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 2gcu_1_D DATA FIRST_RESID 12 DATA SEQUENCE MKLLFRQLFE NESSTFTYLL ADVSHPDKPA LLIDPVDKTV DRDLKLIDEL DATA SEQUENCE GLKLIYAMNT HVHADHVTGT GLLKTKLPGV KSVISKASGS KADLFLEPGD DATA SEQUENCE KVSIGDIYLE VRATPGHTAG CVTYVTGEGA DQPQPRMAFT GDAVLIRGCG DATA SEQUENCE RTDFQEGSSD QLYESVHSQI FTLPKDTLIY PAHDYKGFEV STVGEEMQHN DATA SEQUENCE PRLTKDKETF KTIMSNLNLS YPKMIDVAVP ANMVXGL 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 12 M HA 0.000 nan 4.480 nan 0.000 0.227 12 M C 0.000 176.317 176.300 0.028 0.000 1.140 12 M CA 0.000 55.316 55.300 0.027 0.000 0.988 12 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 13 K N 3.333 123.746 120.400 0.022 0.000 2.613 13 K HA 0.619 4.939 4.320 -0.000 0.000 0.248 13 K C -1.963 174.648 176.600 0.018 0.000 0.959 13 K CA -0.816 55.485 56.287 0.024 0.000 0.855 13 K CB 1.575 34.096 32.500 0.035 0.000 1.143 13 K HN 0.966 nan 8.250 nan 0.000 0.437 14 L N 5.746 126.980 121.223 0.019 0.000 2.319 14 L HA 0.340 4.679 4.340 -0.000 0.000 0.280 14 L C -1.071 175.836 176.870 0.062 0.000 1.099 14 L CA -0.051 54.808 54.840 0.032 0.000 0.828 14 L CB 0.784 42.856 42.059 0.022 0.000 1.150 14 L HN 0.679 nan 8.230 nan 0.000 0.442 15 L N 6.092 127.357 121.223 0.070 0.000 2.282 15 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 15 L C -1.453 175.507 176.870 0.151 0.000 1.033 15 L CA -0.413 54.477 54.840 0.084 0.000 0.807 15 L CB 1.035 43.117 42.059 0.040 0.000 1.209 15 L HN 0.701 nan 8.230 nan 0.000 0.423 16 F N 5.602 125.544 119.950 -0.014 0.000 2.539 16 F HA 0.656 5.183 4.527 -0.000 0.000 0.318 16 F C -1.197 174.594 175.800 -0.014 0.000 1.135 16 F CA -0.565 57.425 58.000 -0.018 0.000 0.915 16 F CB 1.132 40.120 39.000 -0.019 0.000 1.176 16 F HN 0.376 nan 8.300 nan 0.000 0.440 17 R N 4.596 124.634 120.500 -0.769 0.000 2.628 17 R HA 0.285 4.625 4.340 -0.000 0.000 0.288 17 R C -1.390 174.409 176.300 -0.836 0.000 0.980 17 R CA -0.853 54.841 56.100 -0.675 0.000 0.891 17 R CB 2.142 32.256 30.300 -0.309 0.000 1.188 17 R HN 0.842 nan 8.270 nan 0.000 0.450 18 Q N 3.400 122.808 119.800 -0.654 0.000 2.290 18 Q HA 0.537 4.877 4.340 -0.000 0.000 0.259 18 Q C -1.114 174.737 176.000 -0.249 0.000 0.941 18 Q CA -0.495 55.031 55.803 -0.461 0.000 0.912 18 Q CB 1.048 29.614 28.738 -0.285 0.000 1.244 18 Q HN 0.498 nan 8.270 nan 0.000 0.441 19 L N 3.657 124.757 121.223 -0.205 0.000 2.362 19 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 19 L C -0.965 175.984 176.870 0.131 0.000 1.002 19 L CA -0.935 53.877 54.840 -0.046 0.000 0.818 19 L CB 1.598 43.587 42.059 -0.116 0.000 1.298 19 L HN 0.600 nan 8.230 nan 0.000 0.420 20 F N 1.882 121.814 119.950 -0.030 0.000 2.495 20 F HA 0.464 4.991 4.527 -0.000 0.000 0.327 20 F C -0.209 175.504 175.800 -0.146 0.000 1.103 20 F CA -0.388 57.561 58.000 -0.086 0.000 0.949 20 F CB 1.806 40.788 39.000 -0.030 0.000 1.142 20 F HN 0.383 nan 8.300 nan 0.000 0.457 21 E N 5.437 125.180 120.200 -0.762 0.000 2.141 21 E HA 0.105 4.455 4.350 -0.000 0.000 0.259 21 E C 0.193 176.236 176.600 -0.928 0.000 0.883 21 E CA -0.219 55.809 56.400 -0.620 0.000 0.744 21 E CB 0.673 30.083 29.700 -0.483 0.000 1.150 21 E HN 0.892 nan 8.360 nan 0.000 0.420 22 N N 4.138 122.452 118.700 -0.644 0.000 2.396 22 N HA -0.155 4.585 4.740 -0.000 0.000 0.180 22 N C 0.676 176.020 175.510 -0.277 0.000 1.028 22 N CA 0.765 53.519 53.050 -0.493 0.000 0.893 22 N CB 0.199 38.635 38.487 -0.084 0.000 0.967 22 N HN 0.440 nan 8.380 nan 0.000 0.440 23 E N 0.546 120.610 120.200 -0.226 0.000 2.072 23 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 23 E C 1.384 177.927 176.600 -0.095 0.000 0.985 23 E CA 1.708 58.037 56.400 -0.118 0.000 0.801 23 E CB 0.020 29.669 29.700 -0.085 0.000 0.750 23 E HN 0.608 nan 8.360 nan 0.000 0.452 24 S N -0.771 114.839 115.700 -0.149 0.000 2.539 24 S HA 0.136 4.606 4.470 -0.000 0.000 0.221 24 S C 0.593 175.171 174.600 -0.037 0.000 0.987 24 S CA -0.074 58.105 58.200 -0.034 0.000 0.929 24 S CB 0.681 63.898 63.200 0.027 0.000 0.832 24 S HN 0.015 nan 8.310 nan 0.000 0.492 25 S N 1.072 116.571 115.700 -0.336 0.000 3.581 25 S HA -0.135 4.335 4.470 -0.000 0.000 0.354 25 S C 0.114 174.411 174.600 -0.505 0.000 1.059 25 S CA 0.956 58.847 58.200 -0.516 0.000 1.060 25 S CB -2.401 60.699 63.200 -0.168 0.000 0.908 25 S HN 0.754 nan 8.310 nan 0.000 0.475 26 T N 1.841 116.009 114.554 -0.644 0.000 2.837 26 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 26 T C -0.047 174.299 174.700 -0.591 0.000 0.984 26 T CA -0.136 61.582 62.100 -0.637 0.000 1.049 26 T CB 0.300 68.758 68.868 -0.685 0.000 0.947 26 T HN 0.150 nan 8.240 nan 0.000 0.472 27 F N 2.054 121.837 119.950 -0.279 0.000 2.410 27 F HA 0.396 4.923 4.527 -0.000 0.000 0.349 27 F C 1.124 176.630 175.800 -0.490 0.000 1.117 27 F CA -0.747 57.068 58.000 -0.310 0.000 1.104 27 F CB 1.118 39.980 39.000 -0.232 0.000 1.122 27 F HN 0.371 nan 8.300 nan 0.000 0.483 28 T N 3.566 117.921 114.554 -0.330 0.000 2.824 28 T HA 0.482 4.832 4.350 -0.000 0.000 0.280 28 T C -1.152 173.203 174.700 -0.575 0.000 0.995 28 T CA -0.453 61.448 62.100 -0.331 0.000 1.009 28 T CB 0.573 69.312 68.868 -0.216 0.000 0.955 28 T HN 0.199 nan 8.240 nan 0.000 0.452 29 Y N 1.791 122.044 120.300 -0.078 0.000 2.364 29 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 29 Y C -0.274 175.498 175.900 -0.214 0.000 0.975 29 Y CA -1.296 56.692 58.100 -0.186 0.000 1.089 29 Y CB 1.343 39.697 38.460 -0.177 0.000 1.192 29 Y HN 0.403 nan 8.280 nan 0.000 0.454 30 L N 4.831 125.976 121.223 -0.130 0.000 2.287 30 L HA 0.689 5.029 4.340 -0.000 0.000 0.287 30 L C -1.804 175.037 176.870 -0.049 0.000 1.022 30 L CA -0.583 54.194 54.840 -0.105 0.000 0.814 30 L CB 0.685 42.666 42.059 -0.130 0.000 1.217 30 L HN 0.514 nan 8.230 nan 0.000 0.420 31 L N 5.329 126.545 121.223 -0.011 0.000 2.386 31 L HA 0.960 5.300 4.340 -0.000 0.000 0.271 31 L C -0.441 176.436 176.870 0.013 0.000 0.993 31 L CA -0.201 54.669 54.840 0.051 0.000 0.819 31 L CB 1.897 43.970 42.059 0.024 0.000 1.294 31 L HN 0.784 nan 8.230 nan 0.000 0.414 32 A N 0.985 123.820 122.820 0.025 0.000 2.549 32 A HA 0.644 4.964 4.320 -0.000 0.000 0.297 32 A C -1.651 175.932 177.584 -0.001 0.000 1.061 32 A CA -0.520 51.519 52.037 0.002 0.000 0.690 32 A CB 1.511 20.510 19.000 -0.001 0.000 1.287 32 A HN 0.560 nan 8.150 nan 0.000 0.402 33 D N 2.000 122.383 120.400 -0.029 0.000 2.428 33 D HA 0.315 4.955 4.640 -0.000 0.000 0.221 33 D C 0.979 177.276 176.300 -0.004 0.000 1.123 33 D CA 0.040 54.008 54.000 -0.054 0.000 0.869 33 D CB 1.134 41.820 40.800 -0.189 0.000 1.032 33 D HN 0.579 nan 8.370 nan 0.000 0.506 34 V N 1.891 121.818 119.914 0.022 0.000 3.646 34 V HA 0.063 4.183 4.120 -0.000 0.000 0.277 34 V C 1.427 177.562 176.094 0.068 0.000 1.274 34 V CA 0.878 63.202 62.300 0.041 0.000 1.164 34 V CB -0.518 31.323 31.823 0.030 0.000 0.926 34 V HN 0.456 nan 8.190 nan 0.000 0.442 35 S N -0.913 114.847 115.700 0.100 0.000 2.548 35 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 35 S C 0.562 175.326 174.600 0.273 0.000 0.976 35 S CA -0.129 58.164 58.200 0.155 0.000 0.908 35 S CB -0.494 62.798 63.200 0.153 0.000 0.781 35 S HN 0.679 nan 8.310 nan 0.000 0.519 36 H N 2.126 121.203 119.070 0.013 0.000 2.467 36 H HA 0.442 4.998 4.556 -0.000 0.000 0.331 36 H C -1.850 173.480 175.328 0.004 0.000 1.120 36 H CA -1.908 54.145 56.048 0.010 0.000 1.270 36 H CB 1.017 30.787 29.762 0.013 0.000 1.466 36 H HN -0.004 nan 8.280 nan 0.000 0.504 37 P HA -0.141 nan 4.420 nan 0.000 0.217 37 P C 0.383 177.701 177.300 0.030 0.000 1.148 37 P CA 1.292 64.403 63.100 0.018 0.000 0.828 37 P CB 0.439 32.128 31.700 -0.019 0.000 0.783 38 D N -1.314 119.113 120.400 0.045 0.000 2.339 38 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 38 D C 0.118 176.434 176.300 0.026 0.000 1.050 38 D CA 0.183 54.199 54.000 0.027 0.000 0.856 38 D CB -0.282 40.529 40.800 0.018 0.000 0.922 38 D HN 0.113 nan 8.370 nan 0.000 0.518 39 K N 0.838 121.267 120.400 0.050 0.000 3.451 39 K HA -0.146 4.174 4.320 -0.000 0.000 0.273 39 K C -2.527 174.078 176.600 0.008 0.000 0.944 39 K CA 0.074 56.381 56.287 0.033 0.000 0.734 39 K CB -1.118 31.393 32.500 0.019 0.000 1.437 39 K HN 0.274 nan 8.250 nan 0.000 0.454 40 P HA 0.156 nan 4.420 nan 0.000 0.271 40 P C -0.690 176.592 177.300 -0.029 0.000 1.216 40 P CA 0.066 63.151 63.100 -0.025 0.000 0.776 40 P CB 1.436 33.124 31.700 -0.021 0.000 0.881 41 A N 2.741 125.535 122.820 -0.043 0.000 2.527 41 A HA 0.814 5.134 4.320 -0.000 0.000 0.293 41 A C -1.050 176.519 177.584 -0.025 0.000 1.117 41 A CA -0.599 51.420 52.037 -0.030 0.000 0.723 41 A CB 1.188 20.168 19.000 -0.033 0.000 1.313 41 A HN 0.517 nan 8.150 nan 0.000 0.411 42 L N -1.498 119.718 121.223 -0.011 0.000 2.415 42 L HA 0.908 5.248 4.340 -0.000 0.000 0.256 42 L C -1.303 175.543 176.870 -0.040 0.000 1.010 42 L CA -0.620 54.224 54.840 0.006 0.000 0.826 42 L CB 1.304 43.401 42.059 0.063 0.000 1.405 42 L HN 0.544 nan 8.230 nan 0.000 0.410 43 L N 2.014 123.216 121.223 -0.035 0.000 2.346 43 L HA 0.639 4.979 4.340 -0.000 0.000 0.276 43 L C -0.816 176.021 176.870 -0.056 0.000 1.006 43 L CA -0.496 54.315 54.840 -0.049 0.000 0.817 43 L CB 2.043 44.082 42.059 -0.033 0.000 1.272 43 L HN 0.575 nan 8.230 nan 0.000 0.421 44 I N 2.712 123.255 120.570 -0.045 0.000 2.378 44 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 44 I C -0.675 175.517 176.117 0.125 0.000 0.992 44 I CA -0.503 60.810 61.300 0.022 0.000 1.154 44 I CB 1.485 39.467 38.000 -0.030 0.000 1.315 44 I HN 0.622 nan 8.210 nan 0.000 0.448 45 D N 4.555 125.061 120.400 0.177 0.000 2.705 45 D HA -0.109 4.531 4.640 -0.000 0.000 0.240 45 D C -2.318 173.974 176.300 -0.013 0.000 1.137 45 D CA 0.276 54.372 54.000 0.160 0.000 0.677 45 D CB -0.895 40.023 40.800 0.196 0.000 1.049 45 D HN 0.280 nan 8.370 nan 0.000 0.427 46 P HA 0.193 nan 4.420 nan 0.000 0.275 46 P C 0.033 177.296 177.300 -0.062 0.000 1.228 46 P CA -0.395 62.673 63.100 -0.055 0.000 0.786 46 P CB 1.259 32.948 31.700 -0.018 0.000 0.927 47 V N 3.202 123.033 119.914 -0.139 0.000 2.581 47 V HA 0.101 4.221 4.120 -0.000 0.000 0.303 47 V C 1.627 177.687 176.094 -0.056 0.000 1.041 47 V CA -0.318 61.899 62.300 -0.138 0.000 0.907 47 V CB 1.382 33.003 31.823 -0.337 0.000 0.994 47 V HN 0.625 nan 8.190 nan 0.000 0.442 48 D N 3.457 123.861 120.400 0.006 0.000 2.123 48 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 48 D C 1.442 177.726 176.300 -0.025 0.000 0.992 48 D CA 1.534 55.534 54.000 0.000 0.000 0.833 48 D CB -0.014 40.799 40.800 0.022 0.000 0.954 48 D HN 0.614 nan 8.370 nan 0.000 0.455 49 K N -0.319 120.056 120.400 -0.042 0.000 2.211 49 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 49 K C 1.529 178.092 176.600 -0.062 0.000 1.047 49 K CA 1.670 57.926 56.287 -0.052 0.000 0.935 49 K CB -0.266 32.193 32.500 -0.069 0.000 0.728 49 K HN 0.450 nan 8.250 nan 0.000 0.452 50 T N -2.263 112.244 114.554 -0.078 0.000 3.129 50 T HA 0.172 4.522 4.350 -0.000 0.000 0.267 50 T C 1.606 176.268 174.700 -0.064 0.000 1.018 50 T CA -0.357 61.695 62.100 -0.079 0.000 0.903 50 T CB 0.211 69.012 68.868 -0.112 0.000 1.067 50 T HN -0.184 nan 8.240 nan 0.000 0.549 51 V N 2.342 122.226 119.914 -0.050 0.000 2.282 51 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 51 V C 2.464 178.536 176.094 -0.036 0.000 1.057 51 V CA 2.153 64.430 62.300 -0.038 0.000 1.032 51 V CB -0.493 31.315 31.823 -0.025 0.000 0.645 51 V HN 0.465 nan 8.190 nan 0.000 0.447 52 D N -0.636 119.744 120.400 -0.033 0.000 2.144 52 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 52 D C 2.287 178.568 176.300 -0.032 0.000 0.978 52 D CA 1.129 55.112 54.000 -0.028 0.000 0.833 52 D CB -0.304 40.481 40.800 -0.024 0.000 0.961 52 D HN 0.357 nan 8.370 nan 0.000 0.470 53 R N 0.787 121.264 120.500 -0.038 0.000 2.073 53 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 53 R C 1.222 177.496 176.300 -0.044 0.000 1.134 53 R CA 1.586 57.662 56.100 -0.039 0.000 0.952 53 R CB 0.024 30.297 30.300 -0.045 0.000 0.850 53 R HN 0.019 nan 8.270 nan 0.000 0.433 54 D N 0.686 121.056 120.400 -0.050 0.000 2.117 54 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 54 D C 2.031 178.304 176.300 -0.045 0.000 0.987 54 D CA 1.087 55.055 54.000 -0.054 0.000 0.829 54 D CB -0.213 40.550 40.800 -0.061 0.000 0.961 54 D HN 0.286 nan 8.370 nan 0.000 0.460 55 L N 0.435 121.636 121.223 -0.038 0.000 2.093 55 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 55 L C 2.425 179.277 176.870 -0.030 0.000 1.085 55 L CA 0.909 55.730 54.840 -0.032 0.000 0.755 55 L CB -0.260 41.782 42.059 -0.028 0.000 0.904 55 L HN -0.001 nan 8.230 nan 0.000 0.435 56 K N 0.487 120.869 120.400 -0.029 0.000 2.097 56 K HA -0.217 4.103 4.320 -0.000 0.000 0.205 56 K C 2.176 178.760 176.600 -0.027 0.000 1.050 56 K CA 1.178 57.450 56.287 -0.026 0.000 0.938 56 K CB -0.024 32.462 32.500 -0.024 0.000 0.718 56 K HN 0.085 nan 8.250 nan 0.000 0.442 57 L N 1.569 122.772 121.223 -0.033 0.000 2.046 57 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 57 L C 1.977 178.826 176.870 -0.035 0.000 1.077 57 L CA 1.489 56.307 54.840 -0.036 0.000 0.747 57 L CB -0.265 41.766 42.059 -0.046 0.000 0.896 57 L HN 0.224 nan 8.230 nan 0.000 0.432 58 I N -0.290 120.259 120.570 -0.037 0.000 2.208 58 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 58 I C 2.172 178.272 176.117 -0.027 0.000 1.097 58 I CA 1.765 63.045 61.300 -0.034 0.000 1.363 58 I CB -0.357 37.621 38.000 -0.037 0.000 1.051 58 I HN 0.400 nan 8.210 nan 0.000 0.413 59 D N 0.738 121.123 120.400 -0.025 0.000 2.117 59 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 59 D C 2.075 178.364 176.300 -0.018 0.000 0.982 59 D CA 1.387 55.374 54.000 -0.021 0.000 0.828 59 D CB 0.045 40.833 40.800 -0.020 0.000 0.967 59 D HN 0.290 nan 8.370 nan 0.000 0.464 60 E N -0.527 119.662 120.200 -0.019 0.000 2.153 60 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 60 E C 1.944 178.535 176.600 -0.015 0.000 0.988 60 E CA 0.592 56.982 56.400 -0.016 0.000 0.811 60 E CB 0.003 29.693 29.700 -0.017 0.000 0.746 60 E HN 0.416 nan 8.360 nan 0.000 0.466 61 L N -0.560 120.652 121.223 -0.017 0.000 2.558 61 L HA 0.154 4.494 4.340 -0.000 0.000 0.225 61 L C 1.199 178.063 176.870 -0.011 0.000 1.128 61 L CA 0.225 55.057 54.840 -0.014 0.000 0.868 61 L CB 0.103 42.151 42.059 -0.018 0.000 1.006 61 L HN 0.218 nan 8.230 nan 0.000 0.454 62 G N 1.133 109.925 108.800 -0.013 0.000 2.221 62 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 62 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 62 G C 0.062 174.956 174.900 -0.010 0.000 1.041 62 G CA -0.009 45.085 45.100 -0.010 0.000 0.807 62 G HN 0.236 nan 8.290 nan 0.000 0.502 63 L N -0.929 120.284 121.223 -0.016 0.000 2.399 63 L HA 0.583 4.923 4.340 -0.000 0.000 0.265 63 L C 0.786 177.641 176.870 -0.025 0.000 1.089 63 L CA -0.855 53.975 54.840 -0.018 0.000 0.802 63 L CB 1.432 43.477 42.059 -0.023 0.000 1.180 63 L HN 0.118 nan 8.230 nan 0.000 0.454 64 K N 2.426 122.808 120.400 -0.029 0.000 2.389 64 K HA 0.320 4.640 4.320 -0.000 0.000 0.261 64 K C -1.076 175.486 176.600 -0.064 0.000 1.014 64 K CA -0.814 55.447 56.287 -0.043 0.000 0.920 64 K CB 1.119 33.595 32.500 -0.040 0.000 1.149 64 K HN 0.334 nan 8.250 nan 0.000 0.444 65 L N 6.566 127.749 121.223 -0.066 0.000 2.418 65 L HA 0.097 4.437 4.340 -0.000 0.000 0.274 65 L C 0.509 177.301 176.870 -0.130 0.000 1.135 65 L CA 0.324 55.117 54.840 -0.079 0.000 0.870 65 L CB 0.522 42.546 42.059 -0.058 0.000 1.154 65 L HN 0.737 nan 8.230 nan 0.000 0.462 66 I N 4.760 125.209 120.570 -0.202 0.000 3.194 66 I HA 0.131 4.301 4.170 -0.000 0.000 0.271 66 I C -0.247 175.562 176.117 -0.512 0.000 1.150 66 I CA 0.436 61.476 61.300 -0.434 0.000 1.440 66 I CB -0.624 36.976 38.000 -0.668 0.000 1.276 66 I HN 0.400 nan 8.210 nan 0.000 0.457 67 Y N 0.526 120.800 120.300 -0.044 0.000 2.477 67 Y HA 0.710 5.260 4.550 -0.000 0.000 0.347 67 Y C -0.056 175.810 175.900 -0.056 0.000 0.981 67 Y CA -1.694 56.376 58.100 -0.050 0.000 1.033 67 Y CB 1.720 40.140 38.460 -0.066 0.000 1.245 67 Y HN -0.022 nan 8.280 nan 0.000 0.455 68 A N 4.852 127.757 122.820 0.141 0.000 2.310 68 A HA 0.813 5.133 4.320 -0.000 0.000 0.304 68 A C -0.881 176.744 177.584 0.068 0.000 1.231 68 A CA -0.665 51.413 52.037 0.068 0.000 0.799 68 A CB 0.297 19.325 19.000 0.047 0.000 1.162 68 A HN 0.731 nan 8.150 nan 0.000 0.486 69 M N 1.675 121.295 119.600 0.034 0.000 2.578 69 M HA 0.408 4.888 4.480 -0.000 0.000 0.321 69 M C -0.655 175.733 176.300 0.147 0.000 1.182 69 M CA -0.453 54.869 55.300 0.038 0.000 0.965 69 M CB 2.103 34.605 32.600 -0.164 0.000 1.694 69 M HN 0.745 nan 8.290 nan 0.000 0.461 70 N N -0.429 118.417 118.700 0.245 0.000 2.314 70 N HA 0.335 5.075 4.740 -0.000 0.000 0.304 70 N C 0.622 176.385 175.510 0.422 0.000 1.073 70 N CA -0.356 52.890 53.050 0.328 0.000 0.822 70 N CB 2.088 40.710 38.487 0.226 0.000 1.280 70 N HN 0.688 nan 8.380 nan 0.000 0.489 71 T N -2.280 112.555 114.554 0.468 0.000 2.951 71 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 71 T C 0.483 175.356 174.700 0.288 0.000 1.073 71 T CA 1.075 63.408 62.100 0.388 0.000 1.134 71 T CB -0.412 68.749 68.868 0.488 0.000 0.884 71 T HN 0.730 nan 8.240 nan 0.000 0.479 72 H N -1.896 117.160 119.070 -0.024 0.000 2.917 72 H HA 0.457 5.013 4.556 -0.000 0.000 0.299 72 H C -1.767 173.390 175.328 -0.285 0.000 1.418 72 H CA -1.137 54.844 56.048 -0.111 0.000 1.138 72 H CB 0.955 30.698 29.762 -0.032 0.000 1.830 72 H HN -0.037 nan 8.280 nan 0.000 0.514 73 V N 3.136 122.944 119.914 -0.177 0.000 2.470 73 V HA 0.108 4.228 4.120 -0.000 0.000 0.276 73 V C 0.478 176.309 176.094 -0.439 0.000 1.040 73 V CA -0.135 62.014 62.300 -0.252 0.000 1.008 73 V CB -0.137 31.648 31.823 -0.064 0.000 0.990 73 V HN 0.571 nan 8.190 nan 0.000 0.477 74 H N 3.790 122.676 119.070 -0.306 0.000 2.582 74 H HA 0.358 4.914 4.556 -0.000 0.000 0.345 74 H C 0.732 175.946 175.328 -0.189 0.000 1.104 74 H CA 0.150 55.985 56.048 -0.356 0.000 1.390 74 H CB 1.768 31.144 29.762 -0.644 0.000 1.461 74 H HN 0.681 nan 8.280 nan 0.000 0.551 75 A N 1.985 124.828 122.820 0.039 0.000 2.267 75 A HA -0.040 4.280 4.320 -0.000 0.000 0.213 75 A C 1.297 178.865 177.584 -0.027 0.000 1.192 75 A CA 0.499 52.525 52.037 -0.018 0.000 0.851 75 A CB 0.213 19.188 19.000 -0.042 0.000 0.881 75 A HN 0.783 nan 8.150 nan 0.000 0.494 76 D N -1.222 119.186 120.400 0.013 0.000 2.479 76 D HA 0.102 4.742 4.640 -0.000 0.000 0.216 76 D C 0.286 176.653 176.300 0.112 0.000 1.110 76 D CA 0.550 54.581 54.000 0.053 0.000 0.841 76 D CB -0.161 40.700 40.800 0.102 0.000 1.040 76 D HN 0.668 nan 8.370 nan 0.000 0.505 77 H N -2.070 117.032 119.070 0.054 0.000 2.990 77 H HA 0.616 5.172 4.556 -0.000 0.000 0.336 77 H C -1.470 173.872 175.328 0.022 0.000 1.306 77 H CA -1.118 54.935 56.048 0.008 0.000 1.118 77 H CB 1.352 31.087 29.762 -0.045 0.000 1.856 77 H HN -0.227 nan 8.280 nan 0.000 0.538 78 V N 1.562 121.539 119.914 0.105 0.000 2.439 78 V HA 0.236 4.356 4.120 -0.000 0.000 0.282 78 V C 0.811 177.006 176.094 0.169 0.000 1.039 78 V CA -0.334 62.006 62.300 0.066 0.000 0.913 78 V CB 1.217 33.071 31.823 0.051 0.000 0.983 78 V HN 0.967 nan 8.190 nan 0.000 0.460 79 T N 3.692 118.314 114.554 0.113 0.000 2.946 79 T HA 0.141 4.491 4.350 -0.000 0.000 0.311 79 T C 1.255 176.015 174.700 0.100 0.000 1.063 79 T CA 0.571 62.764 62.100 0.155 0.000 1.139 79 T CB 0.797 69.747 68.868 0.136 0.000 0.994 79 T HN 0.973 nan 8.240 nan 0.000 0.547 80 G N 2.048 110.895 108.800 0.079 0.000 3.042 80 G HA2 0.003 3.963 3.960 -0.000 0.000 0.212 80 G HA3 0.003 3.963 3.960 -0.000 0.000 0.212 80 G C 1.518 176.438 174.900 0.033 0.000 1.166 80 G CA 0.565 45.687 45.100 0.036 0.000 0.767 80 G HN 0.890 nan 8.290 nan 0.000 0.546 81 T N -1.299 113.286 114.554 0.052 0.000 2.720 81 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 81 T C 2.445 177.164 174.700 0.032 0.000 1.037 81 T CA 1.604 63.731 62.100 0.046 0.000 1.144 81 T CB -0.517 68.389 68.868 0.063 0.000 0.864 81 T HN 0.143 nan 8.240 nan 0.000 0.444 82 G N 1.447 110.267 108.800 0.033 0.000 2.421 82 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.216 82 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.216 82 G C 1.545 176.454 174.900 0.015 0.000 1.171 82 G CA 0.653 45.767 45.100 0.023 0.000 0.775 82 G HN 0.505 nan 8.290 nan 0.000 0.543 83 L N -0.116 121.116 121.223 0.013 0.000 2.093 83 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 83 L C 2.878 179.748 176.870 0.000 0.000 1.085 83 L CA 0.481 55.324 54.840 0.005 0.000 0.755 83 L CB -0.290 41.771 42.059 0.003 0.000 0.904 83 L HN 0.176 nan 8.230 nan 0.000 0.435 84 L N -0.532 120.692 121.223 0.001 0.000 2.083 84 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 84 L C 2.542 179.408 176.870 -0.006 0.000 1.083 84 L CA 1.378 56.215 54.840 -0.005 0.000 0.752 84 L CB -0.413 41.644 42.059 -0.003 0.000 0.899 84 L HN 0.185 nan 8.230 nan 0.000 0.433 85 K N -0.826 119.574 120.400 -0.000 0.000 2.147 85 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 85 K C 2.058 178.654 176.600 -0.006 0.000 1.049 85 K CA 1.653 57.938 56.287 -0.003 0.000 0.936 85 K CB -0.165 32.336 32.500 0.002 0.000 0.722 85 K HN 0.272 nan 8.250 nan 0.000 0.446 86 T N 1.065 115.617 114.554 -0.003 0.000 2.812 86 T HA -0.064 4.286 4.350 -0.000 0.000 0.264 86 T C 1.577 176.272 174.700 -0.007 0.000 1.042 86 T CA 1.126 63.224 62.100 -0.004 0.000 1.140 86 T CB 0.030 68.897 68.868 -0.001 0.000 0.870 86 T HN 0.205 nan 8.240 nan 0.000 0.445 87 K N 0.007 120.402 120.400 -0.009 0.000 2.243 87 K HA 0.148 4.468 4.320 -0.000 0.000 0.201 87 K C -0.223 176.368 176.600 -0.015 0.000 1.051 87 K CA 0.508 56.788 56.287 -0.012 0.000 0.970 87 K CB 0.211 32.703 32.500 -0.013 0.000 0.755 87 K HN 0.128 nan 8.250 nan 0.000 0.465 88 L N 1.891 123.104 121.223 -0.017 0.000 2.457 88 L HA 0.304 4.644 4.340 -0.000 0.000 0.252 88 L C -2.702 174.154 176.870 -0.024 0.000 1.132 88 L CA -2.245 52.582 54.840 -0.022 0.000 0.938 88 L CB 1.190 43.232 42.059 -0.028 0.000 1.246 88 L HN -0.209 nan 8.230 nan 0.000 0.476 89 P HA 0.271 nan 4.420 nan 0.000 0.262 89 P C 0.929 178.212 177.300 -0.028 0.000 1.182 89 P CA 0.808 63.896 63.100 -0.020 0.000 0.761 89 P CB 0.886 32.576 31.700 -0.017 0.000 0.795 90 G N 1.593 110.375 108.800 -0.030 0.000 2.307 90 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.210 90 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.210 90 G C 0.157 175.023 174.900 -0.056 0.000 1.005 90 G CA -0.047 45.028 45.100 -0.041 0.000 0.634 90 G HN 0.679 nan 8.290 nan 0.000 0.496 91 V N 1.908 121.791 119.914 -0.052 0.000 2.740 91 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 91 V C 0.249 176.329 176.094 -0.022 0.000 1.054 91 V CA 0.270 62.535 62.300 -0.058 0.000 1.106 91 V CB 1.081 32.879 31.823 -0.042 0.000 0.957 91 V HN 0.302 nan 8.190 nan 0.000 0.486 92 K N 4.781 125.185 120.400 0.008 0.000 2.244 92 K HA 0.468 4.788 4.320 -0.000 0.000 0.260 92 K C -0.176 176.489 176.600 0.109 0.000 0.951 92 K CA -0.296 56.032 56.287 0.068 0.000 0.826 92 K CB 1.680 34.261 32.500 0.134 0.000 1.108 92 K HN 0.872 nan 8.250 nan 0.000 0.433 93 S N 0.786 116.517 115.700 0.051 0.000 2.580 93 S HA 0.448 4.918 4.470 -0.000 0.000 0.274 93 S C 0.032 174.648 174.600 0.027 0.000 1.329 93 S CA -0.717 57.512 58.200 0.048 0.000 1.036 93 S CB 0.916 64.134 63.200 0.029 0.000 0.919 93 S HN 0.251 nan 8.310 nan 0.000 0.515 94 V N 3.281 123.222 119.914 0.045 0.000 2.808 94 V HA 0.712 4.832 4.120 -0.000 0.000 0.308 94 V C -0.384 175.784 176.094 0.123 0.000 1.099 94 V CA -0.647 61.674 62.300 0.034 0.000 0.920 94 V CB 1.422 33.226 31.823 -0.031 0.000 1.014 94 V HN 1.048 nan 8.190 nan 0.000 0.425 95 I N 2.079 122.760 120.570 0.185 0.000 3.149 95 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 95 I C 0.061 176.354 176.117 0.293 0.000 1.343 95 I CA -0.337 61.112 61.300 0.249 0.000 0.955 95 I CB 2.707 40.848 38.000 0.234 0.000 1.309 95 I HN 0.818 nan 8.210 nan 0.000 0.478 96 S N 3.059 118.878 115.700 0.198 0.000 2.572 96 S HA 0.127 4.597 4.470 -0.000 0.000 0.279 96 S C 0.842 175.486 174.600 0.074 0.000 1.341 96 S CA -0.147 58.130 58.200 0.129 0.000 1.043 96 S CB 1.499 64.728 63.200 0.048 0.000 0.887 96 S HN 0.727 nan 8.310 nan 0.000 0.516 97 K N 2.730 123.129 120.400 -0.002 0.000 2.063 97 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 97 K C 2.110 178.574 176.600 -0.228 0.000 1.048 97 K CA 1.742 57.866 56.287 -0.271 0.000 0.928 97 K CB -1.016 31.388 32.500 -0.160 0.000 0.713 97 K HN 0.837 nan 8.250 nan 0.000 0.442 98 A N 0.159 122.918 122.820 -0.102 0.000 2.070 98 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 98 A C 2.052 179.596 177.584 -0.066 0.000 1.159 98 A CA 1.825 53.817 52.037 -0.076 0.000 0.656 98 A CB -0.849 18.127 19.000 -0.040 0.000 0.800 98 A HN 0.550 nan 8.150 nan 0.000 0.453 99 S N -1.397 114.271 115.700 -0.052 0.000 2.447 99 S HA 0.238 4.708 4.470 -0.000 0.000 0.233 99 S C 1.664 176.238 174.600 -0.042 0.000 1.006 99 S CA 1.277 59.465 58.200 -0.020 0.000 0.957 99 S CB -0.739 62.476 63.200 0.026 0.000 0.773 99 S HN 1.921 nan 8.310 nan 0.000 0.507 100 G N 0.693 109.430 108.800 -0.105 0.000 2.155 100 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 100 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 100 G C 0.136 175.010 174.900 -0.044 0.000 0.983 100 G CA 0.568 45.605 45.100 -0.105 0.000 0.676 100 G HN 1.008 nan 8.290 nan 0.000 0.528 101 S N -0.805 114.900 115.700 0.008 0.000 2.672 101 S HA 0.603 5.073 4.470 -0.000 0.000 0.276 101 S C 0.567 175.309 174.600 0.237 0.000 1.207 101 S CA -0.015 58.244 58.200 0.098 0.000 1.002 101 S CB 1.083 64.348 63.200 0.109 0.000 0.998 101 S HN 0.550 nan 8.310 nan 0.000 0.542 102 K N 1.119 121.649 120.400 0.216 0.000 2.326 102 K HA 0.564 4.884 4.320 -0.000 0.000 0.275 102 K C -0.549 176.174 176.600 0.205 0.000 1.018 102 K CA 0.014 56.450 56.287 0.248 0.000 0.962 102 K CB 0.419 32.996 32.500 0.129 0.000 0.953 102 K HN 0.722 nan 8.250 nan 0.000 0.475 103 A N 2.990 125.838 122.820 0.047 0.000 2.566 103 A HA 0.200 4.520 4.320 -0.000 0.000 0.290 103 A C -0.586 176.786 177.584 -0.353 0.000 1.071 103 A CA -0.757 51.203 52.037 -0.129 0.000 0.658 103 A CB 0.808 19.764 19.000 -0.073 0.000 1.285 103 A HN 0.779 nan 8.150 nan 0.000 0.427 104 D N -0.251 120.013 120.400 -0.226 0.000 2.149 104 D HA 0.082 4.722 4.640 -0.000 0.000 0.201 104 D C 0.218 176.328 176.300 -0.316 0.000 0.972 104 D CA 1.637 55.509 54.000 -0.212 0.000 0.835 104 D CB 0.058 40.809 40.800 -0.081 0.000 0.966 104 D HN 0.390 nan 8.370 nan 0.000 0.476 105 L N 0.153 121.167 121.223 -0.349 0.000 2.410 105 L HA 0.334 4.674 4.340 -0.000 0.000 0.270 105 L C -1.080 175.601 176.870 -0.315 0.000 0.983 105 L CA -0.836 53.835 54.840 -0.281 0.000 0.822 105 L CB 2.132 44.134 42.059 -0.096 0.000 1.285 105 L HN -0.291 nan 8.230 nan 0.000 0.409 106 F N 2.919 122.887 119.950 0.029 0.000 2.450 106 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 106 F C 0.052 175.867 175.800 0.026 0.000 1.093 106 F CA -0.749 57.269 58.000 0.030 0.000 1.003 106 F CB 1.495 40.511 39.000 0.027 0.000 1.151 106 F HN 0.123 nan 8.300 nan 0.000 0.474 107 L N 2.887 124.262 121.223 0.252 0.000 2.331 107 L HA 0.568 4.908 4.340 -0.000 0.000 0.275 107 L C -0.197 176.734 176.870 0.102 0.000 1.022 107 L CA -0.853 54.075 54.840 0.146 0.000 0.812 107 L CB 1.470 43.613 42.059 0.141 0.000 1.257 107 L HN 0.473 nan 8.230 nan 0.000 0.435 108 E N 1.605 121.847 120.200 0.070 0.000 2.263 108 E HA 0.435 4.785 4.350 -0.000 0.000 0.264 108 E C -2.541 174.078 176.600 0.031 0.000 0.923 108 E CA -2.158 54.266 56.400 0.040 0.000 0.802 108 E CB 1.364 31.085 29.700 0.035 0.000 1.228 108 E HN 0.230 nan 8.360 nan 0.000 0.417 109 P HA -0.014 nan 4.420 nan 0.000 0.262 109 P C 0.778 178.091 177.300 0.021 0.000 1.182 109 P CA 1.052 64.158 63.100 0.009 0.000 0.761 109 P CB 0.260 31.960 31.700 -0.000 0.000 0.795 110 G N 2.035 110.853 108.800 0.030 0.000 2.241 110 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 110 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 110 G C 0.034 174.961 174.900 0.046 0.000 0.998 110 G CA -0.182 44.940 45.100 0.037 0.000 0.621 110 G HN 0.506 nan 8.290 nan 0.000 0.519 111 D N 1.224 121.654 120.400 0.051 0.000 2.419 111 D HA 0.460 5.099 4.640 -0.000 0.000 0.236 111 D C 0.682 177.030 176.300 0.080 0.000 1.165 111 D CA 0.626 54.658 54.000 0.055 0.000 0.882 111 D CB 0.535 41.370 40.800 0.058 0.000 1.201 111 D HN 0.423 nan 8.370 nan 0.000 0.443 112 K N 0.430 120.868 120.400 0.064 0.000 2.345 112 K HA 0.498 4.818 4.320 -0.000 0.000 0.255 112 K C -1.117 175.521 176.600 0.064 0.000 0.934 112 K CA -0.885 55.464 56.287 0.103 0.000 0.801 112 K CB 2.317 34.842 32.500 0.042 0.000 1.137 112 K HN 0.072 nan 8.250 nan 0.000 0.424 113 V N 2.159 122.119 119.914 0.075 0.000 2.398 113 V HA 0.269 4.389 4.120 -0.000 0.000 0.286 113 V C -0.315 175.824 176.094 0.075 0.000 1.026 113 V CA -0.566 61.711 62.300 -0.038 0.000 0.868 113 V CB 1.539 33.257 31.823 -0.176 0.000 0.982 113 V HN 0.720 nan 8.190 nan 0.000 0.443 114 S N 5.541 121.312 115.700 0.120 0.000 2.454 114 S HA 0.737 5.207 4.470 -0.000 0.000 0.306 114 S C -0.350 174.372 174.600 0.203 0.000 1.100 114 S CA -0.463 57.838 58.200 0.168 0.000 1.087 114 S CB 1.160 64.439 63.200 0.131 0.000 1.019 114 S HN 0.663 nan 8.310 nan 0.000 0.480 115 I N 0.549 121.191 120.570 0.120 0.000 2.448 115 I HA 0.786 4.956 4.170 -0.000 0.000 0.281 115 I C 0.682 176.770 176.117 -0.049 0.000 1.027 115 I CA -0.638 60.697 61.300 0.059 0.000 1.111 115 I CB 0.614 38.641 38.000 0.045 0.000 1.236 115 I HN 0.794 nan 8.210 nan 0.000 0.452 116 G N 5.251 114.003 108.800 -0.079 0.000 2.583 116 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 116 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 116 G C 0.379 175.120 174.900 -0.266 0.000 1.203 116 G CA 0.826 45.711 45.100 -0.359 0.000 0.987 116 G HN 0.659 nan 8.290 nan 0.000 0.554 117 D N 0.725 120.853 120.400 -0.454 0.000 2.347 117 D HA 0.169 4.809 4.640 -0.000 0.000 0.213 117 D C 1.346 177.664 176.300 0.031 0.000 0.985 117 D CA 0.465 54.413 54.000 -0.086 0.000 0.879 117 D CB 0.083 40.870 40.800 -0.022 0.000 0.919 117 D HN 0.448 nan 8.370 nan 0.000 0.526 118 I N 1.061 121.620 120.570 -0.018 0.000 2.396 118 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 118 I C -0.371 175.821 176.117 0.124 0.000 0.999 118 I CA -0.887 60.423 61.300 0.018 0.000 1.310 118 I CB 0.791 38.770 38.000 -0.035 0.000 1.404 118 I HN -0.101 nan 8.210 nan 0.000 0.496 119 Y N 4.462 124.764 120.300 0.004 0.000 2.581 119 Y HA 0.804 5.354 4.550 -0.000 0.000 0.345 119 Y C -1.668 174.253 175.900 0.036 0.000 1.036 119 Y CA -1.415 56.695 58.100 0.017 0.000 1.042 119 Y CB 1.163 39.635 38.460 0.021 0.000 1.289 119 Y HN 0.263 nan 8.280 nan 0.000 0.471 120 L N 2.974 124.285 121.223 0.147 0.000 2.325 120 L HA 0.410 4.750 4.340 -0.000 0.000 0.281 120 L C -0.318 176.701 176.870 0.250 0.000 1.004 120 L CA -0.765 54.152 54.840 0.128 0.000 0.823 120 L CB 1.927 44.050 42.059 0.107 0.000 1.236 120 L HN 0.786 nan 8.230 nan 0.000 0.415 121 E N 2.533 122.869 120.200 0.227 0.000 2.316 121 E HA 0.273 4.623 4.350 -0.000 0.000 0.275 121 E C -1.123 175.587 176.600 0.184 0.000 1.029 121 E CA -0.617 55.912 56.400 0.214 0.000 0.871 121 E CB 1.420 31.222 29.700 0.170 0.000 1.022 121 E HN 0.299 nan 8.360 nan 0.000 0.418 122 V N 6.166 126.167 119.914 0.145 0.000 2.385 122 V HA 0.302 4.422 4.120 -0.000 0.000 0.269 122 V C 0.179 176.275 176.094 0.004 0.000 1.043 122 V CA -0.306 62.033 62.300 0.065 0.000 0.906 122 V CB 0.823 32.692 31.823 0.078 0.000 0.995 122 V HN 0.642 nan 8.190 nan 0.000 0.467 123 R N 3.360 123.830 120.500 -0.050 0.000 2.445 123 R HA 0.707 5.047 4.340 -0.000 0.000 0.308 123 R C -0.158 176.096 176.300 -0.076 0.000 0.961 123 R CA -0.589 55.483 56.100 -0.046 0.000 0.862 123 R CB 2.013 32.289 30.300 -0.041 0.000 1.144 123 R HN 0.770 nan 8.270 nan 0.000 0.447 124 A N 1.787 124.576 122.820 -0.052 0.000 2.396 124 A HA 0.209 4.529 4.320 -0.000 0.000 0.279 124 A C 0.506 178.055 177.584 -0.058 0.000 1.165 124 A CA -0.098 51.907 52.037 -0.053 0.000 0.824 124 A CB -0.026 18.955 19.000 -0.032 0.000 1.100 124 A HN 0.785 nan 8.150 nan 0.000 0.516 125 T N 1.284 115.798 114.554 -0.066 0.000 3.624 125 T HA 0.432 4.782 4.350 -0.000 0.000 0.244 125 T C -2.526 172.147 174.700 -0.045 0.000 1.063 125 T CA -1.299 60.760 62.100 -0.068 0.000 1.252 125 T CB 0.285 69.097 68.868 -0.092 0.000 1.021 125 T HN 0.473 nan 8.240 nan 0.000 0.590 126 P HA 0.548 nan 4.420 nan 0.000 0.272 126 P C 0.864 178.176 177.300 0.020 0.000 1.240 126 P CA 0.547 63.645 63.100 -0.002 0.000 0.791 126 P CB 1.210 32.909 31.700 -0.002 0.000 0.978 127 G N 0.296 109.123 108.800 0.045 0.000 4.077 127 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.199 127 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.199 127 G C 1.130 176.102 174.900 0.120 0.000 1.302 127 G CA 0.462 45.612 45.100 0.085 0.000 0.918 127 G HN 0.613 nan 8.290 nan 0.000 0.369 128 H N 1.955 121.035 119.070 0.017 0.000 2.321 128 H HA 0.192 4.748 4.556 -0.000 0.000 0.300 128 H C 1.552 176.898 175.328 0.030 0.000 1.087 128 H CA 3.134 59.191 56.048 0.016 0.000 1.319 128 H CB 0.010 29.737 29.762 -0.057 0.000 1.379 128 H HN 0.716 nan 8.280 nan 0.000 0.501 129 T N -4.425 110.094 114.554 -0.058 0.000 2.838 129 T HA 0.629 4.979 4.350 -0.000 0.000 0.292 129 T C 1.014 175.709 174.700 -0.009 0.000 1.113 129 T CA -0.457 61.602 62.100 -0.067 0.000 1.008 129 T CB 1.298 70.146 68.868 -0.035 0.000 1.259 129 T HN 0.206 nan 8.240 nan 0.000 0.520 130 A N -0.230 122.585 122.820 -0.009 0.000 2.167 130 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 130 A C 1.896 179.477 177.584 -0.004 0.000 1.151 130 A CA 1.018 53.051 52.037 -0.006 0.000 0.735 130 A CB -0.954 18.039 19.000 -0.012 0.000 0.802 130 A HN 1.205 nan 8.150 nan 0.000 0.467 131 G N -1.595 107.210 108.800 0.008 0.000 3.324 131 G HA2 0.292 4.252 3.960 -0.000 0.000 0.251 131 G HA3 0.292 4.252 3.960 -0.000 0.000 0.251 131 G C 0.233 175.151 174.900 0.030 0.000 1.072 131 G CA -0.039 45.069 45.100 0.013 0.000 0.787 131 G HN 0.363 nan 8.290 nan 0.000 0.537 132 C N 1.302 120.618 119.300 0.026 0.000 2.642 132 C HA 0.477 4.937 4.460 -0.000 0.000 0.420 132 C C 0.898 175.864 174.990 -0.040 0.000 1.349 132 C CA -0.758 58.268 59.018 0.013 0.000 1.821 132 C CB -0.240 27.480 27.740 -0.032 0.000 2.637 132 C HN 0.402 nan 8.230 nan 0.000 0.605 133 V N 1.453 121.314 119.914 -0.088 0.000 3.074 133 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 133 V C -0.314 175.618 176.094 -0.270 0.000 1.117 133 V CA -0.278 61.900 62.300 -0.204 0.000 1.014 133 V CB 1.968 33.605 31.823 -0.309 0.000 1.057 133 V HN 0.769 nan 8.190 nan 0.000 0.438 134 T N 2.455 116.854 114.554 -0.259 0.000 2.807 134 T HA 0.643 4.993 4.350 -0.000 0.000 0.279 134 T C -1.277 173.310 174.700 -0.188 0.000 0.993 134 T CA 0.048 62.051 62.100 -0.162 0.000 0.970 134 T CB 0.820 69.645 68.868 -0.072 0.000 0.950 134 T HN 0.602 nan 8.240 nan 0.000 0.441 135 Y N 1.909 122.309 120.300 0.167 0.000 2.326 135 Y HA 0.525 5.075 4.550 -0.000 0.000 0.337 135 Y C 0.115 176.136 175.900 0.201 0.000 1.023 135 Y CA -0.922 57.286 58.100 0.180 0.000 1.143 135 Y CB 0.878 39.457 38.460 0.199 0.000 1.183 135 Y HN 0.265 nan 8.280 nan 0.000 0.485 136 V N 2.959 123.021 119.914 0.247 0.000 2.487 136 V HA 0.328 4.448 4.120 -0.000 0.000 0.298 136 V C -0.001 176.125 176.094 0.053 0.000 1.028 136 V CA -1.305 61.059 62.300 0.107 0.000 0.860 136 V CB 1.609 33.447 31.823 0.026 0.000 0.991 136 V HN 0.874 nan 8.190 nan 0.000 0.427 137 T N 2.123 116.679 114.554 0.004 0.000 2.906 137 T HA 0.360 4.709 4.350 -0.000 0.000 0.320 137 T C 0.809 175.356 174.700 -0.254 0.000 1.088 137 T CA 0.197 62.219 62.100 -0.131 0.000 1.120 137 T CB 0.861 69.662 68.868 -0.111 0.000 1.000 137 T HN 1.081 nan 8.240 nan 0.000 0.550 138 G N 0.796 109.244 108.800 -0.586 0.000 2.594 138 G HA2 0.297 4.257 3.960 -0.000 0.000 0.243 138 G HA3 0.297 4.257 3.960 -0.000 0.000 0.243 138 G C 0.724 175.493 174.900 -0.217 0.000 1.229 138 G CA -0.355 44.349 45.100 -0.660 0.000 0.843 138 G HN 0.948 nan 8.290 nan 0.000 0.578 139 E N 0.558 120.748 120.200 -0.017 0.000 2.318 139 E HA 0.121 4.471 4.350 -0.000 0.000 0.193 139 E C 1.493 178.122 176.600 0.049 0.000 0.998 139 E CA 0.061 56.471 56.400 0.016 0.000 0.859 139 E CB -0.142 29.584 29.700 0.043 0.000 0.812 139 E HN 0.518 nan 8.360 nan 0.000 0.492 140 G N 1.294 110.173 108.800 0.132 0.000 2.341 140 G HA2 0.012 3.972 3.960 -0.000 0.000 0.231 140 G HA3 0.012 3.972 3.960 -0.000 0.000 0.231 140 G C 0.970 175.911 174.900 0.067 0.000 1.206 140 G CA 0.238 45.421 45.100 0.140 0.000 0.865 140 G HN 0.284 nan 8.290 nan 0.000 0.515 141 A N 1.701 124.555 122.820 0.055 0.000 2.024 141 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 141 A C 2.018 179.619 177.584 0.028 0.000 1.164 141 A CA 2.050 54.106 52.037 0.032 0.000 0.643 141 A CB -0.166 18.852 19.000 0.029 0.000 0.806 141 A HN 0.763 nan 8.150 nan 0.000 0.451 142 D N -0.991 119.437 120.400 0.046 0.000 2.340 142 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 142 D C 0.320 176.633 176.300 0.022 0.000 1.039 142 D CA 0.095 54.120 54.000 0.041 0.000 0.866 142 D CB -0.145 40.692 40.800 0.061 0.000 0.913 142 D HN 0.314 nan 8.370 nan 0.000 0.523 143 Q N 0.806 120.605 119.800 -0.002 0.000 2.212 143 Q HA 0.399 4.739 4.340 -0.000 0.000 0.238 143 Q C -2.327 173.635 176.000 -0.063 0.000 0.955 143 Q CA -2.066 53.702 55.803 -0.059 0.000 0.906 143 Q CB 0.302 28.959 28.738 -0.135 0.000 1.215 143 Q HN 0.029 nan 8.270 nan 0.000 0.478 144 P HA -0.044 nan 4.420 nan 0.000 0.263 144 P C -0.680 176.573 177.300 -0.077 0.000 1.175 144 P CA 0.560 63.614 63.100 -0.078 0.000 0.761 144 P CB 0.482 32.120 31.700 -0.102 0.000 0.794 145 Q N 2.937 122.700 119.800 -0.062 0.000 2.304 145 Q HA 0.387 4.726 4.340 -0.000 0.000 0.270 145 Q C -1.998 173.966 176.000 -0.060 0.000 1.035 145 Q CA -1.693 54.075 55.803 -0.059 0.000 0.781 145 Q CB 1.259 29.972 28.738 -0.042 0.000 1.261 145 Q HN 0.414 nan 8.270 nan 0.000 0.444 146 P HA 0.229 nan 4.420 nan 0.000 0.271 146 P C -0.344 176.894 177.300 -0.104 0.000 1.244 146 P CA -0.341 62.708 63.100 -0.084 0.000 0.793 146 P CB 1.073 32.717 31.700 -0.093 0.000 0.984 147 R N 0.100 120.536 120.500 -0.107 0.000 2.738 147 R HA 0.433 4.773 4.340 -0.000 0.000 0.268 147 R C 0.224 176.425 176.300 -0.166 0.000 1.062 147 R CA -0.077 55.948 56.100 -0.125 0.000 1.158 147 R CB 0.109 30.345 30.300 -0.106 0.000 1.046 147 R HN 0.492 nan 8.270 nan 0.000 0.493 148 M N 1.021 120.502 119.600 -0.198 0.000 2.326 148 M HA 0.432 4.912 4.480 -0.000 0.000 0.306 148 M C -0.953 175.103 176.300 -0.406 0.000 1.054 148 M CA -0.624 54.477 55.300 -0.332 0.000 0.922 148 M CB 2.518 34.874 32.600 -0.408 0.000 1.632 148 M HN 0.622 nan 8.290 nan 0.000 0.436 149 A N 3.102 125.635 122.820 -0.478 0.000 2.304 149 A HA 0.819 5.139 4.320 -0.000 0.000 0.314 149 A C -1.363 175.937 177.584 -0.472 0.000 1.187 149 A CA -0.492 51.344 52.037 -0.335 0.000 0.810 149 A CB 0.305 19.198 19.000 -0.178 0.000 1.183 149 A HN 0.733 nan 8.150 nan 0.000 0.487 150 F N 2.438 122.413 119.950 0.043 0.000 2.335 150 F HA 0.282 4.809 4.527 -0.000 0.000 0.365 150 F C 1.610 177.475 175.800 0.108 0.000 1.122 150 F CA 0.034 58.071 58.000 0.061 0.000 1.151 150 F CB 1.328 40.385 39.000 0.095 0.000 1.282 150 F HN 0.618 nan 8.300 nan 0.000 0.513 151 T N -0.535 114.125 114.554 0.175 0.000 3.086 151 T HA 0.441 4.791 4.350 -0.000 0.000 0.250 151 T C 1.391 176.174 174.700 0.138 0.000 1.074 151 T CA 0.137 62.295 62.100 0.097 0.000 0.988 151 T CB -0.321 68.563 68.868 0.027 0.000 0.988 151 T HN 0.835 nan 8.240 nan 0.000 0.530 152 G N 2.295 111.262 108.800 0.277 0.000 2.611 152 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.301 152 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.301 152 G C 0.145 175.181 174.900 0.226 0.000 1.233 152 G CA 0.453 45.752 45.100 0.331 0.000 0.993 152 G HN 0.440 nan 8.290 nan 0.000 0.553 153 D N 1.267 121.659 120.400 -0.012 0.000 2.363 153 D HA 0.481 5.121 4.640 -0.000 0.000 0.214 153 D C 2.201 178.372 176.300 -0.215 0.000 1.093 153 D CA 1.031 54.931 54.000 -0.166 0.000 0.837 153 D CB 0.103 40.511 40.800 -0.653 0.000 0.948 153 D HN 0.652 nan 8.370 nan 0.000 0.507 154 A N -0.062 122.689 122.820 -0.115 0.000 1.898 154 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 154 A C 1.087 178.640 177.584 -0.052 0.000 1.181 154 A CA 0.863 52.856 52.037 -0.072 0.000 0.620 154 A CB 0.320 19.272 19.000 -0.081 0.000 0.819 154 A HN 0.085 nan 8.150 nan 0.000 0.442 155 V N 0.857 120.755 119.914 -0.027 0.000 2.483 155 V HA 0.430 4.550 4.120 -0.000 0.000 0.297 155 V C -0.508 175.630 176.094 0.073 0.000 1.027 155 V CA -0.437 61.862 62.300 -0.001 0.000 0.855 155 V CB 1.459 33.258 31.823 -0.041 0.000 0.995 155 V HN 0.388 nan 8.190 nan 0.000 0.424 156 L N 4.171 125.463 121.223 0.115 0.000 2.331 156 L HA 0.617 4.957 4.340 -0.000 0.000 0.268 156 L C -0.157 176.802 176.870 0.149 0.000 1.015 156 L CA -0.999 53.948 54.840 0.178 0.000 0.807 156 L CB 1.890 44.089 42.059 0.233 0.000 1.293 156 L HN 0.445 nan 8.230 nan 0.000 0.451 157 I N 2.641 123.313 120.570 0.171 0.000 2.581 157 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 157 I C 0.265 176.438 176.117 0.093 0.000 1.129 157 I CA 0.061 61.408 61.300 0.080 0.000 1.397 157 I CB -0.096 37.947 38.000 0.072 0.000 1.399 157 I HN 0.566 nan 8.210 nan 0.000 0.537 158 R N 3.614 124.134 120.500 0.032 0.000 3.525 158 R HA -0.178 4.162 4.340 -0.000 0.000 0.276 158 R C -0.005 176.386 176.300 0.152 0.000 1.116 158 R CA 0.710 56.856 56.100 0.078 0.000 0.745 158 R CB -2.364 27.965 30.300 0.047 0.000 1.185 158 R HN 1.030 nan 8.270 nan 0.000 0.454 159 G N -2.009 106.887 108.800 0.160 0.000 2.570 159 G HA2 0.624 4.584 3.960 -0.000 0.000 0.310 159 G HA3 0.624 4.584 3.960 -0.000 0.000 0.310 159 G C -0.800 174.201 174.900 0.169 0.000 1.266 159 G CA -0.083 45.126 45.100 0.182 0.000 0.825 159 G HN 0.795 nan 8.290 nan 0.000 0.483 160 C N -1.845 117.560 119.300 0.174 0.000 3.292 160 C HA 0.891 5.351 4.460 -0.000 0.000 0.338 160 C C 0.622 175.685 174.990 0.121 0.000 1.323 160 C CA -0.055 59.049 59.018 0.144 0.000 1.232 160 C CB 1.223 29.076 27.740 0.187 0.000 1.517 160 C HN 1.846 nan 8.230 nan 0.000 0.470 161 G N 0.740 109.561 108.800 0.034 0.000 2.572 161 G HA2 0.590 4.550 3.960 -0.000 0.000 0.261 161 G HA3 0.590 4.550 3.960 -0.000 0.000 0.261 161 G C -0.007 175.009 174.900 0.193 0.000 1.197 161 G CA -0.709 44.382 45.100 -0.016 0.000 0.870 161 G HN 1.193 nan 8.290 nan 0.000 0.548 162 R N -1.424 119.229 120.500 0.255 0.000 2.679 162 R HA 0.322 4.662 4.340 -0.000 0.000 0.269 162 R C 0.312 176.780 176.300 0.280 0.000 1.076 162 R CA 0.374 56.606 56.100 0.220 0.000 1.160 162 R CB 0.321 30.719 30.300 0.162 0.000 1.054 162 R HN 0.482 nan 8.270 nan 0.000 0.507 163 T N -3.209 111.444 114.554 0.165 0.000 3.145 163 T HA 0.039 4.389 4.350 -0.000 0.000 0.281 163 T C 0.222 174.958 174.700 0.060 0.000 1.003 163 T CA -0.246 61.927 62.100 0.123 0.000 0.901 163 T CB 0.039 68.975 68.868 0.113 0.000 1.112 163 T HN 0.755 nan 8.240 nan 0.000 0.535 164 D N 0.169 120.616 120.400 0.079 0.000 2.349 164 D HA 0.211 4.850 4.640 -0.000 0.000 0.214 164 D C -0.028 176.142 176.300 -0.217 0.000 1.063 164 D CA -0.449 53.523 54.000 -0.046 0.000 0.847 164 D CB -0.169 40.596 40.800 -0.058 0.000 0.933 164 D HN 0.447 nan 8.370 nan 0.000 0.513 165 F N -0.018 119.881 119.950 -0.084 0.000 2.654 165 F HA 0.335 4.862 4.527 -0.000 0.000 0.334 165 F C 0.571 176.301 175.800 -0.117 0.000 1.078 165 F CA -1.074 56.865 58.000 -0.102 0.000 0.986 165 F CB 1.080 39.998 39.000 -0.137 0.000 1.362 165 F HN -0.299 nan 8.300 nan 0.000 0.498 166 Q N 0.511 120.382 119.800 0.118 0.000 2.453 166 Q HA -0.267 4.073 4.340 -0.000 0.000 0.294 166 Q C -0.340 175.653 176.000 -0.011 0.000 1.295 166 Q CA 1.113 56.930 55.803 0.024 0.000 0.853 166 Q CB -1.641 27.079 28.738 -0.030 0.000 1.193 166 Q HN 0.756 nan 8.270 nan 0.000 0.461 167 E N -3.333 116.858 120.200 -0.016 0.000 2.722 167 E HA -0.239 4.111 4.350 -0.000 0.000 0.265 167 E C 0.653 177.241 176.600 -0.019 0.000 1.081 167 E CA 0.458 56.843 56.400 -0.024 0.000 0.781 167 E CB -1.582 28.107 29.700 -0.018 0.000 1.372 167 E HN 0.695 nan 8.360 nan 0.000 0.423 168 G N 0.485 109.273 108.800 -0.020 0.000 2.651 168 G HA2 0.422 4.382 3.960 -0.000 0.000 0.260 168 G HA3 0.422 4.382 3.960 -0.000 0.000 0.260 168 G C -0.380 174.529 174.900 0.015 0.000 1.216 168 G CA 0.404 45.504 45.100 0.001 0.000 0.913 168 G HN 0.214 nan 8.290 nan 0.000 0.535 169 S N -1.542 114.187 115.700 0.049 0.000 2.605 169 S HA 0.358 4.828 4.470 -0.000 0.000 0.279 169 S C 0.894 175.566 174.600 0.120 0.000 1.166 169 S CA -0.018 58.217 58.200 0.058 0.000 0.975 169 S CB 1.272 64.498 63.200 0.043 0.000 1.111 169 S HN 0.484 nan 8.310 nan 0.000 0.465 170 S N 3.046 118.821 115.700 0.125 0.000 2.370 170 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 170 S C 1.524 176.337 174.600 0.354 0.000 1.033 170 S CA 1.517 59.871 58.200 0.257 0.000 1.011 170 S CB -0.401 62.836 63.200 0.062 0.000 0.852 170 S HN 0.880 nan 8.310 nan 0.000 0.457 171 D N 0.836 121.351 120.400 0.191 0.000 2.104 171 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 171 D C 2.101 178.503 176.300 0.170 0.000 0.994 171 D CA 1.196 55.291 54.000 0.158 0.000 0.830 171 D CB -0.133 40.710 40.800 0.072 0.000 0.959 171 D HN 0.472 nan 8.370 nan 0.000 0.452 172 Q N -0.251 119.626 119.800 0.128 0.000 2.084 172 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 172 Q C 2.451 178.508 176.000 0.096 0.000 0.978 172 Q CA 0.905 56.762 55.803 0.091 0.000 0.844 172 Q CB -0.114 28.661 28.738 0.062 0.000 0.898 172 Q HN 0.223 nan 8.270 nan 0.000 0.426 173 L N -0.015 121.295 121.223 0.145 0.000 2.017 173 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 173 L C 2.088 178.964 176.870 0.010 0.000 1.073 173 L CA 1.915 56.818 54.840 0.104 0.000 0.745 173 L CB -0.985 41.204 42.059 0.218 0.000 0.894 173 L HN 0.342 nan 8.230 nan 0.000 0.432 174 Y N 0.414 120.670 120.300 -0.074 0.000 2.128 174 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 174 Y C 2.509 178.372 175.900 -0.061 0.000 1.154 174 Y CA 2.203 60.179 58.100 -0.206 0.000 1.149 174 Y CB -0.010 38.341 38.460 -0.180 0.000 0.976 174 Y HN 0.291 nan 8.280 nan 0.000 0.505 175 E N -0.378 119.901 120.200 0.133 0.000 2.077 175 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 175 E C 2.404 178.980 176.600 -0.040 0.000 0.989 175 E CA 1.348 57.785 56.400 0.061 0.000 0.800 175 E CB -0.509 29.236 29.700 0.075 0.000 0.746 175 E HN 0.414 nan 8.360 nan 0.000 0.452 176 S N 0.643 116.307 115.700 -0.061 0.000 2.353 176 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 176 S C 2.285 176.755 174.600 -0.216 0.000 1.035 176 S CA 1.277 59.412 58.200 -0.107 0.000 1.025 176 S CB -0.271 62.877 63.200 -0.086 0.000 0.902 176 S HN 0.057 nan 8.310 nan 0.000 0.440 177 V N 1.639 121.344 119.914 -0.350 0.000 2.295 177 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 177 V C 2.168 177.789 176.094 -0.787 0.000 1.049 177 V CA 1.678 63.585 62.300 -0.655 0.000 1.024 177 V CB -0.744 30.527 31.823 -0.920 0.000 0.648 177 V HN 0.583 nan 8.190 nan 0.000 0.447 178 H N 0.115 118.820 119.070 -0.607 0.000 2.462 178 H HA -0.053 4.503 4.556 -0.000 0.000 0.292 178 H C 2.506 177.731 175.328 -0.172 0.000 1.049 178 H CA 1.765 57.577 56.048 -0.393 0.000 1.334 178 H CB 0.129 29.656 29.762 -0.391 0.000 1.404 178 H HN 0.629 nan 8.280 nan 0.000 0.544 179 S N -0.160 115.497 115.700 -0.071 0.000 2.456 179 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 179 S C 1.710 176.280 174.600 -0.050 0.000 1.035 179 S CA 0.169 58.350 58.200 -0.032 0.000 0.940 179 S CB 0.369 63.558 63.200 -0.018 0.000 0.799 179 S HN 0.209 nan 8.310 nan 0.000 0.508 180 Q N 0.134 119.875 119.800 -0.098 0.000 2.378 180 Q HA 0.461 4.801 4.340 -0.000 0.000 0.229 180 Q C 1.692 177.639 176.000 -0.088 0.000 0.882 180 Q CA 0.402 56.156 55.803 -0.082 0.000 0.936 180 Q CB 0.332 29.018 28.738 -0.088 0.000 1.092 180 Q HN 0.588 nan 8.270 nan 0.000 0.535 181 I N -1.376 119.110 120.570 -0.140 0.000 3.570 181 I HA 0.021 4.191 4.170 -0.000 0.000 0.270 181 I C 0.973 177.124 176.117 0.057 0.000 1.162 181 I CA 0.191 61.428 61.300 -0.105 0.000 1.413 181 I CB 0.147 38.017 38.000 -0.218 0.000 1.437 181 I HN -0.085 nan 8.210 nan 0.000 0.457 182 F N 1.877 121.702 119.950 -0.209 0.000 2.771 182 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 182 F C 2.535 178.256 175.800 -0.132 0.000 1.177 182 F CA 0.936 58.811 58.000 -0.208 0.000 1.450 182 F CB -1.442 37.365 39.000 -0.323 0.000 1.114 182 F HN 0.184 nan 8.300 nan 0.000 0.587 183 T N -3.008 111.591 114.554 0.075 0.000 3.065 183 T HA 0.170 4.520 4.350 -0.000 0.000 0.252 183 T C 0.907 175.609 174.700 0.003 0.000 1.099 183 T CA 0.106 62.222 62.100 0.027 0.000 1.063 183 T CB -0.251 68.625 68.868 0.013 0.000 0.948 183 T HN -0.021 nan 8.240 nan 0.000 0.506 184 L N 1.905 123.128 121.223 -0.001 0.000 2.464 184 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 184 L C -2.020 174.827 176.870 -0.038 0.000 1.199 184 L CA -2.425 52.401 54.840 -0.023 0.000 0.818 184 L CB -0.024 42.015 42.059 -0.034 0.000 1.102 184 L HN -0.018 nan 8.230 nan 0.000 0.473 185 P HA -0.011 nan 4.420 nan 0.000 0.266 185 P C -0.035 177.220 177.300 -0.075 0.000 1.193 185 P CA -0.028 63.038 63.100 -0.056 0.000 0.770 185 P CB 0.395 32.063 31.700 -0.054 0.000 0.836 186 K N 1.746 122.095 120.400 -0.084 0.000 2.211 186 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 186 K C 0.991 177.527 176.600 -0.106 0.000 1.047 186 K CA 1.761 57.983 56.287 -0.107 0.000 0.935 186 K CB -0.341 32.093 32.500 -0.110 0.000 0.728 186 K HN 0.631 nan 8.250 nan 0.000 0.452 187 D N 0.003 120.348 120.400 -0.093 0.000 2.349 187 D HA -0.050 4.590 4.640 -0.000 0.000 0.224 187 D C 0.097 176.328 176.300 -0.114 0.000 1.029 187 D CA 0.163 54.105 54.000 -0.096 0.000 0.879 187 D CB -0.460 40.293 40.800 -0.079 0.000 0.906 187 D HN -0.214 nan 8.370 nan 0.000 0.528 188 T N 1.601 116.085 114.554 -0.117 0.000 2.908 188 T HA 0.132 4.482 4.350 -0.000 0.000 0.301 188 T C 0.593 175.182 174.700 -0.184 0.000 1.019 188 T CA -0.152 61.865 62.100 -0.137 0.000 1.152 188 T CB 0.496 69.293 68.868 -0.118 0.000 0.966 188 T HN 0.100 nan 8.240 nan 0.000 0.540 189 L N 4.020 125.104 121.223 -0.233 0.000 2.371 189 L HA 0.450 4.790 4.340 -0.000 0.000 0.272 189 L C 0.311 176.924 176.870 -0.427 0.000 1.124 189 L CA -0.424 54.201 54.840 -0.358 0.000 0.816 189 L CB 0.467 42.283 42.059 -0.404 0.000 1.129 189 L HN 0.521 nan 8.230 nan 0.000 0.448 190 I N 2.819 123.105 120.570 -0.472 0.000 2.362 190 I HA 0.233 4.403 4.170 -0.000 0.000 0.289 190 I C -1.100 174.722 176.117 -0.492 0.000 0.994 190 I CA -0.362 60.711 61.300 -0.378 0.000 1.158 190 I CB 1.096 38.980 38.000 -0.194 0.000 1.315 190 I HN 0.404 nan 8.210 nan 0.000 0.451 191 Y N 8.187 128.314 120.300 -0.290 0.000 2.447 191 Y HA 0.368 4.918 4.550 -0.000 0.000 0.325 191 Y C -2.231 173.700 175.900 0.051 0.000 0.976 191 Y CA -2.339 55.644 58.100 -0.195 0.000 1.280 191 Y CB 1.094 39.196 38.460 -0.596 0.000 1.104 191 Y HN 0.357 nan 8.280 nan 0.000 0.486 192 P HA 0.242 nan 4.420 nan 0.000 0.281 192 P C 0.053 177.737 177.300 0.640 0.000 1.281 192 P CA -0.228 63.125 63.100 0.423 0.000 0.811 192 P CB 1.766 33.680 31.700 0.357 0.000 1.154 193 A N -0.179 122.928 122.820 0.479 0.000 2.123 193 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 193 A C 0.330 177.793 177.584 -0.202 0.000 1.152 193 A CA 1.213 53.432 52.037 0.304 0.000 0.728 193 A CB -0.920 18.289 19.000 0.349 0.000 0.814 193 A HN 0.696 nan 8.150 nan 0.000 0.464 194 H N -2.717 116.509 119.070 0.260 0.000 3.016 194 H HA 0.634 5.190 4.556 -0.000 0.000 0.362 194 H C -1.645 173.602 175.328 -0.137 0.000 1.233 194 H CA -0.676 55.309 56.048 -0.105 0.000 1.124 194 H CB 1.637 31.324 29.762 -0.125 0.000 1.850 194 H HN 0.252 nan 8.280 nan 0.000 0.549 195 D N -0.188 119.980 120.400 -0.386 0.000 2.927 195 D HA 0.236 4.875 4.640 -0.000 0.000 0.219 195 D C -1.139 174.853 176.300 -0.513 0.000 1.248 195 D CA -0.371 53.490 54.000 -0.230 0.000 0.861 195 D CB 1.066 41.989 40.800 0.205 0.000 1.677 195 D HN 0.526 nan 8.370 nan 0.000 0.511 196 Y N 1.575 121.953 120.300 0.130 0.000 2.500 196 Y HA 0.347 4.897 4.550 -0.000 0.000 0.246 196 Y C 1.273 177.165 175.900 -0.014 0.000 1.146 196 Y CA -0.403 57.738 58.100 0.069 0.000 1.230 196 Y CB 0.791 39.291 38.460 0.066 0.000 1.214 196 Y HN 0.167 nan 8.280 nan 0.000 0.526 197 K N -0.348 120.039 120.400 -0.023 0.000 2.402 197 K HA 0.355 4.675 4.320 -0.000 0.000 0.204 197 K C 1.195 177.507 176.600 -0.479 0.000 1.056 197 K CA 0.646 56.762 56.287 -0.285 0.000 1.069 197 K CB 1.076 33.264 32.500 -0.520 0.000 0.888 197 K HN 0.299 nan 8.250 nan 0.000 0.546 198 G N 1.876 110.496 108.800 -0.301 0.000 2.136 198 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 198 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 198 G C -0.151 174.654 174.900 -0.158 0.000 0.989 198 G CA -0.210 44.739 45.100 -0.252 0.000 0.682 198 G HN 0.122 nan 8.290 nan 0.000 0.522 199 F N 0.237 120.223 119.950 0.060 0.000 2.370 199 F HA 0.620 5.147 4.527 -0.000 0.000 0.324 199 F C 1.464 177.358 175.800 0.158 0.000 1.116 199 F CA -0.614 57.433 58.000 0.078 0.000 1.123 199 F CB 0.957 40.003 39.000 0.076 0.000 1.238 199 F HN 0.108 nan 8.300 nan 0.000 0.536 200 E N -0.174 120.198 120.200 0.287 0.000 2.500 200 E HA 0.259 4.609 4.350 -0.000 0.000 0.217 200 E C -0.867 175.724 176.600 -0.015 0.000 0.848 200 E CA 0.177 56.639 56.400 0.103 0.000 1.217 200 E CB 1.852 31.574 29.700 0.037 0.000 1.217 200 E HN 0.267 nan 8.360 nan 0.000 0.573 201 V N -0.263 119.619 119.914 -0.053 0.000 3.178 201 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 201 V C -1.401 174.544 176.094 -0.248 0.000 1.262 201 V CA -0.438 61.681 62.300 -0.302 0.000 1.030 201 V CB 2.291 33.847 31.823 -0.444 0.000 1.074 201 V HN 0.091 nan 8.190 nan 0.000 0.438 202 S N 1.726 117.237 115.700 -0.315 0.000 2.911 202 S HA 0.908 5.378 4.470 -0.000 0.000 0.319 202 S C -0.580 173.867 174.600 -0.256 0.000 1.154 202 S CA 0.250 58.305 58.200 -0.242 0.000 0.857 202 S CB 2.152 65.242 63.200 -0.184 0.000 1.279 202 S HN 1.505 nan 8.310 nan 0.000 0.593 203 T N -1.388 113.052 114.554 -0.191 0.000 2.883 203 T HA 0.563 4.913 4.350 -0.000 0.000 0.296 203 T C 0.896 175.508 174.700 -0.147 0.000 1.117 203 T CA -0.513 61.480 62.100 -0.178 0.000 1.006 203 T CB 0.846 69.621 68.868 -0.155 0.000 1.191 203 T HN 0.277 nan 8.240 nan 0.000 0.508 204 V N 1.733 121.566 119.914 -0.135 0.000 2.287 204 V HA -0.055 4.065 4.120 -0.000 0.000 0.248 204 V C 2.893 178.843 176.094 -0.239 0.000 1.053 204 V CA 2.749 64.970 62.300 -0.132 0.000 1.027 204 V CB -1.391 30.378 31.823 -0.091 0.000 0.646 204 V HN 1.125 nan 8.190 nan 0.000 0.447 205 G N -0.793 107.890 108.800 -0.195 0.000 2.469 205 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 205 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 205 G C 1.477 176.255 174.900 -0.204 0.000 1.150 205 G CA 1.077 46.055 45.100 -0.203 0.000 0.763 205 G HN 0.589 nan 8.290 nan 0.000 0.561 206 E N 0.014 120.129 120.200 -0.142 0.000 2.072 206 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 206 E C 2.520 179.062 176.600 -0.096 0.000 0.982 206 E CA 0.764 57.132 56.400 -0.054 0.000 0.803 206 E CB 0.005 29.677 29.700 -0.046 0.000 0.755 206 E HN 0.281 nan 8.360 nan 0.000 0.453 207 E N 0.359 120.465 120.200 -0.158 0.000 2.150 207 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 207 E C 1.927 178.305 176.600 -0.370 0.000 0.985 207 E CA 0.876 57.196 56.400 -0.135 0.000 0.814 207 E CB -0.095 29.622 29.700 0.027 0.000 0.752 207 E HN 0.362 nan 8.360 nan 0.000 0.466 208 M N 0.001 119.192 119.600 -0.682 0.000 2.374 208 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 208 M C 2.264 178.292 176.300 -0.454 0.000 1.067 208 M CA 1.186 55.970 55.300 -0.860 0.000 1.103 208 M CB 0.025 32.119 32.600 -0.843 0.000 1.402 208 M HN 0.025 nan 8.290 nan 0.000 0.444 209 Q N -0.958 118.592 119.800 -0.417 0.000 2.324 209 Q HA -0.049 4.291 4.340 -0.000 0.000 0.207 209 Q C 1.170 176.821 176.000 -0.582 0.000 0.928 209 Q CA 0.703 56.189 55.803 -0.527 0.000 0.890 209 Q CB 0.604 28.913 28.738 -0.714 0.000 1.001 209 Q HN 0.551 nan 8.270 nan 0.000 0.517 210 H N -0.944 118.072 119.070 -0.090 0.000 3.058 210 H HA 0.175 4.731 4.556 -0.000 0.000 0.266 210 H C -0.078 175.245 175.328 -0.009 0.000 1.135 210 H CA -0.264 55.756 56.048 -0.047 0.000 1.174 210 H CB 0.364 30.087 29.762 -0.065 0.000 1.581 210 H HN 0.175 nan 8.280 nan 0.000 0.553 211 N N 4.063 122.812 118.700 0.082 0.000 2.454 211 N HA -0.028 4.712 4.740 -0.000 0.000 0.260 211 N C -1.498 174.098 175.510 0.143 0.000 1.218 211 N CA -0.955 52.167 53.050 0.120 0.000 0.904 211 N CB 1.755 40.333 38.487 0.151 0.000 1.065 211 N HN 0.068 nan 8.380 nan 0.000 0.462 212 P HA -0.065 nan 4.420 nan 0.000 0.225 212 P C 0.335 177.748 177.300 0.189 0.000 1.148 212 P CA 1.277 64.469 63.100 0.153 0.000 0.779 212 P CB 0.527 32.313 31.700 0.143 0.000 0.780 213 R N -1.653 118.999 120.500 0.253 0.000 2.562 213 R HA 0.289 4.629 4.340 -0.000 0.000 0.191 213 R C 2.198 178.777 176.300 0.465 0.000 0.835 213 R CA -0.135 56.199 56.100 0.389 0.000 1.036 213 R CB -0.438 30.146 30.300 0.474 0.000 1.437 213 R HN 0.061 nan 8.270 nan 0.000 0.654 214 L N 1.778 123.177 121.223 0.293 0.000 2.551 214 L HA -0.011 4.329 4.340 -0.000 0.000 0.228 214 L C 1.870 178.924 176.870 0.307 0.000 1.153 214 L CA 1.195 56.109 54.840 0.123 0.000 0.851 214 L CB -0.193 41.827 42.059 -0.066 0.000 0.959 214 L HN 0.329 nan 8.230 nan 0.000 0.451 215 T N -4.741 109.979 114.554 0.276 0.000 3.081 215 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 215 T C 1.020 175.868 174.700 0.245 0.000 1.100 215 T CA -0.292 61.950 62.100 0.236 0.000 1.038 215 T CB 0.138 69.064 68.868 0.095 0.000 0.962 215 T HN -0.100 nan 8.240 nan 0.000 0.516 216 K N 3.149 123.722 120.400 0.289 0.000 2.149 216 K HA 0.262 4.582 4.320 -0.000 0.000 0.245 216 K C 0.214 176.963 176.600 0.249 0.000 1.024 216 K CA -0.329 56.100 56.287 0.237 0.000 0.899 216 K CB 0.283 32.928 32.500 0.241 0.000 1.038 216 K HN 0.646 nan 8.250 nan 0.000 0.496 217 D N -0.803 119.662 120.400 0.109 0.000 2.363 217 D HA 0.012 4.652 4.640 -0.000 0.000 0.240 217 D C 0.937 177.074 176.300 -0.271 0.000 1.236 217 D CA -0.363 53.628 54.000 -0.016 0.000 0.927 217 D CB 0.767 41.546 40.800 -0.034 0.000 1.150 217 D HN 0.395 nan 8.370 nan 0.000 0.458 218 K N -0.408 119.597 120.400 -0.658 0.000 2.063 218 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 218 K C 1.594 177.975 176.600 -0.364 0.000 1.048 218 K CA 1.186 56.849 56.287 -1.039 0.000 0.928 218 K CB 0.065 32.064 32.500 -0.834 0.000 0.713 218 K HN 0.408 nan 8.250 nan 0.000 0.442 219 E N -0.011 120.066 120.200 -0.205 0.000 2.072 219 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 219 E C 2.059 178.627 176.600 -0.054 0.000 0.985 219 E CA 1.376 57.715 56.400 -0.101 0.000 0.801 219 E CB -0.435 29.221 29.700 -0.074 0.000 0.750 219 E HN 0.355 nan 8.360 nan 0.000 0.452 220 T N 1.502 116.037 114.554 -0.031 0.000 2.746 220 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 220 T C 1.627 176.361 174.700 0.057 0.000 1.039 220 T CA 1.202 63.312 62.100 0.017 0.000 1.142 220 T CB -0.461 68.433 68.868 0.044 0.000 0.866 220 T HN 0.150 nan 8.240 nan 0.000 0.444 221 F N 2.272 122.186 119.950 -0.060 0.000 2.095 221 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 221 F C 2.161 177.962 175.800 0.002 0.000 1.104 221 F CA 1.325 59.333 58.000 0.013 0.000 1.232 221 F CB -0.226 38.818 39.000 0.073 0.000 0.987 221 F HN -0.028 nan 8.300 nan 0.000 0.475 222 K N -0.546 119.807 120.400 -0.078 0.000 2.057 222 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 222 K C 1.999 178.500 176.600 -0.164 0.000 1.049 222 K CA 1.919 58.114 56.287 -0.154 0.000 0.931 222 K CB -0.615 31.857 32.500 -0.046 0.000 0.714 222 K HN 0.285 nan 8.250 nan 0.000 0.440 223 T N 1.841 116.332 114.554 -0.105 0.000 2.737 223 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 223 T C 1.971 176.613 174.700 -0.096 0.000 1.038 223 T CA 1.009 63.061 62.100 -0.080 0.000 1.144 223 T CB -0.172 68.668 68.868 -0.045 0.000 0.866 223 T HN 0.121 nan 8.240 nan 0.000 0.434 224 I N 0.950 121.455 120.570 -0.109 0.000 2.163 224 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 224 I C 2.560 178.583 176.117 -0.156 0.000 1.085 224 I CA 1.120 62.360 61.300 -0.100 0.000 1.347 224 I CB -0.353 37.608 38.000 -0.065 0.000 1.044 224 I HN 0.206 nan 8.210 nan 0.000 0.408 225 M N 0.430 119.847 119.600 -0.304 0.000 2.108 225 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 225 M C 2.681 178.893 176.300 -0.146 0.000 1.066 225 M CA 2.165 57.296 55.300 -0.282 0.000 1.107 225 M CB -1.501 30.812 32.600 -0.479 0.000 1.356 225 M HN 0.419 nan 8.290 nan 0.000 0.406 226 S N 0.122 115.744 115.700 -0.130 0.000 2.423 226 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 226 S C 1.468 176.038 174.600 -0.051 0.000 1.014 226 S CA 1.034 59.188 58.200 -0.077 0.000 0.965 226 S CB -0.448 62.711 63.200 -0.069 0.000 0.785 226 S HN 0.427 nan 8.310 nan 0.000 0.495 227 N N 1.242 119.911 118.700 -0.052 0.000 2.398 227 N HA 0.294 5.034 4.740 -0.000 0.000 0.188 227 N C 0.030 175.529 175.510 -0.019 0.000 1.122 227 N CA 0.031 53.063 53.050 -0.030 0.000 0.866 227 N CB -0.332 38.139 38.487 -0.026 0.000 0.970 227 N HN 0.483 nan 8.380 nan 0.000 0.462 228 L N 1.342 122.551 121.223 -0.024 0.000 2.485 228 L HA 0.031 4.371 4.340 -0.000 0.000 0.275 228 L C 0.372 177.244 176.870 0.004 0.000 1.207 228 L CA 0.253 55.088 54.840 -0.009 0.000 0.855 228 L CB 0.234 42.287 42.059 -0.009 0.000 1.114 228 L HN -0.033 nan 8.230 nan 0.000 0.485 229 N N 5.025 123.729 118.700 0.008 0.000 2.546 229 N HA 0.494 5.234 4.740 -0.000 0.000 0.238 229 N C -0.924 174.594 175.510 0.014 0.000 0.984 229 N CA -0.191 52.867 53.050 0.014 0.000 0.935 229 N CB 1.410 39.904 38.487 0.012 0.000 1.122 229 N HN 0.395 nan 8.380 nan 0.000 0.510 230 L N 0.702 121.939 121.223 0.024 0.000 2.370 230 L HA 0.470 4.810 4.340 -0.000 0.000 0.266 230 L C 0.767 177.660 176.870 0.038 0.000 1.002 230 L CA -0.952 53.898 54.840 0.018 0.000 0.818 230 L CB 1.914 43.983 42.059 0.017 0.000 1.325 230 L HN 0.366 nan 8.230 nan 0.000 0.418 231 S N 0.145 115.858 115.700 0.022 0.000 2.614 231 S HA 0.255 4.724 4.470 -0.000 0.000 0.265 231 S C -0.482 174.158 174.600 0.067 0.000 1.303 231 S CA -0.448 57.784 58.200 0.053 0.000 1.000 231 S CB 0.631 63.850 63.200 0.032 0.000 0.935 231 S HN 0.423 nan 8.310 nan 0.000 0.551 232 Y N 2.200 122.500 120.300 0.000 0.000 2.511 232 Y HA 0.278 4.828 4.550 0.000 0.000 0.332 232 Y C -2.209 173.620 175.900 -0.119 0.000 1.177 232 Y CA -1.506 56.585 58.100 -0.016 0.000 1.422 232 Y CB -0.030 38.445 38.460 0.026 0.000 1.271 232 Y HN 0.502 nan 8.280 nan 0.000 0.550 233 P HA -0.016 nan 4.420 nan 0.000 0.260 233 P C -0.064 177.125 177.300 -0.185 0.000 1.185 233 P CA 0.427 63.226 63.100 -0.502 0.000 0.763 233 P CB 0.610 31.805 31.700 -0.843 0.000 0.776 234 K N 2.197 122.548 120.400 -0.082 0.000 2.211 234 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 234 K C 1.316 177.925 176.600 0.015 0.000 1.047 234 K CA 1.521 57.810 56.287 0.002 0.000 0.935 234 K CB -0.109 32.384 32.500 -0.012 0.000 0.728 234 K HN 0.376 nan 8.250 nan 0.000 0.452 235 M N -0.658 118.928 119.600 -0.023 0.000 2.268 235 M HA 0.223 4.703 4.480 -0.000 0.000 0.355 235 M C 1.067 177.358 176.300 -0.015 0.000 0.938 235 M CA 0.109 55.406 55.300 -0.005 0.000 1.025 235 M CB 0.633 33.231 32.600 -0.003 0.000 1.773 235 M HN 0.007 nan 8.290 nan 0.000 0.613 236 I N 0.316 120.851 120.570 -0.060 0.000 2.335 236 I HA -0.323 3.847 4.170 -0.000 0.000 0.251 236 I C 0.969 177.090 176.117 0.007 0.000 1.129 236 I CA 1.667 62.921 61.300 -0.077 0.000 1.402 236 I CB 0.087 37.941 38.000 -0.244 0.000 1.069 236 I HN 0.278 nan 8.210 nan 0.000 0.424 237 D N -0.382 120.054 120.400 0.059 0.000 2.317 237 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 237 D C 2.087 178.414 176.300 0.044 0.000 0.966 237 D CA 0.870 54.914 54.000 0.073 0.000 0.876 237 D CB 0.481 41.345 40.800 0.106 0.000 0.927 237 D HN 0.305 nan 8.370 nan 0.000 0.519 238 V N 0.960 120.892 119.914 0.031 0.000 2.581 238 V HA 0.020 4.140 4.120 -0.000 0.000 0.240 238 V C 2.470 178.572 176.094 0.013 0.000 1.054 238 V CA 1.162 63.475 62.300 0.022 0.000 1.076 238 V CB -0.251 31.583 31.823 0.019 0.000 0.748 238 V HN 0.084 nan 8.190 nan 0.000 0.474 239 A N 0.159 122.980 122.820 0.003 0.000 1.873 239 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 239 A C 2.369 179.944 177.584 -0.014 0.000 1.186 239 A CA 2.063 54.092 52.037 -0.013 0.000 0.616 239 A CB -0.685 18.294 19.000 -0.034 0.000 0.823 239 A HN 0.277 nan 8.150 nan 0.000 0.442 240 V N 0.609 120.518 119.914 -0.008 0.000 2.261 240 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 240 V C -0.163 175.938 176.094 0.011 0.000 1.047 240 V CA 2.514 64.813 62.300 -0.002 0.000 1.015 240 V CB -1.474 30.354 31.823 0.008 0.000 0.642 240 V HN 0.380 nan 8.190 nan 0.000 0.446 241 P HA -0.155 nan 4.420 nan 0.000 0.215 241 P C 1.650 178.963 177.300 0.022 0.000 1.153 241 P CA 2.057 65.170 63.100 0.023 0.000 0.853 241 P CB -0.149 31.566 31.700 0.025 0.000 0.788 242 A N -0.278 122.553 122.820 0.018 0.000 1.898 242 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 242 A C 2.096 179.694 177.584 0.023 0.000 1.181 242 A CA 1.794 53.844 52.037 0.020 0.000 0.620 242 A CB -1.397 17.614 19.000 0.018 0.000 0.819 242 A HN 0.121 nan 8.150 nan 0.000 0.442 243 N N -0.370 118.339 118.700 0.015 0.000 2.331 243 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 243 N C 1.477 177.007 175.510 0.033 0.000 1.019 243 N CA 1.050 54.112 53.050 0.020 0.000 0.881 243 N CB -0.332 38.151 38.487 -0.007 0.000 0.972 243 N HN 0.358 nan 8.380 nan 0.000 0.435 244 M N 0.613 120.231 119.600 0.030 0.000 2.460 244 M HA 0.013 4.493 4.480 -0.000 0.000 0.263 244 M C 0.877 177.210 176.300 0.055 0.000 1.071 244 M CA 0.474 55.798 55.300 0.041 0.000 1.096 244 M CB -0.617 32.002 32.600 0.031 0.000 1.408 244 M HN -0.067 nan 8.290 nan 0.000 0.463 248 L N 0.000 121.240 121.223 0.028 0.000 2.949 248 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 248 L CA 0.000 54.853 54.840 0.022 0.000 0.813 248 L CB 0.000 42.072 42.059 0.021 0.000 0.961 248 L HN 0.000 nan 8.230 nan 0.000 0.502