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 2jla_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTPLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGXFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLYGEXDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRXSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAXQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG GQIFSLLPTP QSERERFYLX PQNVHFEHAA DATA SEQUENCE AXFELKYHRP QNWQELETAF ADAWRTPTTT VIEXVVNDTD GAQTLQQLLA DATA SEQUENCE QVSHL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.622 174.600 0.037 0.000 1.055 2 S CA 0.000 58.209 58.200 0.015 0.000 1.107 2 S CB 0.000 63.219 63.200 0.032 0.000 0.593 3 V N 3.956 123.880 119.914 0.018 0.000 2.287 3 V HA -0.129 3.991 4.120 0.001 0.000 0.248 3 V C 2.719 178.846 176.094 0.055 0.000 1.053 3 V CA 2.550 64.872 62.300 0.038 0.000 1.027 3 V CB -1.128 30.696 31.823 0.002 0.000 0.646 3 V HN 0.901 nan 8.190 nan 0.000 0.447 4 S N 0.020 115.732 115.700 0.019 0.000 2.414 4 S HA -0.362 4.108 4.470 0.001 0.000 0.238 4 S C 2.126 176.733 174.600 0.011 0.000 1.055 4 S CA 2.454 60.650 58.200 -0.007 0.000 1.174 4 S CB -0.585 62.618 63.200 0.004 0.000 1.087 4 S HN 0.691 nan 8.310 nan 0.000 0.428 5 A N -0.209 122.642 122.820 0.051 0.000 1.933 5 A HA -0.005 4.316 4.320 0.001 0.000 0.218 5 A C 2.025 179.681 177.584 0.119 0.000 1.175 5 A CA 1.716 53.796 52.037 0.072 0.000 0.628 5 A CB -0.946 18.104 19.000 0.082 0.000 0.814 5 A HN 0.665 nan 8.150 nan 0.000 0.444 6 F N 1.399 121.342 119.950 -0.012 0.000 2.186 6 F HA -0.123 4.405 4.527 0.001 0.000 0.299 6 F C 1.939 177.765 175.800 0.044 0.000 1.090 6 F CA 1.513 59.503 58.000 -0.017 0.000 1.307 6 F CB -0.270 38.663 39.000 -0.113 0.000 1.019 6 F HN 0.203 nan 8.300 nan 0.000 0.489 7 N N 0.581 119.285 118.700 0.005 0.000 2.137 7 N HA -0.200 4.541 4.740 0.001 0.000 0.190 7 N C 1.939 177.416 175.510 -0.055 0.000 1.017 7 N CA 1.491 54.528 53.050 -0.021 0.000 0.859 7 N CB -0.378 38.041 38.487 -0.113 0.000 1.002 7 N HN 0.378 nan 8.380 nan 0.000 0.428 8 R N 0.139 120.601 120.500 -0.064 0.000 2.075 8 R HA 0.106 4.447 4.340 0.001 0.000 0.226 8 R C 2.196 178.528 176.300 0.054 0.000 1.114 8 R CA 0.486 56.570 56.100 -0.028 0.000 0.972 8 R CB -0.099 30.186 30.300 -0.026 0.000 0.869 8 R HN 0.071 nan 8.270 nan 0.000 0.437 9 R N 0.629 121.148 120.500 0.032 0.000 2.080 9 R HA -0.177 4.164 4.340 0.001 0.000 0.236 9 R C 1.928 178.361 176.300 0.223 0.000 1.137 9 R CA 1.797 57.966 56.100 0.115 0.000 0.943 9 R CB -0.640 29.726 30.300 0.110 0.000 0.846 9 R HN 0.395 nan 8.270 nan 0.000 0.431 10 W N 0.742 121.891 121.300 -0.251 0.000 2.318 10 W HA -0.265 4.396 4.660 0.001 0.000 0.313 10 W C 1.821 178.445 176.519 0.175 0.000 1.221 10 W CA 2.056 59.361 57.345 -0.066 0.000 1.266 10 W CB -0.454 28.823 29.460 -0.305 0.000 1.150 10 W HN 0.251 nan 8.180 nan 0.000 0.496 11 A N 0.721 123.794 122.820 0.422 0.000 1.902 11 A HA -0.073 4.247 4.320 0.001 0.000 0.217 11 A C 2.158 179.888 177.584 0.243 0.000 1.181 11 A CA 2.693 54.936 52.037 0.344 0.000 0.623 11 A CB -1.346 17.777 19.000 0.205 0.000 0.818 11 A HN 0.322 nan 8.150 nan 0.000 0.443 12 A N -0.609 122.355 122.820 0.241 0.000 1.972 12 A HA 0.048 4.368 4.320 0.001 0.000 0.219 12 A C 2.184 179.992 177.584 0.372 0.000 1.169 12 A CA 1.613 53.821 52.037 0.286 0.000 0.635 12 A CB -0.798 18.352 19.000 0.251 0.000 0.810 12 A HN 0.362 nan 8.150 nan 0.000 0.446 13 V N 0.281 120.398 119.914 0.337 0.000 2.295 13 V HA -0.296 3.825 4.120 0.001 0.000 0.246 13 V C 2.410 178.543 176.094 0.064 0.000 1.049 13 V CA 2.144 64.556 62.300 0.186 0.000 1.024 13 V CB -0.699 31.122 31.823 -0.002 0.000 0.648 13 V HN 0.595 nan 8.190 nan 0.000 0.447 14 I N -0.592 120.002 120.570 0.040 0.000 2.099 14 I HA -0.280 3.891 4.170 0.001 0.000 0.239 14 I C 2.348 178.551 176.117 0.143 0.000 1.066 14 I CA 1.746 63.066 61.300 0.034 0.000 1.324 14 I CB -0.411 37.624 38.000 0.057 0.000 1.037 14 I HN 0.225 nan 8.210 nan 0.000 0.401 15 L N 0.283 121.641 121.223 0.224 0.000 2.083 15 L HA -0.211 4.129 4.340 0.001 0.000 0.209 15 L C 2.580 179.687 176.870 0.394 0.000 1.083 15 L CA 1.311 56.356 54.840 0.341 0.000 0.752 15 L CB -0.479 41.826 42.059 0.410 0.000 0.899 15 L HN 0.205 nan 8.230 nan 0.000 0.433 16 E N 0.275 120.657 120.200 0.304 0.000 2.077 16 E HA -0.212 4.138 4.350 0.001 0.000 0.193 16 E C 2.153 178.884 176.600 0.218 0.000 0.989 16 E CA 1.524 58.059 56.400 0.225 0.000 0.800 16 E CB -0.173 29.708 29.700 0.303 0.000 0.746 16 E HN 0.381 nan 8.360 nan 0.000 0.452 17 A N 0.732 123.724 122.820 0.287 0.000 1.902 17 A HA -0.138 4.183 4.320 0.001 0.000 0.217 17 A C 2.341 180.114 177.584 0.314 0.000 1.181 17 A CA 1.473 53.697 52.037 0.310 0.000 0.623 17 A CB -0.805 18.278 19.000 0.138 0.000 0.818 17 A HN 0.349 nan 8.150 nan 0.000 0.443 18 L N -0.856 120.528 121.223 0.268 0.000 2.043 18 L HA -0.230 4.110 4.340 0.001 0.000 0.212 18 L C 2.751 179.810 176.870 0.316 0.000 1.075 18 L CA 1.974 56.983 54.840 0.281 0.000 0.752 18 L CB -1.377 40.816 42.059 0.222 0.000 0.891 18 L HN 0.354 nan 8.230 nan 0.000 0.432 19 T N -0.400 114.319 114.554 0.274 0.000 2.714 19 T HA -0.195 4.156 4.350 0.001 0.000 0.268 19 T C 1.755 176.476 174.700 0.035 0.000 1.036 19 T CA 1.296 63.465 62.100 0.116 0.000 1.148 19 T CB -0.146 68.686 68.868 -0.059 0.000 0.856 19 T HN 0.244 nan 8.240 nan 0.000 0.462 20 R N 0.614 121.123 120.500 0.015 0.000 2.323 20 R HA 0.079 4.419 4.340 0.001 0.000 0.198 20 R C 0.682 176.800 176.300 -0.303 0.000 0.988 20 R CA 0.510 56.517 56.100 -0.154 0.000 1.041 20 R CB -0.281 29.915 30.300 -0.174 0.000 0.926 20 R HN 0.612 nan 8.270 nan 0.000 0.476 21 H N -0.883 118.210 119.070 0.039 0.000 2.567 21 H HA 0.195 4.752 4.556 0.001 0.000 0.267 21 H C 0.722 176.066 175.328 0.027 0.000 1.148 21 H CA 0.337 56.403 56.048 0.030 0.000 1.031 21 H CB 1.026 30.808 29.762 0.033 0.000 1.691 21 H HN 0.324 nan 8.280 nan 0.000 0.588 22 G N 1.482 110.340 108.800 0.096 0.000 2.153 22 G HA2 -0.298 3.662 3.960 0.001 0.000 0.252 22 G HA3 -0.298 3.662 3.960 0.001 0.000 0.252 22 G C 0.335 175.289 174.900 0.091 0.000 0.994 22 G CA 0.344 45.483 45.100 0.066 0.000 0.698 22 G HN 0.231 nan 8.290 nan 0.000 0.521 23 V N 1.042 121.042 119.914 0.144 0.000 2.421 23 V HA 0.354 4.475 4.120 0.001 0.000 0.271 23 V C 1.536 177.759 176.094 0.215 0.000 1.031 23 V CA 1.229 63.623 62.300 0.156 0.000 1.032 23 V CB 0.852 32.776 31.823 0.169 0.000 1.009 23 V HN 0.715 nan 8.190 nan 0.000 0.477 24 R N 3.354 123.926 120.500 0.121 0.000 2.383 24 R HA 0.209 4.550 4.340 0.001 0.000 0.205 24 R C 0.497 176.824 176.300 0.045 0.000 0.875 24 R CA -0.356 55.811 56.100 0.111 0.000 1.039 24 R CB 0.252 30.520 30.300 -0.053 0.000 1.267 24 R HN 0.621 nan 8.270 nan 0.000 0.635 25 H N 1.098 120.231 119.070 0.106 0.000 2.582 25 H HA 0.353 4.909 4.556 0.001 0.000 0.345 25 H C -0.693 174.626 175.328 -0.015 0.000 1.104 25 H CA -0.063 56.046 56.048 0.102 0.000 1.390 25 H CB 1.743 31.572 29.762 0.112 0.000 1.461 25 H HN 0.171 nan 8.280 nan 0.000 0.551 26 I N 2.046 122.690 120.570 0.122 0.000 2.619 26 I HA 0.214 4.385 4.170 0.001 0.000 0.292 26 I C -1.023 175.159 176.117 0.109 0.000 1.100 26 I CA -0.382 60.886 61.300 -0.053 0.000 1.043 26 I CB 1.149 38.924 38.000 -0.375 0.000 1.239 26 I HN 0.492 nan 8.210 nan 0.000 0.420 27 C N 7.756 127.094 119.300 0.063 0.000 2.301 27 C HA 0.609 5.069 4.460 0.001 0.000 0.323 27 C C -0.103 174.940 174.990 0.088 0.000 1.265 27 C CA -0.689 58.389 59.018 0.100 0.000 1.503 27 C CB -0.271 27.493 27.740 0.039 0.000 2.195 27 C HN 0.452 nan 8.230 nan 0.000 0.477 28 I N 3.184 123.827 120.570 0.121 0.000 2.404 28 I HA 0.624 4.795 4.170 0.001 0.000 0.293 28 I C 0.457 176.640 176.117 0.111 0.000 0.992 28 I CA -0.074 61.292 61.300 0.109 0.000 1.149 28 I CB 1.353 39.423 38.000 0.117 0.000 1.315 28 I HN 0.704 nan 8.210 nan 0.000 0.446 29 A N 7.392 130.270 122.820 0.097 0.000 2.320 29 A HA 0.887 5.207 4.320 0.001 0.000 0.334 29 A C -2.589 175.051 177.584 0.093 0.000 1.147 29 A CA -1.611 50.482 52.037 0.093 0.000 0.820 29 A CB 0.480 19.529 19.000 0.081 0.000 1.218 29 A HN 0.432 nan 8.150 nan 0.000 0.482 30 P HA 0.563 nan 4.420 nan 0.000 0.274 30 P C 0.150 177.501 177.300 0.085 0.000 1.231 30 P CA 0.175 63.329 63.100 0.089 0.000 0.790 30 P CB 1.194 32.947 31.700 0.088 0.000 0.951 31 G N -0.842 108.010 108.800 0.086 0.000 2.340 31 G HA2 0.251 4.212 3.960 0.001 0.000 0.298 31 G HA3 0.251 4.212 3.960 0.001 0.000 0.298 31 G C 0.136 175.100 174.900 0.107 0.000 1.498 31 G CA -0.067 45.087 45.100 0.090 0.000 0.847 31 G HN 0.329 nan 8.290 nan 0.000 0.594 32 S N -1.083 114.687 115.700 0.117 0.000 2.398 32 S HA 0.014 4.484 4.470 0.001 0.000 0.220 32 S C 2.318 176.963 174.600 0.075 0.000 1.046 32 S CA 1.273 59.574 58.200 0.167 0.000 0.953 32 S CB -0.153 63.158 63.200 0.185 0.000 0.856 32 S HN 0.520 nan 8.310 nan 0.000 0.506 33 R N 2.073 122.614 120.500 0.068 0.000 2.159 33 R HA 0.021 4.361 4.340 0.001 0.000 0.237 33 R C 2.056 178.384 176.300 0.045 0.000 1.131 33 R CA 1.922 58.056 56.100 0.058 0.000 0.982 33 R CB -0.806 29.553 30.300 0.099 0.000 0.868 33 R HN 0.525 nan 8.270 nan 0.000 0.453 34 S N -2.114 113.615 115.700 0.049 0.000 2.593 34 S HA 0.018 4.489 4.470 0.001 0.000 0.217 34 S C 1.601 176.168 174.600 -0.056 0.000 0.966 34 S CA 0.505 58.731 58.200 0.043 0.000 0.914 34 S CB -0.094 63.158 63.200 0.086 0.000 0.776 34 S HN 0.178 nan 8.310 nan 0.000 0.523 35 T N 4.049 118.541 114.554 -0.103 0.000 2.594 35 T HA -0.132 4.219 4.350 0.001 0.000 0.266 35 T C -0.689 173.877 174.700 -0.223 0.000 1.070 35 T CA 2.365 64.374 62.100 -0.152 0.000 1.166 35 T CB -1.633 67.055 68.868 -0.300 0.000 0.862 35 T HN 0.417 nan 8.240 nan 0.000 0.436 36 P HA -0.034 nan 4.420 nan 0.000 0.216 36 P C 1.625 178.773 177.300 -0.254 0.000 1.153 36 P CA 1.065 63.873 63.100 -0.487 0.000 0.858 36 P CB -0.243 30.753 31.700 -1.174 0.000 0.789 37 L N -1.585 119.521 121.223 -0.195 0.000 2.027 37 L HA -0.127 4.213 4.340 0.001 0.000 0.206 37 L C 2.389 179.290 176.870 0.051 0.000 1.074 37 L CA 1.819 56.675 54.840 0.027 0.000 0.745 37 L CB -1.646 40.486 42.059 0.122 0.000 0.898 37 L HN 0.006 nan 8.230 nan 0.000 0.433 38 T N 0.324 114.894 114.554 0.027 0.000 2.746 38 T HA -0.128 4.223 4.350 0.001 0.000 0.267 38 T C 1.981 176.718 174.700 0.062 0.000 1.039 38 T CA 1.154 63.288 62.100 0.058 0.000 1.142 38 T CB -0.151 68.746 68.868 0.049 0.000 0.866 38 T HN 0.171 nan 8.240 nan 0.000 0.444 39 L N 0.541 121.780 121.223 0.026 0.000 2.072 39 L HA 0.016 4.357 4.340 0.001 0.000 0.205 39 L C 3.096 180.008 176.870 0.070 0.000 1.079 39 L CA 1.028 55.889 54.840 0.033 0.000 0.752 39 L CB -0.758 41.305 42.059 0.006 0.000 0.906 39 L HN 0.245 nan 8.230 nan 0.000 0.436 40 A N 0.427 123.295 122.820 0.080 0.000 1.883 40 A HA -0.226 4.095 4.320 0.001 0.000 0.217 40 A C 2.551 180.273 177.584 0.230 0.000 1.186 40 A CA 1.915 54.035 52.037 0.139 0.000 0.624 40 A CB -0.709 18.382 19.000 0.151 0.000 0.822 40 A HN 0.406 nan 8.150 nan 0.000 0.444 41 A N -0.186 122.793 122.820 0.265 0.000 1.883 41 A HA 0.096 4.416 4.320 0.001 0.000 0.217 41 A C 2.536 180.436 177.584 0.525 0.000 1.186 41 A CA 2.406 54.701 52.037 0.430 0.000 0.624 41 A CB -1.106 18.064 19.000 0.283 0.000 0.822 41 A HN 1.129 nan 8.150 nan 0.000 0.444 42 A N 0.708 123.676 122.820 0.247 0.000 1.877 42 A HA -0.187 4.133 4.320 0.001 0.000 0.216 42 A C 1.969 179.617 177.584 0.106 0.000 1.186 42 A CA 1.764 53.818 52.037 0.029 0.000 0.620 42 A CB -0.681 18.282 19.000 -0.062 0.000 0.822 42 A HN 0.794 nan 8.150 nan 0.000 0.443 43 E N -0.307 119.963 120.200 0.116 0.000 2.347 43 E HA -0.093 4.257 4.350 0.001 0.000 0.196 43 E C 0.594 177.250 176.600 0.094 0.000 1.008 43 E CA 0.320 56.771 56.400 0.084 0.000 0.852 43 E CB -0.364 29.371 29.700 0.059 0.000 0.783 43 E HN 0.444 nan 8.360 nan 0.000 0.505 44 N N 2.073 120.859 118.700 0.143 0.000 2.401 44 N HA -0.037 4.704 4.740 0.001 0.000 0.255 44 N C 0.403 175.883 175.510 -0.049 0.000 1.110 44 N CA 0.277 53.341 53.050 0.023 0.000 0.949 44 N CB 1.376 39.847 38.487 -0.027 0.000 1.110 44 N HN 0.182 nan 8.380 nan 0.000 0.490 45 S N 2.372 118.026 115.700 -0.078 0.000 2.607 45 S HA 0.022 4.493 4.470 0.001 0.000 0.224 45 S C 1.493 176.001 174.600 -0.154 0.000 0.969 45 S CA 0.335 58.500 58.200 -0.059 0.000 0.927 45 S CB -0.003 63.173 63.200 -0.040 0.000 0.772 45 S HN 0.535 nan 8.310 nan 0.000 0.533 46 A N 0.674 123.282 122.820 -0.353 0.000 2.021 46 A HA 0.385 4.705 4.320 0.001 0.000 0.216 46 A C 0.351 177.731 177.584 -0.339 0.000 1.163 46 A CA 0.151 51.940 52.037 -0.414 0.000 0.676 46 A CB -0.378 18.270 19.000 -0.587 0.000 0.818 46 A HN 0.503 nan 8.150 nan 0.000 0.453 47 F N 0.022 119.871 119.950 -0.167 0.000 2.396 47 F HA 0.460 4.988 4.527 0.001 0.000 0.343 47 F C 0.319 175.852 175.800 -0.445 0.000 1.104 47 F CA -1.572 56.230 58.000 -0.331 0.000 1.161 47 F CB 0.544 39.273 39.000 -0.452 0.000 1.146 47 F HN -0.064 nan 8.300 nan 0.000 0.522 48 I N 4.148 124.652 120.570 -0.109 0.000 2.322 48 I HA 0.118 4.288 4.170 0.001 0.000 0.292 48 I C -0.383 175.628 176.117 -0.175 0.000 1.060 48 I CA -0.360 60.871 61.300 -0.115 0.000 1.309 48 I CB -0.013 37.978 38.000 -0.014 0.000 1.415 48 I HN 0.499 nan 8.210 nan 0.000 0.492 49 H N 5.256 124.295 119.070 -0.052 0.000 2.548 49 H HA 0.412 4.969 4.556 0.001 0.000 0.331 49 H C -0.431 174.731 175.328 -0.277 0.000 1.093 49 H CA -0.176 55.838 56.048 -0.057 0.000 1.367 49 H CB 0.567 30.341 29.762 0.019 0.000 1.455 49 H HN 0.434 nan 8.280 nan 0.000 0.519 50 H N 1.286 120.460 119.070 0.174 0.000 2.637 50 H HA 0.385 4.942 4.556 0.001 0.000 0.363 50 H C -0.256 175.134 175.328 0.104 0.000 1.131 50 H CA -0.719 55.392 56.048 0.106 0.000 1.183 50 H CB 2.074 31.858 29.762 0.037 0.000 1.637 50 H HN 0.769 nan 8.280 nan 0.000 0.531 51 T N -0.287 114.395 114.554 0.212 0.000 2.900 51 T HA 0.498 4.849 4.350 0.001 0.000 0.295 51 T C -0.858 173.977 174.700 0.225 0.000 1.044 51 T CA -0.782 61.430 62.100 0.187 0.000 0.995 51 T CB 2.839 71.801 68.868 0.156 0.000 1.072 51 T HN 0.704 nan 8.240 nan 0.000 0.473 52 H N 0.674 119.775 119.070 0.052 0.000 3.017 52 H HA 0.525 5.081 4.556 0.001 0.000 0.346 52 H C -0.336 174.996 175.328 0.007 0.000 1.286 52 H CA -1.524 54.501 56.048 -0.040 0.000 1.120 52 H CB 1.247 30.907 29.762 -0.169 0.000 1.860 52 H HN 0.622 nan 8.280 nan 0.000 0.542 53 F N -1.052 118.566 119.950 -0.554 0.000 2.678 53 F HA 0.325 4.853 4.527 0.001 0.000 0.291 53 F C 0.278 175.884 175.800 -0.323 0.000 1.123 53 F CA -0.386 57.424 58.000 -0.317 0.000 1.395 53 F CB 0.435 39.308 39.000 -0.211 0.000 1.121 53 F HN 0.281 nan 8.300 nan 0.000 0.592 54 D N 1.654 121.396 120.400 -1.098 0.000 2.359 54 D HA 0.120 4.761 4.640 0.001 0.000 0.230 54 D C 0.584 176.845 176.300 -0.066 0.000 1.118 54 D CA 0.048 53.816 54.000 -0.385 0.000 0.844 54 D CB 1.454 42.051 40.800 -0.337 0.000 1.059 54 D HN 0.208 nan 8.370 nan 0.000 0.493 55 E N 2.372 122.584 120.200 0.020 0.000 2.150 55 E HA -0.123 4.228 4.350 0.001 0.000 0.193 55 E C 1.824 178.480 176.600 0.093 0.000 0.985 55 E CA 0.696 57.136 56.400 0.067 0.000 0.814 55 E CB 0.194 29.939 29.700 0.076 0.000 0.752 55 E HN 0.435 nan 8.360 nan 0.000 0.466 56 R N 0.107 120.677 120.500 0.116 0.000 2.081 56 R HA -0.104 4.237 4.340 0.001 0.000 0.235 56 R C 2.267 178.703 176.300 0.227 0.000 1.131 56 R CA 1.650 57.851 56.100 0.168 0.000 0.960 56 R CB -0.503 29.907 30.300 0.182 0.000 0.856 56 R HN 0.275 nan 8.270 nan 0.000 0.436 57 G N 1.224 110.119 108.800 0.159 0.000 2.422 57 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 57 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 57 G C 1.315 176.242 174.900 0.044 0.000 1.146 57 G CA 0.614 45.765 45.100 0.084 0.000 0.769 57 G HN 0.288 nan 8.290 nan 0.000 0.547 58 L N 1.483 122.774 121.223 0.113 0.000 1.970 58 L HA 0.068 4.409 4.340 0.001 0.000 0.212 58 L C 2.950 179.813 176.870 -0.011 0.000 1.071 58 L CA 2.476 57.346 54.840 0.049 0.000 0.751 58 L CB -1.042 41.065 42.059 0.081 0.000 0.889 58 L HN 0.198 nan 8.230 nan 0.000 0.432 59 G N -1.912 106.880 108.800 -0.013 0.000 2.529 59 G HA2 -0.378 3.582 3.960 0.001 0.000 0.219 59 G HA3 -0.378 3.582 3.960 0.001 0.000 0.219 59 G C 1.368 176.168 174.900 -0.167 0.000 1.177 59 G CA 1.415 46.451 45.100 -0.108 0.000 0.773 59 G HN 0.615 nan 8.290 nan 0.000 0.573 60 H N -0.735 118.278 119.070 -0.096 0.000 2.457 60 H HA 0.081 4.637 4.556 0.001 0.000 0.294 60 H C 2.247 177.472 175.328 -0.172 0.000 1.064 60 H CA 0.946 56.919 56.048 -0.124 0.000 1.330 60 H CB 0.027 29.714 29.762 -0.125 0.000 1.395 60 H HN 0.326 nan 8.280 nan 0.000 0.541 61 L N 0.373 121.545 121.223 -0.086 0.000 2.027 61 L HA -0.030 4.310 4.340 0.001 0.000 0.206 61 L C 2.328 179.066 176.870 -0.221 0.000 1.074 61 L CA 1.714 56.438 54.840 -0.192 0.000 0.745 61 L CB -0.812 41.116 42.059 -0.218 0.000 0.898 61 L HN 0.200 nan 8.230 nan 0.000 0.433 62 A N -0.397 122.319 122.820 -0.173 0.000 1.902 62 A HA -0.203 4.117 4.320 0.001 0.000 0.217 62 A C 2.267 179.760 177.584 -0.151 0.000 1.181 62 A CA 1.923 53.863 52.037 -0.163 0.000 0.623 62 A CB -1.085 17.847 19.000 -0.112 0.000 0.818 62 A HN 0.529 nan 8.150 nan 0.000 0.443 63 L N 0.178 121.316 121.223 -0.142 0.000 1.989 63 L HA -0.087 4.254 4.340 0.001 0.000 0.211 63 L C 2.446 179.247 176.870 -0.115 0.000 1.071 63 L CA 2.538 57.308 54.840 -0.118 0.000 0.749 63 L CB -1.119 40.870 42.059 -0.117 0.000 0.890 63 L HN 0.319 nan 8.230 nan 0.000 0.431 64 G N -0.258 108.455 108.800 -0.145 0.000 2.529 64 G HA2 -0.309 3.652 3.960 0.001 0.000 0.219 64 G HA3 -0.309 3.652 3.960 0.001 0.000 0.219 64 G C 1.589 176.347 174.900 -0.236 0.000 1.177 64 G CA 1.451 46.431 45.100 -0.201 0.000 0.773 64 G HN 0.468 nan 8.290 nan 0.000 0.573 65 L N 0.589 121.653 121.223 -0.264 0.000 2.017 65 L HA -0.041 4.300 4.340 0.001 0.000 0.208 65 L C 3.410 180.185 176.870 -0.158 0.000 1.073 65 L CA 1.150 55.817 54.840 -0.288 0.000 0.745 65 L CB -0.435 41.380 42.059 -0.406 0.000 0.894 65 L HN 0.311 nan 8.230 nan 0.000 0.432 66 A N -0.362 122.388 122.820 -0.117 0.000 1.969 66 A HA -0.205 4.115 4.320 0.001 0.000 0.218 66 A C 2.381 179.932 177.584 -0.056 0.000 1.169 66 A CA 1.564 53.564 52.037 -0.062 0.000 0.635 66 A CB -0.364 18.602 19.000 -0.056 0.000 0.810 66 A HN 0.310 nan 8.150 nan 0.000 0.445 67 K N -0.285 120.068 120.400 -0.078 0.000 1.985 67 K HA -0.112 4.208 4.320 0.001 0.000 0.210 67 K C 1.873 178.436 176.600 -0.061 0.000 1.047 67 K CA 1.883 58.141 56.287 -0.047 0.000 0.932 67 K CB -0.309 32.160 32.500 -0.052 0.000 0.716 67 K HN 0.219 nan 8.250 nan 0.000 0.439 68 V N 1.081 120.875 119.914 -0.199 0.000 2.283 68 V HA -0.215 3.906 4.120 0.001 0.000 0.243 68 V C 2.375 178.441 176.094 -0.046 0.000 1.039 68 V CA 2.152 64.324 62.300 -0.213 0.000 1.016 68 V CB -0.344 31.255 31.823 -0.373 0.000 0.650 68 V HN 0.589 nan 8.190 nan 0.000 0.449 69 S N -0.715 114.961 115.700 -0.040 0.000 2.481 69 S HA -0.168 4.303 4.470 0.001 0.000 0.231 69 S C 1.185 175.798 174.600 0.022 0.000 0.996 69 S CA 0.884 59.094 58.200 0.017 0.000 0.942 69 S CB -0.505 62.735 63.200 0.066 0.000 0.768 69 S HN 0.628 nan 8.310 nan 0.000 0.520 70 K N -0.102 120.304 120.400 0.011 0.000 2.960 70 K HA -0.155 4.166 4.320 0.001 0.000 0.259 70 K C -0.458 176.146 176.600 0.008 0.000 1.025 70 K CA 0.905 57.196 56.287 0.007 0.000 0.756 70 K CB -1.050 31.456 32.500 0.010 0.000 1.221 70 K HN 0.467 nan 8.250 nan 0.000 0.483 71 Q N -0.250 119.562 119.800 0.021 0.000 2.241 71 Q HA 0.403 4.743 4.340 0.001 0.000 0.262 71 Q C -2.408 173.608 176.000 0.027 0.000 1.014 71 Q CA -2.323 53.499 55.803 0.031 0.000 0.885 71 Q CB 0.994 29.762 28.738 0.049 0.000 1.311 71 Q HN -0.052 nan 8.270 nan 0.000 0.461 72 P HA 0.134 nan 4.420 nan 0.000 0.276 72 P C -0.708 176.612 177.300 0.032 0.000 1.230 72 P CA -0.065 63.048 63.100 0.021 0.000 0.776 72 P CB 0.678 32.393 31.700 0.026 0.000 0.888 73 V N 2.948 122.868 119.914 0.011 0.000 2.495 73 V HA 0.590 4.710 4.120 0.001 0.000 0.298 73 V C 0.533 176.613 176.094 -0.022 0.000 1.031 73 V CA -0.818 61.489 62.300 0.012 0.000 0.871 73 V CB 1.559 33.379 31.823 -0.005 0.000 0.988 73 V HN 0.720 nan 8.190 nan 0.000 0.432 74 A N 4.404 127.194 122.820 -0.050 0.000 2.279 74 A HA 0.884 5.205 4.320 0.001 0.000 0.303 74 A C -0.686 176.866 177.584 -0.054 0.000 1.108 74 A CA -0.481 51.511 52.037 -0.075 0.000 0.830 74 A CB 1.282 20.182 19.000 -0.166 0.000 1.106 74 A HN 0.739 nan 8.150 nan 0.000 0.493 75 V N 1.979 121.879 119.914 -0.024 0.000 2.686 75 V HA 0.398 4.519 4.120 0.001 0.000 0.306 75 V C -0.701 175.416 176.094 0.038 0.000 1.065 75 V CA -0.129 62.174 62.300 0.006 0.000 0.894 75 V CB 1.629 33.455 31.823 0.005 0.000 1.004 75 V HN 0.749 nan 8.190 nan 0.000 0.424 76 I N 5.192 125.793 120.570 0.053 0.000 2.404 76 I HA 0.745 4.916 4.170 0.001 0.000 0.293 76 I C -0.274 175.899 176.117 0.094 0.000 0.992 76 I CA -0.749 60.601 61.300 0.083 0.000 1.149 76 I CB 1.936 39.984 38.000 0.081 0.000 1.315 76 I HN 0.569 nan 8.210 nan 0.000 0.446 77 V N 1.442 121.424 119.914 0.113 0.000 3.167 77 V HA 0.642 4.763 4.120 0.001 0.000 0.310 77 V C -0.395 175.771 176.094 0.121 0.000 1.207 77 V CA -0.567 61.799 62.300 0.111 0.000 1.059 77 V CB 1.759 33.649 31.823 0.110 0.000 1.079 77 V HN 0.662 nan 8.190 nan 0.000 0.446 78 T N 0.785 115.404 114.554 0.108 0.000 2.897 78 T HA 0.554 4.904 4.350 0.001 0.000 0.278 78 T C 0.488 175.249 174.700 0.102 0.000 0.981 78 T CA 0.388 62.553 62.100 0.107 0.000 0.973 78 T CB 1.181 70.105 68.868 0.093 0.000 1.092 78 T HN 1.662 nan 8.240 nan 0.000 0.543 79 S N 0.532 116.288 115.700 0.094 0.000 2.596 79 S HA 0.602 5.073 4.470 0.001 0.000 0.260 79 S C 0.888 175.522 174.600 0.057 0.000 1.336 79 S CA 0.098 58.342 58.200 0.074 0.000 0.993 79 S CB -0.064 63.176 63.200 0.066 0.000 0.923 79 S HN 1.731 nan 8.310 nan 0.000 0.567 80 G N 0.765 109.586 108.800 0.037 0.000 2.545 80 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 80 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 80 G C 0.681 175.597 174.900 0.027 0.000 1.314 80 G CA 0.762 45.879 45.100 0.027 0.000 0.906 80 G HN 1.928 nan 8.290 nan 0.000 0.563 81 T N -1.063 113.511 114.554 0.033 0.000 2.929 81 T HA 0.194 4.545 4.350 0.001 0.000 0.271 81 T C 2.653 177.390 174.700 0.061 0.000 1.085 81 T CA 2.725 64.849 62.100 0.041 0.000 1.125 81 T CB -0.606 68.289 68.868 0.046 0.000 0.874 81 T HN 2.204 nan 8.240 nan 0.000 0.494 82 A N 1.529 124.389 122.820 0.067 0.000 1.929 82 A HA -0.133 4.188 4.320 0.001 0.000 0.221 82 A C 2.644 180.286 177.584 0.097 0.000 1.211 82 A CA 2.391 54.477 52.037 0.082 0.000 0.657 82 A CB -1.422 17.628 19.000 0.082 0.000 0.827 82 A HN 0.479 nan 8.150 nan 0.000 0.462 83 V N -0.439 119.531 119.914 0.093 0.000 2.295 83 V HA -0.230 3.891 4.120 0.001 0.000 0.246 83 V C 3.034 179.225 176.094 0.162 0.000 1.049 83 V CA 1.991 64.369 62.300 0.129 0.000 1.024 83 V CB -1.360 30.500 31.823 0.062 0.000 0.648 83 V HN 0.671 nan 8.190 nan 0.000 0.447 84 A N 0.029 122.891 122.820 0.070 0.000 2.024 84 A HA -0.250 4.071 4.320 0.001 0.000 0.220 84 A C 2.035 179.724 177.584 0.175 0.000 1.164 84 A CA 1.941 54.023 52.037 0.074 0.000 0.643 84 A CB -0.730 18.286 19.000 0.027 0.000 0.806 84 A HN 0.655 nan 8.150 nan 0.000 0.451 85 N N -0.303 118.488 118.700 0.152 0.000 2.459 85 N HA 0.006 4.746 4.740 0.001 0.000 0.181 85 N C 1.323 176.914 175.510 0.135 0.000 1.046 85 N CA 0.707 53.847 53.050 0.150 0.000 0.904 85 N CB -0.116 38.444 38.487 0.122 0.000 0.964 85 N HN 0.501 nan 8.380 nan 0.000 0.444 86 L N 0.067 121.360 121.223 0.118 0.000 2.465 86 L HA -0.117 4.223 4.340 0.001 0.000 0.224 86 L C 2.126 178.968 176.870 -0.048 0.000 1.145 86 L CA 0.334 55.170 54.840 -0.006 0.000 0.834 86 L CB -0.417 41.605 42.059 -0.061 0.000 0.944 86 L HN 0.130 nan 8.230 nan 0.000 0.451 87 Y N 1.587 121.847 120.300 -0.067 0.000 2.081 87 Y HA -0.175 4.376 4.550 0.001 0.000 0.280 87 Y C -0.057 175.736 175.900 -0.179 0.000 1.163 87 Y CA 1.071 59.104 58.100 -0.113 0.000 1.135 87 Y CB -1.745 36.763 38.460 0.079 0.000 0.970 87 Y HN 0.129 nan 8.280 nan 0.000 0.498 88 P HA -0.225 nan 4.420 nan 0.000 0.215 88 P C 1.574 178.719 177.300 -0.257 0.000 1.163 88 P CA 2.825 65.869 63.100 -0.092 0.000 0.894 88 P CB -0.302 31.463 31.700 0.108 0.000 0.791 89 A N -1.128 121.406 122.820 -0.476 0.000 1.933 89 A HA -0.177 4.143 4.320 0.001 0.000 0.218 89 A C 2.167 179.562 177.584 -0.315 0.000 1.175 89 A CA 1.440 53.122 52.037 -0.593 0.000 0.628 89 A CB -1.650 16.957 19.000 -0.656 0.000 0.814 89 A HN 0.148 nan 8.150 nan 0.000 0.444 90 L N -0.260 120.799 121.223 -0.273 0.000 2.046 90 L HA -0.103 4.237 4.340 0.001 0.000 0.208 90 L C 2.229 178.988 176.870 -0.185 0.000 1.077 90 L CA 1.710 56.408 54.840 -0.237 0.000 0.747 90 L CB -0.433 41.416 42.059 -0.350 0.000 0.896 90 L HN 0.407 nan 8.230 nan 0.000 0.432 91 I N -0.467 119.949 120.570 -0.257 0.000 2.163 91 I HA -0.309 3.862 4.170 0.001 0.000 0.243 91 I C 2.519 178.540 176.117 -0.159 0.000 1.085 91 I CA 1.552 62.670 61.300 -0.304 0.000 1.347 91 I CB -0.293 37.402 38.000 -0.508 0.000 1.044 91 I HN 0.341 nan 8.210 nan 0.000 0.408 92 E N 1.171 121.281 120.200 -0.151 0.000 2.033 92 E HA -0.263 4.087 4.350 0.001 0.000 0.199 92 E C 2.162 178.721 176.600 -0.069 0.000 1.011 92 E CA 1.984 58.329 56.400 -0.091 0.000 0.815 92 E CB -0.446 29.208 29.700 -0.076 0.000 0.755 92 E HN 0.416 nan 8.360 nan 0.000 0.451 93 A N 0.163 122.929 122.820 -0.091 0.000 1.927 93 A HA -0.169 4.152 4.320 0.001 0.000 0.220 93 A C 2.496 180.056 177.584 -0.040 0.000 1.185 93 A CA 2.195 54.191 52.037 -0.068 0.000 0.639 93 A CB -1.512 17.434 19.000 -0.090 0.000 0.820 93 A HN 0.442 nan 8.150 nan 0.000 0.451 94 G N -0.781 108.000 108.800 -0.032 0.000 2.448 94 G HA2 -0.084 3.877 3.960 0.001 0.000 0.219 94 G HA3 -0.084 3.877 3.960 0.001 0.000 0.219 94 G C 1.471 176.378 174.900 0.012 0.000 1.127 94 G CA 1.048 46.152 45.100 0.007 0.000 0.766 94 G HN 0.468 nan 8.290 nan 0.000 0.552 95 L N 0.365 121.588 121.223 -0.000 0.000 2.354 95 L HA 0.117 4.457 4.340 0.001 0.000 0.212 95 L C 2.736 179.607 176.870 0.000 0.000 1.091 95 L CA 1.488 56.330 54.840 0.003 0.000 0.828 95 L CB 0.161 42.216 42.059 -0.005 0.000 0.973 95 L HN 0.373 nan 8.230 nan 0.000 0.461 96 T N -5.742 108.809 114.554 -0.004 0.000 2.959 96 T HA 0.357 4.707 4.350 0.001 0.000 0.254 96 T C 1.312 176.012 174.700 0.000 0.000 1.003 96 T CA 0.505 62.605 62.100 0.000 0.000 0.950 96 T CB 1.222 70.092 68.868 0.004 0.000 1.090 96 T HN 0.289 nan 8.240 nan 0.000 0.503 97 G N 1.225 110.021 108.800 -0.007 0.000 2.201 97 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 97 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 97 G C -0.237 174.647 174.900 -0.027 0.000 0.994 97 G CA -0.303 44.790 45.100 -0.013 0.000 0.644 97 G HN 0.566 nan 8.290 nan 0.000 0.508 98 E N 1.076 121.260 120.200 -0.027 0.000 2.502 98 E HA 0.339 4.689 4.350 0.001 0.000 0.261 98 E C 0.467 177.042 176.600 -0.042 0.000 0.974 98 E CA 0.668 57.047 56.400 -0.036 0.000 0.936 98 E CB 0.377 30.050 29.700 -0.044 0.000 0.926 98 E HN 0.368 nan 8.360 nan 0.000 0.459 99 K N 3.241 123.619 120.400 -0.038 0.000 2.206 99 K HA 0.222 4.543 4.320 0.001 0.000 0.268 99 K C -0.642 175.937 176.600 -0.035 0.000 1.111 99 K CA -0.108 56.159 56.287 -0.034 0.000 0.955 99 K CB 0.231 32.715 32.500 -0.027 0.000 1.406 99 K HN 0.311 nan 8.250 nan 0.000 0.427 100 L N 4.849 126.045 121.223 -0.046 0.000 2.255 100 L HA 0.325 4.665 4.340 0.001 0.000 0.289 100 L C -0.147 176.705 176.870 -0.030 0.000 1.046 100 L CA -0.782 54.027 54.840 -0.052 0.000 0.816 100 L CB 0.639 42.646 42.059 -0.087 0.000 1.197 100 L HN 0.368 nan 8.230 nan 0.000 0.427 101 I N 5.737 126.296 120.570 -0.018 0.000 2.269 101 I HA 0.184 4.354 4.170 0.001 0.000 0.293 101 I C 0.200 176.331 176.117 0.024 0.000 1.106 101 I CA -0.231 61.071 61.300 0.004 0.000 1.248 101 I CB 0.567 38.563 38.000 -0.007 0.000 1.444 101 I HN 0.480 nan 8.210 nan 0.000 0.497 102 L N 7.009 128.271 121.223 0.065 0.000 2.334 102 L HA 0.303 4.643 4.340 0.001 0.000 0.286 102 L C 0.117 177.098 176.870 0.185 0.000 1.108 102 L CA -0.317 54.595 54.840 0.119 0.000 0.875 102 L CB -0.038 42.100 42.059 0.131 0.000 1.246 102 L HN 0.382 nan 8.230 nan 0.000 0.439 103 L N 3.952 125.254 121.223 0.132 0.000 2.334 103 L HA 0.207 4.548 4.340 0.001 0.000 0.286 103 L C 0.763 177.744 176.870 0.186 0.000 1.108 103 L CA -0.222 54.705 54.840 0.144 0.000 0.875 103 L CB 0.109 42.240 42.059 0.121 0.000 1.246 103 L HN 0.559 nan 8.230 nan 0.000 0.439 104 T N 0.243 114.934 114.554 0.230 0.000 2.733 104 T HA 0.679 5.029 4.350 0.001 0.000 0.294 104 T C 0.338 175.157 174.700 0.199 0.000 0.956 104 T CA -0.783 61.463 62.100 0.245 0.000 0.987 104 T CB 1.546 70.636 68.868 0.371 0.000 0.920 104 T HN 0.518 nan 8.240 nan 0.000 0.470 105 A N 3.138 126.081 122.820 0.205 0.000 2.445 105 A HA 0.555 4.876 4.320 0.001 0.000 0.242 105 A C 0.204 177.879 177.584 0.152 0.000 1.075 105 A CA -0.348 51.828 52.037 0.232 0.000 0.777 105 A CB 0.136 19.294 19.000 0.264 0.000 1.013 105 A HN 0.941 nan 8.150 nan 0.000 0.493 106 D N -0.409 120.064 120.400 0.121 0.000 2.661 106 D HA 0.373 5.013 4.640 0.001 0.000 0.228 106 D C -0.509 175.819 176.300 0.046 0.000 1.210 106 D CA -0.596 53.439 54.000 0.058 0.000 0.826 106 D CB 1.124 41.931 40.800 0.012 0.000 1.542 106 D HN 0.399 nan 8.370 nan 0.000 0.447 107 R N 1.740 122.259 120.500 0.031 0.000 2.694 107 R HA 0.331 4.671 4.340 0.001 0.000 0.268 107 R C -1.936 174.355 176.300 -0.016 0.000 1.061 107 R CA -1.168 54.943 56.100 0.019 0.000 1.133 107 R CB -0.369 29.940 30.300 0.014 0.000 1.020 107 R HN 0.402 nan 8.270 nan 0.000 0.475 108 P HA 0.087 nan 4.420 nan 0.000 0.272 108 P C -1.909 175.363 177.300 -0.047 0.000 1.240 108 P CA -1.251 61.814 63.100 -0.059 0.000 0.791 108 P CB 0.216 31.881 31.700 -0.059 0.000 0.978 109 P HA -0.192 nan 4.420 nan 0.000 0.216 109 P C 1.057 178.337 177.300 -0.034 0.000 1.150 109 P CA 1.743 64.817 63.100 -0.043 0.000 0.843 109 P CB -0.185 31.485 31.700 -0.049 0.000 0.787 110 E N -0.106 120.073 120.200 -0.035 0.000 2.273 110 E HA -0.123 4.228 4.350 0.001 0.000 0.198 110 E C 1.713 178.301 176.600 -0.019 0.000 1.002 110 E CA 0.824 57.207 56.400 -0.028 0.000 0.828 110 E CB -0.950 28.733 29.700 -0.029 0.000 0.747 110 E HN 0.327 nan 8.360 nan 0.000 0.491 111 L N 0.617 121.830 121.223 -0.017 0.000 2.667 111 L HA 0.176 4.517 4.340 0.001 0.000 0.232 111 L C -0.145 176.720 176.870 -0.008 0.000 1.138 111 L CA -0.431 54.404 54.840 -0.009 0.000 0.921 111 L CB 0.285 42.342 42.059 -0.004 0.000 1.180 111 L HN 0.077 nan 8.230 nan 0.000 0.487 112 I N -0.110 120.453 120.570 -0.012 0.000 2.428 112 I HA 0.167 4.338 4.170 0.001 0.000 0.296 112 I C 0.200 176.311 176.117 -0.011 0.000 0.985 112 I CA -0.488 60.805 61.300 -0.012 0.000 1.260 112 I CB 0.911 38.902 38.000 -0.015 0.000 1.389 112 I HN 0.123 nan 8.210 nan 0.000 0.484 113 D N 4.025 124.420 120.400 -0.009 0.000 2.697 113 D HA -0.195 4.446 4.640 0.001 0.000 0.235 113 D C 0.479 176.775 176.300 -0.006 0.000 1.167 113 D CA 0.830 54.825 54.000 -0.007 0.000 0.656 113 D CB -1.048 39.748 40.800 -0.008 0.000 1.025 113 D HN 0.864 nan 8.370 nan 0.000 0.419 114 C N -3.043 116.254 119.300 -0.005 0.000 3.680 114 C HA 0.649 5.110 4.460 0.001 0.000 0.301 114 C C 1.525 176.514 174.990 -0.002 0.000 2.566 114 C CA 0.234 59.250 59.018 -0.004 0.000 1.614 114 C CB 0.012 27.748 27.740 -0.006 0.000 3.388 114 C HN 0.874 nan 8.230 nan 0.000 0.384 115 G N 1.294 110.093 108.800 -0.001 0.000 2.168 115 G HA2 0.149 4.109 3.960 0.001 0.000 0.257 115 G HA3 0.149 4.109 3.960 0.001 0.000 0.257 115 G C 0.335 175.237 174.900 0.003 0.000 0.997 115 G CA 0.402 45.503 45.100 0.001 0.000 0.708 115 G HN 2.002 nan 8.290 nan 0.000 0.520 116 A N -0.011 122.811 122.820 0.003 0.000 2.409 116 A HA 0.542 4.863 4.320 0.001 0.000 0.262 116 A C 0.736 178.326 177.584 0.010 0.000 1.113 116 A CA -0.016 52.025 52.037 0.007 0.000 0.790 116 A CB 0.289 19.292 19.000 0.006 0.000 1.046 116 A HN 0.524 nan 8.150 nan 0.000 0.496 117 N N 1.680 120.388 118.700 0.013 0.000 2.454 117 N HA -0.036 4.705 4.740 0.001 0.000 0.260 117 N C 0.489 176.012 175.510 0.021 0.000 1.218 117 N CA 0.903 53.963 53.050 0.016 0.000 0.904 117 N CB 0.344 38.842 38.487 0.018 0.000 1.065 117 N HN 0.854 nan 8.380 nan 0.000 0.462 118 Q N 0.154 119.966 119.800 0.021 0.000 2.460 118 Q HA -0.246 4.095 4.340 0.001 0.000 0.248 118 Q C -1.354 174.659 176.000 0.023 0.000 0.847 118 Q CA 0.932 56.749 55.803 0.025 0.000 1.214 118 Q CB -1.202 27.557 28.738 0.034 0.000 1.523 118 Q HN 0.651 nan 8.270 nan 0.000 0.602 119 A N 1.033 123.862 122.820 0.015 0.000 2.258 119 A HA 0.715 5.035 4.320 0.001 0.000 0.316 119 A C -0.033 177.551 177.584 0.001 0.000 1.279 119 A CA -0.358 51.685 52.037 0.010 0.000 0.876 119 A CB 0.422 19.426 19.000 0.007 0.000 1.170 119 A HN 0.521 nan 8.150 nan 0.000 0.520 120 I N 0.134 120.701 120.570 -0.005 0.000 3.042 120 I HA 0.695 4.866 4.170 0.001 0.000 0.310 120 I C -0.078 176.023 176.117 -0.026 0.000 1.117 120 I CA -1.394 59.896 61.300 -0.017 0.000 1.003 120 I CB 2.023 40.008 38.000 -0.025 0.000 1.228 120 I HN 0.644 nan 8.210 nan 0.000 0.443 121 R N 3.150 123.629 120.500 -0.035 0.000 2.242 121 R HA 0.285 4.626 4.340 0.001 0.000 0.334 121 R C -0.482 175.777 176.300 -0.068 0.000 1.071 121 R CA -0.341 55.735 56.100 -0.040 0.000 0.922 121 R CB 1.065 31.345 30.300 -0.033 0.000 1.023 121 R HN 0.845 nan 8.270 nan 0.000 0.458 122 Q N 1.363 121.130 119.800 -0.056 0.000 2.324 122 Q HA 0.141 4.481 4.340 0.001 0.000 0.207 122 Q C -1.536 174.451 176.000 -0.022 0.000 0.928 122 Q CA -0.238 55.516 55.803 -0.081 0.000 0.890 122 Q CB -0.348 28.380 28.738 -0.017 0.000 1.001 122 Q HN 0.527 nan 8.270 nan 0.000 0.517 123 P HA 0.130 nan 4.420 nan 0.000 0.264 123 P C -0.038 177.282 177.300 0.033 0.000 1.229 123 P CA 1.094 64.226 63.100 0.052 0.000 0.780 123 P CB 0.556 32.266 31.700 0.017 0.000 0.808 127 A N 1.180 124.139 122.820 0.231 0.000 5.391 127 A HA -0.398 3.923 4.320 0.001 0.000 0.315 127 A C 1.472 179.138 177.584 0.137 0.000 1.874 127 A CA 2.105 54.246 52.037 0.174 0.000 0.714 127 A CB -1.915 17.203 19.000 0.197 0.000 1.335 127 A HN 1.031 nan 8.150 nan 0.000 0.382 128 S N -1.269 114.430 115.700 -0.000 0.000 2.582 128 S HA 0.313 4.784 4.470 0.001 0.000 0.234 128 S C 0.998 175.527 174.600 -0.120 0.000 0.961 128 S CA 0.672 58.836 58.200 -0.061 0.000 0.953 128 S CB -0.238 62.896 63.200 -0.111 0.000 0.800 128 S HN 0.685 nan 8.310 nan 0.000 0.471 129 H N 1.970 121.134 119.070 0.157 0.000 2.436 129 H HA 0.209 4.765 4.556 0.000 0.000 0.294 129 H C -1.782 173.584 175.328 0.063 0.000 1.048 129 H CA -0.019 56.094 56.048 0.109 0.000 1.353 129 H CB -1.351 28.505 29.762 0.156 0.000 1.414 129 H HN 0.423 nan 8.280 nan 0.000 0.536 130 P HA 0.068 nan 4.420 nan 0.000 0.274 130 P C 0.844 178.163 177.300 0.031 0.000 1.231 130 P CA 0.218 63.382 63.100 0.106 0.000 0.790 130 P CB 1.046 32.858 31.700 0.187 0.000 0.951 131 T N -0.308 114.214 114.554 -0.053 0.000 2.812 131 T HA -0.048 4.303 4.350 0.001 0.000 0.264 131 T C 0.468 174.958 174.700 -0.350 0.000 1.042 131 T CA 1.486 63.456 62.100 -0.217 0.000 1.140 131 T CB -0.376 68.310 68.868 -0.303 0.000 0.870 131 T HN 0.451 nan 8.240 nan 0.000 0.445 132 H N -0.102 118.996 119.070 0.046 0.000 2.690 132 H HA 0.574 5.131 4.556 0.001 0.000 0.368 132 H C -0.964 174.420 175.328 0.093 0.000 1.150 132 H CA -0.745 55.334 56.048 0.051 0.000 1.174 132 H CB 1.791 31.555 29.762 0.003 0.000 1.684 132 H HN -0.036 nan 8.280 nan 0.000 0.538 133 S N 2.828 118.670 115.700 0.237 0.000 2.667 133 S HA 0.367 4.837 4.470 0.001 0.000 0.304 133 S C 0.439 175.103 174.600 0.106 0.000 1.135 133 S CA -0.617 57.697 58.200 0.190 0.000 1.125 133 S CB 0.069 63.399 63.200 0.217 0.000 0.996 133 S HN 0.359 nan 8.310 nan 0.000 0.474 134 I N 2.800 123.395 120.570 0.042 0.000 2.291 134 I HA 0.173 4.344 4.170 0.001 0.000 0.292 134 I C 0.560 176.658 176.117 -0.033 0.000 1.064 134 I CA -0.124 61.183 61.300 0.011 0.000 1.269 134 I CB 0.920 38.907 38.000 -0.023 0.000 1.418 134 I HN 0.440 nan 8.210 nan 0.000 0.485 135 S N 7.989 123.701 115.700 0.020 0.000 2.473 135 S HA 0.421 4.891 4.470 0.001 0.000 0.312 135 S C -0.059 174.594 174.600 0.089 0.000 1.087 135 S CA -0.674 57.531 58.200 0.008 0.000 1.077 135 S CB -0.105 63.108 63.200 0.022 0.000 1.065 135 S HN 0.403 nan 8.310 nan 0.000 0.510 136 L N 6.656 127.938 121.223 0.098 0.000 2.439 136 L HA 0.395 4.736 4.340 0.001 0.000 0.269 136 L C -1.567 175.391 176.870 0.148 0.000 1.179 136 L CA -1.673 53.307 54.840 0.233 0.000 0.828 136 L CB 0.328 42.557 42.059 0.283 0.000 1.106 136 L HN 0.469 nan 8.230 nan 0.000 0.467 137 P HA 0.181 nan 4.420 nan 0.000 0.282 137 P C -0.848 176.395 177.300 -0.095 0.000 1.287 137 P CA -0.831 62.275 63.100 0.011 0.000 0.792 137 P CB 0.578 32.244 31.700 -0.057 0.000 1.163 138 R N 0.765 121.160 120.500 -0.174 0.000 2.484 138 R HA 0.164 4.504 4.340 0.001 0.000 0.293 138 R C -1.883 174.137 176.300 -0.467 0.000 1.023 138 R CA -1.169 54.763 56.100 -0.280 0.000 1.037 138 R CB -0.674 29.507 30.300 -0.198 0.000 0.951 138 R HN 0.372 nan 8.270 nan 0.000 0.418 139 P HA -0.050 nan 4.420 nan 0.000 0.262 139 P C -0.720 176.262 177.300 -0.530 0.000 1.182 139 P CA 0.495 62.798 63.100 -1.328 0.000 0.761 139 P CB 0.925 31.891 31.700 -1.224 0.000 0.795 140 T N 1.352 115.709 114.554 -0.330 0.000 2.889 140 T HA 0.149 4.499 4.350 0.001 0.000 0.315 140 T C 0.522 175.092 174.700 -0.216 0.000 1.291 140 T CA -0.522 61.432 62.100 -0.243 0.000 1.028 140 T CB 1.122 69.876 68.868 -0.190 0.000 1.235 140 T HN 0.282 nan 8.240 nan 0.000 0.491 141 Q N 0.737 120.178 119.800 -0.598 0.000 2.378 141 Q HA -0.019 4.321 4.340 0.001 0.000 0.205 141 Q C 0.637 176.633 176.000 -0.008 0.000 0.954 141 Q CA 0.888 56.386 55.803 -0.509 0.000 0.901 141 Q CB 0.184 28.568 28.738 -0.590 0.000 0.981 141 Q HN 0.636 nan 8.270 nan 0.000 0.483 142 D N 0.338 120.721 120.400 -0.029 0.000 2.378 142 D HA 0.010 4.650 4.640 0.001 0.000 0.227 142 D C 0.261 176.629 176.300 0.113 0.000 1.012 142 D CA 0.737 54.762 54.000 0.042 0.000 0.905 142 D CB 0.304 41.089 40.800 -0.024 0.000 0.895 142 D HN 0.253 nan 8.370 nan 0.000 0.532 143 I N 2.814 123.519 120.570 0.226 0.000 2.362 143 I HA 0.181 4.351 4.170 0.001 0.000 0.289 143 I C -2.263 174.198 176.117 0.573 0.000 0.994 143 I CA -2.256 59.207 61.300 0.271 0.000 1.158 143 I CB 2.243 40.355 38.000 0.186 0.000 1.315 143 I HN -0.343 nan 8.210 nan 0.000 0.451 144 P HA 0.078 nan 4.420 nan 0.000 0.275 144 P C 0.462 177.810 177.300 0.080 0.000 1.227 144 P CA -0.189 63.073 63.100 0.271 0.000 0.781 144 P CB 1.360 33.119 31.700 0.098 0.000 0.906 145 A N 4.942 127.439 122.820 -0.538 0.000 1.997 145 A HA -0.260 4.060 4.320 0.001 0.000 0.221 145 A C 2.159 179.300 177.584 -0.738 0.000 1.172 145 A CA 1.919 53.417 52.037 -0.898 0.000 0.645 145 A CB -1.025 17.069 19.000 -1.510 0.000 0.813 145 A HN 0.699 nan 8.150 nan 0.000 0.454 146 R N -2.024 118.070 120.500 -0.676 0.000 2.120 146 R HA -0.200 4.141 4.340 0.001 0.000 0.234 146 R C 2.017 178.079 176.300 -0.397 0.000 1.123 146 R CA 1.566 57.201 56.100 -0.775 0.000 0.975 146 R CB -0.729 29.321 30.300 -0.416 0.000 0.866 146 R HN 0.656 nan 8.270 nan 0.000 0.446 147 W N 1.606 122.735 121.300 -0.285 0.000 2.355 147 W HA -0.147 4.513 4.660 0.001 0.000 0.309 147 W C 1.861 178.242 176.519 -0.230 0.000 1.206 147 W CA 1.079 58.324 57.345 -0.166 0.000 1.284 147 W CB -0.357 29.074 29.460 -0.048 0.000 1.145 147 W HN 0.080 nan 8.180 nan 0.000 0.502 148 L N 0.552 121.640 121.223 -0.225 0.000 1.970 148 L HA -0.208 4.132 4.340 0.001 0.000 0.212 148 L C 2.585 179.083 176.870 -0.621 0.000 1.071 148 L CA 2.362 56.900 54.840 -0.503 0.000 0.751 148 L CB -1.782 40.004 42.059 -0.455 0.000 0.889 148 L HN 0.068 nan 8.230 nan 0.000 0.432 149 V N -1.247 118.284 119.914 -0.637 0.000 2.332 149 V HA -0.310 3.810 4.120 0.001 0.000 0.248 149 V C 2.521 178.359 176.094 -0.426 0.000 1.055 149 V CA 2.303 64.244 62.300 -0.599 0.000 1.038 149 V CB -0.225 30.998 31.823 -1.000 0.000 0.651 149 V HN 0.656 nan 8.190 nan 0.000 0.450 150 S N -0.192 115.240 115.700 -0.447 0.000 2.368 150 S HA -0.190 4.281 4.470 0.001 0.000 0.225 150 S C 1.895 176.312 174.600 -0.305 0.000 1.030 150 S CA 1.963 60.023 58.200 -0.234 0.000 0.999 150 S CB -0.551 62.553 63.200 -0.160 0.000 0.844 150 S HN 0.805 nan 8.310 nan 0.000 0.459 151 T N 2.531 116.726 114.554 -0.598 0.000 2.746 151 T HA 0.017 4.368 4.350 0.001 0.000 0.267 151 T C 1.763 176.267 174.700 -0.326 0.000 1.039 151 T CA 1.136 62.902 62.100 -0.556 0.000 1.142 151 T CB -0.423 67.848 68.868 -0.995 0.000 0.866 151 T HN 0.308 nan 8.240 nan 0.000 0.444 152 I N 1.160 121.529 120.570 -0.335 0.000 2.315 152 I HA -0.136 4.034 4.170 0.001 0.000 0.248 152 I C 2.409 178.415 176.117 -0.185 0.000 1.117 152 I CA 1.073 62.237 61.300 -0.227 0.000 1.404 152 I CB -0.321 37.567 38.000 -0.186 0.000 1.071 152 I HN 0.084 nan 8.210 nan 0.000 0.419 153 D N -0.081 120.266 120.400 -0.088 0.000 2.123 153 D HA -0.249 4.391 4.640 0.001 0.000 0.196 153 D C 1.974 178.269 176.300 -0.008 0.000 0.992 153 D CA 1.537 55.575 54.000 0.063 0.000 0.833 153 D CB -0.250 40.633 40.800 0.138 0.000 0.954 153 D HN 0.433 nan 8.370 nan 0.000 0.455 154 H N 0.638 119.629 119.070 -0.132 0.000 2.270 154 H HA -0.034 4.522 4.556 0.001 0.000 0.299 154 H C 1.835 177.019 175.328 -0.239 0.000 1.077 154 H CA 2.598 58.554 56.048 -0.153 0.000 1.294 154 H CB -0.401 29.253 29.762 -0.180 0.000 1.371 154 H HN 0.033 nan 8.280 nan 0.000 0.491 155 A N 0.477 122.943 122.820 -0.591 0.000 1.908 155 A HA -0.116 4.204 4.320 0.001 0.000 0.218 155 A C 2.653 179.997 177.584 -0.400 0.000 1.181 155 A CA 1.785 53.353 52.037 -0.781 0.000 0.627 155 A CB -1.005 17.740 19.000 -0.426 0.000 0.818 155 A HN 0.493 nan 8.150 nan 0.000 0.445 156 L N -0.994 120.016 121.223 -0.356 0.000 2.095 156 L HA -0.006 4.335 4.340 0.001 0.000 0.204 156 L C 2.810 179.538 176.870 -0.237 0.000 1.080 156 L CA 0.944 55.562 54.840 -0.370 0.000 0.759 156 L CB -0.564 41.037 42.059 -0.763 0.000 0.914 156 L HN 0.470 nan 8.230 nan 0.000 0.439 157 G N -0.721 107.982 108.800 -0.162 0.000 2.440 157 G HA2 -0.295 3.665 3.960 0.001 0.000 0.218 157 G HA3 -0.295 3.665 3.960 0.001 0.000 0.218 157 G C 1.504 176.405 174.900 0.003 0.000 1.154 157 G CA 1.396 46.518 45.100 0.038 0.000 0.767 157 G HN 0.450 nan 8.290 nan 0.000 0.552 158 T N -1.579 112.928 114.554 -0.078 0.000 3.129 158 T HA 0.323 4.673 4.350 0.001 0.000 0.251 158 T C 0.840 175.606 174.700 0.110 0.000 1.117 158 T CA -0.359 61.741 62.100 0.000 0.000 1.034 158 T CB 0.109 68.922 68.868 -0.092 0.000 0.968 158 T HN 0.071 nan 8.240 nan 0.000 0.526 159 L N 2.445 123.722 121.223 0.089 0.000 2.363 159 L HA 0.357 4.698 4.340 0.001 0.000 0.286 159 L C 1.186 178.086 176.870 0.050 0.000 1.106 159 L CA -0.243 54.650 54.840 0.088 0.000 0.859 159 L CB 0.192 42.282 42.059 0.052 0.000 1.223 159 L HN 0.254 nan 8.230 nan 0.000 0.446 160 H N 4.466 123.526 119.070 -0.017 0.000 2.299 160 H HA 0.382 4.938 4.556 0.001 0.000 0.302 160 H C 0.294 175.609 175.328 -0.022 0.000 1.078 160 H CA 1.246 57.285 56.048 -0.015 0.000 1.323 160 H CB 0.422 30.172 29.762 -0.019 0.000 1.381 160 H HN 0.700 nan 8.280 nan 0.000 0.498 161 A N -1.563 121.273 122.820 0.027 0.000 2.610 161 A HA 0.594 4.914 4.320 0.001 0.000 0.291 161 A C 0.001 177.573 177.584 -0.020 0.000 1.086 161 A CA -0.199 51.824 52.037 -0.022 0.000 0.677 161 A CB 0.732 19.749 19.000 0.028 0.000 1.278 161 A HN 1.035 nan 8.150 nan 0.000 0.414 162 G N -1.025 107.757 108.800 -0.030 0.000 2.728 162 G HA2 0.464 4.425 3.960 0.001 0.000 0.294 162 G HA3 0.464 4.425 3.960 0.001 0.000 0.294 162 G C 0.393 175.268 174.900 -0.041 0.000 1.342 162 G CA -0.024 45.055 45.100 -0.035 0.000 0.866 162 G HN 2.268 nan 8.290 nan 0.000 0.534 163 G N -1.635 107.142 108.800 -0.039 0.000 2.412 163 G HA2 0.719 4.679 3.960 0.001 0.000 0.318 163 G HA3 0.719 4.679 3.960 0.001 0.000 0.318 163 G C -0.409 174.497 174.900 0.010 0.000 1.146 163 G CA 0.149 45.231 45.100 -0.029 0.000 0.882 163 G HN 1.461 nan 8.290 nan 0.000 0.501 164 V N 1.767 121.707 119.914 0.043 0.000 2.384 164 V HA 0.275 4.396 4.120 0.001 0.000 0.287 164 V C -0.083 176.107 176.094 0.160 0.000 1.020 164 V CA -0.851 61.514 62.300 0.108 0.000 0.850 164 V CB 1.263 33.140 31.823 0.091 0.000 0.987 164 V HN 0.859 nan 8.190 nan 0.000 0.436 165 H N 6.042 125.180 119.070 0.112 0.000 2.652 165 H HA 0.509 5.065 4.556 0.001 0.000 0.298 165 H C -0.971 174.441 175.328 0.141 0.000 1.076 165 H CA -0.708 55.441 56.048 0.169 0.000 1.360 165 H CB 0.857 30.817 29.762 0.330 0.000 1.421 165 H HN 0.581 nan 8.280 nan 0.000 0.464 166 I N 5.251 125.806 120.570 -0.026 0.000 2.359 166 I HA 0.059 4.229 4.170 0.001 0.000 0.284 166 I C -0.165 175.835 176.117 -0.195 0.000 1.018 166 I CA -0.636 60.587 61.300 -0.129 0.000 1.173 166 I CB 1.005 38.997 38.000 -0.013 0.000 1.326 166 I HN 0.555 nan 8.210 nan 0.000 0.462 167 N N 5.199 123.679 118.700 -0.368 0.000 2.472 167 N HA 0.325 5.066 4.740 0.001 0.000 0.277 167 N C -1.158 174.312 175.510 -0.067 0.000 1.081 167 N CA -0.140 52.793 53.050 -0.195 0.000 0.973 167 N CB 0.933 39.291 38.487 -0.216 0.000 1.105 167 N HN 0.543 nan 8.380 nan 0.000 0.470 168 C N 5.719 124.994 119.300 -0.041 0.000 2.647 168 C HA 0.415 4.875 4.460 0.001 0.000 0.273 168 C C -2.382 172.370 174.990 -0.397 0.000 1.088 168 C CA -1.470 57.443 59.018 -0.175 0.000 1.529 168 C CB 0.287 28.009 27.740 -0.029 0.000 1.810 168 C HN 0.652 nan 8.230 nan 0.000 0.422 169 P HA 0.190 nan 4.420 nan 0.000 0.264 169 P C -0.759 176.123 177.300 -0.697 0.000 1.193 169 P CA 0.556 63.446 63.100 -0.350 0.000 0.763 169 P CB 0.154 31.709 31.700 -0.243 0.000 0.810 170 F N 1.588 121.503 119.950 -0.058 0.000 2.536 170 F HA 0.539 5.066 4.527 0.001 0.000 0.322 170 F C 0.556 176.304 175.800 -0.086 0.000 1.144 170 F CA -0.989 56.954 58.000 -0.096 0.000 0.924 170 F CB 1.458 40.416 39.000 -0.070 0.000 1.181 170 F HN 0.219 nan 8.300 nan 0.000 0.438 171 A N 2.749 125.603 122.820 0.058 0.000 2.351 171 A HA 0.456 4.776 4.320 0.001 0.000 0.257 171 A C -0.121 177.479 177.584 0.026 0.000 1.087 171 A CA -0.532 51.515 52.037 0.016 0.000 0.798 171 A CB 0.302 19.284 19.000 -0.030 0.000 1.033 171 A HN 0.785 nan 8.150 nan 0.000 0.488 172 E N 1.458 121.665 120.200 0.011 0.000 2.134 172 E HA 0.570 4.920 4.350 0.001 0.000 0.278 172 E C -2.833 173.768 176.600 0.002 0.000 0.959 172 E CA -1.641 54.760 56.400 0.002 0.000 0.783 172 E CB 1.010 30.720 29.700 0.016 0.000 1.095 172 E HN 0.269 nan 8.360 nan 0.000 0.399 173 P HA 0.289 nan 4.420 nan 0.000 0.195 173 P C 0.071 177.341 177.300 -0.051 0.000 1.810 173 P CA -0.496 62.607 63.100 0.006 0.000 1.359 173 P CB 0.975 32.684 31.700 0.016 0.000 1.492 174 L N 0.505 121.643 121.223 -0.141 0.000 2.201 174 L HA -0.027 4.314 4.340 0.001 0.000 0.212 174 L C 0.288 176.821 176.870 -0.563 0.000 1.105 174 L CA 1.312 55.906 54.840 -0.410 0.000 0.775 174 L CB -0.440 41.249 42.059 -0.616 0.000 0.913 174 L HN 0.286 nan 8.230 nan 0.000 0.440 175 Y N -0.790 119.503 120.300 -0.013 0.000 2.496 175 Y HA 0.719 5.269 4.550 0.001 0.000 0.331 175 Y C 0.695 176.593 175.900 -0.003 0.000 1.140 175 Y CA -0.562 57.532 58.100 -0.010 0.000 1.166 175 Y CB 1.603 40.059 38.460 -0.007 0.000 1.249 175 Y HN -0.080 nan 8.280 nan 0.000 0.479 176 G N 0.557 109.449 108.800 0.154 0.000 2.356 176 G HA2 0.163 4.124 3.960 0.001 0.000 0.300 176 G HA3 0.163 4.124 3.960 0.001 0.000 0.300 176 G C -1.658 173.280 174.900 0.062 0.000 1.331 176 G CA -1.166 43.986 45.100 0.085 0.000 0.905 176 G HN 0.528 nan 8.290 nan 0.000 0.587 180 D N -0.717 119.711 120.400 0.047 0.000 2.706 180 D HA 0.181 4.822 4.640 0.001 0.000 0.236 180 D C -0.363 175.990 176.300 0.088 0.000 1.231 180 D CA -0.203 53.834 54.000 0.062 0.000 0.828 180 D CB -0.614 40.214 40.800 0.048 0.000 1.015 180 D HN 0.306 nan 8.370 nan 0.000 0.484 181 T N 0.134 114.745 114.554 0.095 0.000 2.902 181 T HA 0.419 4.769 4.350 0.001 0.000 0.301 181 T C 1.515 176.354 174.700 0.232 0.000 1.012 181 T CA 0.578 62.748 62.100 0.116 0.000 1.151 181 T CB 0.837 69.760 68.868 0.092 0.000 0.946 181 T HN 0.519 nan 8.240 nan 0.000 0.542 182 G N 2.410 111.370 108.800 0.268 0.000 2.155 182 G HA2 -0.242 3.718 3.960 0.001 0.000 0.257 182 G HA3 -0.242 3.718 3.960 0.001 0.000 0.257 182 G C 0.706 175.901 174.900 0.492 0.000 0.983 182 G CA 0.287 45.693 45.100 0.510 0.000 0.676 182 G HN 0.693 nan 8.290 nan 0.000 0.528 183 L N 0.132 121.528 121.223 0.287 0.000 2.095 183 L HA 0.072 4.413 4.340 0.001 0.000 0.204 183 L C 2.647 179.638 176.870 0.201 0.000 1.080 183 L CA 2.308 57.261 54.840 0.188 0.000 0.759 183 L CB -0.561 41.559 42.059 0.101 0.000 0.914 183 L HN 0.358 nan 8.230 nan 0.000 0.439 184 S N -0.760 115.068 115.700 0.213 0.000 2.382 184 S HA -0.269 4.201 4.470 0.001 0.000 0.228 184 S C 1.582 176.342 174.600 0.266 0.000 1.027 184 S CA 1.665 59.982 58.200 0.195 0.000 0.991 184 S CB -0.459 62.841 63.200 0.167 0.000 0.823 184 S HN 0.676 nan 8.310 nan 0.000 0.469 185 W N 1.681 123.077 121.300 0.160 0.000 2.436 185 W HA -0.004 4.656 4.660 0.001 0.000 0.284 185 W C 2.175 178.823 176.519 0.216 0.000 1.225 185 W CA 1.070 58.535 57.345 0.200 0.000 1.271 185 W CB -0.310 29.334 29.460 0.307 0.000 1.114 185 W HN 0.328 nan 8.180 nan 0.000 0.559 186 Q N -0.133 119.860 119.800 0.322 0.000 2.123 186 Q HA -0.220 4.120 4.340 0.001 0.000 0.199 186 Q C 2.221 178.390 176.000 0.282 0.000 0.966 186 Q CA 1.646 57.585 55.803 0.227 0.000 0.845 186 Q CB -0.276 28.614 28.738 0.253 0.000 0.907 186 Q HN 0.439 nan 8.270 nan 0.000 0.439 187 Q N -0.055 119.855 119.800 0.184 0.000 2.291 187 Q HA -0.116 4.225 4.340 0.001 0.000 0.205 187 Q C 1.709 177.808 176.000 0.166 0.000 0.970 187 Q CA 0.620 56.535 55.803 0.187 0.000 0.876 187 Q CB 0.025 28.832 28.738 0.115 0.000 0.935 187 Q HN 0.150 nan 8.270 nan 0.000 0.455 188 R N 0.235 120.777 120.500 0.070 0.000 2.316 188 R HA -0.094 4.247 4.340 0.001 0.000 0.232 188 R C 1.417 177.714 176.300 -0.005 0.000 1.137 188 R CA 0.779 56.888 56.100 0.014 0.000 1.012 188 R CB -0.029 30.232 30.300 -0.065 0.000 0.859 188 R HN 0.246 nan 8.270 nan 0.000 0.474 189 L N -0.631 120.588 121.223 -0.006 0.000 2.591 189 L HA 0.171 4.512 4.340 0.001 0.000 0.228 189 L C 1.326 178.362 176.870 0.277 0.000 1.133 189 L CA 0.104 54.884 54.840 -0.101 0.000 0.880 189 L CB -0.448 41.321 42.059 -0.483 0.000 1.033 189 L HN 0.400 nan 8.230 nan 0.000 0.450 190 G N 2.013 111.001 108.800 0.313 0.000 2.581 190 G HA2 -0.445 3.515 3.960 0.001 0.000 0.291 190 G HA3 -0.445 3.515 3.960 0.001 0.000 0.291 190 G C 0.410 175.545 174.900 0.392 0.000 1.277 190 G CA 0.547 45.835 45.100 0.313 0.000 0.959 190 G HN 0.580 nan 8.290 nan 0.000 0.554 191 D N -0.549 120.024 120.400 0.288 0.000 2.378 191 D HA 0.019 4.659 4.640 0.001 0.000 0.227 191 D C 1.640 178.084 176.300 0.239 0.000 1.012 191 D CA 1.230 55.374 54.000 0.240 0.000 0.905 191 D CB -0.421 40.464 40.800 0.141 0.000 0.895 191 D HN 0.636 nan 8.370 nan 0.000 0.532 192 W N 0.639 122.003 121.300 0.107 0.000 2.313 192 W HA -0.194 4.467 4.660 0.001 0.000 0.293 192 W C 1.063 177.547 176.519 -0.059 0.000 1.216 192 W CA 1.289 58.647 57.345 0.022 0.000 1.223 192 W CB -0.501 29.015 29.460 0.093 0.000 1.138 192 W HN 0.036 nan 8.180 nan 0.000 0.535 193 W N 0.056 121.396 121.300 0.067 0.000 2.387 193 W HA -0.180 4.480 4.660 0.001 0.000 0.272 193 W C 2.034 178.398 176.519 -0.258 0.000 1.224 193 W CA 1.333 58.569 57.345 -0.181 0.000 1.210 193 W CB -0.541 28.944 29.460 0.041 0.000 1.125 193 W HN -0.016 nan 8.180 nan 0.000 0.572 194 Q N -0.792 119.018 119.800 0.016 0.000 2.319 194 Q HA 0.039 4.379 4.340 0.001 0.000 0.209 194 Q C 0.495 176.414 176.000 -0.135 0.000 0.884 194 Q CA 0.243 56.020 55.803 -0.044 0.000 0.938 194 Q CB 0.059 28.804 28.738 0.013 0.000 1.098 194 Q HN -0.034 nan 8.270 nan 0.000 0.517 195 D N 0.625 120.886 120.400 -0.231 0.000 2.371 195 D HA -0.021 4.619 4.640 0.001 0.000 0.242 195 D C 0.233 176.346 176.300 -0.312 0.000 1.218 195 D CA 0.307 54.160 54.000 -0.243 0.000 0.945 195 D CB 0.924 41.582 40.800 -0.236 0.000 1.137 195 D HN 0.141 nan 8.370 nan 0.000 0.464 196 D N -1.245 119.022 120.400 -0.221 0.000 2.520 196 D HA 0.035 4.675 4.640 0.001 0.000 0.223 196 D C -0.021 176.176 176.300 -0.172 0.000 1.186 196 D CA -0.113 53.767 54.000 -0.200 0.000 0.821 196 D CB -0.115 40.602 40.800 -0.138 0.000 1.072 196 D HN 0.381 nan 8.370 nan 0.000 0.518 197 K N 0.053 120.364 120.400 -0.148 0.000 2.168 197 K HA 0.675 4.995 4.320 0.001 0.000 0.239 197 K C -2.879 173.697 176.600 -0.039 0.000 0.999 197 K CA -2.023 54.201 56.287 -0.105 0.000 0.900 197 K CB 0.679 33.138 32.500 -0.069 0.000 1.111 197 K HN -0.271 nan 8.250 nan 0.000 0.452 198 P HA -0.088 nan 4.420 nan 0.000 0.272 198 P C -0.008 177.472 177.300 0.301 0.000 1.230 198 P CA -0.505 62.665 63.100 0.117 0.000 0.788 198 P CB 0.346 32.020 31.700 -0.044 0.000 0.949 199 W N 3.142 124.545 121.300 0.173 0.000 2.378 199 W HA 0.003 4.664 4.660 0.001 0.000 0.313 199 W C -0.399 176.074 176.519 -0.077 0.000 1.197 199 W CA 1.105 58.400 57.345 -0.083 0.000 1.304 199 W CB -0.143 28.977 29.460 -0.566 0.000 1.148 199 W HN 0.154 nan 8.180 nan 0.000 0.494 200 L N 3.846 125.134 121.223 0.110 0.000 2.280 200 L HA 0.350 4.691 4.340 0.001 0.000 0.287 200 L C -0.086 176.812 176.870 0.047 0.000 1.023 200 L CA -0.433 54.413 54.840 0.011 0.000 0.819 200 L CB 1.007 43.112 42.059 0.077 0.000 1.212 200 L HN -0.020 nan 8.230 nan 0.000 0.420 201 R N 4.124 124.624 120.500 0.001 0.000 2.207 201 R HA 0.356 4.697 4.340 0.001 0.000 0.334 201 R C -0.666 175.652 176.300 0.031 0.000 1.013 201 R CA -0.500 55.614 56.100 0.024 0.000 0.858 201 R CB 1.432 31.729 30.300 -0.004 0.000 1.094 201 R HN 0.562 nan 8.270 nan 0.000 0.457 202 E N 2.924 123.161 120.200 0.062 0.000 2.460 202 E HA 0.355 4.705 4.350 0.001 0.000 0.249 202 E C -1.392 175.246 176.600 0.064 0.000 0.962 202 E CA -0.472 55.966 56.400 0.064 0.000 0.787 202 E CB 1.523 31.281 29.700 0.096 0.000 1.341 202 E HN 0.802 nan 8.360 nan 0.000 0.407 203 A N 5.349 128.201 122.820 0.054 0.000 3.355 203 A HA 0.361 4.682 4.320 0.001 0.000 0.290 203 A C -2.378 175.237 177.584 0.051 0.000 0.973 203 A CA -0.928 51.142 52.037 0.055 0.000 0.933 203 A CB 0.174 19.205 19.000 0.052 0.000 1.138 203 A HN 0.417 nan 8.150 nan 0.000 0.490 204 P HA 0.377 nan 4.420 nan 0.000 0.275 204 P C -0.558 176.781 177.300 0.065 0.000 1.228 204 P CA -0.148 62.984 63.100 0.053 0.000 0.786 204 P CB 0.808 32.540 31.700 0.052 0.000 0.927 205 R N 1.184 121.720 120.500 0.060 0.000 2.428 205 R HA 0.551 4.892 4.340 0.001 0.000 0.294 205 R C -0.448 175.893 176.300 0.068 0.000 1.000 205 R CA -0.989 55.156 56.100 0.076 0.000 0.960 205 R CB 0.917 31.254 30.300 0.061 0.000 1.076 205 R HN 0.385 nan 8.270 nan 0.000 0.475 206 L N 1.967 123.243 121.223 0.089 0.000 2.319 206 L HA 0.383 4.724 4.340 0.001 0.000 0.281 206 L C -0.876 176.013 176.870 0.032 0.000 1.005 206 L CA 0.200 55.052 54.840 0.020 0.000 0.828 206 L CB 1.236 43.240 42.059 -0.092 0.000 1.227 206 L HN 0.610 nan 8.230 nan 0.000 0.415 207 E N 2.615 122.829 120.200 0.023 0.000 2.366 207 E HA 0.403 4.754 4.350 0.001 0.000 0.278 207 E C -1.129 175.491 176.600 0.033 0.000 0.923 207 E CA -0.797 55.629 56.400 0.043 0.000 0.761 207 E CB 2.199 31.937 29.700 0.065 0.000 1.231 207 E HN 0.555 nan 8.360 nan 0.000 0.443 208 S N 1.194 116.922 115.700 0.048 0.000 2.592 208 S HA 0.116 4.587 4.470 0.001 0.000 0.271 208 S C -0.011 174.643 174.600 0.090 0.000 1.326 208 S CA -0.354 57.878 58.200 0.053 0.000 1.024 208 S CB 0.721 63.948 63.200 0.045 0.000 0.921 208 S HN 0.352 nan 8.310 nan 0.000 0.527 209 E N 1.186 121.430 120.200 0.073 0.000 2.374 209 E HA 0.107 4.458 4.350 0.001 0.000 0.260 209 E C 0.032 176.709 176.600 0.129 0.000 1.101 209 E CA -0.497 55.949 56.400 0.078 0.000 0.907 209 E CB 0.479 30.210 29.700 0.052 0.000 1.014 209 E HN 0.291 nan 8.360 nan 0.000 0.427 210 K N 2.437 122.895 120.400 0.096 0.000 2.491 210 K HA -0.099 4.222 4.320 0.001 0.000 0.279 210 K C -0.624 176.103 176.600 0.211 0.000 1.026 210 K CA 0.225 56.571 56.287 0.099 0.000 1.070 210 K CB 0.416 32.890 32.500 -0.044 0.000 0.887 210 K HN 0.376 nan 8.250 nan 0.000 0.481 211 Q N 4.386 124.475 119.800 0.481 0.000 2.324 211 Q HA 0.032 4.372 4.340 0.001 0.000 0.257 211 Q C 0.522 176.776 176.000 0.423 0.000 1.080 211 Q CA 0.375 56.406 55.803 0.380 0.000 0.907 211 Q CB 0.552 29.476 28.738 0.309 0.000 1.274 211 Q HN 0.449 nan 8.270 nan 0.000 0.434 212 R N 1.457 122.132 120.500 0.290 0.000 2.310 212 R HA -0.036 4.305 4.340 0.001 0.000 0.202 212 R C 0.101 176.574 176.300 0.288 0.000 0.933 212 R CA 0.473 56.706 56.100 0.222 0.000 1.054 212 R CB 0.498 30.866 30.300 0.114 0.000 0.985 212 R HN 0.505 nan 8.270 nan 0.000 0.489 213 D N -1.016 119.659 120.400 0.460 0.000 2.462 213 D HA -0.113 4.527 4.640 0.001 0.000 0.221 213 D C 1.160 177.980 176.300 0.866 0.000 1.173 213 D CA -0.487 53.841 54.000 0.546 0.000 0.831 213 D CB -0.580 40.523 40.800 0.504 0.000 1.001 213 D HN 0.229 nan 8.370 nan 0.000 0.499 214 W N 0.577 122.304 121.300 0.712 0.000 2.338 214 W HA -0.248 4.412 4.660 0.000 0.000 0.304 214 W C 0.451 177.375 176.519 0.675 0.000 1.212 214 W CA 0.664 58.488 57.345 0.798 0.000 1.264 214 W CB -0.212 29.710 29.460 0.769 0.000 1.142 214 W HN -0.107 nan 8.180 nan 0.000 0.512 215 F N 0.005 120.023 119.950 0.113 0.000 2.216 215 F HA -0.155 4.372 4.527 0.001 0.000 0.300 215 F C 2.279 178.018 175.800 -0.100 0.000 1.085 215 F CA 1.418 59.346 58.000 -0.120 0.000 1.326 215 F CB -1.657 37.347 39.000 0.006 0.000 1.027 215 F HN -0.110 nan 8.300 nan 0.000 0.497 216 F N -1.109 118.882 119.950 0.069 0.000 2.084 216 F HA -0.186 4.341 4.527 0.001 0.000 0.296 216 F C 2.053 177.716 175.800 -0.230 0.000 1.111 216 F CA 1.584 59.501 58.000 -0.139 0.000 1.224 216 F CB -0.648 38.215 39.000 -0.229 0.000 0.991 216 F HN -0.097 nan 8.300 nan 0.000 0.471 217 W N 1.688 123.008 121.300 0.032 0.000 2.388 217 W HA -0.084 4.577 4.660 0.001 0.000 0.294 217 W C 2.578 178.928 176.519 -0.281 0.000 1.212 217 W CA 1.217 58.498 57.345 -0.107 0.000 1.271 217 W CB -0.429 29.183 29.460 0.253 0.000 1.126 217 W HN -0.045 nan 8.180 nan 0.000 0.535 218 R N 1.329 121.527 120.500 -0.503 0.000 2.397 218 R HA -0.157 4.183 4.340 0.001 0.000 0.213 218 R C 0.867 176.963 176.300 -0.340 0.000 1.102 218 R CA 1.442 57.069 56.100 -0.789 0.000 1.040 218 R CB -0.557 28.766 30.300 -1.628 0.000 0.844 218 R HN 0.358 nan 8.270 nan 0.000 0.478 219 Q N 0.132 119.774 119.800 -0.263 0.000 2.281 219 Q HA 0.163 4.503 4.340 0.001 0.000 0.215 219 Q C -0.091 175.823 176.000 -0.143 0.000 0.867 219 Q CA -0.151 55.530 55.803 -0.204 0.000 0.940 219 Q CB 0.657 29.227 28.738 -0.280 0.000 1.111 219 Q HN 0.126 nan 8.270 nan 0.000 0.513 220 K N 1.346 121.657 120.400 -0.148 0.000 2.118 220 K HA 0.226 4.547 4.320 0.001 0.000 0.240 220 K C 0.157 176.587 176.600 -0.283 0.000 1.035 220 K CA -0.268 55.882 56.287 -0.229 0.000 0.899 220 K CB 0.461 32.846 32.500 -0.191 0.000 1.085 220 K HN 0.014 nan 8.250 nan 0.000 0.498 221 R N 0.824 120.968 120.500 -0.593 0.000 2.351 221 R HA 0.160 4.500 4.340 0.001 0.000 0.321 221 R C 0.518 176.150 176.300 -1.115 0.000 1.182 221 R CA -0.092 55.285 56.100 -1.205 0.000 1.011 221 R CB -0.178 29.149 30.300 -1.622 0.000 1.048 221 R HN 0.597 nan 8.270 nan 0.000 0.490 222 G N 1.088 108.920 108.800 -1.613 0.000 2.461 222 G HA2 0.511 4.472 3.960 0.001 0.000 0.329 222 G HA3 0.511 4.472 3.960 0.001 0.000 0.329 222 G C -0.849 173.505 174.900 -0.910 0.000 1.170 222 G CA -0.417 43.483 45.100 -2.000 0.000 0.935 222 G HN 0.274 nan 8.290 nan 0.000 0.492 223 V N 0.393 120.076 119.914 -0.384 0.000 2.588 223 V HA 0.390 4.511 4.120 0.001 0.000 0.304 223 V C -0.291 175.916 176.094 0.188 0.000 1.042 223 V CA -0.710 61.634 62.300 0.074 0.000 0.877 223 V CB 1.814 33.756 31.823 0.198 0.000 0.996 223 V HN 0.552 nan 8.190 nan 0.000 0.425 224 V N 5.285 125.396 119.914 0.329 0.000 2.364 224 V HA 0.415 4.536 4.120 0.001 0.000 0.272 224 V C -0.043 176.187 176.094 0.227 0.000 1.036 224 V CA -0.524 61.991 62.300 0.358 0.000 0.880 224 V CB 1.489 33.600 31.823 0.480 0.000 0.991 224 V HN 0.599 nan 8.190 nan 0.000 0.460 225 V N 4.499 124.520 119.914 0.178 0.000 2.370 225 V HA 0.769 4.890 4.120 0.001 0.000 0.283 225 V C 0.403 176.563 176.094 0.110 0.000 1.023 225 V CA -0.347 62.041 62.300 0.146 0.000 0.857 225 V CB 1.574 33.505 31.823 0.180 0.000 0.985 225 V HN 0.979 nan 8.190 nan 0.000 0.443 226 A N 3.941 126.814 122.820 0.089 0.000 2.319 226 A HA 0.895 5.216 4.320 0.001 0.000 0.310 226 A C 0.323 177.925 177.584 0.030 0.000 1.152 226 A CA 0.106 52.176 52.037 0.055 0.000 0.783 226 A CB 1.367 20.404 19.000 0.062 0.000 1.184 226 A HN 0.943 nan 8.150 nan 0.000 0.474 227 G N 0.670 109.477 108.800 0.012 0.000 3.039 227 G HA2 0.497 4.458 3.960 0.001 0.000 0.159 227 G HA3 0.497 4.458 3.960 0.001 0.000 0.159 227 G C 0.350 175.238 174.900 -0.020 0.000 1.284 227 G CA -0.655 44.444 45.100 -0.002 0.000 0.996 227 G HN 0.870 nan 8.290 nan 0.000 0.592 231 A N 1.009 123.779 122.820 -0.083 0.000 1.972 231 A HA 0.003 4.324 4.320 0.001 0.000 0.219 231 A C 1.909 179.467 177.584 -0.044 0.000 1.169 231 A CA 1.647 53.636 52.037 -0.080 0.000 0.635 231 A CB -0.810 18.124 19.000 -0.110 0.000 0.810 231 A HN 0.794 nan 8.150 nan 0.000 0.446 232 E N 0.052 120.232 120.200 -0.033 0.000 2.107 232 E HA -0.147 4.203 4.350 0.001 0.000 0.191 232 E C 1.874 178.466 176.600 -0.014 0.000 0.982 232 E CA 1.182 57.571 56.400 -0.018 0.000 0.809 232 E CB -0.295 29.398 29.700 -0.012 0.000 0.756 232 E HN 0.783 nan 8.360 nan 0.000 0.459 233 E N 0.100 120.288 120.200 -0.020 0.000 2.110 233 E HA -0.117 4.234 4.350 0.001 0.000 0.193 233 E C 2.108 178.698 176.600 -0.016 0.000 0.988 233 E CA 0.873 57.260 56.400 -0.023 0.000 0.804 233 E CB -0.223 29.458 29.700 -0.032 0.000 0.745 233 E HN 0.262 nan 8.360 nan 0.000 0.458 234 G N 1.793 110.584 108.800 -0.016 0.000 2.446 234 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 234 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 234 G C 1.443 176.355 174.900 0.019 0.000 1.168 234 G CA 0.875 45.974 45.100 -0.001 0.000 0.771 234 G HN 0.125 nan 8.290 nan 0.000 0.551 235 K N 0.420 120.829 120.400 0.014 0.000 2.032 235 K HA -0.058 4.262 4.320 0.001 0.000 0.209 235 K C 2.628 179.254 176.600 0.045 0.000 1.048 235 K CA 1.311 57.614 56.287 0.026 0.000 0.927 235 K CB -0.135 32.374 32.500 0.016 0.000 0.712 235 K HN 0.211 nan 8.250 nan 0.000 0.441 236 K N 0.542 120.964 120.400 0.036 0.000 2.026 236 K HA -0.121 4.200 4.320 0.001 0.000 0.208 236 K C 2.119 178.778 176.600 0.099 0.000 1.048 236 K CA 1.395 57.713 56.287 0.051 0.000 0.929 236 K CB -0.283 32.225 32.500 0.014 0.000 0.713 236 K HN -0.041 nan 8.250 nan 0.000 0.439 237 V N 1.639 121.597 119.914 0.073 0.000 2.392 237 V HA -0.274 3.846 4.120 0.001 0.000 0.249 237 V C 2.427 178.662 176.094 0.236 0.000 1.059 237 V CA 2.001 64.387 62.300 0.144 0.000 1.051 237 V CB -0.754 31.115 31.823 0.076 0.000 0.658 237 V HN 0.362 nan 8.190 nan 0.000 0.455 238 A N -0.238 122.671 122.820 0.147 0.000 1.858 238 A HA -0.149 4.172 4.320 0.001 0.000 0.216 238 A C 2.224 179.884 177.584 0.127 0.000 1.190 238 A CA 1.579 53.690 52.037 0.124 0.000 0.617 238 A CB -0.630 18.414 19.000 0.073 0.000 0.827 238 A HN 0.380 nan 8.150 nan 0.000 0.443 239 L N -2.132 119.163 121.223 0.121 0.000 2.089 239 L HA -0.237 4.104 4.340 0.001 0.000 0.213 239 L C 2.357 179.318 176.870 0.152 0.000 1.079 239 L CA 2.257 57.163 54.840 0.111 0.000 0.758 239 L CB -0.964 41.158 42.059 0.104 0.000 0.891 239 L HN 0.820 nan 8.230 nan 0.000 0.433 240 W N 0.241 121.546 121.300 0.009 0.000 2.408 240 W HA -0.121 4.539 4.660 0.000 0.000 0.311 240 W C 2.613 179.113 176.519 -0.032 0.000 1.190 240 W CA 1.976 59.324 57.345 0.004 0.000 1.321 240 W CB -0.297 29.192 29.460 0.048 0.000 1.143 240 W HN 0.123 nan 8.180 nan 0.000 0.501 241 A N 0.109 123.034 122.820 0.175 0.000 1.883 241 A HA -0.308 4.012 4.320 0.001 0.000 0.217 241 A C 2.021 179.551 177.584 -0.089 0.000 1.186 241 A CA 2.115 54.153 52.037 0.002 0.000 0.624 241 A CB -1.301 17.818 19.000 0.199 0.000 0.822 241 A HN 0.570 nan 8.150 nan 0.000 0.444 242 Q N -0.818 118.968 119.800 -0.023 0.000 2.030 242 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 242 Q C 2.089 178.023 176.000 -0.111 0.000 0.986 242 Q CA 2.392 58.166 55.803 -0.048 0.000 0.843 242 Q CB -0.425 28.303 28.738 -0.017 0.000 0.904 242 Q HN 0.580 nan 8.270 nan 0.000 0.420 243 T N 1.598 116.070 114.554 -0.136 0.000 2.684 243 T HA -0.157 4.194 4.350 0.001 0.000 0.267 243 T C 1.778 176.303 174.700 -0.293 0.000 1.036 243 T CA 1.517 63.508 62.100 -0.181 0.000 1.148 243 T CB -0.238 68.537 68.868 -0.155 0.000 0.863 243 T HN 0.267 nan 8.240 nan 0.000 0.436 244 L N 0.378 121.304 121.223 -0.496 0.000 2.362 244 L HA 0.131 4.471 4.340 0.001 0.000 0.219 244 L C 1.935 178.548 176.870 -0.428 0.000 1.134 244 L CA 0.707 55.106 54.840 -0.735 0.000 0.807 244 L CB -0.666 40.484 42.059 -1.515 0.000 0.927 244 L HN 0.514 nan 8.230 nan 0.000 0.447 245 G N -1.713 106.970 108.800 -0.196 0.000 2.176 245 G HA2 -0.244 3.717 3.960 0.001 0.000 0.252 245 G HA3 -0.244 3.717 3.960 0.001 0.000 0.252 245 G C -0.377 174.661 174.900 0.230 0.000 1.024 245 G CA -0.378 44.728 45.100 0.010 0.000 0.755 245 G HN 0.152 nan 8.290 nan 0.000 0.507 246 W N 0.708 121.974 121.300 -0.057 0.000 2.496 246 W HA 0.571 5.232 4.660 0.002 0.000 0.327 246 W C -1.618 174.830 176.519 -0.118 0.000 1.086 246 W CA -3.204 54.134 57.345 -0.011 0.000 1.222 246 W CB 0.680 30.186 29.460 0.077 0.000 1.304 246 W HN 0.021 nan 8.180 nan 0.000 0.547 247 P HA 0.052 nan 4.420 nan 0.000 0.268 247 P C -0.787 176.561 177.300 0.080 0.000 1.205 247 P CA -0.143 62.906 63.100 -0.085 0.000 0.771 247 P CB 1.269 32.821 31.700 -0.246 0.000 0.858 248 L N 4.779 126.048 121.223 0.077 0.000 2.318 248 L HA 0.391 4.731 4.340 0.001 0.000 0.277 248 L C -0.395 176.554 176.870 0.133 0.000 1.008 248 L CA -0.702 54.218 54.840 0.132 0.000 0.846 248 L CB 0.102 42.239 42.059 0.130 0.000 1.220 248 L HN 0.218 nan 8.230 nan 0.000 0.423 249 I N 5.105 125.754 120.570 0.132 0.000 2.322 249 I HA 0.385 4.556 4.170 0.001 0.000 0.292 249 I C 0.753 176.916 176.117 0.077 0.000 1.060 249 I CA -0.232 61.133 61.300 0.108 0.000 1.309 249 I CB 0.783 38.789 38.000 0.011 0.000 1.415 249 I HN 0.767 nan 8.210 nan 0.000 0.492 250 G N 4.314 113.155 108.800 0.068 0.000 2.487 250 G HA2 0.335 4.295 3.960 0.001 0.000 0.314 250 G HA3 0.335 4.295 3.960 0.001 0.000 0.314 250 G C -0.930 173.979 174.900 0.015 0.000 1.267 250 G CA -0.388 44.740 45.100 0.047 0.000 0.937 250 G HN 0.597 nan 8.290 nan 0.000 0.481 251 D N 1.114 121.516 120.400 0.003 0.000 2.344 251 D HA 0.215 4.855 4.640 0.001 0.000 0.244 251 D C 1.995 178.281 176.300 -0.025 0.000 1.134 251 D CA -0.265 53.725 54.000 -0.017 0.000 0.930 251 D CB 1.579 42.369 40.800 -0.016 0.000 1.175 251 D HN 0.185 nan 8.370 nan 0.000 0.437 252 V N 1.296 121.188 119.914 -0.036 0.000 2.428 252 V HA -0.278 3.843 4.120 0.001 0.000 0.255 252 V C 1.946 178.008 176.094 -0.053 0.000 1.080 252 V CA 1.575 63.849 62.300 -0.044 0.000 1.083 252 V CB -1.161 30.629 31.823 -0.056 0.000 0.665 252 V HN 0.558 nan 8.190 nan 0.000 0.461 253 L N 1.353 122.541 121.223 -0.057 0.000 2.554 253 L HA 0.049 4.389 4.340 0.001 0.000 0.226 253 L C 2.584 179.413 176.870 -0.069 0.000 1.137 253 L CA 0.985 55.780 54.840 -0.075 0.000 0.863 253 L CB -0.460 41.557 42.059 -0.070 0.000 0.985 253 L HN 0.565 nan 8.230 nan 0.000 0.451 254 S N -0.871 114.803 115.700 -0.043 0.000 2.470 254 S HA -0.135 4.335 4.470 0.001 0.000 0.225 254 S C 1.137 175.718 174.600 -0.030 0.000 1.006 254 S CA 0.193 58.375 58.200 -0.029 0.000 0.934 254 S CB -0.024 63.174 63.200 -0.004 0.000 0.778 254 S HN 0.452 nan 8.310 nan 0.000 0.517 255 Q N 0.805 120.586 119.800 -0.031 0.000 2.450 255 Q HA -0.186 4.154 4.340 0.001 0.000 0.255 255 Q C 1.181 177.181 176.000 -0.001 0.000 1.003 255 Q CA 1.290 57.083 55.803 -0.018 0.000 1.097 255 Q CB -2.812 25.902 28.738 -0.040 0.000 1.544 255 Q HN 0.936 nan 8.270 nan 0.000 0.531 256 T N -4.985 109.574 114.554 0.009 0.000 3.007 256 T HA 0.193 4.544 4.350 0.001 0.000 0.270 256 T C 1.696 176.410 174.700 0.024 0.000 1.107 256 T CA 0.973 63.088 62.100 0.026 0.000 1.118 256 T CB 0.154 69.049 68.868 0.044 0.000 0.889 256 T HN 1.091 nan 8.240 nan 0.000 0.506 257 G N 1.083 109.892 108.800 0.014 0.000 2.213 257 G HA2 -0.288 3.673 3.960 0.001 0.000 0.236 257 G HA3 -0.288 3.673 3.960 0.001 0.000 0.236 257 G C 0.129 175.034 174.900 0.007 0.000 0.991 257 G CA -0.095 45.009 45.100 0.007 0.000 0.629 257 G HN 0.739 nan 8.290 nan 0.000 0.517 258 Q N -1.157 118.656 119.800 0.021 0.000 2.443 258 Q HA -0.178 4.162 4.340 0.001 0.000 0.362 258 Q C -1.598 174.423 176.000 0.035 0.000 1.423 258 Q CA 0.740 56.563 55.803 0.035 0.000 1.037 258 Q CB -0.665 28.090 28.738 0.028 0.000 1.208 258 Q HN 0.561 nan 8.270 nan 0.000 0.334 259 P HA -0.012 nan 4.420 nan 0.000 0.249 259 P C 0.051 177.348 177.300 -0.006 0.000 1.229 259 P CA 0.752 63.855 63.100 0.006 0.000 0.788 259 P CB 0.423 32.121 31.700 -0.003 0.000 1.072 260 L N 1.595 122.847 121.223 0.049 0.000 2.488 260 L HA 0.389 4.730 4.340 0.001 0.000 0.250 260 L C -2.395 174.649 176.870 0.291 0.000 1.280 260 L CA -2.151 52.731 54.840 0.070 0.000 0.929 260 L CB 1.590 43.682 42.059 0.056 0.000 1.200 260 L HN -0.178 nan 8.230 nan 0.000 0.495 261 P HA 0.073 nan 4.420 nan 0.000 0.272 261 P C 0.356 177.826 177.300 0.284 0.000 1.240 261 P CA -0.082 63.127 63.100 0.182 0.000 0.791 261 P CB 0.973 32.730 31.700 0.094 0.000 0.978 262 C N -0.912 118.470 119.300 0.136 0.000 4.432 262 C HA -0.102 4.358 4.460 0.001 0.000 0.294 262 C C 2.119 177.033 174.990 -0.126 0.000 1.398 262 C CA 0.272 59.333 59.018 0.072 0.000 1.988 262 C CB -3.224 24.604 27.740 0.147 0.000 1.251 262 C HN 0.747 nan 8.230 nan 0.000 0.791 263 A N 0.383 122.981 122.820 -0.370 0.000 1.940 263 A HA -0.225 4.096 4.320 0.001 0.000 0.219 263 A C 1.783 178.837 177.584 -0.884 0.000 1.176 263 A CA 2.533 53.825 52.037 -1.241 0.000 0.631 263 A CB -0.463 18.031 19.000 -0.844 0.000 0.814 263 A HN 0.733 nan 8.150 nan 0.000 0.446 264 D N -0.582 119.563 120.400 -0.424 0.000 2.271 264 D HA -0.128 4.512 4.640 0.001 0.000 0.207 264 D C 1.719 177.891 176.300 -0.214 0.000 0.983 264 D CA 1.218 55.059 54.000 -0.265 0.000 0.878 264 D CB -0.078 40.633 40.800 -0.148 0.000 0.920 264 D HN 0.513 nan 8.370 nan 0.000 0.479 265 L N -0.355 120.747 121.223 -0.201 0.000 2.121 265 L HA 0.063 4.404 4.340 0.001 0.000 0.200 265 L C 2.534 179.378 176.870 -0.042 0.000 1.077 265 L CA 0.639 55.433 54.840 -0.077 0.000 0.766 265 L CB -0.977 41.088 42.059 0.010 0.000 0.931 265 L HN 0.350 nan 8.230 nan 0.000 0.452 266 W N 0.555 121.825 121.300 -0.051 0.000 2.465 266 W HA -0.064 4.597 4.660 0.002 0.000 0.268 266 W C 1.615 178.081 176.519 -0.089 0.000 1.242 266 W CA 0.256 57.560 57.345 -0.068 0.000 1.248 266 W CB -0.824 28.588 29.460 -0.080 0.000 1.118 266 W HN 0.124 nan 8.180 nan 0.000 0.587 267 L N 1.764 122.762 121.223 -0.374 0.000 2.265 267 L HA -0.022 4.319 4.340 0.001 0.000 0.215 267 L C 2.728 179.549 176.870 -0.082 0.000 1.117 267 L CA 1.403 56.063 54.840 -0.300 0.000 0.782 267 L CB -1.109 40.641 42.059 -0.515 0.000 0.914 267 L HN 0.123 nan 8.230 nan 0.000 0.441 268 G N -1.007 107.758 108.800 -0.058 0.000 2.744 268 G HA2 -0.149 3.811 3.960 0.001 0.000 0.211 268 G HA3 -0.149 3.811 3.960 0.001 0.000 0.211 268 G C 0.646 175.551 174.900 0.007 0.000 1.143 268 G CA -0.191 44.899 45.100 -0.016 0.000 0.788 268 G HN 0.249 nan 8.290 nan 0.000 0.534 269 N N 0.652 119.376 118.700 0.040 0.000 2.434 269 N HA 0.337 5.078 4.740 0.001 0.000 0.272 269 N C 1.436 176.972 175.510 0.044 0.000 1.040 269 N CA 0.210 53.283 53.050 0.038 0.000 0.956 269 N CB 1.659 40.193 38.487 0.077 0.000 1.108 269 N HN -0.040 nan 8.380 nan 0.000 0.481 270 A N 4.936 127.767 122.820 0.019 0.000 1.940 270 A HA -0.170 4.151 4.320 0.001 0.000 0.219 270 A C 1.984 179.594 177.584 0.044 0.000 1.176 270 A CA 1.410 53.466 52.037 0.032 0.000 0.631 270 A CB -0.196 18.813 19.000 0.014 0.000 0.814 270 A HN 0.822 nan 8.150 nan 0.000 0.446 271 K N -0.216 120.202 120.400 0.030 0.000 2.063 271 K HA -0.083 4.237 4.320 0.001 0.000 0.208 271 K C 2.301 178.919 176.600 0.029 0.000 1.048 271 K CA 1.214 57.514 56.287 0.023 0.000 0.928 271 K CB -0.359 32.143 32.500 0.002 0.000 0.713 271 K HN 0.452 nan 8.250 nan 0.000 0.442 272 A N 1.261 124.111 122.820 0.049 0.000 1.877 272 A HA -0.187 4.133 4.320 0.001 0.000 0.216 272 A C 2.332 179.964 177.584 0.080 0.000 1.186 272 A CA 2.307 54.388 52.037 0.074 0.000 0.620 272 A CB -1.184 17.964 19.000 0.246 0.000 0.822 272 A HN 0.488 nan 8.150 nan 0.000 0.443 273 T N -1.710 112.902 114.554 0.097 0.000 2.777 273 T HA -0.154 4.197 4.350 0.001 0.000 0.266 273 T C 2.151 176.963 174.700 0.187 0.000 1.040 273 T CA 1.914 64.103 62.100 0.148 0.000 1.141 273 T CB -0.834 68.145 68.868 0.185 0.000 0.868 273 T HN 0.659 nan 8.240 nan 0.000 0.444 274 S N 1.651 117.431 115.700 0.132 0.000 2.383 274 S HA -0.173 4.297 4.470 0.001 0.000 0.227 274 S C 2.153 176.835 174.600 0.138 0.000 1.026 274 S CA 1.438 59.713 58.200 0.124 0.000 0.981 274 S CB -0.579 62.672 63.200 0.084 0.000 0.818 274 S HN 0.688 nan 8.310 nan 0.000 0.472 275 E N 0.446 120.718 120.200 0.121 0.000 2.153 275 E HA -0.041 4.310 4.350 0.001 0.000 0.194 275 E C 1.847 178.610 176.600 0.272 0.000 0.988 275 E CA 1.010 57.500 56.400 0.150 0.000 0.811 275 E CB -0.199 29.527 29.700 0.044 0.000 0.746 275 E HN 0.628 nan 8.360 nan 0.000 0.466 276 L N 0.413 121.782 121.223 0.244 0.000 2.478 276 L HA -0.048 4.293 4.340 0.001 0.000 0.223 276 L C 2.155 179.272 176.870 0.411 0.000 1.140 276 L CA 0.381 55.441 54.840 0.366 0.000 0.842 276 L CB -0.012 42.192 42.059 0.241 0.000 0.953 276 L HN 0.145 nan 8.230 nan 0.000 0.452 277 Q N -0.283 119.694 119.800 0.295 0.000 2.437 277 Q HA -0.180 4.161 4.340 0.001 0.000 0.210 277 Q C 1.733 177.804 176.000 0.117 0.000 0.972 277 Q CA 0.920 56.844 55.803 0.202 0.000 0.903 277 Q CB 0.139 28.966 28.738 0.149 0.000 0.967 277 Q HN 0.572 nan 8.270 nan 0.000 0.486 278 Q N -0.454 119.412 119.800 0.110 0.000 2.425 278 Q HA 0.177 4.517 4.340 0.001 0.000 0.204 278 Q C 0.116 175.943 176.000 -0.289 0.000 0.933 278 Q CA -0.003 55.759 55.803 -0.068 0.000 0.939 278 Q CB 0.410 29.116 28.738 -0.054 0.000 1.044 278 Q HN 0.182 nan 8.270 nan 0.000 0.513 279 A N 1.417 124.146 122.820 -0.150 0.000 2.526 279 A HA -0.098 4.222 4.320 0.001 0.000 0.267 279 A C 0.751 178.209 177.584 -0.210 0.000 1.095 279 A CA 0.210 52.111 52.037 -0.225 0.000 0.775 279 A CB 0.226 19.280 19.000 0.092 0.000 1.036 279 A HN 0.334 nan 8.150 nan 0.000 0.510 280 Q N 1.668 121.281 119.800 -0.312 0.000 2.187 280 Q HA 0.210 4.551 4.340 0.001 0.000 0.199 280 Q C 0.553 176.492 176.000 -0.101 0.000 0.957 280 Q CA 0.931 56.653 55.803 -0.134 0.000 0.857 280 Q CB 0.285 28.963 28.738 -0.100 0.000 0.929 280 Q HN 0.850 nan 8.270 nan 0.000 0.453 281 I N -0.274 120.129 120.570 -0.279 0.000 2.769 281 I HA 0.346 4.517 4.170 0.001 0.000 0.298 281 I C -1.661 174.182 176.117 -0.456 0.000 1.128 281 I CA -1.084 59.969 61.300 -0.412 0.000 1.031 281 I CB 2.222 39.903 38.000 -0.532 0.000 1.235 281 I HN -0.313 nan 8.210 nan 0.000 0.423 282 V N 7.186 126.809 119.914 -0.485 0.000 2.444 282 V HA 0.386 4.507 4.120 0.001 0.000 0.294 282 V C -0.466 175.275 176.094 -0.587 0.000 1.022 282 V CA -0.578 61.426 62.300 -0.493 0.000 0.850 282 V CB 1.736 33.242 31.823 -0.527 0.000 0.992 282 V HN 0.457 nan 8.190 nan 0.000 0.426 283 V N 5.512 125.272 119.914 -0.257 0.000 2.293 283 V HA 0.368 4.489 4.120 0.001 0.000 0.275 283 V C 0.086 176.171 176.094 -0.015 0.000 1.021 283 V CA -0.422 61.834 62.300 -0.074 0.000 0.815 283 V CB 1.243 33.237 31.823 0.286 0.000 1.025 283 V HN 0.962 nan 8.190 nan 0.000 0.448 284 Q N 4.868 124.593 119.800 -0.125 0.000 2.256 284 Q HA 0.652 4.992 4.340 0.001 0.000 0.254 284 Q C -1.640 174.324 176.000 -0.061 0.000 0.916 284 Q CA -0.619 55.169 55.803 -0.024 0.000 0.932 284 Q CB 1.458 30.227 28.738 0.052 0.000 1.207 284 Q HN 0.655 nan 8.270 nan 0.000 0.426 285 L N 4.140 125.332 121.223 -0.051 0.000 2.333 285 L HA 0.739 5.079 4.340 0.001 0.000 0.280 285 L C 0.345 177.172 176.870 -0.071 0.000 1.004 285 L CA 0.309 55.074 54.840 -0.126 0.000 0.820 285 L CB 1.816 43.778 42.059 -0.162 0.000 1.247 285 L HN 0.979 nan 8.230 nan 0.000 0.416 286 G N 2.484 111.233 108.800 -0.084 0.000 2.725 286 G HA2 0.113 4.073 3.960 0.001 0.000 0.220 286 G HA3 0.113 4.073 3.960 0.001 0.000 0.220 286 G C -0.431 174.455 174.900 -0.023 0.000 1.357 286 G CA -0.258 44.812 45.100 -0.049 0.000 0.866 286 G HN 1.052 nan 8.290 nan 0.000 0.548 287 S N -2.672 113.019 115.700 -0.014 0.000 2.800 287 S HA 0.809 5.280 4.470 0.001 0.000 0.293 287 S C 0.272 174.868 174.600 -0.007 0.000 1.209 287 S CA 0.654 58.852 58.200 -0.003 0.000 0.884 287 S CB 1.024 64.220 63.200 -0.007 0.000 1.244 287 S HN 2.573 nan 8.310 nan 0.000 0.540 288 S N 0.558 116.253 115.700 -0.008 0.000 3.572 288 S HA -0.100 4.370 4.470 0.001 0.000 0.394 288 S C -0.247 174.345 174.600 -0.013 0.000 0.923 288 S CA -0.052 58.140 58.200 -0.014 0.000 1.291 288 S CB -1.941 61.247 63.200 -0.019 0.000 0.914 288 S HN 0.740 nan 8.310 nan 0.000 0.545 289 L N 1.543 122.765 121.223 -0.002 0.000 2.453 289 L HA 0.227 4.568 4.340 0.001 0.000 0.272 289 L C 1.889 178.750 176.870 -0.014 0.000 1.182 289 L CA 0.848 55.689 54.840 0.002 0.000 0.858 289 L CB -0.155 41.920 42.059 0.027 0.000 1.120 289 L HN 0.533 nan 8.230 nan 0.000 0.474 290 T N 1.285 115.824 114.554 -0.024 0.000 2.781 290 T HA 0.080 4.431 4.350 0.001 0.000 0.252 290 T C 0.865 175.542 174.700 -0.037 0.000 1.039 290 T CA 0.821 62.899 62.100 -0.036 0.000 1.147 290 T CB -0.191 68.649 68.868 -0.047 0.000 0.865 290 T HN 0.739 nan 8.240 nan 0.000 0.423 291 G N 0.709 109.483 108.800 -0.043 0.000 2.507 291 G HA2 0.325 4.285 3.960 0.001 0.000 0.271 291 G HA3 0.325 4.285 3.960 0.001 0.000 0.271 291 G C 0.683 175.561 174.900 -0.037 0.000 1.189 291 G CA -0.509 44.561 45.100 -0.051 0.000 0.859 291 G HN 0.008 nan 8.290 nan 0.000 0.542 292 K N 0.356 120.734 120.400 -0.038 0.000 2.026 292 K HA -0.072 4.248 4.320 0.001 0.000 0.208 292 K C 2.722 179.314 176.600 -0.013 0.000 1.048 292 K CA 0.877 57.151 56.287 -0.022 0.000 0.929 292 K CB -0.126 32.360 32.500 -0.023 0.000 0.713 292 K HN 0.283 nan 8.250 nan 0.000 0.439 293 R N 1.057 121.534 120.500 -0.039 0.000 2.091 293 R HA -0.108 4.233 4.340 0.001 0.000 0.238 293 R C 2.208 178.515 176.300 0.012 0.000 1.136 293 R CA 0.779 56.857 56.100 -0.036 0.000 0.959 293 R CB -0.839 29.392 30.300 -0.115 0.000 0.856 293 R HN 0.135 nan 8.270 nan 0.000 0.437 294 L N 0.115 121.326 121.223 -0.019 0.000 2.005 294 L HA -0.042 4.299 4.340 0.001 0.000 0.207 294 L C 1.821 178.777 176.870 0.144 0.000 1.072 294 L CA 1.636 56.515 54.840 0.066 0.000 0.744 294 L CB -0.611 41.448 42.059 -0.000 0.000 0.895 294 L HN 0.159 nan 8.230 nan 0.000 0.433 295 L N -0.776 120.485 121.223 0.063 0.000 2.043 295 L HA -0.296 4.044 4.340 0.001 0.000 0.212 295 L C 2.684 179.578 176.870 0.040 0.000 1.075 295 L CA 1.698 56.562 54.840 0.040 0.000 0.752 295 L CB -0.600 41.463 42.059 0.007 0.000 0.891 295 L HN 0.441 nan 8.230 nan 0.000 0.432 296 Q N -1.499 118.333 119.800 0.054 0.000 2.083 296 Q HA -0.242 4.099 4.340 0.001 0.000 0.198 296 Q C 2.031 178.087 176.000 0.093 0.000 0.969 296 Q CA 1.814 57.649 55.803 0.053 0.000 0.838 296 Q CB -0.220 28.548 28.738 0.050 0.000 0.900 296 Q HN 0.584 nan 8.270 nan 0.000 0.436 297 W N 1.418 122.710 121.300 -0.015 0.000 2.381 297 W HA -0.172 4.489 4.660 0.001 0.000 0.301 297 W C 2.215 178.761 176.519 0.045 0.000 1.205 297 W CA 1.281 58.632 57.345 0.009 0.000 1.285 297 W CB -0.083 29.371 29.460 -0.010 0.000 1.133 297 W HN 0.071 nan 8.180 nan 0.000 0.521 298 Q N 0.943 120.738 119.800 -0.008 0.000 2.050 298 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 298 Q C 2.201 178.090 176.000 -0.186 0.000 0.980 298 Q CA 2.298 57.979 55.803 -0.204 0.000 0.840 298 Q CB -0.833 27.927 28.738 0.036 0.000 0.898 298 Q HN 0.364 nan 8.270 nan 0.000 0.424 299 A N 0.633 123.395 122.820 -0.097 0.000 1.883 299 A HA -0.188 4.132 4.320 0.001 0.000 0.217 299 A C 2.292 179.806 177.584 -0.116 0.000 1.186 299 A CA 2.507 54.487 52.037 -0.094 0.000 0.624 299 A CB -0.773 18.179 19.000 -0.081 0.000 0.822 299 A HN 0.613 nan 8.150 nan 0.000 0.444 300 S N -0.777 114.839 115.700 -0.139 0.000 2.446 300 S HA -0.043 4.428 4.470 0.001 0.000 0.225 300 S C 1.158 175.671 174.600 -0.146 0.000 1.016 300 S CA 0.385 58.514 58.200 -0.119 0.000 0.943 300 S CB -1.758 61.403 63.200 -0.065 0.000 0.786 300 S HN 1.070 nan 8.310 nan 0.000 0.508 301 C N 2.157 121.263 119.300 -0.323 0.000 2.676 301 C HA 0.528 4.989 4.460 0.001 0.000 0.416 301 C C 0.225 175.188 174.990 -0.046 0.000 1.299 301 C CA -0.792 58.020 59.018 -0.345 0.000 2.048 301 C CB -0.442 26.741 27.740 -0.927 0.000 2.713 301 C HN 0.560 nan 8.230 nan 0.000 0.624 302 E N 3.318 123.511 120.200 -0.012 0.000 3.568 302 E HA 0.298 4.648 4.350 0.001 0.000 0.213 302 E C -2.181 174.451 176.600 0.054 0.000 1.197 302 E CA -1.022 55.417 56.400 0.066 0.000 1.126 302 E CB 0.451 30.177 29.700 0.043 0.000 1.285 302 E HN 0.728 nan 8.360 nan 0.000 0.418 303 P HA 0.041 nan 4.420 nan 0.000 0.277 303 P C 0.580 177.910 177.300 0.049 0.000 1.240 303 P CA -0.164 62.942 63.100 0.009 0.000 0.798 303 P CB 1.641 33.304 31.700 -0.062 0.000 0.979 304 E N 1.071 121.307 120.200 0.061 0.000 2.114 304 E HA -0.180 4.171 4.350 0.001 0.000 0.199 304 E C 0.028 176.675 176.600 0.078 0.000 1.008 304 E CA 1.293 57.767 56.400 0.124 0.000 0.810 304 E CB 0.274 30.130 29.700 0.260 0.000 0.739 304 E HN 0.500 nan 8.360 nan 0.000 0.456 305 E N -1.098 119.064 120.200 -0.064 0.000 2.317 305 E HA 0.217 4.567 4.350 0.001 0.000 0.270 305 E C -1.686 174.893 176.600 -0.034 0.000 0.885 305 E CA -0.727 55.639 56.400 -0.057 0.000 0.760 305 E CB 1.805 31.343 29.700 -0.269 0.000 1.227 305 E HN 0.118 nan 8.360 nan 0.000 0.434 306 Y N 1.647 121.977 120.300 0.049 0.000 2.338 306 Y HA 0.339 4.890 4.550 0.002 0.000 0.333 306 Y C -1.473 174.605 175.900 0.297 0.000 0.968 306 Y CA -0.773 57.336 58.100 0.014 0.000 1.123 306 Y CB 0.973 39.349 38.460 -0.140 0.000 1.165 306 Y HN 0.450 nan 8.280 nan 0.000 0.452 307 W N 7.296 128.469 121.300 -0.211 0.000 2.529 307 W HA 0.614 5.274 4.660 0.000 0.000 0.321 307 W C -1.191 175.261 176.519 -0.113 0.000 1.047 307 W CA -1.670 55.607 57.345 -0.113 0.000 1.216 307 W CB 1.125 30.496 29.460 -0.150 0.000 1.357 307 W HN 0.334 nan 8.180 nan 0.000 0.489 308 I N 3.609 124.263 120.570 0.140 0.000 2.382 308 I HA 0.299 4.469 4.170 0.001 0.000 0.286 308 I C -0.512 175.509 176.117 -0.160 0.000 1.002 308 I CA -1.039 60.274 61.300 0.021 0.000 1.135 308 I CB 1.375 39.426 38.000 0.086 0.000 1.288 308 I HN -0.112 nan 8.210 nan 0.000 0.448 309 V N 5.301 125.037 119.914 -0.297 0.000 2.328 309 V HA 0.487 4.608 4.120 0.001 0.000 0.278 309 V C -0.526 175.390 176.094 -0.297 0.000 1.021 309 V CA -0.223 61.781 62.300 -0.494 0.000 0.838 309 V CB 1.220 32.448 31.823 -0.993 0.000 0.999 309 V HN 0.649 nan 8.190 nan 0.000 0.447 310 D N 2.458 122.734 120.400 -0.205 0.000 2.654 310 D HA 0.246 4.886 4.640 0.001 0.000 0.231 310 D C -0.362 175.905 176.300 -0.055 0.000 1.239 310 D CA -0.428 53.505 54.000 -0.111 0.000 0.790 310 D CB 2.534 43.292 40.800 -0.069 0.000 1.480 310 D HN 0.588 nan 8.370 nan 0.000 0.442 311 D N 1.119 121.516 120.400 -0.006 0.000 2.325 311 D HA 0.106 4.747 4.640 0.001 0.000 0.234 311 D C 1.000 177.405 176.300 0.174 0.000 1.122 311 D CA -0.024 54.025 54.000 0.081 0.000 0.850 311 D CB -0.557 40.276 40.800 0.054 0.000 0.921 311 D HN 0.452 nan 8.370 nan 0.000 0.513 312 I N -2.823 117.800 120.570 0.088 0.000 2.918 312 I HA 0.525 4.696 4.170 0.001 0.000 0.316 312 I C 0.180 176.315 176.117 0.030 0.000 1.001 312 I CA -1.290 60.069 61.300 0.098 0.000 1.142 312 I CB 1.159 39.187 38.000 0.046 0.000 1.356 312 I HN -0.305 nan 8.210 nan 0.000 0.524 313 E N 0.825 121.026 120.200 0.003 0.000 2.243 313 E HA 0.676 5.027 4.350 0.001 0.000 0.260 313 E C -0.119 176.460 176.600 -0.034 0.000 0.985 313 E CA -0.469 55.896 56.400 -0.057 0.000 0.858 313 E CB 1.649 31.287 29.700 -0.103 0.000 1.210 313 E HN 1.066 nan 8.360 nan 0.000 0.411 314 G N 0.661 109.436 108.800 -0.041 0.000 2.710 314 G HA2 -0.221 3.739 3.960 0.001 0.000 0.668 314 G HA3 -0.221 3.739 3.960 0.001 0.000 0.668 314 G C -0.819 174.071 174.900 -0.018 0.000 1.320 314 G CA -0.862 44.223 45.100 -0.025 0.000 0.860 314 G HN 0.431 nan 8.290 nan 0.000 0.538 315 R N -0.782 119.715 120.500 -0.004 0.000 2.539 315 R HA 0.528 4.869 4.340 0.001 0.000 0.275 315 R C 0.745 177.041 176.300 -0.007 0.000 1.077 315 R CA -0.047 56.056 56.100 0.004 0.000 1.097 315 R CB 0.416 30.737 30.300 0.035 0.000 1.018 315 R HN 0.427 nan 8.270 nan 0.000 0.483 316 L N 0.619 121.832 121.223 -0.016 0.000 3.298 316 L HA 0.217 4.557 4.340 0.001 0.000 0.296 316 L C -0.259 176.577 176.870 -0.057 0.000 1.237 316 L CA -0.156 54.668 54.840 -0.027 0.000 1.038 316 L CB 0.624 42.675 42.059 -0.013 0.000 1.423 316 L HN 0.493 nan 8.230 nan 0.000 0.605 317 D N 1.831 122.173 120.400 -0.097 0.000 2.427 317 D HA 0.260 4.901 4.640 0.001 0.000 0.226 317 D C -1.886 174.192 176.300 -0.370 0.000 1.076 317 D CA -1.891 51.985 54.000 -0.206 0.000 0.849 317 D CB 1.934 42.605 40.800 -0.215 0.000 1.052 317 D HN -0.100 nan 8.370 nan 0.000 0.515 318 P HA 0.168 nan 4.420 nan 0.000 0.249 318 P C 0.290 177.185 177.300 -0.675 0.000 1.241 318 P CA 0.203 63.020 63.100 -0.470 0.000 0.781 318 P CB 0.532 32.106 31.700 -0.210 0.000 1.088 319 A N -1.278 121.172 122.820 -0.618 0.000 2.469 319 A HA 0.125 4.445 4.320 0.001 0.000 0.245 319 A C 0.164 177.452 177.584 -0.494 0.000 1.221 319 A CA -0.257 51.480 52.037 -0.499 0.000 0.946 319 A CB -0.786 17.993 19.000 -0.368 0.000 1.049 319 A HN 0.215 nan 8.150 nan 0.000 0.529 320 H N 0.535 119.485 119.070 -0.200 0.000 2.592 320 H HA -0.185 4.371 4.556 -0.000 0.000 0.323 320 H C -0.668 174.551 175.328 -0.181 0.000 1.117 320 H CA 1.037 56.995 56.048 -0.150 0.000 1.120 320 H CB -2.211 27.480 29.762 -0.119 0.000 1.561 320 H HN 0.741 nan 8.280 nan 0.000 0.409 321 H N 0.430 119.418 119.070 -0.136 0.000 2.707 321 H HA 0.174 4.731 4.556 0.002 0.000 0.359 321 H C 1.186 176.517 175.328 0.006 0.000 1.113 321 H CA -0.316 55.678 56.048 -0.089 0.000 1.422 321 H CB 0.602 30.264 29.762 -0.168 0.000 1.443 321 H HN 0.336 nan 8.280 nan 0.000 0.591 322 R N 1.755 122.343 120.500 0.146 0.000 2.504 322 R HA 0.212 4.553 4.340 0.001 0.000 0.291 322 R C 0.246 176.655 176.300 0.181 0.000 0.974 322 R CA 1.093 57.272 56.100 0.132 0.000 1.077 322 R CB -0.362 30.005 30.300 0.112 0.000 0.926 322 R HN 0.950 nan 8.270 nan 0.000 0.407 323 G N 3.312 112.203 108.800 0.151 0.000 2.566 323 G HA2 0.140 4.101 3.960 0.001 0.000 0.138 323 G HA3 0.140 4.101 3.960 0.001 0.000 0.138 323 G C -1.478 173.461 174.900 0.065 0.000 1.133 323 G CA -0.836 44.374 45.100 0.183 0.000 1.037 323 G HN 0.507 nan 8.290 nan 0.000 0.491 324 R N -0.257 120.258 120.500 0.024 0.000 2.621 324 R HA 0.679 5.020 4.340 0.001 0.000 0.284 324 R C -1.299 174.943 176.300 -0.097 0.000 0.998 324 R CA -0.998 54.996 56.100 -0.176 0.000 0.895 324 R CB 2.631 32.548 30.300 -0.638 0.000 1.195 324 R HN 0.467 nan 8.270 nan 0.000 0.450 325 R N 3.193 123.631 120.500 -0.104 0.000 2.352 325 R HA 0.352 4.693 4.340 0.001 0.000 0.304 325 R C -1.382 174.844 176.300 -0.122 0.000 1.104 325 R CA -0.298 55.753 56.100 -0.082 0.000 0.991 325 R CB 0.228 30.504 30.300 -0.040 0.000 1.140 325 R HN 0.572 nan 8.270 nan 0.000 0.540 326 L N 5.606 126.724 121.223 -0.175 0.000 2.280 326 L HA 0.520 4.861 4.340 0.001 0.000 0.287 326 L C -0.405 176.363 176.870 -0.170 0.000 1.023 326 L CA -1.023 53.703 54.840 -0.190 0.000 0.819 326 L CB 1.371 43.255 42.059 -0.292 0.000 1.212 326 L HN 0.451 nan 8.230 nan 0.000 0.420 327 I N 3.816 124.330 120.570 -0.093 0.000 2.291 327 I HA 0.607 4.777 4.170 0.001 0.000 0.292 327 I C 0.321 176.434 176.117 -0.007 0.000 1.064 327 I CA 0.370 61.633 61.300 -0.061 0.000 1.269 327 I CB 1.019 38.973 38.000 -0.077 0.000 1.418 327 I HN 0.700 nan 8.210 nan 0.000 0.485 328 A N 5.453 128.268 122.820 -0.007 0.000 2.594 328 A HA 0.394 4.715 4.320 0.001 0.000 0.296 328 A C -0.690 176.918 177.584 0.039 0.000 1.061 328 A CA -0.875 51.198 52.037 0.059 0.000 0.689 328 A CB 1.077 20.169 19.000 0.153 0.000 1.280 328 A HN 0.568 nan 8.150 nan 0.000 0.406 329 N N 1.825 120.567 118.700 0.070 0.000 2.447 329 N HA 0.054 4.794 4.740 0.001 0.000 0.263 329 N C 0.898 176.442 175.510 0.055 0.000 1.226 329 N CA 0.028 53.105 53.050 0.045 0.000 0.906 329 N CB 0.420 38.933 38.487 0.044 0.000 1.060 329 N HN 0.568 nan 8.380 nan 0.000 0.468 330 I N 3.711 124.283 120.570 0.004 0.000 2.163 330 I HA -0.316 3.854 4.170 0.001 0.000 0.243 330 I C 2.365 178.496 176.117 0.023 0.000 1.085 330 I CA 1.502 62.793 61.300 -0.015 0.000 1.347 330 I CB -0.337 37.618 38.000 -0.075 0.000 1.044 330 I HN 0.680 nan 8.210 nan 0.000 0.408 331 A N 0.511 123.336 122.820 0.008 0.000 1.908 331 A HA -0.263 4.058 4.320 0.001 0.000 0.218 331 A C 1.967 179.566 177.584 0.025 0.000 1.181 331 A CA 2.266 54.306 52.037 0.004 0.000 0.627 331 A CB -0.658 18.343 19.000 0.003 0.000 0.818 331 A HN 0.372 nan 8.150 nan 0.000 0.445 332 D N -1.622 118.810 120.400 0.053 0.000 2.097 332 D HA -0.172 4.468 4.640 0.001 0.000 0.195 332 D C 1.598 177.953 176.300 0.092 0.000 0.989 332 D CA 1.233 55.270 54.000 0.062 0.000 0.827 332 D CB -0.515 40.329 40.800 0.074 0.000 0.966 332 D HN 0.728 nan 8.370 nan 0.000 0.456 333 W N 1.493 122.766 121.300 -0.046 0.000 2.338 333 W HA -0.117 4.544 4.660 0.002 0.000 0.304 333 W C 2.100 178.590 176.519 -0.049 0.000 1.212 333 W CA 1.126 58.463 57.345 -0.012 0.000 1.264 333 W CB -0.301 29.099 29.460 -0.099 0.000 1.142 333 W HN -0.074 nan 8.180 nan 0.000 0.512 334 L N 0.027 121.275 121.223 0.041 0.000 2.083 334 L HA -0.206 4.134 4.340 0.001 0.000 0.209 334 L C 2.357 179.147 176.870 -0.133 0.000 1.083 334 L CA 1.597 56.302 54.840 -0.225 0.000 0.752 334 L CB -0.816 41.061 42.059 -0.303 0.000 0.899 334 L HN 0.024 nan 8.230 nan 0.000 0.433 335 E N -0.132 120.026 120.200 -0.070 0.000 2.106 335 E HA -0.225 4.125 4.350 0.001 0.000 0.192 335 E C 2.079 178.624 176.600 -0.092 0.000 0.984 335 E CA 0.856 57.234 56.400 -0.037 0.000 0.806 335 E CB -0.018 29.670 29.700 -0.020 0.000 0.750 335 E HN 0.260 nan 8.360 nan 0.000 0.458 336 L N 0.118 121.219 121.223 -0.203 0.000 2.313 336 L HA -0.062 4.278 4.340 0.001 0.000 0.214 336 L C 0.170 176.578 176.870 -0.770 0.000 1.119 336 L CA 1.488 56.088 54.840 -0.401 0.000 0.809 336 L CB 0.115 41.931 42.059 -0.404 0.000 0.933 336 L HN 0.044 nan 8.230 nan 0.000 0.449 337 H N -0.571 118.177 119.070 -0.536 0.000 2.379 337 H HA 0.338 4.895 4.556 0.001 0.000 0.229 337 H C -2.427 172.892 175.328 -0.016 0.000 1.423 337 H CA -2.224 53.407 56.048 -0.696 0.000 1.375 337 H CB -0.217 28.388 29.762 -1.928 0.000 1.592 337 H HN 0.101 nan 8.280 nan 0.000 0.507 338 P HA 0.110 nan 4.420 nan 0.000 0.269 338 P C 0.206 177.827 177.300 0.535 0.000 1.215 338 P CA -0.155 63.203 63.100 0.430 0.000 0.780 338 P CB 1.151 32.993 31.700 0.238 0.000 0.898 339 A N 1.787 124.804 122.820 0.329 0.000 2.313 339 A HA 0.321 4.641 4.320 0.001 0.000 0.261 339 A C 0.244 177.720 177.584 -0.180 0.000 1.090 339 A CA -0.264 51.694 52.037 -0.131 0.000 0.807 339 A CB 0.072 18.805 19.000 -0.444 0.000 1.055 339 A HN 0.671 nan 8.150 nan 0.000 0.492 340 E N 0.859 120.857 120.200 -0.337 0.000 2.272 340 E HA 0.297 4.647 4.350 0.001 0.000 0.269 340 E C -0.887 175.549 176.600 -0.273 0.000 0.877 340 E CA -0.727 55.497 56.400 -0.292 0.000 0.755 340 E CB 1.173 30.646 29.700 -0.378 0.000 1.192 340 E HN 0.586 nan 8.360 nan 0.000 0.422 341 K N 4.070 124.357 120.400 -0.188 0.000 2.447 341 K HA 0.092 4.413 4.320 0.001 0.000 0.281 341 K C -0.695 175.814 176.600 -0.150 0.000 1.031 341 K CA 0.231 56.424 56.287 -0.156 0.000 1.019 341 K CB 0.444 32.881 32.500 -0.104 0.000 0.918 341 K HN 0.449 nan 8.250 nan 0.000 0.476 342 R N 3.020 123.434 120.500 -0.143 0.000 2.707 342 R HA 0.066 4.406 4.340 0.001 0.000 0.272 342 R C -1.204 175.066 176.300 -0.049 0.000 1.011 342 R CA -1.053 54.987 56.100 -0.100 0.000 0.893 342 R CB 1.363 31.591 30.300 -0.119 0.000 1.233 342 R HN 0.615 nan 8.270 nan 0.000 0.464 343 Q N 2.725 122.516 119.800 -0.015 0.000 2.255 343 Q HA 0.152 4.492 4.340 0.001 0.000 0.280 343 Q C -2.168 173.868 176.000 0.060 0.000 1.068 343 Q CA -0.900 54.908 55.803 0.008 0.000 0.911 343 Q CB 0.475 29.220 28.738 0.012 0.000 1.157 343 Q HN 0.131 nan 8.270 nan 0.000 0.380 344 P HA -0.121 nan 4.420 nan 0.000 0.261 344 P C -0.048 177.286 177.300 0.057 0.000 1.173 344 P CA 0.237 63.346 63.100 0.014 0.000 0.760 344 P CB 0.181 31.835 31.700 -0.077 0.000 0.783 345 W N 2.462 123.771 121.300 0.015 0.000 2.942 345 W HA 0.132 4.792 4.660 0.000 0.000 0.263 345 W C -0.809 175.688 176.519 -0.036 0.000 1.296 345 W CA -0.122 57.215 57.345 -0.014 0.000 1.504 345 W CB -1.040 28.408 29.460 -0.019 0.000 1.096 345 W HN 0.050 nan 8.180 nan 0.000 0.639 346 C N 2.588 121.509 119.300 -0.633 0.000 2.527 346 C HA 0.300 4.761 4.460 0.001 0.000 0.396 346 C C 1.826 176.640 174.990 -0.295 0.000 1.289 346 C CA -0.329 58.335 59.018 -0.590 0.000 2.047 346 C CB 1.462 28.711 27.740 -0.818 0.000 2.568 346 C HN 0.182 nan 8.230 nan 0.000 0.573 347 V N 2.259 122.046 119.914 -0.212 0.000 2.950 347 V HA -0.001 4.120 4.120 0.001 0.000 0.231 347 V C 2.108 178.103 176.094 -0.166 0.000 1.205 347 V CA 0.844 63.058 62.300 -0.144 0.000 1.239 347 V CB -0.490 31.289 31.823 -0.073 0.000 1.050 347 V HN 0.930 nan 8.190 nan 0.000 0.498 348 E N 0.363 120.463 120.200 -0.167 0.000 2.250 348 E HA 0.020 4.371 4.350 0.001 0.000 0.192 348 E C 2.141 178.587 176.600 -0.256 0.000 0.986 348 E CA 0.678 56.977 56.400 -0.168 0.000 0.849 348 E CB -0.052 29.581 29.700 -0.110 0.000 0.797 348 E HN 0.513 nan 8.360 nan 0.000 0.482 349 I N 2.050 122.410 120.570 -0.350 0.000 2.127 349 I HA -0.207 3.963 4.170 0.001 0.000 0.241 349 I C -0.470 175.274 176.117 -0.621 0.000 1.075 349 I CA 1.435 62.389 61.300 -0.575 0.000 1.334 349 I CB -1.256 36.330 38.000 -0.689 0.000 1.040 349 I HN 0.084 nan 8.210 nan 0.000 0.405 350 P HA -0.190 nan 4.420 nan 0.000 0.216 350 P C 1.582 178.702 177.300 -0.301 0.000 1.153 350 P CA 1.562 64.442 63.100 -0.367 0.000 0.858 350 P CB -0.101 31.442 31.700 -0.262 0.000 0.789 351 R N -0.625 119.728 120.500 -0.245 0.000 2.081 351 R HA -0.076 4.265 4.340 0.001 0.000 0.235 351 R C 2.325 178.515 176.300 -0.183 0.000 1.131 351 R CA 1.237 57.231 56.100 -0.177 0.000 0.960 351 R CB -0.933 29.286 30.300 -0.135 0.000 0.856 351 R HN 0.152 nan 8.270 nan 0.000 0.436 352 L N -0.357 120.722 121.223 -0.240 0.000 2.046 352 L HA -0.143 4.198 4.340 0.001 0.000 0.208 352 L C 2.591 179.321 176.870 -0.235 0.000 1.077 352 L CA 1.278 55.998 54.840 -0.200 0.000 0.747 352 L CB -0.498 41.445 42.059 -0.193 0.000 0.896 352 L HN 0.304 nan 8.230 nan 0.000 0.432 353 A N -0.292 122.229 122.820 -0.498 0.000 1.933 353 A HA -0.273 4.047 4.320 0.001 0.000 0.218 353 A C 2.253 179.764 177.584 -0.122 0.000 1.175 353 A CA 1.980 53.764 52.037 -0.421 0.000 0.628 353 A CB -0.496 18.129 19.000 -0.625 0.000 0.814 353 A HN 0.505 nan 8.150 nan 0.000 0.444 354 E N -0.356 119.761 120.200 -0.139 0.000 2.047 354 E HA -0.238 4.113 4.350 0.001 0.000 0.191 354 E C 2.157 178.735 176.600 -0.036 0.000 0.987 354 E CA 1.290 57.646 56.400 -0.073 0.000 0.799 354 E CB -0.203 29.446 29.700 -0.084 0.000 0.752 354 E HN 0.745 nan 8.360 nan 0.000 0.449 355 Q N 0.449 120.223 119.800 -0.044 0.000 2.170 355 Q HA -0.064 4.277 4.340 0.001 0.000 0.203 355 Q C 1.005 177.012 176.000 0.011 0.000 0.976 355 Q CA 0.729 56.522 55.803 -0.018 0.000 0.858 355 Q CB -0.172 28.553 28.738 -0.021 0.000 0.907 355 Q HN 0.261 nan 8.270 nan 0.000 0.433 359 A N 0.886 123.700 122.820 -0.010 0.000 1.948 359 A HA -0.139 4.181 4.320 0.001 0.000 0.220 359 A C 1.991 179.547 177.584 -0.046 0.000 1.177 359 A CA 2.006 54.034 52.037 -0.015 0.000 0.636 359 A CB -0.503 18.501 19.000 0.006 0.000 0.815 359 A HN 0.175 nan 8.150 nan 0.000 0.449 360 V N -0.115 119.762 119.914 -0.062 0.000 2.323 360 V HA -0.201 3.920 4.120 0.001 0.000 0.244 360 V C 2.386 178.289 176.094 -0.319 0.000 1.041 360 V CA 1.760 63.969 62.300 -0.152 0.000 1.025 360 V CB -0.637 31.128 31.823 -0.098 0.000 0.656 360 V HN 0.567 nan 8.190 nan 0.000 0.451 361 I N 0.956 121.385 120.570 -0.236 0.000 2.264 361 I HA -0.246 3.924 4.170 0.001 0.000 0.248 361 I C 2.556 178.585 176.117 -0.146 0.000 1.111 361 I CA 1.491 62.663 61.300 -0.212 0.000 1.382 361 I CB -0.555 37.432 38.000 -0.022 0.000 1.060 361 I HN 0.292 nan 8.210 nan 0.000 0.418 362 A N 0.128 122.891 122.820 -0.094 0.000 2.234 362 A HA -0.132 4.188 4.320 0.001 0.000 0.216 362 A C 2.012 179.562 177.584 -0.057 0.000 1.167 362 A CA 1.308 53.310 52.037 -0.058 0.000 0.698 362 A CB -0.364 18.614 19.000 -0.037 0.000 0.779 362 A HN 0.342 nan 8.150 nan 0.000 0.475 363 R N -1.013 119.429 120.500 -0.097 0.000 2.596 363 R HA 0.079 4.420 4.340 0.001 0.000 0.369 363 R C 1.276 177.534 176.300 -0.071 0.000 1.042 363 R CA 0.372 56.433 56.100 -0.065 0.000 1.120 363 R CB 0.173 30.434 30.300 -0.066 0.000 1.353 363 R HN 0.788 nan 8.270 nan 0.000 0.564 364 R N -0.204 120.226 120.500 -0.117 0.000 2.189 364 R HA 0.003 4.343 4.340 0.001 0.000 0.223 364 R C 0.585 176.895 176.300 0.018 0.000 1.092 364 R CA 1.060 57.098 56.100 -0.104 0.000 0.989 364 R CB -0.023 30.204 30.300 -0.121 0.000 0.876 364 R HN -0.049 nan 8.270 nan 0.000 0.457 365 D N 1.875 122.325 120.400 0.083 0.000 2.137 365 D HA 0.036 4.677 4.640 0.001 0.000 0.202 365 D C 0.636 177.236 176.300 0.500 0.000 0.970 365 D CA 1.012 55.148 54.000 0.226 0.000 0.837 365 D CB -0.205 40.686 40.800 0.150 0.000 0.981 365 D HN 0.343 nan 8.370 nan 0.000 0.475 366 A N 0.864 123.886 122.820 0.336 0.000 2.587 366 A HA -0.071 4.249 4.320 0.001 0.000 0.235 366 A C -0.195 177.652 177.584 0.439 0.000 1.044 366 A CA 0.030 52.257 52.037 0.317 0.000 0.754 366 A CB -0.364 18.745 19.000 0.181 0.000 0.968 366 A HN 0.139 nan 8.150 nan 0.000 0.509 367 F N 3.383 123.372 119.950 0.065 0.000 2.567 367 F HA 0.510 5.038 4.527 0.001 0.000 0.352 367 F C 0.792 176.492 175.800 -0.166 0.000 1.229 367 F CA 0.530 58.355 58.000 -0.291 0.000 1.228 367 F CB -0.223 38.454 39.000 -0.537 0.000 1.568 367 F HN 0.674 nan 8.300 nan 0.000 0.634 368 G N 3.348 111.992 108.800 -0.260 0.000 2.682 368 G HA2 0.220 4.180 3.960 0.001 0.000 0.290 368 G HA3 0.220 4.180 3.960 0.001 0.000 0.290 368 G C 0.128 174.946 174.900 -0.137 0.000 1.425 368 G CA -0.303 44.677 45.100 -0.199 0.000 0.807 368 G HN 0.411 nan 8.290 nan 0.000 0.482 369 E N -0.269 119.870 120.200 -0.101 0.000 2.085 369 E HA -0.125 4.225 4.350 0.001 0.000 0.194 369 E C 2.349 178.957 176.600 0.012 0.000 0.994 369 E CA 1.674 58.041 56.400 -0.056 0.000 0.801 369 E CB -0.230 29.443 29.700 -0.044 0.000 0.743 369 E HN 0.490 nan 8.360 nan 0.000 0.453 370 A N 1.043 123.879 122.820 0.027 0.000 1.917 370 A HA -0.294 4.026 4.320 0.001 0.000 0.219 370 A C 2.158 179.806 177.584 0.106 0.000 1.182 370 A CA 2.137 54.205 52.037 0.052 0.000 0.633 370 A CB -0.552 18.471 19.000 0.038 0.000 0.819 370 A HN 0.282 nan 8.150 nan 0.000 0.448 371 Q N -0.707 119.183 119.800 0.151 0.000 2.137 371 Q HA 0.108 4.448 4.340 0.001 0.000 0.198 371 Q C 2.067 178.259 176.000 0.320 0.000 0.960 371 Q CA 0.796 56.752 55.803 0.256 0.000 0.847 371 Q CB -0.332 28.646 28.738 0.400 0.000 0.915 371 Q HN 0.653 nan 8.270 nan 0.000 0.448 372 L N 0.030 121.428 121.223 0.291 0.000 1.990 372 L HA -0.274 4.067 4.340 0.001 0.000 0.213 372 L C 2.058 179.016 176.870 0.147 0.000 1.072 372 L CA 1.711 56.684 54.840 0.222 0.000 0.755 372 L CB -0.656 41.430 42.059 0.045 0.000 0.889 372 L HN 0.335 nan 8.230 nan 0.000 0.432 373 A N -0.529 122.354 122.820 0.104 0.000 1.873 373 A HA -0.367 3.954 4.320 0.001 0.000 0.218 373 A C 2.060 179.693 177.584 0.081 0.000 1.193 373 A CA 2.246 54.327 52.037 0.074 0.000 0.629 373 A CB -1.182 17.853 19.000 0.057 0.000 0.826 373 A HN 0.749 nan 8.150 nan 0.000 0.447 374 H N 0.596 119.683 119.070 0.028 0.000 2.422 374 H HA -0.074 4.483 4.556 0.001 0.000 0.298 374 H C 1.764 177.086 175.328 -0.009 0.000 1.098 374 H CA 1.922 57.973 56.048 0.005 0.000 1.315 374 H CB -0.007 29.754 29.762 -0.000 0.000 1.382 374 H HN 0.554 nan 8.280 nan 0.000 0.523 375 R N -0.221 120.217 120.500 -0.102 0.000 2.468 375 R HA 0.139 4.480 4.340 0.001 0.000 0.280 375 R C 1.421 177.736 176.300 0.025 0.000 0.963 375 R CA 0.298 56.303 56.100 -0.158 0.000 1.083 375 R CB -0.381 29.863 30.300 -0.094 0.000 1.200 375 R HN 0.251 nan 8.270 nan 0.000 0.541 376 I N 1.583 122.195 120.570 0.070 0.000 2.381 376 I HA -0.335 3.836 4.170 0.001 0.000 0.255 376 I C 1.807 177.944 176.117 0.034 0.000 1.140 376 I CA 1.116 62.508 61.300 0.153 0.000 1.404 376 I CB -0.131 37.908 38.000 0.065 0.000 1.075 376 I HN 0.323 nan 8.210 nan 0.000 0.433 377 C N 0.576 119.799 119.300 -0.129 0.000 2.396 377 C HA -0.235 4.226 4.460 0.001 0.000 0.277 377 C C 2.277 177.087 174.990 -0.301 0.000 1.231 377 C CA 1.479 60.354 59.018 -0.239 0.000 1.775 377 C CB -1.386 26.203 27.740 -0.253 0.000 2.036 377 C HN 0.544 nan 8.230 nan 0.000 0.484 378 D N -1.049 119.119 120.400 -0.387 0.000 2.263 378 D HA -0.089 4.552 4.640 0.001 0.000 0.208 378 D C 1.234 177.035 176.300 -0.831 0.000 0.971 378 D CA 1.292 54.889 54.000 -0.670 0.000 0.867 378 D CB -0.218 40.012 40.800 -0.951 0.000 0.929 378 D HN 0.660 nan 8.370 nan 0.000 0.492 379 Y N -0.425 119.705 120.300 -0.283 0.000 2.481 379 Y HA 0.287 4.837 4.550 0.001 0.000 0.247 379 Y C 0.662 176.431 175.900 -0.219 0.000 1.151 379 Y CA -0.445 57.395 58.100 -0.434 0.000 1.238 379 Y CB 0.160 38.166 38.460 -0.757 0.000 1.179 379 Y HN -0.214 nan 8.280 nan 0.000 0.524 380 L N 5.170 126.293 121.223 -0.166 0.000 2.477 380 L HA 0.127 4.468 4.340 0.001 0.000 0.272 380 L C -2.019 174.628 176.870 -0.371 0.000 1.157 380 L CA -1.724 52.959 54.840 -0.262 0.000 0.889 380 L CB 0.156 41.859 42.059 -0.594 0.000 1.158 380 L HN -0.074 nan 8.230 nan 0.000 0.473 381 P HA 0.024 nan 4.420 nan 0.000 0.268 381 P C -0.457 176.652 177.300 -0.318 0.000 1.204 381 P CA -0.268 62.275 63.100 -0.928 0.000 0.768 381 P CB 0.683 31.539 31.700 -1.408 0.000 0.842 382 E N 2.420 122.450 120.200 -0.284 0.000 2.417 382 E HA -0.057 4.294 4.350 0.001 0.000 0.261 382 E C 0.290 176.846 176.600 -0.072 0.000 1.000 382 E CA 0.287 56.626 56.400 -0.103 0.000 0.919 382 E CB -0.066 29.578 29.700 -0.094 0.000 0.955 382 E HN 0.261 nan 8.360 nan 0.000 0.455 383 Q N 0.516 120.304 119.800 -0.020 0.000 2.494 383 Q HA -0.191 4.150 4.340 0.001 0.000 0.266 383 Q C 0.072 176.003 176.000 -0.115 0.000 1.053 383 Q CA 1.126 56.888 55.803 -0.068 0.000 1.029 383 Q CB -1.940 26.769 28.738 -0.048 0.000 1.423 383 Q HN 0.741 nan 8.270 nan 0.000 0.516 384 G N 0.089 108.811 108.800 -0.130 0.000 2.940 384 G HA2 0.654 4.615 3.960 0.001 0.000 0.164 384 G HA3 0.654 4.615 3.960 0.001 0.000 0.164 384 G C -0.227 174.517 174.900 -0.260 0.000 1.326 384 G CA 0.152 45.179 45.100 -0.122 0.000 1.020 384 G HN 0.199 nan 8.290 nan 0.000 0.586 385 Q N -1.542 118.247 119.800 -0.017 0.000 2.426 385 Q HA 0.553 4.893 4.340 0.001 0.000 0.278 385 Q C -2.055 174.137 176.000 0.320 0.000 1.007 385 Q CA -0.937 54.898 55.803 0.052 0.000 0.850 385 Q CB 2.081 30.935 28.738 0.194 0.000 1.427 385 Q HN 0.501 nan 8.270 nan 0.000 0.391 386 L N 2.101 123.545 121.223 0.367 0.000 2.309 386 L HA 0.657 4.998 4.340 0.001 0.000 0.282 386 L C -1.686 175.393 176.870 0.348 0.000 1.036 386 L CA -0.495 54.542 54.840 0.329 0.000 0.806 386 L CB 1.307 43.512 42.059 0.243 0.000 1.220 386 L HN 0.724 nan 8.230 nan 0.000 0.429 387 F N 5.762 125.831 119.950 0.197 0.000 2.427 387 F HA 0.624 5.152 4.527 0.001 0.000 0.348 387 F C -0.902 174.959 175.800 0.101 0.000 1.125 387 F CA -0.701 57.397 58.000 0.162 0.000 0.989 387 F CB 1.340 40.416 39.000 0.127 0.000 1.165 387 F HN 0.234 nan 8.300 nan 0.000 0.442 388 V N 6.135 125.728 119.914 -0.535 0.000 2.394 388 V HA 0.593 4.714 4.120 0.001 0.000 0.282 388 V C 0.870 176.683 176.094 -0.469 0.000 1.031 388 V CA -0.519 61.581 62.300 -0.333 0.000 0.881 388 V CB 0.687 32.375 31.823 -0.225 0.000 0.982 388 V HN 0.921 nan 8.190 nan 0.000 0.451 389 G N 3.535 112.254 108.800 -0.136 0.000 2.631 389 G HA2 0.212 4.173 3.960 0.001 0.000 0.271 389 G HA3 0.212 4.173 3.960 0.001 0.000 0.271 389 G C -0.039 174.811 174.900 -0.084 0.000 1.302 389 G CA -0.474 44.602 45.100 -0.040 0.000 1.002 389 G HN 0.649 nan 8.290 nan 0.000 0.519 390 N N -1.553 117.120 118.700 -0.044 0.000 2.566 390 N HA 0.493 5.234 4.740 0.001 0.000 0.299 390 N C 0.779 176.260 175.510 -0.048 0.000 1.277 390 N CA 0.185 53.203 53.050 -0.053 0.000 0.965 390 N CB 1.328 39.789 38.487 -0.043 0.000 1.142 390 N HN 0.671 nan 8.380 nan 0.000 0.596 391 S N -1.030 114.634 115.700 -0.060 0.000 4.120 391 S HA -0.235 4.236 4.470 0.001 0.000 0.625 391 S C 0.996 175.550 174.600 -0.077 0.000 1.925 391 S CA 0.767 58.919 58.200 -0.081 0.000 4.213 391 S CB -1.362 61.795 63.200 -0.070 0.000 0.206 391 S HN 0.408 nan 8.310 nan 0.000 0.523 392 L N 1.942 123.124 121.223 -0.068 0.000 2.072 392 L HA 0.148 4.488 4.340 0.001 0.000 0.205 392 L C 2.633 179.478 176.870 -0.042 0.000 1.079 392 L CA 2.348 57.154 54.840 -0.057 0.000 0.752 392 L CB -0.975 41.056 42.059 -0.047 0.000 0.906 392 L HN 0.597 nan 8.230 nan 0.000 0.436 393 V N -1.154 118.738 119.914 -0.036 0.000 2.231 393 V HA -0.304 3.817 4.120 0.001 0.000 0.248 393 V C 2.493 178.565 176.094 -0.037 0.000 1.054 393 V CA 2.312 64.594 62.300 -0.029 0.000 1.015 393 V CB -0.306 31.503 31.823 -0.023 0.000 0.638 393 V HN 0.298 nan 8.190 nan 0.000 0.444 394 V N 0.075 119.956 119.914 -0.054 0.000 2.392 394 V HA -0.280 3.841 4.120 0.001 0.000 0.249 394 V C 2.694 178.756 176.094 -0.054 0.000 1.059 394 V CA 2.761 65.022 62.300 -0.065 0.000 1.051 394 V CB -0.697 31.074 31.823 -0.086 0.000 0.658 394 V HN 0.635 nan 8.190 nan 0.000 0.455 395 R N -0.930 119.539 120.500 -0.051 0.000 2.120 395 R HA -0.025 4.315 4.340 0.001 0.000 0.234 395 R C 2.178 178.457 176.300 -0.036 0.000 1.123 395 R CA 1.676 57.747 56.100 -0.047 0.000 0.975 395 R CB -0.198 30.071 30.300 -0.052 0.000 0.866 395 R HN 0.495 nan 8.270 nan 0.000 0.446 396 L N -0.363 120.844 121.223 -0.026 0.000 2.249 396 L HA -0.007 4.333 4.340 0.001 0.000 0.207 396 L C 2.013 178.884 176.870 0.003 0.000 1.090 396 L CA 0.697 55.532 54.840 -0.008 0.000 0.802 396 L CB -0.059 42.000 42.059 0.001 0.000 0.947 396 L HN 0.182 nan 8.230 nan 0.000 0.453 397 I N -0.164 120.401 120.570 -0.009 0.000 2.406 397 I HA -0.234 3.936 4.170 0.001 0.000 0.249 397 I C 2.023 178.129 176.117 -0.018 0.000 1.122 397 I CA 1.196 62.490 61.300 -0.010 0.000 1.431 397 I CB -0.181 37.807 38.000 -0.021 0.000 1.087 397 I HN 0.243 nan 8.210 nan 0.000 0.424 398 D N 1.171 121.554 120.400 -0.029 0.000 2.144 398 D HA -0.144 4.497 4.640 0.001 0.000 0.200 398 D C 2.162 178.442 176.300 -0.033 0.000 0.978 398 D CA 1.373 55.351 54.000 -0.036 0.000 0.833 398 D CB 0.205 40.977 40.800 -0.048 0.000 0.961 398 D HN 0.282 nan 8.370 nan 0.000 0.470 399 A N -0.425 122.379 122.820 -0.027 0.000 1.930 399 A HA 0.100 4.421 4.320 0.001 0.000 0.215 399 A C 2.057 179.650 177.584 0.014 0.000 1.176 399 A CA 0.789 52.811 52.037 -0.024 0.000 0.632 399 A CB -0.253 18.731 19.000 -0.027 0.000 0.819 399 A HN 0.355 nan 8.150 nan 0.000 0.445 400 L N -0.686 120.562 121.223 0.042 0.000 2.672 400 L HA 0.188 4.528 4.340 0.001 0.000 0.236 400 L C 0.666 177.633 176.870 0.163 0.000 1.092 400 L CA 0.332 55.238 54.840 0.110 0.000 0.887 400 L CB 0.141 42.273 42.059 0.122 0.000 1.168 400 L HN 0.358 nan 8.230 nan 0.000 0.502 401 S N -0.971 114.757 115.700 0.047 0.000 2.677 401 S HA 0.460 4.930 4.470 0.001 0.000 0.304 401 S C -0.631 173.947 174.600 -0.037 0.000 1.108 401 S CA -0.653 57.522 58.200 -0.040 0.000 0.944 401 S CB 2.364 65.485 63.200 -0.132 0.000 1.127 401 S HN 0.120 nan 8.310 nan 0.000 0.511 402 Q N 1.245 121.002 119.800 -0.071 0.000 2.413 402 Q HA 0.453 4.793 4.340 0.001 0.000 0.258 402 Q C -1.379 174.576 176.000 -0.075 0.000 1.037 402 Q CA -0.483 55.291 55.803 -0.049 0.000 0.764 402 Q CB 0.465 29.181 28.738 -0.037 0.000 1.217 402 Q HN 0.705 nan 8.270 nan 0.000 0.490 403 L N 4.946 126.131 121.223 -0.063 0.000 2.439 403 L HA 0.375 4.715 4.340 0.001 0.000 0.269 403 L C -1.974 174.863 176.870 -0.056 0.000 1.179 403 L CA -1.988 52.805 54.840 -0.078 0.000 0.828 403 L CB 0.216 42.243 42.059 -0.053 0.000 1.106 403 L HN 0.481 nan 8.230 nan 0.000 0.467 404 P HA 0.024 nan 4.420 nan 0.000 0.266 404 P C -0.630 176.686 177.300 0.026 0.000 1.195 404 P CA -0.220 62.864 63.100 -0.027 0.000 0.768 404 P CB 0.585 32.265 31.700 -0.033 0.000 0.838 405 A N 3.230 126.060 122.820 0.016 0.000 2.520 405 A HA 0.418 4.739 4.320 0.001 0.000 0.245 405 A C 1.608 179.212 177.584 0.034 0.000 1.072 405 A CA 0.731 52.781 52.037 0.021 0.000 0.761 405 A CB -1.293 17.716 19.000 0.014 0.000 1.004 405 A HN 0.874 nan 8.150 nan 0.000 0.499 406 G N 0.569 109.381 108.800 0.021 0.000 2.205 406 G HA2 -0.307 3.653 3.960 0.001 0.000 0.261 406 G HA3 -0.307 3.653 3.960 0.001 0.000 0.261 406 G C 0.189 175.087 174.900 -0.005 0.000 0.980 406 G CA 0.752 45.853 45.100 0.001 0.000 0.632 406 G HN 1.365 nan 8.290 nan 0.000 0.533 407 Y N 3.157 123.417 120.300 -0.067 0.000 2.486 407 Y HA 0.500 5.051 4.550 0.001 0.000 0.348 407 Y C -1.827 174.010 175.900 -0.105 0.000 1.000 407 Y CA -2.046 56.008 58.100 -0.076 0.000 1.253 407 Y CB 1.040 39.455 38.460 -0.075 0.000 1.140 407 Y HN 0.070 nan 8.280 nan 0.000 0.526 408 P HA 0.016 nan 4.420 nan 0.000 0.264 408 P C -1.166 175.953 177.300 -0.302 0.000 1.193 408 P CA 0.295 63.172 63.100 -0.372 0.000 0.763 408 P CB 0.806 32.305 31.700 -0.335 0.000 0.810 409 V N 4.887 124.523 119.914 -0.462 0.000 2.735 409 V HA 0.511 4.631 4.120 0.001 0.000 0.310 409 V C -0.685 175.034 176.094 -0.625 0.000 1.061 409 V CA -0.444 61.658 62.300 -0.329 0.000 0.913 409 V CB 1.518 33.249 31.823 -0.153 0.000 1.005 409 V HN 0.422 nan 8.190 nan 0.000 0.428 410 Y N 1.230 121.519 120.300 -0.018 0.000 2.581 410 Y HA 0.793 5.343 4.550 0.001 0.000 0.345 410 Y C 0.220 175.910 175.900 -0.350 0.000 1.036 410 Y CA -0.667 57.411 58.100 -0.037 0.000 1.042 410 Y CB 2.565 41.126 38.460 0.169 0.000 1.289 410 Y HN 0.741 nan 8.280 nan 0.000 0.471 411 S N 0.029 115.656 115.700 -0.122 0.000 2.611 411 S HA 0.475 4.946 4.470 0.001 0.000 0.268 411 S C -1.830 172.738 174.600 -0.054 0.000 1.156 411 S CA -1.177 56.793 58.200 -0.383 0.000 0.817 411 S CB 1.547 64.580 63.200 -0.279 0.000 1.122 411 S HN 0.499 nan 8.310 nan 0.000 0.466 412 N N 0.421 119.101 118.700 -0.032 0.000 3.194 412 N HA 0.427 5.168 4.740 0.001 0.000 0.271 412 N C -0.081 175.426 175.510 -0.005 0.000 1.308 412 N CA -0.303 52.781 53.050 0.056 0.000 1.042 412 N CB 0.751 39.316 38.487 0.130 0.000 1.310 412 N HN 0.442 nan 8.380 nan 0.000 0.502 413 R N -0.362 120.126 120.500 -0.020 0.000 2.432 413 R HA 0.343 4.683 4.340 0.001 0.000 0.260 413 R C 1.558 177.845 176.300 -0.022 0.000 0.935 413 R CA -0.140 55.939 56.100 -0.034 0.000 1.080 413 R CB -0.030 30.240 30.300 -0.050 0.000 1.155 413 R HN 0.455 nan 8.270 nan 0.000 0.531 414 G N -0.545 108.247 108.800 -0.013 0.000 2.551 414 G HA2 -0.116 3.844 3.960 0.001 0.000 0.214 414 G HA3 -0.116 3.844 3.960 0.001 0.000 0.214 414 G C 1.115 176.004 174.900 -0.018 0.000 1.250 414 G CA 0.594 45.686 45.100 -0.014 0.000 0.825 414 G HN 0.326 nan 8.290 nan 0.000 0.549 415 A N -0.689 122.117 122.820 -0.023 0.000 2.218 415 A HA 0.430 4.751 4.320 0.001 0.000 0.209 415 A C 1.642 179.212 177.584 -0.022 0.000 1.168 415 A CA 1.319 53.339 52.037 -0.029 0.000 0.804 415 A CB -0.207 18.762 19.000 -0.052 0.000 0.834 415 A HN 0.867 nan 8.150 nan 0.000 0.482 416 S N -1.234 114.454 115.700 -0.020 0.000 3.473 416 S HA -0.159 4.312 4.470 0.001 0.000 0.339 416 S C 0.908 175.493 174.600 -0.025 0.000 1.148 416 S CA 0.405 58.592 58.200 -0.023 0.000 0.969 416 S CB -2.026 61.159 63.200 -0.025 0.000 0.936 416 S HN 1.431 nan 8.310 nan 0.000 0.530 417 G N 0.758 109.539 108.800 -0.031 0.000 2.554 417 G HA2 0.402 4.363 3.960 0.001 0.000 0.238 417 G HA3 0.402 4.363 3.960 0.001 0.000 0.238 417 G C 0.748 175.584 174.900 -0.106 0.000 1.259 417 G CA -0.101 44.959 45.100 -0.066 0.000 0.843 417 G HN 0.863 nan 8.290 nan 0.000 0.582 418 I N -1.346 119.118 120.570 -0.176 0.000 3.941 418 I HA 0.252 4.423 4.170 0.001 0.000 0.335 418 I C 0.734 176.547 176.117 -0.507 0.000 1.402 418 I CA -0.231 60.954 61.300 -0.192 0.000 1.112 418 I CB 0.620 38.604 38.000 -0.026 0.000 1.043 418 I HN 0.351 nan 8.210 nan 0.000 0.395 419 D N 1.214 121.154 120.400 -0.765 0.000 2.350 419 D HA 0.081 4.722 4.640 0.001 0.000 0.213 419 D C 1.338 177.176 176.300 -0.770 0.000 1.031 419 D CA 0.628 53.889 54.000 -1.232 0.000 0.861 419 D CB 0.508 40.648 40.800 -1.100 0.000 0.926 419 D HN 0.436 nan 8.370 nan 0.000 0.520 420 G N 0.326 108.661 108.800 -0.776 0.000 4.908 420 G HA2 0.234 4.195 3.960 0.001 0.000 0.267 420 G HA3 0.234 4.195 3.960 0.001 0.000 0.267 420 G C 1.014 175.636 174.900 -0.463 0.000 0.958 420 G CA -0.297 44.188 45.100 -1.025 0.000 0.743 420 G HN 0.120 nan 8.290 nan 0.000 0.410 421 L N 0.076 121.152 121.223 -0.244 0.000 2.044 421 L HA 0.054 4.394 4.340 0.001 0.000 0.205 421 L C 2.752 179.494 176.870 -0.215 0.000 1.075 421 L CA 0.981 55.779 54.840 -0.071 0.000 0.747 421 L CB -0.295 41.818 42.059 0.089 0.000 0.903 421 L HN 0.211 nan 8.230 nan 0.000 0.435 422 L N -0.478 120.632 121.223 -0.189 0.000 1.994 422 L HA -0.178 4.162 4.340 0.001 0.000 0.208 422 L C 2.880 179.577 176.870 -0.289 0.000 1.071 422 L CA 1.696 56.406 54.840 -0.218 0.000 0.745 422 L CB -1.012 40.954 42.059 -0.155 0.000 0.892 422 L HN 0.382 nan 8.230 nan 0.000 0.431 423 S N -1.321 114.213 115.700 -0.277 0.000 2.399 423 S HA -0.163 4.308 4.470 0.001 0.000 0.231 423 S C 1.914 176.343 174.600 -0.284 0.000 1.022 423 S CA 1.623 59.649 58.200 -0.290 0.000 0.983 423 S CB -0.819 62.222 63.200 -0.265 0.000 0.803 423 S HN 0.362 nan 8.310 nan 0.000 0.480 424 T N 2.853 117.232 114.554 -0.292 0.000 2.701 424 T HA 0.069 4.419 4.350 0.001 0.000 0.263 424 T C 2.296 176.654 174.700 -0.571 0.000 1.040 424 T CA 1.381 63.284 62.100 -0.328 0.000 1.147 424 T CB -0.920 67.835 68.868 -0.189 0.000 0.865 424 T HN 0.611 nan 8.240 nan 0.000 0.426 425 A N 1.777 124.075 122.820 -0.871 0.000 1.903 425 A HA -0.061 4.260 4.320 0.001 0.000 0.219 425 A C 2.657 179.994 177.584 -0.412 0.000 1.191 425 A CA 2.318 53.865 52.037 -0.816 0.000 0.638 425 A CB -1.347 17.268 19.000 -0.642 0.000 0.823 425 A HN 0.535 nan 8.150 nan 0.000 0.451 426 A N -0.755 121.865 122.820 -0.334 0.000 1.873 426 A HA 0.001 4.322 4.320 0.001 0.000 0.218 426 A C 2.494 179.926 177.584 -0.253 0.000 1.193 426 A CA 2.358 54.247 52.037 -0.246 0.000 0.629 426 A CB -1.546 17.305 19.000 -0.248 0.000 0.826 426 A HN 0.923 nan 8.150 nan 0.000 0.447 427 G N -1.164 107.453 108.800 -0.306 0.000 2.422 427 G HA2 -0.008 3.952 3.960 0.001 0.000 0.218 427 G HA3 -0.008 3.952 3.960 0.001 0.000 0.218 427 G C 1.475 176.184 174.900 -0.319 0.000 1.140 427 G CA 1.048 45.941 45.100 -0.344 0.000 0.775 427 G HN 0.328 nan 8.290 nan 0.000 0.545 428 V N 1.399 121.124 119.914 -0.316 0.000 2.295 428 V HA -0.244 3.876 4.120 0.001 0.000 0.246 428 V C 2.955 178.907 176.094 -0.238 0.000 1.049 428 V CA 2.509 64.615 62.300 -0.323 0.000 1.024 428 V CB -0.318 31.313 31.823 -0.320 0.000 0.648 428 V HN 0.641 nan 8.190 nan 0.000 0.447 429 Q N 0.685 120.384 119.800 -0.168 0.000 2.123 429 Q HA -0.175 4.165 4.340 0.001 0.000 0.199 429 Q C 2.089 178.043 176.000 -0.077 0.000 0.966 429 Q CA 1.776 57.532 55.803 -0.079 0.000 0.845 429 Q CB -0.545 28.179 28.738 -0.024 0.000 0.907 429 Q HN 0.470 nan 8.270 nan 0.000 0.439 430 R N 0.283 120.711 120.500 -0.120 0.000 2.096 430 R HA 0.028 4.368 4.340 0.001 0.000 0.235 430 R C 2.356 178.598 176.300 -0.098 0.000 1.127 430 R CA 1.498 57.544 56.100 -0.092 0.000 0.968 430 R CB -0.660 29.559 30.300 -0.134 0.000 0.861 430 R HN 0.460 nan 8.270 nan 0.000 0.440 431 A N 0.422 123.129 122.820 -0.187 0.000 1.851 431 A HA -0.224 4.096 4.320 0.001 0.000 0.216 431 A C 2.153 179.730 177.584 -0.012 0.000 1.195 431 A CA 2.208 54.173 52.037 -0.119 0.000 0.622 431 A CB -0.872 18.026 19.000 -0.170 0.000 0.831 431 A HN 0.466 nan 8.150 nan 0.000 0.444 432 S N -1.913 113.759 115.700 -0.047 0.000 2.436 432 S HA 0.300 4.770 4.470 0.001 0.000 0.228 432 S C 1.683 176.292 174.600 0.016 0.000 1.014 432 S CA 1.335 59.530 58.200 -0.009 0.000 0.950 432 S CB -0.572 62.618 63.200 -0.016 0.000 0.784 432 S HN 2.069 nan 8.310 nan 0.000 0.504 433 G N 1.236 110.047 108.800 0.018 0.000 2.168 433 G HA2 -0.283 3.678 3.960 0.001 0.000 0.263 433 G HA3 -0.283 3.678 3.960 0.001 0.000 0.263 433 G C 0.008 174.931 174.900 0.037 0.000 0.977 433 G CA 0.543 45.664 45.100 0.035 0.000 0.659 433 G HN 0.608 nan 8.290 nan 0.000 0.533 434 K N 1.351 121.767 120.400 0.028 0.000 2.185 434 K HA 0.388 4.709 4.320 0.001 0.000 0.271 434 K C -2.174 174.462 176.600 0.061 0.000 1.013 434 K CA -1.662 54.642 56.287 0.028 0.000 0.943 434 K CB 1.101 33.605 32.500 0.005 0.000 0.998 434 K HN 0.051 nan 8.250 nan 0.000 0.468 435 P HA -0.019 nan 4.420 nan 0.000 0.264 435 P C -0.851 176.527 177.300 0.131 0.000 1.193 435 P CA 0.133 63.310 63.100 0.129 0.000 0.763 435 P CB 0.512 32.226 31.700 0.024 0.000 0.810 436 T N 4.091 118.824 114.554 0.298 0.000 2.824 436 T HA 0.399 4.749 4.350 0.001 0.000 0.282 436 T C -0.419 174.578 174.700 0.496 0.000 0.993 436 T CA -0.430 61.851 62.100 0.301 0.000 0.967 436 T CB 0.964 69.956 68.868 0.207 0.000 0.960 436 T HN 0.205 nan 8.240 nan 0.000 0.441 437 L N 3.715 125.219 121.223 0.467 0.000 2.272 437 L HA 0.808 5.148 4.340 0.001 0.000 0.289 437 L C -0.504 176.585 176.870 0.365 0.000 1.032 437 L CA -0.483 54.663 54.840 0.510 0.000 0.810 437 L CB 0.368 42.737 42.059 0.516 0.000 1.205 437 L HN 0.754 nan 8.230 nan 0.000 0.422 438 A N 6.675 129.676 122.820 0.302 0.000 2.319 438 A HA 0.683 5.003 4.320 0.001 0.000 0.310 438 A C -0.982 176.727 177.584 0.207 0.000 1.152 438 A CA -0.491 51.722 52.037 0.294 0.000 0.783 438 A CB 0.745 19.875 19.000 0.217 0.000 1.184 438 A HN 0.816 nan 8.150 nan 0.000 0.474 439 I N 2.958 123.644 120.570 0.193 0.000 2.474 439 I HA 0.799 4.970 4.170 0.001 0.000 0.294 439 I C -1.441 174.724 176.117 0.080 0.000 1.005 439 I CA -0.814 60.548 61.300 0.103 0.000 1.113 439 I CB 1.716 39.763 38.000 0.078 0.000 1.289 439 I HN 0.484 nan 8.210 nan 0.000 0.436 440 V N 5.649 125.578 119.914 0.025 0.000 3.147 440 V HA 0.703 4.823 4.120 0.001 0.000 0.306 440 V C 0.225 176.300 176.094 -0.032 0.000 1.209 440 V CA -0.225 62.082 62.300 0.011 0.000 1.023 440 V CB 2.197 34.030 31.823 0.017 0.000 1.059 440 V HN 0.899 nan 8.190 nan 0.000 0.435 441 G N 1.398 110.189 108.800 -0.016 0.000 2.599 441 G HA2 0.294 4.255 3.960 0.001 0.000 0.264 441 G HA3 0.294 4.255 3.960 0.001 0.000 0.264 441 G C 0.656 175.544 174.900 -0.018 0.000 1.200 441 G CA 0.473 45.567 45.100 -0.010 0.000 0.896 441 G HN 0.879 nan 8.290 nan 0.000 0.536 442 D N -0.050 120.367 120.400 0.028 0.000 2.097 442 D HA -0.158 4.483 4.640 0.001 0.000 0.197 442 D C 2.378 178.801 176.300 0.205 0.000 0.984 442 D CA 0.830 54.897 54.000 0.111 0.000 0.826 442 D CB -0.286 40.654 40.800 0.234 0.000 0.973 442 D HN 0.343 nan 8.370 nan 0.000 0.460 443 L N 0.702 122.025 121.223 0.168 0.000 2.141 443 L HA -0.112 4.228 4.340 0.001 0.000 0.209 443 L C 2.759 179.752 176.870 0.205 0.000 1.094 443 L CA 0.798 55.748 54.840 0.184 0.000 0.763 443 L CB -0.368 41.792 42.059 0.168 0.000 0.908 443 L HN -0.003 nan 8.230 nan 0.000 0.437 444 S N 0.201 115.990 115.700 0.147 0.000 2.353 444 S HA -0.214 4.257 4.470 0.001 0.000 0.222 444 S C 2.225 176.892 174.600 0.111 0.000 1.035 444 S CA 1.408 59.677 58.200 0.115 0.000 1.025 444 S CB -0.308 62.920 63.200 0.046 0.000 0.902 444 S HN 0.519 nan 8.310 nan 0.000 0.440 445 A N 1.230 124.083 122.820 0.055 0.000 1.902 445 A HA -0.017 4.303 4.320 0.001 0.000 0.217 445 A C 2.160 179.866 177.584 0.203 0.000 1.181 445 A CA 1.195 53.238 52.037 0.009 0.000 0.623 445 A CB -0.769 18.030 19.000 -0.335 0.000 0.818 445 A HN 0.438 nan 8.150 nan 0.000 0.443 446 L N -2.337 119.080 121.223 0.323 0.000 2.017 446 L HA -0.225 4.116 4.340 0.001 0.000 0.208 446 L C 2.539 179.537 176.870 0.213 0.000 1.073 446 L CA 1.925 56.943 54.840 0.297 0.000 0.745 446 L CB -0.661 41.532 42.059 0.223 0.000 0.894 446 L HN 0.582 nan 8.230 nan 0.000 0.432 447 Y N 0.248 120.600 120.300 0.086 0.000 2.069 447 Y HA -0.344 4.207 4.550 0.000 0.000 0.278 447 Y C 1.596 177.511 175.900 0.025 0.000 1.175 447 Y CA 1.678 59.806 58.100 0.046 0.000 1.134 447 Y CB 0.146 38.620 38.460 0.024 0.000 0.965 447 Y HN 0.155 nan 8.280 nan 0.000 0.498 448 D N -0.205 120.337 120.400 0.236 0.000 2.895 448 D HA 0.045 4.685 4.640 0.001 0.000 0.258 448 D C 1.139 177.483 176.300 0.073 0.000 1.311 448 D CA -0.052 54.005 54.000 0.095 0.000 0.843 448 D CB -0.076 40.696 40.800 -0.047 0.000 1.055 448 D HN 0.242 nan 8.370 nan 0.000 0.486 449 L N 1.416 122.720 121.223 0.136 0.000 2.012 449 L HA -0.175 4.166 4.340 0.001 0.000 0.210 449 L C 1.726 178.646 176.870 0.084 0.000 1.073 449 L CA 1.829 56.758 54.840 0.149 0.000 0.748 449 L CB -0.742 41.440 42.059 0.205 0.000 0.891 449 L HN 0.233 nan 8.230 nan 0.000 0.431 450 N N 0.092 118.872 118.700 0.133 0.000 2.585 450 N HA -0.110 4.630 4.740 0.001 0.000 0.188 450 N C 1.486 176.983 175.510 -0.021 0.000 1.102 450 N CA 1.224 54.376 53.050 0.170 0.000 0.920 450 N CB -0.691 38.035 38.487 0.398 0.000 0.963 450 N HN 0.387 nan 8.380 nan 0.000 0.447 451 A N 0.074 122.830 122.820 -0.106 0.000 2.121 451 A HA 0.075 4.396 4.320 0.001 0.000 0.218 451 A C 1.885 179.284 177.584 -0.309 0.000 1.154 451 A CA 0.415 52.305 52.037 -0.244 0.000 0.679 451 A CB -0.499 18.364 19.000 -0.228 0.000 0.795 451 A HN 0.242 nan 8.150 nan 0.000 0.458 452 L N -0.336 120.656 121.223 -0.385 0.000 2.081 452 L HA -0.239 4.102 4.340 0.001 0.000 0.212 452 L C 2.917 179.390 176.870 -0.663 0.000 1.080 452 L CA 1.705 56.231 54.840 -0.523 0.000 0.754 452 L CB -1.269 40.426 42.059 -0.607 0.000 0.893 452 L HN 0.445 nan 8.230 nan 0.000 0.433 453 A N -0.555 121.768 122.820 -0.828 0.000 1.884 453 A HA -0.256 4.065 4.320 0.001 0.000 0.219 453 A C 2.321 179.885 177.584 -0.035 0.000 1.197 453 A CA 2.271 54.182 52.037 -0.209 0.000 0.637 453 A CB -0.923 18.254 19.000 0.295 0.000 0.827 453 A HN 0.435 nan 8.150 nan 0.000 0.450 454 L N -0.744 120.397 121.223 -0.138 0.000 2.141 454 L HA -0.087 4.253 4.340 0.001 0.000 0.209 454 L C 2.238 179.057 176.870 -0.086 0.000 1.094 454 L CA 0.564 55.327 54.840 -0.128 0.000 0.763 454 L CB -0.390 41.495 42.059 -0.290 0.000 0.908 454 L HN 0.359 nan 8.230 nan 0.000 0.437 455 L N -0.611 120.545 121.223 -0.112 0.000 2.465 455 L HA -0.121 4.220 4.340 0.001 0.000 0.224 455 L C 2.430 179.297 176.870 -0.006 0.000 1.145 455 L CA 0.591 55.390 54.840 -0.069 0.000 0.834 455 L CB -0.397 41.611 42.059 -0.085 0.000 0.944 455 L HN 0.224 nan 8.230 nan 0.000 0.451 456 R N -0.163 120.351 120.500 0.024 0.000 2.237 456 R HA -0.105 4.235 4.340 0.001 0.000 0.219 456 R C 0.800 177.138 176.300 0.063 0.000 1.080 456 R CA 0.623 56.766 56.100 0.072 0.000 0.995 456 R CB -0.002 30.372 30.300 0.124 0.000 0.875 456 R HN 0.228 nan 8.270 nan 0.000 0.462 457 Q N 0.366 120.194 119.800 0.047 0.000 2.454 457 Q HA 0.358 4.698 4.340 0.001 0.000 0.255 457 Q C -1.824 174.201 176.000 0.041 0.000 1.034 457 Q CA -0.353 55.482 55.803 0.054 0.000 0.736 457 Q CB 1.671 30.450 28.738 0.069 0.000 1.210 457 Q HN -0.113 nan 8.270 nan 0.000 0.500 458 V N 2.514 122.456 119.914 0.046 0.000 2.668 458 V HA 0.182 4.302 4.120 0.001 0.000 0.304 458 V C 0.642 176.771 176.094 0.059 0.000 1.071 458 V CA -0.101 62.225 62.300 0.044 0.000 0.894 458 V CB 2.101 33.946 31.823 0.038 0.000 1.008 458 V HN 0.911 nan 8.190 nan 0.000 0.425 459 S N 3.336 119.072 115.700 0.060 0.000 2.515 459 S HA 0.321 4.791 4.470 0.001 0.000 0.231 459 S C 0.587 175.231 174.600 0.073 0.000 0.987 459 S CA 0.630 58.870 58.200 0.066 0.000 0.936 459 S CB 0.187 63.427 63.200 0.067 0.000 0.766 459 S HN 1.338 nan 8.310 nan 0.000 0.528 460 A N 1.219 124.089 122.820 0.084 0.000 2.593 460 A HA 0.753 5.073 4.320 0.001 0.000 0.290 460 A C -3.142 174.532 177.584 0.150 0.000 1.126 460 A CA -2.156 49.949 52.037 0.113 0.000 0.695 460 A CB 0.581 19.648 19.000 0.111 0.000 1.290 460 A HN 0.140 nan 8.150 nan 0.000 0.414 461 P HA 0.194 nan 4.420 nan 0.000 0.262 461 P C -0.855 176.632 177.300 0.312 0.000 1.182 461 P CA 0.562 63.814 63.100 0.253 0.000 0.761 461 P CB 0.429 32.370 31.700 0.402 0.000 0.795 462 L N 4.614 125.942 121.223 0.175 0.000 2.349 462 L HA 0.391 4.731 4.340 0.001 0.000 0.278 462 L C -0.791 176.101 176.870 0.036 0.000 0.996 462 L CA -0.913 54.030 54.840 0.172 0.000 0.825 462 L CB 1.709 43.825 42.059 0.095 0.000 1.243 462 L HN 0.022 nan 8.230 nan 0.000 0.412 463 V N 5.773 125.709 119.914 0.037 0.000 2.407 463 V HA 0.302 4.422 4.120 0.001 0.000 0.278 463 V C -0.235 175.882 176.094 0.038 0.000 1.037 463 V CA -0.522 61.719 62.300 -0.099 0.000 0.900 463 V CB 1.534 33.195 31.823 -0.270 0.000 0.983 463 V HN 0.558 nan 8.190 nan 0.000 0.459 464 L N 7.584 128.792 121.223 -0.026 0.000 2.283 464 L HA 0.572 4.913 4.340 0.001 0.000 0.281 464 L C -0.328 176.516 176.870 -0.043 0.000 1.033 464 L CA 0.241 55.078 54.840 -0.006 0.000 0.848 464 L CB 0.629 42.672 42.059 -0.027 0.000 1.226 464 L HN 0.516 nan 8.230 nan 0.000 0.429 465 I N 5.570 126.135 120.570 -0.008 0.000 2.416 465 I HA 0.226 4.396 4.170 0.001 0.000 0.288 465 I C -0.394 175.684 176.117 -0.065 0.000 1.051 465 I CA -0.483 60.792 61.300 -0.041 0.000 1.375 465 I CB 1.245 39.248 38.000 0.005 0.000 1.407 465 I HN 0.274 nan 8.210 nan 0.000 0.516 466 V N 7.867 127.714 119.914 -0.112 0.000 2.311 466 V HA 0.180 4.301 4.120 0.001 0.000 0.275 466 V C 0.191 176.218 176.094 -0.112 0.000 1.022 466 V CA -0.697 61.496 62.300 -0.178 0.000 0.830 466 V CB 1.443 33.020 31.823 -0.410 0.000 1.012 466 V HN 0.381 nan 8.190 nan 0.000 0.452 467 V N 4.835 124.702 119.914 -0.079 0.000 2.439 467 V HA 0.187 4.307 4.120 0.001 0.000 0.271 467 V C 0.482 176.568 176.094 -0.014 0.000 1.040 467 V CA -0.058 62.214 62.300 -0.047 0.000 1.002 467 V CB 0.929 32.728 31.823 -0.041 0.000 1.000 467 V HN 0.868 nan 8.190 nan 0.000 0.477 468 N N 4.746 123.460 118.700 0.025 0.000 2.707 468 N HA 0.204 4.945 4.740 0.001 0.000 0.235 468 N C 0.295 175.837 175.510 0.053 0.000 1.028 468 N CA -0.630 52.466 53.050 0.077 0.000 0.906 468 N CB 0.651 39.232 38.487 0.156 0.000 1.131 468 N HN 0.685 nan 8.380 nan 0.000 0.509 469 N N 2.158 120.884 118.700 0.043 0.000 2.279 469 N HA 0.106 4.847 4.740 0.001 0.000 0.226 469 N C -0.430 175.106 175.510 0.044 0.000 1.126 469 N CA -0.411 52.661 53.050 0.036 0.000 0.846 469 N CB -0.343 38.160 38.487 0.026 0.000 1.050 469 N HN 0.337 nan 8.380 nan 0.000 0.502 470 N N 0.329 119.055 118.700 0.044 0.000 2.608 470 N HA -0.097 4.644 4.740 0.001 0.000 0.273 470 N C 0.004 175.546 175.510 0.054 0.000 1.133 470 N CA 1.434 54.504 53.050 0.033 0.000 0.726 470 N CB -1.264 37.232 38.487 0.015 0.000 0.890 470 N HN 0.950 nan 8.380 nan 0.000 0.548 471 G N -0.916 107.930 108.800 0.076 0.000 2.371 471 G HA2 0.384 4.345 3.960 0.001 0.000 0.663 471 G HA3 0.384 4.345 3.960 0.001 0.000 0.663 471 G C 0.172 175.152 174.900 0.134 0.000 1.311 471 G CA 0.045 45.207 45.100 0.104 0.000 0.985 471 G HN 0.993 nan 8.290 nan 0.000 0.566 472 G N -0.292 108.631 108.800 0.205 0.000 2.865 472 G HA2 0.436 4.396 3.960 0.001 0.000 0.292 472 G HA3 0.436 4.396 3.960 0.001 0.000 0.292 472 G C 0.844 175.867 174.900 0.206 0.000 0.800 472 G CA 0.062 45.307 45.100 0.243 0.000 1.838 472 G HN 0.524 nan 8.290 nan 0.000 0.535 473 Q N 1.612 121.464 119.800 0.086 0.000 2.488 473 Q HA -0.030 4.311 4.340 0.001 0.000 0.211 473 Q C 2.233 178.224 176.000 -0.015 0.000 0.967 473 Q CA 0.081 55.920 55.803 0.059 0.000 0.926 473 Q CB 0.052 28.812 28.738 0.037 0.000 0.992 473 Q HN 0.839 nan 8.270 nan 0.000 0.506 474 I N -0.237 120.248 120.570 -0.141 0.000 2.264 474 I HA -0.278 3.893 4.170 0.001 0.000 0.248 474 I C 1.171 177.127 176.117 -0.269 0.000 1.111 474 I CA 1.108 62.244 61.300 -0.273 0.000 1.382 474 I CB -0.020 37.722 38.000 -0.431 0.000 1.060 474 I HN 0.036 nan 8.210 nan 0.000 0.418 475 F N -0.138 119.853 119.950 0.068 0.000 2.641 475 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 475 F C 2.482 178.277 175.800 -0.008 0.000 1.146 475 F CA 0.497 58.530 58.000 0.056 0.000 1.464 475 F CB -0.471 38.635 39.000 0.176 0.000 1.101 475 F HN 0.003 nan 8.300 nan 0.000 0.585 476 S N 0.174 115.943 115.700 0.116 0.000 2.406 476 S HA -0.055 4.415 4.470 0.001 0.000 0.224 476 S C 1.933 176.545 174.600 0.020 0.000 1.030 476 S CA 0.378 58.612 58.200 0.058 0.000 0.958 476 S CB -0.205 63.027 63.200 0.052 0.000 0.811 476 S HN 0.320 nan 8.310 nan 0.000 0.489 477 L N 1.778 122.999 121.223 -0.003 0.000 2.072 477 L HA 0.230 4.571 4.340 0.001 0.000 0.205 477 L C 0.372 177.234 176.870 -0.013 0.000 1.079 477 L CA 1.305 56.135 54.840 -0.016 0.000 0.752 477 L CB -0.530 41.507 42.059 -0.036 0.000 0.906 477 L HN 0.192 nan 8.230 nan 0.000 0.436 478 L N 1.865 123.081 121.223 -0.011 0.000 2.426 478 L HA 0.186 4.527 4.340 0.001 0.000 0.271 478 L C -1.637 175.233 176.870 0.000 0.000 1.169 478 L CA -1.396 53.450 54.840 0.009 0.000 0.836 478 L CB 0.033 42.123 42.059 0.052 0.000 1.112 478 L HN 0.108 nan 8.230 nan 0.000 0.465 479 P HA 0.050 nan 4.420 nan 0.000 0.225 479 P C -0.159 177.103 177.300 -0.063 0.000 1.768 479 P CA -0.366 62.719 63.100 -0.025 0.000 0.943 479 P CB -0.700 30.994 31.700 -0.011 0.000 1.936 480 T N -0.523 113.955 114.554 -0.126 0.000 2.868 480 T HA 0.368 4.719 4.350 0.001 0.000 0.292 480 T C -2.035 172.525 174.700 -0.233 0.000 1.028 480 T CA -1.783 60.130 62.100 -0.311 0.000 1.059 480 T CB -0.178 68.267 68.868 -0.705 0.000 0.991 480 T HN 0.087 nan 8.240 nan 0.000 0.531 481 P HA 0.174 nan 4.420 nan 0.000 0.275 481 P C 0.455 177.716 177.300 -0.065 0.000 1.228 481 P CA -0.349 62.693 63.100 -0.095 0.000 0.786 481 P CB 1.071 32.745 31.700 -0.043 0.000 0.927 482 Q N 2.855 122.641 119.800 -0.023 0.000 1.993 482 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 482 Q C 1.862 177.880 176.000 0.030 0.000 0.984 482 Q CA 2.776 58.580 55.803 0.001 0.000 0.837 482 Q CB -1.034 27.708 28.738 0.006 0.000 0.902 482 Q HN 0.557 nan 8.270 nan 0.000 0.423 483 S N -0.397 115.328 115.700 0.043 0.000 2.603 483 S HA 0.001 4.471 4.470 0.001 0.000 0.220 483 S C 0.618 175.288 174.600 0.117 0.000 0.967 483 S CA 0.636 58.875 58.200 0.066 0.000 0.920 483 S CB -0.051 63.181 63.200 0.053 0.000 0.773 483 S HN 0.570 nan 8.310 nan 0.000 0.529 484 E N 0.772 121.062 120.200 0.149 0.000 2.641 484 E HA 0.203 4.554 4.350 0.001 0.000 0.224 484 E C 1.450 178.274 176.600 0.372 0.000 0.951 484 E CA -0.266 56.311 56.400 0.295 0.000 1.102 484 E CB -0.210 29.646 29.700 0.260 0.000 1.091 484 E HN 0.528 nan 8.360 nan 0.000 0.507 485 R N 1.987 122.612 120.500 0.209 0.000 2.061 485 R HA -0.087 4.253 4.340 0.001 0.000 0.230 485 R C 2.188 178.611 176.300 0.207 0.000 1.140 485 R CA 1.815 58.028 56.100 0.188 0.000 0.940 485 R CB -0.060 30.254 30.300 0.023 0.000 0.839 485 R HN 0.110 nan 8.270 nan 0.000 0.429 486 E N 0.175 120.450 120.200 0.125 0.000 2.085 486 E HA -0.268 4.083 4.350 0.001 0.000 0.194 486 E C 2.175 178.794 176.600 0.031 0.000 0.994 486 E CA 1.353 57.801 56.400 0.080 0.000 0.801 486 E CB -0.021 29.708 29.700 0.048 0.000 0.743 486 E HN 0.292 nan 8.360 nan 0.000 0.453 487 R N -0.963 119.540 120.500 0.004 0.000 2.062 487 R HA -0.069 4.272 4.340 0.001 0.000 0.229 487 R C 1.710 177.784 176.300 -0.377 0.000 1.128 487 R CA 1.313 57.281 56.100 -0.219 0.000 0.960 487 R CB -0.044 30.062 30.300 -0.323 0.000 0.855 487 R HN 0.149 nan 8.270 nan 0.000 0.432 488 F N -1.845 118.099 119.950 -0.010 0.000 2.695 488 F HA 0.200 4.730 4.527 0.006 0.000 0.303 488 F C 0.703 176.265 175.800 -0.397 0.000 1.091 488 F CA -0.081 57.822 58.000 -0.163 0.000 1.300 488 F CB 0.528 39.429 39.000 -0.164 0.000 1.071 488 F HN 0.014 nan 8.300 nan 0.000 0.578 489 Y N -0.930 119.317 120.300 -0.088 0.000 2.972 489 Y HA 0.303 4.852 4.550 -0.002 0.000 0.229 489 Y C 1.086 176.864 175.900 -0.203 0.000 0.980 489 Y CA -0.443 57.440 58.100 -0.362 0.000 1.475 489 Y CB -0.288 37.997 38.460 -0.292 0.000 1.459 489 Y HN -0.372 nan 8.280 nan 0.000 0.460 493 Q N 0.278 120.070 119.800 -0.013 0.000 2.247 493 Q HA 0.118 4.459 4.340 0.001 0.000 0.211 493 Q C -0.101 175.862 176.000 -0.062 0.000 0.861 493 Q CA -0.109 55.671 55.803 -0.038 0.000 0.949 493 Q CB 0.196 28.913 28.738 -0.034 0.000 1.115 493 Q HN 0.469 nan 8.270 nan 0.000 0.507 494 N N 0.790 119.453 118.700 -0.060 0.000 2.666 494 N HA -0.178 4.563 4.740 0.001 0.000 0.274 494 N C -0.851 174.588 175.510 -0.119 0.000 1.043 494 N CA 0.526 53.530 53.050 -0.076 0.000 0.782 494 N CB -0.974 37.492 38.487 -0.034 0.000 0.912 494 N HN 0.094 nan 8.380 nan 0.000 0.556 495 V N 0.675 120.448 119.914 -0.234 0.000 3.147 495 V HA 0.483 4.603 4.120 0.001 0.000 0.306 495 V C -0.514 175.264 176.094 -0.527 0.000 1.209 495 V CA -0.746 61.384 62.300 -0.284 0.000 1.023 495 V CB 2.584 34.236 31.823 -0.285 0.000 1.059 495 V HN 0.496 nan 8.190 nan 0.000 0.435 496 H N 2.571 121.508 119.070 -0.221 0.000 2.896 496 H HA 0.499 5.056 4.556 0.001 0.000 0.318 496 H C -0.880 174.212 175.328 -0.394 0.000 1.409 496 H CA -0.260 55.700 56.048 -0.148 0.000 1.328 496 H CB 1.923 31.683 29.762 -0.003 0.000 1.940 496 H HN 0.606 nan 8.280 nan 0.000 0.665 497 F N -0.611 119.410 119.950 0.119 0.000 2.746 497 F HA 0.098 4.625 4.527 0.000 0.000 0.320 497 F C 2.115 177.718 175.800 -0.327 0.000 1.097 497 F CA -0.116 57.894 58.000 0.017 0.000 1.195 497 F CB 0.526 39.609 39.000 0.138 0.000 1.056 497 F HN 0.567 nan 8.300 nan 0.000 0.562 498 E N 0.448 120.217 120.200 -0.717 0.000 2.086 498 E HA -0.293 4.058 4.350 0.001 0.000 0.205 498 E C 1.834 178.042 176.600 -0.653 0.000 1.027 498 E CA 2.137 57.672 56.400 -1.443 0.000 0.830 498 E CB -0.098 28.987 29.700 -1.025 0.000 0.751 498 E HN 0.412 nan 8.360 nan 0.000 0.456 499 H N -0.598 118.308 119.070 -0.273 0.000 2.389 499 H HA -0.008 4.548 4.556 0.001 0.000 0.299 499 H C 2.003 177.288 175.328 -0.071 0.000 1.081 499 H CA 1.228 57.185 56.048 -0.152 0.000 1.345 499 H CB -0.375 29.316 29.762 -0.119 0.000 1.393 499 H HN 0.356 nan 8.280 nan 0.000 0.520 500 A N 1.356 124.242 122.820 0.110 0.000 1.845 500 A HA -0.132 4.189 4.320 0.001 0.000 0.215 500 A C 2.747 180.493 177.584 0.271 0.000 1.195 500 A CA 2.039 54.214 52.037 0.230 0.000 0.616 500 A CB -1.092 18.101 19.000 0.321 0.000 0.832 500 A HN 0.420 nan 8.150 nan 0.000 0.443 501 A N 0.093 123.020 122.820 0.177 0.000 1.903 501 A HA 0.153 4.473 4.320 0.001 0.000 0.219 501 A C 1.870 179.531 177.584 0.128 0.000 1.191 501 A CA 1.966 54.105 52.037 0.169 0.000 0.638 501 A CB -1.466 17.616 19.000 0.136 0.000 0.823 501 A HN 1.403 nan 8.150 nan 0.000 0.451 505 E N 1.161 121.438 120.200 0.129 0.000 2.440 505 E HA -0.220 4.131 4.350 0.001 0.000 0.246 505 E C -0.599 176.066 176.600 0.108 0.000 1.165 505 E CA 0.528 56.983 56.400 0.092 0.000 0.726 505 E CB -1.395 28.351 29.700 0.076 0.000 1.271 505 E HN 0.406 nan 8.360 nan 0.000 0.397 506 L N 0.267 121.569 121.223 0.133 0.000 2.325 506 L HA 0.382 4.723 4.340 0.001 0.000 0.278 506 L C 0.583 177.511 176.870 0.096 0.000 1.023 506 L CA -0.862 54.045 54.840 0.113 0.000 0.811 506 L CB 1.193 43.330 42.059 0.130 0.000 1.249 506 L HN -0.061 nan 8.230 nan 0.000 0.431 507 K N 1.872 122.311 120.400 0.065 0.000 2.484 507 K HA 0.012 4.333 4.320 0.001 0.000 0.280 507 K C -1.316 175.325 176.600 0.068 0.000 1.013 507 K CA 0.260 56.568 56.287 0.035 0.000 1.029 507 K CB 0.292 32.807 32.500 0.026 0.000 0.902 507 K HN 0.466 nan 8.250 nan 0.000 0.481 508 Y N 4.635 124.837 120.300 -0.164 0.000 2.409 508 Y HA 0.355 4.905 4.550 0.001 0.000 0.343 508 Y C -0.961 174.716 175.900 -0.370 0.000 0.973 508 Y CA -0.604 57.407 58.100 -0.148 0.000 1.064 508 Y CB 1.167 39.580 38.460 -0.079 0.000 1.207 508 Y HN 0.666 nan 8.280 nan 0.000 0.452 509 H N 4.527 123.078 119.070 -0.865 0.000 2.894 509 H HA 0.511 5.067 4.556 0.001 0.000 0.368 509 H C -1.076 173.659 175.328 -0.988 0.000 1.181 509 H CA -1.173 54.436 56.048 -0.733 0.000 1.146 509 H CB 2.553 32.074 29.762 -0.403 0.000 1.839 509 H HN 0.644 nan 8.280 nan 0.000 0.557 510 R N 2.094 122.374 120.500 -0.368 0.000 2.754 510 R HA 0.211 4.551 4.340 0.001 0.000 0.255 510 R C -2.933 173.338 176.300 -0.048 0.000 1.723 510 R CA -1.389 54.600 56.100 -0.185 0.000 1.596 510 R CB 0.631 30.908 30.300 -0.038 0.000 1.424 510 R HN 0.349 nan 8.270 nan 0.000 0.662 511 P HA 0.048 nan 4.420 nan 0.000 0.268 511 P C -0.486 176.820 177.300 0.010 0.000 1.205 511 P CA 0.032 63.133 63.100 0.002 0.000 0.771 511 P CB 1.223 32.960 31.700 0.061 0.000 0.858 512 Q N 0.825 120.483 119.800 -0.237 0.000 2.214 512 Q HA 0.098 4.439 4.340 0.001 0.000 0.229 512 Q C -0.034 175.301 176.000 -1.108 0.000 0.835 512 Q CA -0.004 55.562 55.803 -0.396 0.000 0.953 512 Q CB 0.342 28.958 28.738 -0.203 0.000 1.131 512 Q HN 0.624 nan 8.270 nan 0.000 0.501 513 N N -2.756 115.157 118.700 -1.312 0.000 2.934 513 N HA 0.102 4.843 4.740 0.001 0.000 0.253 513 N C -0.632 174.327 175.510 -0.918 0.000 1.466 513 N CA -0.850 51.276 53.050 -1.541 0.000 0.858 513 N CB -0.345 37.770 38.487 -0.620 0.000 1.459 513 N HN -0.086 nan 8.380 nan 0.000 0.532 514 W N -0.852 120.339 121.300 -0.182 0.000 2.325 514 W HA -0.147 4.513 4.660 0.000 0.000 0.299 514 W C 2.238 178.829 176.519 0.120 0.000 1.215 514 W CA 1.255 58.719 57.345 0.199 0.000 1.244 514 W CB -0.171 29.424 29.460 0.226 0.000 1.140 514 W HN 0.668 nan 8.180 nan 0.000 0.523 515 Q N 1.201 121.120 119.800 0.198 0.000 2.050 515 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 515 Q C 1.752 177.808 176.000 0.092 0.000 0.980 515 Q CA 2.088 57.971 55.803 0.134 0.000 0.840 515 Q CB -0.479 28.298 28.738 0.064 0.000 0.898 515 Q HN 0.375 nan 8.270 nan 0.000 0.424 516 E N -0.480 119.723 120.200 0.004 0.000 2.150 516 E HA -0.155 4.195 4.350 0.001 0.000 0.193 516 E C 1.793 178.414 176.600 0.034 0.000 0.985 516 E CA 0.834 57.226 56.400 -0.013 0.000 0.814 516 E CB -0.135 29.512 29.700 -0.089 0.000 0.752 516 E HN 0.261 nan 8.360 nan 0.000 0.466 517 L N 1.305 122.610 121.223 0.138 0.000 2.141 517 L HA -0.133 4.207 4.340 0.001 0.000 0.209 517 L C 2.107 179.194 176.870 0.362 0.000 1.094 517 L CA 1.715 56.702 54.840 0.244 0.000 0.763 517 L CB -0.123 42.188 42.059 0.421 0.000 0.908 517 L HN -0.048 nan 8.230 nan 0.000 0.437 518 E N -1.315 119.094 120.200 0.348 0.000 2.107 518 E HA -0.148 4.202 4.350 0.001 0.000 0.191 518 E C 1.922 178.644 176.600 0.203 0.000 0.982 518 E CA 1.624 58.222 56.400 0.331 0.000 0.809 518 E CB -0.044 29.802 29.700 0.243 0.000 0.756 518 E HN 0.510 nan 8.360 nan 0.000 0.459 519 T N 0.066 114.679 114.554 0.098 0.000 2.857 519 T HA -0.061 4.289 4.350 0.001 0.000 0.266 519 T C 1.913 176.539 174.700 -0.124 0.000 1.048 519 T CA 0.991 63.101 62.100 0.017 0.000 1.139 519 T CB -0.366 68.510 68.868 0.014 0.000 0.874 519 T HN 0.283 nan 8.240 nan 0.000 0.455 520 A N 0.837 123.489 122.820 -0.280 0.000 1.940 520 A HA -0.033 4.287 4.320 0.001 0.000 0.219 520 A C 1.852 179.076 177.584 -0.600 0.000 1.176 520 A CA 1.350 52.914 52.037 -0.788 0.000 0.631 520 A CB -0.855 17.672 19.000 -0.789 0.000 0.814 520 A HN 0.477 nan 8.150 nan 0.000 0.446 521 F N -0.789 119.036 119.950 -0.209 0.000 2.619 521 F HA 0.255 4.782 4.527 0.001 0.000 0.293 521 F C 2.540 178.275 175.800 -0.107 0.000 1.119 521 F CA 0.196 58.092 58.000 -0.173 0.000 1.445 521 F CB -0.218 38.826 39.000 0.073 0.000 1.119 521 F HN 0.238 nan 8.300 nan 0.000 0.573 522 A N 0.393 123.288 122.820 0.124 0.000 1.917 522 A HA -0.218 4.103 4.320 0.001 0.000 0.219 522 A C 1.804 179.432 177.584 0.072 0.000 1.182 522 A CA 2.280 54.385 52.037 0.112 0.000 0.633 522 A CB -0.689 18.357 19.000 0.078 0.000 0.819 522 A HN 0.381 nan 8.150 nan 0.000 0.448 523 D N -0.205 120.191 120.400 -0.006 0.000 2.333 523 D HA 0.199 4.839 4.640 0.001 0.000 0.208 523 D C 1.790 178.055 176.300 -0.057 0.000 0.984 523 D CA 0.955 54.949 54.000 -0.010 0.000 0.873 523 D CB -0.393 40.403 40.800 -0.006 0.000 0.935 523 D HN 0.448 nan 8.370 nan 0.000 0.521 524 A N 0.318 123.019 122.820 -0.198 0.000 2.016 524 A HA -0.034 4.286 4.320 0.001 0.000 0.217 524 A C 1.403 178.773 177.584 -0.356 0.000 1.162 524 A CA 0.271 52.058 52.037 -0.416 0.000 0.662 524 A CB -0.793 17.732 19.000 -0.792 0.000 0.812 524 A HN 0.267 nan 8.150 nan 0.000 0.450 525 W N -0.874 120.512 121.300 0.143 0.000 3.330 525 W HA 0.316 4.976 4.660 0.001 0.000 0.348 525 W C 1.942 178.517 176.519 0.092 0.000 1.205 525 W CA -0.577 56.845 57.345 0.129 0.000 1.841 525 W CB 0.354 29.900 29.460 0.143 0.000 1.084 525 W HN 0.192 nan 8.180 nan 0.000 0.665 526 R N -0.547 120.093 120.500 0.233 0.000 2.087 526 R HA 0.068 4.409 4.340 0.001 0.000 0.216 526 R C 1.284 177.664 176.300 0.133 0.000 1.114 526 R CA 0.873 57.073 56.100 0.166 0.000 1.002 526 R CB -0.298 30.072 30.300 0.118 0.000 0.903 526 R HN -0.169 nan 8.270 nan 0.000 0.445 527 T N 2.077 116.697 114.554 0.110 0.000 2.867 527 T HA 0.277 4.628 4.350 0.001 0.000 0.282 527 T C -2.468 172.291 174.700 0.098 0.000 1.000 527 T CA -2.666 59.486 62.100 0.088 0.000 1.042 527 T CB 1.561 70.467 68.868 0.062 0.000 0.973 527 T HN -0.067 nan 8.240 nan 0.000 0.465 528 P HA 0.219 nan 4.420 nan 0.000 0.225 528 P C -0.409 176.937 177.300 0.077 0.000 1.768 528 P CA -0.191 62.965 63.100 0.093 0.000 0.943 528 P CB -0.927 30.822 31.700 0.081 0.000 1.936 529 T N -3.109 111.487 114.554 0.069 0.000 2.865 529 T HA 0.458 4.808 4.350 0.001 0.000 0.294 529 T C -0.270 174.451 174.700 0.036 0.000 1.119 529 T CA -0.632 61.500 62.100 0.052 0.000 1.007 529 T CB 1.108 70.003 68.868 0.046 0.000 1.225 529 T HN -0.153 nan 8.240 nan 0.000 0.515 530 T N 2.251 116.822 114.554 0.029 0.000 2.806 530 T HA 0.574 4.925 4.350 0.001 0.000 0.290 530 T C -0.368 174.328 174.700 -0.007 0.000 0.966 530 T CA -0.268 61.838 62.100 0.010 0.000 1.060 530 T CB 0.802 69.678 68.868 0.014 0.000 0.927 530 T HN 0.750 nan 8.240 nan 0.000 0.485 531 T N 3.027 117.546 114.554 -0.058 0.000 2.792 531 T HA 0.448 4.799 4.350 0.001 0.000 0.280 531 T C -0.134 174.521 174.700 -0.075 0.000 0.990 531 T CA -0.554 61.502 62.100 -0.073 0.000 0.960 531 T CB 1.166 69.924 68.868 -0.183 0.000 0.939 531 T HN 0.304 nan 8.240 nan 0.000 0.439 532 V N 5.092 125.008 119.914 0.004 0.000 2.432 532 V HA 0.440 4.561 4.120 0.001 0.000 0.275 532 V C -0.017 176.026 176.094 -0.084 0.000 1.043 532 V CA -0.603 61.708 62.300 0.017 0.000 0.925 532 V CB 0.822 32.760 31.823 0.191 0.000 0.985 532 V HN 0.777 nan 8.190 nan 0.000 0.466 533 I N 4.621 125.096 120.570 -0.158 0.000 2.382 533 I HA 0.426 4.597 4.170 0.001 0.000 0.285 533 I C 0.281 176.310 176.117 -0.148 0.000 1.007 533 I CA -0.249 60.911 61.300 -0.234 0.000 1.142 533 I CB 1.479 39.281 38.000 -0.330 0.000 1.289 533 I HN 0.698 nan 8.210 nan 0.000 0.453 537 V N 3.496 123.433 119.914 0.038 0.000 2.925 537 V HA 0.547 4.668 4.120 0.001 0.000 0.311 537 V C -0.311 175.800 176.094 0.027 0.000 1.104 537 V CA -1.017 61.286 62.300 0.006 0.000 0.954 537 V CB 2.732 34.526 31.823 -0.049 0.000 1.022 537 V HN 0.900 nan 8.190 nan 0.000 0.427 538 N N 3.193 121.910 118.700 0.029 0.000 2.411 538 N HA -0.026 4.715 4.740 0.001 0.000 0.261 538 N C 0.852 176.379 175.510 0.028 0.000 1.248 538 N CA 0.281 53.351 53.050 0.034 0.000 0.885 538 N CB 0.809 39.316 38.487 0.034 0.000 1.062 538 N HN 0.902 nan 8.380 nan 0.000 0.471 539 D N 1.252 121.671 120.400 0.033 0.000 2.191 539 D HA -0.230 4.411 4.640 0.001 0.000 0.190 539 D C 1.091 177.410 176.300 0.031 0.000 1.007 539 D CA 1.924 55.944 54.000 0.035 0.000 0.865 539 D CB -0.488 40.336 40.800 0.040 0.000 0.929 539 D HN 0.451 nan 8.370 nan 0.000 0.447 540 T N -1.299 113.272 114.554 0.029 0.000 3.040 540 T HA 0.051 4.401 4.350 0.001 0.000 0.250 540 T C 0.722 175.434 174.700 0.021 0.000 1.058 540 T CA 0.090 62.206 62.100 0.027 0.000 0.988 540 T CB -0.095 68.790 68.868 0.028 0.000 0.993 540 T HN -0.022 nan 8.240 nan 0.000 0.519 541 D N 1.107 121.518 120.400 0.020 0.000 2.117 541 D HA -0.006 4.635 4.640 0.001 0.000 0.197 541 D C 2.211 178.520 176.300 0.015 0.000 0.987 541 D CA 1.348 55.360 54.000 0.019 0.000 0.829 541 D CB -0.697 40.116 40.800 0.021 0.000 0.961 541 D HN 0.490 nan 8.370 nan 0.000 0.460 542 G N 1.018 109.823 108.800 0.009 0.000 2.545 542 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 542 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 542 G C 1.749 176.651 174.900 0.003 0.000 1.218 542 G CA 1.900 47.003 45.100 0.005 0.000 0.787 542 G HN 0.410 nan 8.290 nan 0.000 0.571 543 A N 0.149 122.970 122.820 0.001 0.000 1.892 543 A HA -0.193 4.128 4.320 0.001 0.000 0.218 543 A C 2.375 179.961 177.584 0.003 0.000 1.188 543 A CA 2.241 54.277 52.037 -0.003 0.000 0.631 543 A CB -0.548 18.451 19.000 -0.001 0.000 0.822 543 A HN 0.512 nan 8.150 nan 0.000 0.447 544 Q N -1.412 118.393 119.800 0.008 0.000 2.123 544 Q HA -0.104 4.237 4.340 0.001 0.000 0.199 544 Q C 2.214 178.221 176.000 0.011 0.000 0.966 544 Q CA 1.675 57.485 55.803 0.011 0.000 0.845 544 Q CB -0.346 28.400 28.738 0.014 0.000 0.907 544 Q HN 0.688 nan 8.270 nan 0.000 0.439 545 T N 1.723 116.284 114.554 0.012 0.000 2.720 545 T HA -0.156 4.195 4.350 0.001 0.000 0.268 545 T C 1.742 176.446 174.700 0.008 0.000 1.037 545 T CA 0.991 63.099 62.100 0.012 0.000 1.144 545 T CB -0.247 68.630 68.868 0.015 0.000 0.864 545 T HN 0.101 nan 8.240 nan 0.000 0.444 546 L N 1.204 122.429 121.223 0.005 0.000 1.994 546 L HA -0.076 4.265 4.340 0.001 0.000 0.208 546 L C 2.465 179.337 176.870 0.003 0.000 1.071 546 L CA 1.801 56.641 54.840 0.000 0.000 0.745 546 L CB -0.991 41.064 42.059 -0.007 0.000 0.892 546 L HN 0.243 nan 8.230 nan 0.000 0.431 547 Q N -0.973 118.829 119.800 0.004 0.000 2.112 547 Q HA -0.299 4.042 4.340 0.001 0.000 0.206 547 Q C 2.251 178.262 176.000 0.018 0.000 0.987 547 Q CA 2.480 58.289 55.803 0.009 0.000 0.858 547 Q CB -0.181 28.563 28.738 0.010 0.000 0.905 547 Q HN 0.651 nan 8.270 nan 0.000 0.420 548 Q N -0.077 119.733 119.800 0.018 0.000 2.079 548 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 548 Q C 2.109 178.125 176.000 0.026 0.000 0.974 548 Q CA 0.929 56.745 55.803 0.022 0.000 0.840 548 Q CB -0.023 28.724 28.738 0.015 0.000 0.898 548 Q HN 0.365 nan 8.270 nan 0.000 0.430 549 L N 0.101 121.335 121.223 0.018 0.000 2.131 549 L HA -0.199 4.142 4.340 0.001 0.000 0.210 549 L C 2.212 179.098 176.870 0.028 0.000 1.092 549 L CA 0.391 55.242 54.840 0.018 0.000 0.759 549 L CB -0.251 41.812 42.059 0.007 0.000 0.903 549 L HN 0.268 nan 8.230 nan 0.000 0.435 550 L N -0.028 121.209 121.223 0.022 0.000 1.976 550 L HA -0.189 4.152 4.340 0.001 0.000 0.209 550 L C 2.685 179.583 176.870 0.046 0.000 1.071 550 L CA 2.187 57.040 54.840 0.021 0.000 0.746 550 L CB -0.804 41.260 42.059 0.009 0.000 0.890 550 L HN 0.172 nan 8.230 nan 0.000 0.432 551 A N -1.414 121.445 122.820 0.064 0.000 1.908 551 A HA -0.304 4.016 4.320 0.001 0.000 0.218 551 A C 2.306 180.018 177.584 0.213 0.000 1.181 551 A CA 1.954 54.066 52.037 0.126 0.000 0.627 551 A CB -0.744 18.325 19.000 0.116 0.000 0.818 551 A HN 0.655 nan 8.150 nan 0.000 0.445 552 Q N -0.377 119.500 119.800 0.127 0.000 2.084 552 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 552 Q C 1.906 177.983 176.000 0.129 0.000 0.978 552 Q CA 1.917 57.789 55.803 0.115 0.000 0.844 552 Q CB -0.128 28.641 28.738 0.052 0.000 0.898 552 Q HN 0.449 nan 8.270 nan 0.000 0.426 553 V N 0.819 120.789 119.914 0.093 0.000 2.591 553 V HA -0.166 3.955 4.120 0.001 0.000 0.249 553 V C 2.308 178.442 176.094 0.066 0.000 1.053 553 V CA 1.596 63.943 62.300 0.080 0.000 1.068 553 V CB -0.253 31.615 31.823 0.076 0.000 0.689 553 V HN 0.489 nan 8.190 nan 0.000 0.462 554 S N -0.569 115.152 115.700 0.035 0.000 2.474 554 S HA -0.193 4.278 4.470 0.001 0.000 0.235 554 S C 1.578 176.082 174.600 -0.160 0.000 0.997 554 S CA 1.237 59.400 58.200 -0.063 0.000 0.949 554 S CB -0.575 62.552 63.200 -0.122 0.000 0.766 554 S HN 0.745 nan 8.310 nan 0.000 0.517 555 H N 0.371 119.455 119.070 0.022 0.000 2.553 555 H HA 0.454 5.011 4.556 0.001 0.000 0.265 555 H C 0.741 176.077 175.328 0.013 0.000 0.964 555 H CA -0.174 55.883 56.048 0.016 0.000 1.156 555 H CB -0.013 29.756 29.762 0.012 0.000 1.411 555 H HN 0.298 nan 8.280 nan 0.000 0.558 556 L N 0.000 121.279 121.223 0.093 0.000 2.949 556 L HA 0.000 4.341 4.340 0.001 0.000 0.249 556 L CA 0.000 54.874 54.840 0.057 0.000 0.813 556 L CB 0.000 42.083 42.059 0.040 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502