CA 1.145 62.425 61.300 -0.034 0.000 1.380 135 I CB -1.214 36.754 38.000 -0.053 0.000 1.067 135 I HN 0.162 nan 8.210 nan 0.000 0.413 136 N N 0.977 119.640 118.700 -0.062 0.000 2.061 136 N HA -0.208 4.532 4.740 0.000 0.000 0.193 136 N C 1.832 177.282 175.510 -0.100 0.000 1.030 136 N CA 1.957 54.963 53.050 -0.074 0.000 0.856 136 N CB -0.139 38.333 38.487 -0.025 0.000 1.023 136 N HN 0.345 nan 8.380 nan 0.000 0.424 137 A N 0.382 123.166 122.820 -0.060 0.000 1.845 137 A HA 0.057 4.377 4.320 0.000 0.000 0.215 137 A C 2.431 179.995 177.584 -0.033 0.000 1.195 137 A CA 2.122 54.124 52.037 -0.057 0.000 0.616 137 A CB -1.554 17.431 19.000 -0.025 0.000 0.832 137 A HN 0.478 nan 8.150 nan 0.000 0.443 138 A N -1.008 121.808 122.820 -0.007 0.000 1.892 138 A HA -0.255 4.065 4.320 0.000 0.000 0.218 138 A C 2.338 179.953 177.584 0.052 0.000 1.188 138 A CA 1.930 53.980 52.037 0.020 0.000 0.631 138 A CB -1.464 17.548 19.000 0.020 0.000 0.822 138 A HN 0.628 nan 8.150 nan 0.000 0.447 139 C N -1.435 117.898 119.300 0.054 0.000 2.425 139 C HA -0.048 4.412 4.460 0.000 0.000 0.277 139 C C 2.785 177.943 174.990 0.280 0.000 1.280 139 C CA 1.157 60.262 59.018 0.145 0.000 1.744 139 C CB -1.183 26.643 27.740 0.143 0.000 1.989 139 C HN 0.475 nan 8.230 nan 0.000 0.491 140 V N 0.888 120.841 119.914 0.066 0.000 2.407 140 V HA -0.112 4.008 4.120 0.000 0.000 0.245 140 V C 2.658 178.912 176.094 0.266 0.000 1.041 140 V CA 1.939 64.275 62.300 0.060 0.000 1.040 140 V CB -1.126 30.365 31.823 -0.552 0.000 0.671 140 V HN 0.563 nan 8.190 nan 0.000 0.455 141 A N 0.067 122.957 122.820 0.116 0.000 1.978 141 A HA -0.073 4.247 4.320 0.000 0.000 0.220 141 A C 1.686 179.349 177.584 0.131 0.000 1.170 141 A CA 1.454 53.555 52.037 0.107 0.000 0.636 141 A CB -0.412 18.622 19.000 0.056 0.000 0.810 141 A HN 0.566 nan 8.150 nan 0.000 0.448 142 L N -1.153 120.158 121.223 0.147 0.000 3.154 142 L HA 0.253 4.593 4.340 0.000 0.000 0.266 142 L C -0.199 176.753 176.870 0.136 0.000 1.300 142 L CA -0.564 54.346 54.840 0.117 0.000 1.028 142 L CB -0.661 41.448 42.059 0.083 0.000 1.412 142 L HN 0.153 nan 8.230 nan 0.000 0.564 143 N N 1.679 120.500 118.700 0.201 0.000 2.726 143 N HA -0.191 4.549 4.740 0.000 0.000 0.263 143 N C 0.089 175.619 175.510 0.032 0.000 0.947 143 N CA 1.408 54.532 53.050 0.122 0.000 0.838 143 N CB -0.642 37.842 38.487 -0.004 0.000 0.923 143 N HN 0.621 nan 8.380 nan 0.000 0.559 144 T N -2.819 111.812 114.554 0.129 0.000 2.771 144 T HA 0.575 4.925 4.350 0.000 0.000 0.281 144 T C -2.463 172.317 174.700 0.133 0.000 0.982 144 T CA -2.215 59.930 62.100 0.076 0.000 0.978 144 T CB 2.489 71.404 68.868 0.079 0.000 0.930 144 T HN -0.199 nan 8.240 nan 0.000 0.447 145 P HA 0.290 nan 4.420 nan 0.000 0.270 145 P C -0.943 176.459 177.300 0.169 0.000 1.221 145 P CA -0.577 62.576 63.100 0.087 0.000 0.788 145 P CB 0.328 32.030 31.700 0.004 0.000 0.904 146 L N 1.731 123.079 121.223 0.207 0.000 2.505 146 L HA 0.509 4.849 4.340 0.000 0.000 0.266 146 L C -1.695 175.246 176.870 0.118 0.000 0.954 146 L CA -0.357 54.575 54.840 0.154 0.000 0.852 146 L CB 1.461 43.622 42.059 0.171 0.000 1.282 146 L HN 0.045 nan 8.230 nan 0.000 0.403 147 I N 4.161 124.773 120.570 0.070 0.000 2.359 147 I HA 0.531 4.701 4.170 0.000 0.000 0.284 147 I C 0.289 176.427 176.117 0.034 0.000 1.018 147 I CA -0.011 61.322 61.300 0.055 0.000 1.173 147 I CB 1.528 39.549 38.000 0.034 0.000 1.326 147 I HN 0.644 nan 8.210 nan 0.000 0.462 148 T N 4.814 119.391 114.554 0.037 0.000 2.888 148 T HA 0.953 5.303 4.350 0.000 0.000 0.284 148 T C -0.610 174.101 174.700 0.020 0.000 1.017 148 T CA -0.332 61.767 62.100 -0.003 0.000 1.022 148 T CB 1.127 69.955 68.868 -0.066 0.000 1.013 148 T HN 0.711 nan 8.240 nan 0.000 0.465 149 A N 2.208 125.027 122.820 -0.002 0.000 2.583 149 A HA 0.892 5.212 4.320 0.000 0.000 0.289 149 A C -0.700 176.883 177.584 -0.002 0.000 1.151 149 A CA -0.703 51.347 52.037 0.021 0.000 0.695 149 A CB 1.730 20.748 19.000 0.031 0.000 1.290 149 A HN 1.020 nan 8.150 nan 0.000 0.419 150 S N -1.370 114.339 115.700 0.014 0.000 2.543 150 S HA 0.763 5.233 4.470 0.000 0.000 0.274 150 S C -1.399 173.207 174.600 0.009 0.000 1.149 150 S CA 0.279 58.477 58.200 -0.004 0.000 0.866 150 S CB 1.475 64.662 63.200 -0.022 0.000 1.111 150 S HN 2.449 nan 8.310 nan 0.000 0.457 151 A N 2.134 124.953 122.820 -0.002 0.000 2.488 151 A HA 0.867 5.187 4.320 0.000 0.000 0.298 151 A C -1.328 176.249 177.584 -0.013 0.000 1.044 151 A CA -0.600 51.438 52.037 0.001 0.000 0.693 151 A CB 1.745 20.751 19.000 0.010 0.000 1.272 151 A HN 1.623 nan 8.150 nan 0.000 0.402 152 V N 2.410 122.315 119.914 -0.015 0.000 2.852 152 V HA 0.673 4.793 4.120 0.000 0.000 0.300 152 V C 0.628 176.722 176.094 0.000 0.000 1.205 152 V CA 1.268 63.560 62.300 -0.014 0.000 0.940 152 V CB 1.292 33.106 31.823 -0.015 0.000 1.047 152 V HN 2.949 nan 8.190 nan 0.000 0.429 153 G N 6.259 115.061 108.800 0.002 0.000 2.565 153 G HA2 -0.323 3.637 3.960 0.000 0.000 0.295 153 G HA3 -0.323 3.637 3.960 0.000 0.000 0.295 153 G C 0.086 174.992 174.900 0.011 0.000 1.165 153 G CA 1.129 46.269 45.100 0.068 0.000 0.977 153 G HN 1.147 nan 8.290 nan 0.000 0.546 154 F N 3.442 123.337 119.950 -0.093 0.000 2.653 154 F HA 0.503 5.030 4.527 0.000 0.000 0.304 154 F C 1.574 177.245 175.800 -0.214 0.000 1.092 154 F CA 0.368 58.284 58.000 -0.140 0.000 1.279 154 F CB 0.904 39.801 39.000 -0.171 0.000 1.044 154 F HN 0.636 nan 8.300 nan 0.000 0.564 155 G N -0.306 108.491 108.800 -0.006 0.000 2.415 155 G HA2 0.568 4.528 3.960 0.000 0.000 0.327 155 G HA3 0.568 4.528 3.960 0.000 0.000 0.327 155 G C -0.522 174.362 174.900 -0.027 0.000 1.182 155 G CA -0.622 44.430 45.100 -0.080 0.000 0.924 155 G HN 0.229 nan 8.290 nan 0.000 0.470 156 G N -0.134 108.664 108.800 -0.003 0.000 2.605 156 G HA2 0.687 4.647 3.960 0.000 0.000 0.296 156 G HA3 0.687 4.647 3.960 0.000 0.000 0.296 156 G C -1.040 173.900 174.900 0.067 0.000 1.304 156 G CA -0.593 44.541 45.100 0.057 0.000 0.941 156 G HN 0.617 nan 8.290 nan 0.000 0.475 157 Q N -0.874 118.976 119.800 0.083 0.000 2.416 157 Q HA 0.632 4.972 4.340 0.000 0.000 0.281 157 Q C -1.863 174.211 176.000 0.122 0.000 1.067 157 Q CA -0.843 55.024 55.803 0.106 0.000 0.809 157 Q CB 3.238 32.021 28.738 0.075 0.000 1.418 157 Q HN 0.408 nan 8.270 nan 0.000 0.411 158 L N 1.521 122.831 121.223 0.146 0.000 2.455 158 L HA 0.655 4.995 4.340 0.000 0.000 0.264 158 L C -1.852 175.090 176.870 0.121 0.000 0.968 158 L CA -0.144 54.772 54.840 0.126 0.000 0.827 158 L CB 2.322 44.464 42.059 0.139 0.000 1.317 158 L HN 0.744 nan 8.230 nan 0.000 0.407 159 M N 4.486 124.152 119.600 0.111 0.000 2.378 159 M HA 0.570 5.050 4.480 0.000 0.000 0.289 159 M C -1.583 174.783 176.300 0.110 0.000 1.136 159 M CA -0.724 54.650 55.300 0.123 0.000 0.917 159 M CB 2.498 35.201 32.600 0.171 0.000 1.669 159 M HN 0.267 nan 8.290 nan 0.000 0.461 160 V N 5.076 125.054 119.914 0.106 0.000 2.376 160 V HA 0.470 4.590 4.120 0.000 0.000 0.287 160 V C -0.685 175.495 176.094 0.143 0.000 1.015 160 V CA -0.517 61.844 62.300 0.101 0.000 0.834 160 V CB 1.562 33.420 31.823 0.060 0.000 1.001 160 V HN 0.686 nan 8.190 nan 0.000 0.428 161 L N 5.464 126.814 121.223 0.211 0.000 2.277 161 L HA 0.497 4.837 4.340 0.000 0.000 0.284 161 L C 0.731 177.792 176.870 0.319 0.000 1.028 161 L CA -0.351 54.708 54.840 0.365 0.000 0.835 161 L CB 1.669 44.030 42.059 0.502 0.000 1.215 161 L HN 0.724 nan 8.230 nan 0.000 0.425 162 T N -0.370 114.229 114.554 0.075 0.000 2.904 162 T HA 0.288 4.638 4.350 0.000 0.000 0.290 162 T C -1.800 172.425 174.700 -0.791 0.000 1.018 162 T CA -1.697 60.274 62.100 -0.216 0.000 1.075 162 T CB 1.551 70.332 68.868 -0.145 0.000 0.986 162 T HN 0.227 nan 8.240 nan 0.000 0.523 163 P HA -0.180 nan 4.420 nan 0.000 0.221 163 P C -1.143 175.349 177.300 -1.347 0.000 1.160 163 P CA 1.954 64.353 63.100 -1.168 0.000 0.933 163 P CB -1.170 30.218 31.700 -0.519 0.000 0.793 164 P HA -0.189 nan 4.420 nan 0.000 0.222 164 P C -0.140 177.053 177.300 -0.178 0.000 1.142 164 P CA 1.362 64.249 63.100 -0.355 0.000 0.788 164 P CB -0.700 30.895 31.700 -0.175 0.000 0.767 165 W N -0.694 120.618 121.300 0.019 0.000 5.121 165 W HA -0.199 4.461 4.660 0.000 0.000 0.372 165 W C 1.083 177.613 176.519 0.019 0.000 1.394 165 W CA -0.048 57.311 57.345 0.023 0.000 0.885 165 W CB -2.793 26.682 29.460 0.025 0.000 2.520 165 W HN 0.158 nan 8.180 nan 0.000 1.455 166 E N 0.601 120.902 120.200 0.167 0.000 2.033 166 E HA -0.282 4.068 4.350 0.000 0.000 0.199 166 E C 1.929 178.598 176.600 0.114 0.000 1.011 166 E CA 1.639 58.101 56.400 0.103 0.000 0.815 166 E CB -0.257 29.474 29.700 0.051 0.000 0.755 166 E HN 0.356 nan 8.360 nan 0.000 0.451 167 Q N 0.025 119.902 119.800 0.128 0.000 2.365 167 Q HA 0.198 4.538 4.340 0.000 0.000 0.203 167 Q C 0.727 176.793 176.000 0.110 0.000 0.929 167 Q CA 0.650 56.515 55.803 0.103 0.000 0.948 167 Q CB 1.088 29.881 28.738 0.092 0.000 1.043 167 Q HN 0.302 nan 8.270 nan 0.000 0.505 168 G N 0.760 109.652 108.800 0.153 0.000 2.631 168 G HA2 -0.193 3.767 3.960 0.000 0.000 0.504 168 G HA3 -0.193 3.767 3.960 0.000 0.000 0.504 168 G C -0.060 174.894 174.900 0.090 0.000 1.306 168 G CA -0.659 44.503 45.100 0.103 0.000 0.897 168 G HN 0.485 nan 8.290 nan 0.000 0.520 169 C N -2.555 116.716 119.300 -0.049 0.000 2.711 169 C HA 0.838 5.298 4.460 0.000 0.000 0.410 169 C C 1.626 176.597 174.990 -0.031 0.000 1.553 169 C CA 0.009 58.938 59.018 -0.148 0.000 1.759 169 C CB 0.637 28.132 27.740 -0.409 0.000 2.077 169 C HN 1.200 nan 8.230 nan 0.000 0.483 170 Y N 0.612 120.851 120.300 -0.101 0.000 2.242 170 Y HA 0.065 4.615 4.550 0.000 0.000 0.291 170 Y C 2.828 178.743 175.900 0.025 0.000 1.137 170 Y CA 1.833 59.924 58.100 -0.015 0.000 1.181 170 Y CB -0.265 38.185 38.460 -0.016 0.000 0.989 170 Y HN 0.581 nan 8.280 nan 0.000 0.527 171 R N -0.842 119.703 120.500 0.075 0.000 2.241 171 R HA -0.161 4.179 4.340 0.000 0.000 0.224 171 R C 2.062 178.337 176.300 -0.042 0.000 1.101 171 R CA 1.054 57.178 56.100 0.040 0.000 0.995 171 R CB -0.886 29.429 30.300 0.026 0.000 0.870 171 R HN 0.430 nan 8.270 nan 0.000 0.463 172 C N -0.025 119.234 119.300 -0.068 0.000 2.466 172 C HA -0.083 4.377 4.460 0.000 0.000 0.278 172 C C 2.522 177.463 174.990 -0.082 0.000 1.288 172 C CA 0.245 59.225 59.018 -0.064 0.000 1.722 172 C CB -0.784 26.928 27.740 -0.045 0.000 2.017 172 C HN 0.399 nan 8.230 nan 0.000 0.488 173 L N -1.489 119.652 121.223 -0.136 0.000 2.179 173 L HA 0.172 4.513 4.340 0.000 0.000 0.208 173 L C 0.676 177.526 176.870 -0.033 0.000 1.096 173 L CA 1.440 56.200 54.840 -0.133 0.000 0.779 173 L CB -0.182 41.727 42.059 -0.250 0.000 0.922 173 L HN 0.578 nan 8.230 nan 0.000 0.443 174 W N 0.180 121.283 121.300 -0.330 0.000 2.591 174 W HA 0.269 4.929 4.660 0.000 0.000 0.311 174 W C -2.295 174.175 176.519 -0.082 0.000 1.003 174 W CA -1.590 55.641 57.345 -0.190 0.000 1.332 174 W CB 1.499 30.839 29.460 -0.200 0.000 1.272 174 W HN -0.060 nan 8.180 nan 0.000 0.412 175 P HA -0.172 nan 4.420 nan 0.000 0.212 175 P C 0.481 177.673 177.300 -0.180 0.000 1.180 175 P CA 1.561 64.522 63.100 -0.231 0.000 0.906 175 P CB 0.250 31.783 31.700 -0.278 0.000 0.782 176 D N -1.578 118.600 120.400 -0.371 0.000 2.307 176 D HA -0.099 4.541 4.640 0.000 0.000 0.234 176 D C 1.040 177.448 176.300 0.180 0.000 1.308 176 D CA 0.669 54.598 54.000 -0.118 0.000 0.886 176 D CB 0.014 40.723 40.800 -0.152 0.000 1.202 176 D HN -0.109 nan 8.370 nan 0.000 0.479 177 N N -0.045 118.774 118.700 0.199 0.000 2.171 177 N HA 0.018 4.758 4.740 0.000 0.000 0.212 177 N C -0.635 175.007 175.510 0.220 0.000 1.184 177 N CA 0.051 53.228 53.050 0.212 0.000 0.888 177 N CB 0.456 39.011 38.487 0.114 0.000 1.038 177 N HN 0.428 nan 8.380 nan 0.000 0.517 178 Q N 0.385 120.353 119.800 0.279 0.000 2.241 178 Q HA 0.262 4.602 4.340 0.000 0.000 0.262 178 Q C -0.497 175.668 176.000 0.274 0.000 1.014 178 Q CA -0.736 55.200 55.803 0.221 0.000 0.885 178 Q CB 1.464 30.301 28.738 0.165 0.000 1.311 178 Q HN 0.092 nan 8.270 nan 0.000 0.461 179 E N 2.423 122.701 120.200 0.129 0.000 2.398 179 E HA 0.131 4.481 4.350 0.000 0.000 0.263 179 E C -2.033 174.631 176.600 0.106 0.000 1.046 179 E CA -1.280 55.140 56.400 0.033 0.000 0.908 179 E CB -0.006 29.693 29.700 -0.002 0.000 0.963 179 E HN 0.393 nan 8.360 nan 0.000 0.431 180 P HA 0.071 nan 4.420 nan 0.000 0.277 180 P C 0.201 177.551 177.300 0.082 0.000 1.276 180 P CA -0.244 62.914 63.100 0.098 0.000 0.788 180 P CB 0.645 32.223 31.700 -0.204 0.000 1.114 181 E N -0.386 119.882 120.200 0.113 0.000 2.453 181 E HA -0.153 4.197 4.350 0.000 0.000 0.207 181 E C 1.155 177.775 176.600 0.032 0.000 1.212 181 E CA 0.327 56.769 56.400 0.070 0.000 0.959 181 E CB -0.855 28.889 29.700 0.073 0.000 0.957 181 E HN 0.268 nan 8.360 nan 0.000 0.540 182 R N -0.944 119.562 120.500 0.010 0.000 2.721 182 R HA 0.215 4.555 4.340 0.000 0.000 0.296 182 R C 0.553 176.852 176.300 -0.002 0.000 1.174 182 R CA -0.268 55.829 56.100 -0.004 0.000 1.129 182 R CB 0.060 30.345 30.300 -0.027 0.000 1.316 182 R HN -0.001 nan 8.270 nan 0.000 0.571 183 N N 0.976 119.681 118.700 0.009 0.000 2.080 183 N HA -0.131 4.609 4.740 0.000 0.000 0.189 183 N C 1.375 176.889 175.510 0.008 0.000 1.036 183 N CA 1.497 54.552 53.050 0.009 0.000 0.846 183 N CB -0.390 38.108 38.487 0.018 0.000 1.015 183 N HN 0.267 nan 8.380 nan 0.000 0.423 184 C N 1.647 120.952 119.300 0.010 0.000 2.403 184 C HA -0.023 4.437 4.460 0.000 0.000 0.277 184 C C 1.098 176.092 174.990 0.008 0.000 1.248 184 C CA -0.220 58.803 59.018 0.008 0.000 1.762 184 C CB -0.968 26.776 27.740 0.008 0.000 2.014 184 C HN 0.310 nan 8.230 nan 0.000 0.486 185 R N 2.404 122.908 120.500 0.007 0.000 3.236 185 R HA -0.040 4.300 4.340 0.000 0.000 0.350 185 R C 0.330 176.637 176.300 0.012 0.000 0.770 185 R CA 0.645 56.751 56.100 0.009 0.000 1.049 185 R CB -1.095 29.207 30.300 0.004 0.000 0.909 185 R HN 0.547 nan 8.270 nan 0.000 0.381 186 T N 2.427 116.992 114.554 0.019 0.000 2.481 186 T HA -0.199 4.151 4.350 0.000 0.000 0.199 186 T C 1.458 176.165 174.700 0.011 0.000 1.014 186 T CA 0.871 62.982 62.100 0.019 0.000 1.179 186 T CB 0.242 69.131 68.868 0.034 0.000 0.990 186 T HN 0.604 nan 8.240 nan 0.000 0.431 187 A N 3.467 126.291 122.820 0.006 0.000 2.259 187 A HA 0.279 4.599 4.320 0.000 0.000 0.212 187 A C 1.451 179.035 177.584 -0.001 0.000 1.178 187 A CA 0.756 52.794 52.037 0.001 0.000 0.734 187 A CB -0.507 18.492 19.000 -0.001 0.000 0.774 187 A HN 1.002 nan 8.150 nan 0.000 0.481 188 G N -1.259 107.542 108.800 0.003 0.000 2.504 188 G HA2 0.509 4.469 3.960 0.000 0.000 0.288 188 G HA3 0.509 4.469 3.960 0.000 0.000 0.288 188 G C -0.647 174.239 174.900 -0.024 0.000 1.182 188 G CA 0.231 45.327 45.100 -0.006 0.000 0.894 188 G HN 0.728 nan 8.290 nan 0.000 0.521 189 V N -0.679 119.201 119.914 -0.056 0.000 2.969 189 V HA 0.405 4.525 4.120 0.000 0.000 0.304 189 V C -0.178 175.817 176.094 -0.166 0.000 1.192 189 V CA -1.046 61.195 62.300 -0.098 0.000 0.962 189 V CB 1.258 33.045 31.823 -0.061 0.000 1.045 189 V HN 0.606 nan 8.190 nan 0.000 0.428 190 V N 2.957 122.691 119.914 -0.301 0.000 2.583 190 V HA 0.399 4.519 4.120 0.000 0.000 0.287 190 V C 1.719 177.703 176.094 -0.182 0.000 1.051 190 V CA 1.116 63.202 62.300 -0.358 0.000 1.010 190 V CB 1.143 32.552 31.823 -0.689 0.000 0.988 190 V HN 1.163 nan 8.190 nan 0.000 0.478 191 G N 5.748 114.477 108.800 -0.119 0.000 2.480 191 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 191 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 191 G C -0.486 174.390 174.900 -0.039 0.000 1.200 191 G CA 1.038 46.103 45.100 -0.059 0.000 0.782 191 G HN 0.710 nan 8.290 nan 0.000 0.554 192 P HA -0.041 nan 4.420 nan 0.000 0.218 192 P C 2.053 179.375 177.300 0.036 0.000 1.148 192 P CA 0.695 63.799 63.100 0.007 0.000 0.822 192 P CB -0.048 31.665 31.700 0.022 0.000 0.784 193 V N -0.597 119.329 119.914 0.021 0.000 2.358 193 V HA -0.182 3.938 4.120 0.000 0.000 0.246 193 V C 2.364 178.497 176.094 0.065 0.000 1.047 193 V CA 1.828 64.191 62.300 0.104 0.000 1.035 193 V CB -1.125 30.706 31.823 0.013 0.000 0.658 193 V HN -0.007 nan 8.190 nan 0.000 0.452 194 V N 0.721 120.641 119.914 0.011 0.000 2.453 194 V HA -0.030 4.090 4.120 0.000 0.000 0.247 194 V C 2.607 178.709 176.094 0.013 0.000 1.048 194 V CA 1.767 64.074 62.300 0.011 0.000 1.049 194 V CB -1.642 30.178 31.823 -0.004 0.000 0.672 194 V HN 0.519 nan 8.190 nan 0.000 0.457 195 G N 0.426 109.231 108.800 0.008 0.000 2.453 195 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 195 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 195 G C 1.694 176.590 174.900 -0.008 0.000 1.201 195 G CA 1.225 46.328 45.100 0.006 0.000 0.784 195 G HN 0.313 nan 8.290 nan 0.000 0.545 196 V N 0.414 120.322 119.914 -0.009 0.000 2.317 196 V HA -0.283 3.837 4.120 0.000 0.000 0.251 196 V C 2.883 178.973 176.094 -0.007 0.000 1.065 196 V CA 2.441 64.720 62.300 -0.035 0.000 1.049 196 V CB -0.366 31.410 31.823 -0.080 0.000 0.651 196 V HN 0.335 nan 8.190 nan 0.000 0.450 197 M N 0.297 119.914 119.600 0.028 0.000 2.064 197 M HA 0.013 4.493 4.480 0.000 0.000 0.260 197 M C 2.161 178.471 176.300 0.017 0.000 1.073 197 M CA 2.102 57.434 55.300 0.054 0.000 1.124 197 M CB -1.458 31.181 32.600 0.065 0.000 1.326 197 M HN 0.316 nan 8.290 nan 0.000 0.410 198 G N -1.739 107.064 108.800 0.006 0.000 2.442 198 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 198 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 198 G C 1.497 176.381 174.900 -0.027 0.000 1.141 198 G CA 1.582 46.681 45.100 -0.001 0.000 0.763 198 G HN 0.466 nan 8.290 nan 0.000 0.554 199 T N 1.234 115.747 114.554 -0.068 0.000 2.674 199 T HA -0.041 4.309 4.350 0.000 0.000 0.265 199 T C 2.393 176.990 174.700 -0.171 0.000 1.039 199 T CA 0.875 62.862 62.100 -0.187 0.000 1.150 199 T CB -0.255 68.431 68.868 -0.303 0.000 0.864 199 T HN 0.146 nan 8.240 nan 0.000 0.427 200 L N 0.924 122.076 121.223 -0.119 0.000 2.127 200 L HA -0.176 4.164 4.340 0.000 0.000 0.211 200 L C 2.843 179.673 176.870 -0.066 0.000 1.089 200 L CA 1.319 56.097 54.840 -0.103 0.000 0.757 200 L CB -0.540 41.480 42.059 -0.065 0.000 0.899 200 L HN 0.389 nan 8.230 nan 0.000 0.434 201 Q N -0.749 119.029 119.800 -0.037 0.000 2.226 201 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 201 Q C 2.355 178.341 176.000 -0.023 0.000 0.975 201 Q CA 1.396 57.189 55.803 -0.016 0.000 0.866 201 Q CB -0.136 28.602 28.738 -0.001 0.000 0.915 201 Q HN 0.589 nan 8.270 nan 0.000 0.440 202 A N 0.734 123.532 122.820 -0.038 0.000 1.898 202 A HA -0.105 4.215 4.320 0.000 0.000 0.214 202 A C 1.996 179.552 177.584 -0.047 0.000 1.183 202 A CA 0.644 52.666 52.037 -0.024 0.000 0.622 202 A CB -0.420 18.583 19.000 0.004 0.000 0.824 202 A HN 0.324 nan 8.150 nan 0.000 0.444 203 L N 0.120 121.291 121.223 -0.087 0.000 2.042 203 L HA -0.140 4.200 4.340 0.000 0.000 0.210 203 L C 1.991 178.819 176.870 -0.069 0.000 1.076 203 L CA 2.319 57.103 54.840 -0.093 0.000 0.749 203 L CB -0.646 41.334 42.059 -0.131 0.000 0.893 203 L HN 0.355 nan 8.230 nan 0.000 0.432 204 E N -0.084 120.081 120.200 -0.058 0.000 2.208 204 E HA -0.075 4.275 4.350 0.000 0.000 0.193 204 E C 2.181 178.763 176.600 -0.030 0.000 0.988 204 E CA 1.109 57.484 56.400 -0.042 0.000 0.828 204 E CB -0.372 29.311 29.700 -0.027 0.000 0.763 204 E HN 0.642 nan 8.360 nan 0.000 0.478 205 A N 1.061 123.866 122.820 -0.026 0.000 1.929 205 A HA -0.063 4.257 4.320 0.000 0.000 0.216 205 A C 2.287 179.854 177.584 -0.029 0.000 1.176 205 A CA 0.621 52.646 52.037 -0.020 0.000 0.628 205 A CB -0.464 18.529 19.000 -0.011 0.000 0.816 205 A HN 0.133 nan 8.150 nan 0.000 0.444 206 I N -0.357 120.192 120.570 -0.036 0.000 2.179 206 I HA -0.272 3.898 4.170 0.000 0.000 0.242 206 I C 2.370 178.459 176.117 -0.047 0.000 1.088 206 I CA 1.566 62.840 61.300 -0.044 0.000 1.357 206 I CB -0.224 37.748 38.000 -0.046 0.000 1.051 206 I HN 0.286 nan 8.210 nan 0.000 0.409 207 K N 0.210 120.583 120.400 -0.046 0.000 2.148 207 K HA -0.149 4.171 4.320 0.000 0.000 0.204 207 K C 1.891 178.467 176.600 -0.039 0.000 1.050 207 K CA 1.029 57.289 56.287 -0.044 0.000 0.942 207 K CB -0.129 32.343 32.500 -0.046 0.000 0.724 207 K HN 0.152 nan 8.250 nan 0.000 0.446 208 L N 0.735 121.937 121.223 -0.035 0.000 2.552 208 L HA 0.009 4.349 4.340 0.000 0.000 0.227 208 L C 1.406 178.255 176.870 -0.035 0.000 1.146 208 L CA 1.021 55.842 54.840 -0.033 0.000 0.858 208 L CB 0.189 42.233 42.059 -0.024 0.000 0.969 208 L HN 0.108 nan 8.230 nan 0.000 0.451 209 L N -2.228 118.972 121.223 -0.037 0.000 2.577 209 L HA 0.140 4.480 4.340 0.000 0.000 0.225 209 L C 1.905 178.750 176.870 -0.042 0.000 1.053 209 L CA 0.737 55.554 54.840 -0.039 0.000 0.866 209 L CB -0.057 41.978 42.059 -0.040 0.000 1.132 209 L HN 0.277 nan 8.230 nan 0.000 0.486 210 S N -0.163 115.510 115.700 -0.046 0.000 2.634 210 S HA 0.158 4.628 4.470 0.000 0.000 0.221 210 S C 1.343 175.919 174.600 -0.040 0.000 0.952 210 S CA 0.267 58.439 58.200 -0.046 0.000 0.930 210 S CB -0.072 63.096 63.200 -0.053 0.000 0.780 210 S HN 0.447 nan 8.310 nan 0.000 0.498 211 G N 1.888 110.665 108.800 -0.038 0.000 2.356 211 G HA2 -0.207 3.753 3.960 0.000 0.000 0.296 211 G HA3 -0.207 3.753 3.960 0.000 0.000 0.296 211 G C -0.059 174.821 174.900 -0.035 0.000 1.022 211 G CA 0.145 45.224 45.100 -0.036 0.000 0.961 211 G HN 0.521 nan 8.290 nan 0.000 0.510 212 I N 0.409 120.957 120.570 -0.037 0.000 2.532 212 I HA 0.202 4.372 4.170 0.000 0.000 0.292 212 I C 1.096 177.192 176.117 -0.034 0.000 1.014 212 I CA -1.110 60.169 61.300 -0.036 0.000 1.340 212 I CB 1.067 39.043 38.000 -0.040 0.000 1.422 212 I HN 0.572 nan 8.210 nan 0.000 0.528 213 E N 3.804 123.985 120.200 -0.032 0.000 2.081 213 E HA 0.270 4.620 4.350 0.000 0.000 0.270 213 E C -0.800 175.781 176.600 -0.032 0.000 1.180 213 E CA -0.226 56.156 56.400 -0.030 0.000 0.926 213 E CB 0.107 29.791 29.700 -0.026 0.000 1.035 213 E HN 0.449 nan 8.360 nan 0.000 0.418 214 T N 3.501 118.036 114.554 -0.031 0.000 2.909 214 T HA 0.389 4.739 4.350 0.000 0.000 0.299 214 T C -2.246 172.440 174.700 -0.024 0.000 1.073 214 T CA -1.337 60.743 62.100 -0.033 0.000 0.999 214 T CB 1.581 70.426 68.868 -0.039 0.000 1.098 214 T HN 0.385 nan 8.240 nan 0.000 0.477 215 P HA 0.653 nan 4.420 nan 0.000 0.271 215 P C -1.106 176.194 177.300 0.000 0.000 1.244 215 P CA -0.383 62.711 63.100 -0.010 0.000 0.793 215 P CB 0.422 32.116 31.700 -0.010 0.000 0.984 216 A N -0.536 122.293 122.820 0.015 0.000 2.493 216 A HA 0.614 4.934 4.320 0.000 0.000 0.300 216 A C 0.379 177.993 177.584 0.050 0.000 1.152 216 A CA -0.133 51.924 52.037 0.034 0.000 0.643 216 A CB 0.503 19.521 19.000 0.030 0.000 1.316 216 A HN 0.962 nan 8.150 nan 0.000 0.469 217 G N -0.625 108.221 108.800 0.077 0.000 2.203 217 G HA2 -0.156 3.804 3.960 0.000 0.000 0.263 217 G HA3 -0.156 3.804 3.960 0.000 0.000 0.263 217 G C -0.055 174.887 174.900 0.071 0.000 1.012 217 G CA 1.044 46.195 45.100 0.085 0.000 0.749 217 G HN 0.841 nan 8.290 nan 0.000 0.512 218 E N -1.416 118.826 120.200 0.070 0.000 2.336 218 E HA 0.628 4.978 4.350 0.000 0.000 0.267 218 E C -0.969 175.679 176.600 0.081 0.000 0.906 218 E CA -1.203 55.237 56.400 0.067 0.000 0.781 218 E CB 1.972 31.706 29.700 0.056 0.000 1.261 218 E HN 0.184 nan 8.360 nan 0.000 0.436 219 L N 2.268 123.541 121.223 0.083 0.000 2.295 219 L HA 0.357 4.697 4.340 0.000 0.000 0.281 219 L C -0.783 176.157 176.870 0.117 0.000 1.018 219 L CA -0.137 54.761 54.840 0.097 0.000 0.841 219 L CB 0.691 42.798 42.059 0.080 0.000 1.218 219 L HN 0.350 nan 8.230 nan 0.000 0.424 220 R N 5.357 125.945 120.500 0.147 0.000 2.254 220 R HA 0.637 4.977 4.340 0.000 0.000 0.318 220 R C -1.183 175.271 176.300 0.256 0.000 1.031 220 R CA -0.559 55.671 56.100 0.217 0.000 0.905 220 R CB 1.012 31.453 30.300 0.234 0.000 1.050 220 R HN 0.627 nan 8.270 nan 0.000 0.456 221 L N 3.825 125.204 121.223 0.260 0.000 2.346 221 L HA 0.556 4.896 4.340 0.000 0.000 0.274 221 L C -0.809 176.126 176.870 0.109 0.000 1.007 221 L CA -0.928 54.008 54.840 0.159 0.000 0.818 221 L CB 1.434 43.541 42.059 0.079 0.000 1.284 221 L HN 0.454 nan 8.230 nan 0.000 0.424 222 F N 2.039 121.778 119.950 -0.352 0.000 2.540 222 F HA 0.440 4.967 4.527 0.000 0.000 0.317 222 F C -0.751 174.767 175.800 -0.469 0.000 1.104 222 F CA -0.979 56.509 58.000 -0.853 0.000 0.913 222 F CB 1.691 39.789 39.000 -1.504 0.000 1.170 222 F HN 0.351 nan 8.300 nan 0.000 0.450 223 D N 3.633 123.384 120.400 -1.081 0.000 2.464 223 D HA 0.283 4.923 4.640 0.000 0.000 0.243 223 D C 1.063 176.637 176.300 -1.211 0.000 1.104 223 D CA -0.113 53.392 54.000 -0.825 0.000 0.883 223 D CB 1.392 41.941 40.800 -0.419 0.000 1.050 223 D HN 0.786 nan 8.370 nan 0.000 0.524 224 G N 3.353 111.452 108.800 -1.169 0.000 2.470 224 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 224 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 224 G C 1.321 176.159 174.900 -0.103 0.000 1.121 224 G CA 0.505 45.202 45.100 -0.672 0.000 0.766 224 G HN 0.468 nan 8.290 nan 0.000 0.553 225 K N 0.649 120.958 120.400 -0.152 0.000 2.167 225 K HA -0.032 4.288 4.320 0.000 0.000 0.203 225 K C 2.354 178.836 176.600 -0.198 0.000 1.052 225 K CA 1.430 57.556 56.287 -0.268 0.000 0.956 225 K CB 0.035 32.218 32.500 -0.528 0.000 0.735 225 K HN 0.439 nan 8.250 nan 0.000 0.451 226 S N -1.252 114.323 115.700 -0.209 0.000 2.523 226 S HA 0.115 4.585 4.470 0.000 0.000 0.217 226 S C 0.269 174.819 174.600 -0.083 0.000 0.996 226 S CA 0.019 58.141 58.200 -0.130 0.000 0.921 226 S CB 0.570 63.696 63.200 -0.122 0.000 0.829 226 S HN 0.156 nan 8.310 nan 0.000 0.495 227 S N 1.415 117.029 115.700 -0.143 0.000 3.749 227 S HA -0.103 4.367 4.470 0.000 0.000 0.348 227 S C -0.534 174.144 174.600 0.129 0.000 1.045 227 S CA 0.524 58.748 58.200 0.041 0.000 1.051 227 S CB -1.333 61.951 63.200 0.140 0.000 0.898 227 S HN 0.687 nan 8.310 nan 0.000 0.472 228 Q N -0.802 118.976 119.800 -0.036 0.000 2.394 228 Q HA 0.677 5.017 4.340 0.000 0.000 0.273 228 Q C -0.466 175.570 176.000 0.059 0.000 1.089 228 Q CA -0.251 55.608 55.803 0.093 0.000 0.812 228 Q CB 1.191 29.949 28.738 0.033 0.000 1.353 228 Q HN 0.476 nan 8.270 nan 0.000 0.438 229 W N 1.838 123.246 121.300 0.180 0.000 2.706 229 W HA 0.670 5.330 4.660 0.000 0.000 0.346 229 W C 0.235 176.812 176.519 0.097 0.000 1.071 229 W CA -0.579 56.874 57.345 0.180 0.000 1.206 229 W CB 1.505 31.056 29.460 0.153 0.000 1.413 229 W HN 0.494 nan 8.180 nan 0.000 0.542 230 R N 0.191 120.892 120.500 0.335 0.000 2.710 230 R HA 0.840 5.180 4.340 0.000 0.000 0.270 230 R C -1.250 175.163 176.300 0.188 0.000 1.021 230 R CA -1.064 55.156 56.100 0.200 0.000 0.889 230 R CB 1.619 31.991 30.300 0.119 0.000 1.243 230 R HN 0.372 nan 8.270 nan 0.000 0.464 231 S N 1.203 116.982 115.700 0.132 0.000 2.541 231 S HA 0.664 5.134 4.470 0.000 0.000 0.280 231 S C -0.955 173.693 174.600 0.080 0.000 1.112 231 S CA -0.958 57.310 58.200 0.113 0.000 0.925 231 S CB 1.757 65.018 63.200 0.101 0.000 1.067 231 S HN 0.368 nan 8.310 nan 0.000 0.479 232 L N 1.864 123.131 121.223 0.073 0.000 2.334 232 L HA 0.827 5.167 4.340 0.000 0.000 0.272 232 L C 0.449 177.350 176.870 0.051 0.000 1.020 232 L CA -0.524 54.350 54.840 0.056 0.000 0.812 232 L CB 1.562 43.653 42.059 0.053 0.000 1.264 232 L HN 1.042 nan 8.230 nan 0.000 0.439 233 A N 3.318 126.163 122.820 0.042 0.000 2.327 233 A HA 0.694 5.014 4.320 0.000 0.000 0.283 233 A C -0.597 177.009 177.584 0.036 0.000 1.127 233 A CA -0.318 51.742 52.037 0.038 0.000 0.810 233 A CB 0.132 19.151 19.000 0.032 0.000 1.066 233 A HN 0.632 nan 8.150 nan 0.000 0.492 234 L N 1.825 123.072 121.223 0.040 0.000 2.334 234 L HA 0.802 5.142 4.340 0.000 0.000 0.272 234 L C 0.281 177.173 176.870 0.036 0.000 1.020 234 L CA -0.779 54.083 54.840 0.037 0.000 0.812 234 L CB 1.746 43.834 42.059 0.048 0.000 1.264 234 L HN 0.958 nan 8.230 nan 0.000 0.439 235 R N 1.272 121.789 120.500 0.028 0.000 2.792 235 R HA 0.303 4.643 4.340 0.000 0.000 0.285 235 R C -1.104 175.209 176.300 0.021 0.000 1.207 235 R CA -0.935 55.183 56.100 0.029 0.000 1.091 235 R CB 0.743 31.056 30.300 0.023 0.000 1.263 235 R HN 0.694 nan 8.270 nan 0.000 0.403 236 R N 1.987 122.506 120.500 0.031 0.000 2.644 236 R HA 0.209 4.549 4.340 0.000 0.000 0.265 236 R C -0.574 175.729 176.300 0.005 0.000 0.985 236 R CA 0.612 56.723 56.100 0.019 0.000 1.097 236 R CB 0.203 30.526 30.300 0.037 0.000 0.931 236 R HN 0.612 nan 8.270 nan 0.000 0.419 237 A N 2.394 125.209 122.820 -0.009 0.000 2.312 237 A HA 0.262 4.582 4.320 0.000 0.000 0.326 237 A C 0.018 177.595 177.584 -0.012 0.000 1.172 237 A CA -0.570 51.458 52.037 -0.015 0.000 0.821 237 A CB 1.476 20.457 19.000 -0.031 0.000 1.166 237 A HN 0.794 nan 8.150 nan 0.000 0.493 238 S N 1.509 117.203 115.700 -0.010 0.000 2.626 238 S HA 0.350 4.820 4.470 0.000 0.000 0.303 238 S C 1.229 175.822 174.600 -0.012 0.000 1.256 238 S CA 1.094 59.290 58.200 -0.007 0.000 1.069 238 S CB -0.547 62.648 63.200 -0.008 0.000 0.807 238 S HN 2.504 nan 8.310 nan 0.000 0.500 239 G N 3.820 112.615 108.800 -0.007 0.000 2.359 239 G HA2 -0.255 3.705 3.960 0.000 0.000 0.298 239 G HA3 -0.255 3.705 3.960 0.000 0.000 0.298 239 G C 0.336 175.226 174.900 -0.017 0.000 1.030 239 G CA 0.054 45.148 45.100 -0.010 0.000 1.149 239 G HN 1.251 nan 8.290 nan 0.000 0.512 240 C N 1.314 120.603 119.300 -0.019 0.000 2.593 240 C HA 0.561 5.021 4.460 0.000 0.000 0.409 240 C C 0.141 175.114 174.990 -0.028 0.000 1.304 240 C CA -1.427 57.574 59.018 -0.029 0.000 2.007 240 C CB 0.414 28.131 27.740 -0.037 0.000 2.614 240 C HN 0.461 nan 8.230 nan 0.000 0.585 241 P HA -0.042 nan 4.420 nan 0.000 0.240 241 P C 0.702 177.985 177.300 -0.029 0.000 1.186 241 P CA 0.983 64.069 63.100 -0.023 0.000 0.755 241 P CB 0.043 31.731 31.700 -0.020 0.000 0.870 242 V N -1.625 118.263 119.914 -0.044 0.000 5.291 242 V HA -0.052 4.068 4.120 0.000 0.000 0.121 242 V C 2.124 178.174 176.094 -0.074 0.000 1.045 242 V CA 0.571 62.831 62.300 -0.067 0.000 1.244 242 V CB -0.827 30.930 31.823 -0.109 0.000 1.865 242 V HN 0.156 nan 8.190 nan 0.000 0.566 243 C N 2.879 122.103 119.300 -0.126 0.000 2.485 243 C HA 0.304 4.764 4.460 0.000 0.000 0.283 243 C C 1.646 176.636 174.990 -0.000 0.000 1.478 243 C CA -0.514 58.448 59.018 -0.093 0.000 1.741 243 C CB -2.281 25.354 27.740 -0.175 0.000 1.675 243 C HN 0.599 nan 8.230 nan 0.000 0.573 244 G N 0.000 108.794 108.800 -0.010 0.000 5.446 244 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 244 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 244 G CA 0.000 45.104 45.100 0.007 0.000 0.502 244 G HN 0.000 nan 8.290 nan 0.000 0.925