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 3hww_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTLLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGMFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLXXEMDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRMSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAMQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG XXXXXXXXXX XXXXXXXXXX XQNVHFEHAA DATA SEQUENCE AMFELKYHRP QNWQELETAF ADAWRTPTTT VIEMVVNDTD 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 0.000 174.628 174.600 0.046 0.000 1.055 2 S CA 0.000 58.214 58.200 0.024 0.000 1.107 2 S CB 0.000 63.221 63.200 0.035 0.000 0.593 3 V N 3.923 123.858 119.914 0.035 0.000 2.295 3 V HA -0.094 3.997 4.120 -0.048 0.000 0.246 3 V C 2.665 178.818 176.094 0.099 0.000 1.049 3 V CA 2.603 64.940 62.300 0.062 0.000 1.024 3 V CB -0.711 31.126 31.823 0.024 0.000 0.648 3 V HN 0.891 nan 8.190 nan 0.000 0.447 4 S N -0.500 115.234 115.700 0.057 0.000 2.374 4 S HA -0.258 4.184 4.470 -0.048 0.000 0.227 4 S C 2.064 176.696 174.600 0.054 0.000 1.037 4 S CA 1.891 60.114 58.200 0.040 0.000 1.024 4 S CB -0.336 62.875 63.200 0.019 0.000 0.861 4 S HN 0.650 nan 8.310 nan 0.000 0.456 5 A N -0.068 122.800 122.820 0.081 0.000 1.929 5 A HA 0.084 4.375 4.320 -0.048 0.000 0.216 5 A C 1.932 179.600 177.584 0.140 0.000 1.176 5 A CA 1.280 53.373 52.037 0.093 0.000 0.628 5 A CB -0.851 18.204 19.000 0.091 0.000 0.816 5 A HN 0.658 nan 8.150 nan 0.000 0.444 6 F N 1.430 121.389 119.950 0.016 0.000 2.146 6 F HA -0.123 4.375 4.527 -0.048 0.000 0.298 6 F C 1.963 177.801 175.800 0.064 0.000 1.096 6 F CA 1.654 59.655 58.000 0.002 0.000 1.275 6 F CB -0.265 38.669 39.000 -0.110 0.000 1.008 6 F HN 0.175 nan 8.300 nan 0.000 0.480 7 N N 0.915 119.571 118.700 -0.072 0.000 2.094 7 N HA -0.198 4.513 4.740 -0.048 0.000 0.191 7 N C 1.947 177.479 175.510 0.037 0.000 1.023 7 N CA 1.526 54.563 53.050 -0.022 0.000 0.857 7 N CB -0.416 38.121 38.487 0.084 0.000 1.013 7 N HN 0.369 nan 8.380 nan 0.000 0.426 8 R N 0.589 121.092 120.500 0.004 0.000 2.096 8 R HA 0.020 4.331 4.340 -0.048 0.000 0.235 8 R C 2.298 178.668 176.300 0.115 0.000 1.127 8 R CA 1.118 57.242 56.100 0.038 0.000 0.968 8 R CB -0.057 30.264 30.300 0.036 0.000 0.861 8 R HN 0.273 nan 8.270 nan 0.000 0.440 9 R N -0.537 120.021 120.500 0.097 0.000 2.075 9 R HA -0.113 4.198 4.340 -0.048 0.000 0.226 9 R C 2.063 178.573 176.300 0.350 0.000 1.114 9 R CA 1.036 57.268 56.100 0.221 0.000 0.972 9 R CB -0.378 30.093 30.300 0.285 0.000 0.869 9 R HN 0.398 nan 8.270 nan 0.000 0.437 10 W N 2.047 123.281 121.300 -0.110 0.000 2.315 10 W HA -0.287 4.345 4.660 -0.046 0.000 0.323 10 W C 2.034 178.680 176.519 0.211 0.000 1.233 10 W CA 2.207 59.564 57.345 0.020 0.000 1.267 10 W CB -0.502 28.721 29.460 -0.393 0.000 1.160 10 W HN 0.137 nan 8.180 nan 0.000 0.474 11 A N 1.100 124.242 122.820 0.538 0.000 1.903 11 A HA -0.227 4.064 4.320 -0.048 0.000 0.219 11 A C 2.236 179.992 177.584 0.286 0.000 1.191 11 A CA 3.502 55.799 52.037 0.433 0.000 0.638 11 A CB -1.535 17.654 19.000 0.316 0.000 0.823 11 A HN 0.461 nan 8.150 nan 0.000 0.451 12 A N -0.731 122.259 122.820 0.283 0.000 1.884 12 A HA -0.126 4.165 4.320 -0.048 0.000 0.219 12 A C 2.273 180.081 177.584 0.373 0.000 1.197 12 A CA 2.282 54.510 52.037 0.318 0.000 0.637 12 A CB -1.203 17.986 19.000 0.316 0.000 0.827 12 A HN 0.559 nan 8.150 nan 0.000 0.450 13 V N 0.129 120.259 119.914 0.360 0.000 2.343 13 V HA -0.287 3.804 4.120 -0.048 0.000 0.247 13 V C 2.432 178.575 176.094 0.082 0.000 1.051 13 V CA 2.041 64.471 62.300 0.217 0.000 1.036 13 V CB -0.764 31.086 31.823 0.045 0.000 0.654 13 V HN 0.580 nan 8.190 nan 0.000 0.451 14 I N -0.441 120.151 120.570 0.036 0.000 2.151 14 I HA -0.309 3.832 4.170 -0.048 0.000 0.243 14 I C 2.333 178.530 176.117 0.134 0.000 1.080 14 I CA 1.809 63.119 61.300 0.016 0.000 1.339 14 I CB -0.353 37.666 38.000 0.032 0.000 1.039 14 I HN 0.258 nan 8.210 nan 0.000 0.409 15 L N 0.048 121.403 121.223 0.220 0.000 2.093 15 L HA -0.190 4.121 4.340 -0.048 0.000 0.208 15 L C 2.569 179.656 176.870 0.362 0.000 1.085 15 L CA 1.151 56.189 54.840 0.329 0.000 0.755 15 L CB -0.429 41.876 42.059 0.410 0.000 0.904 15 L HN 0.200 nan 8.230 nan 0.000 0.435 16 E N 0.498 120.862 120.200 0.273 0.000 2.107 16 E HA -0.166 4.155 4.350 -0.048 0.000 0.191 16 E C 2.137 178.844 176.600 0.178 0.000 0.982 16 E CA 1.259 57.756 56.400 0.162 0.000 0.809 16 E CB -0.077 29.718 29.700 0.159 0.000 0.756 16 E HN 0.336 nan 8.360 nan 0.000 0.459 17 A N 0.810 123.805 122.820 0.291 0.000 1.917 17 A HA -0.187 4.104 4.320 -0.048 0.000 0.219 17 A C 2.279 180.052 177.584 0.315 0.000 1.182 17 A CA 1.678 53.912 52.037 0.328 0.000 0.633 17 A CB -0.822 18.262 19.000 0.139 0.000 0.819 17 A HN 0.373 nan 8.150 nan 0.000 0.448 18 L N -0.163 121.223 121.223 0.271 0.000 2.141 18 L HA -0.141 4.170 4.340 -0.048 0.000 0.209 18 L C 2.991 180.034 176.870 0.288 0.000 1.094 18 L CA 1.692 56.706 54.840 0.289 0.000 0.763 18 L CB -1.075 41.138 42.059 0.257 0.000 0.908 18 L HN 0.689 nan 8.230 nan 0.000 0.437 19 T N -2.417 112.262 114.554 0.207 0.000 2.803 19 T HA -0.181 4.140 4.350 -0.048 0.000 0.269 19 T C 1.875 176.567 174.700 -0.013 0.000 1.052 19 T CA 0.644 62.772 62.100 0.046 0.000 1.136 19 T CB -0.283 68.483 68.868 -0.170 0.000 0.864 19 T HN 0.190 nan 8.240 nan 0.000 0.467 20 R N 1.046 121.523 120.500 -0.038 0.000 2.357 20 R HA 0.031 4.343 4.340 -0.048 0.000 0.202 20 R C 0.869 176.985 176.300 -0.307 0.000 1.047 20 R CA 0.608 56.600 56.100 -0.180 0.000 1.034 20 R CB -0.664 29.522 30.300 -0.190 0.000 0.875 20 R HN 0.697 nan 8.270 nan 0.000 0.473 21 H N -1.018 118.075 119.070 0.037 0.000 2.512 21 H HA 0.209 4.736 4.556 -0.048 0.000 0.276 21 H C 0.901 176.248 175.328 0.032 0.000 1.126 21 H CA 0.412 56.480 56.048 0.034 0.000 1.060 21 H CB 0.967 30.753 29.762 0.040 0.000 1.646 21 H HN 0.354 nan 8.280 nan 0.000 0.571 22 G N 1.197 110.047 108.800 0.084 0.000 2.179 22 G HA2 -0.310 3.621 3.960 -0.048 0.000 0.260 22 G HA3 -0.310 3.621 3.960 -0.048 0.000 0.260 22 G C 0.433 175.394 174.900 0.102 0.000 0.977 22 G CA 0.298 45.438 45.100 0.066 0.000 0.641 22 G HN 0.232 nan 8.290 nan 0.000 0.533 23 V N 0.845 120.853 119.914 0.158 0.000 2.434 23 V HA 0.324 4.415 4.120 -0.048 0.000 0.281 23 V C 1.516 177.763 176.094 0.254 0.000 1.005 23 V CA 1.524 63.946 62.300 0.204 0.000 1.089 23 V CB 0.978 32.951 31.823 0.250 0.000 0.978 23 V HN 0.494 nan 8.190 nan 0.000 0.474 24 R N 3.002 123.600 120.500 0.163 0.000 2.225 24 R HA 0.175 4.487 4.340 -0.048 0.000 0.194 24 R C 0.833 177.165 176.300 0.054 0.000 0.949 24 R CA 0.370 56.518 56.100 0.080 0.000 1.088 24 R CB 0.372 30.597 30.300 -0.124 0.000 1.106 24 R HN 0.773 nan 8.270 nan 0.000 0.566 25 H N -0.130 119.020 119.070 0.133 0.000 2.487 25 H HA 0.329 4.856 4.556 -0.049 0.000 0.333 25 H C -0.806 174.518 175.328 -0.007 0.000 1.114 25 H CA -0.330 55.786 56.048 0.114 0.000 1.310 25 H CB 1.686 31.538 29.762 0.149 0.000 1.462 25 H HN 0.103 nan 8.280 nan 0.000 0.516 26 I N 2.459 123.081 120.570 0.086 0.000 2.534 26 I HA 0.195 4.337 4.170 -0.048 0.000 0.288 26 I C -0.965 175.212 176.117 0.100 0.000 1.077 26 I CA -0.275 60.975 61.300 -0.084 0.000 1.051 26 I CB 0.785 38.497 38.000 -0.479 0.000 1.234 26 I HN 0.520 nan 8.210 nan 0.000 0.425 27 C N 7.486 126.825 119.300 0.065 0.000 2.351 27 C HA 0.675 5.106 4.460 -0.048 0.000 0.326 27 C C -0.155 174.875 174.990 0.067 0.000 1.272 27 C CA -0.749 58.330 59.018 0.101 0.000 1.650 27 C CB 0.326 28.086 27.740 0.034 0.000 2.257 27 C HN 0.512 nan 8.230 nan 0.000 0.505 28 I N 2.524 123.151 120.570 0.096 0.000 2.533 28 I HA 0.551 4.692 4.170 -0.048 0.000 0.290 28 I C 0.039 176.207 176.117 0.085 0.000 1.056 28 I CA -0.259 61.090 61.300 0.082 0.000 1.057 28 I CB 1.668 39.725 38.000 0.095 0.000 1.240 28 I HN 0.738 nan 8.210 nan 0.000 0.423 29 A N 7.958 130.820 122.820 0.070 0.000 2.249 29 A HA 0.725 5.016 4.320 -0.048 0.000 0.314 29 A C -2.427 175.200 177.584 0.070 0.000 1.290 29 A CA -1.545 50.535 52.037 0.071 0.000 0.893 29 A CB 0.002 19.035 19.000 0.054 0.000 1.165 29 A HN 0.379 nan 8.150 nan 0.000 0.530 30 P HA 0.235 nan 4.420 nan 0.000 0.263 30 P C 0.303 177.636 177.300 0.055 0.000 1.168 30 P CA 0.849 63.987 63.100 0.063 0.000 0.759 30 P CB 0.538 32.281 31.700 0.070 0.000 0.782 31 G N 0.452 109.278 108.800 0.042 0.000 2.658 31 G HA2 0.238 4.169 3.960 -0.048 0.000 0.301 31 G HA3 0.238 4.169 3.960 -0.048 0.000 0.301 31 G C 0.535 175.450 174.900 0.026 0.000 1.481 31 G CA -0.069 45.054 45.100 0.038 0.000 0.931 31 G HN 0.334 nan 8.290 nan 0.000 0.573 32 S N 0.315 116.028 115.700 0.022 0.000 2.353 32 S HA -0.169 4.272 4.470 -0.048 0.000 0.222 32 S C 2.360 176.963 174.600 0.006 0.000 1.035 32 S CA 2.189 60.396 58.200 0.011 0.000 1.025 32 S CB -0.122 63.085 63.200 0.012 0.000 0.902 32 S HN 0.682 nan 8.310 nan 0.000 0.440 33 R N 1.331 121.842 120.500 0.020 0.000 2.328 33 R HA 0.110 4.421 4.340 -0.048 0.000 0.207 33 R C 1.783 178.099 176.300 0.028 0.000 1.056 33 R CA 1.508 57.625 56.100 0.028 0.000 1.016 33 R CB -0.565 29.765 30.300 0.050 0.000 0.872 33 R HN 0.457 nan 8.270 nan 0.000 0.471 34 S N -2.586 113.127 115.700 0.021 0.000 2.557 34 S HA 0.015 4.457 4.470 -0.048 0.000 0.223 34 S C 1.522 176.095 174.600 -0.044 0.000 0.969 34 S CA 0.263 58.474 58.200 0.019 0.000 0.927 34 S CB 0.022 63.256 63.200 0.057 0.000 0.806 34 S HN 0.255 nan 8.310 nan 0.000 0.489 35 T N 2.509 117.023 114.554 -0.066 0.000 2.737 35 T HA -0.025 4.296 4.350 -0.048 0.000 0.269 35 T C 1.504 176.137 174.700 -0.113 0.000 1.040 35 T CA 1.722 63.780 62.100 -0.069 0.000 1.142 35 T CB -0.628 68.208 68.868 -0.053 0.000 0.861 35 T HN 0.512 nan 8.240 nan 0.000 0.456 36 L N -0.015 121.062 121.223 -0.243 0.000 2.027 36 L HA 0.008 4.320 4.340 -0.048 0.000 0.206 36 L C 2.603 179.380 176.870 -0.156 0.000 1.074 36 L CA 1.089 55.751 54.840 -0.296 0.000 0.745 36 L CB -0.492 41.173 42.059 -0.656 0.000 0.898 36 L HN 0.280 nan 8.230 nan 0.000 0.433 37 L N -0.826 120.326 121.223 -0.119 0.000 2.046 37 L HA -0.187 4.124 4.340 -0.048 0.000 0.208 37 L C 2.659 179.564 176.870 0.059 0.000 1.077 37 L CA 1.400 56.273 54.840 0.056 0.000 0.747 37 L CB -0.845 41.295 42.059 0.135 0.000 0.896 37 L HN 0.250 nan 8.230 nan 0.000 0.432 38 T N 0.371 114.942 114.554 0.029 0.000 2.684 38 T HA -0.192 4.129 4.350 -0.048 0.000 0.267 38 T C 1.947 176.673 174.700 0.043 0.000 1.036 38 T CA 1.428 63.552 62.100 0.040 0.000 1.148 38 T CB -0.280 68.601 68.868 0.021 0.000 0.863 38 T HN 0.185 nan 8.240 nan 0.000 0.436 39 L N 0.594 121.827 121.223 0.018 0.000 2.056 39 L HA -0.047 4.264 4.340 -0.048 0.000 0.207 39 L C 3.059 179.967 176.870 0.065 0.000 1.078 39 L CA 1.145 55.999 54.840 0.023 0.000 0.749 39 L CB -0.698 41.360 42.059 -0.002 0.000 0.901 39 L HN 0.234 nan 8.230 nan 0.000 0.433 40 A N 0.235 123.105 122.820 0.083 0.000 1.883 40 A HA -0.206 4.085 4.320 -0.048 0.000 0.217 40 A C 2.554 180.263 177.584 0.208 0.000 1.186 40 A CA 1.844 53.965 52.037 0.140 0.000 0.624 40 A CB -0.809 18.287 19.000 0.160 0.000 0.822 40 A HN 0.396 nan 8.150 nan 0.000 0.444 41 A N -0.203 122.748 122.820 0.219 0.000 1.940 41 A HA 0.101 4.392 4.320 -0.048 0.000 0.219 41 A C 2.471 180.325 177.584 0.451 0.000 1.176 41 A CA 2.233 54.471 52.037 0.336 0.000 0.631 41 A CB -0.967 18.140 19.000 0.178 0.000 0.814 41 A HN 1.129 nan 8.150 nan 0.000 0.446 42 A N -0.523 122.428 122.820 0.217 0.000 1.969 42 A HA -0.109 4.182 4.320 -0.048 0.000 0.218 42 A C 1.848 179.492 177.584 0.101 0.000 1.169 42 A CA 1.490 53.558 52.037 0.050 0.000 0.635 42 A CB -0.356 18.614 19.000 -0.050 0.000 0.810 42 A HN 0.643 nan 8.150 nan 0.000 0.445 43 E N -0.426 119.852 120.200 0.129 0.000 2.442 43 E HA -0.005 4.316 4.350 -0.048 0.000 0.195 43 E C 0.065 176.728 176.600 0.106 0.000 1.030 43 E CA -0.302 56.153 56.400 0.092 0.000 0.869 43 E CB 0.093 29.837 29.700 0.075 0.000 0.857 43 E HN 0.411 nan 8.360 nan 0.000 0.505 44 N N 0.610 119.413 118.700 0.172 0.000 2.414 44 N HA 0.065 4.776 4.740 -0.048 0.000 0.256 44 N C 0.125 175.653 175.510 0.030 0.000 1.029 44 N CA 0.054 53.150 53.050 0.076 0.000 0.948 44 N CB 1.445 39.970 38.487 0.064 0.000 1.102 44 N HN -0.168 nan 8.380 nan 0.000 0.496 45 S N 2.154 117.826 115.700 -0.046 0.000 2.515 45 S HA -0.045 4.396 4.470 -0.048 0.000 0.231 45 S C 1.780 176.290 174.600 -0.149 0.000 0.987 45 S CA 0.530 58.703 58.200 -0.044 0.000 0.936 45 S CB 0.079 63.255 63.200 -0.041 0.000 0.766 45 S HN 0.724 nan 8.310 nan 0.000 0.528 46 A N 0.756 123.360 122.820 -0.360 0.000 2.125 46 A HA 0.111 4.402 4.320 -0.048 0.000 0.219 46 A C 0.334 177.647 177.584 -0.453 0.000 1.156 46 A CA 0.905 52.643 52.037 -0.498 0.000 0.671 46 A CB -0.338 18.207 19.000 -0.759 0.000 0.794 46 A HN 0.362 nan 8.150 nan 0.000 0.459 47 F N -0.695 119.175 119.950 -0.132 0.000 2.450 47 F HA 0.559 5.056 4.527 -0.050 0.000 0.332 47 F C 0.179 175.725 175.800 -0.423 0.000 1.093 47 F CA -1.770 56.051 58.000 -0.298 0.000 1.003 47 F CB 1.038 39.792 39.000 -0.411 0.000 1.151 47 F HN -0.103 nan 8.300 nan 0.000 0.474 48 I N 3.228 123.681 120.570 -0.195 0.000 2.342 48 I HA 0.235 4.376 4.170 -0.048 0.000 0.291 48 I C -0.672 175.201 176.117 -0.407 0.000 1.010 48 I CA -0.530 60.616 61.300 -0.256 0.000 1.308 48 I CB 0.608 38.470 38.000 -0.230 0.000 1.400 48 I HN 0.510 nan 8.210 nan 0.000 0.488 49 H N 4.776 123.732 119.070 -0.190 0.000 2.458 49 H HA 0.525 5.053 4.556 -0.047 0.000 0.330 49 H C -0.645 174.464 175.328 -0.364 0.000 1.111 49 H CA -0.478 55.470 56.048 -0.166 0.000 1.245 49 H CB 0.906 30.642 29.762 -0.043 0.000 1.456 49 H HN 0.459 nan 8.280 nan 0.000 0.488 50 H N 0.952 120.108 119.070 0.144 0.000 2.637 50 H HA 0.432 4.960 4.556 -0.048 0.000 0.363 50 H C -0.423 174.953 175.328 0.080 0.000 1.131 50 H CA -0.899 55.200 56.048 0.086 0.000 1.183 50 H CB 2.190 31.970 29.762 0.029 0.000 1.637 50 H HN 0.733 nan 8.280 nan 0.000 0.531 51 T N -0.628 114.038 114.554 0.188 0.000 2.893 51 T HA 0.450 4.772 4.350 -0.048 0.000 0.291 51 T C -0.838 173.966 174.700 0.173 0.000 1.028 51 T CA -0.770 61.424 62.100 0.157 0.000 0.995 51 T CB 2.621 71.573 68.868 0.141 0.000 1.051 51 T HN 0.682 nan 8.240 nan 0.000 0.470 52 H N 1.209 120.274 119.070 -0.008 0.000 2.996 52 H HA 0.463 4.990 4.556 -0.048 0.000 0.368 52 H C 0.065 175.341 175.328 -0.087 0.000 1.185 52 H CA -1.832 54.133 56.048 -0.139 0.000 1.160 52 H CB 1.234 30.843 29.762 -0.255 0.000 1.820 52 H HN 0.624 nan 8.280 nan 0.000 0.547 53 F N -0.206 119.558 119.950 -0.311 0.000 2.512 53 F HA 0.206 4.705 4.527 -0.047 0.000 0.296 53 F C 0.471 176.098 175.800 -0.289 0.000 1.110 53 F CA -0.175 57.683 58.000 -0.237 0.000 1.446 53 F CB 0.226 39.132 39.000 -0.157 0.000 1.092 53 F HN 0.295 nan 8.300 nan 0.000 0.554 54 D N 1.424 121.310 120.400 -0.856 0.000 2.359 54 D HA 0.101 4.712 4.640 -0.048 0.000 0.230 54 D C 0.601 176.811 176.300 -0.150 0.000 1.118 54 D CA -0.043 53.757 54.000 -0.333 0.000 0.844 54 D CB 1.355 41.945 40.800 -0.351 0.000 1.059 54 D HN 0.192 nan 8.370 nan 0.000 0.493 55 E N 2.390 122.575 120.200 -0.026 0.000 2.204 55 E HA -0.144 4.178 4.350 -0.048 0.000 0.195 55 E C 1.824 178.440 176.600 0.026 0.000 0.990 55 E CA 0.734 57.141 56.400 0.012 0.000 0.821 55 E CB 0.165 29.887 29.700 0.036 0.000 0.750 55 E HN 0.448 nan 8.360 nan 0.000 0.477 56 R N 0.012 120.545 120.500 0.056 0.000 2.073 56 R HA -0.097 4.214 4.340 -0.048 0.000 0.234 56 R C 2.224 178.616 176.300 0.152 0.000 1.134 56 R CA 1.681 57.837 56.100 0.094 0.000 0.952 56 R CB -0.457 29.933 30.300 0.149 0.000 0.850 56 R HN 0.279 nan 8.270 nan 0.000 0.433 57 G N 0.839 109.733 108.800 0.157 0.000 2.464 57 G HA2 -0.196 3.735 3.960 -0.048 0.000 0.217 57 G HA3 -0.196 3.735 3.960 -0.048 0.000 0.217 57 G C 1.308 176.277 174.900 0.115 0.000 1.138 57 G CA 0.349 45.558 45.100 0.182 0.000 0.793 57 G HN 0.305 nan 8.290 nan 0.000 0.539 58 L N 1.529 122.810 121.223 0.097 0.000 2.017 58 L HA 0.120 4.431 4.340 -0.048 0.000 0.208 58 L C 2.795 179.640 176.870 -0.043 0.000 1.073 58 L CA 2.361 57.220 54.840 0.031 0.000 0.745 58 L CB -0.879 41.201 42.059 0.036 0.000 0.894 58 L HN 0.151 nan 8.230 nan 0.000 0.432 59 G N -1.761 106.990 108.800 -0.083 0.000 2.469 59 G HA2 -0.347 3.584 3.960 -0.048 0.000 0.219 59 G HA3 -0.347 3.584 3.960 -0.048 0.000 0.219 59 G C 1.320 176.076 174.900 -0.239 0.000 1.150 59 G CA 1.351 46.336 45.100 -0.192 0.000 0.763 59 G HN 0.622 nan 8.290 nan 0.000 0.561 60 H N -0.842 118.174 119.070 -0.090 0.000 2.395 60 H HA 0.077 4.605 4.556 -0.047 0.000 0.299 60 H C 2.332 177.563 175.328 -0.163 0.000 1.070 60 H CA 0.788 56.769 56.048 -0.112 0.000 1.356 60 H CB -0.077 29.625 29.762 -0.101 0.000 1.401 60 H HN 0.265 nan 8.280 nan 0.000 0.524 61 L N 0.974 122.152 121.223 -0.075 0.000 1.978 61 L HA -0.258 4.053 4.340 -0.048 0.000 0.218 61 L C 2.409 179.141 176.870 -0.230 0.000 1.075 61 L CA 2.074 56.798 54.840 -0.194 0.000 0.767 61 L CB -0.999 40.938 42.059 -0.203 0.000 0.890 61 L HN 0.285 nan 8.230 nan 0.000 0.434 62 A N -1.055 121.653 122.820 -0.187 0.000 1.908 62 A HA -0.224 4.067 4.320 -0.048 0.000 0.218 62 A C 2.272 179.756 177.584 -0.166 0.000 1.181 62 A CA 2.016 53.944 52.037 -0.182 0.000 0.627 62 A CB -1.036 17.887 19.000 -0.127 0.000 0.818 62 A HN 0.528 nan 8.150 nan 0.000 0.445 63 L N -0.005 121.134 121.223 -0.140 0.000 2.017 63 L HA -0.025 4.286 4.340 -0.048 0.000 0.208 63 L C 2.469 179.273 176.870 -0.110 0.000 1.073 63 L CA 2.355 57.134 54.840 -0.103 0.000 0.745 63 L CB -1.029 40.990 42.059 -0.066 0.000 0.894 63 L HN 0.312 nan 8.230 nan 0.000 0.432 64 G N -0.300 108.414 108.800 -0.143 0.000 2.476 64 G HA2 -0.285 3.646 3.960 -0.048 0.000 0.218 64 G HA3 -0.285 3.646 3.960 -0.048 0.000 0.218 64 G C 1.586 176.327 174.900 -0.265 0.000 1.164 64 G CA 1.327 46.302 45.100 -0.207 0.000 0.768 64 G HN 0.449 nan 8.290 nan 0.000 0.560 65 L N 0.701 121.739 121.223 -0.309 0.000 2.012 65 L HA -0.106 4.205 4.340 -0.048 0.000 0.210 65 L C 3.441 180.165 176.870 -0.244 0.000 1.073 65 L CA 1.303 55.915 54.840 -0.380 0.000 0.748 65 L CB -0.525 41.214 42.059 -0.535 0.000 0.891 65 L HN 0.304 nan 8.230 nan 0.000 0.431 66 A N -0.227 122.493 122.820 -0.167 0.000 1.877 66 A HA -0.249 4.042 4.320 -0.048 0.000 0.216 66 A C 2.388 179.925 177.584 -0.078 0.000 1.186 66 A CA 1.911 53.893 52.037 -0.091 0.000 0.620 66 A CB -0.500 18.460 19.000 -0.068 0.000 0.822 66 A HN 0.306 nan 8.150 nan 0.000 0.443 67 K N -0.526 119.820 120.400 -0.089 0.000 2.059 67 K HA -0.165 4.126 4.320 -0.048 0.000 0.212 67 K C 1.846 178.388 176.600 -0.096 0.000 1.050 67 K CA 2.046 58.301 56.287 -0.054 0.000 0.927 67 K CB -0.275 32.195 32.500 -0.050 0.000 0.714 67 K HN 0.291 nan 8.250 nan 0.000 0.447 68 V N 0.405 120.166 119.914 -0.255 0.000 2.379 68 V HA -0.173 3.918 4.120 -0.048 0.000 0.243 68 V C 2.310 178.349 176.094 -0.093 0.000 1.035 68 V CA 1.888 64.020 62.300 -0.279 0.000 1.035 68 V CB -0.114 31.459 31.823 -0.415 0.000 0.673 68 V HN 0.516 nan 8.190 nan 0.000 0.457 69 S N -0.928 114.722 115.700 -0.084 0.000 2.423 69 S HA -0.200 4.242 4.470 -0.048 0.000 0.231 69 S C 1.285 175.891 174.600 0.010 0.000 1.014 69 S CA 0.850 59.044 58.200 -0.010 0.000 0.965 69 S CB -0.245 62.974 63.200 0.032 0.000 0.785 69 S HN 0.494 nan 8.310 nan 0.000 0.495 70 K N 0.062 120.461 120.400 -0.001 0.000 3.274 70 K HA -0.118 4.173 4.320 -0.048 0.000 0.300 70 K C -0.502 176.103 176.600 0.009 0.000 1.230 70 K CA 1.044 57.334 56.287 0.005 0.000 0.884 70 K CB -1.845 30.663 32.500 0.013 0.000 1.242 70 K HN 0.626 nan 8.250 nan 0.000 0.467 71 Q N -0.252 119.562 119.800 0.022 0.000 2.351 71 Q HA 0.471 4.782 4.340 -0.048 0.000 0.273 71 Q C -2.393 173.631 176.000 0.040 0.000 1.077 71 Q CA -1.996 53.831 55.803 0.039 0.000 0.843 71 Q CB 1.985 30.762 28.738 0.063 0.000 1.367 71 Q HN -0.099 nan 8.270 nan 0.000 0.449 72 P HA 0.194 nan 4.420 nan 0.000 0.275 72 P C -0.722 176.610 177.300 0.053 0.000 1.228 72 P CA -0.169 62.953 63.100 0.037 0.000 0.786 72 P CB 0.748 32.474 31.700 0.043 0.000 0.927 73 V N 1.861 121.790 119.914 0.024 0.000 2.656 73 V HA 0.645 4.736 4.120 -0.048 0.000 0.307 73 V C 0.221 176.310 176.094 -0.008 0.000 1.051 73 V CA -0.855 61.462 62.300 0.027 0.000 0.893 73 V CB 1.814 33.630 31.823 -0.011 0.000 0.999 73 V HN 0.733 nan 8.190 nan 0.000 0.426 74 A N 3.975 126.777 122.820 -0.030 0.000 2.295 74 A HA 0.919 5.210 4.320 -0.048 0.000 0.318 74 A C -0.817 176.734 177.584 -0.055 0.000 1.134 74 A CA -0.540 51.461 52.037 -0.059 0.000 0.827 74 A CB 1.512 20.434 19.000 -0.129 0.000 1.136 74 A HN 0.717 nan 8.150 nan 0.000 0.493 75 V N 1.956 121.851 119.914 -0.033 0.000 2.709 75 V HA 0.453 4.544 4.120 -0.048 0.000 0.308 75 V C -0.704 175.397 176.094 0.013 0.000 1.062 75 V CA -0.182 62.109 62.300 -0.016 0.000 0.901 75 V CB 1.706 33.516 31.823 -0.022 0.000 1.003 75 V HN 0.754 nan 8.190 nan 0.000 0.425 76 I N 4.971 125.555 120.570 0.025 0.000 2.465 76 I HA 0.737 4.878 4.170 -0.048 0.000 0.291 76 I C -0.625 175.532 176.117 0.066 0.000 1.014 76 I CA -0.826 60.507 61.300 0.055 0.000 1.093 76 I CB 2.056 40.086 38.000 0.049 0.000 1.267 76 I HN 0.532 nan 8.210 nan 0.000 0.431 77 V N 1.307 121.274 119.914 0.087 0.000 3.078 77 V HA 0.604 4.695 4.120 -0.048 0.000 0.311 77 V C -0.282 175.871 176.094 0.098 0.000 1.138 77 V CA -0.593 61.757 62.300 0.084 0.000 1.007 77 V CB 1.609 33.481 31.823 0.081 0.000 1.045 77 V HN 0.691 nan 8.190 nan 0.000 0.432 78 T N 1.519 116.124 114.554 0.084 0.000 2.732 78 T HA 0.455 4.777 4.350 -0.048 0.000 0.287 78 T C 0.602 175.354 174.700 0.087 0.000 0.993 78 T CA 0.471 62.621 62.100 0.084 0.000 0.966 78 T CB 0.870 69.775 68.868 0.063 0.000 1.047 78 T HN 1.723 nan 8.240 nan 0.000 0.527 79 S N 0.326 116.076 115.700 0.084 0.000 2.585 79 S HA 0.649 5.090 4.470 -0.048 0.000 0.273 79 S C 0.651 175.282 174.600 0.052 0.000 1.339 79 S CA 0.041 58.285 58.200 0.073 0.000 1.028 79 S CB 0.354 63.595 63.200 0.069 0.000 0.906 79 S HN 1.605 nan 8.310 nan 0.000 0.528 80 G N 1.003 109.825 108.800 0.037 0.000 2.352 80 G HA2 -0.060 3.872 3.960 -0.048 0.000 0.324 80 G HA3 -0.060 3.872 3.960 -0.048 0.000 0.324 80 G C 0.519 175.431 174.900 0.021 0.000 1.249 80 G CA 0.448 45.563 45.100 0.025 0.000 1.053 80 G HN 1.748 nan 8.290 nan 0.000 0.492 81 T N -0.990 113.578 114.554 0.024 0.000 2.946 81 T HA 0.195 4.516 4.350 -0.048 0.000 0.271 81 T C 2.552 177.283 174.700 0.052 0.000 1.104 81 T CA 2.491 64.611 62.100 0.033 0.000 1.114 81 T CB -0.467 68.423 68.868 0.037 0.000 0.867 81 T HN 2.147 nan 8.240 nan 0.000 0.513 82 A N 1.339 124.191 122.820 0.053 0.000 1.927 82 A HA -0.078 4.213 4.320 -0.048 0.000 0.220 82 A C 2.621 180.253 177.584 0.080 0.000 1.185 82 A CA 2.128 54.204 52.037 0.064 0.000 0.639 82 A CB -1.258 17.780 19.000 0.063 0.000 0.820 82 A HN 0.492 nan 8.150 nan 0.000 0.451 83 V N -0.551 119.409 119.914 0.077 0.000 2.358 83 V HA -0.195 3.896 4.120 -0.048 0.000 0.246 83 V C 2.974 179.186 176.094 0.197 0.000 1.047 83 V CA 1.867 64.237 62.300 0.115 0.000 1.035 83 V CB -1.171 30.675 31.823 0.038 0.000 0.658 83 V HN 0.636 nan 8.190 nan 0.000 0.452 84 A N -0.070 122.815 122.820 0.108 0.000 2.014 84 A HA -0.157 4.134 4.320 -0.048 0.000 0.218 84 A C 2.008 179.721 177.584 0.215 0.000 1.163 84 A CA 1.341 53.468 52.037 0.150 0.000 0.652 84 A CB -0.605 18.433 19.000 0.062 0.000 0.808 84 A HN 0.572 nan 8.150 nan 0.000 0.449 85 N N 0.076 118.862 118.700 0.144 0.000 2.443 85 N HA -0.054 4.657 4.740 -0.048 0.000 0.184 85 N C 1.268 176.824 175.510 0.075 0.000 1.037 85 N CA 0.832 53.951 53.050 0.114 0.000 0.896 85 N CB -0.188 38.351 38.487 0.087 0.000 0.959 85 N HN 0.528 nan 8.380 nan 0.000 0.442 86 L N -0.483 120.779 121.223 0.065 0.000 2.478 86 L HA -0.061 4.250 4.340 -0.048 0.000 0.223 86 L C 2.024 178.770 176.870 -0.208 0.000 1.140 86 L CA 0.183 54.960 54.840 -0.106 0.000 0.842 86 L CB -0.349 41.611 42.059 -0.165 0.000 0.953 86 L HN 0.068 nan 8.230 nan 0.000 0.452 87 Y N 1.789 121.980 120.300 -0.181 0.000 2.145 87 Y HA -0.126 4.393 4.550 -0.051 0.000 0.286 87 Y C -0.169 175.574 175.900 -0.261 0.000 1.145 87 Y CA 0.750 58.694 58.100 -0.260 0.000 1.148 87 Y CB -1.600 36.885 38.460 0.042 0.000 0.981 87 Y HN 0.121 nan 8.280 nan 0.000 0.507 88 P HA -0.198 nan 4.420 nan 0.000 0.216 88 P C 1.358 178.540 177.300 -0.198 0.000 1.153 88 P CA 2.745 65.785 63.100 -0.101 0.000 0.858 88 P CB -0.211 31.508 31.700 0.032 0.000 0.789 89 A N -1.327 121.271 122.820 -0.370 0.000 2.021 89 A HA -0.060 4.232 4.320 -0.048 0.000 0.216 89 A C 2.051 179.483 177.584 -0.253 0.000 1.163 89 A CA 0.791 52.564 52.037 -0.441 0.000 0.676 89 A CB -1.440 17.165 19.000 -0.659 0.000 0.818 89 A HN 0.167 nan 8.150 nan 0.000 0.453 90 L N -0.120 120.947 121.223 -0.259 0.000 2.056 90 L HA -0.073 4.238 4.340 -0.048 0.000 0.207 90 L C 2.115 178.914 176.870 -0.118 0.000 1.078 90 L CA 1.755 56.461 54.840 -0.224 0.000 0.749 90 L CB -0.344 41.473 42.059 -0.404 0.000 0.901 90 L HN 0.386 nan 8.230 nan 0.000 0.433 91 I N -0.391 120.092 120.570 -0.144 0.000 2.179 91 I HA -0.259 3.882 4.170 -0.048 0.000 0.242 91 I C 2.528 178.605 176.117 -0.066 0.000 1.088 91 I CA 1.409 62.621 61.300 -0.147 0.000 1.357 91 I CB -0.325 37.454 38.000 -0.368 0.000 1.051 91 I HN 0.365 nan 8.210 nan 0.000 0.409 92 E N 1.546 121.700 120.200 -0.075 0.000 2.033 92 E HA -0.281 4.040 4.350 -0.048 0.000 0.199 92 E C 2.123 178.712 176.600 -0.018 0.000 1.011 92 E CA 2.131 58.514 56.400 -0.029 0.000 0.815 92 E CB -0.345 29.355 29.700 0.001 0.000 0.755 92 E HN 0.413 nan 8.360 nan 0.000 0.451 93 A N 0.094 122.891 122.820 -0.039 0.000 1.948 93 A HA -0.142 4.149 4.320 -0.048 0.000 0.220 93 A C 2.476 180.056 177.584 -0.007 0.000 1.177 93 A CA 2.039 54.059 52.037 -0.028 0.000 0.636 93 A CB -1.452 17.516 19.000 -0.053 0.000 0.815 93 A HN 0.446 nan 8.150 nan 0.000 0.449 94 G N -0.981 107.823 108.800 0.006 0.000 2.471 94 G HA2 0.010 3.941 3.960 -0.048 0.000 0.219 94 G HA3 0.010 3.941 3.960 -0.048 0.000 0.219 94 G C 1.425 176.344 174.900 0.032 0.000 1.125 94 G CA 1.006 46.126 45.100 0.034 0.000 0.775 94 G HN 0.464 nan 8.290 nan 0.000 0.548 95 L N 0.213 121.451 121.223 0.025 0.000 2.316 95 L HA 0.115 4.426 4.340 -0.048 0.000 0.207 95 L C 2.868 179.748 176.870 0.016 0.000 1.070 95 L CA 1.406 56.258 54.840 0.021 0.000 0.820 95 L CB -0.021 42.049 42.059 0.017 0.000 0.992 95 L HN 0.269 nan 8.230 nan 0.000 0.466 96 T N -4.204 110.358 114.554 0.014 0.000 3.044 96 T HA 0.290 4.611 4.350 -0.048 0.000 0.250 96 T C 1.406 176.115 174.700 0.015 0.000 1.081 96 T CA 0.499 62.610 62.100 0.017 0.000 1.040 96 T CB 0.787 69.669 68.868 0.024 0.000 0.962 96 T HN 0.381 nan 8.240 nan 0.000 0.506 97 G N 1.172 109.978 108.800 0.010 0.000 2.157 97 G HA2 -0.203 3.728 3.960 -0.048 0.000 0.239 97 G HA3 -0.203 3.728 3.960 -0.048 0.000 0.239 97 G C -0.264 174.629 174.900 -0.011 0.000 0.982 97 G CA -0.213 44.889 45.100 0.004 0.000 0.650 97 G HN 0.592 nan 8.290 nan 0.000 0.527 98 E N 0.552 120.745 120.200 -0.012 0.000 2.437 98 E HA 0.420 4.741 4.350 -0.048 0.000 0.263 98 E C 0.557 177.140 176.600 -0.029 0.000 1.030 98 E CA 0.465 56.852 56.400 -0.023 0.000 0.934 98 E CB 0.434 30.116 29.700 -0.030 0.000 0.943 98 E HN 0.345 nan 8.360 nan 0.000 0.444 99 K N 2.693 123.076 120.400 -0.028 0.000 2.291 99 K HA 0.252 4.543 4.320 -0.048 0.000 0.242 99 K C -0.682 175.903 176.600 -0.025 0.000 1.098 99 K CA -0.144 56.129 56.287 -0.023 0.000 1.036 99 K CB 0.151 32.642 32.500 -0.015 0.000 1.655 99 K HN 0.296 nan 8.250 nan 0.000 0.432 100 L N 4.021 125.221 121.223 -0.038 0.000 2.276 100 L HA 0.375 4.687 4.340 -0.048 0.000 0.286 100 L C -0.047 176.808 176.870 -0.026 0.000 1.061 100 L CA -0.790 54.022 54.840 -0.047 0.000 0.807 100 L CB 0.747 42.755 42.059 -0.084 0.000 1.177 100 L HN 0.305 nan 8.230 nan 0.000 0.429 101 I N 5.471 126.033 120.570 -0.013 0.000 2.337 101 I HA 0.291 4.432 4.170 -0.048 0.000 0.285 101 I C -0.004 176.126 176.117 0.022 0.000 1.041 101 I CA -0.338 60.969 61.300 0.011 0.000 1.199 101 I CB 1.166 39.172 38.000 0.010 0.000 1.370 101 I HN 0.468 nan 8.210 nan 0.000 0.470 102 L N 6.961 128.219 121.223 0.058 0.000 2.260 102 L HA 0.414 4.725 4.340 -0.048 0.000 0.289 102 L C -0.144 176.823 176.870 0.162 0.000 1.057 102 L CA -0.411 54.483 54.840 0.090 0.000 0.811 102 L CB 0.594 42.705 42.059 0.088 0.000 1.184 102 L HN 0.359 nan 8.230 nan 0.000 0.429 103 L N 4.007 125.303 121.223 0.123 0.000 2.272 103 L HA 0.320 4.631 4.340 -0.048 0.000 0.284 103 L C 0.420 177.396 176.870 0.177 0.000 1.045 103 L CA -0.414 54.514 54.840 0.145 0.000 0.842 103 L CB 0.964 43.090 42.059 0.112 0.000 1.224 103 L HN 0.589 nan 8.230 nan 0.000 0.430 104 T N 0.143 114.832 114.554 0.226 0.000 2.781 104 T HA 0.643 4.964 4.350 -0.048 0.000 0.305 104 T C 0.420 175.244 174.700 0.206 0.000 1.001 104 T CA -0.709 61.528 62.100 0.228 0.000 0.950 104 T CB 1.336 70.397 68.868 0.320 0.000 0.955 104 T HN 0.560 nan 8.240 nan 0.000 0.471 105 A N 3.352 126.301 122.820 0.214 0.000 2.561 105 A HA 0.429 4.720 4.320 -0.048 0.000 0.234 105 A C 0.363 178.058 177.584 0.186 0.000 1.055 105 A CA -0.117 52.078 52.037 0.263 0.000 0.756 105 A CB -0.034 19.111 19.000 0.243 0.000 0.986 105 A HN 0.920 nan 8.150 nan 0.000 0.505 106 D N -0.044 120.461 120.400 0.176 0.000 2.581 106 D HA 0.425 5.036 4.640 -0.048 0.000 0.232 106 D C -0.316 176.044 176.300 0.100 0.000 1.143 106 D CA -0.627 53.434 54.000 0.103 0.000 0.881 106 D CB 1.096 41.929 40.800 0.055 0.000 1.500 106 D HN 0.441 nan 8.370 nan 0.000 0.458 107 R N 1.497 122.036 120.500 0.064 0.000 2.679 107 R HA 0.375 4.686 4.340 -0.048 0.000 0.269 107 R C -1.969 174.347 176.300 0.026 0.000 1.076 107 R CA -1.364 54.767 56.100 0.051 0.000 1.160 107 R CB -0.550 29.769 30.300 0.032 0.000 1.054 107 R HN 0.382 nan 8.270 nan 0.000 0.507 108 P HA 0.117 nan 4.420 nan 0.000 0.274 108 P C -1.927 175.361 177.300 -0.020 0.000 1.246 108 P CA -1.428 61.661 63.100 -0.018 0.000 0.795 108 P CB 0.189 31.876 31.700 -0.023 0.000 1.006 109 P HA -0.157 nan 4.420 nan 0.000 0.219 109 P C 0.876 178.163 177.300 -0.021 0.000 1.146 109 P CA 1.547 64.631 63.100 -0.026 0.000 0.808 109 P CB -0.126 31.554 31.700 -0.033 0.000 0.779 110 E N -0.230 119.956 120.200 -0.023 0.000 2.338 110 E HA -0.069 4.252 4.350 -0.048 0.000 0.197 110 E C 1.588 178.180 176.600 -0.012 0.000 1.007 110 E CA 0.707 57.096 56.400 -0.019 0.000 0.849 110 E CB -0.930 28.758 29.700 -0.021 0.000 0.774 110 E HN 0.325 nan 8.360 nan 0.000 0.506 111 L N 0.549 121.768 121.223 -0.008 0.000 2.700 111 L HA 0.195 4.506 4.340 -0.048 0.000 0.234 111 L C -0.167 176.702 176.870 -0.001 0.000 1.156 111 L CA -0.388 54.450 54.840 -0.002 0.000 0.946 111 L CB 0.300 42.361 42.059 0.004 0.000 1.216 111 L HN 0.063 nan 8.230 nan 0.000 0.493 112 I N 0.208 120.776 120.570 -0.004 0.000 2.385 112 I HA 0.209 4.350 4.170 -0.048 0.000 0.294 112 I C 0.190 176.304 176.117 -0.005 0.000 0.988 112 I CA -0.096 61.202 61.300 -0.004 0.000 1.265 112 I CB 1.057 39.053 38.000 -0.007 0.000 1.388 112 I HN 0.105 nan 8.210 nan 0.000 0.480 113 D N 3.753 124.151 120.400 -0.004 0.000 2.835 113 D HA -0.164 4.447 4.640 -0.048 0.000 0.230 113 D C 0.343 176.641 176.300 -0.004 0.000 1.130 113 D CA 0.949 54.946 54.000 -0.004 0.000 0.738 113 D CB -1.248 39.549 40.800 -0.006 0.000 1.090 113 D HN 0.843 nan 8.370 nan 0.000 0.433 114 C N -3.190 116.108 119.300 -0.003 0.000 3.543 114 C HA 0.702 5.133 4.460 -0.048 0.000 0.281 114 C C 1.600 176.589 174.990 -0.001 0.000 2.362 114 C CA 0.240 59.256 59.018 -0.003 0.000 1.649 114 C CB 0.001 27.739 27.740 -0.004 0.000 3.429 114 C HN 0.849 nan 8.230 nan 0.000 0.407 115 G N 1.364 110.164 108.800 -0.000 0.000 2.179 115 G HA2 0.141 4.072 3.960 -0.048 0.000 0.257 115 G HA3 0.141 4.072 3.960 -0.048 0.000 0.257 115 G C 0.408 175.310 174.900 0.002 0.000 1.010 115 G CA 0.535 45.636 45.100 0.001 0.000 0.736 115 G HN 1.805 nan 8.290 nan 0.000 0.513 116 A N -0.540 122.282 122.820 0.003 0.000 2.366 116 A HA 0.560 4.851 4.320 -0.048 0.000 0.249 116 A C 0.718 178.306 177.584 0.007 0.000 1.084 116 A CA 0.162 52.201 52.037 0.005 0.000 0.794 116 A CB 0.298 19.301 19.000 0.005 0.000 1.034 116 A HN 0.566 nan 8.150 nan 0.000 0.491 117 N N 0.088 118.793 118.700 0.009 0.000 2.530 117 N HA 0.091 4.802 4.740 -0.048 0.000 0.273 117 N C -0.053 175.466 175.510 0.014 0.000 1.173 117 N CA 0.300 53.356 53.050 0.011 0.000 0.967 117 N CB 0.480 38.973 38.487 0.010 0.000 1.109 117 N HN 0.741 nan 8.380 nan 0.000 0.453 118 Q N 0.072 119.882 119.800 0.015 0.000 2.475 118 Q HA -0.240 4.071 4.340 -0.048 0.000 0.280 118 Q C -1.566 174.446 176.000 0.020 0.000 1.234 118 Q CA 0.566 56.381 55.803 0.019 0.000 0.873 118 Q CB -1.114 27.639 28.738 0.024 0.000 1.256 118 Q HN 0.601 nan 8.270 nan 0.000 0.475 119 A N 1.038 123.867 122.820 0.014 0.000 2.311 119 A HA 0.790 5.082 4.320 -0.048 0.000 0.306 119 A C -0.226 177.361 177.584 0.005 0.000 1.189 119 A CA -0.375 51.669 52.037 0.012 0.000 0.791 119 A CB 0.709 19.715 19.000 0.010 0.000 1.172 119 A HN 0.556 nan 8.150 nan 0.000 0.481 120 I N -1.273 119.298 120.570 0.000 0.000 3.191 120 I HA 0.621 4.762 4.170 -0.048 0.000 0.313 120 I C -0.514 175.592 176.117 -0.019 0.000 1.193 120 I CA -1.391 59.902 61.300 -0.012 0.000 0.968 120 I CB 1.917 39.905 38.000 -0.021 0.000 1.262 120 I HN 0.491 nan 8.210 nan 0.000 0.456 121 R N 2.320 122.803 120.500 -0.029 0.000 2.291 121 R HA 0.182 4.493 4.340 -0.048 0.000 0.333 121 R C 0.161 176.426 176.300 -0.058 0.000 1.082 121 R CA 0.072 56.152 56.100 -0.033 0.000 0.948 121 R CB 0.679 30.961 30.300 -0.031 0.000 1.009 121 R HN 0.699 nan 8.270 nan 0.000 0.460 122 Q N 2.145 121.921 119.800 -0.040 0.000 2.304 122 Q HA 0.088 4.400 4.340 -0.048 0.000 0.204 122 Q C -1.643 174.356 176.000 -0.001 0.000 0.936 122 Q CA -0.100 55.674 55.803 -0.048 0.000 0.878 122 Q CB -0.239 28.506 28.738 0.011 0.000 0.983 122 Q HN 0.417 nan 8.270 nan 0.000 0.516 123 P HA -0.015 nan 4.420 nan 0.000 0.265 123 P C 0.380 177.689 177.300 0.014 0.000 1.193 123 P CA 1.476 64.585 63.100 0.015 0.000 0.765 123 P CB 0.492 32.187 31.700 -0.008 0.000 0.823 124 G N 2.916 111.751 108.800 0.059 0.000 2.184 124 G HA2 -0.404 3.527 3.960 -0.048 0.000 0.264 124 G HA3 -0.404 3.527 3.960 -0.048 0.000 0.264 124 G C 1.006 175.882 174.900 -0.040 0.000 0.975 124 G CA 0.495 45.622 45.100 0.044 0.000 0.642 124 G HN 0.526 nan 8.290 nan 0.000 0.536 125 M N -0.923 118.559 119.600 -0.197 0.000 2.195 125 M HA 0.036 4.487 4.480 -0.048 0.000 0.260 125 M C 1.591 177.533 176.300 -0.596 0.000 1.066 125 M CA 1.940 56.961 55.300 -0.465 0.000 1.089 125 M CB -0.150 31.926 32.600 -0.873 0.000 1.377 125 M HN 0.263 nan 8.290 nan 0.000 0.411 126 F N 0.094 119.899 119.950 -0.242 0.000 2.660 126 F HA 0.453 4.951 4.527 -0.049 0.000 0.302 126 F C 1.351 177.248 175.800 0.162 0.000 1.103 126 F CA 0.038 57.832 58.000 -0.344 0.000 1.340 126 F CB -1.282 37.523 39.000 -0.325 0.000 1.048 126 F HN 0.302 nan 8.300 nan 0.000 0.551 127 A N 0.628 123.589 122.820 0.235 0.000 5.479 127 A HA -0.371 3.920 4.320 -0.048 0.000 0.301 127 A C 1.802 179.498 177.584 0.186 0.000 1.961 127 A CA 1.987 54.158 52.037 0.222 0.000 0.716 127 A CB -2.036 17.150 19.000 0.310 0.000 1.266 127 A HN 0.611 nan 8.150 nan 0.000 0.372 128 S N -0.843 114.893 115.700 0.060 0.000 2.593 128 S HA 0.140 4.581 4.470 -0.048 0.000 0.217 128 S C 1.217 175.750 174.600 -0.113 0.000 0.966 128 S CA 0.916 59.075 58.200 -0.069 0.000 0.914 128 S CB -0.463 62.636 63.200 -0.167 0.000 0.776 128 S HN 0.716 nan 8.310 nan 0.000 0.523 129 H N 2.233 121.417 119.070 0.189 0.000 2.403 129 H HA 0.182 4.710 4.556 -0.047 0.000 0.298 129 H C -1.649 173.736 175.328 0.095 0.000 1.059 129 H CA 0.260 56.400 56.048 0.154 0.000 1.363 129 H CB -1.533 28.379 29.762 0.250 0.000 1.410 129 H HN 0.441 nan 8.280 nan 0.000 0.528 130 P HA 0.075 nan 4.420 nan 0.000 0.274 130 P C 0.790 178.120 177.300 0.049 0.000 1.237 130 P CA 0.148 63.321 63.100 0.122 0.000 0.793 130 P CB 0.911 32.722 31.700 0.185 0.000 0.977 131 T N -1.056 113.475 114.554 -0.039 0.000 2.857 131 T HA -0.037 4.284 4.350 -0.048 0.000 0.266 131 T C 0.417 174.944 174.700 -0.288 0.000 1.048 131 T CA 1.513 63.496 62.100 -0.194 0.000 1.139 131 T CB -0.399 68.277 68.868 -0.320 0.000 0.874 131 T HN 0.461 nan 8.240 nan 0.000 0.455 132 H N -0.302 118.801 119.070 0.055 0.000 2.851 132 H HA 0.644 5.161 4.556 -0.065 0.000 0.372 132 H C -1.020 174.356 175.328 0.080 0.000 1.158 132 H CA -0.757 55.324 56.048 0.054 0.000 1.159 132 H CB 1.940 31.713 29.762 0.019 0.000 1.757 132 H HN -0.014 nan 8.280 nan 0.000 0.546 133 S N 1.971 117.803 115.700 0.220 0.000 2.557 133 S HA 0.551 4.992 4.470 -0.048 0.000 0.291 133 S C -0.106 174.531 174.600 0.061 0.000 1.116 133 S CA -0.643 57.643 58.200 0.142 0.000 0.992 133 S CB 1.267 64.561 63.200 0.155 0.000 1.028 133 S HN 0.371 nan 8.310 nan 0.000 0.484 134 I N 2.416 122.973 120.570 -0.021 0.000 2.410 134 I HA 0.293 4.434 4.170 -0.048 0.000 0.286 134 I C -0.418 175.652 176.117 -0.078 0.000 1.009 134 I CA -0.394 60.887 61.300 -0.032 0.000 1.111 134 I CB 1.945 39.915 38.000 -0.050 0.000 1.262 134 I HN 0.483 nan 8.210 nan 0.000 0.443 135 S N 7.446 123.133 115.700 -0.022 0.000 2.464 135 S HA 0.458 4.900 4.470 -0.048 0.000 0.313 135 S C -0.017 174.630 174.600 0.079 0.000 1.078 135 S CA -0.648 57.542 58.200 -0.016 0.000 1.096 135 S CB 0.139 63.334 63.200 -0.008 0.000 1.032 135 S HN 0.386 nan 8.310 nan 0.000 0.498 136 L N 5.033 126.314 121.223 0.097 0.000 2.456 136 L HA 0.245 4.556 4.340 -0.048 0.000 0.272 136 L C -1.535 175.462 176.870 0.211 0.000 1.189 136 L CA -1.606 53.380 54.840 0.243 0.000 0.846 136 L CB 0.114 42.327 42.059 0.257 0.000 1.111 136 L HN 0.307 nan 8.230 nan 0.000 0.475 137 P HA 0.017 nan 4.420 nan 0.000 0.272 137 P C -0.588 176.709 177.300 -0.005 0.000 1.230 137 P CA -0.524 62.640 63.100 0.108 0.000 0.788 137 P CB 0.531 32.275 31.700 0.074 0.000 0.949 138 R N 1.912 122.338 120.500 -0.123 0.000 2.537 138 R HA 0.058 4.369 4.340 -0.048 0.000 0.281 138 R C -1.853 174.157 176.300 -0.482 0.000 0.988 138 R CA -0.856 55.092 56.100 -0.254 0.000 1.077 138 R CB -0.637 29.552 30.300 -0.184 0.000 0.932 138 R HN 0.377 nan 8.270 nan 0.000 0.409 139 P HA 0.017 nan 4.420 nan 0.000 0.268 139 P C -0.904 176.073 177.300 -0.539 0.000 1.204 139 P CA 0.200 62.472 63.100 -1.380 0.000 0.768 139 P CB 1.275 32.123 31.700 -1.421 0.000 0.842 140 T N 0.867 115.179 114.554 -0.403 0.000 2.932 140 T HA 0.141 4.462 4.350 -0.048 0.000 0.318 140 T C 0.468 174.920 174.700 -0.413 0.000 1.265 140 T CA -0.602 61.286 62.100 -0.353 0.000 1.036 140 T CB 1.045 69.763 68.868 -0.250 0.000 1.209 140 T HN 0.327 nan 8.240 nan 0.000 0.484 141 Q N 1.392 120.643 119.800 -0.917 0.000 2.515 141 Q HA -0.002 4.309 4.340 -0.048 0.000 0.212 141 Q C 0.378 176.324 176.000 -0.091 0.000 0.970 141 Q CA 0.672 56.041 55.803 -0.724 0.000 0.941 141 Q CB 0.091 28.383 28.738 -0.743 0.000 0.998 141 Q HN 0.588 nan 8.270 nan 0.000 0.518 142 D N 0.736 121.083 120.400 -0.089 0.000 2.317 142 D HA 0.056 4.667 4.640 -0.048 0.000 0.211 142 D C 0.259 176.618 176.300 0.099 0.000 0.966 142 D CA 0.616 54.622 54.000 0.010 0.000 0.876 142 D CB 0.298 41.065 40.800 -0.055 0.000 0.927 142 D HN 0.243 nan 8.370 nan 0.000 0.519 143 I N 2.816 123.505 120.570 0.199 0.000 2.321 143 I HA 0.195 4.336 4.170 -0.048 0.000 0.291 143 I C -2.170 174.294 176.117 0.579 0.000 0.998 143 I CA -2.103 59.351 61.300 0.255 0.000 1.227 143 I CB 1.908 40.032 38.000 0.206 0.000 1.368 143 I HN -0.268 nan 8.210 nan 0.000 0.466 144 P HA 0.144 nan 4.420 nan 0.000 0.277 144 P C 0.250 177.628 177.300 0.131 0.000 1.240 144 P CA -0.373 62.916 63.100 0.314 0.000 0.798 144 P CB 1.459 33.226 31.700 0.111 0.000 0.979 145 A N 3.939 126.475 122.820 -0.474 0.000 1.978 145 A HA -0.231 4.060 4.320 -0.048 0.000 0.220 145 A C 2.147 179.302 177.584 -0.716 0.000 1.170 145 A CA 1.697 53.235 52.037 -0.832 0.000 0.636 145 A CB -1.039 17.099 19.000 -1.436 0.000 0.810 145 A HN 0.690 nan 8.150 nan 0.000 0.448 146 R N -1.955 118.121 120.500 -0.708 0.000 2.152 146 R HA -0.191 4.121 4.340 -0.048 0.000 0.232 146 R C 1.998 178.013 176.300 -0.474 0.000 1.117 146 R CA 1.517 57.064 56.100 -0.922 0.000 0.981 146 R CB -0.680 29.263 30.300 -0.593 0.000 0.870 146 R HN 0.649 nan 8.270 nan 0.000 0.451 147 W N 1.771 122.880 121.300 -0.319 0.000 2.378 147 W HA -0.146 4.488 4.660 -0.044 0.000 0.313 147 W C 1.893 178.265 176.519 -0.245 0.000 1.197 147 W CA 1.108 58.342 57.345 -0.186 0.000 1.304 147 W CB -0.395 29.029 29.460 -0.061 0.000 1.148 147 W HN 0.087 nan 8.180 nan 0.000 0.494 148 L N 0.638 121.732 121.223 -0.215 0.000 1.989 148 L HA -0.192 4.119 4.340 -0.048 0.000 0.211 148 L C 2.537 179.034 176.870 -0.622 0.000 1.071 148 L CA 2.395 56.920 54.840 -0.525 0.000 0.749 148 L CB -1.645 40.142 42.059 -0.454 0.000 0.890 148 L HN 0.080 nan 8.230 nan 0.000 0.431 149 V N -1.376 118.142 119.914 -0.660 0.000 2.407 149 V HA -0.245 3.847 4.120 -0.048 0.000 0.248 149 V C 2.427 178.256 176.094 -0.441 0.000 1.055 149 V CA 2.188 64.117 62.300 -0.618 0.000 1.049 149 V CB -0.193 31.029 31.823 -1.002 0.000 0.662 149 V HN 0.652 nan 8.190 nan 0.000 0.455 150 S N 0.062 115.487 115.700 -0.458 0.000 2.383 150 S HA -0.175 4.266 4.470 -0.048 0.000 0.227 150 S C 1.882 176.301 174.600 -0.302 0.000 1.026 150 S CA 1.862 59.920 58.200 -0.236 0.000 0.981 150 S CB -0.538 62.579 63.200 -0.138 0.000 0.818 150 S HN 0.791 nan 8.310 nan 0.000 0.472 151 T N 2.641 116.842 114.554 -0.587 0.000 2.746 151 T HA 0.032 4.354 4.350 -0.048 0.000 0.267 151 T C 1.753 176.254 174.700 -0.332 0.000 1.039 151 T CA 1.073 62.829 62.100 -0.573 0.000 1.142 151 T CB -0.408 67.868 68.868 -0.987 0.000 0.866 151 T HN 0.319 nan 8.240 nan 0.000 0.444 152 I N 1.430 121.802 120.570 -0.330 0.000 2.202 152 I HA -0.144 3.997 4.170 -0.048 0.000 0.242 152 I C 2.235 178.234 176.117 -0.196 0.000 1.091 152 I CA 1.152 62.318 61.300 -0.224 0.000 1.368 152 I CB -0.347 37.545 38.000 -0.180 0.000 1.058 152 I HN 0.091 nan 8.210 nan 0.000 0.410 153 D N -0.436 119.911 120.400 -0.088 0.000 2.218 153 D HA -0.231 4.380 4.640 -0.048 0.000 0.204 153 D C 1.922 178.198 176.300 -0.040 0.000 0.976 153 D CA 1.349 55.374 54.000 0.042 0.000 0.853 153 D CB -0.311 40.609 40.800 0.200 0.000 0.939 153 D HN 0.500 nan 8.370 nan 0.000 0.481 154 H N 0.558 119.538 119.070 -0.150 0.000 2.333 154 H HA 0.129 4.658 4.556 -0.045 0.000 0.302 154 H C 1.924 177.105 175.328 -0.244 0.000 1.075 154 H CA 1.844 57.794 56.048 -0.163 0.000 1.348 154 H CB -0.025 29.628 29.762 -0.181 0.000 1.393 154 H HN 0.008 nan 8.280 nan 0.000 0.509 155 A N 1.104 123.710 122.820 -0.356 0.000 1.883 155 A HA -0.105 4.186 4.320 -0.048 0.000 0.217 155 A C 2.399 179.814 177.584 -0.281 0.000 1.186 155 A CA 1.792 53.570 52.037 -0.431 0.000 0.624 155 A CB -0.810 18.068 19.000 -0.203 0.000 0.822 155 A HN 0.495 nan 8.150 nan 0.000 0.444 156 L N -1.268 119.766 121.223 -0.316 0.000 2.209 156 L HA 0.040 4.351 4.340 -0.048 0.000 0.207 156 L C 2.744 179.480 176.870 -0.223 0.000 1.094 156 L CA 0.877 55.520 54.840 -0.328 0.000 0.790 156 L CB -1.055 40.620 42.059 -0.641 0.000 0.932 156 L HN 0.465 nan 8.230 nan 0.000 0.447 157 G N 0.671 109.359 108.800 -0.187 0.000 2.408 157 G HA2 -0.238 3.693 3.960 -0.048 0.000 0.217 157 G HA3 -0.238 3.693 3.960 -0.048 0.000 0.217 157 G C 1.595 176.482 174.900 -0.021 0.000 1.150 157 G CA 1.315 46.423 45.100 0.014 0.000 0.776 157 G HN 0.448 nan 8.290 nan 0.000 0.542 158 T N -1.495 112.993 114.554 -0.111 0.000 3.129 158 T HA 0.313 4.635 4.350 -0.048 0.000 0.251 158 T C 0.812 175.574 174.700 0.103 0.000 1.117 158 T CA -0.398 61.679 62.100 -0.038 0.000 1.034 158 T CB 0.090 68.857 68.868 -0.168 0.000 0.968 158 T HN 0.038 nan 8.240 nan 0.000 0.526 159 L N 2.478 123.753 121.223 0.088 0.000 2.433 159 L HA 0.346 4.657 4.340 -0.048 0.000 0.284 159 L C 1.219 178.126 176.870 0.062 0.000 1.120 159 L CA -0.201 54.693 54.840 0.088 0.000 0.879 159 L CB 0.236 42.327 42.059 0.053 0.000 1.232 159 L HN 0.249 nan 8.230 nan 0.000 0.454 160 H N 4.342 123.403 119.070 -0.014 0.000 2.326 160 H HA 0.355 4.921 4.556 0.016 0.000 0.301 160 H C 0.379 175.695 175.328 -0.020 0.000 1.081 160 H CA 1.258 57.297 56.048 -0.015 0.000 1.334 160 H CB 0.423 30.174 29.762 -0.020 0.000 1.385 160 H HN 0.727 nan 8.280 nan 0.000 0.504 161 A N -1.970 120.876 122.820 0.043 0.000 2.540 161 A HA 0.559 4.850 4.320 -0.048 0.000 0.291 161 A C -0.039 177.539 177.584 -0.010 0.000 1.083 161 A CA -0.206 51.825 52.037 -0.009 0.000 0.650 161 A CB 0.386 19.403 19.000 0.028 0.000 1.292 161 A HN 1.010 nan 8.150 nan 0.000 0.435 162 G N -1.351 107.439 108.800 -0.016 0.000 2.796 162 G HA2 0.469 4.400 3.960 -0.048 0.000 0.571 162 G HA3 0.469 4.400 3.960 -0.048 0.000 0.571 162 G C 0.517 175.401 174.900 -0.027 0.000 1.370 162 G CA 0.088 45.177 45.100 -0.019 0.000 0.856 162 G HN 2.332 nan 8.290 nan 0.000 0.538 163 G N -1.884 106.903 108.800 -0.022 0.000 2.502 163 G HA2 0.739 4.671 3.960 -0.048 0.000 0.305 163 G HA3 0.739 4.671 3.960 -0.048 0.000 0.305 163 G C -0.599 174.314 174.900 0.021 0.000 1.190 163 G CA 0.122 45.213 45.100 -0.016 0.000 0.933 163 G HN 1.520 nan 8.290 nan 0.000 0.503 164 V N 0.462 120.407 119.914 0.052 0.000 2.577 164 V HA 0.306 4.397 4.120 -0.048 0.000 0.303 164 V C -0.601 175.597 176.094 0.174 0.000 1.042 164 V CA -0.793 61.575 62.300 0.113 0.000 0.872 164 V CB 1.495 33.373 31.823 0.091 0.000 0.998 164 V HN 0.893 nan 8.190 nan 0.000 0.423 165 H N 5.937 125.071 119.070 0.107 0.000 2.519 165 H HA 0.589 5.115 4.556 -0.050 0.000 0.316 165 H C -1.124 174.272 175.328 0.115 0.000 1.065 165 H CA -0.870 55.264 56.048 0.143 0.000 1.264 165 H CB 1.156 31.076 29.762 0.263 0.000 1.413 165 H HN 0.575 nan 8.280 nan 0.000 0.465 166 I N 5.036 125.644 120.570 0.064 0.000 2.405 166 I HA 0.052 4.194 4.170 -0.048 0.000 0.280 166 I C -0.180 175.883 176.117 -0.090 0.000 1.027 166 I CA -0.738 60.521 61.300 -0.069 0.000 1.161 166 I CB 0.943 38.948 38.000 0.008 0.000 1.300 166 I HN 0.565 nan 8.210 nan 0.000 0.463 167 N N 5.174 123.689 118.700 -0.309 0.000 2.475 167 N HA 0.167 4.878 4.740 -0.048 0.000 0.267 167 N C -0.919 174.580 175.510 -0.019 0.000 1.169 167 N CA 0.033 53.010 53.050 -0.122 0.000 0.947 167 N CB 0.598 38.973 38.487 -0.186 0.000 1.061 167 N HN 0.544 nan 8.380 nan 0.000 0.466 168 C N 6.736 126.057 119.300 0.034 0.000 2.317 168 C HA 0.434 4.866 4.460 -0.048 0.000 0.306 168 C C -2.199 172.687 174.990 -0.173 0.000 1.087 168 C CA -1.541 57.450 59.018 -0.046 0.000 1.529 168 C CB 0.133 27.911 27.740 0.063 0.000 1.880 168 C HN 0.636 nan 8.230 nan 0.000 0.417 169 P HA 0.402 nan 4.420 nan 0.000 0.275 169 P C -0.960 176.016 177.300 -0.539 0.000 1.228 169 P CA 0.131 63.114 63.100 -0.195 0.000 0.786 169 P CB 0.690 32.322 31.700 -0.115 0.000 0.927 170 F N 0.155 120.091 119.950 -0.022 0.000 2.569 170 F HA 0.510 5.009 4.527 -0.048 0.000 0.312 170 F C 0.496 176.257 175.800 -0.065 0.000 1.109 170 F CA -0.864 57.096 58.000 -0.067 0.000 0.919 170 F CB 1.647 40.635 39.000 -0.021 0.000 1.211 170 F HN 0.284 nan 8.300 nan 0.000 0.446 171 A N 2.132 125.003 122.820 0.085 0.000 2.407 171 A HA 0.407 4.698 4.320 -0.048 0.000 0.248 171 A C -0.040 177.583 177.584 0.064 0.000 1.082 171 A CA -0.243 51.818 52.037 0.040 0.000 0.785 171 A CB 0.345 19.339 19.000 -0.010 0.000 1.020 171 A HN 0.812 nan 8.150 nan 0.000 0.489 172 E N 1.417 121.639 120.200 0.036 0.000 2.283 172 E HA 0.560 4.881 4.350 -0.048 0.000 0.267 172 E C -2.233 174.375 176.600 0.013 0.000 1.045 172 E CA -1.536 54.879 56.400 0.025 0.000 0.884 172 E CB 0.623 30.335 29.700 0.019 0.000 1.106 172 E HN 0.554 nan 8.360 nan 0.000 0.408 173 P HA 0.260 nan 4.420 nan 0.000 0.278 173 P C -1.015 176.286 177.300 0.001 0.000 1.258 173 P CA -0.338 62.765 63.100 0.005 0.000 0.811 173 P CB 0.812 32.513 31.700 0.002 0.000 1.063 178 M N 2.020 121.631 119.600 0.018 0.000 3.584 178 M HA 0.039 4.490 4.480 -0.048 0.000 0.190 178 M C 0.366 176.682 176.300 0.028 0.000 1.679 178 M CA 0.560 55.874 55.300 0.023 0.000 1.744 178 M CB -0.695 31.916 32.600 0.018 0.000 1.228 178 M HN 0.277 nan 8.290 nan 0.000 0.532 179 D N 0.792 121.212 120.400 0.034 0.000 2.223 179 D HA -0.042 4.569 4.640 -0.048 0.000 0.250 179 D C 0.457 176.785 176.300 0.046 0.000 1.287 179 D CA 0.415 54.437 54.000 0.037 0.000 0.977 179 D CB 0.663 41.489 40.800 0.043 0.000 1.177 179 D HN 0.301 nan 8.370 nan 0.000 0.536 180 D N -1.224 119.206 120.400 0.049 0.000 2.388 180 D HA 0.081 4.692 4.640 -0.048 0.000 0.221 180 D C 1.226 177.581 176.300 0.092 0.000 1.133 180 D CA 0.117 54.155 54.000 0.063 0.000 0.831 180 D CB 0.133 40.964 40.800 0.050 0.000 0.962 180 D HN 0.219 nan 8.370 nan 0.000 0.502 181 T N -0.497 114.114 114.554 0.095 0.000 2.592 181 T HA -0.171 4.150 4.350 -0.048 0.000 0.267 181 T C 1.719 176.514 174.700 0.158 0.000 1.060 181 T CA 1.763 63.923 62.100 0.100 0.000 1.167 181 T CB -0.173 68.745 68.868 0.083 0.000 0.863 181 T HN 0.315 nan 8.240 nan 0.000 0.431 182 G N -0.143 108.832 108.800 0.291 0.000 3.434 182 G HA2 0.318 4.249 3.960 -0.048 0.000 0.258 182 G HA3 0.318 4.249 3.960 -0.048 0.000 0.258 182 G C 1.144 176.326 174.900 0.470 0.000 1.128 182 G CA -0.274 45.103 45.100 0.462 0.000 0.792 182 G HN 0.275 nan 8.290 nan 0.000 0.539 183 L N 2.095 123.486 121.223 0.280 0.000 1.971 183 L HA -0.174 4.137 4.340 -0.048 0.000 0.215 183 L C 3.008 180.009 176.870 0.218 0.000 1.072 183 L CA 2.834 57.794 54.840 0.200 0.000 0.758 183 L CB -0.659 41.465 42.059 0.108 0.000 0.889 183 L HN 0.296 nan 8.230 nan 0.000 0.433 184 S N -2.177 113.648 115.700 0.209 0.000 2.419 184 S HA -0.260 4.181 4.470 -0.048 0.000 0.233 184 S C 1.729 176.481 174.600 0.254 0.000 1.016 184 S CA 0.995 59.308 58.200 0.188 0.000 0.974 184 S CB -1.394 61.895 63.200 0.149 0.000 0.786 184 S HN 0.655 nan 8.310 nan 0.000 0.492 185 W N 2.486 123.878 121.300 0.153 0.000 2.333 185 W HA -0.170 4.461 4.660 -0.049 0.000 0.316 185 W C 2.383 179.035 176.519 0.223 0.000 1.215 185 W CA 1.789 59.252 57.345 0.195 0.000 1.278 185 W CB -0.539 29.091 29.460 0.283 0.000 1.154 185 W HN 0.286 nan 8.180 nan 0.000 0.486 186 Q N -0.274 119.722 119.800 0.328 0.000 2.061 186 Q HA -0.304 4.007 4.340 -0.048 0.000 0.204 186 Q C 2.220 178.391 176.000 0.286 0.000 0.984 186 Q CA 2.135 58.072 55.803 0.223 0.000 0.846 186 Q CB -0.611 28.322 28.738 0.324 0.000 0.902 186 Q HN 0.479 nan 8.270 nan 0.000 0.421 187 Q N -0.021 119.894 119.800 0.191 0.000 2.368 187 Q HA -0.122 4.189 4.340 -0.048 0.000 0.210 187 Q C 1.677 177.782 176.000 0.175 0.000 0.982 187 Q CA 0.557 56.469 55.803 0.182 0.000 0.884 187 Q CB 0.040 28.841 28.738 0.106 0.000 0.933 187 Q HN 0.205 nan 8.270 nan 0.000 0.460 188 R N 0.282 120.835 120.500 0.087 0.000 2.293 188 R HA -0.075 4.237 4.340 -0.048 0.000 0.219 188 R C 1.651 177.982 176.300 0.051 0.000 1.091 188 R CA 0.747 56.870 56.100 0.038 0.000 1.004 188 R CB -0.246 30.020 30.300 -0.058 0.000 0.865 188 R HN 0.379 nan 8.270 nan 0.000 0.469 189 L N -0.121 121.141 121.223 0.064 0.000 2.552 189 L HA 0.041 4.352 4.340 -0.048 0.000 0.227 189 L C 1.588 178.688 176.870 0.383 0.000 1.146 189 L CA 0.418 55.293 54.840 0.058 0.000 0.858 189 L CB -0.778 41.128 42.059 -0.254 0.000 0.969 189 L HN 0.274 nan 8.230 nan 0.000 0.451 190 G N 2.310 111.320 108.800 0.350 0.000 2.672 190 G HA2 -0.460 3.471 3.960 -0.048 0.000 0.324 190 G HA3 -0.460 3.471 3.960 -0.048 0.000 0.324 190 G C 0.484 175.620 174.900 0.393 0.000 1.286 190 G CA 0.772 46.062 45.100 0.317 0.000 1.004 190 G HN 0.574 nan 8.290 nan 0.000 0.548 191 D N -0.200 120.380 120.400 0.299 0.000 2.328 191 D HA 0.098 4.709 4.640 -0.048 0.000 0.226 191 D C 1.563 178.018 176.300 0.258 0.000 1.066 191 D CA 0.867 55.018 54.000 0.252 0.000 0.861 191 D CB -0.513 40.375 40.800 0.146 0.000 0.912 191 D HN 0.597 nan 8.370 nan 0.000 0.521 192 W N 0.789 122.164 121.300 0.125 0.000 2.325 192 W HA -0.166 4.464 4.660 -0.051 0.000 0.299 192 W C 1.094 177.597 176.519 -0.027 0.000 1.215 192 W CA 1.355 58.724 57.345 0.041 0.000 1.244 192 W CB -0.523 28.996 29.460 0.098 0.000 1.140 192 W HN 0.022 nan 8.180 nan 0.000 0.523 193 W N -0.025 121.355 121.300 0.132 0.000 2.387 193 W HA -0.174 4.460 4.660 -0.044 0.000 0.272 193 W C 1.996 178.388 176.519 -0.212 0.000 1.224 193 W CA 1.430 58.706 57.345 -0.115 0.000 1.210 193 W CB -0.556 28.939 29.460 0.057 0.000 1.125 193 W HN -0.026 nan 8.180 nan 0.000 0.572 194 Q N -0.809 119.032 119.800 0.068 0.000 2.247 194 Q HA 0.056 4.367 4.340 -0.048 0.000 0.211 194 Q C 0.178 176.123 176.000 -0.092 0.000 0.861 194 Q CA 0.121 55.923 55.803 -0.002 0.000 0.949 194 Q CB 0.258 29.022 28.738 0.045 0.000 1.115 194 Q HN -0.038 nan 8.270 nan 0.000 0.507 195 D N 0.374 120.661 120.400 -0.189 0.000 2.387 195 D HA 0.012 4.624 4.640 -0.048 0.000 0.251 195 D C 0.169 176.309 176.300 -0.267 0.000 1.141 195 D CA -0.126 53.754 54.000 -0.200 0.000 0.987 195 D CB 0.974 41.661 40.800 -0.188 0.000 1.116 195 D HN 0.078 nan 8.370 nan 0.000 0.491 196 D N -0.323 119.961 120.400 -0.193 0.000 2.440 196 D HA 0.118 4.729 4.640 -0.048 0.000 0.216 196 D C -0.134 176.062 176.300 -0.174 0.000 1.150 196 D CA -0.094 53.793 54.000 -0.189 0.000 0.832 196 D CB 0.161 40.885 40.800 -0.128 0.000 0.992 196 D HN 0.094 nan 8.370 nan 0.000 0.502 197 K N 0.177 120.483 120.400 -0.156 0.000 2.352 197 K HA 0.568 4.859 4.320 -0.048 0.000 0.240 197 K C -2.767 173.830 176.600 -0.006 0.000 1.017 197 K CA -2.253 53.980 56.287 -0.091 0.000 0.851 197 K CB 1.780 34.254 32.500 -0.044 0.000 1.261 197 K HN -0.187 nan 8.250 nan 0.000 0.451 198 P HA -0.097 nan 4.420 nan 0.000 0.270 198 P C -0.007 177.513 177.300 0.367 0.000 1.223 198 P CA -0.216 62.992 63.100 0.180 0.000 0.785 198 P CB 0.436 32.137 31.700 0.002 0.000 0.923 199 W N 2.646 124.051 121.300 0.173 0.000 2.353 199 W HA -0.079 4.550 4.660 -0.052 0.000 0.319 199 W C -0.043 176.428 176.519 -0.079 0.000 1.207 199 W CA 1.108 58.367 57.345 -0.144 0.000 1.291 199 W CB -0.378 28.733 29.460 -0.582 0.000 1.159 199 W HN 0.160 nan 8.180 nan 0.000 0.478 200 L N 2.042 123.367 121.223 0.169 0.000 2.296 200 L HA 0.399 4.710 4.340 -0.048 0.000 0.286 200 L C -0.447 176.467 176.870 0.073 0.000 1.023 200 L CA -0.379 54.495 54.840 0.056 0.000 0.812 200 L CB 1.424 43.553 42.059 0.116 0.000 1.223 200 L HN -0.152 nan 8.230 nan 0.000 0.421 201 R N 4.286 124.800 120.500 0.023 0.000 2.239 201 R HA 0.385 4.696 4.340 -0.048 0.000 0.332 201 R C -0.896 175.429 176.300 0.042 0.000 0.988 201 R CA -0.274 55.849 56.100 0.040 0.000 0.859 201 R CB 0.944 31.249 30.300 0.007 0.000 1.148 201 R HN 0.601 nan 8.270 nan 0.000 0.482 202 E N 2.194 122.434 120.200 0.066 0.000 2.235 202 E HA 0.426 4.747 4.350 -0.048 0.000 0.252 202 E C -1.322 175.305 176.600 0.046 0.000 0.886 202 E CA -0.446 55.987 56.400 0.055 0.000 0.767 202 E CB 1.477 31.223 29.700 0.077 0.000 1.205 202 E HN 0.697 nan 8.360 nan 0.000 0.421 203 A N 5.509 128.353 122.820 0.041 0.000 3.365 203 A HA 0.324 4.615 4.320 -0.048 0.000 0.258 203 A C -2.386 175.223 177.584 0.042 0.000 0.964 203 A CA -0.898 51.165 52.037 0.043 0.000 0.988 203 A CB 0.137 19.166 19.000 0.047 0.000 1.193 203 A HN 0.475 nan 8.150 nan 0.000 0.508 204 P HA 0.240 nan 4.420 nan 0.000 0.269 204 P C -0.564 176.774 177.300 0.064 0.000 1.209 204 P CA 0.038 63.166 63.100 0.046 0.000 0.776 204 P CB 0.631 32.357 31.700 0.043 0.000 0.876 205 R N 1.433 121.969 120.500 0.061 0.000 2.297 205 R HA 0.421 4.732 4.340 -0.048 0.000 0.308 205 R C -0.308 176.037 176.300 0.074 0.000 1.029 205 R CA -0.986 55.165 56.100 0.084 0.000 0.929 205 R CB 0.694 31.034 30.300 0.067 0.000 1.046 205 R HN 0.370 nan 8.270 nan 0.000 0.461 206 L N 2.559 123.843 121.223 0.101 0.000 2.272 206 L HA 0.353 4.664 4.340 -0.048 0.000 0.289 206 L C -0.577 176.302 176.870 0.014 0.000 1.032 206 L CA 0.251 55.084 54.840 -0.013 0.000 0.810 206 L CB 0.913 42.840 42.059 -0.221 0.000 1.205 206 L HN 0.698 nan 8.230 nan 0.000 0.422 207 E N 2.665 122.869 120.200 0.007 0.000 2.422 207 E HA 0.331 4.652 4.350 -0.048 0.000 0.289 207 E C -1.376 175.242 176.600 0.031 0.000 0.985 207 E CA -0.508 55.916 56.400 0.039 0.000 0.812 207 E CB 1.601 31.345 29.700 0.073 0.000 1.226 207 E HN 0.587 nan 8.360 nan 0.000 0.419 208 S N 2.156 117.883 115.700 0.045 0.000 2.580 208 S HA 0.136 4.577 4.470 -0.048 0.000 0.274 208 S C -0.203 174.449 174.600 0.086 0.000 1.329 208 S CA -0.524 57.705 58.200 0.047 0.000 1.036 208 S CB 0.725 63.946 63.200 0.035 0.000 0.919 208 S HN 0.345 nan 8.310 nan 0.000 0.515 209 E N 1.408 121.646 120.200 0.064 0.000 2.371 209 E HA 0.091 4.412 4.350 -0.048 0.000 0.257 209 E C 0.046 176.714 176.600 0.113 0.000 1.134 209 E CA -0.508 55.931 56.400 0.064 0.000 0.919 209 E CB 0.533 30.256 29.700 0.038 0.000 1.025 209 E HN 0.425 nan 8.360 nan 0.000 0.438 210 K N 1.645 122.085 120.400 0.065 0.000 2.484 210 K HA -0.085 4.206 4.320 -0.048 0.000 0.280 210 K C -0.312 176.407 176.600 0.199 0.000 1.013 210 K CA -0.023 56.300 56.287 0.060 0.000 1.029 210 K CB 0.461 32.889 32.500 -0.120 0.000 0.902 210 K HN 0.251 nan 8.250 nan 0.000 0.481 211 Q N 4.290 124.375 119.800 0.475 0.000 2.324 211 Q HA 0.037 4.348 4.340 -0.048 0.000 0.257 211 Q C 0.564 176.769 176.000 0.341 0.000 1.080 211 Q CA 0.334 56.331 55.803 0.324 0.000 0.907 211 Q CB 0.944 29.840 28.738 0.263 0.000 1.274 211 Q HN 0.595 nan 8.270 nan 0.000 0.434 212 R N 1.351 121.979 120.500 0.214 0.000 2.193 212 R HA -0.143 4.168 4.340 -0.048 0.000 0.229 212 R C 0.359 176.795 176.300 0.227 0.000 1.110 212 R CA 1.403 57.591 56.100 0.148 0.000 0.988 212 R CB 0.219 30.568 30.300 0.083 0.000 0.871 212 R HN 0.548 nan 8.270 nan 0.000 0.458 213 D N -0.645 119.995 120.400 0.400 0.000 2.460 213 D HA -0.109 4.502 4.640 -0.048 0.000 0.229 213 D C 1.068 177.859 176.300 0.818 0.000 1.170 213 D CA -0.317 54.000 54.000 0.527 0.000 0.827 213 D CB -0.685 40.435 40.800 0.532 0.000 0.973 213 D HN 0.332 nan 8.370 nan 0.000 0.496 214 W N 0.312 121.965 121.300 0.589 0.000 2.388 214 W HA -0.166 4.469 4.660 -0.042 0.000 0.294 214 W C 0.359 177.298 176.519 0.700 0.000 1.212 214 W CA 0.309 58.089 57.345 0.725 0.000 1.271 214 W CB -0.155 29.725 29.460 0.701 0.000 1.126 214 W HN -0.107 nan 8.180 nan 0.000 0.535 215 F N 0.413 120.452 119.950 0.148 0.000 2.202 215 F HA -0.176 4.323 4.527 -0.047 0.000 0.301 215 F C 2.286 178.073 175.800 -0.022 0.000 1.082 215 F CA 1.084 59.053 58.000 -0.050 0.000 1.313 215 F CB -1.844 37.190 39.000 0.057 0.000 1.024 215 F HN -0.112 nan 8.300 nan 0.000 0.495 216 F N -1.082 118.948 119.950 0.133 0.000 2.084 216 F HA -0.177 4.320 4.527 -0.049 0.000 0.296 216 F C 2.047 177.778 175.800 -0.115 0.000 1.111 216 F CA 1.513 59.477 58.000 -0.059 0.000 1.224 216 F CB -0.854 38.063 39.000 -0.138 0.000 0.991 216 F HN -0.087 nan 8.300 nan 0.000 0.471 217 W N 1.364 122.683 121.300 0.031 0.000 2.476 217 W HA -0.020 4.613 4.660 -0.045 0.000 0.281 217 W C 2.482 178.838 176.519 -0.273 0.000 1.230 217 W CA 1.109 58.368 57.345 -0.143 0.000 1.287 217 W CB -0.263 29.305 29.460 0.181 0.000 1.108 217 W HN -0.002 nan 8.180 nan 0.000 0.567 218 R N 0.633 120.873 120.500 -0.433 0.000 2.339 218 R HA -0.040 4.271 4.340 -0.048 0.000 0.199 218 R C 1.082 177.187 176.300 -0.325 0.000 1.018 218 R CA 1.136 56.748 56.100 -0.812 0.000 1.036 218 R CB -0.494 28.809 30.300 -1.661 0.000 0.899 218 R HN 0.275 nan 8.270 nan 0.000 0.473 219 Q N 0.142 119.812 119.800 -0.217 0.000 2.247 219 Q HA 0.166 4.477 4.340 -0.048 0.000 0.211 219 Q C -0.156 175.765 176.000 -0.131 0.000 0.861 219 Q CA -0.208 55.503 55.803 -0.153 0.000 0.949 219 Q CB 0.631 29.237 28.738 -0.221 0.000 1.115 219 Q HN 0.057 nan 8.270 nan 0.000 0.507 220 K N 1.155 121.471 120.400 -0.140 0.000 2.318 220 K HA 0.242 4.534 4.320 -0.048 0.000 0.243 220 K C 0.158 176.522 176.600 -0.394 0.000 1.047 220 K CA -0.296 55.815 56.287 -0.294 0.000 0.937 220 K CB 0.354 32.674 32.500 -0.299 0.000 1.225 220 K HN -0.029 nan 8.250 nan 0.000 0.506 221 R N 0.483 120.539 120.500 -0.740 0.000 2.248 221 R HA 0.310 4.621 4.340 -0.048 0.000 0.337 221 R C 0.310 175.814 176.300 -1.328 0.000 1.106 221 R CA -0.214 55.005 56.100 -1.469 0.000 0.959 221 R CB 0.208 29.389 30.300 -1.864 0.000 1.075 221 R HN 0.606 nan 8.270 nan 0.000 0.480 222 G N 1.207 108.892 108.800 -1.859 0.000 2.434 222 G HA2 0.508 4.440 3.960 -0.048 0.000 0.330 222 G HA3 0.508 4.440 3.960 -0.048 0.000 0.330 222 G C -0.846 173.535 174.900 -0.864 0.000 1.155 222 G CA -0.391 43.451 45.100 -2.097 0.000 0.917 222 G HN 0.280 nan 8.290 nan 0.000 0.493 223 V N 0.540 120.280 119.914 -0.290 0.000 2.540 223 V HA 0.440 4.531 4.120 -0.048 0.000 0.302 223 V C -0.263 175.973 176.094 0.238 0.000 1.035 223 V CA -0.702 61.666 62.300 0.113 0.000 0.873 223 V CB 1.799 33.741 31.823 0.200 0.000 0.992 223 V HN 0.541 nan 8.190 nan 0.000 0.428 224 V N 5.110 125.238 119.914 0.357 0.000 2.394 224 V HA 0.501 4.592 4.120 -0.048 0.000 0.282 224 V C -0.214 176.023 176.094 0.238 0.000 1.031 224 V CA -0.523 62.002 62.300 0.375 0.000 0.881 224 V CB 1.768 33.892 31.823 0.502 0.000 0.982 224 V HN 0.607 nan 8.190 nan 0.000 0.451 225 V N 4.130 124.155 119.914 0.186 0.000 2.409 225 V HA 0.758 4.849 4.120 -0.048 0.000 0.291 225 V C 0.254 176.417 176.094 0.115 0.000 1.020 225 V CA -0.505 61.887 62.300 0.153 0.000 0.848 225 V CB 1.670 33.607 31.823 0.190 0.000 0.990 225 V HN 0.971 nan 8.190 nan 0.000 0.430 226 A N 3.911 126.790 122.820 0.098 0.000 2.273 226 A HA 0.864 5.155 4.320 -0.048 0.000 0.315 226 A C 0.444 178.053 177.584 0.042 0.000 1.256 226 A CA 0.106 52.181 52.037 0.064 0.000 0.851 226 A CB 1.027 20.069 19.000 0.071 0.000 1.172 226 A HN 0.950 nan 8.150 nan 0.000 0.508 227 G N 0.727 109.543 108.800 0.026 0.000 2.695 227 G HA2 0.430 4.361 3.960 -0.048 0.000 0.213 227 G HA3 0.430 4.361 3.960 -0.048 0.000 0.213 227 G C 0.158 175.054 174.900 -0.006 0.000 1.406 227 G CA -0.852 44.255 45.100 0.013 0.000 1.049 227 G HN 0.828 nan 8.290 nan 0.000 0.573 228 R N 0.398 120.891 120.500 -0.013 0.000 2.502 228 R HA 0.242 4.553 4.340 -0.048 0.000 0.292 228 R C -0.078 176.208 176.300 -0.023 0.000 0.998 228 R CA 0.766 56.852 56.100 -0.023 0.000 1.056 228 R CB -0.366 29.924 30.300 -0.016 0.000 0.939 228 R HN 0.595 nan 8.270 nan 0.000 0.411 229 M N 0.695 120.276 119.600 -0.032 0.000 3.008 229 M HA 0.299 4.750 4.480 -0.048 0.000 0.271 229 M C -0.612 175.664 176.300 -0.040 0.000 1.265 229 M CA -1.056 54.227 55.300 -0.028 0.000 0.817 229 M CB 1.444 34.026 32.600 -0.029 0.000 1.638 229 M HN 0.467 nan 8.290 nan 0.000 0.479 230 S N 0.677 116.361 115.700 -0.026 0.000 2.600 230 S HA 0.590 5.032 4.470 -0.048 0.000 0.265 230 S C 1.065 175.636 174.600 -0.048 0.000 1.325 230 S CA -0.031 58.151 58.200 -0.030 0.000 1.002 230 S CB 1.254 64.453 63.200 -0.001 0.000 0.921 230 S HN 0.992 nan 8.310 nan 0.000 0.554 231 A N 1.285 124.065 122.820 -0.066 0.000 1.908 231 A HA -0.096 4.195 4.320 -0.048 0.000 0.218 231 A C 2.207 179.777 177.584 -0.023 0.000 1.181 231 A CA 1.529 53.532 52.037 -0.056 0.000 0.627 231 A CB -0.974 17.983 19.000 -0.073 0.000 0.818 231 A HN 0.892 nan 8.150 nan 0.000 0.445 232 E N 0.071 120.263 120.200 -0.014 0.000 2.077 232 E HA -0.197 4.125 4.350 -0.048 0.000 0.193 232 E C 1.913 178.513 176.600 0.000 0.000 0.989 232 E CA 1.516 57.914 56.400 -0.003 0.000 0.800 232 E CB -0.353 29.347 29.700 0.001 0.000 0.746 232 E HN 0.804 nan 8.360 nan 0.000 0.452 233 E N -0.012 120.185 120.200 -0.006 0.000 2.107 233 E HA -0.075 4.246 4.350 -0.048 0.000 0.191 233 E C 2.174 178.773 176.600 -0.001 0.000 0.982 233 E CA 0.735 57.129 56.400 -0.009 0.000 0.809 233 E CB -0.240 29.449 29.700 -0.018 0.000 0.756 233 E HN 0.273 nan 8.360 nan 0.000 0.459 234 G N 1.988 110.787 108.800 -0.002 0.000 2.476 234 G HA2 -0.321 3.610 3.960 -0.048 0.000 0.218 234 G HA3 -0.321 3.610 3.960 -0.048 0.000 0.218 234 G C 1.494 176.412 174.900 0.030 0.000 1.164 234 G CA 0.969 46.075 45.100 0.011 0.000 0.768 234 G HN 0.135 nan 8.290 nan 0.000 0.560 235 K N 0.143 120.559 120.400 0.026 0.000 2.103 235 K HA 0.033 4.324 4.320 -0.048 0.000 0.204 235 K C 2.565 179.198 176.600 0.055 0.000 1.052 235 K CA 0.972 57.282 56.287 0.038 0.000 0.945 235 K CB -0.070 32.447 32.500 0.028 0.000 0.722 235 K HN 0.195 nan 8.250 nan 0.000 0.443 236 K N 0.447 120.875 120.400 0.047 0.000 2.057 236 K HA -0.074 4.218 4.320 -0.048 0.000 0.206 236 K C 1.992 178.659 176.600 0.111 0.000 1.050 236 K CA 0.924 57.249 56.287 0.063 0.000 0.935 236 K CB 0.014 32.530 32.500 0.027 0.000 0.715 236 K HN -0.083 nan 8.250 nan 0.000 0.439 237 V N 1.329 121.294 119.914 0.084 0.000 2.407 237 V HA -0.259 3.832 4.120 -0.048 0.000 0.248 237 V C 2.286 178.531 176.094 0.251 0.000 1.055 237 V CA 1.991 64.380 62.300 0.148 0.000 1.049 237 V CB -0.588 31.283 31.823 0.079 0.000 0.662 237 V HN 0.361 nan 8.190 nan 0.000 0.455 238 A N -0.392 122.524 122.820 0.160 0.000 1.908 238 A HA -0.193 4.098 4.320 -0.048 0.000 0.218 238 A C 2.265 179.933 177.584 0.140 0.000 1.181 238 A CA 1.850 53.968 52.037 0.135 0.000 0.627 238 A CB -0.533 18.518 19.000 0.085 0.000 0.818 238 A HN 0.399 nan 8.150 nan 0.000 0.445 239 L N -2.066 119.245 121.223 0.147 0.000 2.005 239 L HA -0.147 4.164 4.340 -0.048 0.000 0.207 239 L C 2.321 179.293 176.870 0.171 0.000 1.072 239 L CA 2.295 57.211 54.840 0.128 0.000 0.744 239 L CB -1.165 40.967 42.059 0.122 0.000 0.895 239 L HN 0.756 nan 8.230 nan 0.000 0.433 240 W N 0.871 122.184 121.300 0.023 0.000 2.317 240 W HA -0.302 4.332 4.660 -0.044 0.000 0.318 240 W C 2.516 179.030 176.519 -0.008 0.000 1.227 240 W CA 2.900 60.258 57.345 0.021 0.000 1.269 240 W CB -0.250 29.248 29.460 0.063 0.000 1.155 240 W HN 0.249 nan 8.180 nan 0.000 0.484 241 A N -0.376 122.592 122.820 0.247 0.000 1.972 241 A HA -0.273 4.018 4.320 -0.048 0.000 0.219 241 A C 2.030 179.582 177.584 -0.054 0.000 1.169 241 A CA 1.865 53.938 52.037 0.060 0.000 0.635 241 A CB -0.980 18.166 19.000 0.243 0.000 0.810 241 A HN 0.556 nan 8.150 nan 0.000 0.446 242 Q N -0.748 119.047 119.800 -0.010 0.000 2.046 242 Q HA -0.137 4.174 4.340 -0.048 0.000 0.200 242 Q C 2.071 178.013 176.000 -0.096 0.000 0.975 242 Q CA 2.004 57.787 55.803 -0.034 0.000 0.836 242 Q CB -0.284 28.451 28.738 -0.005 0.000 0.896 242 Q HN 0.622 nan 8.270 nan 0.000 0.428 243 T N 1.776 116.255 114.554 -0.125 0.000 2.759 243 T HA -0.127 4.194 4.350 -0.048 0.000 0.269 243 T C 1.804 176.340 174.700 -0.274 0.000 1.042 243 T CA 1.110 63.109 62.100 -0.168 0.000 1.140 243 T CB -0.155 68.624 68.868 -0.149 0.000 0.864 243 T HN 0.249 nan 8.240 nan 0.000 0.455 244 L N 0.240 121.188 121.223 -0.458 0.000 2.395 244 L HA 0.210 4.521 4.340 -0.048 0.000 0.218 244 L C 1.974 178.646 176.870 -0.331 0.000 1.130 244 L CA 0.533 54.973 54.840 -0.666 0.000 0.826 244 L CB -0.561 40.638 42.059 -1.434 0.000 0.941 244 L HN 0.491 nan 8.230 nan 0.000 0.451 245 G N -1.499 107.229 108.800 -0.120 0.000 2.147 245 G HA2 -0.236 3.695 3.960 -0.048 0.000 0.244 245 G HA3 -0.236 3.695 3.960 -0.048 0.000 0.244 245 G C -0.413 174.672 174.900 0.308 0.000 1.005 245 G CA -0.410 44.741 45.100 0.084 0.000 0.713 245 G HN 0.157 nan 8.290 nan 0.000 0.515 246 W N 0.750 122.025 121.300 -0.042 0.000 2.551 246 W HA 0.604 5.234 4.660 -0.050 0.000 0.330 246 W C -1.743 174.721 176.519 -0.092 0.000 1.063 246 W CA -3.183 54.161 57.345 -0.001 0.000 1.222 246 W CB 0.735 30.262 29.460 0.112 0.000 1.349 246 W HN -0.001 nan 8.180 nan 0.000 0.536 247 P HA 0.131 nan 4.420 nan 0.000 0.271 247 P C -0.919 176.450 177.300 0.115 0.000 1.218 247 P CA -0.232 62.847 63.100 -0.036 0.000 0.780 247 P CB 1.330 32.916 31.700 -0.190 0.000 0.901 248 L N 4.117 125.404 121.223 0.107 0.000 2.342 248 L HA 0.438 4.749 4.340 -0.048 0.000 0.276 248 L C -0.689 176.269 176.870 0.147 0.000 0.997 248 L CA -0.728 54.205 54.840 0.155 0.000 0.838 248 L CB 0.315 42.463 42.059 0.149 0.000 1.224 248 L HN 0.210 nan 8.230 nan 0.000 0.416 249 I N 5.211 125.866 120.570 0.142 0.000 2.291 249 I HA 0.418 4.559 4.170 -0.048 0.000 0.292 249 I C 0.854 177.024 176.117 0.088 0.000 1.064 249 I CA -0.208 61.162 61.300 0.117 0.000 1.269 249 I CB 1.073 39.090 38.000 0.028 0.000 1.418 249 I HN 0.788 nan 8.210 nan 0.000 0.485 250 G N 4.152 113.001 108.800 0.082 0.000 2.347 250 G HA2 0.266 4.197 3.960 -0.048 0.000 0.314 250 G HA3 0.266 4.197 3.960 -0.048 0.000 0.314 250 G C -0.650 174.267 174.900 0.029 0.000 1.126 250 G CA -0.374 44.762 45.100 0.059 0.000 0.929 250 G HN 0.594 nan 8.290 nan 0.000 0.441 251 D N 1.106 121.517 120.400 0.018 0.000 2.368 251 D HA 0.110 4.721 4.640 -0.048 0.000 0.240 251 D C 1.967 178.262 176.300 -0.009 0.000 1.169 251 D CA -0.214 53.784 54.000 -0.002 0.000 0.906 251 D CB 1.349 42.148 40.800 -0.002 0.000 1.187 251 D HN 0.150 nan 8.370 nan 0.000 0.435 252 V N 1.252 121.153 119.914 -0.020 0.000 2.546 252 V HA -0.233 3.858 4.120 -0.048 0.000 0.254 252 V C 1.912 177.985 176.094 -0.035 0.000 1.076 252 V CA 1.452 63.737 62.300 -0.026 0.000 1.087 252 V CB -1.053 30.749 31.823 -0.035 0.000 0.674 252 V HN 0.530 nan 8.190 nan 0.000 0.470 253 L N 1.310 122.510 121.223 -0.040 0.000 2.591 253 L HA 0.069 4.380 4.340 -0.048 0.000 0.228 253 L C 2.458 179.298 176.870 -0.049 0.000 1.133 253 L CA 0.851 55.657 54.840 -0.056 0.000 0.880 253 L CB -0.412 41.614 42.059 -0.054 0.000 1.033 253 L HN 0.529 nan 8.230 nan 0.000 0.450 254 S N -1.037 114.647 115.700 -0.026 0.000 2.446 254 S HA -0.112 4.329 4.470 -0.048 0.000 0.225 254 S C 1.046 175.638 174.600 -0.014 0.000 1.016 254 S CA -0.027 58.165 58.200 -0.013 0.000 0.943 254 S CB -0.044 63.162 63.200 0.011 0.000 0.786 254 S HN 0.450 nan 8.310 nan 0.000 0.508 255 Q N 0.885 120.678 119.800 -0.012 0.000 2.461 255 Q HA -0.158 4.154 4.340 -0.048 0.000 0.273 255 Q C 0.877 176.886 176.000 0.016 0.000 1.163 255 Q CA 1.106 56.910 55.803 0.001 0.000 0.929 255 Q CB -2.635 26.091 28.738 -0.020 0.000 1.334 255 Q HN 0.912 nan 8.270 nan 0.000 0.499 256 T N -5.354 109.214 114.554 0.023 0.000 3.081 256 T HA 0.356 4.677 4.350 -0.048 0.000 0.255 256 T C 1.563 176.285 174.700 0.037 0.000 1.113 256 T CA 0.564 62.687 62.100 0.039 0.000 1.082 256 T CB 0.638 69.540 68.868 0.056 0.000 0.939 256 T HN 0.999 nan 8.240 nan 0.000 0.506 257 G N 1.566 110.382 108.800 0.027 0.000 2.175 257 G HA2 -0.302 3.629 3.960 -0.048 0.000 0.244 257 G HA3 -0.302 3.629 3.960 -0.048 0.000 0.244 257 G C 0.160 175.073 174.900 0.021 0.000 0.982 257 G CA -0.104 45.007 45.100 0.018 0.000 0.641 257 G HN 0.640 nan 8.290 nan 0.000 0.527 258 Q N -1.206 118.614 119.800 0.034 0.000 2.437 258 Q HA -0.199 4.112 4.340 -0.048 0.000 0.354 258 Q C -0.828 175.202 176.000 0.050 0.000 1.402 258 Q CA 0.643 56.475 55.803 0.049 0.000 1.020 258 Q CB -0.844 27.920 28.738 0.043 0.000 1.220 258 Q HN 0.576 nan 8.270 nan 0.000 0.368 259 P HA -0.173 nan 4.420 nan 0.000 0.223 259 P C 0.254 177.558 177.300 0.008 0.000 1.144 259 P CA 1.272 64.382 63.100 0.018 0.000 0.783 259 P CB 0.259 31.966 31.700 0.012 0.000 0.771 260 L N 1.298 122.556 121.223 0.058 0.000 2.679 260 L HA 0.365 4.676 4.340 -0.048 0.000 0.238 260 L C -2.114 174.932 176.870 0.293 0.000 1.330 260 L CA -2.184 52.704 54.840 0.079 0.000 0.935 260 L CB 0.923 43.009 42.059 0.045 0.000 1.243 260 L HN -0.130 nan 8.230 nan 0.000 0.484 261 P HA -0.043 nan 4.420 nan 0.000 0.271 261 P C 0.466 177.933 177.300 0.279 0.000 1.238 261 P CA -0.015 63.191 63.100 0.178 0.000 0.794 261 P CB 0.724 32.484 31.700 0.099 0.000 0.959 262 C N -1.413 117.969 119.300 0.137 0.000 4.268 262 C HA -0.120 4.311 4.460 -0.048 0.000 0.299 262 C C 2.168 177.047 174.990 -0.186 0.000 1.429 262 C CA 0.240 59.292 59.018 0.055 0.000 2.018 262 C CB -3.351 24.452 27.740 0.104 0.000 1.277 262 C HN 0.735 nan 8.230 nan 0.000 0.767 263 A N 0.307 122.864 122.820 -0.440 0.000 1.986 263 A HA -0.236 4.055 4.320 -0.048 0.000 0.220 263 A C 1.810 178.833 177.584 -0.935 0.000 1.171 263 A CA 2.458 53.674 52.037 -1.368 0.000 0.640 263 A CB -0.432 18.045 19.000 -0.872 0.000 0.811 263 A HN 0.736 nan 8.150 nan 0.000 0.451 264 D N -0.974 119.155 120.400 -0.452 0.000 2.350 264 D HA -0.033 4.578 4.640 -0.048 0.000 0.216 264 D C 1.619 177.776 176.300 -0.237 0.000 0.968 264 D CA 0.883 54.708 54.000 -0.292 0.000 0.894 264 D CB -0.039 40.663 40.800 -0.164 0.000 0.909 264 D HN 0.532 nan 8.370 nan 0.000 0.520 265 L N -0.545 120.536 121.223 -0.237 0.000 2.276 265 L HA 0.132 4.443 4.340 -0.048 0.000 0.194 265 L C 2.362 179.190 176.870 -0.069 0.000 1.099 265 L CA 0.171 54.944 54.840 -0.112 0.000 0.800 265 L CB -0.974 41.066 42.059 -0.031 0.000 0.994 265 L HN 0.273 nan 8.230 nan 0.000 0.475 266 W N 0.611 121.870 121.300 -0.069 0.000 2.538 266 W HA -0.088 4.543 4.660 -0.048 0.000 0.254 266 W C 1.390 177.856 176.519 -0.089 0.000 1.249 266 W CA 0.294 57.592 57.345 -0.078 0.000 1.253 266 W CB -0.690 28.719 29.460 -0.086 0.000 1.130 266 W HN 0.186 nan 8.180 nan 0.000 0.618 267 L N 1.503 122.544 121.223 -0.303 0.000 2.376 267 L HA 0.083 4.394 4.340 -0.048 0.000 0.219 267 L C 2.558 179.390 176.870 -0.064 0.000 1.133 267 L CA 1.202 55.879 54.840 -0.272 0.000 0.816 267 L CB -0.867 40.892 42.059 -0.499 0.000 0.933 267 L HN 0.100 nan 8.230 nan 0.000 0.449 268 G N -1.037 107.738 108.800 -0.042 0.000 3.141 268 G HA2 -0.095 3.836 3.960 -0.048 0.000 0.218 268 G HA3 -0.095 3.836 3.960 -0.048 0.000 0.218 268 G C 0.434 175.350 174.900 0.027 0.000 1.170 268 G CA -0.247 44.850 45.100 -0.005 0.000 0.769 268 G HN 0.160 nan 8.290 nan 0.000 0.546 269 N N 0.713 119.450 118.700 0.063 0.000 2.438 269 N HA 0.368 5.079 4.740 -0.048 0.000 0.282 269 N C 1.301 176.863 175.510 0.087 0.000 1.037 269 N CA 0.100 53.197 53.050 0.078 0.000 0.942 269 N CB 1.823 40.370 38.487 0.099 0.000 1.136 269 N HN -0.066 nan 8.380 nan 0.000 0.481 270 A N 4.489 127.355 122.820 0.077 0.000 2.019 270 A HA -0.122 4.169 4.320 -0.048 0.000 0.219 270 A C 1.902 179.528 177.584 0.071 0.000 1.164 270 A CA 1.289 53.372 52.037 0.077 0.000 0.644 270 A CB -0.119 18.923 19.000 0.069 0.000 0.805 270 A HN 0.809 nan 8.150 nan 0.000 0.449 271 K N -0.075 120.359 120.400 0.056 0.000 2.097 271 K HA -0.001 4.290 4.320 -0.048 0.000 0.205 271 K C 2.261 178.879 176.600 0.030 0.000 1.050 271 K CA 1.110 57.417 56.287 0.034 0.000 0.938 271 K CB -0.293 32.214 32.500 0.012 0.000 0.718 271 K HN 0.433 nan 8.250 nan 0.000 0.442 272 A N 1.268 124.120 122.820 0.053 0.000 1.855 272 A HA -0.160 4.131 4.320 -0.048 0.000 0.215 272 A C 2.350 179.991 177.584 0.095 0.000 1.191 272 A CA 2.145 54.224 52.037 0.071 0.000 0.613 272 A CB -1.244 17.897 19.000 0.234 0.000 0.829 272 A HN 0.444 nan 8.150 nan 0.000 0.442 273 T N -2.804 111.821 114.554 0.119 0.000 2.788 273 T HA -0.139 4.182 4.350 -0.048 0.000 0.268 273 T C 2.066 176.871 174.700 0.175 0.000 1.044 273 T CA 1.809 64.005 62.100 0.160 0.000 1.139 273 T CB -0.659 68.319 68.868 0.184 0.000 0.867 273 T HN 0.247 nan 8.240 nan 0.000 0.454 274 S N 1.021 116.798 115.700 0.127 0.000 2.382 274 S HA -0.130 4.311 4.470 -0.048 0.000 0.228 274 S C 2.144 176.822 174.600 0.130 0.000 1.027 274 S CA 1.524 59.794 58.200 0.116 0.000 0.991 274 S CB -0.421 62.828 63.200 0.082 0.000 0.823 274 S HN 0.727 nan 8.310 nan 0.000 0.469 275 E N 0.292 120.558 120.200 0.110 0.000 2.072 275 E HA -0.050 4.272 4.350 -0.048 0.000 0.191 275 E C 1.990 178.742 176.600 0.252 0.000 0.985 275 E CA 0.808 57.287 56.400 0.132 0.000 0.801 275 E CB -0.095 29.607 29.700 0.003 0.000 0.750 275 E HN 0.453 nan 8.360 nan 0.000 0.452 276 L N 0.636 121.988 121.223 0.215 0.000 2.131 276 L HA -0.206 4.105 4.340 -0.048 0.000 0.210 276 L C 2.578 179.673 176.870 0.375 0.000 1.092 276 L CA 1.062 56.096 54.840 0.324 0.000 0.759 276 L CB -0.384 41.825 42.059 0.250 0.000 0.903 276 L HN 0.231 nan 8.230 nan 0.000 0.435 277 Q N -0.202 119.772 119.800 0.290 0.000 2.248 277 Q HA -0.272 4.039 4.340 -0.048 0.000 0.208 277 Q C 2.047 178.130 176.000 0.139 0.000 0.984 277 Q CA 1.388 57.317 55.803 0.210 0.000 0.875 277 Q CB -0.094 28.739 28.738 0.158 0.000 0.910 277 Q HN 0.619 nan 8.270 nan 0.000 0.433 278 Q N -0.296 119.592 119.800 0.147 0.000 2.435 278 Q HA 0.087 4.398 4.340 -0.048 0.000 0.207 278 Q C 0.229 176.117 176.000 -0.186 0.000 0.956 278 Q CA 0.033 55.843 55.803 0.011 0.000 0.917 278 Q CB 0.168 28.946 28.738 0.067 0.000 0.997 278 Q HN 0.208 nan 8.270 nan 0.000 0.497 279 A N 1.126 123.918 122.820 -0.046 0.000 2.548 279 A HA -0.074 4.217 4.320 -0.048 0.000 0.247 279 A C 0.626 178.107 177.584 -0.172 0.000 1.067 279 A CA 0.221 52.159 52.037 -0.165 0.000 0.757 279 A CB 0.316 19.409 19.000 0.155 0.000 0.996 279 A HN 0.323 nan 8.150 nan 0.000 0.504 280 Q N 1.412 121.036 119.800 -0.293 0.000 2.391 280 Q HA 0.349 4.660 4.340 -0.048 0.000 0.211 280 Q C 0.143 176.103 176.000 -0.066 0.000 0.908 280 Q CA 0.580 56.305 55.803 -0.130 0.000 0.920 280 Q CB 0.537 29.193 28.738 -0.136 0.000 1.056 280 Q HN 0.823 nan 8.270 nan 0.000 0.523 281 I N -0.023 120.401 120.570 -0.243 0.000 2.656 281 I HA 0.317 4.458 4.170 -0.048 0.000 0.292 281 I C -1.644 174.240 176.117 -0.389 0.000 1.144 281 I CA -1.141 59.932 61.300 -0.378 0.000 1.038 281 I CB 2.096 39.794 38.000 -0.503 0.000 1.244 281 I HN -0.324 nan 8.210 nan 0.000 0.420 282 V N 7.459 127.128 119.914 -0.409 0.000 2.384 282 V HA 0.390 4.481 4.120 -0.048 0.000 0.287 282 V C -0.316 175.487 176.094 -0.486 0.000 1.020 282 V CA -0.680 61.374 62.300 -0.410 0.000 0.850 282 V CB 1.451 32.935 31.823 -0.566 0.000 0.987 282 V HN 0.459 nan 8.190 nan 0.000 0.436 283 V N 5.203 125.020 119.914 -0.161 0.000 2.334 283 V HA 0.321 4.412 4.120 -0.048 0.000 0.267 283 V C 0.195 176.275 176.094 -0.023 0.000 1.040 283 V CA -0.317 61.973 62.300 -0.016 0.000 0.866 283 V CB 1.133 33.149 31.823 0.321 0.000 1.019 283 V HN 0.956 nan 8.190 nan 0.000 0.468 284 Q N 5.178 124.899 119.800 -0.131 0.000 2.322 284 Q HA 0.411 4.722 4.340 -0.048 0.000 0.256 284 Q C -1.445 174.513 176.000 -0.071 0.000 0.960 284 Q CA -0.746 55.034 55.803 -0.038 0.000 0.934 284 Q CB 1.082 29.847 28.738 0.044 0.000 1.200 284 Q HN 0.525 nan 8.270 nan 0.000 0.435 285 L N 4.177 125.367 121.223 -0.055 0.000 2.272 285 L HA 0.652 4.963 4.340 -0.048 0.000 0.289 285 L C 0.806 177.638 176.870 -0.063 0.000 1.032 285 L CA 0.466 55.232 54.840 -0.123 0.000 0.810 285 L CB -0.027 41.948 42.059 -0.140 0.000 1.205 285 L HN 0.946 nan 8.230 nan 0.000 0.422 286 G N 3.205 111.961 108.800 -0.074 0.000 2.698 286 G HA2 0.022 3.953 3.960 -0.048 0.000 0.225 286 G HA3 0.022 3.953 3.960 -0.048 0.000 0.225 286 G C -0.298 174.596 174.900 -0.010 0.000 1.345 286 G CA -0.138 44.940 45.100 -0.037 0.000 0.871 286 G HN 1.037 nan 8.290 nan 0.000 0.540 287 S N -2.928 112.772 115.700 -0.001 0.000 3.003 287 S HA 0.789 5.230 4.470 -0.048 0.000 0.313 287 S C 0.503 175.108 174.600 0.007 0.000 1.230 287 S CA 0.695 58.903 58.200 0.012 0.000 0.977 287 S CB 0.936 64.143 63.200 0.010 0.000 1.340 287 S HN 2.504 nan 8.310 nan 0.000 0.608 288 S N 0.708 116.412 115.700 0.006 0.000 3.608 288 S HA -0.096 4.345 4.470 -0.048 0.000 0.382 288 S C -0.207 174.392 174.600 -0.001 0.000 0.945 288 S CA 0.040 58.239 58.200 -0.001 0.000 1.256 288 S CB -1.725 61.470 63.200 -0.008 0.000 0.913 288 S HN 0.635 nan 8.310 nan 0.000 0.518 289 L N 1.154 122.383 121.223 0.011 0.000 2.485 289 L HA 0.186 4.498 4.340 -0.048 0.000 0.275 289 L C 1.785 178.655 176.870 -0.001 0.000 1.207 289 L CA 1.074 55.923 54.840 0.015 0.000 0.855 289 L CB 0.109 42.193 42.059 0.042 0.000 1.114 289 L HN 0.447 nan 8.230 nan 0.000 0.485 290 T N 0.950 115.498 114.554 -0.010 0.000 3.004 290 T HA 0.111 4.432 4.350 -0.048 0.000 0.243 290 T C 0.833 175.518 174.700 -0.025 0.000 1.020 290 T CA 0.501 62.587 62.100 -0.023 0.000 1.145 290 T CB -0.036 68.813 68.868 -0.032 0.000 0.876 290 T HN 0.735 nan 8.240 nan 0.000 0.449 291 G N 1.284 110.065 108.800 -0.031 0.000 2.398 291 G HA2 0.225 4.156 3.960 -0.048 0.000 0.246 291 G HA3 0.225 4.156 3.960 -0.048 0.000 0.246 291 G C 0.721 175.603 174.900 -0.030 0.000 1.289 291 G CA -0.317 44.756 45.100 -0.045 0.000 0.869 291 G HN 0.268 nan 8.290 nan 0.000 0.543 292 K N 1.173 121.554 120.400 -0.032 0.000 2.034 292 K HA -0.189 4.102 4.320 -0.048 0.000 0.214 292 K C 2.614 179.206 176.600 -0.014 0.000 1.051 292 K CA 1.452 57.726 56.287 -0.021 0.000 0.931 292 K CB -0.003 32.483 32.500 -0.023 0.000 0.715 292 K HN 0.385 nan 8.250 nan 0.000 0.446 293 R N 0.382 120.859 120.500 -0.040 0.000 2.066 293 R HA -0.109 4.202 4.340 -0.048 0.000 0.232 293 R C 2.376 178.687 176.300 0.019 0.000 1.131 293 R CA 1.011 57.090 56.100 -0.036 0.000 0.955 293 R CB -1.100 29.126 30.300 -0.124 0.000 0.851 293 R HN 0.268 nan 8.270 nan 0.000 0.432 294 L N 1.280 122.490 121.223 -0.021 0.000 2.042 294 L HA -0.126 4.185 4.340 -0.048 0.000 0.210 294 L C 2.174 179.138 176.870 0.156 0.000 1.076 294 L CA 1.575 56.460 54.840 0.074 0.000 0.749 294 L CB -0.533 41.524 42.059 -0.003 0.000 0.893 294 L HN 0.065 nan 8.230 nan 0.000 0.432 295 L N -1.041 120.225 121.223 0.072 0.000 2.046 295 L HA -0.238 4.073 4.340 -0.048 0.000 0.208 295 L C 2.632 179.529 176.870 0.045 0.000 1.077 295 L CA 1.514 56.384 54.840 0.051 0.000 0.747 295 L CB -0.769 41.298 42.059 0.012 0.000 0.896 295 L HN 0.367 nan 8.230 nan 0.000 0.432 296 Q N -1.095 118.738 119.800 0.055 0.000 2.084 296 Q HA -0.258 4.053 4.340 -0.048 0.000 0.202 296 Q C 2.041 178.089 176.000 0.080 0.000 0.978 296 Q CA 2.023 57.854 55.803 0.046 0.000 0.844 296 Q CB -0.368 28.400 28.738 0.050 0.000 0.898 296 Q HN 0.569 nan 8.270 nan 0.000 0.426 297 W N 1.812 123.104 121.300 -0.014 0.000 2.358 297 W HA -0.200 4.431 4.660 -0.049 0.000 0.303 297 W C 2.311 178.859 176.519 0.049 0.000 1.208 297 W CA 1.487 58.839 57.345 0.012 0.000 1.274 297 W CB -0.189 29.267 29.460 -0.006 0.000 1.138 297 W HN 0.078 nan 8.180 nan 0.000 0.515 298 Q N 0.834 120.601 119.800 -0.054 0.000 2.077 298 Q HA -0.231 4.080 4.340 -0.048 0.000 0.206 298 Q C 2.247 178.101 176.000 -0.244 0.000 0.989 298 Q CA 2.501 58.174 55.803 -0.217 0.000 0.853 298 Q CB -1.018 27.748 28.738 0.046 0.000 0.907 298 Q HN 0.372 nan 8.270 nan 0.000 0.418 299 A N 0.301 123.026 122.820 -0.157 0.000 1.978 299 A HA -0.161 4.131 4.320 -0.048 0.000 0.220 299 A C 2.165 179.635 177.584 -0.189 0.000 1.170 299 A CA 2.297 54.234 52.037 -0.167 0.000 0.636 299 A CB -0.503 18.420 19.000 -0.129 0.000 0.810 299 A HN 0.576 nan 8.150 nan 0.000 0.448 300 S N -1.347 114.228 115.700 -0.210 0.000 2.511 300 S HA 0.061 4.503 4.470 -0.048 0.000 0.214 300 S C 0.983 175.467 174.600 -0.195 0.000 0.997 300 S CA 0.174 58.272 58.200 -0.169 0.000 0.908 300 S CB -1.621 61.520 63.200 -0.098 0.000 0.803 300 S HN 0.944 nan 8.310 nan 0.000 0.504 301 C N 1.346 120.412 119.300 -0.390 0.000 2.705 301 C HA 0.616 5.047 4.460 -0.048 0.000 0.382 301 C C 0.446 175.402 174.990 -0.057 0.000 1.322 301 C CA -0.535 58.243 59.018 -0.400 0.000 2.290 301 C CB -0.166 26.995 27.740 -0.966 0.000 2.650 301 C HN 0.568 nan 8.230 nan 0.000 0.695 302 E N 1.414 121.607 120.200 -0.012 0.000 4.230 302 E HA 0.300 4.621 4.350 -0.048 0.000 0.216 302 E C -2.180 174.458 176.600 0.064 0.000 1.132 302 E CA -0.837 55.604 56.400 0.069 0.000 1.404 302 E CB 0.536 30.267 29.700 0.053 0.000 1.183 302 E HN 0.743 nan 8.360 nan 0.000 0.431 303 P HA -0.012 nan 4.420 nan 0.000 0.271 303 P C 0.557 177.899 177.300 0.071 0.000 1.244 303 P CA 0.003 63.117 63.100 0.024 0.000 0.793 303 P CB 1.151 32.825 31.700 -0.043 0.000 0.984 304 E N -0.450 119.808 120.200 0.097 0.000 2.150 304 E HA -0.120 4.201 4.350 -0.048 0.000 0.193 304 E C 0.022 176.706 176.600 0.141 0.000 0.985 304 E CA 1.008 57.518 56.400 0.183 0.000 0.814 304 E CB 0.315 30.234 29.700 0.366 0.000 0.752 304 E HN 0.487 nan 8.360 nan 0.000 0.466 305 E N -1.200 118.999 120.200 -0.000 0.000 2.343 305 E HA 0.189 4.511 4.350 -0.048 0.000 0.278 305 E C -1.828 174.761 176.600 -0.019 0.000 0.910 305 E CA -0.638 55.763 56.400 0.002 0.000 0.757 305 E CB 1.640 31.266 29.700 -0.123 0.000 1.218 305 E HN 0.011 nan 8.360 nan 0.000 0.435 306 Y N 1.765 122.084 120.300 0.031 0.000 2.341 306 Y HA 0.407 4.927 4.550 -0.051 0.000 0.338 306 Y C -1.474 174.598 175.900 0.288 0.000 0.965 306 Y CA -0.674 57.418 58.100 -0.015 0.000 1.108 306 Y CB 0.897 39.217 38.460 -0.234 0.000 1.180 306 Y HN 0.451 nan 8.280 nan 0.000 0.458 307 W N 7.277 128.431 121.300 -0.243 0.000 2.632 307 W HA 0.634 5.271 4.660 -0.039 0.000 0.328 307 W C -1.196 175.214 176.519 -0.182 0.000 1.044 307 W CA -1.660 55.588 57.345 -0.162 0.000 1.225 307 W CB 1.147 30.499 29.460 -0.181 0.000 1.396 307 W HN 0.318 nan 8.180 nan 0.000 0.499 308 I N 3.748 124.365 120.570 0.079 0.000 2.410 308 I HA 0.316 4.457 4.170 -0.048 0.000 0.286 308 I C -0.654 175.345 176.117 -0.198 0.000 1.009 308 I CA -1.112 60.172 61.300 -0.026 0.000 1.111 308 I CB 1.482 39.517 38.000 0.058 0.000 1.262 308 I HN -0.127 nan 8.210 nan 0.000 0.443 309 V N 5.152 124.867 119.914 -0.332 0.000 2.347 309 V HA 0.523 4.614 4.120 -0.048 0.000 0.280 309 V C -0.561 175.354 176.094 -0.300 0.000 1.021 309 V CA -0.183 61.803 62.300 -0.522 0.000 0.847 309 V CB 1.515 32.758 31.823 -0.966 0.000 0.990 309 V HN 0.670 nan 8.190 nan 0.000 0.444 310 D N 2.456 122.733 120.400 -0.204 0.000 2.706 310 D HA 0.198 4.809 4.640 -0.048 0.000 0.225 310 D C -0.178 176.097 176.300 -0.042 0.000 1.241 310 D CA -0.383 53.555 54.000 -0.103 0.000 0.784 310 D CB 2.470 43.232 40.800 -0.064 0.000 1.521 310 D HN 0.601 nan 8.370 nan 0.000 0.461 311 D N 1.596 122.001 120.400 0.009 0.000 2.349 311 D HA 0.017 4.628 4.640 -0.048 0.000 0.224 311 D C 1.212 177.610 176.300 0.163 0.000 1.029 311 D CA -0.195 53.867 54.000 0.104 0.000 0.879 311 D CB -0.343 40.558 40.800 0.167 0.000 0.906 311 D HN 0.531 nan 8.370 nan 0.000 0.528 312 I N -1.209 119.405 120.570 0.072 0.000 2.779 312 I HA 0.244 4.385 4.170 -0.048 0.000 0.285 312 I C -0.266 175.866 176.117 0.026 0.000 1.134 312 I CA -0.566 60.776 61.300 0.070 0.000 1.398 312 I CB 0.913 38.934 38.000 0.035 0.000 1.404 312 I HN -0.253 nan 8.210 nan 0.000 0.587 313 E N 3.304 123.506 120.200 0.004 0.000 2.280 313 E HA 0.674 4.995 4.350 -0.048 0.000 0.264 313 E C 0.064 176.644 176.600 -0.033 0.000 1.064 313 E CA 0.127 56.495 56.400 -0.052 0.000 0.900 313 E CB 1.326 30.974 29.700 -0.088 0.000 1.123 313 E HN 1.098 nan 8.360 nan 0.000 0.418 314 G N 0.727 109.503 108.800 -0.039 0.000 2.712 314 G HA2 -0.213 3.718 3.960 -0.048 0.000 0.683 314 G HA3 -0.213 3.718 3.960 -0.048 0.000 0.683 314 G C -0.891 174.001 174.900 -0.013 0.000 1.320 314 G CA -0.948 44.138 45.100 -0.024 0.000 0.847 314 G HN 0.438 nan 8.290 nan 0.000 0.553 315 R N -0.762 119.738 120.500 0.000 0.000 2.543 315 R HA 0.523 4.834 4.340 -0.048 0.000 0.277 315 R C 0.954 177.263 176.300 0.015 0.000 1.074 315 R CA -0.026 56.084 56.100 0.016 0.000 1.076 315 R CB 0.489 30.815 30.300 0.043 0.000 0.993 315 R HN 0.428 nan 8.270 nan 0.000 0.459 316 L N 0.537 121.768 121.223 0.013 0.000 3.217 316 L HA 0.164 4.475 4.340 -0.048 0.000 0.288 316 L C -0.271 176.595 176.870 -0.006 0.000 1.202 316 L CA -0.039 54.806 54.840 0.007 0.000 1.027 316 L CB 0.734 42.799 42.059 0.009 0.000 1.427 316 L HN 0.570 nan 8.230 nan 0.000 0.600 317 D N 1.684 122.070 120.400 -0.024 0.000 2.412 317 D HA 0.223 4.835 4.640 -0.048 0.000 0.224 317 D C -1.776 174.388 176.300 -0.226 0.000 1.093 317 D CA -1.892 52.041 54.000 -0.112 0.000 0.850 317 D CB 1.778 42.510 40.800 -0.113 0.000 1.046 317 D HN -0.075 nan 8.370 nan 0.000 0.507 318 P HA 0.145 nan 4.420 nan 0.000 0.249 318 P C 0.506 177.335 177.300 -0.785 0.000 1.229 318 P CA 0.130 62.978 63.100 -0.420 0.000 0.788 318 P CB 0.442 32.024 31.700 -0.198 0.000 1.072 319 A N -0.648 121.776 122.820 -0.659 0.000 2.308 319 A HA 0.052 4.343 4.320 -0.048 0.000 0.217 319 A C 0.336 177.525 177.584 -0.658 0.000 1.216 319 A CA -0.158 51.486 52.037 -0.654 0.000 0.864 319 A CB -1.055 17.607 19.000 -0.563 0.000 0.902 319 A HN 0.217 nan 8.150 nan 0.000 0.499 320 H N -0.081 118.873 119.070 -0.194 0.000 2.626 320 H HA -0.189 4.337 4.556 -0.050 0.000 0.317 320 H C -0.429 174.810 175.328 -0.148 0.000 1.140 320 H CA 1.148 57.116 56.048 -0.134 0.000 1.134 320 H CB -2.541 27.154 29.762 -0.112 0.000 1.486 320 H HN 0.771 nan 8.280 nan 0.000 0.417 321 H N 0.281 119.290 119.070 -0.102 0.000 2.771 321 H HA 0.188 4.715 4.556 -0.049 0.000 0.364 321 H C 1.301 176.644 175.328 0.025 0.000 1.133 321 H CA -0.019 55.990 56.048 -0.064 0.000 1.423 321 H CB 0.674 30.365 29.762 -0.119 0.000 1.425 321 H HN 0.301 nan 8.280 nan 0.000 0.606 322 R N 1.316 121.931 120.500 0.192 0.000 2.442 322 R HA 0.345 4.656 4.340 -0.048 0.000 0.291 322 R C 0.182 176.596 176.300 0.190 0.000 1.069 322 R CA 0.801 56.992 56.100 0.153 0.000 1.022 322 R CB -0.128 30.252 30.300 0.133 0.000 0.976 322 R HN 0.919 nan 8.270 nan 0.000 0.443 323 G N 3.257 112.149 108.800 0.153 0.000 2.591 323 G HA2 0.104 4.035 3.960 -0.048 0.000 0.104 323 G HA3 0.104 4.035 3.960 -0.048 0.000 0.104 323 G C -1.472 173.447 174.900 0.033 0.000 1.097 323 G CA -0.853 44.344 45.100 0.162 0.000 1.076 323 G HN 0.551 nan 8.290 nan 0.000 0.485 324 R N -0.551 119.926 120.500 -0.037 0.000 2.651 324 R HA 0.720 5.031 4.340 -0.048 0.000 0.278 324 R C -1.271 174.937 176.300 -0.153 0.000 1.010 324 R CA -1.003 54.965 56.100 -0.219 0.000 0.896 324 R CB 2.538 32.462 30.300 -0.627 0.000 1.211 324 R HN 0.452 nan 8.270 nan 0.000 0.456 325 R N 2.768 123.187 120.500 -0.135 0.000 2.337 325 R HA 0.426 4.737 4.340 -0.048 0.000 0.319 325 R C -1.531 174.679 176.300 -0.151 0.000 0.954 325 R CA -0.355 55.682 56.100 -0.105 0.000 0.840 325 R CB 0.617 30.885 30.300 -0.052 0.000 1.164 325 R HN 0.601 nan 8.270 nan 0.000 0.472 326 L N 5.956 127.058 121.223 -0.201 0.000 2.319 326 L HA 0.534 4.845 4.340 -0.048 0.000 0.281 326 L C -0.629 176.132 176.870 -0.183 0.000 1.005 326 L CA -1.068 53.644 54.840 -0.215 0.000 0.828 326 L CB 1.714 43.568 42.059 -0.342 0.000 1.227 326 L HN 0.497 nan 8.230 nan 0.000 0.415 327 I N 3.636 124.150 120.570 -0.094 0.000 2.325 327 I HA 0.688 4.829 4.170 -0.048 0.000 0.291 327 I C 0.280 176.404 176.117 0.013 0.000 1.019 327 I CA 0.228 61.496 61.300 -0.053 0.000 1.302 327 I CB 1.322 39.279 38.000 -0.071 0.000 1.401 327 I HN 0.686 nan 8.210 nan 0.000 0.485 328 A N 4.766 127.600 122.820 0.023 0.000 2.585 328 A HA 0.425 4.716 4.320 -0.048 0.000 0.299 328 A C -0.806 176.816 177.584 0.062 0.000 1.047 328 A CA -0.944 51.145 52.037 0.086 0.000 0.723 328 A CB 0.516 19.632 19.000 0.192 0.000 1.275 328 A HN 0.626 nan 8.150 nan 0.000 0.408 329 N N 1.368 120.117 118.700 0.082 0.000 2.447 329 N HA 0.175 4.886 4.740 -0.048 0.000 0.263 329 N C 1.041 176.591 175.510 0.065 0.000 1.226 329 N CA 0.182 53.264 53.050 0.053 0.000 0.906 329 N CB 0.065 38.580 38.487 0.046 0.000 1.060 329 N HN 0.527 nan 8.380 nan 0.000 0.468 330 I N 3.229 123.812 120.570 0.020 0.000 2.127 330 I HA -0.313 3.828 4.170 -0.048 0.000 0.241 330 I C 2.292 178.435 176.117 0.043 0.000 1.075 330 I CA 1.442 62.747 61.300 0.007 0.000 1.334 330 I CB -0.520 37.448 38.000 -0.052 0.000 1.040 330 I HN 0.774 nan 8.210 nan 0.000 0.405 331 A N 0.699 123.528 122.820 0.015 0.000 1.903 331 A HA -0.304 3.987 4.320 -0.048 0.000 0.219 331 A C 1.956 179.553 177.584 0.022 0.000 1.191 331 A CA 2.481 54.522 52.037 0.006 0.000 0.638 331 A CB -0.785 18.218 19.000 0.006 0.000 0.823 331 A HN 0.417 nan 8.150 nan 0.000 0.451 332 D N -2.063 118.366 120.400 0.049 0.000 2.178 332 D HA -0.151 4.460 4.640 -0.048 0.000 0.202 332 D C 1.568 177.904 176.300 0.060 0.000 0.974 332 D CA 1.094 55.121 54.000 0.046 0.000 0.841 332 D CB -0.384 40.450 40.800 0.058 0.000 0.953 332 D HN 0.770 nan 8.370 nan 0.000 0.478 333 W N 1.558 122.824 121.300 -0.056 0.000 2.381 333 W HA -0.049 4.579 4.660 -0.054 0.000 0.301 333 W C 2.092 178.577 176.519 -0.057 0.000 1.205 333 W CA 0.892 58.224 57.345 -0.022 0.000 1.285 333 W CB -0.347 29.055 29.460 -0.097 0.000 1.133 333 W HN -0.120 nan 8.180 nan 0.000 0.521 334 L N 0.309 121.513 121.223 -0.033 0.000 2.043 334 L HA -0.278 4.033 4.340 -0.048 0.000 0.212 334 L C 2.361 179.132 176.870 -0.164 0.000 1.075 334 L CA 1.936 56.602 54.840 -0.289 0.000 0.752 334 L CB -1.036 40.824 42.059 -0.332 0.000 0.891 334 L HN 0.046 nan 8.230 nan 0.000 0.432 335 E N -0.211 119.928 120.200 -0.102 0.000 2.110 335 E HA -0.247 4.075 4.350 -0.048 0.000 0.193 335 E C 2.094 178.609 176.600 -0.143 0.000 0.988 335 E CA 0.978 57.337 56.400 -0.069 0.000 0.804 335 E CB -0.092 29.582 29.700 -0.044 0.000 0.745 335 E HN 0.230 nan 8.360 nan 0.000 0.458 336 L N 0.171 121.225 121.223 -0.282 0.000 2.291 336 L HA -0.072 4.240 4.340 -0.048 0.000 0.214 336 L C 0.146 176.487 176.870 -0.882 0.000 1.120 336 L CA 1.640 56.171 54.840 -0.514 0.000 0.799 336 L CB -0.021 41.698 42.059 -0.566 0.000 0.925 336 L HN 0.068 nan 8.230 nan 0.000 0.446 337 H N -0.539 118.179 119.070 -0.587 0.000 2.348 337 H HA 0.343 4.869 4.556 -0.051 0.000 0.232 337 H C -2.389 172.910 175.328 -0.047 0.000 1.419 337 H CA -2.264 53.339 56.048 -0.742 0.000 1.416 337 H CB -0.050 28.530 29.762 -1.970 0.000 1.510 337 H HN 0.073 nan 8.280 nan 0.000 0.507 338 P HA 0.129 nan 4.420 nan 0.000 0.271 338 P C 0.114 177.775 177.300 0.602 0.000 1.218 338 P CA -0.273 63.116 63.100 0.481 0.000 0.780 338 P CB 1.088 32.955 31.700 0.280 0.000 0.901 339 A N 2.135 125.143 122.820 0.313 0.000 2.386 339 A HA 0.276 4.567 4.320 -0.048 0.000 0.248 339 A C 0.382 177.888 177.584 -0.130 0.000 1.082 339 A CA -0.281 51.674 52.037 -0.137 0.000 0.789 339 A CB -0.063 18.670 19.000 -0.445 0.000 1.025 339 A HN 0.680 nan 8.150 nan 0.000 0.490 340 E N 1.309 121.347 120.200 -0.271 0.000 2.222 340 E HA 0.413 4.734 4.350 -0.048 0.000 0.267 340 E C -0.750 175.708 176.600 -0.237 0.000 0.884 340 E CA -0.935 55.319 56.400 -0.244 0.000 0.764 340 E CB 1.155 30.667 29.700 -0.314 0.000 1.169 340 E HN 0.428 nan 8.360 nan 0.000 0.413 341 K N 2.904 123.203 120.400 -0.168 0.000 2.489 341 K HA 0.077 4.369 4.320 -0.048 0.000 0.278 341 K C -0.819 175.699 176.600 -0.137 0.000 1.000 341 K CA 0.446 56.648 56.287 -0.143 0.000 1.012 341 K CB 0.497 32.939 32.500 -0.097 0.000 0.903 341 K HN 0.591 nan 8.250 nan 0.000 0.485 342 R N 2.294 122.720 120.500 -0.123 0.000 2.604 342 R HA 0.156 4.468 4.340 -0.048 0.000 0.261 342 R C -1.223 175.056 176.300 -0.034 0.000 1.080 342 R CA -0.620 55.427 56.100 -0.087 0.000 0.917 342 R CB 1.040 31.269 30.300 -0.118 0.000 1.252 342 R HN 0.614 nan 8.270 nan 0.000 0.456 343 Q N 3.301 123.101 119.800 -0.001 0.000 2.332 343 Q HA 0.192 4.503 4.340 -0.048 0.000 0.263 343 Q C -2.078 173.968 176.000 0.075 0.000 0.979 343 Q CA -1.447 54.368 55.803 0.020 0.000 0.885 343 Q CB 0.968 29.715 28.738 0.015 0.000 1.218 343 Q HN 0.377 nan 8.270 nan 0.000 0.405 344 P HA -0.098 nan 4.420 nan 0.000 0.257 344 P C 0.468 177.790 177.300 0.036 0.000 1.189 344 P CA 0.277 63.381 63.100 0.007 0.000 0.780 344 P CB -0.107 31.549 31.700 -0.072 0.000 0.772 345 W N 2.822 124.131 121.300 0.015 0.000 2.937 345 W HA 0.128 4.758 4.660 -0.049 0.000 0.245 345 W C -0.988 175.505 176.519 -0.044 0.000 1.306 345 W CA -0.228 57.105 57.345 -0.021 0.000 1.470 345 W CB -0.690 28.749 29.460 -0.036 0.000 1.132 345 W HN 0.089 nan 8.180 nan 0.000 0.675 346 C N 2.491 121.440 119.300 -0.585 0.000 2.355 346 C HA 0.378 4.809 4.460 -0.048 0.000 0.332 346 C C 1.901 176.700 174.990 -0.317 0.000 1.255 346 C CA -0.220 58.426 59.018 -0.619 0.000 1.792 346 C CB 1.399 28.602 27.740 -0.895 0.000 2.300 346 C HN 0.228 nan 8.230 nan 0.000 0.515 347 V N 0.448 120.226 119.914 -0.226 0.000 3.219 347 V HA 0.211 4.302 4.120 -0.048 0.000 0.240 347 V C 1.550 177.536 176.094 -0.179 0.000 1.222 347 V CA 0.695 62.894 62.300 -0.167 0.000 1.181 347 V CB -0.638 31.127 31.823 -0.097 0.000 0.941 347 V HN 0.811 nan 8.190 nan 0.000 0.471 348 E N 0.458 120.551 120.200 -0.178 0.000 2.371 348 E HA 0.190 4.511 4.350 -0.048 0.000 0.194 348 E C 1.956 178.404 176.600 -0.253 0.000 1.012 348 E CA 0.890 57.188 56.400 -0.171 0.000 0.860 348 E CB -0.019 29.614 29.700 -0.113 0.000 0.811 348 E HN 0.684 nan 8.360 nan 0.000 0.502 349 I N 0.903 121.259 120.570 -0.357 0.000 2.233 349 I HA -0.128 4.013 4.170 -0.048 0.000 0.243 349 I C -0.929 174.839 176.117 -0.583 0.000 1.093 349 I CA 0.639 61.598 61.300 -0.568 0.000 1.380 349 I CB -0.927 36.638 38.000 -0.726 0.000 1.067 349 I HN 0.043 nan 8.210 nan 0.000 0.413 350 P HA -0.177 nan 4.420 nan 0.000 0.218 350 P C 1.532 178.670 177.300 -0.270 0.000 1.148 350 P CA 1.453 64.352 63.100 -0.335 0.000 0.822 350 P CB -0.084 31.471 31.700 -0.242 0.000 0.784 351 R N -0.543 119.815 120.500 -0.237 0.000 2.062 351 R HA 0.028 4.339 4.340 -0.048 0.000 0.226 351 R C 2.267 178.461 176.300 -0.177 0.000 1.125 351 R CA 0.822 56.820 56.100 -0.170 0.000 0.966 351 R CB -0.821 29.400 30.300 -0.132 0.000 0.861 351 R HN 0.115 nan 8.270 nan 0.000 0.433 352 L N 0.391 121.476 121.223 -0.230 0.000 2.043 352 L HA -0.211 4.100 4.340 -0.048 0.000 0.212 352 L C 2.649 179.395 176.870 -0.207 0.000 1.075 352 L CA 1.530 56.251 54.840 -0.198 0.000 0.752 352 L CB -0.545 41.388 42.059 -0.210 0.000 0.891 352 L HN 0.329 nan 8.230 nan 0.000 0.432 353 A N -0.413 122.161 122.820 -0.410 0.000 1.858 353 A HA -0.279 4.013 4.320 -0.048 0.000 0.216 353 A C 2.219 179.757 177.584 -0.077 0.000 1.190 353 A CA 1.923 53.792 52.037 -0.280 0.000 0.617 353 A CB -0.612 18.141 19.000 -0.411 0.000 0.827 353 A HN 0.450 nan 8.150 nan 0.000 0.443 354 E N -0.368 119.766 120.200 -0.110 0.000 2.065 354 E HA -0.297 4.025 4.350 -0.048 0.000 0.201 354 E C 2.231 178.808 176.600 -0.039 0.000 1.016 354 E CA 1.883 58.244 56.400 -0.064 0.000 0.818 354 E CB -0.181 29.471 29.700 -0.080 0.000 0.749 354 E HN 0.780 nan 8.360 nan 0.000 0.453 355 Q N -0.438 119.336 119.800 -0.044 0.000 2.224 355 Q HA -0.103 4.208 4.340 -0.048 0.000 0.203 355 Q C 2.057 178.053 176.000 -0.007 0.000 0.970 355 Q CA 0.883 56.671 55.803 -0.025 0.000 0.865 355 Q CB -0.030 28.693 28.738 -0.026 0.000 0.922 355 Q HN 0.288 nan 8.270 nan 0.000 0.445 356 A N 1.113 123.942 122.820 0.016 0.000 1.858 356 A HA -0.219 4.072 4.320 -0.048 0.000 0.216 356 A C 2.068 179.664 177.584 0.020 0.000 1.190 356 A CA 1.535 53.602 52.037 0.051 0.000 0.617 356 A CB -0.478 18.619 19.000 0.161 0.000 0.827 356 A HN 0.287 nan 8.150 nan 0.000 0.443 357 M N 0.087 119.702 119.600 0.025 0.000 2.080 357 M HA -0.186 4.265 4.480 -0.048 0.000 0.260 357 M C 2.156 178.438 176.300 -0.031 0.000 1.068 357 M CA 1.860 57.165 55.300 0.009 0.000 1.109 357 M CB -1.153 31.466 32.600 0.031 0.000 1.342 357 M HN 0.552 nan 8.290 nan 0.000 0.405 358 Q N -0.684 119.102 119.800 -0.024 0.000 2.077 358 Q HA -0.192 4.119 4.340 -0.048 0.000 0.206 358 Q C 2.079 178.051 176.000 -0.047 0.000 0.989 358 Q CA 2.054 57.838 55.803 -0.032 0.000 0.853 358 Q CB -0.571 28.152 28.738 -0.025 0.000 0.907 358 Q HN 0.688 nan 8.270 nan 0.000 0.418 359 A N 0.316 123.111 122.820 -0.041 0.000 1.948 359 A HA -0.191 4.101 4.320 -0.048 0.000 0.220 359 A C 2.293 179.826 177.584 -0.085 0.000 1.177 359 A CA 1.829 53.838 52.037 -0.046 0.000 0.636 359 A CB -0.669 18.313 19.000 -0.031 0.000 0.815 359 A HN 0.247 nan 8.150 nan 0.000 0.449 360 V N 0.139 119.974 119.914 -0.132 0.000 2.535 360 V HA -0.172 3.919 4.120 -0.048 0.000 0.246 360 V C 2.429 178.294 176.094 -0.382 0.000 1.045 360 V CA 1.472 63.620 62.300 -0.253 0.000 1.058 360 V CB -0.804 30.835 31.823 -0.306 0.000 0.689 360 V HN 0.756 nan 8.190 nan 0.000 0.461 361 I N 1.245 121.641 120.570 -0.290 0.000 2.208 361 I HA -0.199 3.942 4.170 -0.048 0.000 0.245 361 I C 2.457 178.512 176.117 -0.103 0.000 1.097 361 I CA 2.052 63.243 61.300 -0.180 0.000 1.363 361 I CB -0.553 37.442 38.000 -0.008 0.000 1.051 361 I HN 0.145 nan 8.210 nan 0.000 0.413 362 A N 2.290 125.062 122.820 -0.079 0.000 1.958 362 A HA -0.230 4.061 4.320 -0.048 0.000 0.221 362 A C 2.128 179.690 177.584 -0.035 0.000 1.178 362 A CA 2.138 54.148 52.037 -0.045 0.000 0.642 362 A CB -0.762 18.218 19.000 -0.034 0.000 0.816 362 A HN 0.747 nan 8.150 nan 0.000 0.453 363 R N -0.311 120.155 120.500 -0.058 0.000 2.694 363 R HA 0.165 4.476 4.340 -0.048 0.000 0.334 363 R C 0.804 177.106 176.300 0.004 0.000 1.143 363 R CA 0.234 56.322 56.100 -0.019 0.000 1.073 363 R CB -0.298 29.997 30.300 -0.010 0.000 1.366 363 R HN 0.702 nan 8.270 nan 0.000 0.577 364 R N -0.047 120.449 120.500 -0.006 0.000 2.328 364 R HA 0.048 4.359 4.340 -0.048 0.000 0.206 364 R C -0.332 176.008 176.300 0.066 0.000 0.990 364 R CA 0.513 56.643 56.100 0.050 0.000 1.085 364 R CB 0.118 30.459 30.300 0.068 0.000 0.998 364 R HN 0.039 nan 8.270 nan 0.000 0.484 365 D N 1.293 121.781 120.400 0.146 0.000 2.463 365 D HA 0.132 4.743 4.640 -0.048 0.000 0.237 365 D C 0.522 177.128 176.300 0.510 0.000 1.013 365 D CA 0.554 54.697 54.000 0.239 0.000 0.910 365 D CB 0.076 40.965 40.800 0.149 0.000 1.080 365 D HN 0.334 nan 8.370 nan 0.000 0.498 366 A N 0.895 123.936 122.820 0.368 0.000 2.555 366 A HA -0.007 4.284 4.320 -0.048 0.000 0.233 366 A C -0.278 177.613 177.584 0.512 0.000 1.060 366 A CA 0.062 52.305 52.037 0.343 0.000 0.759 366 A CB -0.251 18.871 19.000 0.205 0.000 0.995 366 A HN 0.136 nan 8.150 nan 0.000 0.506 367 F N 2.911 122.910 119.950 0.081 0.000 2.541 367 F HA 0.516 5.015 4.527 -0.048 0.000 0.351 367 F C 0.743 176.459 175.800 -0.139 0.000 1.209 367 F CA -0.066 57.766 58.000 -0.279 0.000 1.277 367 F CB -0.181 38.480 39.000 -0.564 0.000 1.632 367 F HN 0.608 nan 8.300 nan 0.000 0.619 368 G N 2.707 111.429 108.800 -0.131 0.000 2.658 368 G HA2 0.189 4.120 3.960 -0.048 0.000 0.292 368 G HA3 0.189 4.120 3.960 -0.048 0.000 0.292 368 G C 0.322 175.157 174.900 -0.108 0.000 1.320 368 G CA -0.551 44.474 45.100 -0.125 0.000 0.933 368 G HN 0.401 nan 8.290 nan 0.000 0.476 369 E N -0.139 120.005 120.200 -0.093 0.000 2.108 369 E HA -0.276 4.045 4.350 -0.048 0.000 0.203 369 E C 2.509 179.128 176.600 0.033 0.000 1.022 369 E CA 2.189 58.564 56.400 -0.042 0.000 0.823 369 E CB -0.095 29.589 29.700 -0.027 0.000 0.744 369 E HN 0.514 nan 8.360 nan 0.000 0.456 370 A N -0.223 122.629 122.820 0.054 0.000 1.968 370 A HA -0.175 4.116 4.320 -0.048 0.000 0.217 370 A C 1.985 179.656 177.584 0.145 0.000 1.169 370 A CA 1.421 53.505 52.037 0.079 0.000 0.638 370 A CB -0.242 18.792 19.000 0.057 0.000 0.812 370 A HN 0.231 nan 8.150 nan 0.000 0.446 371 Q N -1.014 118.912 119.800 0.211 0.000 2.089 371 Q HA 0.054 4.365 4.340 -0.048 0.000 0.195 371 Q C 1.972 178.196 176.000 0.372 0.000 0.963 371 Q CA 0.993 56.989 55.803 0.322 0.000 0.834 371 Q CB -0.530 28.499 28.738 0.484 0.000 0.906 371 Q HN 0.527 nan 8.270 nan 0.000 0.452 372 L N 0.803 122.312 121.223 0.476 0.000 2.010 372 L HA -0.303 4.008 4.340 -0.048 0.000 0.219 372 L C 1.990 178.994 176.870 0.223 0.000 1.077 372 L CA 2.493 57.561 54.840 0.380 0.000 0.773 372 L CB -1.064 41.086 42.059 0.152 0.000 0.892 372 L HN 0.224 nan 8.230 nan 0.000 0.436 373 A N -1.528 121.385 122.820 0.156 0.000 1.877 373 A HA -0.315 3.976 4.320 -0.048 0.000 0.216 373 A C 2.300 179.949 177.584 0.108 0.000 1.186 373 A CA 1.883 53.985 52.037 0.109 0.000 0.620 373 A CB -1.132 17.917 19.000 0.081 0.000 0.822 373 A HN 0.807 nan 8.150 nan 0.000 0.443 374 H N -0.244 118.853 119.070 0.045 0.000 2.389 374 H HA 0.025 4.552 4.556 -0.048 0.000 0.299 374 H C 1.807 177.125 175.328 -0.018 0.000 1.081 374 H CA 1.870 57.922 56.048 0.006 0.000 1.345 374 H CB -0.103 29.657 29.762 -0.003 0.000 1.393 374 H HN 0.420 nan 8.280 nan 0.000 0.520 375 R N -0.441 119.935 120.500 -0.207 0.000 2.310 375 R HA 0.084 4.395 4.340 -0.048 0.000 0.202 375 R C 1.595 177.808 176.300 -0.145 0.000 0.933 375 R CA 0.269 56.181 56.100 -0.312 0.000 1.054 375 R CB 0.024 30.195 30.300 -0.214 0.000 0.985 375 R HN 0.264 nan 8.270 nan 0.000 0.489 376 I N 1.374 121.935 120.570 -0.014 0.000 2.399 376 I HA -0.336 3.805 4.170 -0.048 0.000 0.254 376 I C 1.928 178.014 176.117 -0.052 0.000 1.146 376 I CA 1.099 62.453 61.300 0.090 0.000 1.412 376 I CB -0.206 37.829 38.000 0.058 0.000 1.076 376 I HN 0.344 nan 8.210 nan 0.000 0.432 377 C N -1.331 117.854 119.300 -0.192 0.000 2.539 377 C HA 0.102 4.533 4.460 -0.048 0.000 0.271 377 C C 1.895 176.690 174.990 -0.325 0.000 1.412 377 C CA -0.280 58.583 59.018 -0.259 0.000 1.729 377 C CB -1.524 26.059 27.740 -0.261 0.000 1.739 377 C HN 0.382 nan 8.230 nan 0.000 0.570 378 D N 0.186 120.311 120.400 -0.458 0.000 2.347 378 D HA -0.001 4.610 4.640 -0.048 0.000 0.215 378 D C 1.065 176.926 176.300 -0.731 0.000 0.976 378 D CA 1.170 54.781 54.000 -0.648 0.000 0.884 378 D CB -0.157 40.092 40.800 -0.918 0.000 0.915 378 D HN 0.682 nan 8.370 nan 0.000 0.526 379 Y N -0.094 120.038 120.300 -0.279 0.000 2.453 379 Y HA 0.273 4.793 4.550 -0.048 0.000 0.247 379 Y C 0.906 176.699 175.900 -0.179 0.000 1.124 379 Y CA -0.499 57.331 58.100 -0.451 0.000 1.243 379 Y CB 0.197 38.174 38.460 -0.805 0.000 1.213 379 Y HN -0.222 nan 8.280 nan 0.000 0.523 380 L N 5.178 126.368 121.223 -0.055 0.000 2.601 380 L HA 0.019 4.330 4.340 -0.048 0.000 0.277 380 L C -1.970 174.819 176.870 -0.136 0.000 1.219 380 L CA -1.257 53.524 54.840 -0.098 0.000 0.915 380 L CB 0.048 41.843 42.059 -0.439 0.000 1.160 380 L HN -0.059 nan 8.230 nan 0.000 0.494 381 P HA 0.027 nan 4.420 nan 0.000 0.271 381 P C -0.406 176.752 177.300 -0.237 0.000 1.216 381 P CA -0.334 62.355 63.100 -0.685 0.000 0.771 381 P CB 0.710 31.711 31.700 -1.164 0.000 0.864 382 E N 2.702 122.751 120.200 -0.251 0.000 2.480 382 E HA -0.103 4.218 4.350 -0.048 0.000 0.258 382 E C 0.122 176.679 176.600 -0.072 0.000 0.984 382 E CA 0.205 56.550 56.400 -0.092 0.000 0.930 382 E CB 0.003 29.646 29.700 -0.094 0.000 0.936 382 E HN 0.294 nan 8.360 nan 0.000 0.466 383 Q N 0.504 120.298 119.800 -0.011 0.000 2.494 383 Q HA -0.184 4.127 4.340 -0.048 0.000 0.272 383 Q C -0.160 175.755 176.000 -0.141 0.000 1.145 383 Q CA 1.139 56.896 55.803 -0.077 0.000 0.943 383 Q CB -1.806 26.897 28.738 -0.060 0.000 1.338 383 Q HN 0.763 nan 8.270 nan 0.000 0.492 384 G N -0.060 108.635 108.800 -0.176 0.000 3.008 384 G HA2 0.706 4.637 3.960 -0.048 0.000 0.181 384 G HA3 0.706 4.637 3.960 -0.048 0.000 0.181 384 G C -0.294 174.365 174.900 -0.403 0.000 1.309 384 G CA 0.153 45.150 45.100 -0.172 0.000 1.009 384 G HN 0.199 nan 8.290 nan 0.000 0.584 385 Q N -1.695 118.050 119.800 -0.091 0.000 2.472 385 Q HA 0.613 4.925 4.340 -0.048 0.000 0.281 385 Q C -2.222 173.966 176.000 0.314 0.000 0.997 385 Q CA -0.905 54.898 55.803 0.001 0.000 0.828 385 Q CB 2.179 31.002 28.738 0.141 0.000 1.443 385 Q HN 0.556 nan 8.270 nan 0.000 0.390 386 L N 1.979 123.430 121.223 0.380 0.000 2.346 386 L HA 0.725 5.036 4.340 -0.048 0.000 0.276 386 L C -1.865 175.223 176.870 0.363 0.000 1.006 386 L CA -0.609 54.450 54.840 0.366 0.000 0.817 386 L CB 1.847 44.085 42.059 0.297 0.000 1.272 386 L HN 0.726 nan 8.230 nan 0.000 0.421 387 F N 5.983 126.048 119.950 0.192 0.000 2.477 387 F HA 0.684 5.182 4.527 -0.050 0.000 0.335 387 F C -0.751 175.111 175.800 0.102 0.000 1.130 387 F CA -0.673 57.421 58.000 0.157 0.000 0.948 387 F CB 1.589 40.663 39.000 0.123 0.000 1.154 387 F HN 0.403 nan 8.300 nan 0.000 0.439 388 V N 3.746 123.272 119.914 -0.647 0.000 2.581 388 V HA 0.948 5.039 4.120 -0.048 0.000 0.303 388 V C 0.370 176.143 176.094 -0.535 0.000 1.041 388 V CA -0.276 61.787 62.300 -0.395 0.000 0.907 388 V CB 0.806 32.502 31.823 -0.212 0.000 0.994 388 V HN 0.920 nan 8.190 nan 0.000 0.442 389 G N 1.935 110.608 108.800 -0.211 0.000 2.489 389 G HA2 0.285 4.217 3.960 -0.048 0.000 0.271 389 G HA3 0.285 4.217 3.960 -0.048 0.000 0.271 389 G C -0.135 174.694 174.900 -0.118 0.000 1.427 389 G CA -0.703 44.323 45.100 -0.123 0.000 1.057 389 G HN 0.784 nan 8.290 nan 0.000 0.532 390 N N 0.275 118.933 118.700 -0.070 0.000 2.918 390 N HA 0.413 5.125 4.740 -0.048 0.000 0.270 390 N C -1.008 174.481 175.510 -0.036 0.000 1.536 390 N CA -0.072 52.943 53.050 -0.059 0.000 0.877 390 N CB 1.285 39.737 38.487 -0.057 0.000 1.190 390 N HN 0.242 nan 8.380 nan 0.000 0.492 391 S N 0.365 116.046 115.700 -0.032 0.000 2.579 391 S HA 0.340 4.781 4.470 -0.048 0.000 0.272 391 S C 0.914 175.505 174.600 -0.015 0.000 1.141 391 S CA -0.613 57.577 58.200 -0.017 0.000 0.843 391 S CB 1.377 64.568 63.200 -0.014 0.000 1.122 391 S HN 0.333 nan 8.310 nan 0.000 0.468 392 L N 2.915 124.134 121.223 -0.007 0.000 2.013 392 L HA -0.072 4.239 4.340 -0.048 0.000 0.212 392 L C 2.202 179.069 176.870 -0.006 0.000 1.073 392 L CA 2.228 57.064 54.840 -0.006 0.000 0.753 392 L CB -0.441 41.617 42.059 -0.001 0.000 0.890 392 L HN 0.661 nan 8.230 nan 0.000 0.432 393 V N -0.578 119.334 119.914 -0.004 0.000 2.453 393 V HA -0.246 3.845 4.120 -0.048 0.000 0.252 393 V C 2.457 178.551 176.094 0.000 0.000 1.068 393 V CA 2.014 64.314 62.300 0.001 0.000 1.070 393 V CB -0.007 31.817 31.823 0.001 0.000 0.664 393 V HN 0.502 nan 8.190 nan 0.000 0.461 394 V N -0.482 119.424 119.914 -0.013 0.000 2.599 394 V HA -0.088 4.003 4.120 -0.048 0.000 0.245 394 V C 2.530 178.609 176.094 -0.025 0.000 1.046 394 V CA 1.890 64.176 62.300 -0.024 0.000 1.065 394 V CB -0.611 31.183 31.823 -0.048 0.000 0.703 394 V HN 0.561 nan 8.190 nan 0.000 0.464 395 R N -0.275 120.210 120.500 -0.025 0.000 2.140 395 R HA -0.196 4.116 4.340 -0.048 0.000 0.250 395 R C 2.242 178.532 176.300 -0.016 0.000 1.150 395 R CA 2.444 58.530 56.100 -0.023 0.000 0.966 395 R CB -0.565 29.722 30.300 -0.022 0.000 0.869 395 R HN 0.509 nan 8.270 nan 0.000 0.445 396 L N -0.016 121.205 121.223 -0.004 0.000 2.093 396 L HA -0.152 4.159 4.340 -0.048 0.000 0.208 396 L C 2.290 179.172 176.870 0.020 0.000 1.085 396 L CA 1.056 55.902 54.840 0.010 0.000 0.755 396 L CB -0.296 41.775 42.059 0.021 0.000 0.904 396 L HN 0.213 nan 8.230 nan 0.000 0.435 397 I N 0.044 120.623 120.570 0.016 0.000 2.226 397 I HA -0.317 3.825 4.170 -0.048 0.000 0.245 397 I C 2.177 178.298 176.117 0.006 0.000 1.100 397 I CA 1.770 63.080 61.300 0.017 0.000 1.374 397 I CB -0.386 37.618 38.000 0.006 0.000 1.057 397 I HN 0.325 nan 8.210 nan 0.000 0.413 398 D N 0.875 121.269 120.400 -0.010 0.000 2.144 398 D HA -0.154 4.457 4.640 -0.048 0.000 0.199 398 D C 2.104 178.390 176.300 -0.023 0.000 0.984 398 D CA 1.430 55.417 54.000 -0.021 0.000 0.834 398 D CB 0.180 40.960 40.800 -0.033 0.000 0.955 398 D HN 0.313 nan 8.370 nan 0.000 0.465 399 A N -0.232 122.575 122.820 -0.021 0.000 1.878 399 A HA 0.100 4.391 4.320 -0.048 0.000 0.213 399 A C 2.142 179.727 177.584 0.002 0.000 1.192 399 A CA 0.740 52.758 52.037 -0.030 0.000 0.619 399 A CB -0.433 18.546 19.000 -0.035 0.000 0.837 399 A HN 0.331 nan 8.150 nan 0.000 0.446 400 L N -1.037 120.207 121.223 0.034 0.000 2.585 400 L HA 0.200 4.511 4.340 -0.048 0.000 0.226 400 L C 1.077 178.057 176.870 0.183 0.000 1.113 400 L CA 0.089 54.978 54.840 0.081 0.000 0.876 400 L CB 0.145 42.256 42.059 0.085 0.000 1.072 400 L HN 0.304 nan 8.230 nan 0.000 0.468 401 S N -0.196 115.568 115.700 0.106 0.000 2.648 401 S HA 0.394 4.835 4.470 -0.048 0.000 0.305 401 S C -0.776 173.846 174.600 0.037 0.000 1.094 401 S CA -0.483 57.761 58.200 0.073 0.000 0.983 401 S CB 1.903 65.105 63.200 0.003 0.000 1.101 401 S HN 0.200 nan 8.310 nan 0.000 0.514 402 Q N 2.951 122.751 119.800 -0.000 0.000 2.363 402 Q HA 0.470 4.781 4.340 -0.048 0.000 0.265 402 Q C -1.452 174.520 176.000 -0.047 0.000 1.032 402 Q CA -0.497 55.301 55.803 -0.008 0.000 0.746 402 Q CB 0.765 29.505 28.738 0.003 0.000 1.237 402 Q HN 0.672 nan 8.270 nan 0.000 0.475 403 L N 5.369 126.566 121.223 -0.043 0.000 2.375 403 L HA 0.510 4.821 4.340 -0.048 0.000 0.271 403 L C -1.938 174.900 176.870 -0.054 0.000 1.107 403 L CA -2.081 52.714 54.840 -0.075 0.000 0.806 403 L CB 0.639 42.663 42.059 -0.060 0.000 1.146 403 L HN 0.522 nan 8.230 nan 0.000 0.447 404 P HA 0.081 nan 4.420 nan 0.000 0.271 404 P C -0.573 176.745 177.300 0.029 0.000 1.216 404 P CA -0.432 62.651 63.100 -0.028 0.000 0.776 404 P CB 0.760 32.433 31.700 -0.045 0.000 0.881 405 A N 2.939 125.774 122.820 0.025 0.000 2.591 405 A HA 0.301 4.592 4.320 -0.048 0.000 0.244 405 A C 1.607 179.222 177.584 0.052 0.000 1.031 405 A CA 0.955 53.013 52.037 0.035 0.000 0.767 405 A CB -1.592 17.424 19.000 0.027 0.000 0.942 405 A HN 0.957 nan 8.150 nan 0.000 0.514 406 G N 0.833 109.659 108.800 0.043 0.000 2.184 406 G HA2 -0.300 3.631 3.960 -0.048 0.000 0.264 406 G HA3 -0.300 3.631 3.960 -0.048 0.000 0.264 406 G C 0.105 175.030 174.900 0.041 0.000 0.975 406 G CA 0.721 45.837 45.100 0.028 0.000 0.642 406 G HN 1.502 nan 8.290 nan 0.000 0.536 407 Y N 2.174 122.445 120.300 -0.047 0.000 2.393 407 Y HA 0.511 5.033 4.550 -0.048 0.000 0.338 407 Y C -1.929 173.922 175.900 -0.083 0.000 1.029 407 Y CA -2.114 55.955 58.100 -0.052 0.000 1.239 407 Y CB 1.189 39.620 38.460 -0.049 0.000 1.170 407 Y HN 0.044 nan 8.280 nan 0.000 0.515 408 P HA 0.038 nan 4.420 nan 0.000 0.263 408 P C -1.287 175.860 177.300 -0.255 0.000 1.195 408 P CA 0.319 63.229 63.100 -0.316 0.000 0.762 408 P CB 0.617 32.169 31.700 -0.247 0.000 0.799 409 V N 5.193 124.860 119.914 -0.413 0.000 2.735 409 V HA 0.498 4.589 4.120 -0.048 0.000 0.310 409 V C -0.641 175.139 176.094 -0.524 0.000 1.061 409 V CA -0.458 61.687 62.300 -0.259 0.000 0.913 409 V CB 1.436 33.198 31.823 -0.102 0.000 1.005 409 V HN 0.411 nan 8.190 nan 0.000 0.428 410 Y N 1.174 121.495 120.300 0.035 0.000 2.609 410 Y HA 0.831 5.351 4.550 -0.050 0.000 0.342 410 Y C 0.304 176.061 175.900 -0.238 0.000 1.058 410 Y CA -0.604 57.520 58.100 0.040 0.000 1.055 410 Y CB 2.571 41.180 38.460 0.249 0.000 1.292 410 Y HN 0.790 nan 8.280 nan 0.000 0.476 411 S N -0.055 115.615 115.700 -0.050 0.000 2.627 411 S HA 0.435 4.876 4.470 -0.048 0.000 0.268 411 S C -1.989 172.589 174.600 -0.036 0.000 1.130 411 S CA -1.196 56.772 58.200 -0.386 0.000 0.819 411 S CB 1.407 64.451 63.200 -0.261 0.000 1.100 411 S HN 0.467 nan 8.310 nan 0.000 0.465 412 N N 0.915 119.586 118.700 -0.047 0.000 3.044 412 N HA 0.419 5.130 4.740 -0.048 0.000 0.254 412 N C -0.480 175.024 175.510 -0.009 0.000 1.253 412 N CA -0.359 52.721 53.050 0.049 0.000 0.944 412 N CB 0.498 39.045 38.487 0.099 0.000 1.217 412 N HN 0.420 nan 8.380 nan 0.000 0.498 413 R N 0.116 120.608 120.500 -0.014 0.000 2.662 413 R HA 0.256 4.567 4.340 -0.048 0.000 0.396 413 R C 1.206 177.498 176.300 -0.012 0.000 1.096 413 R CA -0.202 55.883 56.100 -0.026 0.000 1.081 413 R CB 0.679 30.952 30.300 -0.043 0.000 1.382 413 R HN 0.387 nan 8.270 nan 0.000 0.580 414 G N 0.415 109.214 108.800 -0.002 0.000 2.499 414 G HA2 -0.126 3.805 3.960 -0.048 0.000 0.213 414 G HA3 -0.126 3.805 3.960 -0.048 0.000 0.213 414 G C 1.016 175.913 174.900 -0.006 0.000 1.230 414 G CA 0.812 45.913 45.100 0.000 0.000 0.813 414 G HN 0.309 nan 8.290 nan 0.000 0.542 415 A N -0.876 121.937 122.820 -0.010 0.000 2.390 415 A HA 0.537 4.829 4.320 -0.048 0.000 0.232 415 A C 1.299 178.867 177.584 -0.026 0.000 1.233 415 A CA 1.101 53.127 52.037 -0.019 0.000 0.907 415 A CB 0.082 19.064 19.000 -0.031 0.000 0.967 415 A HN 0.755 nan 8.150 nan 0.000 0.512 416 S N -0.565 115.119 115.700 -0.026 0.000 3.641 416 S HA -0.144 4.297 4.470 -0.048 0.000 0.346 416 S C 0.830 175.400 174.600 -0.051 0.000 1.074 416 S CA 0.381 58.559 58.200 -0.037 0.000 1.026 416 S CB -1.856 61.324 63.200 -0.033 0.000 0.908 416 S HN 1.444 nan 8.310 nan 0.000 0.479 417 G N 0.717 109.480 108.800 -0.061 0.000 2.491 417 G HA2 0.440 4.371 3.960 -0.048 0.000 0.242 417 G HA3 0.440 4.371 3.960 -0.048 0.000 0.242 417 G C 0.863 175.662 174.900 -0.169 0.000 1.266 417 G CA -0.253 44.782 45.100 -0.110 0.000 0.844 417 G HN 0.860 nan 8.290 nan 0.000 0.571 418 I N -0.524 119.902 120.570 -0.241 0.000 3.861 418 I HA 0.183 4.324 4.170 -0.048 0.000 0.329 418 I C 0.968 176.726 176.117 -0.598 0.000 1.321 418 I CA -0.047 61.085 61.300 -0.279 0.000 1.126 418 I CB 0.280 38.210 38.000 -0.117 0.000 1.018 418 I HN 0.378 nan 8.210 nan 0.000 0.407 419 D N 1.502 121.437 120.400 -0.774 0.000 2.333 419 D HA 0.018 4.629 4.640 -0.048 0.000 0.208 419 D C 1.385 177.321 176.300 -0.606 0.000 0.984 419 D CA 0.752 54.119 54.000 -1.054 0.000 0.873 419 D CB 0.152 40.491 40.800 -0.769 0.000 0.935 419 D HN 0.418 nan 8.370 nan 0.000 0.521 420 G N 0.333 108.693 108.800 -0.732 0.000 4.867 420 G HA2 0.298 4.229 3.960 -0.048 0.000 0.258 420 G HA3 0.298 4.229 3.960 -0.048 0.000 0.258 420 G C 0.881 175.487 174.900 -0.490 0.000 0.999 420 G CA -0.338 44.195 45.100 -0.944 0.000 0.797 420 G HN 0.144 nan 8.290 nan 0.000 0.505 421 L N -0.214 120.863 121.223 -0.243 0.000 2.162 421 L HA 0.147 4.458 4.340 -0.048 0.000 0.205 421 L C 2.652 179.444 176.870 -0.129 0.000 1.086 421 L CA 0.566 55.384 54.840 -0.037 0.000 0.778 421 L CB -0.188 41.933 42.059 0.104 0.000 0.928 421 L HN 0.238 nan 8.230 nan 0.000 0.446 422 L N -0.293 120.847 121.223 -0.138 0.000 2.027 422 L HA -0.159 4.152 4.340 -0.048 0.000 0.206 422 L C 2.860 179.582 176.870 -0.246 0.000 1.074 422 L CA 1.767 56.504 54.840 -0.172 0.000 0.745 422 L CB -0.791 41.198 42.059 -0.116 0.000 0.898 422 L HN 0.381 nan 8.230 nan 0.000 0.433 423 S N -1.592 113.972 115.700 -0.225 0.000 2.423 423 S HA -0.127 4.314 4.470 -0.048 0.000 0.231 423 S C 1.866 176.315 174.600 -0.252 0.000 1.014 423 S CA 1.406 59.460 58.200 -0.242 0.000 0.965 423 S CB -0.662 62.431 63.200 -0.177 0.000 0.785 423 S HN 0.348 nan 8.310 nan 0.000 0.495 424 T N 2.662 117.059 114.554 -0.263 0.000 2.821 424 T HA 0.150 4.471 4.350 -0.048 0.000 0.267 424 T C 2.238 176.587 174.700 -0.585 0.000 1.046 424 T CA 1.162 63.077 62.100 -0.308 0.000 1.139 424 T CB -0.701 68.064 68.868 -0.172 0.000 0.871 424 T HN 0.602 nan 8.240 nan 0.000 0.454 425 A N 1.624 123.965 122.820 -0.798 0.000 1.908 425 A HA 0.100 4.391 4.320 -0.048 0.000 0.218 425 A C 2.643 179.954 177.584 -0.456 0.000 1.181 425 A CA 1.860 53.368 52.037 -0.880 0.000 0.627 425 A CB -1.099 17.517 19.000 -0.641 0.000 0.818 425 A HN 0.509 nan 8.150 nan 0.000 0.445 426 A N -0.625 121.985 122.820 -0.351 0.000 1.933 426 A HA 0.137 4.428 4.320 -0.048 0.000 0.218 426 A C 2.370 179.791 177.584 -0.271 0.000 1.175 426 A CA 1.869 53.750 52.037 -0.261 0.000 0.628 426 A CB -1.248 17.600 19.000 -0.252 0.000 0.814 426 A HN 0.722 nan 8.150 nan 0.000 0.444 427 G N -0.754 107.852 108.800 -0.322 0.000 2.403 427 G HA2 -0.029 3.902 3.960 -0.048 0.000 0.216 427 G HA3 -0.029 3.902 3.960 -0.048 0.000 0.216 427 G C 1.480 176.179 174.900 -0.335 0.000 1.154 427 G CA 1.061 45.951 45.100 -0.349 0.000 0.784 427 G HN 0.287 nan 8.290 nan 0.000 0.538 428 V N 0.470 120.176 119.914 -0.346 0.000 2.295 428 V HA -0.216 3.875 4.120 -0.048 0.000 0.246 428 V C 2.883 178.831 176.094 -0.244 0.000 1.049 428 V CA 2.112 64.204 62.300 -0.347 0.000 1.024 428 V CB -0.308 31.302 31.823 -0.355 0.000 0.648 428 V HN 0.347 nan 8.190 nan 0.000 0.447 429 Q N 0.506 120.198 119.800 -0.180 0.000 2.061 429 Q HA -0.225 4.086 4.340 -0.048 0.000 0.204 429 Q C 2.392 178.343 176.000 -0.082 0.000 0.984 429 Q CA 1.916 57.664 55.803 -0.090 0.000 0.846 429 Q CB -0.225 28.479 28.738 -0.057 0.000 0.902 429 Q HN 0.603 nan 8.270 nan 0.000 0.421 430 R N -0.372 120.060 120.500 -0.113 0.000 2.115 430 R HA 0.007 4.319 4.340 -0.048 0.000 0.226 430 R C 2.369 178.631 176.300 -0.062 0.000 1.100 430 R CA 0.906 56.971 56.100 -0.059 0.000 0.980 430 R CB -0.371 29.902 30.300 -0.045 0.000 0.875 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 A N 1.114 123.831 122.820 -0.171 0.000 1.883 431 A HA -0.203 4.088 4.320 -0.048 0.000 0.217 431 A C 2.158 179.717 177.584 -0.042 0.000 1.186 431 A CA 2.179 54.121 52.037 -0.157 0.000 0.624 431 A CB -0.405 18.453 19.000 -0.237 0.000 0.822 431 A HN 0.430 nan 8.150 nan 0.000 0.444 432 S N -3.103 112.560 115.700 -0.061 0.000 2.511 432 S HA 0.410 4.851 4.470 -0.048 0.000 0.214 432 S C 1.446 176.045 174.600 -0.001 0.000 0.997 432 S CA 1.134 59.320 58.200 -0.023 0.000 0.908 432 S CB 0.102 63.282 63.200 -0.034 0.000 0.803 432 S HN 1.979 nan 8.310 nan 0.000 0.504 433 G N 1.449 110.251 108.800 0.003 0.000 2.168 433 G HA2 -0.281 3.651 3.960 -0.048 0.000 0.263 433 G HA3 -0.281 3.651 3.960 -0.048 0.000 0.263 433 G C -0.046 174.865 174.900 0.017 0.000 0.977 433 G CA 0.526 45.637 45.100 0.019 0.000 0.659 433 G HN 0.597 nan 8.290 nan 0.000 0.533 434 K N 1.169 121.573 120.400 0.007 0.000 2.118 434 K HA 0.465 4.756 4.320 -0.048 0.000 0.264 434 K C -2.174 174.446 176.600 0.033 0.000 1.000 434 K CA -1.845 54.444 56.287 0.004 0.000 0.929 434 K CB 1.251 33.740 32.500 -0.020 0.000 1.021 434 K HN 0.041 nan 8.250 nan 0.000 0.463 435 P HA 0.035 nan 4.420 nan 0.000 0.269 435 P C -0.907 176.455 177.300 0.103 0.000 1.209 435 P CA -0.097 63.056 63.100 0.089 0.000 0.776 435 P CB 0.723 32.408 31.700 -0.025 0.000 0.876 436 T N 2.532 117.250 114.554 0.272 0.000 2.912 436 T HA 0.404 4.725 4.350 -0.048 0.000 0.299 436 T C -0.787 174.196 174.700 0.471 0.000 1.052 436 T CA -0.441 61.830 62.100 0.285 0.000 0.996 436 T CB 1.165 70.148 68.868 0.192 0.000 1.070 436 T HN 0.181 nan 8.240 nan 0.000 0.465 437 L N 3.039 124.539 121.223 0.462 0.000 2.282 437 L HA 0.850 5.161 4.340 -0.048 0.000 0.288 437 L C -0.545 176.539 176.870 0.355 0.000 1.033 437 L CA -0.540 54.589 54.840 0.481 0.000 0.807 437 L CB 0.535 42.898 42.059 0.506 0.000 1.209 437 L HN 0.860 nan 8.230 nan 0.000 0.423 438 A N 6.454 129.445 122.820 0.285 0.000 2.356 438 A HA 0.805 5.096 4.320 -0.048 0.000 0.310 438 A C -1.041 176.665 177.584 0.204 0.000 1.075 438 A CA -0.468 51.746 52.037 0.295 0.000 0.746 438 A CB 0.822 19.966 19.000 0.240 0.000 1.221 438 A HN 0.634 nan 8.150 nan 0.000 0.443 439 I N 2.534 123.214 120.570 0.183 0.000 2.389 439 I HA 0.590 4.732 4.170 -0.048 0.000 0.288 439 I C -0.657 175.497 176.117 0.062 0.000 0.999 439 I CA -0.840 60.518 61.300 0.096 0.000 1.129 439 I CB 1.621 39.667 38.000 0.077 0.000 1.288 439 I HN 0.350 nan 8.210 nan 0.000 0.444 440 V N 4.012 123.939 119.914 0.023 0.000 3.078 440 V HA 0.732 4.824 4.120 -0.048 0.000 0.311 440 V C 0.274 176.348 176.094 -0.034 0.000 1.138 440 V CA -0.451 61.850 62.300 0.002 0.000 1.007 440 V CB 2.522 34.349 31.823 0.006 0.000 1.045 440 V HN 0.856 nan 8.190 nan 0.000 0.432 441 G N 0.606 109.393 108.800 -0.021 0.000 2.502 441 G HA2 0.348 4.279 3.960 -0.048 0.000 0.305 441 G HA3 0.348 4.279 3.960 -0.048 0.000 0.305 441 G C 0.619 175.508 174.900 -0.019 0.000 1.190 441 G CA 0.324 45.416 45.100 -0.013 0.000 0.933 441 G HN 0.813 nan 8.290 nan 0.000 0.503 442 D N -0.098 120.320 120.400 0.030 0.000 2.117 442 D HA -0.162 4.449 4.640 -0.048 0.000 0.197 442 D C 2.175 178.607 176.300 0.219 0.000 0.987 442 D CA 0.507 54.591 54.000 0.139 0.000 0.829 442 D CB -0.077 40.912 40.800 0.315 0.000 0.961 442 D HN 0.232 nan 8.370 nan 0.000 0.460 443 L N 0.833 122.151 121.223 0.158 0.000 2.083 443 L HA -0.122 4.189 4.340 -0.048 0.000 0.209 443 L C 2.582 179.572 176.870 0.201 0.000 1.083 443 L CA 1.028 55.969 54.840 0.169 0.000 0.752 443 L CB -0.452 41.686 42.059 0.132 0.000 0.899 443 L HN 0.064 nan 8.230 nan 0.000 0.433 444 S N -0.041 115.739 115.700 0.133 0.000 2.355 444 S HA -0.131 4.310 4.470 -0.048 0.000 0.222 444 S C 2.117 176.788 174.600 0.117 0.000 1.031 444 S CA 1.196 59.457 58.200 0.102 0.000 0.993 444 S CB -0.155 63.061 63.200 0.027 0.000 0.859 444 S HN 0.533 nan 8.310 nan 0.000 0.453 445 A N 1.248 124.109 122.820 0.069 0.000 1.933 445 A HA -0.004 4.288 4.320 -0.048 0.000 0.218 445 A C 2.106 179.841 177.584 0.252 0.000 1.175 445 A CA 1.103 53.174 52.037 0.056 0.000 0.628 445 A CB -0.678 18.172 19.000 -0.251 0.000 0.814 445 A HN 0.449 nan 8.150 nan 0.000 0.444 446 L N -2.439 118.987 121.223 0.338 0.000 2.056 446 L HA -0.171 4.141 4.340 -0.048 0.000 0.207 446 L C 2.553 179.557 176.870 0.222 0.000 1.078 446 L CA 1.422 56.438 54.840 0.293 0.000 0.749 446 L CB -0.555 41.631 42.059 0.211 0.000 0.901 446 L HN 0.496 nan 8.230 nan 0.000 0.433 447 Y N 0.525 120.882 120.300 0.095 0.000 2.128 447 Y HA -0.276 4.245 4.550 -0.047 0.000 0.284 447 Y C 1.731 177.665 175.900 0.057 0.000 1.154 447 Y CA 1.715 59.851 58.100 0.061 0.000 1.149 447 Y CB -0.056 38.423 38.460 0.033 0.000 0.976 447 Y HN 0.138 nan 8.280 nan 0.000 0.505 448 D N -0.484 120.077 120.400 0.269 0.000 2.738 448 D HA 0.053 4.665 4.640 -0.048 0.000 0.246 448 D C 1.410 177.788 176.300 0.130 0.000 1.270 448 D CA -0.014 54.077 54.000 0.151 0.000 0.833 448 D CB -0.375 40.439 40.800 0.023 0.000 1.040 448 D HN 0.247 nan 8.370 nan 0.000 0.487 449 L N 1.305 122.638 121.223 0.184 0.000 2.046 449 L HA -0.136 4.175 4.340 -0.048 0.000 0.208 449 L C 1.600 178.590 176.870 0.200 0.000 1.077 449 L CA 1.768 56.736 54.840 0.213 0.000 0.747 449 L CB -0.713 41.493 42.059 0.245 0.000 0.896 449 L HN 0.194 nan 8.230 nan 0.000 0.432 450 N N 0.027 118.866 118.700 0.231 0.000 2.573 450 N HA -0.073 4.638 4.740 -0.048 0.000 0.187 450 N C 1.345 176.911 175.510 0.093 0.000 1.107 450 N CA 1.124 54.354 53.050 0.300 0.000 0.918 450 N CB -0.623 38.160 38.487 0.492 0.000 0.966 450 N HN 0.354 nan 8.380 nan 0.000 0.448 451 A N 0.061 122.869 122.820 -0.019 0.000 2.238 451 A HA 0.246 4.537 4.320 -0.048 0.000 0.208 451 A C 1.924 179.319 177.584 -0.314 0.000 1.177 451 A CA -0.131 51.779 52.037 -0.212 0.000 0.804 451 A CB -0.608 18.280 19.000 -0.186 0.000 0.823 451 A HN 0.325 nan 8.150 nan 0.000 0.482 452 L N -0.999 120.007 121.223 -0.362 0.000 2.187 452 L HA -0.231 4.080 4.340 -0.048 0.000 0.213 452 L C 2.942 179.378 176.870 -0.724 0.000 1.100 452 L CA 1.000 55.548 54.840 -0.485 0.000 0.765 452 L CB -0.472 41.357 42.059 -0.383 0.000 0.904 452 L HN 0.472 nan 8.230 nan 0.000 0.437 453 A N 0.059 122.332 122.820 -0.912 0.000 2.019 453 A HA -0.130 4.161 4.320 -0.048 0.000 0.219 453 A C 2.227 179.675 177.584 -0.226 0.000 1.164 453 A CA 1.295 53.081 52.037 -0.419 0.000 0.644 453 A CB -0.420 18.617 19.000 0.062 0.000 0.805 453 A HN 0.395 nan 8.150 nan 0.000 0.449 454 L N -1.017 119.993 121.223 -0.354 0.000 2.095 454 L HA -0.029 4.282 4.340 -0.048 0.000 0.204 454 L C 2.309 179.059 176.870 -0.199 0.000 1.080 454 L CA 0.613 55.268 54.840 -0.309 0.000 0.759 454 L CB -0.474 41.312 42.059 -0.454 0.000 0.914 454 L HN 0.313 nan 8.230 nan 0.000 0.439 455 L N -0.361 120.737 121.223 -0.210 0.000 2.265 455 L HA -0.175 4.136 4.340 -0.048 0.000 0.215 455 L C 2.693 179.517 176.870 -0.077 0.000 1.117 455 L CA 0.803 55.562 54.840 -0.135 0.000 0.782 455 L CB -0.500 41.481 42.059 -0.129 0.000 0.914 455 L HN 0.245 nan 8.230 nan 0.000 0.441 456 R N 0.043 120.499 120.500 -0.075 0.000 2.127 456 R HA -0.117 4.194 4.340 -0.048 0.000 0.238 456 R C 0.362 176.667 176.300 0.008 0.000 1.134 456 R CA 0.948 57.045 56.100 -0.005 0.000 0.975 456 R CB 0.232 30.550 30.300 0.031 0.000 0.865 456 R HN 0.288 nan 8.270 nan 0.000 0.447 457 Q N 0.821 120.616 119.800 -0.008 0.000 2.506 457 Q HA 0.220 4.531 4.340 -0.048 0.000 0.242 457 Q C -0.987 175.019 176.000 0.010 0.000 1.060 457 Q CA -0.281 55.530 55.803 0.014 0.000 0.826 457 Q CB 1.552 30.306 28.738 0.026 0.000 1.169 457 Q HN 0.084 nan 8.270 nan 0.000 0.521 458 V N -1.165 118.761 119.914 0.020 0.000 3.001 458 V HA 0.631 4.722 4.120 -0.048 0.000 0.314 458 V C 0.839 176.958 176.094 0.041 0.000 1.099 458 V CA -0.792 61.521 62.300 0.023 0.000 0.989 458 V CB 1.935 33.771 31.823 0.022 0.000 1.040 458 V HN 0.527 nan 8.190 nan 0.000 0.434 459 S N 0.100 115.827 115.700 0.045 0.000 2.556 459 S HA 0.738 5.179 4.470 -0.048 0.000 0.216 459 S C 0.492 175.128 174.600 0.059 0.000 0.970 459 S CA 0.318 58.549 58.200 0.051 0.000 0.912 459 S CB 0.013 63.243 63.200 0.050 0.000 0.790 459 S HN 2.064 nan 8.310 nan 0.000 0.504 460 A N 1.505 124.369 122.820 0.072 0.000 2.605 460 A HA 0.704 4.995 4.320 -0.048 0.000 0.294 460 A C -3.248 174.420 177.584 0.140 0.000 1.062 460 A CA -1.655 50.442 52.037 0.100 0.000 0.682 460 A CB 0.534 19.586 19.000 0.086 0.000 1.278 460 A HN 0.102 nan 8.150 nan 0.000 0.410 461 P HA 0.294 nan 4.420 nan 0.000 0.266 461 P C -0.765 176.730 177.300 0.325 0.000 1.195 461 P CA 0.358 63.613 63.100 0.258 0.000 0.768 461 P CB 0.731 32.686 31.700 0.426 0.000 0.838 462 L N 3.541 124.883 121.223 0.198 0.000 2.386 462 L HA 0.522 4.833 4.340 -0.048 0.000 0.271 462 L C -1.096 175.800 176.870 0.044 0.000 0.993 462 L CA -0.902 54.052 54.840 0.189 0.000 0.819 462 L CB 2.210 44.321 42.059 0.086 0.000 1.294 462 L HN 0.038 nan 8.230 nan 0.000 0.414 463 V N 5.315 125.254 119.914 0.043 0.000 2.448 463 V HA 0.401 4.492 4.120 -0.048 0.000 0.295 463 V C -0.637 175.442 176.094 -0.026 0.000 1.025 463 V CA -0.542 61.666 62.300 -0.153 0.000 0.859 463 V CB 1.758 33.347 31.823 -0.390 0.000 0.988 463 V HN 0.557 nan 8.190 nan 0.000 0.431 464 L N 7.202 128.380 121.223 -0.076 0.000 2.277 464 L HA 0.564 4.875 4.340 -0.048 0.000 0.284 464 L C -0.246 176.575 176.870 -0.081 0.000 1.028 464 L CA 0.200 55.016 54.840 -0.040 0.000 0.835 464 L CB 0.754 42.780 42.059 -0.054 0.000 1.215 464 L HN 0.493 nan 8.230 nan 0.000 0.425 465 I N 6.039 126.588 120.570 -0.034 0.000 2.379 465 I HA 0.199 4.340 4.170 -0.048 0.000 0.290 465 I C -0.393 175.678 176.117 -0.075 0.000 1.063 465 I CA -0.527 60.739 61.300 -0.056 0.000 1.351 465 I CB 1.071 39.079 38.000 0.013 0.000 1.410 465 I HN 0.243 nan 8.210 nan 0.000 0.505 466 V N 7.829 127.664 119.914 -0.132 0.000 2.347 466 V HA 0.194 4.285 4.120 -0.048 0.000 0.280 466 V C 0.227 176.251 176.094 -0.117 0.000 1.021 466 V CA -0.631 61.553 62.300 -0.194 0.000 0.847 466 V CB 1.745 33.294 31.823 -0.456 0.000 0.990 466 V HN 0.407 nan 8.190 nan 0.000 0.444 467 V N 5.006 124.871 119.914 -0.082 0.000 2.304 467 V HA 0.291 4.383 4.120 -0.048 0.000 0.262 467 V C 0.283 176.378 176.094 0.001 0.000 1.061 467 V CA -0.417 61.859 62.300 -0.039 0.000 0.872 467 V CB 0.820 32.624 31.823 -0.032 0.000 1.077 467 V HN 0.832 nan 8.190 nan 0.000 0.480 468 N N 4.475 123.202 118.700 0.045 0.000 2.439 468 N HA 0.207 4.918 4.740 -0.048 0.000 0.249 468 N C 0.278 175.837 175.510 0.083 0.000 1.003 468 N CA -0.462 52.657 53.050 0.115 0.000 0.942 468 N CB 1.001 39.632 38.487 0.240 0.000 1.115 468 N HN 0.717 nan 8.380 nan 0.000 0.505 469 N N 1.739 120.477 118.700 0.064 0.000 2.401 469 N HA 0.032 4.743 4.740 -0.048 0.000 0.264 469 N C -1.059 174.476 175.510 0.041 0.000 1.238 469 N CA -0.718 52.359 53.050 0.044 0.000 0.889 469 N CB -0.925 37.578 38.487 0.027 0.000 1.196 469 N HN 0.502 nan 8.380 nan 0.000 0.511 470 N N -0.303 118.423 118.700 0.043 0.000 2.332 470 N HA 0.036 4.747 4.740 -0.048 0.000 0.274 470 N C 0.659 176.172 175.510 0.004 0.000 1.351 470 N CA -0.210 52.850 53.050 0.017 0.000 0.875 470 N CB 0.452 38.919 38.487 -0.032 0.000 1.140 470 N HN 0.330 nan 8.380 nan 0.000 0.489 494 N N -0.354 118.285 118.700 -0.103 0.000 2.726 494 N HA -0.129 4.582 4.740 -0.048 0.000 0.253 494 N C -1.779 173.580 175.510 -0.252 0.000 1.059 494 N CA 0.671 53.628 53.050 -0.156 0.000 0.701 494 N CB -0.559 37.882 38.487 -0.076 0.000 0.899 494 N HN 0.265 nan 8.380 nan 0.000 0.548 495 V N 1.530 121.254 119.914 -0.316 0.000 2.617 495 V HA 0.438 4.529 4.120 -0.048 0.000 0.298 495 V C 0.586 176.298 176.094 -0.637 0.000 1.048 495 V CA -0.418 61.650 62.300 -0.386 0.000 0.964 495 V CB 1.587 33.210 31.823 -0.333 0.000 1.004 495 V HN 0.345 nan 8.190 nan 0.000 0.466 496 H N 2.219 121.144 119.070 -0.241 0.000 2.797 496 H HA 0.457 4.984 4.556 -0.048 0.000 0.362 496 H C -0.564 174.500 175.328 -0.439 0.000 1.183 496 H CA -0.690 55.245 56.048 -0.189 0.000 1.197 496 H CB 1.745 31.512 29.762 0.009 0.000 1.835 496 H HN 0.537 nan 8.280 nan 0.000 0.567 497 F N -0.378 119.655 119.950 0.138 0.000 2.653 497 F HA 0.097 4.595 4.527 -0.048 0.000 0.304 497 F C 2.080 177.673 175.800 -0.344 0.000 1.092 497 F CA -0.096 57.912 58.000 0.014 0.000 1.279 497 F CB 0.368 39.456 39.000 0.146 0.000 1.044 497 F HN 0.582 nan 8.300 nan 0.000 0.564 498 E N 0.080 119.913 120.200 -0.612 0.000 2.051 498 E HA -0.220 4.102 4.350 -0.048 0.000 0.192 498 E C 1.913 178.143 176.600 -0.616 0.000 0.991 498 E CA 1.642 57.310 56.400 -1.220 0.000 0.799 498 E CB -0.138 28.965 29.700 -0.996 0.000 0.748 498 E HN 0.393 nan 8.360 nan 0.000 0.449 499 H N -0.272 118.638 119.070 -0.267 0.000 2.423 499 H HA -0.018 4.509 4.556 -0.048 0.000 0.297 499 H C 1.982 177.242 175.328 -0.113 0.000 1.075 499 H CA 1.287 57.234 56.048 -0.167 0.000 1.342 499 H CB -0.172 29.507 29.762 -0.139 0.000 1.395 499 H HN 0.380 nan 8.280 nan 0.000 0.530 500 A N 1.280 124.134 122.820 0.057 0.000 1.855 500 A HA -0.085 4.206 4.320 -0.048 0.000 0.215 500 A C 2.747 180.446 177.584 0.191 0.000 1.191 500 A CA 1.744 53.875 52.037 0.157 0.000 0.613 500 A CB -0.954 18.215 19.000 0.282 0.000 0.829 500 A HN 0.411 nan 8.150 nan 0.000 0.442 501 A N -0.033 122.861 122.820 0.122 0.000 1.884 501 A HA 0.008 4.299 4.320 -0.048 0.000 0.219 501 A C 2.537 180.152 177.584 0.052 0.000 1.197 501 A CA 2.764 54.866 52.037 0.108 0.000 0.637 501 A CB -1.192 17.849 19.000 0.068 0.000 0.827 501 A HN 1.190 nan 8.150 nan 0.000 0.450 502 A N -1.005 121.785 122.820 -0.050 0.000 1.930 502 A HA -0.103 4.188 4.320 -0.048 0.000 0.217 502 A C 2.261 179.813 177.584 -0.053 0.000 1.175 502 A CA 1.858 53.865 52.037 -0.051 0.000 0.627 502 A CB -0.556 18.390 19.000 -0.090 0.000 0.815 502 A HN 0.669 nan 8.150 nan 0.000 0.443 503 M N -1.813 117.719 119.600 -0.114 0.000 2.195 503 M HA -0.155 4.297 4.480 -0.048 0.000 0.260 503 M C 0.413 176.444 176.300 -0.447 0.000 1.066 503 M CA 1.820 56.919 55.300 -0.334 0.000 1.089 503 M CB -0.104 32.169 32.600 -0.545 0.000 1.377 503 M HN 0.338 nan 8.290 nan 0.000 0.411 504 F N 0.804 120.779 119.950 0.043 0.000 2.668 504 F HA 0.276 4.775 4.527 -0.047 0.000 0.301 504 F C 0.197 176.018 175.800 0.036 0.000 1.106 504 F CA -0.337 57.693 58.000 0.051 0.000 1.289 504 F CB -0.096 38.946 39.000 0.070 0.000 1.006 504 F HN 0.180 nan 8.300 nan 0.000 0.535 505 E N 1.116 121.393 120.200 0.128 0.000 2.297 505 E HA -0.220 4.102 4.350 -0.048 0.000 0.228 505 E C -0.668 175.986 176.600 0.090 0.000 1.213 505 E CA 0.139 56.589 56.400 0.083 0.000 0.712 505 E CB -1.524 28.219 29.700 0.071 0.000 1.202 505 E HN 0.381 nan 8.360 nan 0.000 0.376 506 L N 0.576 121.858 121.223 0.098 0.000 2.325 506 L HA 0.398 4.709 4.340 -0.048 0.000 0.278 506 L C 0.597 177.486 176.870 0.032 0.000 1.023 506 L CA -1.091 53.791 54.840 0.070 0.000 0.811 506 L CB 1.179 43.297 42.059 0.098 0.000 1.249 506 L HN -0.079 nan 8.230 nan 0.000 0.431 507 K N 1.626 122.018 120.400 -0.013 0.000 2.485 507 K HA 0.114 4.405 4.320 -0.048 0.000 0.277 507 K C -1.084 175.448 176.600 -0.114 0.000 0.990 507 K CA 0.596 56.831 56.287 -0.087 0.000 0.994 507 K CB 0.201 32.630 32.500 -0.118 0.000 0.906 507 K HN 0.328 nan 8.250 nan 0.000 0.488 508 Y N 2.287 122.338 120.300 -0.416 0.000 2.457 508 Y HA 0.358 4.879 4.550 -0.048 0.000 0.343 508 Y C -1.266 174.212 175.900 -0.705 0.000 0.994 508 Y CA -0.764 57.096 58.100 -0.400 0.000 1.031 508 Y CB 1.390 39.733 38.460 -0.196 0.000 1.246 508 Y HN 0.616 nan 8.280 nan 0.000 0.449 509 H N 5.090 123.657 119.070 -0.838 0.000 2.771 509 H HA 0.430 4.957 4.556 -0.048 0.000 0.361 509 H C -0.956 173.861 175.328 -0.852 0.000 1.108 509 H CA -0.920 54.726 56.048 -0.670 0.000 1.201 509 H CB 2.315 31.849 29.762 -0.379 0.000 1.681 509 H HN 0.643 nan 8.280 nan 0.000 0.534 510 R N 3.461 123.720 120.500 -0.402 0.000 3.050 510 R HA 0.220 4.531 4.340 -0.048 0.000 0.275 510 R C -2.513 173.741 176.300 -0.076 0.000 1.373 510 R CA -1.625 54.354 56.100 -0.202 0.000 1.612 510 R CB 0.285 30.545 30.300 -0.066 0.000 1.218 510 R HN 0.391 nan 8.270 nan 0.000 0.621 511 P HA -0.014 nan 4.420 nan 0.000 0.265 511 P C -0.366 176.936 177.300 0.004 0.000 1.193 511 P CA 0.157 63.234 63.100 -0.039 0.000 0.765 511 P CB 1.102 32.807 31.700 0.009 0.000 0.823 512 Q N 1.396 121.088 119.800 -0.180 0.000 2.247 512 Q HA 0.067 4.379 4.340 -0.048 0.000 0.211 512 Q C 0.198 175.676 176.000 -0.870 0.000 0.861 512 Q CA 0.132 55.782 55.803 -0.255 0.000 0.949 512 Q CB 0.264 28.916 28.738 -0.143 0.000 1.115 512 Q HN 0.662 nan 8.270 nan 0.000 0.507 513 N N -3.603 114.366 118.700 -1.218 0.000 3.364 513 N HA 0.103 4.814 4.740 -0.048 0.000 0.294 513 N C -0.770 174.004 175.510 -1.228 0.000 1.562 513 N CA -0.828 51.158 53.050 -1.773 0.000 0.862 513 N CB -0.467 37.575 38.487 -0.742 0.000 1.691 513 N HN -0.072 nan 8.380 nan 0.000 0.572 514 W N -0.366 120.661 121.300 -0.454 0.000 2.467 514 W HA 0.109 4.740 4.660 -0.048 0.000 0.275 514 W C 1.935 178.453 176.519 -0.001 0.000 1.239 514 W CA 0.300 57.626 57.345 -0.032 0.000 1.266 514 W CB -0.042 29.472 29.460 0.089 0.000 1.112 514 W HN 0.496 nan 8.180 nan 0.000 0.576 515 Q N 0.504 120.367 119.800 0.105 0.000 2.049 515 Q HA -0.159 4.152 4.340 -0.048 0.000 0.198 515 Q C 1.947 177.962 176.000 0.025 0.000 0.971 515 Q CA 1.345 57.194 55.803 0.076 0.000 0.833 515 Q CB -0.403 28.351 28.738 0.027 0.000 0.896 515 Q HN 0.379 nan 8.270 nan 0.000 0.434 516 E N 0.646 120.806 120.200 -0.066 0.000 2.130 516 E HA -0.224 4.097 4.350 -0.048 0.000 0.196 516 E C 1.974 178.543 176.600 -0.052 0.000 0.998 516 E CA 0.879 57.222 56.400 -0.094 0.000 0.806 516 E CB -0.092 29.517 29.700 -0.151 0.000 0.738 516 E HN 0.149 nan 8.360 nan 0.000 0.459 517 L N 1.459 122.702 121.223 0.033 0.000 2.017 517 L HA -0.182 4.129 4.340 -0.048 0.000 0.208 517 L C 1.838 178.883 176.870 0.293 0.000 1.073 517 L CA 1.860 56.797 54.840 0.162 0.000 0.745 517 L CB -0.154 42.087 42.059 0.303 0.000 0.894 517 L HN -0.013 nan 8.230 nan 0.000 0.432 518 E N -1.507 118.892 120.200 0.331 0.000 2.204 518 E HA -0.162 4.159 4.350 -0.048 0.000 0.194 518 E C 1.917 178.670 176.600 0.255 0.000 0.989 518 E CA 1.468 58.099 56.400 0.384 0.000 0.824 518 E CB -0.046 29.830 29.700 0.292 0.000 0.756 518 E HN 0.495 nan 8.360 nan 0.000 0.477 519 T N 0.100 114.721 114.554 0.111 0.000 2.809 519 T HA -0.036 4.285 4.350 -0.048 0.000 0.260 519 T C 1.969 176.608 174.700 -0.102 0.000 1.039 519 T CA 0.923 63.026 62.100 0.005 0.000 1.141 519 T CB -0.214 68.625 68.868 -0.050 0.000 0.869 519 T HN 0.243 nan 8.240 nan 0.000 0.437 520 A N 0.885 123.563 122.820 -0.237 0.000 1.940 520 A HA -0.154 4.137 4.320 -0.048 0.000 0.221 520 A C 1.960 179.364 177.584 -0.301 0.000 1.190 520 A CA 1.790 53.560 52.037 -0.444 0.000 0.647 520 A CB -1.111 17.631 19.000 -0.431 0.000 0.821 520 A HN 0.497 nan 8.150 nan 0.000 0.457 521 F N -0.291 119.568 119.950 -0.152 0.000 2.163 521 F HA 0.002 4.500 4.527 -0.049 0.000 0.297 521 F C 2.779 178.474 175.800 -0.175 0.000 1.094 521 F CA 0.985 58.863 58.000 -0.203 0.000 1.290 521 F CB -0.503 38.523 39.000 0.044 0.000 1.017 521 F HN 0.265 nan 8.300 nan 0.000 0.483 522 A N 0.009 122.941 122.820 0.186 0.000 1.883 522 A HA -0.300 3.991 4.320 -0.048 0.000 0.217 522 A C 1.878 179.525 177.584 0.105 0.000 1.186 522 A CA 2.163 54.312 52.037 0.186 0.000 0.624 522 A CB -1.255 17.831 19.000 0.143 0.000 0.822 522 A HN 0.422 nan 8.150 nan 0.000 0.444 523 D N -0.064 120.349 120.400 0.021 0.000 2.154 523 D HA -0.172 4.440 4.640 -0.048 0.000 0.190 523 D C 1.925 178.205 176.300 -0.034 0.000 1.003 523 D CA 2.367 56.366 54.000 -0.001 0.000 0.849 523 D CB -0.257 40.527 40.800 -0.026 0.000 0.942 523 D HN 0.375 nan 8.370 nan 0.000 0.446 524 A N -0.405 122.305 122.820 -0.183 0.000 1.933 524 A HA -0.100 4.191 4.320 -0.048 0.000 0.218 524 A C 1.963 179.424 177.584 -0.205 0.000 1.175 524 A CA 1.304 53.136 52.037 -0.343 0.000 0.628 524 A CB -1.287 17.253 19.000 -0.766 0.000 0.814 524 A HN 0.589 nan 8.150 nan 0.000 0.444 525 W N 0.344 121.717 121.300 0.122 0.000 3.204 525 W HA 0.078 4.709 4.660 -0.048 0.000 0.249 525 W C 2.232 178.803 176.519 0.085 0.000 1.322 525 W CA 0.237 57.653 57.345 0.118 0.000 1.593 525 W CB 0.144 29.691 29.460 0.146 0.000 1.122 525 W HN 0.460 nan 8.180 nan 0.000 0.710 526 R N 0.460 121.095 120.500 0.225 0.000 2.140 526 R HA 0.078 4.389 4.340 -0.048 0.000 0.213 526 R C 0.706 177.085 176.300 0.131 0.000 1.059 526 R CA 1.284 57.482 56.100 0.163 0.000 1.000 526 R CB -0.561 29.809 30.300 0.117 0.000 0.910 526 R HN 0.003 nan 8.270 nan 0.000 0.455 527 T N -1.283 113.342 114.554 0.119 0.000 2.906 527 T HA 0.427 4.748 4.350 -0.048 0.000 0.295 527 T C -2.893 171.865 174.700 0.096 0.000 1.061 527 T CA -2.366 59.789 62.100 0.093 0.000 1.000 527 T CB 2.539 71.447 68.868 0.066 0.000 1.103 527 T HN -0.119 nan 8.240 nan 0.000 0.486 528 P HA 0.239 nan 4.420 nan 0.000 0.230 528 P C -0.159 177.178 177.300 0.063 0.000 1.791 528 P CA 0.020 63.168 63.100 0.080 0.000 1.020 528 P CB -0.942 30.798 31.700 0.067 0.000 1.977 529 T N -2.333 112.258 114.554 0.060 0.000 2.865 529 T HA 0.512 4.833 4.350 -0.048 0.000 0.294 529 T C -0.350 174.365 174.700 0.024 0.000 1.119 529 T CA -0.638 61.484 62.100 0.038 0.000 1.007 529 T CB 1.240 70.126 68.868 0.030 0.000 1.225 529 T HN -0.126 nan 8.240 nan 0.000 0.515 530 T N 2.170 116.727 114.554 0.005 0.000 2.795 530 T HA 0.601 4.922 4.350 -0.048 0.000 0.282 530 T C -0.324 174.349 174.700 -0.046 0.000 0.980 530 T CA -0.362 61.727 62.100 -0.018 0.000 1.012 530 T CB 1.085 69.940 68.868 -0.021 0.000 0.936 530 T HN 0.764 nan 8.240 nan 0.000 0.457 531 T N 2.692 117.183 114.554 -0.104 0.000 2.823 531 T HA 0.462 4.783 4.350 -0.048 0.000 0.279 531 T C -0.107 174.501 174.700 -0.153 0.000 0.998 531 T CA -0.547 61.467 62.100 -0.143 0.000 0.994 531 T CB 1.232 69.969 68.868 -0.218 0.000 0.960 531 T HN 0.300 nan 8.240 nan 0.000 0.448 532 V N 4.754 124.605 119.914 -0.105 0.000 2.364 532 V HA 0.394 4.485 4.120 -0.048 0.000 0.272 532 V C -0.020 175.950 176.094 -0.207 0.000 1.036 532 V CA -0.552 61.707 62.300 -0.067 0.000 0.880 532 V CB 0.557 32.468 31.823 0.147 0.000 0.991 532 V HN 0.764 nan 8.190 nan 0.000 0.460 533 I N 4.656 125.083 120.570 -0.238 0.000 2.330 533 I HA 0.378 4.519 4.170 -0.048 0.000 0.289 533 I C 0.228 176.226 176.117 -0.199 0.000 1.001 533 I CA -0.194 60.934 61.300 -0.286 0.000 1.193 533 I CB 1.438 39.232 38.000 -0.343 0.000 1.345 533 I HN 0.640 nan 8.210 nan 0.000 0.461 534 E N 7.792 127.866 120.200 -0.210 0.000 2.081 534 E HA 0.291 4.612 4.350 -0.048 0.000 0.276 534 E C -0.786 175.794 176.600 -0.033 0.000 0.950 534 E CA -0.742 55.634 56.400 -0.040 0.000 0.776 534 E CB 0.959 30.775 29.700 0.193 0.000 1.094 534 E HN 0.475 nan 8.360 nan 0.000 0.402 535 M N 4.902 124.477 119.600 -0.042 0.000 2.135 535 M HA 0.167 4.618 4.480 -0.048 0.000 0.345 535 M C -0.899 175.390 176.300 -0.019 0.000 1.340 535 M CA -0.499 54.760 55.300 -0.068 0.000 1.162 535 M CB 1.085 33.590 32.600 -0.158 0.000 1.570 535 M HN 0.317 nan 8.290 nan 0.000 0.454 536 V N 6.163 126.093 119.914 0.027 0.000 2.408 536 V HA 0.351 4.442 4.120 -0.048 0.000 0.267 536 V C 0.327 176.428 176.094 0.012 0.000 1.047 536 V CA -0.501 61.847 62.300 0.079 0.000 0.937 536 V CB 0.870 32.787 31.823 0.157 0.000 0.999 536 V HN 0.697 nan 8.190 nan 0.000 0.472 537 V N 2.470 122.387 119.914 0.006 0.000 3.164 537 V HA 0.642 4.733 4.120 -0.048 0.000 0.313 537 V C -0.215 175.888 176.094 0.015 0.000 1.188 537 V CA -1.239 61.050 62.300 -0.019 0.000 1.058 537 V CB 2.027 33.815 31.823 -0.058 0.000 1.110 537 V HN 0.670 nan 8.190 nan 0.000 0.453 538 N N 1.127 119.831 118.700 0.007 0.000 2.529 538 N HA 0.221 4.932 4.740 -0.048 0.000 0.278 538 N C 0.566 176.084 175.510 0.013 0.000 1.146 538 N CA 0.136 53.195 53.050 0.016 0.000 0.980 538 N CB 0.768 39.263 38.487 0.014 0.000 1.124 538 N HN 0.921 nan 8.380 nan 0.000 0.458 539 D N 0.582 120.993 120.400 0.017 0.000 2.378 539 D HA -0.101 4.510 4.640 -0.048 0.000 0.227 539 D C 0.901 177.208 176.300 0.013 0.000 1.012 539 D CA 0.775 54.784 54.000 0.015 0.000 0.905 539 D CB -0.112 40.698 40.800 0.017 0.000 0.895 539 D HN 0.653 nan 8.370 nan 0.000 0.532 540 T N -3.946 110.615 114.554 0.013 0.000 3.048 540 T HA 0.009 4.330 4.350 -0.048 0.000 0.254 540 T C 1.319 176.026 174.700 0.012 0.000 0.942 540 T CA -0.120 61.987 62.100 0.012 0.000 0.931 540 T CB 0.166 69.041 68.868 0.013 0.000 1.220 540 T HN -0.254 nan 8.240 nan 0.000 0.503 541 D N 2.370 122.778 120.400 0.013 0.000 2.116 541 D HA -0.020 4.591 4.640 -0.048 0.000 0.193 541 D C 2.308 178.617 176.300 0.015 0.000 0.998 541 D CA 1.898 55.907 54.000 0.016 0.000 0.836 541 D CB -0.959 39.852 40.800 0.018 0.000 0.951 541 D HN 0.552 nan 8.370 nan 0.000 0.449 542 G N 0.830 109.635 108.800 0.010 0.000 2.553 542 G HA2 -0.274 3.657 3.960 -0.048 0.000 0.218 542 G HA3 -0.274 3.657 3.960 -0.048 0.000 0.218 542 G C 1.741 176.646 174.900 0.008 0.000 1.195 542 G CA 2.015 47.120 45.100 0.009 0.000 0.779 542 G HN 0.439 nan 8.290 nan 0.000 0.577 543 A N 0.042 122.866 122.820 0.006 0.000 1.883 543 A HA -0.164 4.127 4.320 -0.048 0.000 0.217 543 A C 2.325 179.911 177.584 0.003 0.000 1.186 543 A CA 2.292 54.331 52.037 0.003 0.000 0.624 543 A CB -0.717 18.286 19.000 0.004 0.000 0.822 543 A HN 0.486 nan 8.150 nan 0.000 0.444 544 Q N -0.961 118.843 119.800 0.007 0.000 2.014 544 Q HA -0.202 4.109 4.340 -0.048 0.000 0.207 544 Q C 2.216 178.219 176.000 0.006 0.000 0.993 544 Q CA 2.820 58.628 55.803 0.008 0.000 0.850 544 Q CB -0.412 28.334 28.738 0.013 0.000 0.916 544 Q HN 0.693 nan 8.270 nan 0.000 0.417 545 T N 1.304 115.864 114.554 0.009 0.000 2.665 545 T HA -0.211 4.110 4.350 -0.048 0.000 0.268 545 T C 1.687 176.385 174.700 -0.003 0.000 1.035 545 T CA 1.398 63.502 62.100 0.008 0.000 1.151 545 T CB -0.421 68.458 68.868 0.019 0.000 0.862 545 T HN 0.235 nan 8.240 nan 0.000 0.438 546 L N 0.958 122.178 121.223 -0.005 0.000 2.017 546 L HA -0.077 4.234 4.340 -0.048 0.000 0.208 546 L C 2.618 179.474 176.870 -0.022 0.000 1.073 546 L CA 1.861 56.692 54.840 -0.015 0.000 0.745 546 L CB -0.783 41.268 42.059 -0.014 0.000 0.894 546 L HN 0.218 nan 8.230 nan 0.000 0.432 547 Q N -1.052 118.739 119.800 -0.016 0.000 2.096 547 Q HA -0.269 4.042 4.340 -0.048 0.000 0.204 547 Q C 2.232 178.217 176.000 -0.025 0.000 0.982 547 Q CA 2.099 57.891 55.803 -0.018 0.000 0.850 547 Q CB -0.067 28.666 28.738 -0.008 0.000 0.901 547 Q HN 0.664 nan 8.270 nan 0.000 0.422 548 Q N -0.423 119.367 119.800 -0.017 0.000 2.172 548 Q HA -0.098 4.213 4.340 -0.048 0.000 0.200 548 Q C 2.022 178.001 176.000 -0.036 0.000 0.964 548 Q CA 0.913 56.705 55.803 -0.018 0.000 0.855 548 Q CB 0.113 28.849 28.738 -0.002 0.000 0.918 548 Q HN 0.382 nan 8.270 nan 0.000 0.444 549 L N 0.077 121.277 121.223 -0.037 0.000 2.072 549 L HA -0.152 4.159 4.340 -0.048 0.000 0.205 549 L C 2.234 179.065 176.870 -0.065 0.000 1.079 549 L CA 0.684 55.496 54.840 -0.046 0.000 0.752 549 L CB -0.344 41.690 42.059 -0.042 0.000 0.906 549 L HN 0.271 nan 8.230 nan 0.000 0.436 550 L N -0.277 120.906 121.223 -0.067 0.000 1.951 550 L HA -0.348 3.963 4.340 -0.048 0.000 0.222 550 L C 2.829 179.613 176.870 -0.143 0.000 1.078 550 L CA 1.824 56.615 54.840 -0.083 0.000 0.778 550 L CB -0.525 41.494 42.059 -0.067 0.000 0.893 550 L HN 0.334 nan 8.230 nan 0.000 0.436 551 A N -0.790 121.926 122.820 -0.173 0.000 1.870 551 A HA -0.389 3.902 4.320 -0.048 0.000 0.219 551 A C 2.131 179.362 177.584 -0.588 0.000 1.224 551 A CA 2.467 54.289 52.037 -0.359 0.000 0.650 551 A CB -1.063 17.831 19.000 -0.177 0.000 0.836 551 A HN 0.653 nan 8.150 nan 0.000 0.454 552 Q N -0.711 118.936 119.800 -0.255 0.000 2.012 552 Q HA -0.213 4.098 4.340 -0.048 0.000 0.211 552 Q C 2.000 177.920 176.000 -0.133 0.000 1.009 552 Q CA 2.835 58.560 55.803 -0.130 0.000 0.866 552 Q CB -0.355 28.358 28.738 -0.041 0.000 0.945 552 Q HN 0.416 nan 8.270 nan 0.000 0.414 553 V N 0.921 120.773 119.914 -0.103 0.000 2.594 553 V HA -0.221 3.870 4.120 -0.048 0.000 0.253 553 V C 2.384 178.455 176.094 -0.039 0.000 1.069 553 V CA 1.781 64.058 62.300 -0.039 0.000 1.082 553 V CB -0.625 31.196 31.823 -0.004 0.000 0.680 553 V HN 0.579 nan 8.190 nan 0.000 0.469 554 S N -0.721 114.901 115.700 -0.130 0.000 2.481 554 S HA -0.160 4.281 4.470 -0.048 0.000 0.231 554 S C 1.533 176.144 174.600 0.018 0.000 0.996 554 S CA 1.063 59.213 58.200 -0.084 0.000 0.942 554 S CB -0.667 62.448 63.200 -0.140 0.000 0.768 554 S HN 0.802 nan 8.310 nan 0.000 0.520 555 H N 0.151 119.233 119.070 0.020 0.000 2.539 555 H HA 0.417 4.944 4.556 -0.048 0.000 0.269 555 H C 0.429 175.763 175.328 0.011 0.000 0.980 555 H CA -0.537 55.520 56.048 0.015 0.000 1.152 555 H CB 0.159 29.927 29.762 0.011 0.000 1.407 555 H HN 0.325 nan 8.280 nan 0.000 0.564 556 L N 0.000 121.286 121.223 0.105 0.000 2.949 556 L HA 0.000 4.311 4.340 -0.048 0.000 0.249 556 L CA 0.000 54.875 54.840 0.059 0.000 0.813 556 L CB 0.000 42.078 42.059 0.031 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502